| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 37.8 | Very low | 47.4 | Very low | 149 Ų | 149 | 108.7 Ų | 108.7 | 73% | 0.734 | 58% | 0.577 | S | S | * | * | 0 | 76.9 | 0 | -62.8 | 178.4 | -173.4 | 0 | 0 | 111.6 | E135 | M1-E135 VanDerWaalsContact CA-OE1 3.27Å; M1-E135 WeakPolarHBondContact CA-OE1 3.26Å; M1-E135 WeakPolarHBondContact CA-OE2 3.23Å; M1-E135 WeakPolarHBondContact CG-OE2 3.32Å; M1-E135 VanDerWaalsContact N-CD 3.33Å; M1-E135 PolarHBondContact N-OE1 3.3Å; M1-E135 PolarHBondContact N-OE2 3.37Å | |||
| 2 | P | 41.1 | Very low | 47.1 | Very low | 99 Ų | 99 | 112.8 Ų | 112.8 | 64% | 0.643 | 60% | 0.599 | S | S | * | * | trans | -72.3 | -16.4 | 159.9 | 33.6 | -31.2 | 0 | 0 | 0 | 111.4 | P4 E135 | P2-P4 VanDerWaalsContact C-CD 3.49Å; P2-P4 WeakPolarHBondContact O-CD 3.27Å; P2-E135 WeakPolarHBondContact CD-OE1 3.45Å; P2-E135 HydrophobicContact CG-CG 4.27Å | ||
| 3 | F | 53.5 | Low | 47.3 | Very low | 91 Ų | 91 | 109.8 Ų | 109.8 | 40% | 0.399 | 58% | 0.578 | S | S | . | * | S | Bend | trans | -101.4 | 87.4 | 162.8 | -60.2 | -73.8 | 0 | 0 | 0 | 109.1 | E135 | F3-E135 HydrophobicContact CD2-CB 4.46Š|
| 4 | P | 49.5 | Very low | 47.4 | Very low | 94 Ų | 94 | 114.6 Ų | 114.6 | 61% | 0.61 | 60% | 0.596 | S | S | * | * | trans | -62.6 | 151.7 | 163.8 | 29.1 | -34.5 | 0 | 0 | 0 | 109.6 | P2 | P2-P4 VanDerWaalsContact C-CD 3.49Å; P2-P4 WeakPolarHBondContact O-CD 3.27Å | ||
| 5 | E | 54.3 | Low | 47.3 | Very low | 58 Ų | 58 | 114.7 Ų | 114.7 | 27% | 0.271 | 61% | 0.606 | S | S | . | * | trans | -56.3 | 136.4 | 163 | -77.1 | -168 | 102.6 | 0 | 0 | 108.9 | I7 Y46 G48 L49 | E5-I7 VanDerWaalsContact C-N 3.29Å; E5-I7 PolarHBondContact O-N 2.96Å; E5-Y46 HydrophobicContact CG-CE1 4.5Å; E5-G48 VanDerWaalsContact OE1-C 3.3Å; E5-G48 WeakPolarHBondContact OE1-CA 3.44Å; E5-L49 PolarHBondContact OE1-N 2.96Å | ||
| 6 | P | 48.9 | Very low | 47.4 | Very low | 108 Ų | 108 | 111.6 Ų | 111.6 | 70% | 0.701 | 60% | 0.597 | S | S | * | * | trans | -69.5 | 89.6 | 173.6 | 28.4 | -33.4 | 0 | 0 | 0 | 109.5 | P8 | P6-P8 WeakPolarHBondContact O-CD 3.46Š| ||
| 7 | I | 49.3 | Very low | 47.7 | Very low | 143 Ų | 143 | 113.9 Ų | 113.9 | 73% | 0.733 | 62% | 0.616 | S | S | * | * | trans | -62.6 | 124.9 | 168.6 | -57.2 | 174.7 | 0 | 0 | 0 | 107.2 | E5 S9 | E5-I7 VanDerWaalsContact C-N 3.29Å; E5-I7 PolarHBondContact O-N 2.96Å; I7-S9 PolarHBondContact O-N 3.18Å | ||
| 8 | P | 46.2 | Very low | 48.1 | Very low | 37 Ų | 37 | 109.5 Ų | 109.5 | 24% | 0.24 | 60% | 0.602 | C | S | . | * | trans | -60.9 | 100.4 | -177.2 | -26.8 | 36.4 | 0 | 0 | 0 | 112.6 | P6 Y10 | P6-P8 WeakPolarHBondContact O-CD 3.46Å; P8-Y10 PolarHBondContact O-N 3.09Å | ||
| 9 | S | 43.6 | Very low | 48.5 | Very low | 108 Ų | 108 | 109.3 Ų | 109.3 | 76% | 0.755 | 61% | 0.606 | S | S | * | * | trans | -82.9 | 105.1 | 177.4 | 55.3 | 0 | 0 | 0 | 0 | 110.2 | I7 | I7-S9 PolarHBondContact O-N 3.18Š| ||
| 10 | Y | 48.4 | Very low | 49 | Very low | 210 Ų | 210 | 110 Ų | 110 | 82% | 0.824 | 62% | 0.619 | S | S | * | * | trans | 70.9 | 125.4 | -177.3 | -81.1 | -101.8 | 0 | 0 | 0 | 116.7 | P8 D12 | P8-Y10 PolarHBondContact O-N 3.09Å; Y10-D12 VanDerWaalsContact C-N 3.32Å; Y10-D12 PolarHBondContact O-N 3.16Å; Y10-D12 VanDerWaalsContact O-N 3.13Å | ||
| 11 | F | 48.6 | Very low | 50.1 | Low | 99 Ų | 99 | 109.5 Ų | 109.5 | 43% | 0.434 | 61% | 0.608 | S | S | . | * | trans | -84.5 | 63.3 | 176.3 | -79.5 | -87 | 0 | 0 | 0 | 112 | F13 F57 I64 | F11-F13 HydrophobicContact CB-CD2 4.45Å; F11-F13 AromaticContact CD1-CD2 3.75Å; F11-F13 HydrophobicContact CD1-CD2 3.75Å; F11-F13 HydrophobicContact CD1-CE2 4.09Å; F11-F13 PolarHBondContact O-N 2.72Å; F11-F57 HydrophobicContact CE1-CB 3.88Å; F11-F57 AromaticContact CE1-CD2 3.4Å; F11-F57 HydrophobicContact CE1-CD2 3.4Å; F11-F57 HydrophobicContact CE1-CE2 4.21Å; F11-F57 AromaticContact CE1-CG 3.9Å; F11-F57 HydrophobicContact CE1-CG 3.9Å; F11-F57 AromaticContact CZ-CD2 3.52Å; F11-F57 HydrophobicContact CZ-CD2 3.52Å; F11-F57 AromaticContact CZ-CE2 3.87Å; F11-F57 HydrophobicContact CZ-CE2 3.87Å; F11-F57 HydrophobicContact CZ-CG 4.41Å; F11-I64 HydrophobicContact CD1-CD1 4.45Å | ||
| 12 | D | 44.6 | Very low | 52 | Low | 157 Ų | 157 | 109.4 Ų | 109.4 | 84% | 0.84 | 61% | 0.606 | S | S | * | * | trans | -77.5 | 47.2 | 169.3 | -98.4 | -8 | 0 | 0 | 0 | 111.9 | Y10 Q14 | Y10-D12 VanDerWaalsContact C-N 3.32Å; Y10-D12 PolarHBondContact O-N 3.16Å; Y10-D12 VanDerWaalsContact O-N 3.13Å; D12-Q14 PolarHBondContact O-N 3.16Å | ||
| 13 | F | 49.4 | Very low | 54.1 | Low | 75 Ų | 75 | 105.4 Ų | 105.4 | 33% | 0.329 | 58% | 0.578 | S | S | . | * | trans | -80.5 | 104.1 | 173 | -81.4 | -83.7 | 0 | 0 | 0 | 110.2 | F11 E54 R58 | F11-F13 HydrophobicContact CB-CD2 4.45Å; F11-F13 AromaticContact CD1-CD2 3.75Å; F11-F13 HydrophobicContact CD1-CD2 3.75Å; F11-F13 HydrophobicContact CD1-CE2 4.09Å; F11-F13 PolarHBondContact O-N 2.72Å; F13-E54 HydrophobicContact CE2-CG 4.15Å; F13-E54 HydrophobicContact CZ-CG 3.57Å; F13-R58 HydrophobicContact CD1-CB 4.35Å; F13-R58 HydrophobicContact CD1-CG 4.35Å; F13-R58 HydrophobicContact CE1-CB 3.79Å; F13-R58 HydrophobicContact CE1-CG 3.82Å; F13-R58 HydrophobicContact CZ-CB 4.43Å | ||
| 14 | Q | 48.6 | Very low | 55.5 | Low | 177 Ų | 177 | 111 Ų | 111 | 83% | 0.827 | 60% | 0.597 | S | S | * | * | trans | -55.2 | 128.5 | 156 | -70 | -167.4 | -8.4 | 0 | 0 | 108.3 | D12 S16 | D12-Q14 PolarHBondContact O-N 3.16Å; Q14-S16 PolarHBondContact O-N 2.82Å | ||
| 15 | P | 45.5 | Very low | 57.3 | Low | 116 Ų | 116 | 108.6 Ų | 108.6 | 75% | 0.753 | 58% | 0.582 | S | S | * | * | trans | -70.6 | 94.3 | -175.5 | 27.4 | -34.2 | 0 | 0 | 0 | 110.1 | ||||
| 16 | S | 48.5 | Very low | 58.9 | Low | 65 Ų | 65 | 108.4 Ų | 108.4 | 46% | 0.455 | 58% | 0.582 | S | S | . | * | trans | -58.7 | 143.6 | 169.2 | 54.1 | 0 | 0 | 0 | 0 | 109.7 | Q14 G18 R58 | Q14-S16 PolarHBondContact O-N 2.82Å; S16-G18 PolarHBondContact O-N 2.95Å; S16-R58 PolarHBondContact OG-O 3.31Å | ||
| 17 | T | 52.3 | Low | 60.8 | Low | 150 Ų | 150 | 107.7 Ų | 107.7 | 92% | 0.92 | 57% | 0.569 | S | S | * | * | trans | -76.7 | 64.3 | -176.4 | 54.2 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 18 | G | 55.2 | Low | 62.7 | Low | 35 Ų | 35 | 102.6 Ų | 102.6 | 36% | 0.361 | 54% | 0.544 | S | S | . | . | trans | -70.1 | 156.5 | 169.5 | 0 | 0 | 0 | 0 | 0 | 112 | S16 | S16-G18 PolarHBondContact O-N 2.95Š| ||
| 19 | P | 55.8 | Low | 64.8 | Low | 106 Ų | 106 | 100.9 Ų | 100.9 | 69% | 0.688 | 53% | 0.533 | S | S | * | . | trans | -62.3 | 139.6 | 175.4 | 27.6 | -34.3 | 0 | 0 | 0 | 110.6 | Y21 | P19-Y21 PolarHBondContact O-N 3.26Š| ||
| 20 | S | 59.3 | Low | 67 | Low | 122 Ų | 122 | 97 Ų | 97 | 85% | 0.853 | 50% | 0.503 | S | S | * | . | trans | -74.1 | 70.8 | -175.8 | 61.2 | 0 | 0 | 0 | 0 | 112.5 | Q22 | S20-Q22 PolarHBondContact O-N 2.72Š| ||
| 21 | Y | 72.1 | Confident | 69.1 | Low | 100 Ų | 100 | 91.2 Ų | 91.2 | 39% | 0.392 | 49% | 0.487 | S | S | . | . | trans | -69.8 | 119.9 | 173.4 | -165.3 | -90.6 | 0 | 0 | 0 | 109.8 | P19 F23 D28 V32 Y60 S62 | P19-Y21 PolarHBondContact O-N 3.26Å; Y21-F23 AromaticContact CD1-CD1 3.82Å; Y21-F23 HydrophobicContact CD1-CD1 3.82Å; Y21-F23 HydrophobicContact CD1-CD2 4.12Å; Y21-F23 AromaticContact CD1-CE1 3.64Å; Y21-F23 HydrophobicContact CD1-CE1 3.64Å; Y21-F23 AromaticContact CD1-CE2 3.94Å; Y21-F23 HydrophobicContact CD1-CE2 3.94Å; Y21-F23 HydrophobicContact CD1-CG 4.06Å; Y21-F23 AromaticContact CD1-CZ 3.71Å; Y21-F23 HydrophobicContact CD1-CZ 3.71Å; Y21-F23 AromaticContact CE1-CD1 3.65Å; Y21-F23 HydrophobicContact CE1-CD1 3.65Å; Y21-F23 AromaticContact CE1-CE1 3.64Å; Y21-F23 HydrophobicContact CE1-CE1 3.64Å; Y21-F23 HydrophobicContact CE1-CG 4.21Å; Y21-F23 HydrophobicContact CE1-CZ 4.19Å; Y21-D28 HydrophobicContact CE1-CB 4.31Å; Y21-V32 HydrophobicContact CE1-CG2 4.48Å; Y21-Y60 HydrophobicContact CG-CD1 4.32Å; Y21-Y60 HydrophobicContact CG-CE1 4.45Å; Y21-S62 WeakPolarHBondContact O-CB 3.03Å; Y21-S62 PolarHBondContact O-OG 3.23Å | ||
| 22 | Q | 77.7 | Confident | 71.2 | Confident | 147 Ų | 147 | 86.8 Ų | 86.8 | 69% | 0.687 | 47% | 0.468 | S | S | * | . | trans | -102.2 | 95.5 | -177.8 | -171.9 | -178.6 | 21.4 | 0 | 0 | 109.8 | S20 R24 | S20-Q22 PolarHBondContact O-N 2.72Å; Q22-R24 PolarHBondContact O-N 3.35Å | ||
| 23 | F | 84.4 | Confident | 73.4 | Confident | 15 Ų | 15 | 79.4 Ų | 79.4 | 7% | 0.066 | 43% | 0.428 | C | S | . | . | trans | -58.5 | 128.7 | 171.6 | -58.8 | -83.1 | 0 | 0 | 0 | 110.4 | Y21 D28 V29 V32 Y60 S62 A63 F66 | Y21-F23 AromaticContact CD1-CD1 3.82Å; Y21-F23 HydrophobicContact CD1-CD1 3.82Å; Y21-F23 HydrophobicContact CD1-CD2 4.12Å; Y21-F23 AromaticContact CD1-CE1 3.64Å; Y21-F23 HydrophobicContact CD1-CE1 3.64Å; Y21-F23 AromaticContact CD1-CE2 3.94Å; Y21-F23 HydrophobicContact CD1-CE2 3.94Å; Y21-F23 HydrophobicContact CD1-CG 4.06Å; Y21-F23 AromaticContact CD1-CZ 3.71Å; Y21-F23 HydrophobicContact CD1-CZ 3.71Å; Y21-F23 AromaticContact CE1-CD1 3.65Å; Y21-F23 HydrophobicContact CE1-CD1 3.65Å; Y21-F23 AromaticContact CE1-CE1 3.64Å; Y21-F23 HydrophobicContact CE1-CE1 3.64Å; Y21-F23 HydrophobicContact CE1-CG 4.21Å; Y21-F23 HydrophobicContact CE1-CZ 4.19Å; F23-D28 HydrophobicContact CD1-CB 3.82Å; F23-V29 HydrophobicContact CB-CG2 4.37Å; F23-V29 HydrophobicContact CD1-CB 4.31Å; F23-V29 HydrophobicContact CD1-CG2 3.53Å; F23-V29 HydrophobicContact CE1-CB 4.38Å; F23-V29 HydrophobicContact CE1-CG2 3.99Å; F23-V29 HydrophobicContact CG-CG2 4.03Å; F23-V32 HydrophobicContact CE1-CB 4.29Å; F23-V32 HydrophobicContact CE1-CG2 3.92Å; F23-V32 HydrophobicContact CZ-CG2 4.38Å; F23-Y60 HydrophobicContact CZ-CD1 4.25Å; F23-Y60 HydrophobicContact CZ-CG 4.2Å; F23-S62 WeakPolarHBondContact CE2-OG 3.38Å; F23-A63 HydrophobicContact CD2-CB 4.29Å; F23-A63 HydrophobicContact CE2-CB 3.66Å; F23-A63 HydrophobicContact CZ-CB 4.02Å; F23-F66 HydrophobicContact CB-CB 3.98Å; F23-F66 HydrophobicContact CB-CD1 4.13Å; F23-F66 HydrophobicContact CB-CD2 3.73Å; F23-F66 HydrophobicContact CB-CE2 4.29Å; F23-F66 HydrophobicContact CB-CG 3.65Å; F23-F66 WeakPolarHBondContact O-CD2 3.28Å | ||
| 24 | R | 83.9 | Confident | 75.4 | Confident | 209 Ų | 209 | 79.4 Ų | 79.4 | 79% | 0.789 | 43% | 0.429 | S | S | * | . | trans | -112.6 | -30.2 | 178.8 | -56 | 178.6 | 178.8 | -177 | -2 | 111.5 | Q22 D28 | Q22-R24 PolarHBondContact O-N 3.35Å; R24-D28 WeakPolarHBondContact CA-OD2 3.4Å; R24-D28 WeakPolarHBondContact CB-OD2 3.47Å; R24-D28 PolarHBondContact N-OD2 3.17Å | ||
| 25 | S | 87.6 | Confident | 77.5 | Confident | 43 Ų | 43 | 77.2 Ų | 77.2 | 30% | 0.301 | 42% | 0.421 | S | S | . | . | S | Bend | trans | -131.9 | 161.8 | -179.2 | 87.5 | 0 | 0 | 0 | 0 | 111.5 | E27 D28 F66 | S25-E27 PolarHBondContact O-N 2.71Å; S25-E27 WeakPolarHBondContact OG-CB 3.4Å; S25-E27 PolarHBondContact OG-N 3.42Å; S25-E27 VanDerWaalsContact OG-N 3.1Å; S25-D28 PolarHBondContact N-OD2 2.91Å; S25-D28 WeakPolarHBondContact O-CB 3.33Å; S25-D28 PolarHBondContact O-N 3.12Å; S25-D28 VanDerWaalsContact OG-CG 3.24Å; S25-D28 PolarHBondContact OG-N 3.08Å; S25-D28 VanDerWaalsContact OG-N 3.09Å; S25-D28 PolarHBondContact OG-OD1 3.31Å; S25-F66 WeakPolarHBondContact O-CZ 3.29Å |
| 26 | I | 87.6 | Confident | 79.8 | Confident | 55 Ų | 55 | 72 Ų | 72 | 28% | 0.282 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -65.8 | -27 | 170.3 | -172.5 | 58.2 | 0 | 0 | 0 | 111.7 | D28 V29 N30 F66 I70 M72 I77 | I26-D28 VanDerWaalsContact C-N 3.27Å; I26-D28 PolarHBondContact O-N 3.21Å; I26-V29 HydrophobicContact CD1-CB 4.21Å; I26-V29 HydrophobicContact CD1-CG2 4.35Å; I26-V29 WeakPolarHBondContact O-CB 3.3Å; I26-V29 PolarHBondContact O-N 3.4Å; I26-V29 VanDerWaalsContact O-N 3.16Å; I26-N30 WeakPolarHBondContact O-CB 3.34Å; I26-N30 PolarHBondContact O-N 3Å; I26-F66 HydrophobicContact CD1-CE1 4.45Å; I26-I70 HydrophobicContact CD1-CD1 4.1Å; I26-M72 HydrophobicContact CD1-CE 3.6Å; I26-M72 HydrophobicContact CD1-SD 4.49Å; I26-M72 HydrophobicContact CG1-CE 4.36Å; I26-I77 HydrophobicContact CD1-CG1 4.35Å; I26-I77 HydrophobicContact CD1-CG2 4.15Å |
| 27 | E | 87.9 | Confident | 81.9 | Confident | 92 Ų | 92 | 68.9 Ų | 68.9 | 43% | 0.43 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -66.6 | -30.4 | 177.1 | -162.3 | 51.4 | -126.6 | 0 | 0 | 111.7 | S25 V29 N30 N31 | S25-E27 PolarHBondContact O-N 2.71Å; S25-E27 WeakPolarHBondContact OG-CB 3.4Å; S25-E27 PolarHBondContact OG-N 3.42Å; S25-E27 VanDerWaalsContact OG-N 3.1Å; E27-V29 VanDerWaalsContact C-N 3.32Å; E27-V29 PolarHBondContact O-N 3.27Å; E27-N30 WeakPolarHBondContact O-CB 3.43Å; E27-N30 PolarHBondContact O-N 3.17Å; E27-N30 PolarHBondContact OE1-ND2 2.78Å; E27-N30 PolarHBondContact OE2-ND2 3.03Å; E27-N31 PolarHBondContact O-N 3.49Å; E27-N31 PolarHBondContact O-ND2 3.44Å; E27-N31 PolarHBondContact OE1-ND2 2.71Å; E27-N31 VanDerWaalsContact OE1-ND2 3.1Å |
| 28 | D | 89.7 | Confident | 83.7 | Confident | 37 Ų | 37 | 69.2 Ų | 69.2 | 20% | 0.198 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -63.6 | -40.4 | 174 | -51 | -5.3 | 0 | 0 | 0 | 110.5 | Y21 F23 R24 S25 I26 V32 | Y21-D28 HydrophobicContact CE1-CB 4.31Å; F23-D28 HydrophobicContact CD1-CB 3.82Å; R24-D28 WeakPolarHBondContact CA-OD2 3.4Å; R24-D28 WeakPolarHBondContact CB-OD2 3.47Å; R24-D28 PolarHBondContact N-OD2 3.17Å; S25-D28 PolarHBondContact N-OD2 2.91Å; S25-D28 WeakPolarHBondContact O-CB 3.33Å; S25-D28 PolarHBondContact O-N 3.12Å; S25-D28 VanDerWaalsContact OG-CG 3.24Å; S25-D28 PolarHBondContact OG-N 3.08Å; S25-D28 VanDerWaalsContact OG-N 3.09Å; S25-D28 PolarHBondContact OG-OD1 3.31Å; I26-D28 VanDerWaalsContact C-N 3.27Å; I26-D28 PolarHBondContact O-N 3.21Å; D28-V32 WeakPolarHBondContact O-CG2 3.41Å; D28-V32 PolarHBondContact O-N 3.04Å |
| 29 | V | 89.9 | Confident | 85.5 | Confident | 0 Ų | 0 | 71 Ų | 71 | 0% | 0 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -69.7 | -40.3 | 174.4 | -170.7 | 0 | 0 | 0 | 0 | 110.5 | F23 I26 E27 N31 V32 I33 L56 F66 I77 | F23-V29 HydrophobicContact CB-CG2 4.37Å; F23-V29 HydrophobicContact CD1-CB 4.31Å; F23-V29 HydrophobicContact CD1-CG2 3.53Å; F23-V29 HydrophobicContact CE1-CB 4.38Å; F23-V29 HydrophobicContact CE1-CG2 3.99Å; F23-V29 HydrophobicContact CG-CG2 4.03Å; I26-V29 HydrophobicContact CD1-CB 4.21Å; I26-V29 HydrophobicContact CD1-CG2 4.35Å; I26-V29 WeakPolarHBondContact O-CB 3.3Å; I26-V29 PolarHBondContact O-N 3.4Å; I26-V29 VanDerWaalsContact O-N 3.16Å; E27-V29 VanDerWaalsContact C-N 3.32Å; E27-V29 PolarHBondContact O-N 3.27Å; V29-N31 PolarHBondContact O-N 2.86Å; V29-V32 PolarHBondContact O-N 2.67Å; V29-I33 HydrophobicContact CG1-CD1 4.38Å; V29-I33 WeakPolarHBondContact O-CG1 3.33Å; V29-I33 PolarHBondContact O-N 3.26Å; V29-L56 HydrophobicContact CG1-CD2 4.23Å; V29-F66 HydrophobicContact CG2-CD1 3.65Å; V29-F66 HydrophobicContact CG2-CE1 3.83Å; V29-I77 HydrophobicContact CG1-CD1 4.03Å; V29-I77 HydrophobicContact CG1-CG2 4.25Å |
| 30 | N | 91.1 | Very high | 87.2 | Confident | 26 Ų | 26 | 66 Ų | 66 | 14% | 0.139 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -57.9 | -46.7 | 178.7 | -156 | 52.6 | 0 | 0 | 0 | 111.6 | I26 E27 I33 Q34 R79 | I26-N30 WeakPolarHBondContact O-CB 3.34Å; I26-N30 PolarHBondContact O-N 3Å; E27-N30 WeakPolarHBondContact O-CB 3.43Å; E27-N30 PolarHBondContact O-N 3.17Å; E27-N30 PolarHBondContact OE1-ND2 2.78Å; E27-N30 PolarHBondContact OE2-ND2 3.03Å; N30-I33 PolarHBondContact O-N 3.38Å; N30-Q34 PolarHBondContact O-N 3.46Å; N30-R79 WeakPolarHBondContact OD1-CB 3.43Å; N30-R79 PolarHBondContact OD1-N 3.32Å |
| 31 | N | 91.4 | Very high | 88.6 | Confident | 90 Ų | 90 | 60.7 Ų | 60.7 | 48% | 0.481 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -66.7 | -40.3 | 176.2 | -79.1 | -83.5 | 0 | 0 | 0 | 112.6 | E27 V29 Q34 M35 | E27-N31 PolarHBondContact O-N 3.49Å; E27-N31 PolarHBondContact O-ND2 3.44Å; E27-N31 PolarHBondContact OE1-ND2 2.71Å; E27-N31 VanDerWaalsContact OE1-ND2 3.1Å; V29-N31 PolarHBondContact O-N 2.86Å; N31-Q34 PolarHBondContact O-N 3.2Å; N31-M35 PolarHBondContact O-N 2.96Å |
| 32 | V | 91.7 | Very high | 89.3 | Confident | 6 Ų | 6 | 61 Ų | 61 | 4% | 0.036 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -64.4 | -40.1 | 174.7 | 170.2 | 0 | 0 | 0 | 0 | 111.3 | Y21 F23 D28 V29 M35 L36 L56 Y60 | Y21-V32 HydrophobicContact CE1-CG2 4.48Å; F23-V32 HydrophobicContact CE1-CB 4.29Å; F23-V32 HydrophobicContact CE1-CG2 3.92Å; F23-V32 HydrophobicContact CZ-CG2 4.38Å; D28-V32 WeakPolarHBondContact O-CG2 3.41Å; D28-V32 PolarHBondContact O-N 3.04Å; V29-V32 PolarHBondContact O-N 2.67Å; V32-M35 PolarHBondContact O-N 3.36Å; V32-L36 HydrophobicContact CG1-CD1 3.83Å; V32-L36 HydrophobicContact CG1-CG 4.36Å; V32-L36 VanDerWaalsContact O-CG 3.27Å; V32-L36 WeakPolarHBondContact O-CG 3.39Å; V32-L36 PolarHBondContact O-N 3.21Å; V32-L56 HydrophobicContact CB-CD1 4.5Å; V32-L56 HydrophobicContact CG1-CD1 3.63Å; V32-Y60 HydrophobicContact CG1-CD2 3.56Å; V32-Y60 HydrophobicContact CG1-CE1 4.39Å; V32-Y60 HydrophobicContact CG1-CE2 3.43Å; V32-Y60 VanDerWaalsContact CG1-CE2 3.43Å; V32-Y60 HydrophobicContact CG1-CG 4.12Å; V32-Y60 HydrophobicContact CG2-CE1 4.44Å |
| 33 | I | 92.5 | Very high | 89.9 | Confident | 1 Ų | 1 | 58 Ų | 58 | 1% | 0.005 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -62.4 | -42.3 | 173.3 | -73.9 | -175.3 | 0 | 0 | 0 | 111.3 | V29 N30 M35 L36 L37 I52 L56 I77 R79 L80 | V29-I33 HydrophobicContact CG1-CD1 4.38Å; V29-I33 WeakPolarHBondContact O-CG1 3.33Å; V29-I33 PolarHBondContact O-N 3.26Å; N30-I33 PolarHBondContact O-N 3.38Å; I33-M35 VanDerWaalsContact C-N 3.32Å; I33-M35 PolarHBondContact O-N 3.19Å; I33-L36 PolarHBondContact O-N 2.64Å; I33-L36 VanDerWaalsContact O-N 3.15Å; I33-L37 HydrophobicContact CG2-CD1 4Å; I33-L37 HydrophobicContact CG2-CG 4.27Å; I33-L37 WeakPolarHBondContact O-CB 3.41Å; I33-L37 WeakPolarHBondContact O-CG 3.4Å; I33-L37 PolarHBondContact O-N 3.14Å; I33-I52 HydrophobicContact CG2-CG2 4.06Å; I33-L56 HydrophobicContact CD1-CD2 4.15Å; I33-L56 HydrophobicContact CG1-CD2 4.17Å; I33-I77 HydrophobicContact CD1-CB 4.13Å; I33-I77 HydrophobicContact CD1-CD1 3.73Å; I33-I77 HydrophobicContact CD1-CG2 3.73Å; I33-R79 HydrophobicContact CG2-CB 4.27Å; I33-R79 HydrophobicContact CG2-CG 4.28Å; I33-L80 HydrophobicContact CD1-CB 4.13Å |
| 34 | Q | 91.7 | Very high | 90.2 | Very high | 76 Ų | 76 | 61.4 Ų | 61.4 | 36% | 0.355 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -62.2 | -38.3 | 176.2 | -174.1 | 65.2 | -1.5 | 0 | 0 | 112.4 | N30 N31 W38 | N30-Q34 PolarHBondContact O-N 3.46Å; N31-Q34 PolarHBondContact O-N 3.2Å; Q34-W38 PolarHBondContact O-N 3.02Å |
| 35 | M | 91.8 | Very high | 90.4 | Very high | 130 Ų | 130 | 55.2 Ų | 55.2 | 64% | 0.64 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -66 | -39.1 | 172.1 | -72.1 | -174.5 | 66.4 | 0 | 0 | 112.8 | N31 V32 I33 W38 K39 | N31-M35 PolarHBondContact O-N 2.96Å; V32-M35 PolarHBondContact O-N 3.36Å; I33-M35 VanDerWaalsContact C-N 3.32Å; I33-M35 PolarHBondContact O-N 3.19Å; M35-W38 PolarHBondContact O-N 2.79Å; M35-K39 WeakPolarHBondContact O-CB 3.39Å; M35-K39 PolarHBondContact O-N 2.92Å |
| 36 | L | 93 | Very high | 90.6 | Very high | 6 Ų | 6 | 54.9 Ų | 54.9 | 3% | 0.031 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -70.6 | -40.9 | 179.2 | -71.3 | 167.1 | 0 | 0 | 0 | 112.3 | V32 I33 W38 K39 V40 E55 L56 | V32-L36 HydrophobicContact CG1-CD1 3.83Å; V32-L36 HydrophobicContact CG1-CG 4.36Å; V32-L36 VanDerWaalsContact O-CG 3.27Å; V32-L36 WeakPolarHBondContact O-CG 3.39Å; V32-L36 PolarHBondContact O-N 3.21Å; I33-L36 PolarHBondContact O-N 2.64Å; I33-L36 VanDerWaalsContact O-N 3.15Å; L36-W38 VanDerWaalsContact C-N 3.29Å; L36-W38 PolarHBondContact O-N 2.75Å; L36-K39 PolarHBondContact O-N 2.75Å; L36-V40 WeakPolarHBondContact O-CB 3.49Å; L36-V40 VanDerWaalsContact O-CG2 3.29Å; L36-V40 WeakPolarHBondContact O-CG2 2.82Å; L36-V40 PolarHBondContact O-N 2.97Å; L36-E55 HydrophobicContact CD2-CB 4.15Å; L36-L56 VanDerWaalsContact CD1-CA 3.47Å; L36-L56 HydrophobicContact CD1-CB 3.72Å; L36-L56 HydrophobicContact CD1-CD1 3.96Å; L36-L56 HydrophobicContact CD1-CG 4.47Å |
| 37 | L | 93 | Very high | 90.8 | Very high | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -53.9 | -48 | 171.4 | -76.3 | 169.8 | 0 | 0 | 0 | 110.9 | I33 S41 I52 R79 H83 | I33-L37 HydrophobicContact CG2-CD1 4Å; I33-L37 HydrophobicContact CG2-CG 4.27Å; I33-L37 WeakPolarHBondContact O-CB 3.41Å; I33-L37 WeakPolarHBondContact O-CG 3.4Å; I33-L37 PolarHBondContact O-N 3.14Å; L37-S41 WeakPolarHBondContact O-CB 3.28Å; L37-S41 PolarHBondContact O-N 3.12Å; L37-S41 VanDerWaalsContact O-N 3.11Å; L37-I52 HydrophobicContact CD2-CD1 3.84Å; L37-I52 HydrophobicContact CD2-CG1 3.77Å; L37-I52 HydrophobicContact CG-CD1 4.35Å; L37-R79 HydrophobicContact CD1-CG 3.95Å; L37-H83 HydrophobicContact CD1-CB 4.39Å; L37-H83 HydrophobicContact CD2-CB 4.47Å; L37-H83 WeakPolarHBondContact CD2-NE2 3.34Å |
| 38 | W | 90.8 | Very high | 90.8 | Very high | 157 Ų | 157 | 48 Ų | 48 | 60% | 0.595 | 22% | 0.22 | S | C | * | . | H | α-helix | trans | -66 | -46.8 | 177.5 | -164.3 | 81.2 | 0 | 0 | 0 | 112.2 | Q34 M35 L36 V40 S41 Q42 | Q34-W38 PolarHBondContact O-N 3.02Å; M35-W38 PolarHBondContact O-N 2.79Å; L36-W38 VanDerWaalsContact C-N 3.29Å; L36-W38 PolarHBondContact O-N 2.75Å; W38-V40 PolarHBondContact O-N 3.49Å; W38-S41 WeakPolarHBondContact O-CB 3.11Å; W38-S41 PolarHBondContact O-N 3.18Å; W38-Q42 HydrophobicContact CD2-CG 3.94Å; W38-Q42 HydrophobicContact CE3-CG 3.91Å; W38-Q42 HydrophobicContact CH2-CG 3.85Å; W38-Q42 HydrophobicContact CZ2-CG 3.87Å; W38-Q42 HydrophobicContact CZ3-CG 3.87Å; W38-Q42 WeakPolarHBondContact O-CG 3.45Å; W38-Q42 PolarHBondContact O-N 3.39Å |
| 39 | K | 91.8 | Very high | 90.8 | Very high | 74 Ų | 74 | 46.8 Ų | 46.8 | 32% | 0.322 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -57.2 | -52.2 | 178.1 | 177.8 | -176 | 167.5 | -177.3 | 0 | 112.2 | M35 L36 S41 Q42 E43 H59 | M35-K39 WeakPolarHBondContact O-CB 3.39Å; M35-K39 PolarHBondContact O-N 2.92Å; L36-K39 PolarHBondContact O-N 2.75Å; K39-S41 VanDerWaalsContact C-N 3.3Å; K39-S41 PolarHBondContact O-N 3.34Å; K39-Q42 PolarHBondContact O-N 3.12Å; K39-Q42 VanDerWaalsContact O-N 3.17Å; K39-E43 WeakPolarHBondContact CE-OE1 3.38Å; K39-E43 WeakPolarHBondContact CG-OE1 3.22Å; K39-E43 IonicContact NZ-OE1 3.34Å; K39-E43 WeakPolarHBondContact O-CG 3.36Å; K39-E43 PolarHBondContact O-N 3.47Å; K39-H59 PolarHBondContact NZ-CE1 3.33Å; K39-H59 PolarHBondContact NZ-NE2 3.18Å |
| 40 | V | 92.1 | Very high | 90.6 | Very high | 1 Ų | 1 | 47.1 Ų | 47.1 | 1% | 0.006 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -67.2 | -33.7 | -176.4 | 176.8 | 0 | 0 | 0 | 0 | 111.1 | L36 W38 E43 R45 T47 I52 E55 | L36-V40 WeakPolarHBondContact O-CB 3.49Å; L36-V40 VanDerWaalsContact O-CG2 3.29Å; L36-V40 WeakPolarHBondContact O-CG2 2.82Å; L36-V40 PolarHBondContact O-N 2.97Å; W38-V40 PolarHBondContact O-N 3.49Å; V40-E43 PolarHBondContact O-N 2.79Å; V40-R45 HydrophobicContact CG1-CB 3.7Å; V40-R45 PolarHBondContact O-N 3.42Å; V40-R45 VanDerWaalsContact O-N 3.15Å; V40-T47 HydrophobicContact CB-CG2 3.97Å; V40-T47 HydrophobicContact CG1-CG2 3.82Å; V40-I52 HydrophobicContact CB-CD1 4.12Å; V40-I52 HydrophobicContact CG1-CD1 4.41Å; V40-I52 HydrophobicContact CG2-CD1 4.09Å; V40-E55 HydrophobicContact CG2-CG 3.95Å |
| 41 | S | 89.8 | Confident | 90.5 | Very high | 9 Ų | 9 | 47.1 Ų | 47.1 | 6% | 0.063 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -61 | -47.8 | 168.7 | 159.9 | 0 | 0 | 0 | 0 | 112.7 | L37 W38 K39 E43 H44 R122 | L37-S41 WeakPolarHBondContact O-CB 3.28Å; L37-S41 PolarHBondContact O-N 3.12Å; L37-S41 VanDerWaalsContact O-N 3.11Å; W38-S41 WeakPolarHBondContact O-CB 3.11Å; W38-S41 PolarHBondContact O-N 3.18Å; K39-S41 VanDerWaalsContact C-N 3.3Å; K39-S41 PolarHBondContact O-N 3.34Å; S41-E43 PolarHBondContact O-N 3.43Å; S41-H44 WeakPolarHBondContact O-CA 3.32Å; S41-H44 PolarHBondContact O-N 2.92Å; S41-R122 WeakPolarHBondContact CB-O 3.21Å; S41-R122 PolarHBondContact OG-O 2.86Å |
| 42 | Q | 87.1 | Confident | 90.5 | Very high | 106 Ų | 106 | 42.9 Ų | 42.9 | 50% | 0.495 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -65.6 | -23.2 | 177.3 | -66.2 | -54.5 | -81.1 | 0 | 0 | 113.2 | W38 K39 H44 | W38-Q42 HydrophobicContact CD2-CG 3.94Å; W38-Q42 HydrophobicContact CE3-CG 3.91Å; W38-Q42 HydrophobicContact CH2-CG 3.85Å; W38-Q42 HydrophobicContact CZ2-CG 3.87Å; W38-Q42 HydrophobicContact CZ3-CG 3.87Å; W38-Q42 WeakPolarHBondContact O-CG 3.45Å; W38-Q42 PolarHBondContact O-N 3.39Å; K39-Q42 PolarHBondContact O-N 3.12Å; K39-Q42 VanDerWaalsContact O-N 3.17Å; Q42-H44 PolarHBondContact O-N 2.92Å |
| 43 | E | 89.4 | Confident | 90.3 | Very high | 84 Ų | 84 | 43.6 Ų | 43.6 | 39% | 0.393 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | 8.5 | 170.8 | -67 | 170.3 | -170.6 | 0 | 0 | 113.1 | K39 V40 S41 R45 | K39-E43 WeakPolarHBondContact CE-OE1 3.38Å; K39-E43 WeakPolarHBondContact CG-OE1 3.22Å; K39-E43 IonicContact NZ-OE1 3.34Å; K39-E43 WeakPolarHBondContact O-CG 3.36Å; K39-E43 PolarHBondContact O-N 3.47Å; V40-E43 PolarHBondContact O-N 2.79Å; S41-E43 PolarHBondContact O-N 3.43Å; E43-R45 HydrophobicContact CB-CG 4.28Å; E43-R45 PolarHBondContact O-N 2.73Å; E43-R45 IonicContact OE2-CZ 3.94Å; E43-R45 VanDerWaalsContact OE2-CZ 3.23Å; E43-R45 IonicContact OE2-NE 2.73Å; E43-R45 PolarHBondContact OE2-NE 3.41Å; E43-R45 IonicContact OE2-NH2 3.68Å; E43-R45 PolarHBondContact OE2-NH2 2.89Å |
| 44 | H | 89.7 | Confident | 90 | Very high | 88 Ų | 88 | 46.5 Ų | 46.5 | 41% | 0.407 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.9 | 26.8 | -177.4 | -56.8 | -70 | 0 | 0 | 0 | 114.6 | S41 Q42 P126 T151 | S41-H44 WeakPolarHBondContact O-CA 3.32Å; S41-H44 PolarHBondContact O-N 2.92Å; Q42-H44 PolarHBondContact O-N 2.92Å; H44-P126 HydrophobicContact CB-CG 4.2Å; H44-P126 WeakPolarHBondContact O-CD 3.04Å; H44-P126 WeakPolarHBondContact O-CG 3.47Å; H44-T151 HydrophobicContact CB-CG2 4.03Å; H44-T151 PolarHBondContact CE1-O 3.17Å |
| 45 | R | 89.7 | Confident | 89.9 | Confident | 78 Ų | 78 | 43 Ų | 43 | 29% | 0.294 | 20% | 0.197 | S | C | . | . | trans | -96.5 | 153.3 | 177.8 | -61.7 | -165.7 | -74.5 | 148.6 | -14.7 | 111.4 | V40 E43 E55 G125 | V40-R45 HydrophobicContact CG1-CB 3.7Å; V40-R45 PolarHBondContact O-N 3.42Å; V40-R45 VanDerWaalsContact O-N 3.15Å; E43-R45 HydrophobicContact CB-CG 4.28Å; E43-R45 PolarHBondContact O-N 2.73Å; E43-R45 IonicContact OE2-CZ 3.94Å; E43-R45 VanDerWaalsContact OE2-CZ 3.23Å; E43-R45 IonicContact OE2-NE 2.73Å; E43-R45 PolarHBondContact OE2-NE 3.41Å; E43-R45 IonicContact OE2-NH2 3.68Å; E43-R45 PolarHBondContact OE2-NH2 2.89Å; R45-E55 IonicContact CZ-OE1 3.8Å; R45-E55 VanDerWaalsContact CZ-OE1 3.23Å; R45-E55 IonicContact NH1-OE1 2.71Å; R45-E55 PolarHBondContact NH1-OE1 2.58Å; R45-E55 IonicContact NH2-OE1 2.62Å; R45-E55 PolarHBondContact NH2-OE1 2.79Å; R45-G125 WeakPolarHBondContact O-CA 3.41Å | ||
| 46 | Y | 91 | Very high | 89.7 | Confident | 36 Ų | 36 | 36.9 Ų | 36.9 | 14% | 0.141 | 17% | 0.166 | C | C | . | . | trans | -71.1 | 127.4 | 170.5 | 172.6 | -124 | 0 | 0 | 0 | 110.2 | E5 G48 I87 L124 R129 L130 P131 | E5-Y46 HydrophobicContact CG-CE1 4.5Å; Y46-G48 VanDerWaalsContact CE1-CA 3.41Å; Y46-G48 PolarHBondContact O-N 3.32Å; Y46-G48 VanDerWaalsContact O-N 3.13Å; Y46-I87 WeakPolarHBondContact OH-CG2 3.03Å; Y46-L124 WeakPolarHBondContact CD2-O 3.46Å; Y46-R129 WeakPolarHBondContact CB-O 3.48Å; Y46-L130 HydrophobicContact CD2-CD2 3.59Å; Y46-L130 HydrophobicContact CE2-CD2 3.79Å; Y46-P131 HydrophobicContact CD1-CG 3.85Å; Y46-P131 HydrophobicContact CE1-CG 3.54Å | ||
| 47 | T | 91.5 | Very high | 89.5 | Confident | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 17% | 0.168 | C | C | . | . | trans | -88.8 | 42.8 | -177.4 | 57.2 | 0 | 0 | 0 | 0 | 112.8 | V40 I52 H83 L123 L124 | V40-T47 HydrophobicContact CB-CG2 3.97Å; V40-T47 HydrophobicContact CG1-CG2 3.82Å; T47-I52 HydrophobicContact CG2-CD1 4.14Å; T47-H83 PolarHBondContact O-CD2 3.43Å; T47-H83 PolarHBondContact O-NE2 3.48Å; T47-H83 PolarHBondContact OG1-CE1 3.02Å; T47-H83 VanDerWaalsContact OG1-CE1 3.29Å; T47-H83 PolarHBondContact OG1-NE2 3.31Å; T47-L123 VanDerWaalsContact CB-O 3.3Å; T47-L123 WeakPolarHBondContact CB-O 3.48Å; T47-L123 WeakPolarHBondContact CG2-O 3.42Å; T47-L123 PolarHBondContact OG1-O 3.26Å; T47-L124 PolarHBondContact N-O 2.79Å; T47-L124 VanDerWaalsContact OG1-CA 3.28Å; T47-L124 WeakPolarHBondContact OG1-CA 3.43Å; T47-L124 PolarHBondContact OG1-O 3.1Å | ||
| 48 | G | 88.9 | Confident | 89.1 | Confident | 2 Ų | 2 | 41.4 Ų | 41.4 | 2% | 0.021 | 18% | 0.183 | C | C | . | . | trans | -56.3 | 154.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | E5 Y46 G50 C51 I52 | E5-G48 VanDerWaalsContact OE1-C 3.3Å; E5-G48 WeakPolarHBondContact OE1-CA 3.44Å; Y46-G48 VanDerWaalsContact CE1-CA 3.41Å; Y46-G48 PolarHBondContact O-N 3.32Å; Y46-G48 VanDerWaalsContact O-N 3.13Å; G48-G50 VanDerWaalsContact C-N 3.3Å; G48-G50 PolarHBondContact O-N 3.04Å; G48-C51 WeakPolarHBondContact O-CB 3.43Å; G48-C51 PolarHBondContact O-N 2.82Å; G48-I52 PolarHBondContact O-N 3.29Å | ||
| 49 | L | 88.7 | Confident | 88.9 | Confident | 13 Ų | 13 | 37.1 Ų | 37.1 | 7% | 0.068 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -57 | -44.7 | -171 | -58.8 | 173.5 | 0 | 0 | 0 | 111.6 | E5 C51 I52 Q53 L80 K84 I87 | E5-L49 PolarHBondContact OE1-N 2.96Å; L49-C51 VanDerWaalsContact C-N 3.34Å; L49-C51 PolarHBondContact O-N 3Å; L49-I52 PolarHBondContact O-N 3.36Å; L49-Q53 WeakPolarHBondContact O-CB 3.5Å; L49-Q53 WeakPolarHBondContact O-CG 3.39Å; L49-Q53 PolarHBondContact O-N 3.47Å; L49-L80 HydrophobicContact CD2-CD1 3.95Å; L49-L80 HydrophobicContact CD2-CG 3.96Å; L49-K84 HydrophobicContact CD1-CB 4.21Å; L49-K84 HydrophobicContact CD1-CD 3.62Å; L49-K84 HydrophobicContact CD1-CG 3.81Å; L49-K84 HydrophobicContact CD2-CB 3.88Å; L49-K84 HydrophobicContact CD2-CG 4.41Å; L49-I87 HydrophobicContact CD2-CD1 4.46Å |
| 50 | G | 85.8 | Confident | 88.7 | Confident | 7 Ų | 7 | 35.9 Ų | 35.9 | 7% | 0.072 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -60.4 | -39.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | G48 E54 | G48-G50 VanDerWaalsContact C-N 3.3Å; G48-G50 PolarHBondContact O-N 3.04Å; G50-E54 VanDerWaalsContact O-CB 3.27Å; G50-E54 WeakPolarHBondContact O-CB 3.43Å; G50-E54 PolarHBondContact O-N 3.06Å |
| 51 | C | 88.9 | Confident | 88.3 | Confident | 25 Ų | 25 | 38.1 Ų | 38.1 | 17% | 0.169 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -67.6 | -41.8 | 177.7 | -173.6 | 0 | 0 | 0 | 0 | 111.8 | G48 L49 E54 E55 | G48-C51 WeakPolarHBondContact O-CB 3.43Å; G48-C51 PolarHBondContact O-N 2.82Å; L49-C51 VanDerWaalsContact C-N 3.34Å; L49-C51 PolarHBondContact O-N 3Å; C51-E54 PolarHBondContact O-N 2.89Å; C51-E55 VanDerWaalsContact O-CG 3.31Å; C51-E55 WeakPolarHBondContact O-CG 3.28Å; C51-E55 PolarHBondContact O-N 3.29Å |
| 52 | I | 91.5 | Very high | 88.1 | Confident | 1 Ų | 1 | 39.6 Ų | 39.6 | 1% | 0.005 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -72.2 | -36.7 | -179.5 | -61 | -61.5 | 0 | 0 | 0 | 111.4 | I33 L37 V40 T47 G48 L49 L56 L80 | I33-I52 HydrophobicContact CG2-CG2 4.06Å; L37-I52 HydrophobicContact CD2-CD1 3.84Å; L37-I52 HydrophobicContact CD2-CG1 3.77Å; L37-I52 HydrophobicContact CG-CD1 4.35Å; V40-I52 HydrophobicContact CB-CD1 4.12Å; V40-I52 HydrophobicContact CG1-CD1 4.41Å; V40-I52 HydrophobicContact CG2-CD1 4.09Å; T47-I52 HydrophobicContact CG2-CD1 4.14Å; G48-I52 PolarHBondContact O-N 3.29Å; L49-I52 PolarHBondContact O-N 3.36Å; I52-L56 VanDerWaalsContact O-CB 3.24Å; I52-L56 WeakPolarHBondContact O-CB 3.48Å; I52-L56 PolarHBondContact O-N 2.88Å; I52-L80 HydrophobicContact CB-CD1 4.1Å; I52-L80 HydrophobicContact CG2-CD1 3.84Å |
| 53 | Q | 88.4 | Confident | 88 | Confident | 22 Ų | 22 | 34.5 Ų | 34.5 | 10% | 0.103 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -62.4 | -47.4 | 169.2 | -73 | 175.3 | 0.6 | 0 | 0 | 111.1 | L49 E55 L56 F57 A74 D75 L80 | L49-Q53 WeakPolarHBondContact O-CB 3.5Å; L49-Q53 WeakPolarHBondContact O-CG 3.39Å; L49-Q53 PolarHBondContact O-N 3.47Å; Q53-E55 PolarHBondContact O-N 2.91Å; Q53-L56 WeakPolarHBondContact O-CB 3.29Å; Q53-L56 PolarHBondContact O-N 3.15Å; Q53-F57 HydrophobicContact CB-CD2 4.25Å; Q53-F57 HydrophobicContact CB-CE2 3.96Å; Q53-F57 HydrophobicContact CG-CE2 4.41Å; Q53-F57 WeakPolarHBondContact O-CD2 3.36Å; Q53-F57 VanDerWaalsContact O-CG 3.31Å; Q53-F57 WeakPolarHBondContact O-CG 3.43Å; Q53-F57 PolarHBondContact O-N 2.91Å; Q53-A74 HydrophobicContact CG-CB 4.47Å; Q53-D75 PolarHBondContact NE2-OD1 3.31Å; Q53-L80 HydrophobicContact CG-CD2 3.85Å |
| 54 | E | 86.2 | Confident | 87.8 | Confident | 61 Ų | 61 | 34 Ų | 34 | 29% | 0.285 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -59.7 | -48.4 | 178.7 | -163.7 | -164.7 | 177.1 | 0 | 0 | 111.8 | F13 G50 C51 L56 F57 R58 | F13-E54 HydrophobicContact CE2-CG 4.15Å; F13-E54 HydrophobicContact CZ-CG 3.57Å; G50-E54 VanDerWaalsContact O-CB 3.27Å; G50-E54 WeakPolarHBondContact O-CB 3.43Å; G50-E54 PolarHBondContact O-N 3.06Å; C51-E54 PolarHBondContact O-N 2.89Å; E54-L56 VanDerWaalsContact C-N 3.34Å; E54-L56 PolarHBondContact O-N 3.18Å; E54-F57 PolarHBondContact O-N 3.5Å; E54-R58 WeakPolarHBondContact O-CB 3.35Å; E54-R58 PolarHBondContact O-N 2.84Å; E54-R58 IonicContact OE1-CZ 3.58Å; E54-R58 IonicContact OE1-NE 2.92Å; E54-R58 IonicContact OE1-NH2 3.53Å; E54-R58 PolarHBondContact OE1-NH2 3.35Å; E54-R58 IonicContact OE2-NH2 3.8Å; E54-R58 PolarHBondContact OE2-NH2 2.72Å |
| 55 | E | 88.7 | Confident | 87.5 | Confident | 4 Ų | 4 | 35.5 Ų | 35.5 | 2% | 0.019 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -67 | -34.3 | 179.6 | -64.3 | -63.6 | 177.6 | 0 | 0 | 112.8 | L36 V40 R45 C51 Q53 R58 H59 | L36-E55 HydrophobicContact CD2-CB 4.15Å; V40-E55 HydrophobicContact CG2-CG 3.95Å; R45-E55 IonicContact CZ-OE1 3.8Å; R45-E55 VanDerWaalsContact CZ-OE1 3.23Å; R45-E55 IonicContact NH1-OE1 2.71Å; R45-E55 PolarHBondContact NH1-OE1 2.58Å; R45-E55 IonicContact NH2-OE1 2.62Å; R45-E55 PolarHBondContact NH2-OE1 2.79Å; C51-E55 VanDerWaalsContact O-CG 3.31Å; C51-E55 WeakPolarHBondContact O-CG 3.28Å; C51-E55 PolarHBondContact O-N 3.29Å; Q53-E55 PolarHBondContact O-N 2.91Å; E55-R58 IonicContact OE1-CZ 2.82Å; E55-R58 IonicContact OE1-NH1 2.93Å; E55-R58 PolarHBondContact OE1-NH1 3.48Å; E55-R58 IonicContact OE2-CZ 3.53Å; E55-R58 IonicContact OE2-NH1 3.01Å; E55-R58 PolarHBondContact OE2-NH1 3.08Å; E55-H59 WeakPolarHBondContact O-CB 3.36Å; E55-H59 PolarHBondContact O-N 2.95Å; E55-H59 PolarHBondContact O-ND1 2.91Å; E55-H59 IonicContact OE2-CE1 2.79Å; E55-H59 PolarHBondContact OE2-CE1 2.84Å; E55-H59 IonicContact OE2-ND1 3.7Å; E55-H59 PolarHBondContact OE2-ND1 3.08Å |
| 56 | L | 88.8 | Confident | 87.4 | Confident | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -60.1 | -51.1 | 172 | 174.3 | 67 | 0 | 0 | 0 | 110.7 | V29 V32 I33 L36 I52 Q53 E54 Y60 A63 | V29-L56 HydrophobicContact CG1-CD2 4.23Å; V32-L56 HydrophobicContact CB-CD1 4.5Å; V32-L56 HydrophobicContact CG1-CD1 3.63Å; I33-L56 HydrophobicContact CD1-CD2 4.15Å; I33-L56 HydrophobicContact CG1-CD2 4.17Å; L36-L56 VanDerWaalsContact CD1-CA 3.47Å; L36-L56 HydrophobicContact CD1-CB 3.72Å; L36-L56 HydrophobicContact CD1-CD1 3.96Å; L36-L56 HydrophobicContact CD1-CG 4.47Å; I52-L56 VanDerWaalsContact O-CB 3.24Å; I52-L56 WeakPolarHBondContact O-CB 3.48Å; I52-L56 PolarHBondContact O-N 2.88Å; Q53-L56 WeakPolarHBondContact O-CB 3.29Å; Q53-L56 PolarHBondContact O-N 3.15Å; E54-L56 VanDerWaalsContact C-N 3.34Å; E54-L56 PolarHBondContact O-N 3.18Å; L56-Y60 HydrophobicContact CD1-CD2 4.35Å; L56-Y60 CarbonylContact O-C 3.48Å; L56-Y60 WeakPolarHBondContact O-CA 3.37Å; L56-Y60 WeakPolarHBondContact O-CB 3.46Å; L56-Y60 PolarHBondContact O-N 3.38Å; L56-A63 HydrophobicContact CD1-CB 4.07Å; L56-A63 HydrophobicContact CD2-CB 4.26Å; L56-A63 HydrophobicContact CG-CB 4.01Å |
| 57 | F | 87.2 | Confident | 87.1 | Confident | 15 Ų | 15 | 32 Ų | 32 | 7% | 0.066 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -75.4 | -28.4 | -175.4 | -61.2 | -44.8 | 0 | 0 | 0 | 113.1 | F11 Q53 E54 P61 A63 I64 I67 A74 | F11-F57 HydrophobicContact CE1-CB 3.88Å; F11-F57 AromaticContact CE1-CD2 3.4Å; F11-F57 HydrophobicContact CE1-CD2 3.4Å; F11-F57 HydrophobicContact CE1-CE2 4.21Å; F11-F57 AromaticContact CE1-CG 3.9Å; F11-F57 HydrophobicContact CE1-CG 3.9Å; F11-F57 AromaticContact CZ-CD2 3.52Å; F11-F57 HydrophobicContact CZ-CD2 3.52Å; F11-F57 AromaticContact CZ-CE2 3.87Å; F11-F57 HydrophobicContact CZ-CE2 3.87Å; F11-F57 HydrophobicContact CZ-CG 4.41Å; Q53-F57 HydrophobicContact CB-CD2 4.25Å; Q53-F57 HydrophobicContact CB-CE2 3.96Å; Q53-F57 HydrophobicContact CG-CE2 4.41Å; Q53-F57 WeakPolarHBondContact O-CD2 3.36Å; Q53-F57 VanDerWaalsContact O-CG 3.31Å; Q53-F57 WeakPolarHBondContact O-CG 3.43Å; Q53-F57 PolarHBondContact O-N 2.91Å; E54-F57 PolarHBondContact O-N 3.5Å; F57-P61 WeakPolarHBondContact O-CA 3.24Å; F57-P61 WeakPolarHBondContact O-CG 3.46Å; F57-A63 HydrophobicContact CD1-CB 4.1Å; F57-A63 HydrophobicContact CE1-CB 4.03Å; F57-I64 HydrophobicContact CB-CD1 4.21Å; F57-I64 HydrophobicContact CB-CG1 4.26Å; F57-I64 HydrophobicContact CD1-CB 4.44Å; F57-I64 HydrophobicContact CD1-CD1 4.13Å; F57-I64 HydrophobicContact CD1-CG1 3.27Å; F57-I64 HydrophobicContact CE1-CB 4.48Å; F57-I64 HydrophobicContact CE1-CG1 3.66Å; F57-I64 HydrophobicContact CG-CD1 4.22Å; F57-I64 HydrophobicContact CG-CG1 3.83Å; F57-I64 HydrophobicContact CZ-CG1 4.49Å; F57-I67 HydrophobicContact CE1-CD1 3.89Å; F57-I67 HydrophobicContact CZ-CD1 4.04Å; F57-A74 HydrophobicContact CZ-CB 4.29Å |
| 58 | R | 85.4 | Confident | 86.7 | Confident | 87 Ų | 87 | 35.1 Ų | 35.1 | 33% | 0.328 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -70.3 | -41.8 | 172.7 | -172.3 | -169.6 | -64.4 | 158.5 | -8.8 | 112.9 | F13 S16 E54 E55 | F13-R58 HydrophobicContact CD1-CB 4.35Å; F13-R58 HydrophobicContact CD1-CG 4.35Å; F13-R58 HydrophobicContact CE1-CB 3.79Å; F13-R58 HydrophobicContact CE1-CG 3.82Å; F13-R58 HydrophobicContact CZ-CB 4.43Å; S16-R58 PolarHBondContact OG-O 3.31Å; E54-R58 WeakPolarHBondContact O-CB 3.35Å; E54-R58 PolarHBondContact O-N 2.84Å; E54-R58 IonicContact OE1-CZ 3.58Å; E54-R58 IonicContact OE1-NE 2.92Å; E54-R58 IonicContact OE1-NH2 3.53Å; E54-R58 PolarHBondContact OE1-NH2 3.35Å; E54-R58 IonicContact OE2-NH2 3.8Å; E54-R58 PolarHBondContact OE2-NH2 2.72Å; E55-R58 IonicContact OE1-CZ 2.82Å; E55-R58 IonicContact OE1-NH1 2.93Å; E55-R58 PolarHBondContact OE1-NH1 3.48Å; E55-R58 IonicContact OE2-CZ 3.53Å; E55-R58 IonicContact OE2-NH1 3.01Å; E55-R58 PolarHBondContact OE2-NH1 3.08Å |
| 59 | H | 85.7 | Confident | 86.5 | Confident | 67 Ų | 67 | 39.1 Ų | 39.1 | 31% | 0.31 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -89.5 | -28.9 | -178.5 | -69.7 | 84.2 | 0 | 0 | 0 | 113.4 | K39 E55 | K39-H59 PolarHBondContact NZ-CE1 3.33Å; K39-H59 PolarHBondContact NZ-NE2 3.18Å; E55-H59 WeakPolarHBondContact O-CB 3.36Å; E55-H59 PolarHBondContact O-N 2.95Å; E55-H59 PolarHBondContact O-ND1 2.91Å; E55-H59 IonicContact OE2-CE1 2.79Å; E55-H59 PolarHBondContact OE2-CE1 2.84Å; E55-H59 IonicContact OE2-ND1 3.7Å; E55-H59 PolarHBondContact OE2-ND1 3.08Å |
| 60 | Y | 88.4 | Confident | 86.4 | Confident | 48 Ų | 48 | 42 Ų | 42 | 19% | 0.188 | 23% | 0.231 | C | C | . | . | trans | -133.3 | 69.1 | -176.5 | -53.6 | -91.8 | 0 | 0 | 0 | 111.6 | Y21 F23 V32 L56 S62 A63 | Y21-Y60 HydrophobicContact CG-CD1 4.32Å; Y21-Y60 HydrophobicContact CG-CE1 4.45Å; F23-Y60 HydrophobicContact CZ-CD1 4.25Å; F23-Y60 HydrophobicContact CZ-CG 4.2Å; V32-Y60 HydrophobicContact CG1-CD2 3.56Å; V32-Y60 HydrophobicContact CG1-CE1 4.39Å; V32-Y60 HydrophobicContact CG1-CE2 3.43Å; V32-Y60 VanDerWaalsContact CG1-CE2 3.43Å; V32-Y60 HydrophobicContact CG1-CG 4.12Å; V32-Y60 HydrophobicContact CG2-CE1 4.44Å; L56-Y60 HydrophobicContact CD1-CD2 4.35Å; L56-Y60 CarbonylContact O-C 3.48Å; L56-Y60 WeakPolarHBondContact O-CA 3.37Å; L56-Y60 WeakPolarHBondContact O-CB 3.46Å; L56-Y60 PolarHBondContact O-N 3.38Å; Y60-S62 PolarHBondContact O-N 2.85Å; Y60-A63 VanDerWaalsContact O-CB 3.23Å; Y60-A63 WeakPolarHBondContact O-CB 3.16Å; Y60-A63 PolarHBondContact O-N 3.27Å | ||
| 61 | P | 83.4 | Confident | 86.2 | Confident | 48 Ų | 48 | 52.9 Ų | 52.9 | 31% | 0.312 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | -24.8 | -177.4 | -25.9 | 34.4 | 0 | 0 | 0 | 114.7 | F57 A63 I64 | F57-P61 WeakPolarHBondContact O-CA 3.24Å; F57-P61 WeakPolarHBondContact O-CG 3.46Å; P61-A63 PolarHBondContact O-N 3.4Å; P61-I64 PolarHBondContact O-N 3.45Å |
| 62 | S | 85.7 | Confident | 85.7 | Confident | 39 Ų | 39 | 54.3 Ų | 54.3 | 27% | 0.273 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -61.3 | -20.6 | 173.3 | 49.6 | 0 | 0 | 0 | 0 | 114.1 | Y21 F23 Y60 I64 N65 F66 | Y21-S62 WeakPolarHBondContact O-CB 3.03Å; Y21-S62 PolarHBondContact O-OG 3.23Å; F23-S62 WeakPolarHBondContact CE2-OG 3.38Å; Y60-S62 PolarHBondContact O-N 2.85Å; S62-I64 VanDerWaalsContact C-N 3.32Å; S62-I64 PolarHBondContact O-N 2.95Å; S62-N65 PolarHBondContact O-N 2.77Å; S62-F66 PolarHBondContact O-N 3.25Å; S62-F66 VanDerWaalsContact O-N 3.07Å |
| 63 | A | 85.9 | Confident | 85.1 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -62.5 | -37.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | F23 L56 F57 Y60 P61 N65 F66 I67 | F23-A63 HydrophobicContact CD2-CB 4.29Å; F23-A63 HydrophobicContact CE2-CB 3.66Å; F23-A63 HydrophobicContact CZ-CB 4.02Å; L56-A63 HydrophobicContact CD1-CB 4.07Å; L56-A63 HydrophobicContact CD2-CB 4.26Å; L56-A63 HydrophobicContact CG-CB 4.01Å; F57-A63 HydrophobicContact CD1-CB 4.1Å; F57-A63 HydrophobicContact CE1-CB 4.03Å; Y60-A63 VanDerWaalsContact O-CB 3.23Å; Y60-A63 WeakPolarHBondContact O-CB 3.16Å; Y60-A63 PolarHBondContact O-N 3.27Å; P61-A63 PolarHBondContact O-N 3.4Å; A63-N65 VanDerWaalsContact C-N 3.35Å; A63-N65 PolarHBondContact O-N 3.14Å; A63-F66 PolarHBondContact O-N 3.34Å; A63-I67 HydrophobicContact CB-CD1 4.48Å; A63-I67 WeakPolarHBondContact O-CB 3.4Å; A63-I67 WeakPolarHBondContact O-CD1 3.32Å; A63-I67 VanDerWaalsContact O-CG1 3.27Å; A63-I67 WeakPolarHBondContact O-CG1 3.22Å; A63-I67 PolarHBondContact O-N 3.33Å |
| 64 | I | 83.9 | Confident | 84.6 | Confident | 72 Ų | 72 | 58.7 Ų | 58.7 | 37% | 0.369 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -57.6 | -50.6 | 176.5 | -57.3 | 178.2 | 0 | 0 | 0 | 109.7 | F11 F57 P61 S62 F66 I67 A68 | F11-I64 HydrophobicContact CD1-CD1 4.45Å; F57-I64 HydrophobicContact CB-CD1 4.21Å; F57-I64 HydrophobicContact CB-CG1 4.26Å; F57-I64 HydrophobicContact CD1-CB 4.44Å; F57-I64 HydrophobicContact CD1-CD1 4.13Å; F57-I64 HydrophobicContact CD1-CG1 3.27Å; F57-I64 HydrophobicContact CE1-CB 4.48Å; F57-I64 HydrophobicContact CE1-CG1 3.66Å; F57-I64 HydrophobicContact CG-CD1 4.22Å; F57-I64 HydrophobicContact CG-CG1 3.83Å; F57-I64 HydrophobicContact CZ-CG1 4.49Å; P61-I64 PolarHBondContact O-N 3.45Å; S62-I64 VanDerWaalsContact C-N 3.32Å; S62-I64 PolarHBondContact O-N 2.95Å; I64-F66 VanDerWaalsContact C-N 3.34Å; I64-F66 PolarHBondContact O-N 2.82Å; I64-I67 PolarHBondContact O-N 3.42Å; I64-A68 VanDerWaalsContact O-CB 3.28Å; I64-A68 WeakPolarHBondContact O-CB 3.35Å; I64-A68 PolarHBondContact O-N 2.96Å |
| 65 | N | 83.3 | Confident | 84.2 | Confident | 120 Ų | 120 | 58 Ų | 58 | 64% | 0.642 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -64.4 | -38.6 | -178.5 | -64.6 | -29.8 | 0 | 0 | 0 | 111.9 | S62 A63 S69 | S62-N65 PolarHBondContact O-N 2.77Å; A63-N65 VanDerWaalsContact C-N 3.35Å; A63-N65 PolarHBondContact O-N 3.14Å; N65-S69 WeakPolarHBondContact O-CB 3.35Å; N65-S69 PolarHBondContact O-N 3.28Å |
| 66 | F | 87.3 | Confident | 83.9 | Confident | 28 Ų | 28 | 61.3 Ų | 61.3 | 12% | 0.123 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -65.6 | -51.5 | 175.9 | -179.7 | -95.4 | 0 | 0 | 0 | 111.8 | F23 S25 I26 V29 S62 A63 I64 A68 S69 I70 | F23-F66 HydrophobicContact CB-CB 3.98Å; F23-F66 HydrophobicContact CB-CD1 4.13Å; F23-F66 HydrophobicContact CB-CD2 3.73Å; F23-F66 HydrophobicContact CB-CE2 4.29Å; F23-F66 HydrophobicContact CB-CG 3.65Å; F23-F66 WeakPolarHBondContact O-CD2 3.28Å; S25-F66 WeakPolarHBondContact O-CZ 3.29Å; I26-F66 HydrophobicContact CD1-CE1 4.45Å; V29-F66 HydrophobicContact CG2-CD1 3.65Å; V29-F66 HydrophobicContact CG2-CE1 3.83Å; S62-F66 PolarHBondContact O-N 3.25Å; S62-F66 VanDerWaalsContact O-N 3.07Å; A63-F66 PolarHBondContact O-N 3.34Å; I64-F66 VanDerWaalsContact C-N 3.34Å; I64-F66 PolarHBondContact O-N 2.82Å; F66-A68 VanDerWaalsContact C-N 3.32Å; F66-A68 PolarHBondContact O-N 2.96Å; F66-S69 WeakPolarHBondContact O-CB 3.3Å; F66-S69 PolarHBondContact O-N 3.19Å; F66-S69 PolarHBondContact O-OG 2.96Å; F66-I70 HydrophobicContact CD1-CD1 4.48Å; F66-I70 HydrophobicContact CE1-CD1 3.96Å; F66-I70 HydrophobicContact CE1-CG2 4.46Å; F66-I70 HydrophobicContact CZ-CG2 4.21Å; F66-I70 PolarHBondContact O-N 3.37Å |
| 67 | I | 84.9 | Confident | 83.8 | Confident | 12 Ų | 12 | 61.3 Ų | 61.3 | 6% | 0.062 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -60.7 | -41.8 | -179.7 | -68.5 | 161.4 | 0 | 0 | 0 | 111 | F57 A63 I64 S69 I70 R71 M72 I77 | F57-I67 HydrophobicContact CE1-CD1 3.89Å; F57-I67 HydrophobicContact CZ-CD1 4.04Å; A63-I67 HydrophobicContact CB-CD1 4.48Å; A63-I67 WeakPolarHBondContact O-CB 3.4Å; A63-I67 WeakPolarHBondContact O-CD1 3.32Å; A63-I67 VanDerWaalsContact O-CG1 3.27Å; A63-I67 WeakPolarHBondContact O-CG1 3.22Å; A63-I67 PolarHBondContact O-N 3.33Å; I64-I67 PolarHBondContact O-N 3.42Å; I67-S69 VanDerWaalsContact C-N 3.34Å; I67-S69 PolarHBondContact O-N 2.94Å; I67-I70 VanDerWaalsContact O-CG1 3.23Å; I67-I70 WeakPolarHBondContact O-CG1 3.49Å; I67-I70 PolarHBondContact O-N 3.29Å; I67-R71 PolarHBondContact O-N 3.31Å; I67-M72 WeakPolarHBondContact CG2-O 3.35Å; I67-M72 PolarHBondContact O-N 3.37Å; I67-I77 HydrophobicContact CD1-CD1 3.75Å; I67-I77 HydrophobicContact CG1-CD1 4.48Å |
| 68 | A | 83.7 | Confident | 83.8 | Confident | 67 Ų | 67 | 63.4 Ų | 63.4 | 55% | 0.554 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -61.8 | -39.5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | I64 F66 I70 R71 | I64-A68 VanDerWaalsContact O-CB 3.28Å; I64-A68 WeakPolarHBondContact O-CB 3.35Å; I64-A68 PolarHBondContact O-N 2.96Å; F66-A68 VanDerWaalsContact C-N 3.32Å; F66-A68 PolarHBondContact O-N 2.96Å; A68-I70 VanDerWaalsContact C-N 3.33Å; A68-I70 PolarHBondContact O-N 3.31Å; A68-R71 PolarHBondContact O-N 3.46Å; A68-R71 VanDerWaalsContact O-N 3.14Å |
| 69 | S | 85.2 | Confident | 84.1 | Confident | 86 Ų | 86 | 61.1 Ų | 61.1 | 60% | 0.601 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -65.1 | -33.8 | 179.5 | 77.9 | 0 | 0 | 0 | 0 | 113.4 | N65 F66 I67 R71 | N65-S69 WeakPolarHBondContact O-CB 3.35Å; N65-S69 PolarHBondContact O-N 3.28Å; F66-S69 WeakPolarHBondContact O-CB 3.3Å; F66-S69 PolarHBondContact O-N 3.19Å; F66-S69 PolarHBondContact O-OG 2.96Å; I67-S69 VanDerWaalsContact C-N 3.34Å; I67-S69 PolarHBondContact O-N 2.94Å; S69-R71 VanDerWaalsContact C-N 3.33Å |
| 70 | I | 85.8 | Confident | 84.3 | Confident | 72 Ų | 72 | 58 Ų | 58 | 37% | 0.369 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.5 | 1.6 | 175.8 | 63.5 | 169.9 | 0 | 0 | 0 | 113.5 | I26 F66 I67 A68 M72 | I26-I70 HydrophobicContact CD1-CD1 4.1Å; F66-I70 HydrophobicContact CD1-CD1 4.48Å; F66-I70 HydrophobicContact CE1-CD1 3.96Å; F66-I70 HydrophobicContact CE1-CG2 4.46Å; F66-I70 HydrophobicContact CZ-CG2 4.21Å; F66-I70 PolarHBondContact O-N 3.37Å; I67-I70 VanDerWaalsContact O-CG1 3.23Å; I67-I70 WeakPolarHBondContact O-CG1 3.49Å; I67-I70 PolarHBondContact O-N 3.29Å; A68-I70 VanDerWaalsContact C-N 3.33Å; A68-I70 PolarHBondContact O-N 3.31Å; I70-M72 HydrophobicContact CD1-CB 3.83Å; I70-M72 HydrophobicContact CD1-CE 4.22Å; I70-M72 HydrophobicContact CD1-SD 4.28Å; I70-M72 HydrophobicContact CG1-CB 3.85Å; I70-M72 PolarHBondContact O-N 2.78Å |
| 71 | R | 81.2 | Confident | 84.3 | Confident | 237 Ų | 237 | 57.2 Ų | 57.2 | 89% | 0.894 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.5 | 28.3 | -178.7 | -57.6 | -176.2 | 175.8 | -170.6 | -1.5 | 114.8 | I67 A68 S69 | I67-R71 PolarHBondContact O-N 3.31Å; A68-R71 PolarHBondContact O-N 3.46Å; A68-R71 VanDerWaalsContact O-N 3.14Å; S69-R71 VanDerWaalsContact C-N 3.33Å |
| 72 | M | 79.1 | Confident | 84.6 | Confident | 54 Ų | 54 | 59.9 Ų | 59.9 | 27% | 0.266 | 33% | 0.326 | S | S | . | . | trans | -96.2 | 146.6 | -178.5 | -160.3 | -178.1 | 72.6 | 0 | 0 | 110.5 | I26 I67 I70 C76 I77 | I26-M72 HydrophobicContact CD1-CE 3.6Å; I26-M72 HydrophobicContact CD1-SD 4.49Å; I26-M72 HydrophobicContact CG1-CE 4.36Å; I67-M72 WeakPolarHBondContact CG2-O 3.35Å; I67-M72 PolarHBondContact O-N 3.37Å; I70-M72 HydrophobicContact CD1-CB 3.83Å; I70-M72 HydrophobicContact CD1-CE 4.22Å; I70-M72 HydrophobicContact CD1-SD 4.28Å; I70-M72 HydrophobicContact CG1-CB 3.85Å; I70-M72 PolarHBondContact O-N 2.78Å; M72-C76 HydrophobicContact CG-CB 3.9Å; M72-C76 HydrophobicContact SD-CB 4.23Å; M72-I77 HydrophobicContact CE-CB 4.09Å; M72-I77 HydrophobicContact CE-CG1 3.42Å; M72-I77 VanDerWaalsContact CE-CG1 3.42Å | ||
| 73 | N | 80.1 | Confident | 84.9 | Confident | 101 Ų | 101 | 58.1 Ų | 58.1 | 54% | 0.54 | 31% | 0.313 | S | S | . | . | trans | -73.1 | 143.2 | 168.1 | -170.7 | -9.6 | 0 | 0 | 0 | 109.4 | D75 C76 | N73-D75 PolarHBondContact O-N 3.31Å; N73-D75 PolarHBondContact OD1-N 3.05Å; N73-C76 WeakPolarHBondContact O-CB 3.44Å; N73-C76 PolarHBondContact O-N 2.92Å | ||
| 74 | A | 77 | Confident | 85.1 | Confident | 14 Ų | 14 | 61.3 Ų | 61.3 | 12% | 0.116 | 33% | 0.327 | C | S | . | . | G | 310 helix | trans | -58.6 | -35 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q53 F57 C76 I77 L80 | Q53-A74 HydrophobicContact CG-CB 4.47Å; F57-A74 HydrophobicContact CZ-CB 4.29Å; A74-C76 PolarHBondContact O-N 3.24Å; A74-C76 VanDerWaalsContact O-N 3.12Å; A74-I77 HydrophobicContact CB-CD1 4.41Å; A74-I77 WeakPolarHBondContact O-CD1 3.39Å; A74-I77 VanDerWaalsContact O-CG1 3.25Å; A74-I77 WeakPolarHBondContact O-CG1 3.39Å; A74-I77 PolarHBondContact O-N 3.15Å; A74-L80 WeakPolarHBondContact O-CD2 3.4Å |
| 75 | D | 77.2 | Confident | 85.3 | Confident | 47 Ų | 47 | 64.5 Ų | 64.5 | 25% | 0.251 | 34% | 0.338 | S | S | . | . | G | 310 helix | trans | -61.4 | -15.1 | 173.1 | -91.4 | 46.2 | 0 | 0 | 0 | 114.6 | Q53 N73 K84 | Q53-D75 PolarHBondContact NE2-OD1 3.31Å; N73-D75 PolarHBondContact O-N 3.31Å; N73-D75 PolarHBondContact OD1-N 3.05Å; D75-K84 IonicContact OD2-NZ 2.87Å; D75-K84 PolarHBondContact OD2-NZ 2.86Å |
| 76 | C | 83.2 | Confident | 85.7 | Confident | 73 Ų | 73 | 59.7 Ų | 59.7 | 49% | 0.493 | 31% | 0.313 | S | S | . | . | G | 310 helix | trans | -100.3 | 4.3 | -179.8 | -60.1 | 0 | 0 | 0 | 0 | 113.7 | M72 N73 A74 | M72-C76 HydrophobicContact CG-CB 3.9Å; M72-C76 HydrophobicContact SD-CB 4.23Å; N73-C76 WeakPolarHBondContact O-CB 3.44Å; N73-C76 PolarHBondContact O-N 2.92Å; A74-C76 PolarHBondContact O-N 3.24Å; A74-C76 VanDerWaalsContact O-N 3.12Å |
| 77 | I | 85.8 | Confident | 85.9 | Confident | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 31% | 0.309 | C | S | . | . | S | Bend | trans | -64.9 | 127.9 | 173.3 | -57.2 | 161.4 | 0 | 0 | 0 | 108.5 | I26 V29 I33 I67 M72 A74 R79 L80 A81 | I26-I77 HydrophobicContact CD1-CG1 4.35Å; I26-I77 HydrophobicContact CD1-CG2 4.15Å; V29-I77 HydrophobicContact CG1-CD1 4.03Å; V29-I77 HydrophobicContact CG1-CG2 4.25Å; I33-I77 HydrophobicContact CD1-CB 4.13Å; I33-I77 HydrophobicContact CD1-CD1 3.73Å; I33-I77 HydrophobicContact CD1-CG2 3.73Å; I67-I77 HydrophobicContact CD1-CD1 3.75Å; I67-I77 HydrophobicContact CG1-CD1 4.48Å; M72-I77 HydrophobicContact CE-CB 4.09Å; M72-I77 HydrophobicContact CE-CG1 3.42Å; M72-I77 VanDerWaalsContact CE-CG1 3.42Å; A74-I77 HydrophobicContact CB-CD1 4.41Å; A74-I77 WeakPolarHBondContact O-CD1 3.39Å; A74-I77 VanDerWaalsContact O-CG1 3.25Å; A74-I77 WeakPolarHBondContact O-CG1 3.39Å; A74-I77 PolarHBondContact O-N 3.15Å; I77-R79 PolarHBondContact O-N 3.32Å; I77-L80 HydrophobicContact CB-CB 4.21Å; I77-L80 WeakPolarHBondContact O-CA 3.44Å; I77-L80 WeakPolarHBondContact O-CB 3.43Å; I77-L80 PolarHBondContact O-N 3.14Å; I77-A81 PolarHBondContact O-N 3.19Å |
| 78 | P | 88.4 | Confident | 86.1 | Confident | 59 Ų | 59 | 63.3 Ų | 63.3 | 38% | 0.383 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -51.1 | -53.6 | -165.7 | -31.2 | 35.9 | 0 | 0 | 0 | 114.8 | L80 A81 E82 | P78-L80 VanDerWaalsContact C-N 3.3Å; P78-L80 PolarHBondContact O-N 2.96Å; P78-A81 WeakPolarHBondContact O-CB 3.41Å; P78-A81 PolarHBondContact O-N 3.41Å; P78-A81 VanDerWaalsContact O-N 3.14Å; P78-E82 PolarHBondContact O-N 3.19Å |
| 79 | R | 90.9 | Very high | 86.3 | Confident | 39 Ų | 39 | 66.4 Ų | 66.4 | 15% | 0.147 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -67.4 | -28.2 | 179.8 | -171.1 | 57.4 | -178.3 | 170 | 5.1 | 113.6 | N30 I33 L37 I77 E82 H83 D120 | N30-R79 WeakPolarHBondContact OD1-CB 3.43Å; N30-R79 PolarHBondContact OD1-N 3.32Å; I33-R79 HydrophobicContact CG2-CB 4.27Å; I33-R79 HydrophobicContact CG2-CG 4.28Å; L37-R79 HydrophobicContact CD1-CG 3.95Å; I77-R79 PolarHBondContact O-N 3.32Å; R79-E82 WeakPolarHBondContact CD-OE2 3.33Å; R79-E82 IonicContact CZ-OE2 3.68Å; R79-E82 IonicContact NE-OE2 3.81Å; R79-E82 IonicContact NH1-OE2 2.76Å; R79-E82 PolarHBondContact NH1-OE2 2.96Å; R79-H83 WeakPolarHBondContact O-CB 3.23Å; R79-H83 PolarHBondContact O-N 3.25Å; R79-D120 IonicContact CZ-OD1 2.8Å; R79-D120 IonicContact NH2-OD1 2.71Å; R79-D120 PolarHBondContact NH2-OD1 2.99Å |
| 80 | L | 90.1 | Very high | 86.6 | Confident | 1 Ų | 1 | 62.5 Ų | 62.5 | 1% | 0.005 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -71.8 | -36.6 | 173.5 | -162.4 | 71.1 | 0 | 0 | 0 | 111.2 | I33 L49 I52 Q53 A74 I77 P78 H83 K84 | I33-L80 HydrophobicContact CD1-CB 4.13Å; L49-L80 HydrophobicContact CD2-CD1 3.95Å; L49-L80 HydrophobicContact CD2-CG 3.96Å; I52-L80 HydrophobicContact CB-CD1 4.1Å; I52-L80 HydrophobicContact CG2-CD1 3.84Å; Q53-L80 HydrophobicContact CG-CD2 3.85Å; A74-L80 WeakPolarHBondContact O-CD2 3.4Å; I77-L80 HydrophobicContact CB-CB 4.21Å; I77-L80 WeakPolarHBondContact O-CA 3.44Å; I77-L80 WeakPolarHBondContact O-CB 3.43Å; I77-L80 PolarHBondContact O-N 3.14Å; P78-L80 VanDerWaalsContact C-N 3.3Å; P78-L80 PolarHBondContact O-N 2.96Å; L80-H83 PolarHBondContact O-N 3.48Å; L80-K84 WeakPolarHBondContact O-CB 3.29Å; L80-K84 PolarHBondContact O-N 3.12Å |
| 81 | A | 88 | Confident | 86.9 | Confident | 32 Ų | 32 | 60.4 Ų | 60.4 | 26% | 0.264 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -69.9 | -34.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | I77 P78 K85 | I77-A81 PolarHBondContact O-N 3.19Å; P78-A81 WeakPolarHBondContact O-CB 3.41Å; P78-A81 PolarHBondContact O-N 3.41Å; P78-A81 VanDerWaalsContact O-N 3.14Å; A81-K85 WeakPolarHBondContact O-CG 3.37Å; A81-K85 PolarHBondContact O-N 3.3Å; A81-K85 VanDerWaalsContact O-N 3.14Å |
| 82 | E | 89.9 | Confident | 87.2 | Confident | 105 Ų | 105 | 53.6 Ų | 53.6 | 49% | 0.491 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -64.6 | -47.1 | 168.5 | -71 | -175.6 | 153.7 | 0 | 0 | 111.8 | P78 R79 K84 K85 L86 | P78-E82 PolarHBondContact O-N 3.19Å; R79-E82 WeakPolarHBondContact CD-OE2 3.33Å; R79-E82 IonicContact CZ-OE2 3.68Å; R79-E82 IonicContact NE-OE2 3.81Å; R79-E82 IonicContact NH1-OE2 2.76Å; R79-E82 PolarHBondContact NH1-OE2 2.96Å; E82-K84 VanDerWaalsContact C-N 3.3Å; E82-K84 PolarHBondContact O-N 3.49Å; E82-K85 WeakPolarHBondContact O-CB 3.37Å; E82-K85 PolarHBondContact O-N 2.98Å; E82-K85 VanDerWaalsContact O-N 3.1Å; E82-L86 PolarHBondContact O-N 3.43Å |
| 83 | H | 92.4 | Very high | 87.7 | Confident | 1 Ų | 1 | 54.7 Ų | 54.7 | 1% | 0.005 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -63.8 | -35.8 | 178.1 | -164.7 | 65.9 | 0 | 0 | 0 | 112.2 | L37 T47 R79 L80 K85 L86 I87 | L37-H83 HydrophobicContact CD1-CB 4.39Å; L37-H83 HydrophobicContact CD2-CB 4.47Å; L37-H83 WeakPolarHBondContact CD2-NE2 3.34Å; T47-H83 PolarHBondContact O-CD2 3.43Å; T47-H83 PolarHBondContact O-NE2 3.48Å; T47-H83 PolarHBondContact OG1-CE1 3.02Å; T47-H83 VanDerWaalsContact OG1-CE1 3.29Å; T47-H83 PolarHBondContact OG1-NE2 3.31Å; R79-H83 WeakPolarHBondContact O-CB 3.23Å; R79-H83 PolarHBondContact O-N 3.25Å; L80-H83 PolarHBondContact O-N 3.48Å; H83-K85 PolarHBondContact O-N 2.66Å; H83-L86 WeakPolarHBondContact O-CB 3.35Å; H83-L86 PolarHBondContact O-N 3.47Å; H83-I87 WeakPolarHBondContact O-CG1 3.38Å; H83-I87 PolarHBondContact O-N 3Å |
| 84 | K | 89.5 | Confident | 88.3 | Confident | 67 Ų | 67 | 49.9 Ų | 49.9 | 29% | 0.291 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -58.1 | -45.4 | 169.9 | -172.5 | 162.6 | -163 | 174.7 | 0 | 112.1 | L49 D75 L80 E82 I87 Q88 | L49-K84 HydrophobicContact CD1-CB 4.21Å; L49-K84 HydrophobicContact CD1-CD 3.62Å; L49-K84 HydrophobicContact CD1-CG 3.81Å; L49-K84 HydrophobicContact CD2-CB 3.88Å; L49-K84 HydrophobicContact CD2-CG 4.41Å; D75-K84 IonicContact OD2-NZ 2.87Å; D75-K84 PolarHBondContact OD2-NZ 2.86Å; L80-K84 WeakPolarHBondContact O-CB 3.29Å; L80-K84 PolarHBondContact O-N 3.12Å; E82-K84 VanDerWaalsContact C-N 3.3Å; E82-K84 PolarHBondContact O-N 3.49Å; K84-I87 PolarHBondContact O-N 3.03Å; K84-Q88 WeakPolarHBondContact O-CB 3.28Å; K84-Q88 VanDerWaalsContact O-CG 3.26Å; K84-Q88 WeakPolarHBondContact O-CG 3.46Å; K84-Q88 PolarHBondContact O-N 2.75Å |
| 85 | K | 89.4 | Confident | 89.1 | Confident | 140 Ų | 140 | 53.7 Ų | 53.7 | 61% | 0.609 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -64.7 | -38.1 | 174.8 | -71.3 | 173.1 | 179.7 | -178.2 | 0 | 112.2 | A81 E82 H83 Q88 R89 | A81-K85 WeakPolarHBondContact O-CG 3.37Å; A81-K85 PolarHBondContact O-N 3.3Å; A81-K85 VanDerWaalsContact O-N 3.14Å; E82-K85 WeakPolarHBondContact O-CB 3.37Å; E82-K85 PolarHBondContact O-N 2.98Å; E82-K85 VanDerWaalsContact O-N 3.1Å; H83-K85 PolarHBondContact O-N 2.66Å; K85-Q88 PolarHBondContact O-N 2.78Å; K85-R89 WeakPolarHBondContact O-CB 3.45Å; K85-R89 WeakPolarHBondContact O-CG 3.31Å; K85-R89 PolarHBondContact O-N 2.6Å |
| 86 | L | 90.8 | Very high | 89.6 | Confident | 19 Ų | 19 | 53.8 Ų | 53.8 | 10% | 0.099 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -62.8 | -49.1 | 175.4 | 178.2 | 65.3 | 0 | 0 | 0 | 111.5 | E82 H83 Q88 R89 V90 A117 D120 L124 | E82-L86 PolarHBondContact O-N 3.43Å; H83-L86 WeakPolarHBondContact O-CB 3.35Å; H83-L86 PolarHBondContact O-N 3.47Å; L86-Q88 VanDerWaalsContact C-N 3.31Å; L86-Q88 PolarHBondContact O-N 2.99Å; L86-R89 PolarHBondContact O-N 2.92Å; L86-V90 HydrophobicContact CD1-CG2 4.33Å; L86-V90 WeakPolarHBondContact O-CB 3.35Å; L86-V90 PolarHBondContact O-N 2.77Å; L86-A117 HydrophobicContact CD1-CB 3.64Å; L86-D120 HydrophobicContact CD1-CB 4.43Å; L86-D120 HydrophobicContact CD2-CB 3.76Å; L86-L124 HydrophobicContact CD2-CD1 4.4Å; L86-L124 HydrophobicContact CD2-CD2 4.04Å; L86-L124 HydrophobicContact CD2-CG 4.08Å; L86-L124 HydrophobicContact CG-CD1 4.31Å; L86-L124 HydrophobicContact CG-CD2 4.13Å; L86-L124 HydrophobicContact CG-CG 4.39Å |
| 87 | I | 91.2 | Very high | 90 | Very high | 10 Ų | 10 | 51.2 Ų | 51.2 | 5% | 0.051 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -57 | -44.9 | 174.7 | -68.9 | 165 | 0 | 0 | 0 | 110.5 | Y46 L49 H83 K84 N91 L124 | Y46-I87 WeakPolarHBondContact OH-CG2 3.03Å; L49-I87 HydrophobicContact CD2-CD1 4.46Å; H83-I87 WeakPolarHBondContact O-CG1 3.38Å; H83-I87 PolarHBondContact O-N 3Å; K84-I87 PolarHBondContact O-N 3.03Å; I87-N91 VanDerWaalsContact O-CB 3.29Å; I87-N91 WeakPolarHBondContact O-CB 3.29Å; I87-N91 PolarHBondContact O-N 3.04Å; I87-N91 PolarHBondContact O-ND2 2.99Å; I87-N91 PolarHBondContact O-OD1 3.42Å; I87-L124 HydrophobicContact CG1-CD2 3.56Å |
| 88 | Q | 88.6 | Confident | 90.2 | Very high | 106 Ų | 106 | 51.2 Ų | 51.2 | 50% | 0.495 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -63.4 | -45.9 | 178.2 | -74.6 | 172.3 | -28.7 | 0 | 0 | 112.9 | K84 K85 L86 N91 T92 | K84-Q88 WeakPolarHBondContact O-CB 3.28Å; K84-Q88 VanDerWaalsContact O-CG 3.26Å; K84-Q88 WeakPolarHBondContact O-CG 3.46Å; K84-Q88 PolarHBondContact O-N 2.75Å; K85-Q88 PolarHBondContact O-N 2.78Å; L86-Q88 VanDerWaalsContact C-N 3.31Å; L86-Q88 PolarHBondContact O-N 2.99Å; Q88-N91 PolarHBondContact O-N 3.21Å; Q88-T92 WeakPolarHBondContact O-CB 3.35Å; Q88-T92 PolarHBondContact O-N 3.4Å; Q88-T92 PolarHBondContact O-OG1 3.08Å |
| 89 | R | 88.8 | Confident | 90.2 | Very high | 131 Ų | 131 | 53.8 Ų | 53.8 | 49% | 0.494 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -59 | -48.6 | 175.8 | -84.1 | -179.1 | 63.8 | -178.7 | -1.8 | 112 | K85 L86 T92 H93 E116 | K85-R89 WeakPolarHBondContact O-CB 3.45Å; K85-R89 WeakPolarHBondContact O-CG 3.31Å; K85-R89 PolarHBondContact O-N 2.6Å; L86-R89 PolarHBondContact O-N 2.92Å; R89-T92 PolarHBondContact O-N 3.22Å; R89-H93 PolarHBondContact O-N 3.28Å; R89-H93 PolarHBondContact O-ND1 2.95Å; R89-E116 WeakPolarHBondContact CB-OE1 3.48Å; R89-E116 IonicContact CZ-OE1 3.99Å; R89-E116 IonicContact CZ-OE2 3.23Å; R89-E116 IonicContact NE-OE1 2.63Å; R89-E116 PolarHBondContact NE-OE1 3.23Å; R89-E116 PolarHBondContact NH2-O 3.28Å; R89-E116 IonicContact NH2-OE1 3.35Å; R89-E116 PolarHBondContact NH2-OE1 3.02Å; R89-E116 IonicContact NH2-OE2 2.65Å; R89-E116 PolarHBondContact NH2-OE2 3.15Å |
| 90 | V | 91.3 | Very high | 90 | Very high | 4 Ų | 4 | 57.3 Ų | 57.3 | 2% | 0.024 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -65.2 | -45 | 179.7 | 162.7 | 0 | 0 | 0 | 0 | 111.7 | L86 T92 H93 L94 I113 E116 L124 | L86-V90 HydrophobicContact CD1-CG2 4.33Å; L86-V90 WeakPolarHBondContact O-CB 3.35Å; L86-V90 PolarHBondContact O-N 2.77Å; V90-T92 VanDerWaalsContact C-N 3.3Å; V90-T92 PolarHBondContact O-N 3.2Å; V90-H93 PolarHBondContact O-N 3.31Å; V90-L94 HydrophobicContact CG1-CD1 3.82Å; V90-L94 HydrophobicContact CG1-CG 4.36Å; V90-L94 WeakPolarHBondContact O-CG 3.24Å; V90-L94 PolarHBondContact O-N 3.35Å; V90-I113 HydrophobicContact CG1-CD1 4.32Å; V90-I113 HydrophobicContact CG1-CG1 3.9Å; V90-I113 HydrophobicContact CG1-CG2 4.1Å; V90-I113 HydrophobicContact CG2-CG2 3.97Å; V90-E116 HydrophobicContact CG2-CG 4.39Å; V90-L124 HydrophobicContact CB-CD1 4.32Å; V90-L124 HydrophobicContact CG1-CD1 4.24Å; V90-L124 HydrophobicContact CG2-CD1 3.88Å |
| 91 | N | 91.3 | Very high | 90 | Very high | 28 Ų | 28 | 62.8 Ų | 62.8 | 15% | 0.15 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -59.5 | -42.1 | 176 | -72.1 | -9.8 | 0 | 0 | 0 | 111.3 | I87 Q88 L94 W95 A132 | I87-N91 VanDerWaalsContact O-CB 3.29Å; I87-N91 WeakPolarHBondContact O-CB 3.29Å; I87-N91 PolarHBondContact O-N 3.04Å; I87-N91 PolarHBondContact O-ND2 2.99Å; I87-N91 PolarHBondContact O-OD1 3.42Å; Q88-N91 PolarHBondContact O-N 3.21Å; N91-L94 PolarHBondContact O-N 2.97Å; N91-W95 PolarHBondContact O-N 2.81Å; N91-A132 HydrophobicContact CB-CB 4.43Å; N91-A132 VanDerWaalsContact OD1-CB 3.26Å; N91-A132 WeakPolarHBondContact OD1-CB 3.36Å |
| 92 | T | 88.1 | Confident | 90.1 | Very high | 94 Ų | 94 | 64.4 Ų | 64.4 | 58% | 0.577 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -61.5 | -46.3 | 177.8 | -56.7 | 0 | 0 | 0 | 0 | 111.7 | Q88 R89 V90 W95 A96 | Q88-T92 WeakPolarHBondContact O-CB 3.35Å; Q88-T92 PolarHBondContact O-N 3.4Å; Q88-T92 PolarHBondContact O-OG1 3.08Å; R89-T92 PolarHBondContact O-N 3.22Å; V90-T92 VanDerWaalsContact C-N 3.3Å; V90-T92 PolarHBondContact O-N 3.2Å; T92-W95 PolarHBondContact O-N 2.88Å; T92-A96 WeakPolarHBondContact O-CB 3.27Å; T92-A96 PolarHBondContact O-N 3.48Å |
| 93 | H | 90.3 | Very high | 90.2 | Very high | 77 Ų | 77 | 59.7 Ų | 59.7 | 36% | 0.356 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -64.5 | -42.4 | 177.2 | -76.9 | 94.9 | 0 | 0 | 0 | 112.9 | R89 V90 W95 A96 Y97 L112 E116 | R89-H93 PolarHBondContact O-N 3.28Å; R89-H93 PolarHBondContact O-ND1 2.95Å; V90-H93 PolarHBondContact O-N 3.31Å; H93-W95 VanDerWaalsContact C-N 3.34Å; H93-W95 PolarHBondContact O-N 3.03Å; H93-A96 PolarHBondContact O-N 3.18Å; H93-Y97 WeakPolarHBondContact O-CB 3.29Å; H93-Y97 PolarHBondContact O-N 2.74Å; H93-L112 HydrophobicContact CB-CD2 4.29Å; H93-E116 IonicContact CE1-OE1 2.67Å; H93-E116 PolarHBondContact CE1-OE1 3.08Å; H93-E116 IonicContact CE1-OE2 3.29Å; H93-E116 IonicContact ND1-OE1 3.01Å; H93-E116 PolarHBondContact ND1-OE1 3.2Å; H93-E116 VanDerWaalsContact ND1-OE1 3.14Å |
| 94 | L | 93 | Very high | 90.3 | Very high | 1 Ų | 1 | 59.7 Ų | 59.7 | 1% | 0.005 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -61.1 | -41.6 | 175.2 | -71.2 | 170.6 | 0 | 0 | 0 | 111.8 | V90 N91 A98 M109 L112 I113 A132 I136 | V90-L94 HydrophobicContact CG1-CD1 3.82Å; V90-L94 HydrophobicContact CG1-CG 4.36Å; V90-L94 WeakPolarHBondContact O-CG 3.24Å; V90-L94 PolarHBondContact O-N 3.35Å; N91-L94 PolarHBondContact O-N 2.97Å; L94-A98 WeakPolarHBondContact O-CB 3.4Å; L94-A98 PolarHBondContact O-N 2.9Å; L94-M109 HydrophobicContact CD2-CB 3.74Å; L94-M109 HydrophobicContact CD2-CG 3.74Å; L94-M109 HydrophobicContact CD2-SD 4.2Å; L94-L112 HydrophobicContact CD2-CD2 4.46Å; L94-I113 HydrophobicContact CD1-CD1 4.21Å; L94-I113 HydrophobicContact CD1-CG1 4.44Å; L94-I113 HydrophobicContact CD2-CD1 4.19Å; L94-I113 HydrophobicContact CD2-CG1 4.13Å; L94-I113 HydrophobicContact CG-CG1 4.41Å; L94-A132 HydrophobicContact CD1-CB 4.18Å; L94-I136 HydrophobicContact CB-CD1 3.78Å |
| 95 | W | 92.3 | Very high | 90.6 | Very high | 93 Ų | 93 | 56.5 Ų | 56.5 | 35% | 0.352 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -70 | -37.3 | 176.1 | -81.9 | 109.7 | 0 | 0 | 0 | 113.3 | N91 T92 H93 A98 T99 E135 I136 | N91-W95 PolarHBondContact O-N 2.81Å; T92-W95 PolarHBondContact O-N 2.88Å; H93-W95 VanDerWaalsContact C-N 3.34Å; H93-W95 PolarHBondContact O-N 3.03Å; W95-A98 PolarHBondContact O-N 2.77Å; W95-T99 WeakPolarHBondContact O-CB 3.31Å; W95-T99 PolarHBondContact O-N 2.87Å; W95-T99 PolarHBondContact O-OG1 2.8Å; W95-E135 HydrophobicContact CH2-CG 4.07Å; W95-E135 HydrophobicContact CZ2-CB 4.31Å; W95-E135 HydrophobicContact CZ2-CG 3.75Å; W95-I136 HydrophobicContact CD2-CD1 3.95Å; W95-I136 HydrophobicContact CD2-CG1 3.82Å; W95-I136 HydrophobicContact CE3-CD1 4.35Å; W95-I136 HydrophobicContact CE3-CG1 3.87Å; W95-I136 HydrophobicContact CG-CD1 4.18Å; W95-I136 HydrophobicContact CH2-CG1 3.78Å; W95-I136 HydrophobicContact CZ2-CG1 3.71Å; W95-I136 HydrophobicContact CZ3-CG1 3.86Å |
| 96 | A | 88.6 | Confident | 90.8 | Very high | 50 Ų | 50 | 50 Ų | 50 | 41% | 0.413 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -63.5 | -46.8 | 174 | 0 | 0 | 0 | 0 | 0 | 111.5 | T92 H93 A98 T99 T100 | T92-A96 WeakPolarHBondContact O-CB 3.27Å; T92-A96 PolarHBondContact O-N 3.48Å; H93-A96 PolarHBondContact O-N 3.18Å; A96-A98 VanDerWaalsContact C-N 3.35Å; A96-A98 PolarHBondContact O-N 2.58Å; A96-T99 PolarHBondContact O-N 3.25Å; A96-T100 WeakPolarHBondContact O-CG2 3.23Å; A96-T100 PolarHBondContact O-N 3.03Å; A96-T100 PolarHBondContact O-OG1 3.41Å |
| 97 | Y | 92.2 | Very high | 90.9 | Very high | 18 Ų | 18 | 49.6 Ų | 49.6 | 7% | 0.071 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -58.1 | -45.9 | 172.1 | 176.2 | -83.3 | 0 | 0 | 0 | 111.5 | H93 T99 T100 R101 L104 D108 M109 L112 | H93-Y97 WeakPolarHBondContact O-CB 3.29Å; H93-Y97 PolarHBondContact O-N 2.74Å; Y97-T99 PolarHBondContact O-N 2.94Å; Y97-T100 PolarHBondContact O-N 3.31Å; Y97-T100 PolarHBondContact O-OG1 2.97Å; Y97-R101 HydrophobicContact CE2-CG 4.49Å; Y97-R101 PolarHBondContact O-N 3.3Å; Y97-R101 VanDerWaalsContact O-N 3.11Å; Y97-L104 HydrophobicContact CD1-CD2 3.77Å; Y97-L104 HydrophobicContact CE1-CB 4.48Å; Y97-L104 HydrophobicContact CE1-CD2 3.46Å; Y97-L104 VanDerWaalsContact CE1-CD2 3.46Å; Y97-D108 HydrophobicContact CE2-CB 4.19Å; Y97-D108 WeakPolarHBondContact OH-CB 3.26Å; Y97-D108 PolarHBondContact OH-OD2 2.81Å; Y97-M109 HydrophobicContact CE1-CG 4.46Å; Y97-L112 HydrophobicContact CD2-CD2 3.97Å; Y97-L112 HydrophobicContact CG-CD2 3.88Å |
| 98 | A | 90.3 | Very high | 91 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -65.1 | -22.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | L94 W95 A96 L104 I136 K232 | L94-A98 WeakPolarHBondContact O-CB 3.4Å; L94-A98 PolarHBondContact O-N 2.9Å; W95-A98 PolarHBondContact O-N 2.77Å; A96-A98 VanDerWaalsContact C-N 3.35Å; A96-A98 PolarHBondContact O-N 2.58Å; A98-L104 HydrophobicContact CB-CD1 4.09Å; A98-I136 HydrophobicContact CB-CB 4.43Å; A98-I136 HydrophobicContact CB-CD1 4.02Å; A98-I136 HydrophobicContact CB-CG1 4.09Å; A98-I136 HydrophobicContact CB-CG2 3.46Å; A98-I136 VanDerWaalsContact CB-CG2 3.46Å; A98-K232 PolarHBondContact O-NZ 3.28Å |
| 99 | T | 87.3 | Confident | 91.3 | Very high | 113 Ų | 113 | 45 Ų | 45 | 69% | 0.693 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -92.8 | -26.6 | -179.7 | -53.1 | 0 | 0 | 0 | 0 | 111.7 | W95 A96 Y97 | W95-T99 WeakPolarHBondContact O-CB 3.31Å; W95-T99 PolarHBondContact O-N 2.87Å; W95-T99 PolarHBondContact O-OG1 2.8Å; A96-T99 PolarHBondContact O-N 3.25Å; Y97-T99 PolarHBondContact O-N 2.94Å |
| 100 | T | 86.1 | Confident | 91.5 | Very high | 114 Ų | 114 | 41.2 Ų | 41.2 | 70% | 0.699 | 22% | 0.22 | S | C | * | . | H | α-helix | trans | -93.7 | -17.5 | -177.9 | 50 | 0 | 0 | 0 | 0 | 114.6 | A96 Y97 | A96-T100 WeakPolarHBondContact O-CG2 3.23Å; A96-T100 PolarHBondContact O-N 3.03Å; A96-T100 PolarHBondContact O-OG1 3.41Å; Y97-T100 PolarHBondContact O-N 3.31Å; Y97-T100 PolarHBondContact O-OG1 2.97Å |
| 101 | R | 89.9 | Confident | 91.5 | Very high | 115 Ų | 115 | 46.2 Ų | 46.2 | 43% | 0.434 | 24% | 0.243 | S | C | . | . | trans | -115.4 | 139.8 | -179.1 | -65.3 | -162.4 | -179.1 | -165.6 | 1 | 114.3 | Y97 L104 | Y97-R101 HydrophobicContact CE2-CG 4.49Å; Y97-R101 PolarHBondContact O-N 3.3Å; Y97-R101 VanDerWaalsContact O-N 3.11Å; R101-L104 HydrophobicContact CB-CD2 3.86Å | ||
| 102 | N | 90.3 | Very high | 91.6 | Very high | 66 Ų | 66 | 46.8 Ų | 46.8 | 35% | 0.353 | 25% | 0.246 | S | C | . | . | S | Bend | trans | -76.9 | -42.8 | 175 | -76.9 | -24.6 | 0 | 0 | 0 | 112.5 | I231 K232 L237 | N102-I231 CarbonylContact O-C 3.53Å; N102-I231 WeakPolarHBondContact O-CA 3.48Å; N102-K232 WeakPolarHBondContact CB-O 3.38Å; N102-K232 PolarHBondContact O-N 2.75Å; N102-L237 HydrophobicContact CB-CD1 4.07Å; N102-L237 HydrophobicContact CB-CD2 4.12Å; N102-L237 HydrophobicContact CB-CG 4.25Å |
| 103 | V | 92.9 | Very high | 91.8 | Very high | 7 Ų | 7 | 42.8 Ų | 42.8 | 4% | 0.042 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 131.1 | 171.5 | 179.5 | 0 | 0 | 0 | 0 | 108.5 | T105 T163 V166 L167 I231 L237 | V103-T105 HydrophobicContact CG1-CG2 4.24Å; V103-T163 HydrophobicContact CB-CG2 4.1Å; V103-T163 HydrophobicContact CG1-CG2 4.22Å; V103-V166 HydrophobicContact CG1-CB 4.07Å; V103-V166 HydrophobicContact CG1-CG1 3.92Å; V103-L167 HydrophobicContact CG2-CD2 3.99Å; V103-L167 HydrophobicContact CG2-CG 4.39Å; V103-I231 HydrophobicContact CG2-CG1 4.34Å; V103-I231 HydrophobicContact CG2-CG2 4.29Å; V103-L237 HydrophobicContact CG2-CD1 3.8Å |
| 104 | L | 94.3 | Very high | 91.8 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 126.2 | 177.2 | -53.5 | 177.8 | 0 | 0 | 0 | 108.3 | Y97 A98 R101 M109 I136 L137 R230 | Y97-L104 HydrophobicContact CD1-CD2 3.77Å; Y97-L104 HydrophobicContact CE1-CB 4.48Å; Y97-L104 HydrophobicContact CE1-CD2 3.46Å; Y97-L104 VanDerWaalsContact CE1-CD2 3.46Å; A98-L104 HydrophobicContact CB-CD1 4.09Å; R101-L104 HydrophobicContact CB-CD2 3.86Å; L104-M109 HydrophobicContact CB-CE 4.38Å; L104-I136 HydrophobicContact CD1-CG2 3.86Å; L104-L137 HydrophobicContact CB-CD2 4.18Å; L104-R230 HydrophobicContact CB-CB 4.47Å; L104-R230 PolarHBondContact N-O 3.49Å; L104-R230 PolarHBondContact O-N 2.9Å |
| 105 | T | 94.8 | Very high | 91.6 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 151.3 | 172.3 | 80.6 | 0 | 0 | 0 | 0 | 111.5 | V103 A107 D108 M109 M161 V166 G228 | V103-T105 HydrophobicContact CG1-CG2 4.24Å; T105-A107 PolarHBondContact O-N 3.26Å; T105-D108 WeakPolarHBondContact CB-OD2 3.19Å; T105-D108 PolarHBondContact O-N 3.36Å; T105-D108 PolarHBondContact OG1-N 2.67Å; T105-D108 VanDerWaalsContact OG1-N 3.1Å; T105-D108 PolarHBondContact OG1-OD2 3.16Å; T105-M109 WeakPolarHBondContact O-CG 3.37Å; T105-M109 PolarHBondContact O-N 3Å; T105-M161 VanDerWaalsContact CB-O 3.24Å; T105-M161 WeakPolarHBondContact CB-O 3.47Å; T105-M161 WeakPolarHBondContact CG2-O 3.28Å; T105-M161 PolarHBondContact OG1-O 2.89Å; T105-V166 HydrophobicContact CG2-CG2 4.02Å; T105-G228 CarbonylContact C-O 3.43Å; T105-G228 WeakPolarHBondContact CA-O 3.35Å |
| 106 | L | 94.1 | Very high | 91.2 | Very high | 3 Ų | 3 | 46.4 Ų | 46.4 | 2% | 0.016 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -66.8 | -27.6 | 177.2 | -161.9 | 66.6 | 0 | 0 | 0 | 112.5 | M109 E110 V127 V128 A133 L137 F142 V146 F150 G228 | L106-M109 HydrophobicContact CD1-SD 4.32Å; L106-E110 PolarHBondContact O-N 3.44Å; L106-V127 HydrophobicContact CD1-CB 4.47Å; L106-V127 HydrophobicContact CD1-CG1 4.11Å; L106-V127 HydrophobicContact CD1-CG2 3.71Å; L106-V127 HydrophobicContact CD2-CG1 4.15Å; L106-V127 HydrophobicContact CG-CG1 3.77Å; L106-V127 HydrophobicContact CG-CG2 4.23Å; L106-V128 HydrophobicContact CD2-CG1 3.44Å; L106-V128 VanDerWaalsContact CD2-CG1 3.44Å; L106-A133 HydrophobicContact CD1-CB 4.06Å; L106-L137 HydrophobicContact CB-CD1 4.45Å; L106-L137 HydrophobicContact CD1-CD1 3.88Å; L106-F142 HydrophobicContact CD1-CE2 4.44Å; L106-F142 HydrophobicContact CD1-CZ 4.01Å; L106-F142 HydrophobicContact CD2-CD1 4.41Å; L106-F142 HydrophobicContact CD2-CD2 4.42Å; L106-F142 HydrophobicContact CD2-CE1 4.24Å; L106-F142 HydrophobicContact CD2-CE2 4.23Å; L106-F142 HydrophobicContact CD2-CZ 4.16Å; L106-V146 HydrophobicContact CD2-CG1 4.02Å; L106-F150 HydrophobicContact CB-CE2 4.35Å; L106-F150 HydrophobicContact CB-CZ 4.23Å; L106-F150 HydrophobicContact CD2-CD2 4.05Å; L106-F150 HydrophobicContact CD2-CE2 4.04Å; L106-F150 HydrophobicContact CD2-CZ 4.49Å; L106-F150 HydrophobicContact CG-CE2 4.37Å; L106-F150 HydrophobicContact CG-CZ 4.35Å; L106-G228 PolarHBondContact N-O 3Å |
| 107 | A | 92.7 | Very high | 91.1 | Very high | 11 Ų | 11 | 44.5 Ų | 44.5 | 9% | 0.091 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -67.5 | -46.5 | 174 | 0 | 0 | 0 | 0 | 0 | 111.8 | T105 M109 E110 Q111 F150 | T105-A107 PolarHBondContact O-N 3.26Å; A107-M109 VanDerWaalsContact C-N 3.31Å; A107-M109 PolarHBondContact O-N 3.24Å; A107-E110 PolarHBondContact O-N 3.34Å; A107-Q111 WeakPolarHBondContact O-CG 3.47Å; A107-Q111 PolarHBondContact O-N 3.02Å; A107-F150 HydrophobicContact CB-CZ 4.1Å |
| 108 | D | 94.2 | Very high | 90.8 | Very high | 19 Ų | 19 | 47.4 Ų | 47.4 | 10% | 0.102 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -64.8 | -37 | 175.5 | -59.8 | -58.4 | 0 | 0 | 0 | 111.5 | Y97 T105 Q111 L112 T163 | Y97-D108 HydrophobicContact CE2-CB 4.19Å; Y97-D108 WeakPolarHBondContact OH-CB 3.26Å; Y97-D108 PolarHBondContact OH-OD2 2.81Å; T105-D108 WeakPolarHBondContact CB-OD2 3.19Å; T105-D108 PolarHBondContact O-N 3.36Å; T105-D108 PolarHBondContact OG1-N 2.67Å; T105-D108 VanDerWaalsContact OG1-N 3.1Å; T105-D108 PolarHBondContact OG1-OD2 3.16Å; D108-Q111 PolarHBondContact O-N 3.37Å; D108-L112 WeakPolarHBondContact O-CB 3.44Å; D108-L112 PolarHBondContact O-N 3.02Å; D108-T163 VanDerWaalsContact OD2-CB 3.31Å; D108-T163 WeakPolarHBondContact OD2-CB 3.49Å; D108-T163 PolarHBondContact OD2-N 2.86Å; D108-T163 PolarHBondContact OD2-OG1 3.45Å |
| 109 | M | 94.5 | Very high | 90.5 | Very high | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -61.9 | -43.9 | 173.7 | -74.1 | -177 | 180 | 0 | 0 | 111.7 | L94 Y97 L104 T105 L106 A107 L112 I113 V127 A133 I136 L137 | L94-M109 HydrophobicContact CD2-CB 3.74Å; L94-M109 HydrophobicContact CD2-CG 3.74Å; L94-M109 HydrophobicContact CD2-SD 4.2Å; Y97-M109 HydrophobicContact CE1-CG 4.46Å; L104-M109 HydrophobicContact CB-CE 4.38Å; T105-M109 WeakPolarHBondContact O-CG 3.37Å; T105-M109 PolarHBondContact O-N 3Å; L106-M109 HydrophobicContact CD1-SD 4.32Å; A107-M109 VanDerWaalsContact C-N 3.31Å; A107-M109 PolarHBondContact O-N 3.24Å; M109-L112 PolarHBondContact O-N 3.11Å; M109-I113 WeakPolarHBondContact O-CD1 3.32Å; M109-I113 WeakPolarHBondContact O-CG1 3.37Å; M109-I113 PolarHBondContact O-N 2.92Å; M109-I113 VanDerWaalsContact O-N 3.11Å; M109-V127 HydrophobicContact CB-CG2 4.31Å; M109-A133 HydrophobicContact SD-CB 4.28Å; M109-I136 HydrophobicContact CE-CB 4.18Å; M109-I136 HydrophobicContact CE-CG2 3.48Å; M109-I136 VanDerWaalsContact CE-CG2 3.48Å; M109-L137 HydrophobicContact CE-CD1 4.48Å; M109-L137 HydrophobicContact CE-CD2 4.09Å; M109-L137 HydrophobicContact CE-CG 4.12Å; M109-L137 HydrophobicContact SD-CD1 4.25Å; M109-L137 HydrophobicContact SD-CG 4.47Å |
| 110 | E | 92.9 | Very high | 90.4 | Very high | 52 Ų | 52 | 51.8 Ų | 51.8 | 24% | 0.243 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -62.9 | -45.1 | 177.3 | -162.6 | 179.8 | -139.4 | 0 | 0 | 111.5 | L106 A107 L112 I113 Q114 V127 F150 | L106-E110 PolarHBondContact O-N 3.44Å; A107-E110 PolarHBondContact O-N 3.34Å; E110-L112 VanDerWaalsContact C-N 3.31Å; E110-L112 PolarHBondContact O-N 3.22Å; E110-I113 PolarHBondContact O-N 3.07Å; E110-Q114 VanDerWaalsContact O-CG 3.31Å; E110-Q114 WeakPolarHBondContact O-CG 3.1Å; E110-Q114 PolarHBondContact O-N 2.91Å; E110-V127 HydrophobicContact CB-CB 4.27Å; E110-V127 HydrophobicContact CB-CG1 4.09Å; E110-V127 HydrophobicContact CB-CG2 4.44Å; E110-V127 HydrophobicContact CG-CB 4.27Å; E110-V127 HydrophobicContact CG-CG1 4.22Å; E110-F150 HydrophobicContact CB-CE1 4.28Å; E110-F150 WeakPolarHBondContact OE2-CD1 3.47Å |
| 111 | Q | 91.9 | Very high | 90.3 | Very high | 109 Ų | 109 | 48.4 Ų | 48.4 | 51% | 0.509 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -59.2 | -40.7 | 175.6 | -69.4 | -179.4 | 18.4 | 0 | 0 | 112.2 | A107 D108 I113 Q114 L115 | A107-Q111 WeakPolarHBondContact O-CG 3.47Å; A107-Q111 PolarHBondContact O-N 3.02Å; D108-Q111 PolarHBondContact O-N 3.37Å; Q111-I113 PolarHBondContact O-N 3.17Å; Q111-Q114 PolarHBondContact O-N 3.31Å; Q111-L115 WeakPolarHBondContact O-CG 3.37Å; Q111-L115 PolarHBondContact O-N 3.24Å |
| 112 | L | 92.7 | Very high | 90.1 | Very high | 41 Ų | 41 | 50.8 Ų | 50.8 | 22% | 0.215 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -61.5 | -42.3 | 176.4 | -175.2 | 68.1 | 0 | 0 | 0 | 112.2 | H93 L94 Y97 D108 M109 E110 L115 E116 | H93-L112 HydrophobicContact CB-CD2 4.29Å; L94-L112 HydrophobicContact CD2-CD2 4.46Å; Y97-L112 HydrophobicContact CD2-CD2 3.97Å; Y97-L112 HydrophobicContact CG-CD2 3.88Å; D108-L112 WeakPolarHBondContact O-CB 3.44Å; D108-L112 PolarHBondContact O-N 3.02Å; M109-L112 PolarHBondContact O-N 3.11Å; E110-L112 VanDerWaalsContact C-N 3.31Å; E110-L112 PolarHBondContact O-N 3.22Å; L112-L115 PolarHBondContact O-N 3.48Å; L112-E116 WeakPolarHBondContact O-CB 3.16Å; L112-E116 PolarHBondContact O-N 3.27Å |
| 113 | I | 92.1 | Very high | 90.1 | Very high | 10 Ų | 10 | 48.4 Ų | 48.4 | 5% | 0.051 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -68.1 | -38.9 | 177.6 | -56.4 | 159.8 | 0 | 0 | 0 | 110.5 | V90 L94 M109 E110 Q111 L115 E116 A117 L124 V127 L130 | V90-I113 HydrophobicContact CG1-CD1 4.32Å; V90-I113 HydrophobicContact CG1-CG1 3.9Å; V90-I113 HydrophobicContact CG1-CG2 4.1Å; V90-I113 HydrophobicContact CG2-CG2 3.97Å; L94-I113 HydrophobicContact CD1-CD1 4.21Å; L94-I113 HydrophobicContact CD1-CG1 4.44Å; L94-I113 HydrophobicContact CD2-CD1 4.19Å; L94-I113 HydrophobicContact CD2-CG1 4.13Å; L94-I113 HydrophobicContact CG-CG1 4.41Å; M109-I113 WeakPolarHBondContact O-CD1 3.32Å; M109-I113 WeakPolarHBondContact O-CG1 3.37Å; M109-I113 PolarHBondContact O-N 2.92Å; M109-I113 VanDerWaalsContact O-N 3.11Å; E110-I113 PolarHBondContact O-N 3.07Å; Q111-I113 PolarHBondContact O-N 3.17Å; I113-L115 VanDerWaalsContact C-N 3.3Å; I113-L115 PolarHBondContact O-N 3.17Å; I113-E116 PolarHBondContact O-N 3.19Å; I113-A117 PolarHBondContact O-N 3.09Å; I113-L124 HydrophobicContact CG2-CD1 4.1Å; I113-V127 HydrophobicContact CD1-CG2 3.88Å; I113-L130 HydrophobicContact CD1-CD1 3.58Å |
| 114 | Q | 91.1 | Very high | 89.9 | Confident | 68 Ų | 68 | 48.2 Ų | 48.2 | 32% | 0.318 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -64 | -32.9 | 175.2 | -70 | 179.1 | 22.9 | 0 | 0 | 112.6 | E110 Q111 P118 Y121 | E110-Q114 VanDerWaalsContact O-CG 3.31Å; E110-Q114 WeakPolarHBondContact O-CG 3.1Å; E110-Q114 PolarHBondContact O-N 2.91Å; Q111-Q114 PolarHBondContact O-N 3.31Å; Q114-P118 WeakPolarHBondContact O-CA 3.5Å; Q114-P118 WeakPolarHBondContact O-CB 3.22Å; Q114-P118 WeakPolarHBondContact O-CD 3.35Å; Q114-Y121 HydrophobicContact CB-CD1 4.45Å; Q114-Y121 HydrophobicContact CB-CE1 4.45Å; Q114-Y121 HydrophobicContact CG-CD1 4.08Å; Q114-Y121 HydrophobicContact CG-CD2 3.9Å; Q114-Y121 HydrophobicContact CG-CE1 3.93Å; Q114-Y121 HydrophobicContact CG-CE2 3.76Å; Q114-Y121 HydrophobicContact CG-CG 4.07Å |
| 115 | L | 88.9 | Confident | 89.7 | Confident | 140 Ų | 140 | 48.9 Ų | 48.9 | 73% | 0.733 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -75.2 | -40.9 | 175.5 | -72.2 | 167 | 0 | 0 | 0 | 112.9 | Q111 L112 I113 | Q111-L115 WeakPolarHBondContact O-CG 3.37Å; Q111-L115 PolarHBondContact O-N 3.24Å; L112-L115 PolarHBondContact O-N 3.48Å; I113-L115 VanDerWaalsContact C-N 3.3Å; I113-L115 PolarHBondContact O-N 3.17Å |
| 116 | E | 84.4 | Confident | 89.5 | Confident | 39 Ų | 39 | 49.5 Ų | 49.5 | 18% | 0.182 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -73.9 | -29.7 | -179.7 | 166.6 | 61.8 | 170.9 | 0 | 0 | 113.1 | R89 V90 H93 L112 I113 | R89-E116 WeakPolarHBondContact CB-OE1 3.48Å; R89-E116 IonicContact CZ-OE1 3.99Å; R89-E116 IonicContact CZ-OE2 3.23Å; R89-E116 IonicContact NE-OE1 2.63Å; R89-E116 PolarHBondContact NE-OE1 3.23Å; R89-E116 PolarHBondContact NH2-O 3.28Å; R89-E116 IonicContact NH2-OE1 3.35Å; R89-E116 PolarHBondContact NH2-OE1 3.02Å; R89-E116 IonicContact NH2-OE2 2.65Å; R89-E116 PolarHBondContact NH2-OE2 3.15Å; V90-E116 HydrophobicContact CG2-CG 4.39Å; H93-E116 IonicContact CE1-OE1 2.67Å; H93-E116 PolarHBondContact CE1-OE1 3.08Å; H93-E116 IonicContact CE1-OE2 3.29Å; H93-E116 IonicContact ND1-OE1 3.01Å; H93-E116 PolarHBondContact ND1-OE1 3.2Å; H93-E116 VanDerWaalsContact ND1-OE1 3.14Å; L112-E116 WeakPolarHBondContact O-CB 3.16Å; L112-E116 PolarHBondContact O-N 3.27Å; I113-E116 PolarHBondContact O-N 3.19Å |
| 117 | A | 85.8 | Confident | 89.4 | Confident | 9 Ų | 9 | 49.6 Ų | 49.6 | 7% | 0.074 | 25% | 0.251 | C | S | . | . | trans | -142 | 57.7 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | L86 I113 N119 D120 Y121 | L86-A117 HydrophobicContact CD1-CB 3.64Å; I113-A117 PolarHBondContact O-N 3.09Å; A117-N119 PolarHBondContact O-N 3.06Å; A117-D120 PolarHBondContact O-N 2.95Å; A117-D120 VanDerWaalsContact O-N 3.07Å; A117-Y121 WeakPolarHBondContact O-CB 3.22Å; A117-Y121 WeakPolarHBondContact O-CD1 3.45Å; A117-Y121 PolarHBondContact O-N 3.08Å | ||
| 118 | P | 86 | Confident | 89.3 | Confident | 80 Ų | 80 | 49.1 Ų | 49.1 | 52% | 0.519 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | -26.4 | -168.2 | 20 | -33.3 | 0 | 0 | 0 | 115.8 | Q114 Y121 | Q114-P118 WeakPolarHBondContact O-CA 3.5Å; Q114-P118 WeakPolarHBondContact O-CB 3.22Å; Q114-P118 WeakPolarHBondContact O-CD 3.35Å; P118-Y121 WeakPolarHBondContact O-CD1 3.36Å; P118-Y121 WeakPolarHBondContact O-CE1 3.21Å |
| 119 | N | 83.5 | Confident | 89.2 | Confident | 148 Ų | 148 | 53 Ų | 53 | 79% | 0.791 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.7 | -35.8 | 176.9 | -62.5 | -33.6 | 0 | 0 | 0 | 113.1 | A117 | A117-N119 PolarHBondContact O-N 3.06Š|
| 120 | D | 85.4 | Confident | 89 | Confident | 56 Ų | 56 | 53.2 Ų | 53.2 | 30% | 0.299 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.2 | -12.8 | -169.6 | -70.9 | -82.1 | 0 | 0 | 0 | 114.3 | R79 L86 A117 R122 L123 | R79-D120 IonicContact CZ-OD1 2.8Å; R79-D120 IonicContact NH2-OD1 2.71Å; R79-D120 PolarHBondContact NH2-OD1 2.99Å; L86-D120 HydrophobicContact CD1-CB 4.43Å; L86-D120 HydrophobicContact CD2-CB 3.76Å; A117-D120 PolarHBondContact O-N 2.95Å; A117-D120 VanDerWaalsContact O-N 3.07Å; D120-R122 PolarHBondContact O-N 3.27Å; D120-L123 HydrophobicContact CB-CD1 4.42Å; D120-L123 VanDerWaalsContact O-CB 3.27Å; D120-L123 WeakPolarHBondContact O-CB 3.35Å; D120-L123 PolarHBondContact O-N 2.95Å; D120-L123 WeakPolarHBondContact OD1-CD1 3.49Å |
| 121 | Y | 84.8 | Confident | 88.9 | Confident | 44 Ų | 44 | 52 Ų | 52 | 17% | 0.173 | 26% | 0.259 | C | S | . | . | G | 310 helix | trans | -53.2 | -37.3 | -175.6 | 73.7 | -91.9 | 0 | 0 | 0 | 112.8 | Q114 A117 P118 L123 L124 | Q114-Y121 HydrophobicContact CB-CD1 4.45Å; Q114-Y121 HydrophobicContact CB-CE1 4.45Å; Q114-Y121 HydrophobicContact CG-CD1 4.08Å; Q114-Y121 HydrophobicContact CG-CD2 3.9Å; Q114-Y121 HydrophobicContact CG-CE1 3.93Å; Q114-Y121 HydrophobicContact CG-CE2 3.76Å; Q114-Y121 HydrophobicContact CG-CG 4.07Å; A117-Y121 WeakPolarHBondContact O-CB 3.22Å; A117-Y121 WeakPolarHBondContact O-CD1 3.45Å; A117-Y121 PolarHBondContact O-N 3.08Å; P118-Y121 WeakPolarHBondContact O-CD1 3.36Å; P118-Y121 WeakPolarHBondContact O-CE1 3.21Å; Y121-L123 PolarHBondContact O-N 3.39Å; Y121-L124 WeakPolarHBondContact O-CB 3.29Å; Y121-L124 PolarHBondContact O-N 3.33Å |
| 122 | R | 84.6 | Confident | 88.9 | Confident | 165 Ų | 165 | 47.1 Ų | 47.1 | 62% | 0.623 | 24% | 0.236 | S | C | * | . | G | 310 helix | trans | -60.4 | -30.3 | 178.4 | -63.1 | -178 | 176.6 | 177 | -2.4 | 112.4 | S41 D120 L124 G125 | S41-R122 WeakPolarHBondContact CB-O 3.21Å; S41-R122 PolarHBondContact OG-O 2.86Å; D120-R122 PolarHBondContact O-N 3.27Å; R122-L124 PolarHBondContact O-N 2.85Å; R122-G125 PolarHBondContact O-N 3.49Å |
| 123 | L | 90.2 | Very high | 88.9 | Confident | 15 Ų | 15 | 45.1 Ų | 45.1 | 8% | 0.079 | 23% | 0.226 | C | C | . | . | G | 310 helix | trans | -68.7 | -16.5 | 178 | -58.9 | -178.4 | 0 | 0 | 0 | 112.8 | T47 D120 Y121 G125 | T47-L123 VanDerWaalsContact CB-O 3.3Å; T47-L123 WeakPolarHBondContact CB-O 3.48Å; T47-L123 WeakPolarHBondContact CG2-O 3.42Å; T47-L123 PolarHBondContact OG1-O 3.26Å; D120-L123 HydrophobicContact CB-CD1 4.42Å; D120-L123 VanDerWaalsContact O-CB 3.27Å; D120-L123 WeakPolarHBondContact O-CB 3.35Å; D120-L123 PolarHBondContact O-N 2.95Å; D120-L123 WeakPolarHBondContact OD1-CD1 3.49Å; Y121-L123 PolarHBondContact O-N 3.39Å; L123-G125 VanDerWaalsContact C-N 3.31Å |
| 124 | L | 89.9 | Confident | 88.9 | Confident | 4 Ų | 4 | 45.8 Ų | 45.8 | 2% | 0.021 | 23% | 0.23 | C | C | . | . | G | 310 helix | trans | -76.5 | -18.8 | 176.6 | -64.4 | 166.4 | 0 | 0 | 0 | 113.1 | Y46 T47 L86 I87 V90 I113 Y121 R122 L130 | Y46-L124 WeakPolarHBondContact CD2-O 3.46Å; T47-L124 PolarHBondContact N-O 2.79Å; T47-L124 VanDerWaalsContact OG1-CA 3.28Å; T47-L124 WeakPolarHBondContact OG1-CA 3.43Å; T47-L124 PolarHBondContact OG1-O 3.1Å; L86-L124 HydrophobicContact CD2-CD1 4.4Å; L86-L124 HydrophobicContact CD2-CD2 4.04Å; L86-L124 HydrophobicContact CD2-CG 4.08Å; L86-L124 HydrophobicContact CG-CD1 4.31Å; L86-L124 HydrophobicContact CG-CD2 4.13Å; L86-L124 HydrophobicContact CG-CG 4.39Å; I87-L124 HydrophobicContact CG1-CD2 3.56Å; V90-L124 HydrophobicContact CB-CD1 4.32Å; V90-L124 HydrophobicContact CG1-CD1 4.24Å; V90-L124 HydrophobicContact CG2-CD1 3.88Å; I113-L124 HydrophobicContact CG2-CD1 4.1Å; Y121-L124 WeakPolarHBondContact O-CB 3.29Å; Y121-L124 PolarHBondContact O-N 3.33Å; R122-L124 PolarHBondContact O-N 2.85Å; L124-L130 HydrophobicContact CB-CD2 4.1Å |
| 125 | G | 88.4 | Confident | 88.9 | Confident | 13 Ų | 13 | 44 Ų | 44 | 13% | 0.134 | 22% | 0.221 | C | C | . | . | trans | 88.2 | 179.6 | -163.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | R45 R122 L123 | R45-G125 WeakPolarHBondContact O-CA 3.41Å; R122-G125 PolarHBondContact O-N 3.49Å; L123-G125 VanDerWaalsContact C-N 3.31Å | ||
| 126 | P | 90.6 | Very high | 89 | Confident | 14 Ų | 14 | 37.5 Ų | 37.5 | 9% | 0.091 | 19% | 0.187 | C | C | . | . | trans | -73.3 | 147.9 | -175.4 | 32.6 | -37.8 | 0 | 0 | 0 | 111.9 | H44 V128 R129 T151 | H44-P126 HydrophobicContact CB-CG 4.2Å; H44-P126 WeakPolarHBondContact O-CD 3.04Å; H44-P126 WeakPolarHBondContact O-CG 3.47Å; P126-V128 HydrophobicContact CB-CG2 3.88Å; P126-V128 HydrophobicContact CG-CG2 4.05Å; P126-V128 PolarHBondContact O-N 3.22Å; P126-V128 VanDerWaalsContact O-N 3.08Å; P126-R129 HydrophobicContact CG-CB 4.34Å; P126-R129 HydrophobicContact CG-CG 4.05Å; P126-R129 PolarHBondContact O-N 3.05Å; P126-T151 HydrophobicContact CB-CG2 3.99Å; P126-T151 HydrophobicContact CG-CG2 3.92Å | ||
| 127 | V | 92.1 | Very high | 89.4 | Confident | 4 Ų | 4 | 35.7 Ų | 35.7 | 2% | 0.024 | 18% | 0.179 | C | C | . | . | G | 310 helix | trans | -54.1 | -35.3 | -175.4 | 68.7 | 0 | 0 | 0 | 0 | 113.2 | L106 M109 E110 I113 R129 L130 A133 F150 | L106-V127 HydrophobicContact CD1-CB 4.47Å; L106-V127 HydrophobicContact CD1-CG1 4.11Å; L106-V127 HydrophobicContact CD1-CG2 3.71Å; L106-V127 HydrophobicContact CD2-CG1 4.15Å; L106-V127 HydrophobicContact CG-CG1 3.77Å; L106-V127 HydrophobicContact CG-CG2 4.23Å; M109-V127 HydrophobicContact CB-CG2 4.31Å; E110-V127 HydrophobicContact CB-CB 4.27Å; E110-V127 HydrophobicContact CB-CG1 4.09Å; E110-V127 HydrophobicContact CB-CG2 4.44Å; E110-V127 HydrophobicContact CG-CB 4.27Å; E110-V127 HydrophobicContact CG-CG1 4.22Å; I113-V127 HydrophobicContact CD1-CG2 3.88Å; V127-R129 PolarHBondContact O-N 3.21Å; V127-R129 VanDerWaalsContact O-N 3.08Å; V127-L130 HydrophobicContact CG2-CD1 4.28Å; V127-L130 PolarHBondContact O-N 2.95Å; V127-L130 VanDerWaalsContact O-N 3.15Å; V127-A133 HydrophobicContact CG2-CB 4.5Å; V127-F150 HydrophobicContact CG1-CB 4.27Å; V127-F150 HydrophobicContact CG1-CD1 3.54Å; V127-F150 HydrophobicContact CG1-CE1 4.04Å; V127-F150 HydrophobicContact CG1-CG 3.98Å |
| 128 | V | 92.1 | Very high | 89.5 | Confident | 2 Ų | 2 | 41.8 Ų | 41.8 | 1% | 0.012 | 21% | 0.206 | C | C | . | . | G | 310 helix | trans | -60.8 | -12.4 | 175.8 | -75.1 | 0 | 0 | 0 | 0 | 115.2 | L106 P126 F142 V146 V147 F150 T151 | L106-V128 HydrophobicContact CD2-CG1 3.44Å; L106-V128 VanDerWaalsContact CD2-CG1 3.44Å; P126-V128 HydrophobicContact CB-CG2 3.88Å; P126-V128 HydrophobicContact CG-CG2 4.05Å; P126-V128 PolarHBondContact O-N 3.22Å; P126-V128 VanDerWaalsContact O-N 3.08Å; V128-F142 HydrophobicContact CB-CD2 3.88Å; V128-F142 HydrophobicContact CB-CE2 4.35Å; V128-F142 HydrophobicContact CG1-CD2 3.92Å; V128-F142 HydrophobicContact CG1-CE2 4.47Å; V128-F142 HydrophobicContact CG1-CG 4.4Å; V128-F142 WeakPolarHBondContact O-CD2 3.37Å; V128-F142 WeakPolarHBondContact O-CE2 3.27Å; V128-V146 HydrophobicContact CG1-CG1 4.22Å; V128-V147 HydrophobicContact CB-CG2 4.45Å; V128-V147 HydrophobicContact CG2-CG1 4.4Å; V128-F150 HydrophobicContact CG1-CB 3.78Å; V128-F150 HydrophobicContact CG1-CD2 4.14Å; V128-F150 HydrophobicContact CG1-CG 4.18Å; V128-F150 HydrophobicContact CG2-CB 4.18Å; V128-T151 HydrophobicContact CG2-CG2 4.22Å |
| 129 | R | 90.4 | Very high | 89.7 | Confident | 99 Ų | 99 | 39 Ų | 39 | 37% | 0.374 | 19% | 0.187 | S | C | . | . | G | 310 helix | trans | -111.6 | -0.5 | 177.7 | -65.2 | -61 | -171.6 | -166.3 | -2.8 | 113.8 | Y46 P126 V127 E141 | Y46-R129 WeakPolarHBondContact CB-O 3.48Å; P126-R129 HydrophobicContact CG-CB 4.34Å; P126-R129 HydrophobicContact CG-CG 4.05Å; P126-R129 PolarHBondContact O-N 3.05Å; V127-R129 PolarHBondContact O-N 3.21Å; V127-R129 VanDerWaalsContact O-N 3.08Å; R129-E141 IonicContact CZ-OE1 2.76Å; R129-E141 IonicContact NH1-OE1 3.02Å; R129-E141 PolarHBondContact NH1-OE1 2.79Å; R129-E141 IonicContact NH2-OE1 3.64Å; R129-E141 PolarHBondContact NH2-OE1 2.89Å |
| 130 | L | 91.6 | Very high | 89.9 | Confident | 5 Ų | 5 | 36.6 Ų | 36.6 | 3% | 0.026 | 18% | 0.182 | C | C | . | . | trans | -74.7 | 125.6 | -179.9 | -59.2 | -178.1 | 0 | 0 | 0 | 111.3 | Y46 I113 L124 V127 A132 A133 L134 | Y46-L130 HydrophobicContact CD2-CD2 3.59Å; Y46-L130 HydrophobicContact CE2-CD2 3.79Å; I113-L130 HydrophobicContact CD1-CD1 3.58Å; L124-L130 HydrophobicContact CB-CD2 4.1Å; V127-L130 HydrophobicContact CG2-CD1 4.28Å; V127-L130 PolarHBondContact O-N 2.95Å; V127-L130 VanDerWaalsContact O-N 3.15Å; L130-A132 VanDerWaalsContact C-N 3.25Å; L130-A132 PolarHBondContact O-N 3.34Å; L130-A133 HydrophobicContact CB-CB 4.16Å; L130-A133 PolarHBondContact O-N 3.48Å; L130-L134 PolarHBondContact O-N 3Å | ||
| 131 | P | 90.4 | Very high | 90.2 | Very high | 28 Ų | 28 | 38.9 Ų | 38.9 | 18% | 0.182 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -57.1 | -35.7 | 179.4 | -27.5 | 35.5 | 0 | 0 | 0 | 113.9 | Y46 L134 E135 | Y46-P131 HydrophobicContact CD1-CG 3.85Å; Y46-P131 HydrophobicContact CE1-CG 3.54Å; P131-L134 PolarHBondContact O-N 3.33Å; P131-E135 WeakPolarHBondContact O-CB 3.33Å; P131-E135 PolarHBondContact O-N 3.16Å |
| 132 | A | 91.1 | Very high | 90.5 | Very high | 5 Ų | 5 | 37.1 Ų | 37.1 | 4% | 0.041 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -66.8 | -37.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | N91 L94 L130 E135 I136 | N91-A132 HydrophobicContact CB-CB 4.43Å; N91-A132 VanDerWaalsContact OD1-CB 3.26Å; N91-A132 WeakPolarHBondContact OD1-CB 3.36Å; L94-A132 HydrophobicContact CD1-CB 4.18Å; L130-A132 VanDerWaalsContact C-N 3.25Å; L130-A132 PolarHBondContact O-N 3.34Å; A132-E135 PolarHBondContact O-N 2.82Å; A132-I136 VanDerWaalsContact O-CB 3.3Å; A132-I136 WeakPolarHBondContact O-CB 3.36Å; A132-I136 WeakPolarHBondContact O-CD1 3.33Å; A132-I136 WeakPolarHBondContact O-CG1 3.21Å; A132-I136 PolarHBondContact O-N 2.86Å |
| 133 | A | 92.6 | Very high | 90.8 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -66.6 | -43 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | L106 M109 V127 L130 L137 | L106-A133 HydrophobicContact CD1-CB 4.06Å; M109-A133 HydrophobicContact SD-CB 4.28Å; V127-A133 HydrophobicContact CG2-CB 4.5Å; L130-A133 HydrophobicContact CB-CB 4.16Å; L130-A133 PolarHBondContact O-N 3.48Å; A133-L137 WeakPolarHBondContact O-CB 3.38Å; A133-L137 WeakPolarHBondContact O-CG 3.34Å; A133-L137 PolarHBondContact O-N 2.98Å |
| 134 | L | 92.3 | Very high | 90.8 | Very high | 24 Ų | 24 | 38 Ų | 38 | 13% | 0.126 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -61.7 | -44.5 | 174 | -68 | 166.8 | 0 | 0 | 0 | 111.9 | L130 P131 Q138 V139 F142 | L130-L134 PolarHBondContact O-N 3Å; P131-L134 PolarHBondContact O-N 3.33Å; L134-Q138 WeakPolarHBondContact O-CA 3.2Å; L134-Q138 PolarHBondContact O-N 3.33Å; L134-V139 WeakPolarHBondContact CB-O 3.46Å; L134-V139 HydrophobicContact CD2-CG1 4Å; L134-V139 WeakPolarHBondContact CD2-O 3.43Å; L134-V139 PolarHBondContact O-N 2.8Å; L134-V139 VanDerWaalsContact O-N 3.11Å; L134-F142 HydrophobicContact CD2-CD2 3.88Å; L134-F142 HydrophobicContact CD2-CE2 3.38Å; L134-F142 HydrophobicContact CD2-CZ 3.88Å; L134-F142 HydrophobicContact CG-CE2 4.09Å |
| 135 | E | 90.8 | Very high | 90.7 | Very high | 30 Ų | 30 | 42.3 Ų | 42.3 | 14% | 0.14 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -66.6 | -43.9 | 178.3 | -174.9 | 175.4 | 176 | 0 | 0 | 112.8 | M1 P2 F3 W95 P131 A132 Q138 | M1-E135 VanDerWaalsContact CA-OE1 3.27Å; M1-E135 WeakPolarHBondContact CA-OE1 3.26Å; M1-E135 WeakPolarHBondContact CA-OE2 3.23Å; M1-E135 WeakPolarHBondContact CG-OE2 3.32Å; M1-E135 VanDerWaalsContact N-CD 3.33Å; M1-E135 PolarHBondContact N-OE1 3.3Å; M1-E135 PolarHBondContact N-OE2 3.37Å; P2-E135 WeakPolarHBondContact CD-OE1 3.45Å; P2-E135 HydrophobicContact CG-CG 4.27Å; F3-E135 HydrophobicContact CD2-CB 4.46Å; W95-E135 HydrophobicContact CH2-CG 4.07Å; W95-E135 HydrophobicContact CZ2-CB 4.31Å; W95-E135 HydrophobicContact CZ2-CG 3.75Å; P131-E135 WeakPolarHBondContact O-CB 3.33Å; P131-E135 PolarHBondContact O-N 3.16Å; A132-E135 PolarHBondContact O-N 2.82Å; E135-Q138 WeakPolarHBondContact O-CG 3.42Å; E135-Q138 PolarHBondContact O-N 3.41Å |
| 136 | I | 92.2 | Very high | 90.9 | Very high | 3 Ų | 3 | 41.7 Ų | 41.7 | 2% | 0.015 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -67.1 | -43.7 | -179.8 | -72.1 | 163.1 | 0 | 0 | 0 | 111.3 | L94 W95 A98 L104 M109 A132 Q138 R230 | L94-I136 HydrophobicContact CB-CD1 3.78Å; W95-I136 HydrophobicContact CD2-CD1 3.95Å; W95-I136 HydrophobicContact CD2-CG1 3.82Å; W95-I136 HydrophobicContact CE3-CD1 4.35Å; W95-I136 HydrophobicContact CE3-CG1 3.87Å; W95-I136 HydrophobicContact CG-CD1 4.18Å; W95-I136 HydrophobicContact CH2-CG1 3.78Å; W95-I136 HydrophobicContact CZ2-CG1 3.71Å; W95-I136 HydrophobicContact CZ3-CG1 3.86Å; A98-I136 HydrophobicContact CB-CB 4.43Å; A98-I136 HydrophobicContact CB-CD1 4.02Å; A98-I136 HydrophobicContact CB-CG1 4.09Å; A98-I136 HydrophobicContact CB-CG2 3.46Å; A98-I136 VanDerWaalsContact CB-CG2 3.46Å; L104-I136 HydrophobicContact CD1-CG2 3.86Å; M109-I136 HydrophobicContact CE-CB 4.18Å; M109-I136 HydrophobicContact CE-CG2 3.48Å; M109-I136 VanDerWaalsContact CE-CG2 3.48Å; A132-I136 VanDerWaalsContact O-CB 3.3Å; A132-I136 WeakPolarHBondContact O-CB 3.36Å; A132-I136 WeakPolarHBondContact O-CD1 3.33Å; A132-I136 WeakPolarHBondContact O-CG1 3.21Å; A132-I136 PolarHBondContact O-N 2.86Å; I136-Q138 VanDerWaalsContact C-N 3.27Å; I136-Q138 PolarHBondContact O-N 3.24Å; I136-R230 WeakPolarHBondContact O-CD 3.4Å; I136-R230 PolarHBondContact O-NH1 2.96Å |
| 137 | L | 91.8 | Very high | 90.9 | Very high | 1 Ų | 1 | 42.1 Ų | 42.1 | 1% | 0.005 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -79.7 | -9.9 | 178.8 | -62.6 | 173 | 0 | 0 | 0 | 112.6 | L104 L106 M109 A133 F142 A225 R230 | L104-L137 HydrophobicContact CB-CD2 4.18Å; L106-L137 HydrophobicContact CB-CD1 4.45Å; L106-L137 HydrophobicContact CD1-CD1 3.88Å; M109-L137 HydrophobicContact CE-CD1 4.48Å; M109-L137 HydrophobicContact CE-CD2 4.09Å; M109-L137 HydrophobicContact CE-CG 4.12Å; M109-L137 HydrophobicContact SD-CD1 4.25Å; M109-L137 HydrophobicContact SD-CG 4.47Å; A133-L137 WeakPolarHBondContact O-CB 3.38Å; A133-L137 WeakPolarHBondContact O-CG 3.34Å; A133-L137 PolarHBondContact O-N 2.98Å; L137-F142 HydrophobicContact CB-CE1 4.49Å; L137-F142 HydrophobicContact CD1-CE1 3.72Å; L137-F142 HydrophobicContact CD1-CZ 3.83Å; L137-A225 WeakPolarHBondContact O-CB 3.5Å; L137-R230 HydrophobicContact CD2-CB 3.54Å |
| 138 | Q | 89.7 | Confident | 90.8 | Very high | 138 Ų | 138 | 43.9 Ų | 43.9 | 65% | 0.645 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56.4 | 49.6 | -179.4 | -74.8 | 178.4 | -1.2 | 0 | 0 | 113.7 | L134 E135 I136 R230 | L134-Q138 WeakPolarHBondContact O-CA 3.2Å; L134-Q138 PolarHBondContact O-N 3.33Å; E135-Q138 WeakPolarHBondContact O-CG 3.42Å; E135-Q138 PolarHBondContact O-N 3.41Å; I136-Q138 VanDerWaalsContact C-N 3.27Å; I136-Q138 PolarHBondContact O-N 3.24Å; Q138-R230 VanDerWaalsContact CG-NH1 3.34Å |
| 139 | V | 90.1 | Very high | 90.6 | Very high | 21 Ų | 21 | 44.3 Ų | 44.3 | 13% | 0.127 | 23% | 0.225 | C | C | . | . | trans | -131.7 | 146 | 174.5 | 75.9 | 0 | 0 | 0 | 0 | 111 | L134 E141 F142 A225 K226 | L134-V139 WeakPolarHBondContact CB-O 3.46Å; L134-V139 HydrophobicContact CD2-CG1 4Å; L134-V139 WeakPolarHBondContact CD2-O 3.43Å; L134-V139 PolarHBondContact O-N 2.8Å; L134-V139 VanDerWaalsContact O-N 3.11Å; V139-E141 VanDerWaalsContact CG2-O 3.29Å; V139-E141 WeakPolarHBondContact CG2-O 3.33Å; V139-F142 HydrophobicContact CG1-CD1 3.78Å; V139-F142 HydrophobicContact CG1-CE1 3.47Å; V139-F142 VanDerWaalsContact CG1-CE1 3.47Å; V139-F142 HydrophobicContact CG1-CG 4.41Å; V139-F142 HydrophobicContact CG1-CZ 3.88Å; V139-A225 HydrophobicContact CB-CB 4.35Å; V139-K226 HydrophobicContact CG2-CB 4.28Å | ||
| 140 | S | 87.7 | Confident | 90.6 | Very high | 97 Ų | 97 | 40.6 Ų | 40.6 | 68% | 0.678 | 21% | 0.212 | S | C | * | . | S | Bend | trans | -82.6 | -32.8 | 177.9 | 54.2 | 0 | 0 | 0 | 0 | 113.5 | ||
| 141 | E | 90 | Very high | 90.5 | Very high | 104 Ų | 104 | 41.9 Ų | 41.9 | 49% | 0.486 | 22% | 0.22 | S | C | . | . | S | Bend | trans | -154.6 | 141.9 | 173.9 | -175.5 | 159.5 | -130.6 | 0 | 0 | 109.7 | R129 V139 | R129-E141 IonicContact CZ-OE1 2.76Å; R129-E141 IonicContact NH1-OE1 3.02Å; R129-E141 PolarHBondContact NH1-OE1 2.79Å; R129-E141 IonicContact NH2-OE1 3.64Å; R129-E141 PolarHBondContact NH2-OE1 2.89Å; V139-E141 VanDerWaalsContact CG2-O 3.29Å; V139-E141 WeakPolarHBondContact CG2-O 3.33Å |
| 142 | F | 92.4 | Very high | 90 | Very high | 7 Ų | 7 | 45.5 Ų | 45.5 | 3% | 0.031 | 24% | 0.242 | C | C | . | . | trans | -79.5 | 159.1 | 176.2 | -60.7 | -75 | 0 | 0 | 0 | 111.8 | L106 V128 L134 L137 V139 Q144 V146 V147 K226 | L106-F142 HydrophobicContact CD1-CE2 4.44Å; L106-F142 HydrophobicContact CD1-CZ 4.01Å; L106-F142 HydrophobicContact CD2-CD1 4.41Å; L106-F142 HydrophobicContact CD2-CD2 4.42Å; L106-F142 HydrophobicContact CD2-CE1 4.24Å; L106-F142 HydrophobicContact CD2-CE2 4.23Å; L106-F142 HydrophobicContact CD2-CZ 4.16Å; V128-F142 HydrophobicContact CB-CD2 3.88Å; V128-F142 HydrophobicContact CB-CE2 4.35Å; V128-F142 HydrophobicContact CG1-CD2 3.92Å; V128-F142 HydrophobicContact CG1-CE2 4.47Å; V128-F142 HydrophobicContact CG1-CG 4.4Å; V128-F142 WeakPolarHBondContact O-CD2 3.37Å; V128-F142 WeakPolarHBondContact O-CE2 3.27Å; L134-F142 HydrophobicContact CD2-CD2 3.88Å; L134-F142 HydrophobicContact CD2-CE2 3.38Å; L134-F142 HydrophobicContact CD2-CZ 3.88Å; L134-F142 HydrophobicContact CG-CE2 4.09Å; L137-F142 HydrophobicContact CB-CE1 4.49Å; L137-F142 HydrophobicContact CD1-CE1 3.72Å; L137-F142 HydrophobicContact CD1-CZ 3.83Å; V139-F142 HydrophobicContact CG1-CD1 3.78Å; V139-F142 HydrophobicContact CG1-CE1 3.47Å; V139-F142 VanDerWaalsContact CG1-CE1 3.47Å; V139-F142 HydrophobicContact CG1-CG 4.41Å; V139-F142 HydrophobicContact CG1-CZ 3.88Å; F142-Q144 PolarHBondContact O-N 3.28Å; F142-V146 HydrophobicContact CB-CB 4.5Å; F142-V146 HydrophobicContact CB-CG1 4.41Å; F142-V147 HydrophobicContact CB-CG2 4.04Å; F142-K226 WeakPolarHBondContact CA-O 3.2Å | ||
| 143 | D | 90.4 | Very high | 89.2 | Confident | 32 Ų | 32 | 48.2 Ų | 48.2 | 17% | 0.171 | 27% | 0.271 | C | S | . | . | trans | -55.3 | 137.3 | 172.7 | -171.1 | -70.3 | 0 | 0 | 0 | 110.9 | R145 V146 V147 K226 Y227 | D143-R145 PolarHBondContact O-N 3.21Å; D143-R145 VanDerWaalsContact OD1-CB 3.3Å; D143-R145 WeakPolarHBondContact OD1-CB 3.3Å; D143-R145 WeakPolarHBondContact OD1-CG 3.4Å; D143-R145 IonicContact OD1-CZ 3.43Å; D143-R145 PolarHBondContact OD1-N 2.64Å; D143-R145 IonicContact OD1-NE 3.5Å; D143-R145 PolarHBondContact OD1-NE 3.47Å; D143-R145 IonicContact OD1-NH2 2.68Å; D143-R145 IonicContact OD2-CZ 2.95Å; D143-R145 IonicContact OD2-NE 3.48Å; D143-R145 IonicContact OD2-NH2 3.43Å; D143-R145 PolarHBondContact OD2-NH2 3.06Å; D143-V146 HydrophobicContact CB-CG2 4.44Å; D143-V146 WeakPolarHBondContact O-CA 3.48Å; D143-V146 WeakPolarHBondContact O-CB 3.37Å; D143-V146 PolarHBondContact O-N 3.35Å; D143-V147 PolarHBondContact O-N 3.45Å; D143-K226 PolarHBondContact N-O 2.88Å; D143-Y227 HydrophobicContact CB-CD1 4.42Å | ||
| 144 | Q | 89.9 | Confident | 88.3 | Confident | 166 Ų | 166 | 51.2 Ų | 51.2 | 78% | 0.776 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -57.4 | -26 | -176.2 | -67.1 | -176.2 | -6.7 | 0 | 0 | 113.2 | F142 A148 | F142-Q144 PolarHBondContact O-N 3.28Å; Q144-A148 WeakPolarHBondContact O-CB 3.33Å; Q144-A148 PolarHBondContact O-N 3.32Å |
| 145 | R | 89.1 | Confident | 87.1 | Confident | 95 Ų | 95 | 56.8 Ų | 56.8 | 36% | 0.358 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -68 | -42.2 | 173.5 | -65.5 | 167.9 | -74.3 | 173.6 | -7.8 | 112 | D143 A148 C149 M159 D207 | D143-R145 PolarHBondContact O-N 3.21Å; D143-R145 VanDerWaalsContact OD1-CB 3.3Å; D143-R145 WeakPolarHBondContact OD1-CB 3.3Å; D143-R145 WeakPolarHBondContact OD1-CG 3.4Å; D143-R145 IonicContact OD1-CZ 3.43Å; D143-R145 PolarHBondContact OD1-N 2.64Å; D143-R145 IonicContact OD1-NE 3.5Å; D143-R145 PolarHBondContact OD1-NE 3.47Å; D143-R145 IonicContact OD1-NH2 2.68Å; D143-R145 IonicContact OD2-CZ 2.95Å; D143-R145 IonicContact OD2-NE 3.48Å; D143-R145 IonicContact OD2-NH2 3.43Å; D143-R145 PolarHBondContact OD2-NH2 3.06Å; R145-A148 PolarHBondContact O-N 3.04Å; R145-C149 PolarHBondContact O-N 3.12Å; R145-C149 PolarHBondContact O-SG 2.97Å; R145-C149 VanDerWaalsContact O-SG 3.39Å; R145-M159 HydrophobicContact CB-CE 4.46Å; R145-M159 HydrophobicContact CB-CG 4.22Å; R145-M159 HydrophobicContact CB-SD 3.75Å; R145-D207 IonicContact CZ-OD1 3.72Å; R145-D207 IonicContact NH1-OD1 3.89Å; R145-D207 PolarHBondContact NH1-OD1 3.01Å; R145-D207 IonicContact NH2-OD1 3.31Å; R145-D207 PolarHBondContact NH2-OD1 3.26Å |
| 146 | V | 91.2 | Very high | 86.7 | Confident | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -67.8 | -43.9 | 174.7 | 176.9 | 0 | 0 | 0 | 0 | 110.1 | L106 V128 F142 D143 A148 C149 F150 M159 | L106-V146 HydrophobicContact CD2-CG1 4.02Å; V128-V146 HydrophobicContact CG1-CG1 4.22Å; F142-V146 HydrophobicContact CB-CB 4.5Å; F142-V146 HydrophobicContact CB-CG1 4.41Å; D143-V146 HydrophobicContact CB-CG2 4.44Å; D143-V146 WeakPolarHBondContact O-CA 3.48Å; D143-V146 WeakPolarHBondContact O-CB 3.37Å; D143-V146 PolarHBondContact O-N 3.35Å; V146-A148 VanDerWaalsContact C-N 3.3Å; V146-A148 PolarHBondContact O-N 3.05Å; V146-C149 PolarHBondContact O-N 3.22Å; V146-F150 HydrophobicContact CG1-CD2 3.71Å; V146-F150 HydrophobicContact CG1-CE2 3.9Å; V146-F150 WeakPolarHBondContact O-CD2 3.3Å; V146-F150 PolarHBondContact O-N 3.41Å; V146-M159 HydrophobicContact CG2-CB 4.23Å; V146-M159 HydrophobicContact CG2-SD 3.69Å |
| 147 | V | 91.2 | Very high | 86.2 | Confident | 23 Ų | 23 | 64.4 Ų | 64.4 | 14% | 0.139 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -56 | -45.4 | 173.3 | 179.7 | 0 | 0 | 0 | 0 | 111.1 | V128 F142 D143 T151 | V128-V147 HydrophobicContact CB-CG2 4.45Å; V128-V147 HydrophobicContact CG2-CG1 4.4Å; F142-V147 HydrophobicContact CB-CG2 4.04Å; D143-V147 PolarHBondContact O-N 3.45Å; V147-T151 HydrophobicContact CG1-CG2 4.35Å; V147-T151 WeakPolarHBondContact O-CB 3.43Å; V147-T151 WeakPolarHBondContact O-CG2 3.28Å; V147-T151 PolarHBondContact O-N 2.99Å; V147-T151 PolarHBondContact O-OG1 3.13Å |
| 148 | A | 89.4 | Confident | 85.8 | Confident | 41 Ų | 41 | 65.4 Ų | 65.4 | 34% | 0.339 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -63.1 | -45.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q144 R145 V146 F150 T151 T152 | Q144-A148 WeakPolarHBondContact O-CB 3.33Å; Q144-A148 PolarHBondContact O-N 3.32Å; R145-A148 PolarHBondContact O-N 3.04Å; V146-A148 VanDerWaalsContact C-N 3.3Å; V146-A148 PolarHBondContact O-N 3.05Å; A148-F150 PolarHBondContact O-N 2.99Å; A148-T151 PolarHBondContact O-N 3.31Å; A148-T151 PolarHBondContact O-OG1 2.86Å; A148-T152 PolarHBondContact O-N 3.46Å; A148-T152 PolarHBondContact O-OG1 3.5Å |
| 149 | C | 89.4 | Confident | 85.7 | Confident | 11 Ų | 11 | 59 Ų | 59 | 7% | 0.074 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -55.3 | -50.6 | 176.1 | -76.3 | 0 | 0 | 0 | 0 | 112.4 | R145 V146 T151 G153 S154 M159 T160 | R145-C149 PolarHBondContact O-N 3.12Å; R145-C149 PolarHBondContact O-SG 2.97Å; R145-C149 VanDerWaalsContact O-SG 3.39Å; V146-C149 PolarHBondContact O-N 3.22Å; C149-T151 VanDerWaalsContact C-N 3.34Å; C149-T151 PolarHBondContact O-N 3.4Å; C149-G153 WeakPolarHBondContact O-CA 3.32Å; C149-G153 PolarHBondContact O-N 2.84Å; C149-S154 PolarHBondContact O-N 3.45Å; C149-S154 PolarHBondContact SG-O 3.39Å; C149-M159 HydrophobicContact CB-CB 4.44Å; C149-T160 HydrophobicContact CB-CG2 3.78Å |
| 150 | F | 90.4 | Very high | 85.7 | Confident | 21 Ų | 21 | 60.2 Ų | 60.2 | 9% | 0.092 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -81.5 | -1.8 | -178.2 | -74.2 | -81.7 | 0 | 0 | 0 | 115.1 | L106 A107 E110 V127 V128 V146 A148 T160 | L106-F150 HydrophobicContact CB-CE2 4.35Å; L106-F150 HydrophobicContact CB-CZ 4.23Å; L106-F150 HydrophobicContact CD2-CD2 4.05Å; L106-F150 HydrophobicContact CD2-CE2 4.04Å; L106-F150 HydrophobicContact CD2-CZ 4.49Å; L106-F150 HydrophobicContact CG-CE2 4.37Å; L106-F150 HydrophobicContact CG-CZ 4.35Å; A107-F150 HydrophobicContact CB-CZ 4.1Å; E110-F150 HydrophobicContact CB-CE1 4.28Å; E110-F150 WeakPolarHBondContact OE2-CD1 3.47Å; V127-F150 HydrophobicContact CG1-CB 4.27Å; V127-F150 HydrophobicContact CG1-CD1 3.54Å; V127-F150 HydrophobicContact CG1-CE1 4.04Å; V127-F150 HydrophobicContact CG1-CG 3.98Å; V128-F150 HydrophobicContact CG1-CB 3.78Å; V128-F150 HydrophobicContact CG1-CD2 4.14Å; V128-F150 HydrophobicContact CG1-CG 4.18Å; V128-F150 HydrophobicContact CG2-CB 4.18Å; V146-F150 HydrophobicContact CG1-CD2 3.71Å; V146-F150 HydrophobicContact CG1-CE2 3.9Å; V146-F150 WeakPolarHBondContact O-CD2 3.3Å; V146-F150 PolarHBondContact O-N 3.41Å; A148-F150 PolarHBondContact O-N 2.99Å; F150-T160 HydrophobicContact CE2-CG2 4.18Å; F150-T160 HydrophobicContact CZ-CG2 4.33Å |
| 151 | T | 88.2 | Confident | 85.8 | Confident | 33 Ų | 33 | 56.2 Ų | 56.2 | 20% | 0.202 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -109.4 | -38.5 | 172.4 | 51.7 | 0 | 0 | 0 | 0 | 113.2 | H44 P126 V128 V147 A148 C149 | H44-T151 HydrophobicContact CB-CG2 4.03Å; H44-T151 PolarHBondContact CE1-O 3.17Å; P126-T151 HydrophobicContact CB-CG2 3.99Å; P126-T151 HydrophobicContact CG-CG2 3.92Å; V128-T151 HydrophobicContact CG2-CG2 4.22Å; V147-T151 HydrophobicContact CG1-CG2 4.35Å; V147-T151 WeakPolarHBondContact O-CB 3.43Å; V147-T151 WeakPolarHBondContact O-CG2 3.28Å; V147-T151 PolarHBondContact O-N 2.99Å; V147-T151 PolarHBondContact O-OG1 3.13Å; A148-T151 PolarHBondContact O-N 3.31Å; A148-T151 PolarHBondContact O-OG1 2.86Å; C149-T151 VanDerWaalsContact C-N 3.34Å; C149-T151 PolarHBondContact O-N 3.4Å |
| 152 | T | 80.7 | Confident | 86 | Confident | 104 Ų | 104 | 52.6 Ų | 52.6 | 64% | 0.638 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -108.5 | 3.8 | -176.2 | 84.3 | 0 | 0 | 0 | 0 | 113.9 | A148 S154 | A148-T152 PolarHBondContact O-N 3.46Å; A148-T152 PolarHBondContact O-OG1 3.5Å; T152-S154 PolarHBondContact O-N 3.15Å |
| 153 | G | 74.1 | Confident | 86 | Confident | 62 Ų | 62 | 53.1 Ų | 53.1 | 64% | 0.639 | 31% | 0.311 | S | S | * | . | trans | 67.9 | 30 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | C149 T155 | C149-G153 WeakPolarHBondContact O-CA 3.32Å; C149-G153 PolarHBondContact O-N 2.84Å; G153-T155 PolarHBondContact O-N 2.69Å | ||
| 154 | S | 73.2 | Confident | 86 | Confident | 62 Ų | 62 | 58.3 Ų | 58.3 | 43% | 0.434 | 33% | 0.334 | S | S | . | . | trans | -73.3 | 120.6 | -177.5 | -166 | 0 | 0 | 0 | 0 | 111.7 | C149 T152 N156 | C149-S154 PolarHBondContact O-N 3.45Å; C149-S154 PolarHBondContact SG-O 3.39Å; T152-S154 PolarHBondContact O-N 3.15Å; S154-N156 VanDerWaalsContact C-N 3.26Å; S154-N156 PolarHBondContact O-N 3.29Å | ||
| 155 | T | 67.5 | Low | 86.1 | Confident | 142 Ų | 142 | 51.8 Ų | 51.8 | 87% | 0.871 | 30% | 0.304 | S | S | * | . | trans | -81 | 55.5 | -170.3 | 60.8 | 0 | 0 | 0 | 0 | 113.8 | G153 | G153-T155 PolarHBondContact O-N 2.69Š| ||
| 156 | N | 81.9 | Confident | 86.3 | Confident | 67 Ų | 67 | 47.3 Ų | 47.3 | 36% | 0.358 | 29% | 0.287 | S | S | . | . | trans | -93.9 | 96.3 | 169.2 | -177.1 | -2.9 | 0 | 0 | 0 | 109.8 | S154 A158 M159 T160 | S154-N156 VanDerWaalsContact C-N 3.26Å; S154-N156 PolarHBondContact O-N 3.29Å; N156-A158 PolarHBondContact O-N 2.99Å; N156-A158 VanDerWaalsContact O-N 3.09Å; N156-A158 PolarHBondContact OD1-N 3.13Å; N156-M159 HydrophobicContact CB-CB 4.3Å; N156-M159 HydrophobicContact CB-CG 4.3Å; N156-M159 WeakPolarHBondContact ND2-CG 3.28Å; N156-M159 WeakPolarHBondContact O-CA 3.38Å; N156-M159 PolarHBondContact O-N 3.26Å; N156-T160 PolarHBondContact O-N 3.42Å; N156-T160 PolarHBondContact O-OG1 3.12Å | ||
| 157 | Q | 81.2 | Confident | 86.3 | Confident | 126 Ų | 126 | 50.1 Ų | 50.1 | 59% | 0.589 | 30% | 0.302 | S | S | * | . | G | 310 helix | trans | -54.5 | -32.1 | -175.4 | -174 | 174.5 | -3.1 | 0 | 0 | 113.6 | M159 T160 M161 D165 | Q157-M159 VanDerWaalsContact C-N 3.29Å; Q157-M159 PolarHBondContact O-N 2.86Å; Q157-T160 CarbonylContact O-C 3.24Å; Q157-T160 PolarHBondContact O-N 2.98Å; Q157-M161 WeakPolarHBondContact O-CG 3.41Å; Q157-M161 PolarHBondContact O-N 3.32Å; Q157-M161 VanDerWaalsContact O-N 3.14Å; Q157-D165 PolarHBondContact NE2-OD1 2.91Å; Q157-D165 VanDerWaalsContact NE2-OD1 3.13Å |
| 158 | A | 84 | Confident | 86.3 | Confident | 21 Ų | 21 | 54.7 Ų | 54.7 | 17% | 0.174 | 32% | 0.32 | C | S | . | . | G | 310 helix | trans | -66.5 | -30.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | N156 T160 M161 L206 | N156-A158 PolarHBondContact O-N 2.99Å; N156-A158 VanDerWaalsContact O-N 3.09Å; N156-A158 PolarHBondContact OD1-N 3.13Å; A158-T160 VanDerWaalsContact C-N 3.35Å; A158-M161 WeakPolarHBondContact O-CG 3.41Å; A158-L206 WeakPolarHBondContact O-CD2 3.28Å |
| 159 | M | 88 | Confident | 86.5 | Confident | 4 Ų | 4 | 55 Ų | 55 | 2% | 0.02 | 32% | 0.315 | C | S | . | . | G | 310 helix | trans | -88.2 | -4 | 177.4 | -64 | -70.6 | 148.8 | 0 | 0 | 113 | R145 V146 C149 N156 Q157 L206 Y227 | R145-M159 HydrophobicContact CB-CE 4.46Å; R145-M159 HydrophobicContact CB-CG 4.22Å; R145-M159 HydrophobicContact CB-SD 3.75Å; V146-M159 HydrophobicContact CG2-CB 4.23Å; V146-M159 HydrophobicContact CG2-SD 3.69Å; C149-M159 HydrophobicContact CB-CB 4.44Å; N156-M159 HydrophobicContact CB-CB 4.3Å; N156-M159 HydrophobicContact CB-CG 4.3Å; N156-M159 WeakPolarHBondContact ND2-CG 3.28Å; N156-M159 WeakPolarHBondContact O-CA 3.38Å; N156-M159 PolarHBondContact O-N 3.26Å; Q157-M159 VanDerWaalsContact C-N 3.29Å; Q157-M159 PolarHBondContact O-N 2.86Å; M159-L206 HydrophobicContact CE-CD2 4.49Å; M159-L206 WeakPolarHBondContact CE-O 3.16Å; M159-Y227 HydrophobicContact CE-CD1 4.27Å; M159-Y227 HydrophobicContact CE-CE1 4.29Å; M159-Y227 HydrophobicContact SD-CD1 4.15Å |
| 160 | T | 88.9 | Confident | 86.6 | Confident | 47 Ų | 47 | 54.5 Ų | 54.5 | 29% | 0.288 | 31% | 0.311 | S | S | . | . | G | 310 helix | trans | -132 | 30.5 | -178.2 | 68.3 | 0 | 0 | 0 | 0 | 111.8 | C149 F150 N156 Q157 A158 C162 | C149-T160 HydrophobicContact CB-CG2 3.78Å; F150-T160 HydrophobicContact CE2-CG2 4.18Å; F150-T160 HydrophobicContact CZ-CG2 4.33Å; N156-T160 PolarHBondContact O-N 3.42Å; N156-T160 PolarHBondContact O-OG1 3.12Å; Q157-T160 CarbonylContact O-C 3.24Å; Q157-T160 PolarHBondContact O-N 2.98Å; A158-T160 VanDerWaalsContact C-N 3.35Å; T160-C162 PolarHBondContact O-N 3.29Å |
| 161 | M | 91.4 | Very high | 86.5 | Confident | 12 Ų | 12 | 59 Ų | 59 | 6% | 0.059 | 33% | 0.331 | C | S | . | . | trans | -59.5 | 133.7 | -179.5 | -70.3 | 178.4 | 77.6 | 0 | 0 | 111.3 | T105 Q157 A158 D165 V166 E169 M202 I229 | T105-M161 VanDerWaalsContact CB-O 3.24Å; T105-M161 WeakPolarHBondContact CB-O 3.47Å; T105-M161 WeakPolarHBondContact CG2-O 3.28Å; T105-M161 PolarHBondContact OG1-O 2.89Å; Q157-M161 WeakPolarHBondContact O-CG 3.41Å; Q157-M161 PolarHBondContact O-N 3.32Å; Q157-M161 VanDerWaalsContact O-N 3.14Å; A158-M161 WeakPolarHBondContact O-CG 3.41Å; M161-D165 HydrophobicContact CB-CB 3.91Å; M161-D165 HydrophobicContact CE-CB 3.66Å; M161-D165 HydrophobicContact CG-CB 4.04Å; M161-V166 HydrophobicContact CB-CG2 4.23Å; M161-V166 HydrophobicContact CE-CG2 4.12Å; M161-E169 HydrophobicContact CE-CB 4.49Å; M161-E169 HydrophobicContact CE-CG 3.96Å; M161-M202 HydrophobicContact CE-CE 3.84Å; M161-M202 HydrophobicContact CE-SD 4.43Å; M161-M202 HydrophobicContact SD-CE 3.87Å; M161-I229 HydrophobicContact CB-CD1 4.33Å; M161-I229 HydrophobicContact SD-CD1 4.2Å | ||
| 162 | C | 93.2 | Very high | 86.6 | Confident | 28 Ų | 28 | 59.6 Ų | 59.6 | 19% | 0.189 | 33% | 0.334 | C | S | . | . | trans | -90.3 | 175.8 | 170.2 | 71.3 | 0 | 0 | 0 | 0 | 111.7 | T160 E164 D165 V166 | T160-C162 PolarHBondContact O-N 3.29Å; C162-E164 PolarHBondContact O-N 3.17Å; C162-D165 PolarHBondContact N-OD2 2.84Å; C162-D165 PolarHBondContact O-N 2.92Å; C162-D165 VanDerWaalsContact O-N 3.17Å; C162-D165 PolarHBondContact SG-OD2 3.19Å; C162-V166 PolarHBondContact O-N 3.43Å; C162-V166 VanDerWaalsContact O-N 3.16Å | ||
| 163 | T | 92.4 | Very high | 87.1 | Confident | 19 Ų | 19 | 54.6 Ų | 54.6 | 12% | 0.117 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -53.3 | -37.3 | 175.5 | -70.7 | 0 | 0 | 0 | 0 | 112.3 | V103 D108 V166 L167 | V103-T163 HydrophobicContact CB-CG2 4.1Å; V103-T163 HydrophobicContact CG1-CG2 4.22Å; D108-T163 VanDerWaalsContact OD2-CB 3.31Å; D108-T163 WeakPolarHBondContact OD2-CB 3.49Å; D108-T163 PolarHBondContact OD2-N 2.86Å; D108-T163 PolarHBondContact OD2-OG1 3.45Å; T163-V166 PolarHBondContact O-N 3.17Å; T163-L167 HydrophobicContact CG2-CD1 3.77Å; T163-L167 HydrophobicContact CG2-CG 4.34Å; T163-L167 WeakPolarHBondContact O-CB 3.2Å; T163-L167 VanDerWaalsContact O-CG 3.32Å; T163-L167 WeakPolarHBondContact O-CG 3.34Å; T163-L167 PolarHBondContact O-N 2.66Å |
| 164 | E | 90.9 | Very high | 87.7 | Confident | 141 Ų | 141 | 51.9 Ų | 51.9 | 66% | 0.659 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -66.1 | -45.5 | 178.8 | -166.2 | -171.2 | 144.2 | 0 | 0 | 111.9 | C162 V166 L167 K168 | C162-E164 PolarHBondContact O-N 3.17Å; E164-V166 VanDerWaalsContact C-N 3.32Å; E164-V166 PolarHBondContact O-N 3.12Å; E164-L167 PolarHBondContact O-N 2.79Å; E164-K168 WeakPolarHBondContact O-CB 3.48Å; E164-K168 PolarHBondContact O-N 2.67Å |
| 165 | D | 92.7 | Very high | 88.4 | Confident | 28 Ų | 28 | 51.3 Ų | 51.3 | 15% | 0.15 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -59.2 | -43.7 | 177.4 | -62.5 | -66.6 | 0 | 0 | 0 | 111.1 | Q157 M161 C162 K168 E169 | Q157-D165 PolarHBondContact NE2-OD1 2.91Å; Q157-D165 VanDerWaalsContact NE2-OD1 3.13Å; M161-D165 HydrophobicContact CB-CB 3.91Å; M161-D165 HydrophobicContact CE-CB 3.66Å; M161-D165 HydrophobicContact CG-CB 4.04Å; C162-D165 PolarHBondContact N-OD2 2.84Å; C162-D165 PolarHBondContact O-N 2.92Å; C162-D165 VanDerWaalsContact O-N 3.17Å; C162-D165 PolarHBondContact SG-OD2 3.19Å; D165-K168 PolarHBondContact O-N 2.94Å; D165-E169 PolarHBondContact O-N 3.12Å |
| 166 | V | 92.7 | Very high | 89.3 | Confident | 1 Ų | 1 | 50.8 Ų | 50.8 | 1% | 0.006 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -65.9 | -41.8 | 179.6 | 177.5 | 0 | 0 | 0 | 0 | 111.6 | V103 T105 M161 C162 T163 E164 E169 L170 F198 M202 I229 I231 | V103-V166 HydrophobicContact CG1-CB 4.07Å; V103-V166 HydrophobicContact CG1-CG1 3.92Å; T105-V166 HydrophobicContact CG2-CG2 4.02Å; M161-V166 HydrophobicContact CB-CG2 4.23Å; M161-V166 HydrophobicContact CE-CG2 4.12Å; C162-V166 PolarHBondContact O-N 3.43Å; C162-V166 VanDerWaalsContact O-N 3.16Å; T163-V166 PolarHBondContact O-N 3.17Å; E164-V166 VanDerWaalsContact C-N 3.32Å; E164-V166 PolarHBondContact O-N 3.12Å; V166-E169 PolarHBondContact O-N 2.74Å; V166-L170 WeakPolarHBondContact O-CB 3.23Å; V166-L170 PolarHBondContact O-N 3.04Å; V166-F198 HydrophobicContact CG1-CZ 4.34Å; V166-M202 HydrophobicContact CG2-CE 4.35Å; V166-I229 HydrophobicContact CG1-CG2 4.36Å; V166-I229 HydrophobicContact CG2-CD1 4.02Å; V166-I229 HydrophobicContact CG2-CG1 4.36Å; V166-I229 HydrophobicContact CG2-CG2 4.09Å; V166-I231 HydrophobicContact CG1-CD1 3.84Å |
| 167 | L | 91.7 | Very high | 89.4 | Confident | 60 Ų | 60 | 48.4 Ų | 48.4 | 31% | 0.314 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -69.4 | -33.1 | 176.2 | -70.8 | 173.2 | 0 | 0 | 0 | 112.4 | V103 T163 E164 L170 K171 | V103-L167 HydrophobicContact CG2-CD2 3.99Å; V103-L167 HydrophobicContact CG2-CG 4.39Å; T163-L167 HydrophobicContact CG2-CD1 3.77Å; T163-L167 HydrophobicContact CG2-CG 4.34Å; T163-L167 WeakPolarHBondContact O-CB 3.2Å; T163-L167 VanDerWaalsContact O-CG 3.32Å; T163-L167 WeakPolarHBondContact O-CG 3.34Å; T163-L167 PolarHBondContact O-N 2.66Å; E164-L167 PolarHBondContact O-N 2.79Å; L167-L170 PolarHBondContact O-N 3.48Å; L167-K171 WeakPolarHBondContact O-CB 3.35Å; L167-K171 PolarHBondContact O-N 3.01Å |
| 168 | K | 90.8 | Very high | 89.1 | Confident | 118 Ų | 118 | 48.2 Ų | 48.2 | 51% | 0.513 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -68 | -40.4 | 174.9 | -177.8 | 178.6 | 179.7 | 179.4 | 0 | 111.8 | E164 D165 T172 | E164-K168 WeakPolarHBondContact O-CB 3.48Å; E164-K168 PolarHBondContact O-N 2.67Å; D165-K168 PolarHBondContact O-N 2.94Å; K168-T172 VanDerWaalsContact O-CB 3.31Å; K168-T172 WeakPolarHBondContact O-CB 3.46Å; K168-T172 PolarHBondContact O-N 3.43Å; K168-T172 PolarHBondContact O-OG1 2.82Å |
| 169 | E | 92.4 | Very high | 88.6 | Confident | 47 Ų | 47 | 56.2 Ų | 56.2 | 22% | 0.22 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -70.2 | -35.6 | 171.2 | -73.5 | -51.8 | 134.2 | 0 | 0 | 112.4 | M161 D165 V166 T172 C173 F198 H201 M202 | M161-E169 HydrophobicContact CE-CB 4.49Å; M161-E169 HydrophobicContact CE-CG 3.96Å; D165-E169 PolarHBondContact O-N 3.12Å; V166-E169 PolarHBondContact O-N 2.74Å; E169-T172 CarbonylContact O-C 3.48Å; E169-T172 WeakPolarHBondContact O-CB 2.76Å; E169-T172 PolarHBondContact O-N 2.89Å; E169-C173 WeakPolarHBondContact O-CB 3.31Å; E169-C173 PolarHBondContact O-N 3.46Å; E169-F198 HydrophobicContact CB-CE2 4.46Å; E169-H201 IonicContact OE2-CD2 2.99Å; E169-H201 IonicContact OE2-CE1 2.78Å; E169-H201 PolarHBondContact OE2-CE1 2.93Å; E169-H201 VanDerWaalsContact OE2-CE1 3.29Å; E169-H201 IonicContact OE2-NE2 3.36Å; E169-H201 PolarHBondContact OE2-NE2 3.36Å; E169-M202 HydrophobicContact CB-SD 3.91Å |
| 170 | L | 91.9 | Very high | 88.1 | Confident | 1 Ų | 1 | 64.5 Ų | 64.5 | 1% | 0.005 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -62.8 | -47.9 | 173 | -178.7 | 54.7 | 0 | 0 | 0 | 111.9 | V166 L167 T172 C173 I174 F198 F234 L237 V238 I241 | V166-L170 WeakPolarHBondContact O-CB 3.23Å; V166-L170 PolarHBondContact O-N 3.04Å; L167-L170 PolarHBondContact O-N 3.48Å; L170-T172 VanDerWaalsContact C-N 3.27Å; L170-T172 PolarHBondContact O-N 3.18Å; L170-C173 PolarHBondContact O-N 3.34Å; L170-I174 HydrophobicContact CD1-CD1 3.9Å; L170-I174 HydrophobicContact CD1-CG1 4.22Å; L170-I174 HydrophobicContact CG-CD1 3.98Å; L170-I174 WeakPolarHBondContact O-CB 3.36Å; L170-I174 WeakPolarHBondContact O-CG1 3.48Å; L170-I174 PolarHBondContact O-N 3.1Å; L170-F198 HydrophobicContact CB-CD2 4.43Å; L170-F198 HydrophobicContact CB-CE1 4.39Å; L170-F198 HydrophobicContact CB-CE2 3.79Å; L170-F198 HydrophobicContact CB-CZ 3.75Å; L170-F198 HydrophobicContact CD1-CB 4.44Å; L170-F198 HydrophobicContact CD1-CD1 4.03Å; L170-F198 HydrophobicContact CD1-CD2 3.75Å; L170-F198 HydrophobicContact CD1-CE1 4.22Å; L170-F198 HydrophobicContact CD1-CE2 3.98Å; L170-F198 HydrophobicContact CD1-CG 3.79Å; L170-F198 HydrophobicContact CD1-CZ 4.19Å; L170-F198 HydrophobicContact CG-CE2 4.49Å; L170-F198 HydrophobicContact CG-CZ 4.48Å; L170-F234 HydrophobicContact CD1-CE2 3.72Å; L170-F234 HydrophobicContact CD1-CZ 4.03Å; L170-F234 HydrophobicContact CD2-CE2 4.12Å; L170-L237 HydrophobicContact CD2-CB 4.21Å; L170-V238 HydrophobicContact CD1-CG2 4.48Å; L170-I241 HydrophobicContact CB-CD1 4.38Å; L170-I241 HydrophobicContact CD2-CD1 3.62Å; L170-I241 HydrophobicContact CG-CD1 3.75Å |
| 171 | K | 89.5 | Confident | 87 | Confident | 116 Ų | 116 | 65.5 Ų | 65.5 | 50% | 0.504 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -56.5 | -42 | 172 | -179.8 | 178.5 | 178.8 | 177.3 | 0 | 111.4 | L167 C175 | L167-K171 WeakPolarHBondContact O-CB 3.35Å; L167-K171 PolarHBondContact O-N 3.01Å; K171-C175 WeakPolarHBondContact O-CB 3.42Å; K171-C175 PolarHBondContact O-N 2.72Å; K171-C175 PolarHBondContact O-SG 3.4Å; K171-C175 VanDerWaalsContact O-SG 3.34Å |
| 172 | T | 90.6 | Very high | 85.7 | Confident | 45 Ų | 45 | 67.7 Ų | 67.7 | 28% | 0.276 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -66.7 | -41.8 | 178.4 | -63.5 | 0 | 0 | 0 | 0 | 112 | K168 E169 L170 K176 | K168-T172 VanDerWaalsContact O-CB 3.31Å; K168-T172 WeakPolarHBondContact O-CB 3.46Å; K168-T172 PolarHBondContact O-N 3.43Å; K168-T172 PolarHBondContact O-OG1 2.82Å; E169-T172 CarbonylContact O-C 3.48Å; E169-T172 WeakPolarHBondContact O-CB 2.76Å; E169-T172 PolarHBondContact O-N 2.89Å; L170-T172 VanDerWaalsContact C-N 3.27Å; L170-T172 PolarHBondContact O-N 3.18Å; T172-K176 HydrophobicContact CG2-CD 3.98Å; T172-K176 VanDerWaalsContact CG2-CE 3.49Å; T172-K176 WeakPolarHBondContact O-CB 3.19Å; T172-K176 VanDerWaalsContact O-CG 3.24Å; T172-K176 WeakPolarHBondContact O-CG 3.39Å; T172-K176 PolarHBondContact O-N 2.6Å |
| 173 | C | 90.4 | Very high | 84 | Confident | 0 Ų | 0 | 73 Ų | 73 | 0% | 0 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -65.5 | -44.1 | 176.5 | -172.2 | 0 | 0 | 0 | 0 | 111.8 | E169 L170 K176 N177 F198 H201 | E169-C173 WeakPolarHBondContact O-CB 3.31Å; E169-C173 PolarHBondContact O-N 3.46Å; L170-C173 PolarHBondContact O-N 3.34Å; C173-K176 PolarHBondContact O-N 3.12Å; C173-N177 WeakPolarHBondContact O-CB 3.28Å; C173-N177 PolarHBondContact O-N 2.8Å; C173-N177 PolarHBondContact O-ND2 2.88Å; C173-N177 VanDerWaalsContact O-ND2 3.07Å; C173-F198 HydrophobicContact CB-CD2 3.8Å; C173-F198 HydrophobicContact CB-CE2 4.34Å; C173-H201 HydrophobicContact CB-CB 4.37Å |
| 174 | I | 87.5 | Confident | 82.3 | Confident | 4 Ų | 4 | 79.2 Ų | 79.2 | 2% | 0.021 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -61.5 | -49.9 | 174.6 | -69.1 | 167.1 | 0 | 0 | 0 | 110.3 | L170 K176 N177 R178 W194 V238 I241 L245 | L170-I174 HydrophobicContact CD1-CD1 3.9Å; L170-I174 HydrophobicContact CD1-CG1 4.22Å; L170-I174 HydrophobicContact CG-CD1 3.98Å; L170-I174 WeakPolarHBondContact O-CB 3.36Å; L170-I174 WeakPolarHBondContact O-CG1 3.48Å; L170-I174 PolarHBondContact O-N 3.1Å; I174-K176 VanDerWaalsContact C-N 3.29Å; I174-K176 PolarHBondContact O-N 3.05Å; I174-N177 PolarHBondContact O-N 3.1Å; I174-R178 VanDerWaalsContact O-CB 3.3Å; I174-R178 WeakPolarHBondContact O-CB 3.42Å; I174-R178 PolarHBondContact O-N 3.24Å; I174-W194 HydrophobicContact CB-CH2 4.33Å; I174-W194 HydrophobicContact CB-CZ3 4.32Å; I174-W194 HydrophobicContact CG1-CE3 4.3Å; I174-W194 HydrophobicContact CG1-CH2 4.17Å; I174-W194 HydrophobicContact CG1-CZ3 3.86Å; I174-W194 HydrophobicContact CG2-CH2 4.29Å; I174-V238 HydrophobicContact CD1-CG1 4.4Å; I174-V238 HydrophobicContact CD1-CG2 4.43Å; I174-I241 HydrophobicContact CD1-CB 3.98Å; I174-I241 HydrophobicContact CD1-CD1 4.27Å; I174-I241 HydrophobicContact CD1-CG2 3.72Å; I174-L245 HydrophobicContact CG2-CD1 4.01Å |
| 175 | C | 86.1 | Confident | 80.7 | Confident | 51 Ų | 51 | 74.3 Ų | 74.3 | 35% | 0.345 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -59.9 | -35.3 | 177.3 | -75.3 | 0 | 0 | 0 | 0 | 113.5 | K171 | K171-C175 WeakPolarHBondContact O-CB 3.42Å; K171-C175 PolarHBondContact O-N 2.72Å; K171-C175 PolarHBondContact O-SG 3.4Å; K171-C175 VanDerWaalsContact O-SG 3.34Å |
| 176 | K | 86.7 | Confident | 79 | Confident | 130 Ų | 130 | 75.6 Ų | 75.6 | 57% | 0.565 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -73.1 | -34.8 | 175.9 | -75.2 | 168.1 | 179 | 169.7 | 0 | 113.4 | T172 C173 I174 | T172-K176 HydrophobicContact CG2-CD 3.98Å; T172-K176 VanDerWaalsContact CG2-CE 3.49Å; T172-K176 WeakPolarHBondContact O-CB 3.19Å; T172-K176 VanDerWaalsContact O-CG 3.24Å; T172-K176 WeakPolarHBondContact O-CG 3.39Å; T172-K176 PolarHBondContact O-N 2.6Å; C173-K176 PolarHBondContact O-N 3.12Å; I174-K176 VanDerWaalsContact C-N 3.29Å; I174-K176 PolarHBondContact O-N 3.05Å |
| 177 | N | 84.5 | Confident | 77.2 | Confident | 18 Ų | 18 | 80.6 Ų | 80.6 | 10% | 0.096 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -111.8 | 0.3 | -170.4 | -64.3 | -67.4 | 0 | 0 | 0 | 115 | C173 I174 Y179 R180 W193 W194 V197 | C173-N177 WeakPolarHBondContact O-CB 3.28Å; C173-N177 PolarHBondContact O-N 2.8Å; C173-N177 PolarHBondContact O-ND2 2.88Å; C173-N177 VanDerWaalsContact O-ND2 3.07Å; I174-N177 PolarHBondContact O-N 3.1Å; N177-Y179 PolarHBondContact O-N 2.96Å; N177-R180 HydrophobicContact CB-CB 4.45Å; N177-R180 WeakPolarHBondContact O-CA 3.26Å; N177-R180 WeakPolarHBondContact O-CB 3.36Å; N177-R180 PolarHBondContact O-N 2.95Å; N177-R180 VanDerWaalsContact OD1-CD 3.22Å; N177-R180 WeakPolarHBondContact OD1-CD 3.45Å; N177-R180 PolarHBondContact OD1-NH1 3.04Å; N177-W193 HydrophobicContact CB-CH2 4.09Å; N177-W194 HydrophobicContact CB-CH2 4.24Å; N177-W194 HydrophobicContact CB-CZ3 4.04Å; N177-V197 HydrophobicContact CB-CG1 4.23Å |
| 178 | R | 74.5 | Confident | 75.5 | Confident | 122 Ų | 122 | 80.8 Ų | 80.8 | 46% | 0.46 | 41% | 0.408 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56 | -25.2 | 178.4 | 67 | -176.2 | -169.2 | -175.4 | 5.1 | 114.9 | I174 | I174-R178 VanDerWaalsContact O-CB 3.3Å; I174-R178 WeakPolarHBondContact O-CB 3.42Å; I174-R178 PolarHBondContact O-N 3.24Å |
| 179 | Y | 74.5 | Confident | 74.4 | Confident | 189 Ų | 189 | 76.9 Ų | 76.9 | 74% | 0.741 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.3 | 8.3 | 176.1 | -52.4 | -66.5 | 0 | 0 | 0 | 113.7 | N177 | N177-Y179 PolarHBondContact O-N 2.96Š|
| 180 | R | 76.5 | Confident | 73.7 | Confident | 177 Ų | 177 | 76.1 Ų | 76.1 | 67% | 0.668 | 39% | 0.394 | S | S | * | . | trans | -111.7 | -2.7 | -179.3 | -80.3 | 175.6 | 155.4 | -167.1 | -6.3 | 113.8 | N177 P182 W193 | N177-R180 HydrophobicContact CB-CB 4.45Å; N177-R180 WeakPolarHBondContact O-CA 3.26Å; N177-R180 WeakPolarHBondContact O-CB 3.36Å; N177-R180 PolarHBondContact O-N 2.95Å; N177-R180 VanDerWaalsContact OD1-CD 3.22Å; N177-R180 WeakPolarHBondContact OD1-CD 3.45Å; N177-R180 PolarHBondContact OD1-NH1 3.04Å; R180-P182 VanDerWaalsContact O-CD 3.3Å; R180-P182 WeakPolarHBondContact O-CD 3.35Å; R180-W193 HydrophobicContact CB-CH2 4.05Å; R180-W193 HydrophobicContact CB-CZ2 4.1Å; R180-W193 VanDerWaalsContact O-CZ2 3.26Å; R180-W193 WeakPolarHBondContact O-CZ2 3.27Å | ||
| 181 | L | 66.7 | Low | 73.2 | Confident | 69 Ų | 69 | 80.4 Ų | 80.4 | 36% | 0.361 | 41% | 0.411 | S | S | . | . | trans | -58.8 | 118.4 | 176 | -174.6 | 67.9 | 0 | 0 | 0 | 108.7 | V190 W193 | L181-V190 HydrophobicContact CD1-CG1 4.01Å; L181-V190 HydrophobicContact CD1-CG2 4.48Å; L181-V190 HydrophobicContact CD2-CG1 4.35Å; L181-W193 HydrophobicContact CB-CH2 4.46Å; L181-W193 HydrophobicContact CB-CZ3 4.35Å; L181-W193 HydrophobicContact CD1-CD2 4.1Å; L181-W193 HydrophobicContact CD1-CE3 3.58Å; L181-W193 HydrophobicContact CD1-CZ3 3.87Å | ||
| 182 | P | 63.8 | Low | 72.6 | Confident | 58 Ų | 58 | 76.8 Ų | 76.8 | 38% | 0.377 | 40% | 0.4 | S | S | . | . | trans | -69.9 | 138.9 | -174.9 | -12.2 | 25 | 0 | 0 | 0 | 110.7 | R180 N184 V185 | R180-P182 VanDerWaalsContact O-CD 3.3Å; R180-P182 WeakPolarHBondContact O-CD 3.35Å; P182-N184 PolarHBondContact O-N 3.31Å; P182-V185 HydrophobicContact CB-CG2 3.73Å; P182-V185 HydrophobicContact CG-CG2 3.92Å; P182-V185 WeakPolarHBondContact O-CB 3.35Å; P182-V185 VanDerWaalsContact O-CG2 3.31Å; P182-V185 WeakPolarHBondContact O-CG2 3.44Å | ||
| 183 | T | 58.2 | Low | 72.4 | Confident | 140 Ų | 140 | 76.8 Ų | 76.8 | 86% | 0.859 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65 | -8.8 | -172.5 | 48.2 | 0 | 0 | 0 | 0 | 115.5 | ||
| 184 | N | 55.8 | Low | 72.3 | Confident | 148 Ų | 148 | 77.6 Ų | 77.6 | 79% | 0.791 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116.5 | 28.4 | -168.2 | -56 | 17.3 | 0 | 0 | 0 | 111.5 | P182 | P182-N184 PolarHBondContact O-N 3.31Š|
| 185 | V | 57.8 | Low | 72.3 | Confident | 39 Ų | 39 | 79.9 Ų | 79.9 | 24% | 0.236 | 41% | 0.409 | C | S | . | . | trans | -113.1 | 101.3 | -168.3 | 176.2 | 0 | 0 | 0 | 0 | 108.4 | P182 S189 V190 | P182-V185 HydrophobicContact CB-CG2 3.73Å; P182-V185 HydrophobicContact CG-CG2 3.92Å; P182-V185 WeakPolarHBondContact O-CB 3.35Å; P182-V185 VanDerWaalsContact O-CG2 3.31Å; P182-V185 WeakPolarHBondContact O-CG2 3.44Å; V185-S189 WeakPolarHBondContact CG1-OG 3.45Å; V185-V190 HydrophobicContact CB-CG2 4.35Å; V185-V190 HydrophobicContact CG1-CB 4.26Å; V185-V190 HydrophobicContact CG1-CG2 3.66Å; V185-V190 WeakPolarHBondContact O-CG2 3.43Å | ||
| 186 | S | 56.4 | Low | 72.3 | Confident | 55 Ų | 55 | 78.3 Ų | 78.3 | 39% | 0.385 | 40% | 0.399 | S | S | . | . | trans | -57.4 | 153.6 | 177.2 | 60.5 | 0 | 0 | 0 | 0 | 111.6 | G188 S189 V190 E676 | S186-G188 VanDerWaalsContact C-N 3.3Å; S186-G188 PolarHBondContact O-N 2.88Å; S186-S189 PolarHBondContact N-OG 2.95Å; S186-S189 VanDerWaalsContact N-OG 3.15Å; S186-S189 WeakPolarHBondContact O-CA 3.44Å; S186-S189 PolarHBondContact O-N 3.28Å; S186-S189 PolarHBondContact O-OG 3Å; S186-S189 PolarHBondContact OG-OG 3.18Å; S186-V190 PolarHBondContact O-N 3.21Å; S186-E676 WeakPolarHBondContact CA-OE2 3.15Å; S186-E676 WeakPolarHBondContact CB-OE1 3.11Å; S186-E676 WeakPolarHBondContact CB-OE2 3.4Å | ||
| 187 | Q | 54.3 | Low | 72.4 | Confident | 105 Ų | 105 | 73.2 Ų | 73.2 | 49% | 0.491 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -51.6 | -42.6 | -166.2 | -67.4 | -166.5 | -7.4 | 0 | 0 | 114.5 | S189 V190 Y191 E676 | Q187-S189 VanDerWaalsContact C-N 3.29Å; Q187-S189 PolarHBondContact O-N 3.47Å; Q187-V190 WeakPolarHBondContact O-CB 3.19Å; Q187-V190 PolarHBondContact O-N 3.39Å; Q187-Y191 WeakPolarHBondContact O-CD2 3.3Å; Q187-E676 PolarHBondContact N-OE2 3Å |
| 188 | G | 57 | Low | 72.7 | Confident | 64 Ų | 64 | 72.4 Ų | 72.4 | 66% | 0.66 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -64 | -31 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114 | S186 | S186-G188 VanDerWaalsContact C-N 3.3Å; S186-G188 PolarHBondContact O-N 2.88Å |
| 189 | S | 67.9 | Low | 73.5 | Confident | 37 Ų | 37 | 66.6 Ų | 66.6 | 26% | 0.259 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -81.4 | -22 | 178.9 | 65.3 | 0 | 0 | 0 | 0 | 113.6 | V185 S186 Q187 Y191 S192 W193 | V185-S189 WeakPolarHBondContact CG1-OG 3.45Å; S186-S189 PolarHBondContact N-OG 2.95Å; S186-S189 VanDerWaalsContact N-OG 3.15Å; S186-S189 WeakPolarHBondContact O-CA 3.44Å; S186-S189 PolarHBondContact O-N 3.28Å; S186-S189 PolarHBondContact O-OG 3Å; S186-S189 PolarHBondContact OG-OG 3.18Å; Q187-S189 VanDerWaalsContact C-N 3.29Å; Q187-S189 PolarHBondContact O-N 3.47Å; S189-Y191 VanDerWaalsContact C-N 3.31Å; S189-Y191 PolarHBondContact O-N 3.33Å; S189-S192 PolarHBondContact O-N 2.75Å; S189-S192 PolarHBondContact O-OG 3.34Å; S189-W193 PolarHBondContact O-N 3.29Å |
| 190 | V | 77.9 | Confident | 74.1 | Confident | 30 Ų | 30 | 61.9 Ų | 61.9 | 18% | 0.182 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -56.2 | -45.4 | 175.3 | 171.9 | 0 | 0 | 0 | 0 | 111.2 | L181 V185 S186 Q187 W193 W194 | L181-V190 HydrophobicContact CD1-CG1 4.01Å; L181-V190 HydrophobicContact CD1-CG2 4.48Å; L181-V190 HydrophobicContact CD2-CG1 4.35Å; V185-V190 HydrophobicContact CB-CG2 4.35Å; V185-V190 HydrophobicContact CG1-CB 4.26Å; V185-V190 HydrophobicContact CG1-CG2 3.66Å; V185-V190 WeakPolarHBondContact O-CG2 3.43Å; S186-V190 PolarHBondContact O-N 3.21Å; Q187-V190 WeakPolarHBondContact O-CB 3.19Å; Q187-V190 PolarHBondContact O-N 3.39Å; V190-W193 PolarHBondContact O-N 2.78Å; V190-W194 VanDerWaalsContact O-CD1 3.26Å; V190-W194 PolarHBondContact O-N 3.07Å |
| 191 | Y | 79.9 | Confident | 74.8 | Confident | 92 Ų | 92 | 55.1 Ų | 55.1 | 36% | 0.361 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -67.5 | -38.9 | 179.6 | -60.8 | -71.4 | 0 | 0 | 0 | 112.4 | Q187 S189 W193 W194 E195 S235 | Q187-Y191 WeakPolarHBondContact O-CD2 3.3Å; S189-Y191 VanDerWaalsContact C-N 3.31Å; S189-Y191 PolarHBondContact O-N 3.33Å; Y191-W193 VanDerWaalsContact C-N 3.3Å; Y191-W193 PolarHBondContact O-N 3.4Å; Y191-W194 PolarHBondContact O-N 3.33Å; Y191-E195 WeakPolarHBondContact O-CB 3.46Å; Y191-E195 PolarHBondContact O-N 3.37Å; Y191-S235 VanDerWaalsContact CE1-CB 3.48Å |
| 192 | S | 78.6 | Confident | 75.9 | Confident | 39 Ų | 39 | 51.9 Ų | 51.9 | 27% | 0.273 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -65.6 | -31.7 | 175.5 | 73.6 | 0 | 0 | 0 | 0 | 113.1 | S189 S196 | S189-S192 PolarHBondContact O-N 2.75Å; S189-S192 PolarHBondContact O-OG 3.34Å; S192-S196 PolarHBondContact O-N 2.8Å; S192-S196 VanDerWaalsContact O-N 3.14Å |
| 193 | W | 84.8 | Confident | 77.1 | Confident | 46 Ų | 46 | 49.9 Ų | 49.9 | 17% | 0.174 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -68.8 | -48.3 | 173.3 | -177.9 | 87.2 | 0 | 0 | 0 | 111 | N177 R180 L181 S189 V190 Y191 E195 S196 V197 | N177-W193 HydrophobicContact CB-CH2 4.09Å; R180-W193 HydrophobicContact CB-CH2 4.05Å; R180-W193 HydrophobicContact CB-CZ2 4.1Å; R180-W193 VanDerWaalsContact O-CZ2 3.26Å; R180-W193 WeakPolarHBondContact O-CZ2 3.27Å; L181-W193 HydrophobicContact CB-CH2 4.46Å; L181-W193 HydrophobicContact CB-CZ3 4.35Å; L181-W193 HydrophobicContact CD1-CD2 4.1Å; L181-W193 HydrophobicContact CD1-CE3 3.58Å; L181-W193 HydrophobicContact CD1-CZ3 3.87Å; S189-W193 PolarHBondContact O-N 3.29Å; V190-W193 PolarHBondContact O-N 2.78Å; Y191-W193 VanDerWaalsContact C-N 3.3Å; Y191-W193 PolarHBondContact O-N 3.4Å; W193-E195 VanDerWaalsContact C-N 3.28Å; W193-E195 PolarHBondContact O-N 3.17Å; W193-S196 PolarHBondContact O-N 3.39Å; W193-V197 HydrophobicContact CD2-CG2 3.94Å; W193-V197 HydrophobicContact CE3-CG2 4.31Å; W193-V197 HydrophobicContact CG-CG2 4.43Å; W193-V197 HydrophobicContact CH2-CG2 4.35Å; W193-V197 HydrophobicContact CZ2-CG2 3.95Å; W193-V197 WeakPolarHBondContact O-CB 3.42Å; W193-V197 VanDerWaalsContact O-CG2 3.27Å; W193-V197 WeakPolarHBondContact O-CG2 3.5Å; W193-V197 PolarHBondContact O-N 2.88Å |
| 194 | W | 88 | Confident | 78.4 | Confident | 17 Ų | 17 | 44.7 Ų | 44.7 | 6% | 0.064 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -60.6 | -36.9 | 174.3 | -78.7 | 115.4 | 0 | 0 | 0 | 112.7 | I174 N177 V190 Y191 F198 F234 V238 | I174-W194 HydrophobicContact CB-CH2 4.33Å; I174-W194 HydrophobicContact CB-CZ3 4.32Å; I174-W194 HydrophobicContact CG1-CE3 4.3Å; I174-W194 HydrophobicContact CG1-CH2 4.17Å; I174-W194 HydrophobicContact CG1-CZ3 3.86Å; I174-W194 HydrophobicContact CG2-CH2 4.29Å; N177-W194 HydrophobicContact CB-CH2 4.24Å; N177-W194 HydrophobicContact CB-CZ3 4.04Å; V190-W194 VanDerWaalsContact O-CD1 3.26Å; V190-W194 PolarHBondContact O-N 3.07Å; Y191-W194 PolarHBondContact O-N 3.33Å; W194-F198 VanDerWaalsContact O-CB 3.3Å; W194-F198 WeakPolarHBondContact O-CB 3.46Å; W194-F198 PolarHBondContact O-N 2.96Å; W194-F234 HydrophobicContact CB-CE1 3.91Å; W194-F234 HydrophobicContact CB-CZ 4.46Å; W194-V238 HydrophobicContact CB-CG2 4.4Å; W194-V238 HydrophobicContact CD2-CG1 4.21Å; W194-V238 HydrophobicContact CG-CG1 4.03Å |
| 195 | E | 88.5 | Confident | 79.9 | Confident | 52 Ų | 52 | 39.8 Ų | 39.8 | 24% | 0.243 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -61.6 | -50 | 177.5 | -163.9 | -172.2 | 160.1 | 0 | 0 | 111 | Y191 W193 T199 K220 L221 F234 | Y191-E195 WeakPolarHBondContact O-CB 3.46Å; Y191-E195 PolarHBondContact O-N 3.37Å; W193-E195 VanDerWaalsContact C-N 3.28Å; W193-E195 PolarHBondContact O-N 3.17Å; E195-T199 WeakPolarHBondContact O-CB 3.35Å; E195-T199 PolarHBondContact O-N 3.48Å; E195-T199 PolarHBondContact O-OG1 3.44Å; E195-K220 VanDerWaalsContact OE1-CA 3.24Å; E195-K220 WeakPolarHBondContact OE1-CA 3.49Å; E195-L221 HydrophobicContact CG-CB 4.47Å; E195-L221 HydrophobicContact CG-CD1 3.74Å; E195-L221 HydrophobicContact CG-CG 3.61Å; E195-L221 PolarHBondContact OE1-N 2.92Å; E195-F234 HydrophobicContact CB-CD1 4.4Å; E195-F234 HydrophobicContact CB-CE1 4.29Å |
| 196 | S | 85.9 | Confident | 81.2 | Confident | 18 Ų | 18 | 38 Ų | 38 | 13% | 0.126 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -67.5 | -42.4 | 179.1 | -165.7 | 0 | 0 | 0 | 0 | 112.1 | S192 W193 T199 E200 Q219 | S192-S196 PolarHBondContact O-N 2.8Å; S192-S196 VanDerWaalsContact O-N 3.14Å; W193-S196 PolarHBondContact O-N 3.39Å; S196-T199 PolarHBondContact O-N 3.46Å; S196-E200 WeakPolarHBondContact O-CG 3.22Å; S196-E200 PolarHBondContact O-N 2.95Å; S196-Q219 WeakPolarHBondContact CA-O 3.26Å; S196-Q219 PolarHBondContact OG-N 2.9Å |
| 197 | V | 88.5 | Confident | 82 | Confident | 23 Ų | 23 | 38 Ų | 38 | 14% | 0.139 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -66.3 | -38.2 | 179.6 | 168.7 | 0 | 0 | 0 | 0 | 111.8 | N177 W193 H201 | N177-V197 HydrophobicContact CB-CG1 4.23Å; W193-V197 HydrophobicContact CD2-CG2 3.94Å; W193-V197 HydrophobicContact CE3-CG2 4.31Å; W193-V197 HydrophobicContact CG-CG2 4.43Å; W193-V197 HydrophobicContact CH2-CG2 4.35Å; W193-V197 HydrophobicContact CZ2-CG2 3.95Å; W193-V197 WeakPolarHBondContact O-CB 3.42Å; W193-V197 VanDerWaalsContact O-CG2 3.27Å; W193-V197 WeakPolarHBondContact O-CG2 3.5Å; W193-V197 PolarHBondContact O-N 2.88Å; V197-H201 WeakPolarHBondContact O-CB 3.41Å; V197-H201 PolarHBondContact O-N 3.43Å; V197-H201 VanDerWaalsContact O-N 3.09Å |
| 198 | F | 92 | Very high | 82.4 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -75.3 | -35.2 | 175.5 | -174.3 | -120.4 | 0 | 0 | 0 | 112.4 | V166 E169 L170 C173 W194 H201 M202 L221 I231 F234 | V166-F198 HydrophobicContact CG1-CZ 4.34Å; E169-F198 HydrophobicContact CB-CE2 4.46Å; L170-F198 HydrophobicContact CB-CD2 4.43Å; L170-F198 HydrophobicContact CB-CE1 4.39Å; L170-F198 HydrophobicContact CB-CE2 3.79Å; L170-F198 HydrophobicContact CB-CZ 3.75Å; L170-F198 HydrophobicContact CD1-CB 4.44Å; L170-F198 HydrophobicContact CD1-CD1 4.03Å; L170-F198 HydrophobicContact CD1-CD2 3.75Å; L170-F198 HydrophobicContact CD1-CE1 4.22Å; L170-F198 HydrophobicContact CD1-CE2 3.98Å; L170-F198 HydrophobicContact CD1-CG 3.79Å; L170-F198 HydrophobicContact CD1-CZ 4.19Å; L170-F198 HydrophobicContact CG-CE2 4.49Å; L170-F198 HydrophobicContact CG-CZ 4.48Å; C173-F198 HydrophobicContact CB-CD2 3.8Å; C173-F198 HydrophobicContact CB-CE2 4.34Å; W194-F198 VanDerWaalsContact O-CB 3.3Å; W194-F198 WeakPolarHBondContact O-CB 3.46Å; W194-F198 PolarHBondContact O-N 2.96Å; F198-H201 PolarHBondContact O-N 2.91Å; F198-M202 HydrophobicContact CD1-CG 4.2Å; F198-M202 HydrophobicContact CD2-CG 4.08Å; F198-M202 HydrophobicContact CE1-CG 3.72Å; F198-M202 HydrophobicContact CE1-SD 4.34Å; F198-M202 HydrophobicContact CE2-CG 3.56Å; F198-M202 HydrophobicContact CE2-SD 3.75Å; F198-M202 HydrophobicContact CG-CG 4.38Å; F198-M202 HydrophobicContact CZ-CG 3.37Å; F198-M202 HydrophobicContact CZ-SD 3.51Å; F198-M202 VanDerWaalsContact CZ-SD 3.51Å; F198-M202 WeakPolarHBondContact O-CB 3.47Å; F198-M202 WeakPolarHBondContact O-CG 3.41Å; F198-M202 PolarHBondContact O-N 2.89Å; F198-L221 HydrophobicContact CD1-CD2 3.99Å; F198-I231 HydrophobicContact CD1-CD1 4.46Å; F198-I231 HydrophobicContact CE1-CD1 3.71Å; F198-F234 HydrophobicContact CB-CE2 4.25Å; F198-F234 HydrophobicContact CB-CZ 3.75Å; F198-F234 AromaticContact CD1-CE2 3.55Å; F198-F234 HydrophobicContact CD1-CE2 3.55Å; F198-F234 AromaticContact CD1-CZ 3.96Å; F198-F234 HydrophobicContact CD1-CZ 3.96Å; F198-F234 HydrophobicContact CE1-CE2 4.25Å; F198-F234 HydrophobicContact CG-CE2 4.12Å; F198-F234 HydrophobicContact CG-CZ 4.12Å |
| 199 | T | 90.4 | Very high | 82.2 | Confident | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -62.3 | -46.6 | 173.4 | -55.9 | 0 | 0 | 0 | 0 | 111 | E195 S196 H201 M202 L203 Q219 Q223 L224 | E195-T199 WeakPolarHBondContact O-CB 3.35Å; E195-T199 PolarHBondContact O-N 3.48Å; E195-T199 PolarHBondContact O-OG1 3.44Å; S196-T199 PolarHBondContact O-N 3.46Å; T199-H201 PolarHBondContact O-N 3.13Å; T199-M202 PolarHBondContact O-N 3.36Å; T199-L203 HydrophobicContact CG2-CD1 4.09Å; T199-L203 HydrophobicContact CG2-CG 4.39Å; T199-L203 WeakPolarHBondContact O-CB 3.19Å; T199-L203 WeakPolarHBondContact O-CG 3.31Å; T199-L203 PolarHBondContact O-N 3.18Å; T199-Q219 HydrophobicContact CG2-CB 3.82Å; T199-Q223 HydrophobicContact CG2-CB 4.33Å; T199-L224 HydrophobicContact CG2-CD2 4.48Å |
| 200 | E | 87.6 | Confident | 81.2 | Confident | 91 Ų | 91 | 53.9 Ų | 53.9 | 43% | 0.425 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -59.8 | -42.9 | 174.4 | -79 | -172.7 | 165 | 0 | 0 | 112.5 | S196 G204 Q219 | S196-E200 WeakPolarHBondContact O-CG 3.22Å; S196-E200 PolarHBondContact O-N 2.95Å; E200-G204 PolarHBondContact O-N 2.95Å; E200-Q219 VanDerWaalsContact CG-CD 3.46Å; E200-Q219 HydrophobicContact CG-CG 4.43Å; E200-Q219 VanDerWaalsContact CG-NE2 3.33Å; E200-Q219 PolarHBondContact OE1-NE2 3.2Å |
| 201 | H | 89.8 | Confident | 79.6 | Confident | 35 Ų | 35 | 56.1 Ų | 56.1 | 16% | 0.162 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -60.8 | -48.1 | 176.5 | 174.7 | 94 | 0 | 0 | 0 | 111.6 | E169 C173 V197 F198 T199 G204 V205 | E169-H201 IonicContact OE2-CD2 2.99Å; E169-H201 IonicContact OE2-CE1 2.78Å; E169-H201 PolarHBondContact OE2-CE1 2.93Å; E169-H201 VanDerWaalsContact OE2-CE1 3.29Å; E169-H201 IonicContact OE2-NE2 3.36Å; E169-H201 PolarHBondContact OE2-NE2 3.36Å; C173-H201 HydrophobicContact CB-CB 4.37Å; V197-H201 WeakPolarHBondContact O-CB 3.41Å; V197-H201 PolarHBondContact O-N 3.43Å; V197-H201 VanDerWaalsContact O-N 3.09Å; F198-H201 PolarHBondContact O-N 2.91Å; T199-H201 PolarHBondContact O-N 3.13Å; H201-G204 PolarHBondContact O-N 3.32Å; H201-V205 WeakPolarHBondContact O-CG2 2.91Å; H201-V205 PolarHBondContact O-N 3.47Å; H201-V205 VanDerWaalsContact O-N 3.13Å |
| 202 | M | 91.3 | Very high | 77.8 | Confident | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -65.8 | -42.8 | 179.1 | -73.5 | -63.3 | -63.4 | 0 | 0 | 112.4 | M161 V166 E169 F198 T199 G204 V205 L206 L224 I229 | M161-M202 HydrophobicContact CE-CE 3.84Å; M161-M202 HydrophobicContact CE-SD 4.43Å; M161-M202 HydrophobicContact SD-CE 3.87Å; V166-M202 HydrophobicContact CG2-CE 4.35Å; E169-M202 HydrophobicContact CB-SD 3.91Å; F198-M202 HydrophobicContact CD1-CG 4.2Å; F198-M202 HydrophobicContact CD2-CG 4.08Å; F198-M202 HydrophobicContact CE1-CG 3.72Å; F198-M202 HydrophobicContact CE1-SD 4.34Å; F198-M202 HydrophobicContact CE2-CG 3.56Å; F198-M202 HydrophobicContact CE2-SD 3.75Å; F198-M202 HydrophobicContact CG-CG 4.38Å; F198-M202 HydrophobicContact CZ-CG 3.37Å; F198-M202 HydrophobicContact CZ-SD 3.51Å; F198-M202 VanDerWaalsContact CZ-SD 3.51Å; F198-M202 WeakPolarHBondContact O-CB 3.47Å; F198-M202 WeakPolarHBondContact O-CG 3.41Å; F198-M202 PolarHBondContact O-N 2.89Å; T199-M202 PolarHBondContact O-N 3.36Å; M202-G204 VanDerWaalsContact C-N 3.28Å; M202-G204 PolarHBondContact O-N 3.19Å; M202-V205 WeakPolarHBondContact O-CB 3.33Å; M202-V205 PolarHBondContact O-N 3.4Å; M202-V205 VanDerWaalsContact O-N 3.12Å; M202-L206 HydrophobicContact CB-CD1 4.5Å; M202-L206 WeakPolarHBondContact O-CB 3.28Å; M202-L206 WeakPolarHBondContact O-CD1 3.41Å; M202-L206 VanDerWaalsContact O-CG 3.24Å; M202-L206 WeakPolarHBondContact O-CG 3.44Å; M202-L206 PolarHBondContact O-N 3.18Å; M202-L224 HydrophobicContact CB-CD1 3.96Å; M202-L224 HydrophobicContact CB-CD2 3.73Å; M202-L224 HydrophobicContact CG-CD1 4.07Å; M202-I229 HydrophobicContact CE-CD1 3.76Å |
| 203 | L | 88.5 | Confident | 75.9 | Confident | 17 Ų | 17 | 63.5 Ų | 63.5 | 9% | 0.089 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -62.7 | -35.8 | 175 | -69.9 | 177.5 | 0 | 0 | 0 | 111.9 | T199 V205 L206 D207 L224 Y227 | T199-L203 HydrophobicContact CG2-CD1 4.09Å; T199-L203 HydrophobicContact CG2-CG 4.39Å; T199-L203 WeakPolarHBondContact O-CB 3.19Å; T199-L203 WeakPolarHBondContact O-CG 3.31Å; T199-L203 PolarHBondContact O-N 3.18Å; L203-V205 VanDerWaalsContact C-N 3.34Å; L203-V205 PolarHBondContact O-N 3.48Å; L203-L206 PolarHBondContact O-N 2.76Å; L203-D207 PolarHBondContact O-N 3Å; L203-L224 HydrophobicContact CD2-CD2 4.03Å; L203-L224 HydrophobicContact CG-CD2 4.22Å; L203-Y227 HydrophobicContact CD2-CD2 4.45Å; L203-Y227 HydrophobicContact CD2-CE2 3.54Å |
| 204 | G | 86.1 | Confident | 73.5 | Confident | 30 Ų | 30 | 69.5 Ų | 69.5 | 31% | 0.309 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -62.6 | -36.2 | 172.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | E200 H201 M202 N208 | E200-G204 PolarHBondContact O-N 2.95Å; H201-G204 PolarHBondContact O-N 3.32Å; M202-G204 VanDerWaalsContact C-N 3.28Å; M202-G204 PolarHBondContact O-N 3.19Å; G204-N208 PolarHBondContact O-N 3.11Å |
| 205 | V | 87 | Confident | 71.1 | Confident | 45 Ų | 45 | 72.9 Ų | 72.9 | 27% | 0.273 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -71.2 | -38.3 | 173.6 | 172.5 | 0 | 0 | 0 | 0 | 111.6 | H201 M202 L203 | H201-V205 WeakPolarHBondContact O-CG2 2.91Å; H201-V205 PolarHBondContact O-N 3.47Å; H201-V205 VanDerWaalsContact O-N 3.13Å; M202-V205 WeakPolarHBondContact O-CB 3.33Å; M202-V205 PolarHBondContact O-N 3.4Å; M202-V205 VanDerWaalsContact O-N 3.12Å; L203-V205 VanDerWaalsContact C-N 3.34Å; L203-V205 PolarHBondContact O-N 3.48Å |
| 206 | L | 85.7 | Confident | 69.1 | Low | 2 Ų | 2 | 78.5 Ų | 78.5 | 1% | 0.01 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -81.4 | -44 | -173 | -70.1 | 161.6 | 0 | 0 | 0 | 113.7 | A158 M159 M202 L203 L224 Y227 | A158-L206 WeakPolarHBondContact O-CD2 3.28Å; M159-L206 HydrophobicContact CE-CD2 4.49Å; M159-L206 WeakPolarHBondContact CE-O 3.16Å; M202-L206 HydrophobicContact CB-CD1 4.5Å; M202-L206 WeakPolarHBondContact O-CB 3.28Å; M202-L206 WeakPolarHBondContact O-CD1 3.41Å; M202-L206 VanDerWaalsContact O-CG 3.24Å; M202-L206 WeakPolarHBondContact O-CG 3.44Å; M202-L206 PolarHBondContact O-N 3.18Å; L203-L206 PolarHBondContact O-N 2.76Å; L206-L224 HydrophobicContact CD1-CD2 4.09Å; L206-Y227 HydrophobicContact CB-CD1 4.16Å; L206-Y227 HydrophobicContact CB-CE1 3.99Å; L206-Y227 HydrophobicContact CD1-CD1 4.27Å; L206-Y227 HydrophobicContact CD1-CD2 3.7Å; L206-Y227 HydrophobicContact CD1-CE2 4.11Å; L206-Y227 HydrophobicContact CD1-CG 3.78Å; L206-Y227 HydrophobicContact CD2-CD1 4.09Å; L206-Y227 HydrophobicContact CD2-CG 4.17Å; L206-Y227 HydrophobicContact CG-CD1 4.41Å; L206-Y227 HydrophobicContact CG-CG 4.38Å |
| 207 | D | 73.2 | Confident | 67.6 | Low | 54 Ų | 54 | 85.1 Ų | 85.1 | 29% | 0.289 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -96.2 | -7.6 | -175.1 | -80.4 | -10.7 | 0 | 0 | 0 | 114.2 | R145 L203 F209 Y227 | R145-D207 IonicContact CZ-OD1 3.72Å; R145-D207 IonicContact NH1-OD1 3.89Å; R145-D207 PolarHBondContact NH1-OD1 3.01Å; R145-D207 IonicContact NH2-OD1 3.31Å; R145-D207 PolarHBondContact NH2-OD1 3.26Å; L203-D207 PolarHBondContact O-N 3Å; D207-F209 PolarHBondContact O-N 2.95Å; D207-Y227 PolarHBondContact OD1-OH 2.9Å; D207-Y227 PolarHBondContact OD2-OH 2.92Å |
| 208 | N | 62.1 | Low | 66.2 | Low | 140 Ų | 140 | 91.8 Ų | 91.8 | 75% | 0.749 | 46% | 0.457 | S | S | * | . | trans | 56.8 | -9.6 | -174.7 | -82.8 | -70.3 | 0 | 0 | 0 | 116.5 | G204 | G204-N208 PolarHBondContact O-N 3.11Š| ||
| 209 | F | 52.8 | Low | 64.9 | Low | 172 Ų | 172 | 93.1 Ų | 93.1 | 75% | 0.754 | 46% | 0.463 | S | S | * | . | S | Bend | trans | -77.1 | 134.3 | 171.7 | -87.5 | -92 | 0 | 0 | 0 | 110.7 | D207 V211 | D207-F209 PolarHBondContact O-N 2.95Å; F209-V211 PolarHBondContact O-N 2.89Å; F209-V211 VanDerWaalsContact O-N 3.1Å |
| 210 | R | 45.8 | Very low | 64.5 | Low | 229 Ų | 229 | 98.8 Ų | 98.8 | 86% | 0.864 | 49% | 0.488 | S | S | * | . | trans | -62.6 | 113 | 163.2 | -67.5 | -178.5 | 179.6 | -176.3 | -0.5 | 107.7 | V212 | R210-V212 PolarHBondContact O-N 3.29Š| ||
| 211 | V | 44.5 | Very low | 64.5 | Low | 77 Ų | 77 | 95.1 Ų | 95.1 | 47% | 0.467 | 47% | 0.471 | S | S | . | . | trans | -59.8 | 108.4 | 169.3 | 179.9 | 0 | 0 | 0 | 0 | 107.4 | F209 | F209-V211 PolarHBondContact O-N 2.89Å; F209-V211 VanDerWaalsContact O-N 3.1Å | ||
| 212 | V | 42.7 | Very low | 64.3 | Low | 128 Ų | 128 | 98.2 Ų | 98.2 | 78% | 0.776 | 49% | 0.489 | S | S | * | . | trans | -75.7 | 142.8 | 176.6 | 178.7 | 0 | 0 | 0 | 0 | 108.2 | R210 | R210-V212 PolarHBondContact O-N 3.29Š| ||
| 213 | Q | 38.4 | Very low | 64.1 | Low | 157 Ų | 157 | 102.5 Ų | 102.5 | 73% | 0.734 | 51% | 0.509 | S | S | * | . | S | Bend | trans | -60.2 | 165.1 | -174.4 | -65.5 | 169.2 | -42.6 | 0 | 0 | 113 | ||
| 214 | H | 34.7 | Very low | 64.3 | Low | 172 Ų | 172 | 101.7 Ų | 101.7 | 80% | 0.796 | 51% | 0.505 | S | S | * | . | trans | 92.2 | 69.5 | 169.8 | -44.4 | -61.1 | 0 | 0 | 0 | 117.9 | ||||
| 215 | S | 38 | Very low | 64.5 | Low | 88 Ų | 88 | 100.7 Ų | 100.7 | 62% | 0.615 | 49% | 0.493 | S | S | * | . | trans | -141.4 | 137.9 | 132 | 74.6 | 0 | 0 | 0 | 0 | 110.1 | Q217 | S215-Q217 PolarHBondContact O-N 3.18Š| ||
| 216 | N | 45.5 | Very low | 64.7 | Low | 170 Ų | 170 | 102.5 Ų | 102.5 | 91% | 0.909 | 50% | 0.497 | S | S | * | . | trans | -84.8 | 44.2 | -177.3 | -71.8 | 1.6 | 0 | 0 | 0 | 111.8 | ||||
| 217 | Q | 53.9 | Low | 65 | Low | 157 Ų | 157 | 102.7 Ų | 102.7 | 73% | 0.734 | 50% | 0.498 | S | S | * | . | S | Bend | trans | -124.8 | 118.2 | 178.6 | -69.7 | -174.4 | -14.7 | 0 | 0 | 109.3 | S215 Q219 | S215-Q217 PolarHBondContact O-N 3.18Å; Q217-Q219 PolarHBondContact O-N 3.4Å |
| 218 | Y | 59.7 | Low | 65.9 | Low | 164 Ų | 164 | 100.1 Ų | 100.1 | 64% | 0.643 | 49% | 0.485 | S | S | * | . | trans | -55.3 | 125.7 | 177.2 | -66.1 | -94.1 | 0 | 0 | 0 | 110.2 | ||||
| 219 | Q | 65.3 | Low | 67.4 | Low | 27 Ų | 27 | 93.7 Ų | 93.7 | 13% | 0.126 | 45% | 0.45 | C | S | . | . | trans | -75 | 142.5 | 175.5 | -59.5 | -173.4 | 15.7 | 0 | 0 | 109.6 | S196 T199 E200 Q217 | S196-Q219 WeakPolarHBondContact CA-O 3.26Å; S196-Q219 PolarHBondContact OG-N 2.9Å; T199-Q219 HydrophobicContact CG2-CB 3.82Å; E200-Q219 VanDerWaalsContact CG-CD 3.46Å; E200-Q219 HydrophobicContact CG-CG 4.43Å; E200-Q219 VanDerWaalsContact CG-NE2 3.33Å; E200-Q219 PolarHBondContact OE1-NE2 3.2Å; Q217-Q219 PolarHBondContact O-N 3.4Å | ||
| 220 | K | 80.9 | Confident | 69.3 | Low | 120 Ų | 120 | 87.6 Ų | 87.6 | 52% | 0.522 | 42% | 0.422 | S | S | . | . | trans | -112.4 | 148.7 | -178.5 | -71.4 | -168 | 171.2 | -164.7 | 0 | 111.7 | E195 D222 Q223 | E195-K220 VanDerWaalsContact OE1-CA 3.24Å; E195-K220 WeakPolarHBondContact OE1-CA 3.49Å; K220-D222 PolarHBondContact O-N 3.28Å; K220-D222 VanDerWaalsContact O-N 3.08Å; K220-Q223 WeakPolarHBondContact O-CB 3.41Å; K220-Q223 WeakPolarHBondContact O-CG 3.4Å; K220-Q223 PolarHBondContact O-N 2.88Å | ||
| 221 | L | 87.6 | Confident | 71.5 | Confident | 14 Ų | 14 | 77.5 Ų | 77.5 | 7% | 0.073 | 39% | 0.385 | C | S | . | . | G | 310 helix | trans | -58.5 | -24.4 | 178.2 | -72.7 | 164.7 | 0 | 0 | 0 | 113.6 | E195 F198 Q223 L224 I231 F234 | E195-L221 HydrophobicContact CG-CB 4.47Å; E195-L221 HydrophobicContact CG-CD1 3.74Å; E195-L221 HydrophobicContact CG-CG 3.61Å; E195-L221 PolarHBondContact OE1-N 2.92Å; F198-L221 HydrophobicContact CD1-CD2 3.99Å; L221-Q223 PolarHBondContact O-N 3.3Å; L221-Q223 VanDerWaalsContact O-N 3.09Å; L221-L224 HydrophobicContact CD2-CD1 3.92Å; L221-L224 WeakPolarHBondContact O-CB 3.37Å; L221-L224 PolarHBondContact O-N 3.43Å; L221-I231 HydrophobicContact CD1-CB 4.38Å; L221-I231 HydrophobicContact CD2-CD1 4.33Å; L221-F234 HydrophobicContact CD1-CB 3.64Å; L221-F234 HydrophobicContact CD1-CD1 4.01Å; L221-F234 HydrophobicContact CD1-CD2 3.83Å; L221-F234 HydrophobicContact CD1-CE2 4.48Å; L221-F234 HydrophobicContact CD1-CG 3.55Å |
| 222 | D | 86.6 | Confident | 73.6 | Confident | 99 Ų | 99 | 77.1 Ų | 77.1 | 53% | 0.529 | 38% | 0.377 | S | S | . | . | G | 310 helix | trans | -54.8 | -25.9 | 174.2 | -58 | -44.5 | 0 | 0 | 0 | 112.7 | K220 L224 A225 | K220-D222 PolarHBondContact O-N 3.28Å; K220-D222 VanDerWaalsContact O-N 3.08Å; D222-L224 PolarHBondContact O-N 3.4Å; D222-A225 VanDerWaalsContact O-CB 3.3Å; D222-A225 WeakPolarHBondContact O-CB 3.38Å; D222-A225 PolarHBondContact O-N 3.47Å |
| 223 | Q | 87.5 | Confident | 75.7 | Confident | 90 Ų | 90 | 72.9 Ų | 72.9 | 42% | 0.421 | 36% | 0.359 | S | S | . | . | G | 310 helix | trans | -66.3 | -18.6 | 175.8 | -62.8 | -170.9 | 26.5 | 0 | 0 | 113.6 | T199 K220 L221 | T199-Q223 HydrophobicContact CG2-CB 4.33Å; K220-Q223 WeakPolarHBondContact O-CB 3.41Å; K220-Q223 WeakPolarHBondContact O-CG 3.4Å; K220-Q223 PolarHBondContact O-N 2.88Å; L221-Q223 PolarHBondContact O-N 3.3Å; L221-Q223 VanDerWaalsContact O-N 3.09Å |
| 224 | L | 91.5 | Very high | 78.1 | Confident | 1 Ų | 1 | 66.3 Ų | 66.3 | 1% | 0.005 | 33% | 0.328 | C | S | . | . | G | 310 helix | trans | -80.9 | -17.3 | 177.5 | -54.9 | -177.8 | 0 | 0 | 0 | 112.7 | T199 M202 L203 L206 L221 D222 K226 Y227 I229 | T199-L224 HydrophobicContact CG2-CD2 4.48Å; M202-L224 HydrophobicContact CB-CD1 3.96Å; M202-L224 HydrophobicContact CB-CD2 3.73Å; M202-L224 HydrophobicContact CG-CD1 4.07Å; L203-L224 HydrophobicContact CD2-CD2 4.03Å; L203-L224 HydrophobicContact CG-CD2 4.22Å; L206-L224 HydrophobicContact CD1-CD2 4.09Å; L221-L224 HydrophobicContact CD2-CD1 3.92Å; L221-L224 WeakPolarHBondContact O-CB 3.37Å; L221-L224 PolarHBondContact O-N 3.43Å; D222-L224 PolarHBondContact O-N 3.4Å; L224-K226 VanDerWaalsContact C-N 3.28Å; L224-K226 PolarHBondContact O-N 3.36Å; L224-Y227 PolarHBondContact O-N 3.43Å; L224-I229 CarbonylContact C-O 3.58Å; L224-I229 HydrophobicContact CB-CB 4.25Å; L224-I229 HydrophobicContact CB-CG2 4.46Å; L224-I229 PolarHBondContact O-N 2.96Å |
| 225 | A | 91.7 | Very high | 80.4 | Confident | 8 Ų | 8 | 60.7 Ų | 60.7 | 7% | 0.066 | 31% | 0.308 | C | S | . | . | G | 310 helix | trans | -58.2 | -37 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | L137 V139 D222 Y227 G228 I229 | L137-A225 WeakPolarHBondContact O-CB 3.5Å; V139-A225 HydrophobicContact CB-CB 4.35Å; D222-A225 VanDerWaalsContact O-CB 3.3Å; D222-A225 WeakPolarHBondContact O-CB 3.38Å; D222-A225 PolarHBondContact O-N 3.47Å; A225-Y227 PolarHBondContact O-N 3.36Å; A225-G228 PolarHBondContact O-N 3.25Å; A225-I229 WeakPolarHBondContact CA-O 3.5Å; A225-I229 PolarHBondContact N-O 2.93Å |
| 226 | K | 90.7 | Very high | 82.7 | Confident | 83 Ų | 83 | 61.4 Ų | 61.4 | 36% | 0.361 | 30% | 0.302 | S | S | . | . | G | 310 helix | trans | -64.8 | -20.7 | 176 | 70.4 | 176.8 | -173.6 | 163.6 | 0 | 113.7 | V139 F142 D143 L224 G228 | V139-K226 HydrophobicContact CG2-CB 4.28Å; F142-K226 WeakPolarHBondContact CA-O 3.2Å; D143-K226 PolarHBondContact N-O 2.88Å; L224-K226 VanDerWaalsContact C-N 3.28Å; L224-K226 PolarHBondContact O-N 3.36Å; K226-G228 VanDerWaalsContact C-N 3.33Å |
| 227 | Y | 91.9 | Very high | 84.7 | Confident | 6 Ų | 6 | 54 Ų | 54 | 2% | 0.024 | 26% | 0.262 | C | S | . | . | G | 310 helix | trans | -92 | 7.2 | 172.9 | -56.9 | -84.7 | 0 | 0 | 0 | 112.8 | D143 M159 L203 L206 D207 L224 A225 | D143-Y227 HydrophobicContact CB-CD1 4.42Å; M159-Y227 HydrophobicContact CE-CD1 4.27Å; M159-Y227 HydrophobicContact CE-CE1 4.29Å; M159-Y227 HydrophobicContact SD-CD1 4.15Å; L203-Y227 HydrophobicContact CD2-CD2 4.45Å; L203-Y227 HydrophobicContact CD2-CE2 3.54Å; L206-Y227 HydrophobicContact CB-CD1 4.16Å; L206-Y227 HydrophobicContact CB-CE1 3.99Å; L206-Y227 HydrophobicContact CD1-CD1 4.27Å; L206-Y227 HydrophobicContact CD1-CD2 3.7Å; L206-Y227 HydrophobicContact CD1-CE2 4.11Å; L206-Y227 HydrophobicContact CD1-CG 3.78Å; L206-Y227 HydrophobicContact CD2-CD1 4.09Å; L206-Y227 HydrophobicContact CD2-CG 4.17Å; L206-Y227 HydrophobicContact CG-CD1 4.41Å; L206-Y227 HydrophobicContact CG-CG 4.38Å; D207-Y227 PolarHBondContact OD1-OH 2.9Å; D207-Y227 PolarHBondContact OD2-OH 2.92Å; L224-Y227 PolarHBondContact O-N 3.43Å; A225-Y227 PolarHBondContact O-N 3.36Å |
| 228 | G | 91.9 | Very high | 86.2 | Confident | 1 Ų | 1 | 46.8 Ų | 46.8 | 1% | 0.01 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 81.6 | 14.2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | T105 L106 A225 K226 | T105-G228 CarbonylContact C-O 3.43Å; T105-G228 WeakPolarHBondContact CA-O 3.35Å; L106-G228 PolarHBondContact N-O 3Å; A225-G228 PolarHBondContact O-N 3.25Å; K226-G228 VanDerWaalsContact C-N 3.33Å |
| 229 | I | 93.8 | Very high | 87.4 | Confident | 4 Ų | 4 | 43.8 Ų | 43.8 | 2% | 0.021 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 128.5 | -179.4 | -59.8 | 169.1 | 0 | 0 | 0 | 109.4 | M161 V166 M202 L224 A225 I231 | M161-I229 HydrophobicContact CB-CD1 4.33Å; M161-I229 HydrophobicContact SD-CD1 4.2Å; V166-I229 HydrophobicContact CG1-CG2 4.36Å; V166-I229 HydrophobicContact CG2-CD1 4.02Å; V166-I229 HydrophobicContact CG2-CG1 4.36Å; V166-I229 HydrophobicContact CG2-CG2 4.09Å; M202-I229 HydrophobicContact CE-CD1 3.76Å; L224-I229 CarbonylContact C-O 3.58Å; L224-I229 HydrophobicContact CB-CB 4.25Å; L224-I229 HydrophobicContact CB-CG2 4.46Å; L224-I229 PolarHBondContact O-N 2.96Å; A225-I229 WeakPolarHBondContact CA-O 3.5Å; A225-I229 PolarHBondContact N-O 2.93Å; I229-I231 HydrophobicContact CG2-CG1 4.44Å |
| 230 | R | 92.9 | Very high | 88.3 | Confident | 44 Ų | 44 | 46.7 Ų | 46.7 | 17% | 0.166 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 140.1 | 171.7 | -173.4 | 173.6 | -170.6 | -178.9 | 13.3 | 111.1 | L104 I136 L137 Q138 | L104-R230 HydrophobicContact CB-CB 4.47Å; L104-R230 PolarHBondContact N-O 3.49Å; L104-R230 PolarHBondContact O-N 2.9Å; I136-R230 WeakPolarHBondContact O-CD 3.4Å; I136-R230 PolarHBondContact O-NH1 2.96Å; L137-R230 HydrophobicContact CD2-CB 3.54Å; Q138-R230 VanDerWaalsContact CG-NH1 3.34Å |
| 231 | I | 92.2 | Very high | 88.5 | Confident | 17 Ų | 17 | 42.3 Ų | 42.3 | 9% | 0.087 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 132 | 178.9 | -52 | -178 | 0 | 0 | 0 | 110.3 | N102 V103 V166 F198 L221 I229 F234 L237 | N102-I231 CarbonylContact O-C 3.53Å; N102-I231 WeakPolarHBondContact O-CA 3.48Å; V103-I231 HydrophobicContact CG2-CG1 4.34Å; V103-I231 HydrophobicContact CG2-CG2 4.29Å; V166-I231 HydrophobicContact CG1-CD1 3.84Å; F198-I231 HydrophobicContact CD1-CD1 4.46Å; F198-I231 HydrophobicContact CE1-CD1 3.71Å; L221-I231 HydrophobicContact CD1-CB 4.38Å; L221-I231 HydrophobicContact CD2-CD1 4.33Å; I229-I231 HydrophobicContact CG2-CG1 4.44Å; I231-F234 HydrophobicContact CG2-CB 4.26Å; I231-F234 HydrophobicContact CG2-CD2 4.12Å; I231-L237 HydrophobicContact CG2-CD1 3.56Å |
| 232 | K | 88.4 | Confident | 88.3 | Confident | 70 Ų | 70 | 44.8 Ų | 44.8 | 30% | 0.304 | 23% | 0.232 | S | C | . | . | S | Bend | trans | -113.2 | 154.4 | 173.4 | -57.3 | 176.9 | 179.7 | -178.1 | 0 | 108.5 | A98 N102 F234 | A98-K232 PolarHBondContact O-NZ 3.28Å; N102-K232 WeakPolarHBondContact CB-O 3.38Å; N102-K232 PolarHBondContact O-N 2.75Å; K232-F234 PolarHBondContact O-N 3.46Å |
| 233 | G | 86 | Confident | 88.1 | Confident | 39 Ų | 39 | 42.8 Ų | 42.8 | 40% | 0.402 | 22% | 0.221 | S | C | . | . | S | Bend | trans | 59.6 | 31.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | S235 H236 L237 | G233-S235 PolarHBondContact O-N 3.17Å; G233-S235 VanDerWaalsContact O-N 3.17Å; G233-H236 WeakPolarHBondContact O-CB 3.39Å; G233-H236 PolarHBondContact O-N 3.01Å; G233-L237 PolarHBondContact O-N 3.14Å |
| 234 | F | 89 | Confident | 87.7 | Confident | 18 Ų | 18 | 43 Ų | 43 | 8% | 0.079 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -57.1 | -34.3 | -171.4 | -179.6 | -106.1 | 0 | 0 | 0 | 113.8 | L170 W194 E195 F198 L221 I231 K232 H236 L237 V238 | L170-F234 HydrophobicContact CD1-CE2 3.72Å; L170-F234 HydrophobicContact CD1-CZ 4.03Å; L170-F234 HydrophobicContact CD2-CE2 4.12Å; W194-F234 HydrophobicContact CB-CE1 3.91Å; W194-F234 HydrophobicContact CB-CZ 4.46Å; E195-F234 HydrophobicContact CB-CD1 4.4Å; E195-F234 HydrophobicContact CB-CE1 4.29Å; F198-F234 HydrophobicContact CB-CE2 4.25Å; F198-F234 HydrophobicContact CB-CZ 3.75Å; F198-F234 AromaticContact CD1-CE2 3.55Å; F198-F234 HydrophobicContact CD1-CE2 3.55Å; F198-F234 AromaticContact CD1-CZ 3.96Å; F198-F234 HydrophobicContact CD1-CZ 3.96Å; F198-F234 HydrophobicContact CE1-CE2 4.25Å; F198-F234 HydrophobicContact CG-CE2 4.12Å; F198-F234 HydrophobicContact CG-CZ 4.12Å; L221-F234 HydrophobicContact CD1-CB 3.64Å; L221-F234 HydrophobicContact CD1-CD1 4.01Å; L221-F234 HydrophobicContact CD1-CD2 3.83Å; L221-F234 HydrophobicContact CD1-CE2 4.48Å; L221-F234 HydrophobicContact CD1-CG 3.55Å; I231-F234 HydrophobicContact CG2-CB 4.26Å; I231-F234 HydrophobicContact CG2-CD2 4.12Å; K232-F234 PolarHBondContact O-N 3.46Å; F234-H236 VanDerWaalsContact C-N 3.34Å; F234-H236 PolarHBondContact O-N 2.97Å; F234-L237 PolarHBondContact O-N 3.09Å; F234-V238 HydrophobicContact CD1-CG2 4.11Å; F234-V238 HydrophobicContact CD2-CG2 4.39Å; F234-V238 HydrophobicContact CE1-CG2 3.63Å; F234-V238 HydrophobicContact CE2-CG2 3.95Å; F234-V238 HydrophobicContact CG-CG2 4.47Å; F234-V238 HydrophobicContact CZ-CG2 3.54Å; F234-V238 WeakPolarHBondContact O-CG2 3.33Å; F234-V238 PolarHBondContact O-N 3.49Å |
| 235 | S | 84.1 | Confident | 87.2 | Confident | 54 Ų | 54 | 44.9 Ų | 44.9 | 38% | 0.378 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -57.1 | -43.5 | 172.4 | 46.8 | 0 | 0 | 0 | 0 | 112.9 | Y191 G233 Q239 | Y191-S235 VanDerWaalsContact CE1-CB 3.48Å; G233-S235 PolarHBondContact O-N 3.17Å; G233-S235 VanDerWaalsContact O-N 3.17Å; S235-Q239 WeakPolarHBondContact O-CB 3.33Å; S235-Q239 PolarHBondContact O-N 3.43Å |
| 236 | H | 84.7 | Confident | 86.6 | Confident | 104 Ų | 104 | 49 Ų | 49 | 48% | 0.481 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -64.7 | -46.5 | 175.3 | -169 | -75.8 | 0 | 0 | 0 | 111.1 | G233 F234 V238 Q239 E240 | G233-H236 WeakPolarHBondContact O-CB 3.39Å; G233-H236 PolarHBondContact O-N 3.01Å; F234-H236 VanDerWaalsContact C-N 3.34Å; F234-H236 PolarHBondContact O-N 2.97Å; H236-V238 VanDerWaalsContact C-N 3.33Å; H236-V238 PolarHBondContact O-N 2.7Å; H236-Q239 PolarHBondContact O-N 3.46Å; H236-E240 IonicContact CE1-OE2 3.78Å; H236-E240 PolarHBondContact CE1-OE2 3.49Å; H236-E240 VanDerWaalsContact CE1-OE2 3.26Å; H236-E240 IonicContact ND1-OE2 2.75Å; H236-E240 PolarHBondContact ND1-OE2 3.13Å; H236-E240 WeakPolarHBondContact O-CB 3.45Å; H236-E240 PolarHBondContact O-N 2.87Å |
| 237 | L | 87.5 | Confident | 86 | Confident | 15 Ų | 15 | 49.7 Ų | 49.7 | 8% | 0.079 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -58.8 | -42.8 | 178.4 | -67.7 | 175.5 | 0 | 0 | 0 | 112.2 | N102 V103 L170 I231 G233 F234 I241 | N102-L237 HydrophobicContact CB-CD1 4.07Å; N102-L237 HydrophobicContact CB-CD2 4.12Å; N102-L237 HydrophobicContact CB-CG 4.25Å; V103-L237 HydrophobicContact CG2-CD1 3.8Å; L170-L237 HydrophobicContact CD2-CB 4.21Å; I231-L237 HydrophobicContact CG2-CD1 3.56Å; G233-L237 PolarHBondContact O-N 3.14Å; F234-L237 PolarHBondContact O-N 3.09Å; L237-I241 WeakPolarHBondContact O-CB 3.37Å; L237-I241 VanDerWaalsContact O-CG1 3.29Å; L237-I241 WeakPolarHBondContact O-CG1 3.45Å; L237-I241 PolarHBondContact O-N 3.29Å |
| 238 | V | 87.2 | Confident | 85.3 | Confident | 5 Ų | 5 | 56.6 Ų | 56.6 | 3% | 0.03 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -65.9 | -44 | 176.2 | 173.5 | 0 | 0 | 0 | 0 | 111.1 | L170 I174 W194 F234 H236 T242 | L170-V238 HydrophobicContact CD1-CG2 4.48Å; I174-V238 HydrophobicContact CD1-CG1 4.4Å; I174-V238 HydrophobicContact CD1-CG2 4.43Å; W194-V238 HydrophobicContact CB-CG2 4.4Å; W194-V238 HydrophobicContact CD2-CG1 4.21Å; W194-V238 HydrophobicContact CG-CG1 4.03Å; F234-V238 HydrophobicContact CD1-CG2 4.11Å; F234-V238 HydrophobicContact CD2-CG2 4.39Å; F234-V238 HydrophobicContact CE1-CG2 3.63Å; F234-V238 HydrophobicContact CE2-CG2 3.95Å; F234-V238 HydrophobicContact CG-CG2 4.47Å; F234-V238 HydrophobicContact CZ-CG2 3.54Å; F234-V238 WeakPolarHBondContact O-CG2 3.33Å; F234-V238 PolarHBondContact O-N 3.49Å; H236-V238 VanDerWaalsContact C-N 3.33Å; H236-V238 PolarHBondContact O-N 2.7Å; V238-T242 WeakPolarHBondContact O-CB 3.39Å; V238-T242 PolarHBondContact O-N 3.33Å; V238-T242 PolarHBondContact O-OG1 2.98Å |
| 239 | Q | 83.9 | Confident | 84.7 | Confident | 100 Ų | 100 | 59.2 Ų | 59.2 | 47% | 0.467 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -64.1 | -41.8 | 178 | -177.5 | 175.3 | -0.9 | 0 | 0 | 112.2 | S235 H236 T242 N243 | S235-Q239 WeakPolarHBondContact O-CB 3.33Å; S235-Q239 PolarHBondContact O-N 3.43Å; H236-Q239 PolarHBondContact O-N 3.46Å; Q239-T242 PolarHBondContact O-N 3.36Å; Q239-N243 WeakPolarHBondContact O-CB 3.4Å; Q239-N243 PolarHBondContact O-N 3.13Å; Q239-N243 PolarHBondContact O-ND2 2.8Å |
| 240 | E | 84.6 | Confident | 83.8 | Confident | 88 Ų | 88 | 63.5 Ų | 63.5 | 41% | 0.411 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -67.8 | -46 | 179.6 | -174.3 | 174.3 | -177.7 | 0 | 0 | 111.7 | H236 T242 N243 N244 | H236-E240 IonicContact CE1-OE2 3.78Å; H236-E240 PolarHBondContact CE1-OE2 3.49Å; H236-E240 VanDerWaalsContact CE1-OE2 3.26Å; H236-E240 IonicContact ND1-OE2 2.75Å; H236-E240 PolarHBondContact ND1-OE2 3.13Å; H236-E240 WeakPolarHBondContact O-CB 3.45Å; H236-E240 PolarHBondContact O-N 2.87Å; E240-T242 VanDerWaalsContact C-N 3.35Å; E240-N243 PolarHBondContact O-N 3.07Å; E240-N244 WeakPolarHBondContact O-CB 3.2Å; E240-N244 PolarHBondContact O-N 3.36Å; E240-N244 PolarHBondContact O-ND2 3.15Å |
| 241 | I | 84 | Confident | 83.1 | Confident | 29 Ų | 29 | 65 Ų | 65 | 15% | 0.149 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -64 | -41.5 | 173.3 | -67.7 | 167.9 | 0 | 0 | 0 | 110.6 | L170 I174 L237 N243 N244 L245 | L170-I241 HydrophobicContact CB-CD1 4.38Å; L170-I241 HydrophobicContact CD2-CD1 3.62Å; L170-I241 HydrophobicContact CG-CD1 3.75Å; I174-I241 HydrophobicContact CD1-CB 3.98Å; I174-I241 HydrophobicContact CD1-CD1 4.27Å; I174-I241 HydrophobicContact CD1-CG2 3.72Å; L237-I241 WeakPolarHBondContact O-CB 3.37Å; L237-I241 VanDerWaalsContact O-CG1 3.29Å; L237-I241 WeakPolarHBondContact O-CG1 3.45Å; L237-I241 PolarHBondContact O-N 3.29Å; I241-N243 PolarHBondContact O-N 3.28Å; I241-N244 PolarHBondContact O-N 2.89Å; I241-L245 HydrophobicContact CG2-CD1 3.87Å; I241-L245 HydrophobicContact CG2-CG 4.4Å; I241-L245 WeakPolarHBondContact O-CB 3.3Å; I241-L245 VanDerWaalsContact O-CG 3.27Å; I241-L245 WeakPolarHBondContact O-CG 3.39Å; I241-L245 PolarHBondContact O-N 3.41Å |
| 242 | T | 83.6 | Confident | 82.4 | Confident | 66 Ų | 66 | 70 Ų | 70 | 41% | 0.405 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -64.9 | -39.5 | 178.4 | -58 | 0 | 0 | 0 | 0 | 111.9 | V238 Q239 E240 L245 | V238-T242 WeakPolarHBondContact O-CB 3.39Å; V238-T242 PolarHBondContact O-N 3.33Å; V238-T242 PolarHBondContact O-OG1 2.98Å; Q239-T242 PolarHBondContact O-N 3.36Å; E240-T242 VanDerWaalsContact C-N 3.35Å; T242-L245 PolarHBondContact O-N 3.27Å |
| 243 | N | 82.2 | Confident | 81.7 | Confident | 56 Ų | 56 | 69.2 Ų | 69.2 | 30% | 0.299 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -65.7 | -42.4 | 173.6 | -84.3 | -33.5 | 0 | 0 | 0 | 112.2 | Q239 E240 I241 L245 K246 N249 | Q239-N243 WeakPolarHBondContact O-CB 3.4Å; Q239-N243 PolarHBondContact O-N 3.13Å; Q239-N243 PolarHBondContact O-ND2 2.8Å; E240-N243 PolarHBondContact O-N 3.07Å; I241-N243 PolarHBondContact O-N 3.28Å; N243-L245 PolarHBondContact O-N 3.39Å; N243-K246 WeakPolarHBondContact O-CB 3.45Å; N243-K246 WeakPolarHBondContact O-CG 3.47Å; N243-K246 PolarHBondContact O-N 2.87Å; N243-K246 VanDerWaalsContact O-N 3.15Å; N243-K246 VanDerWaalsContact OD1-CE 3.27Å; N243-K246 WeakPolarHBondContact OD1-CE 3.45Å; N243-K246 PolarHBondContact OD1-NZ 3Å; N243-N249 PolarHBondContact O-ND2 3.32Å |
| 244 | N | 79.8 | Confident | 81.3 | Confident | 96 Ų | 96 | 69.3 Ų | 69.3 | 51% | 0.513 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -66.7 | -22.1 | 175.9 | -80.4 | -70 | 0 | 0 | 0 | 113.3 | E240 I241 | E240-N244 WeakPolarHBondContact O-CB 3.2Å; E240-N244 PolarHBondContact O-N 3.36Å; E240-N244 PolarHBondContact O-ND2 3.15Å; I241-N244 PolarHBondContact O-N 2.89Å |
| 245 | L | 80.8 | Confident | 80.9 | Confident | 40 Ų | 40 | 76 Ų | 76 | 21% | 0.209 | 40% | 0.404 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.8 | 1.8 | 173.9 | -70.1 | 171.5 | 0 | 0 | 0 | 114.1 | I174 I241 T242 N243 | I174-L245 HydrophobicContact CG2-CD1 4.01Å; I241-L245 HydrophobicContact CG2-CD1 3.87Å; I241-L245 HydrophobicContact CG2-CG 4.4Å; I241-L245 WeakPolarHBondContact O-CB 3.3Å; I241-L245 VanDerWaalsContact O-CG 3.27Å; I241-L245 WeakPolarHBondContact O-CG 3.39Å; I241-L245 PolarHBondContact O-N 3.41Å; T242-L245 PolarHBondContact O-N 3.27Å; N243-L245 PolarHBondContact O-N 3.39Å |
| 246 | K | 78.7 | Confident | 80.7 | Confident | 94 Ų | 94 | 78.3 Ų | 78.3 | 41% | 0.409 | 41% | 0.412 | S | S | . | . | S | Bend | trans | -68.5 | 143.7 | 171.9 | -72.2 | 175 | 169.4 | 169.5 | 0 | 111.1 | N243 E248 N249 L250 | N243-K246 WeakPolarHBondContact O-CB 3.45Å; N243-K246 WeakPolarHBondContact O-CG 3.47Å; N243-K246 PolarHBondContact O-N 2.87Å; N243-K246 VanDerWaalsContact O-N 3.15Å; N243-K246 VanDerWaalsContact OD1-CE 3.27Å; N243-K246 WeakPolarHBondContact OD1-CE 3.45Å; N243-K246 PolarHBondContact OD1-NZ 3Å; K246-E248 VanDerWaalsContact C-N 3.34Å; K246-E248 PolarHBondContact O-N 3.38Å; K246-N249 PolarHBondContact O-N 3.41Å; K246-N249 VanDerWaalsContact O-N 3.11Å; K246-L250 PolarHBondContact O-N 2.97Å |
| 247 | P | 78.1 | Confident | 80.3 | Confident | 98 Ų | 98 | 75.9 Ų | 75.9 | 64% | 0.636 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -53 | -45.7 | -177.9 | -28.2 | 35.7 | 0 | 0 | 0 | 114 | N249 L250 S251 | P247-N249 VanDerWaalsContact C-N 3.33Å; P247-N249 PolarHBondContact O-N 3.07Å; P247-L250 PolarHBondContact O-N 2.61Å; P247-S251 PolarHBondContact O-N 3.31Å; P247-S251 PolarHBondContact O-OG 3.39Å |
| 248 | E | 78.5 | Confident | 80 | Confident | 150 Ų | 150 | 80.6 Ų | 80.6 | 70% | 0.701 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -55.3 | -44.4 | 178.1 | -66.2 | 152.6 | -138.1 | 0 | 0 | 112.9 | K246 S251 K252 | K246-E248 VanDerWaalsContact C-N 3.34Å; K246-E248 PolarHBondContact O-N 3.38Å; E248-S251 PolarHBondContact O-N 3.18Å; E248-K252 WeakPolarHBondContact O-CB 3.24Å; E248-K252 PolarHBondContact O-N 3.07Å |
| 249 | N | 78.4 | Confident | 79.7 | Confident | 57 Ų | 57 | 84.2 Ų | 84.2 | 31% | 0.305 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -73.4 | -35.1 | -179.8 | -74.5 | -36 | 0 | 0 | 0 | 111.8 | N243 K246 P247 K252 A253 | N243-N249 PolarHBondContact O-ND2 3.32Å; K246-N249 PolarHBondContact O-N 3.41Å; K246-N249 VanDerWaalsContact O-N 3.11Å; P247-N249 VanDerWaalsContact C-N 3.33Å; P247-N249 PolarHBondContact O-N 3.07Å; N249-K252 PolarHBondContact O-N 3.24Å; N249-A253 WeakPolarHBondContact O-CB 3.45Å; N249-A253 PolarHBondContact O-N 2.98Å |
| 250 | L | 75.7 | Confident | 79.6 | Confident | 94 Ų | 94 | 84.7 Ų | 84.7 | 49% | 0.492 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -64.6 | -41.6 | 170.8 | -65.9 | 171.8 | 0 | 0 | 0 | 111.4 | K246 P247 K252 A253 G254 | K246-L250 PolarHBondContact O-N 2.97Å; P247-L250 PolarHBondContact O-N 2.61Å; L250-K252 VanDerWaalsContact C-N 3.35Å; L250-A253 PolarHBondContact O-N 3.11Å; L250-G254 PolarHBondContact O-N 3.39Å |
| 251 | S | 76.9 | Confident | 79.5 | Confident | 74 Ų | 74 | 83.5 Ų | 83.5 | 52% | 0.517 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -70 | -27.3 | 174 | -63.2 | 0 | 0 | 0 | 0 | 113.4 | P247 E248 R255 | P247-S251 PolarHBondContact O-N 3.31Å; P247-S251 PolarHBondContact O-OG 3.39Å; E248-S251 PolarHBondContact O-N 3.18Å; S251-R255 PolarHBondContact O-N 3.27Å; S251-R255 PolarHBondContact O-NE 2.89Å |
| 252 | K | 77.4 | Confident | 79.4 | Confident | 122 Ų | 122 | 85.2 Ų | 85.2 | 53% | 0.53 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -72.4 | -45.3 | 170.6 | -173.4 | 177.3 | 179.8 | 178.7 | 0 | 111.1 | E248 N249 L250 G254 R255 L256 | E248-K252 WeakPolarHBondContact O-CB 3.24Å; E248-K252 PolarHBondContact O-N 3.07Å; N249-K252 PolarHBondContact O-N 3.24Å; L250-K252 VanDerWaalsContact C-N 3.35Å; K252-G254 VanDerWaalsContact C-N 3.34Å; K252-G254 PolarHBondContact O-N 3.18Å; K252-R255 PolarHBondContact O-N 3.48Å; K252-L256 HydrophobicContact CG-CD1 4.36Å; K252-L256 WeakPolarHBondContact O-CG 3.43Å; K252-L256 PolarHBondContact O-N 3.33Å |
| 253 | A | 73.9 | Confident | 79.4 | Confident | 55 Ų | 55 | 85.1 Ų | 85.1 | 46% | 0.455 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -63.2 | -39.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | N249 L250 L256 A257 | N249-A253 WeakPolarHBondContact O-CB 3.45Å; N249-A253 PolarHBondContact O-N 2.98Å; L250-A253 PolarHBondContact O-N 3.11Å; A253-L256 PolarHBondContact O-N 3.03Å; A253-A257 WeakPolarHBondContact O-CB 3.46Å; A253-A257 PolarHBondContact O-N 3.49Å |
| 254 | G | 78.1 | Confident | 79.4 | Confident | 41 Ų | 41 | 84.3 Ų | 84.3 | 42% | 0.423 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -60.9 | -44.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | L250 K252 A257 Q258 | L250-G254 PolarHBondContact O-N 3.39Å; K252-G254 VanDerWaalsContact C-N 3.34Å; K252-G254 PolarHBondContact O-N 3.18Å; G254-A257 PolarHBondContact O-N 2.68Å; G254-Q258 PolarHBondContact O-N 3.48Å |
| 255 | R | 81.7 | Confident | 79.5 | Confident | 157 Ų | 157 | 81.3 Ų | 81.3 | 59% | 0.592 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -62.1 | -49.2 | 173.5 | -79.1 | -178.2 | -74.1 | 168.8 | -5.8 | 112.2 | S251 K252 A257 Q258 D259 | S251-R255 PolarHBondContact O-N 3.27Å; S251-R255 PolarHBondContact O-NE 2.89Å; K252-R255 PolarHBondContact O-N 3.48Å; R255-A257 VanDerWaalsContact C-N 3.26Å; R255-A257 PolarHBondContact O-N 3.22Å; R255-Q258 CarbonylContact O-C 3.46Å; R255-Q258 WeakPolarHBondContact O-CA 3.02Å; R255-Q258 WeakPolarHBondContact O-CB 3.25Å; R255-Q258 PolarHBondContact O-N 3.14Å; R255-D259 PolarHBondContact O-N 3.24Å |
| 256 | L | 79.4 | Confident | 79.7 | Confident | 104 Ų | 104 | 87.5 Ų | 87.5 | 55% | 0.545 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -60.3 | -34.8 | 177.9 | -69.3 | 170.1 | 0 | 0 | 0 | 112.9 | K252 A253 Q260 | K252-L256 HydrophobicContact CG-CD1 4.36Å; K252-L256 WeakPolarHBondContact O-CG 3.43Å; K252-L256 PolarHBondContact O-N 3.33Å; A253-L256 PolarHBondContact O-N 3.03Å; L256-Q260 WeakPolarHBondContact O-CB 3.16Å; L256-Q260 PolarHBondContact O-N 2.97Å |
| 257 | A | 75.1 | Confident | 79.8 | Confident | 53 Ų | 53 | 87 Ų | 87 | 44% | 0.438 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -68.9 | -40.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | A253 G254 R255 Q260 L261 | A253-A257 WeakPolarHBondContact O-CB 3.46Å; A253-A257 PolarHBondContact O-N 3.49Å; G254-A257 PolarHBondContact O-N 2.68Å; R255-A257 VanDerWaalsContact C-N 3.26Å; R255-A257 PolarHBondContact O-N 3.22Å; A257-Q260 PolarHBondContact O-N 3Å; A257-L261 VanDerWaalsContact O-CG 3.28Å; A257-L261 WeakPolarHBondContact O-CG 3.32Å; A257-L261 PolarHBondContact O-N 2.75Å |
| 258 | Q | 81.7 | Confident | 80 | Confident | 113 Ų | 113 | 84.6 Ų | 84.6 | 53% | 0.528 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -63.4 | -48.1 | 173 | -178.2 | 179.3 | -15.8 | 0 | 0 | 111.3 | G254 R255 Q260 L261 D262 | G254-Q258 PolarHBondContact O-N 3.48Å; R255-Q258 CarbonylContact O-C 3.46Å; R255-Q258 WeakPolarHBondContact O-CA 3.02Å; R255-Q258 WeakPolarHBondContact O-CB 3.25Å; R255-Q258 PolarHBondContact O-N 3.14Å; Q258-Q260 VanDerWaalsContact C-N 3.25Å; Q258-Q260 PolarHBondContact O-N 3.01Å; Q258-L261 PolarHBondContact O-N 2.93Å; Q258-L261 VanDerWaalsContact O-N 3.09Å; Q258-D262 PolarHBondContact O-N 3.2Å |
| 259 | D | 81.1 | Confident | 80 | Confident | 82 Ų | 82 | 82.2 Ų | 82.2 | 44% | 0.439 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -56.5 | -40.3 | 177.3 | -63.5 | -34.1 | 0 | 0 | 0 | 111.1 | R255 N263 | R255-D259 PolarHBondContact O-N 3.24Å; D259-N263 WeakPolarHBondContact O-CB 3.23Å; D259-N263 PolarHBondContact O-N 2.84Å; D259-N263 PolarHBondContact O-ND2 2.9Å |
| 260 | Q | 81.4 | Confident | 79.9 | Confident | 110 Ų | 110 | 86.1 Ų | 86.1 | 51% | 0.514 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -67.8 | -41.8 | 176.1 | -175.2 | 60.4 | 54.7 | 0 | 0 | 112.4 | L256 A257 Q258 N263 D264 | L256-Q260 WeakPolarHBondContact O-CB 3.16Å; L256-Q260 PolarHBondContact O-N 2.97Å; A257-Q260 PolarHBondContact O-N 3Å; Q258-Q260 VanDerWaalsContact C-N 3.25Å; Q258-Q260 PolarHBondContact O-N 3.01Å; Q260-N263 PolarHBondContact O-N 3.41Å; Q260-D264 PolarHBondContact NE2-OD1 3.37Å; Q260-D264 WeakPolarHBondContact O-CB 3.2Å; Q260-D264 PolarHBondContact O-N 2.85Å |
| 261 | L | 82.2 | Confident | 79.8 | Confident | 62 Ų | 62 | 85.4 Ų | 85.4 | 33% | 0.325 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -65.7 | -42.9 | 177.3 | -68.9 | 167.1 | 0 | 0 | 0 | 111.5 | A257 Q258 N263 D264 I265 W308 L314 | A257-L261 VanDerWaalsContact O-CG 3.28Å; A257-L261 WeakPolarHBondContact O-CG 3.32Å; A257-L261 PolarHBondContact O-N 2.75Å; Q258-L261 PolarHBondContact O-N 2.93Å; Q258-L261 VanDerWaalsContact O-N 3.09Å; L261-N263 VanDerWaalsContact C-N 3.32Å; L261-N263 PolarHBondContact O-N 3.45Å; L261-D264 PolarHBondContact O-N 3.03Å; L261-I265 WeakPolarHBondContact O-CB 3.42Å; L261-I265 WeakPolarHBondContact O-CD1 3.43Å; L261-I265 VanDerWaalsContact O-CG1 3.26Å; L261-I265 WeakPolarHBondContact O-CG1 3.46Å; L261-I265 PolarHBondContact O-N 2.91Å; L261-W308 HydrophobicContact CD2-CH2 3.71Å; L261-W308 HydrophobicContact CD2-CZ2 3.95Å; L261-L314 HydrophobicContact CD2-CD1 3.84Å |
| 262 | D | 82.1 | Confident | 79.7 | Confident | 65 Ų | 65 | 83.2 Ų | 83.2 | 35% | 0.348 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -63.3 | -37.4 | 175.1 | -81.9 | -1.1 | 0 | 0 | 0 | 111.5 | Q258 R266 | Q258-D262 PolarHBondContact O-N 3.2Å; D262-R266 VanDerWaalsContact O-CB 3.26Å; D262-R266 WeakPolarHBondContact O-CB 3.49Å; D262-R266 WeakPolarHBondContact O-CD 3.36Å; D262-R266 WeakPolarHBondContact O-CG 3.34Å; D262-R266 PolarHBondContact O-N 3.28Å |
| 263 | N | 83.4 | Confident | 79.3 | Confident | 65 Ų | 65 | 80.1 Ų | 80.1 | 35% | 0.348 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -71.3 | -41.2 | 175.4 | -80.9 | -60.6 | 0 | 0 | 0 | 112.9 | D259 Q260 L261 I265 R266 Q267 | D259-N263 WeakPolarHBondContact O-CB 3.23Å; D259-N263 PolarHBondContact O-N 2.84Å; D259-N263 PolarHBondContact O-ND2 2.9Å; Q260-N263 PolarHBondContact O-N 3.41Å; L261-N263 VanDerWaalsContact C-N 3.32Å; L261-N263 PolarHBondContact O-N 3.45Å; N263-I265 VanDerWaalsContact C-N 3.33Å; N263-I265 PolarHBondContact O-N 3.44Å; N263-R266 PolarHBondContact O-N 2.84Å; N263-Q267 VanDerWaalsContact O-CB 3.32Å; N263-Q267 WeakPolarHBondContact O-CB 3.44Å; N263-Q267 PolarHBondContact O-N 3.49Å |
| 264 | D | 83.4 | Confident | 79.1 | Confident | 38 Ų | 38 | 81.8 Ų | 81.8 | 20% | 0.203 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -55.9 | -47.6 | 171 | -90.6 | 33.3 | 0 | 0 | 0 | 110.9 | Q260 L261 Q267 L268 W308 R312 | Q260-D264 PolarHBondContact NE2-OD1 3.37Å; Q260-D264 WeakPolarHBondContact O-CB 3.2Å; Q260-D264 PolarHBondContact O-N 2.85Å; L261-D264 PolarHBondContact O-N 3.03Å; D264-Q267 PolarHBondContact O-N 3.28Å; D264-L268 PolarHBondContact O-N 3.43Å; D264-W308 HydrophobicContact CB-CZ2 3.67Å; D264-W308 PolarHBondContact OD2-NE1 2.88Å; D264-R312 IonicContact OD2-CZ 3Å; D264-R312 IonicContact OD2-NE 3.11Å; D264-R312 PolarHBondContact OD2-NE 2.7Å; D264-R312 IonicContact OD2-NH2 3.16Å; D264-R312 PolarHBondContact OD2-NH2 2.6Å |
| 265 | I | 82.7 | Confident | 78.5 | Confident | 33 Ų | 33 | 82.1 Ų | 82.1 | 17% | 0.169 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -66.9 | -45.8 | 179.4 | -69.1 | 164.2 | 0 | 0 | 0 | 111 | L261 N263 Q267 L268 Y269 W308 W316 | L261-I265 WeakPolarHBondContact O-CB 3.42Å; L261-I265 WeakPolarHBondContact O-CD1 3.43Å; L261-I265 VanDerWaalsContact O-CG1 3.26Å; L261-I265 WeakPolarHBondContact O-CG1 3.46Å; L261-I265 PolarHBondContact O-N 2.91Å; N263-I265 VanDerWaalsContact C-N 3.33Å; N263-I265 PolarHBondContact O-N 3.44Å; I265-Q267 VanDerWaalsContact C-N 3.25Å; I265-Q267 PolarHBondContact O-N 2.96Å; I265-L268 WeakPolarHBondContact O-CB 3.39Å; I265-L268 PolarHBondContact O-N 3.09Å; I265-Y269 HydrophobicContact CG2-CD2 3.79Å; I265-Y269 HydrophobicContact CG2-CE2 3.65Å; I265-Y269 VanDerWaalsContact O-CD2 3.29Å; I265-Y269 WeakPolarHBondContact O-CD2 3.36Å; I265-Y269 PolarHBondContact O-N 3.09Å; I265-W308 HydrophobicContact CD1-CH2 3.77Å; I265-W308 HydrophobicContact CD1-CZ2 4.49Å; I265-W308 HydrophobicContact CD1-CZ3 4.07Å; I265-W308 HydrophobicContact CG1-CH2 3.71Å; I265-W308 HydrophobicContact CG1-CZ2 3.99Å; I265-W308 HydrophobicContact CG1-CZ3 4.06Å; I265-W316 HydrophobicContact CD1-CH2 3.88Å; I265-W316 HydrophobicContact CG1-CH2 4.3Å |
| 266 | R | 83.3 | Confident | 77.6 | Confident | 170 Ų | 170 | 77 Ų | 77 | 64% | 0.642 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -59.2 | -36.9 | 174.8 | -76.2 | 166.1 | -172.9 | -90.1 | 1.5 | 111.9 | D262 N263 Y269 K270 | D262-R266 VanDerWaalsContact O-CB 3.26Å; D262-R266 WeakPolarHBondContact O-CB 3.49Å; D262-R266 WeakPolarHBondContact O-CD 3.36Å; D262-R266 WeakPolarHBondContact O-CG 3.34Å; D262-R266 PolarHBondContact O-N 3.28Å; N263-R266 PolarHBondContact O-N 2.84Å; R266-Y269 PolarHBondContact O-N 3.49Å; R266-K270 VanDerWaalsContact O-CB 3.32Å; R266-K270 WeakPolarHBondContact O-CB 3.48Å; R266-K270 PolarHBondContact O-N 2.84Å |
| 267 | Q | 81.8 | Confident | 76.5 | Confident | 85 Ų | 85 | 73.2 Ų | 73.2 | 40% | 0.397 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -68.2 | -41.4 | 176.3 | -173.7 | 57.5 | 37.7 | 0 | 0 | 111.3 | N263 D264 I265 Y269 K270 D271 | N263-Q267 VanDerWaalsContact O-CB 3.32Å; N263-Q267 WeakPolarHBondContact O-CB 3.44Å; N263-Q267 PolarHBondContact O-N 3.49Å; D264-Q267 PolarHBondContact O-N 3.28Å; I265-Q267 VanDerWaalsContact C-N 3.25Å; I265-Q267 PolarHBondContact O-N 2.96Å; Q267-Y269 PolarHBondContact O-N 2.82Å; Q267-K270 PolarHBondContact O-N 2.69Å; Q267-K270 VanDerWaalsContact O-N 3.12Å; Q267-D271 PolarHBondContact NE2-OD1 2.81Å; Q267-D271 PolarHBondContact NE2-OD2 3.06Å; Q267-D271 WeakPolarHBondContact O-CB 3.26Å; Q267-D271 PolarHBondContact O-N 3.13Å |
| 268 | L | 81 | Confident | 75.6 | Confident | 46 Ų | 46 | 73.8 Ų | 73.8 | 24% | 0.241 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -57.5 | -45.8 | 170.6 | -70.9 | 175.6 | 0 | 0 | 0 | 112.2 | D264 I265 K270 F272 L305 W308 | D264-L268 PolarHBondContact O-N 3.43Å; I265-L268 WeakPolarHBondContact O-CB 3.39Å; I265-L268 PolarHBondContact O-N 3.09Å; L268-K270 VanDerWaalsContact C-N 3.3Å; L268-K270 PolarHBondContact O-N 2.99Å; L268-F272 WeakPolarHBondContact O-CB 3.5Å; L268-F272 PolarHBondContact O-N 2.95Å; L268-L305 HydrophobicContact CD1-CD2 3.9Å; L268-W308 HydrophobicContact CD1-CB 3.96Å; L268-W308 HydrophobicContact CD1-CD2 4.27Å; L268-W308 HydrophobicContact CD1-CG 3.71Å |
| 269 | Y | 80 | Confident | 74.3 | Confident | 101 Ų | 101 | 74.9 Ų | 74.9 | 40% | 0.396 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -63.1 | -34.1 | 174.9 | -82.1 | -74 | 0 | 0 | 0 | 113.1 | I265 R266 Q267 A273 L301 | I265-Y269 HydrophobicContact CG2-CD2 3.79Å; I265-Y269 HydrophobicContact CG2-CE2 3.65Å; I265-Y269 VanDerWaalsContact O-CD2 3.29Å; I265-Y269 WeakPolarHBondContact O-CD2 3.36Å; I265-Y269 PolarHBondContact O-N 3.09Å; R266-Y269 PolarHBondContact O-N 3.49Å; Q267-Y269 PolarHBondContact O-N 2.82Å; Y269-A273 VanDerWaalsContact O-CB 3.25Å; Y269-A273 WeakPolarHBondContact O-CB 3.24Å; Y269-A273 PolarHBondContact O-N 3.23Å; Y269-L301 HydrophobicContact CD1-CD2 4.09Å; Y269-L301 HydrophobicContact CE1-CD2 3.78Å |
| 270 | K | 76.8 | Confident | 73.1 | Confident | 138 Ų | 138 | 75.1 Ų | 75.1 | 60% | 0.6 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -74.5 | -43.2 | 178.5 | -174.5 | 179 | 178.5 | -177.2 | 0 | 112.3 | R266 Q267 L268 A273 S274 | R266-K270 VanDerWaalsContact O-CB 3.32Å; R266-K270 WeakPolarHBondContact O-CB 3.48Å; R266-K270 PolarHBondContact O-N 2.84Å; Q267-K270 PolarHBondContact O-N 2.69Å; Q267-K270 VanDerWaalsContact O-N 3.12Å; L268-K270 VanDerWaalsContact C-N 3.3Å; L268-K270 PolarHBondContact O-N 2.99Å; K270-A273 PolarHBondContact O-N 3Å; K270-S274 WeakPolarHBondContact O-CB 3.43Å; K270-S274 PolarHBondContact O-N 3.08Å |
| 271 | D | 73.5 | Confident | 72 | Confident | 79 Ų | 79 | 71.1 Ų | 71.1 | 42% | 0.422 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -63.8 | -45 | 174.3 | -71 | -30.4 | 0 | 0 | 0 | 109.9 | Q267 A273 S274 S275 | Q267-D271 PolarHBondContact NE2-OD1 2.81Å; Q267-D271 PolarHBondContact NE2-OD2 3.06Å; Q267-D271 WeakPolarHBondContact O-CB 3.26Å; Q267-D271 PolarHBondContact O-N 3.13Å; D271-A273 PolarHBondContact O-N 3.32Å; D271-S274 PolarHBondContact O-N 2.77Å; D271-S274 PolarHBondContact O-OG 3.15Å; D271-S275 WeakPolarHBondContact O-CB 3.4Å; D271-S275 PolarHBondContact O-N 3.04Å |
| 272 | F | 73.3 | Confident | 71.1 | Confident | 29 Ų | 29 | 69.6 Ų | 69.6 | 13% | 0.127 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -53.1 | -54.3 | 169.5 | 175.4 | -101.5 | 0 | 0 | 0 | 111.9 | L268 S274 S275 L276 Y297 L301 | L268-F272 WeakPolarHBondContact O-CB 3.5Å; L268-F272 PolarHBondContact O-N 2.95Å; F272-S274 VanDerWaalsContact C-N 3.32Å; F272-S274 PolarHBondContact O-N 3.06Å; F272-S275 CarbonylContact O-C 3.46Å; F272-S275 WeakPolarHBondContact O-CA 3.45Å; F272-S275 WeakPolarHBondContact O-CB 3.35Å; F272-S275 PolarHBondContact O-N 3.23Å; F272-S275 VanDerWaalsContact O-N 3.07Å; F272-S275 PolarHBondContact O-OG 3.12Å; F272-L276 HydrophobicContact CE1-CD1 4.06Å; F272-L276 HydrophobicContact CE1-CD2 3.97Å; F272-L276 HydrophobicContact CE2-CD1 4.2Å; F272-L276 HydrophobicContact CZ-CD1 3.68Å; F272-L276 HydrophobicContact CZ-CD2 4.4Å; F272-L276 WeakPolarHBondContact O-CB 3.38Å; F272-L276 PolarHBondContact O-N 3.21Å; F272-Y297 AromaticContact CE2-CD1 3.99Å; F272-Y297 HydrophobicContact CE2-CD1 3.99Å; F272-Y297 HydrophobicContact CE2-CG 4.39Å; F272-Y297 VanDerWaalsContact CE2-O 3.31Å; F272-Y297 WeakPolarHBondContact CE2-O 3.3Å; F272-L301 HydrophobicContact CB-CD1 4.06Å; F272-L301 HydrophobicContact CD1-CD2 3.86Å; F272-L301 HydrophobicContact CD2-CB 3.85Å; F272-L301 HydrophobicContact CD2-CD1 4.06Å; F272-L301 HydrophobicContact CD2-CD2 4.25Å; F272-L301 HydrophobicContact CD2-CG 4.27Å; F272-L301 HydrophobicContact CE1-CD2 3.85Å; F272-L301 HydrophobicContact CE2-CB 3.7Å; F272-L301 HydrophobicContact CE2-CD2 4.26Å; F272-L301 HydrophobicContact CE2-CG 4.44Å; F272-L301 HydrophobicContact CG-CB 4.44Å; F272-L301 HydrophobicContact CG-CD1 3.97Å; F272-L301 HydrophobicContact CG-CD2 4.05Å; F272-L301 HydrophobicContact CG-CG 4.38Å; F272-L301 HydrophobicContact CZ-CB 4.17Å; F272-L301 HydrophobicContact CZ-CD2 4.05Å |
| 273 | A | 69.9 | Low | 70.1 | Confident | 57 Ų | 57 | 74.7 Ų | 74.7 | 47% | 0.471 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -60.8 | -37.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y269 K270 D271 S275 L276 | Y269-A273 VanDerWaalsContact O-CB 3.25Å; Y269-A273 WeakPolarHBondContact O-CB 3.24Å; Y269-A273 PolarHBondContact O-N 3.23Å; K270-A273 PolarHBondContact O-N 3Å; D271-A273 PolarHBondContact O-N 3.32Å; A273-S275 VanDerWaalsContact C-N 3.34Å; A273-L276 WeakPolarHBondContact O-CB 3.1Å; A273-L276 PolarHBondContact O-N 2.85Å |
| 274 | S | 68.7 | Low | 69 | Low | 89 Ų | 89 | 76.3 Ų | 76.3 | 62% | 0.622 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -67.9 | -33.9 | 174.6 | 80.2 | 0 | 0 | 0 | 0 | 112.6 | K270 D271 F272 L276 | K270-S274 WeakPolarHBondContact O-CB 3.43Å; K270-S274 PolarHBondContact O-N 3.08Å; D271-S274 PolarHBondContact O-N 2.77Å; D271-S274 PolarHBondContact O-OG 3.15Å; F272-S274 VanDerWaalsContact C-N 3.32Å; F272-S274 PolarHBondContact O-N 3.06Å; S274-L276 VanDerWaalsContact C-N 3.3Å |
| 275 | S | 66.2 | Low | 68.2 | Low | 48 Ų | 48 | 76.6 Ų | 76.6 | 34% | 0.336 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -74.3 | -21.3 | 173.7 | 83.6 | 0 | 0 | 0 | 0 | 112.8 | D271 F272 A273 M277 Y297 | D271-S275 WeakPolarHBondContact O-CB 3.4Å; D271-S275 PolarHBondContact O-N 3.04Å; F272-S275 CarbonylContact O-C 3.46Å; F272-S275 WeakPolarHBondContact O-CA 3.45Å; F272-S275 WeakPolarHBondContact O-CB 3.35Å; F272-S275 PolarHBondContact O-N 3.23Å; F272-S275 VanDerWaalsContact O-N 3.07Å; F272-S275 PolarHBondContact O-OG 3.12Å; A273-S275 VanDerWaalsContact C-N 3.34Å; S275-M277 PolarHBondContact O-N 3.22Å; S275-Y297 VanDerWaalsContact O-CE1 3.28Å; S275-Y297 WeakPolarHBondContact O-CE1 3.41Å; S275-Y297 PolarHBondContact O-OH 3.37Å |
| 276 | L | 62.7 | Low | 67.8 | Low | 49 Ų | 49 | 80.4 Ų | 80.4 | 26% | 0.257 | 42% | 0.419 | S | S | . | . | S | Bend | trans | -74.5 | 32 | -176.4 | -153.9 | 69.3 | 0 | 0 | 0 | 113.8 | F272 A273 S274 L294 Y297 | F272-L276 HydrophobicContact CE1-CD1 4.06Å; F272-L276 HydrophobicContact CE1-CD2 3.97Å; F272-L276 HydrophobicContact CE2-CD1 4.2Å; F272-L276 HydrophobicContact CZ-CD1 3.68Å; F272-L276 HydrophobicContact CZ-CD2 4.4Å; F272-L276 WeakPolarHBondContact O-CB 3.38Å; F272-L276 PolarHBondContact O-N 3.21Å; A273-L276 WeakPolarHBondContact O-CB 3.1Å; A273-L276 PolarHBondContact O-N 2.85Å; S274-L276 VanDerWaalsContact C-N 3.3Å; L276-L294 HydrophobicContact CD1-CD2 3.88Å; L276-L294 HydrophobicContact CD2-CD2 3.99Å; L276-L294 HydrophobicContact CG-CD2 3.94Å; L276-Y297 HydrophobicContact CD1-CD1 3.36Å; L276-Y297 HydrophobicContact CD1-CE1 4.17Å; L276-Y297 HydrophobicContact CD1-CG 3.65Å |
| 277 | M | 55.3 | Low | 67.4 | Low | 26 Ų | 26 | 73.4 Ų | 73.4 | 13% | 0.128 | 40% | 0.396 | C | S | . | . | trans | 90 | 137.3 | 176.2 | -52.7 | -96.2 | -80.6 | 0 | 0 | 116.2 | S275 A281 L282 M285 R293 | S275-M277 PolarHBondContact O-N 3.22Å; M277-A281 HydrophobicContact CB-CB 4.36Å; M277-A281 HydrophobicContact CE-CB 3.54Å; M277-A281 WeakPolarHBondContact CE-O 3.45Å; M277-A281 HydrophobicContact SD-CB 3.8Å; M277-L282 HydrophobicContact CB-CD1 4.02Å; M277-L282 HydrophobicContact CB-CD2 4.21Å; M277-L282 HydrophobicContact CB-CG 3.66Å; M277-L282 HydrophobicContact CE-CD2 3.85Å; M277-L282 HydrophobicContact CE-CG 3.96Å; M277-L282 HydrophobicContact CG-CD2 4.12Å; M277-L282 HydrophobicContact CG-CG 4.12Å; M277-M285 HydrophobicContact CE-CG 4.23Å; M277-M285 HydrophobicContact CE-SD 3.32Å; M277-M285 WeakPolarHBondContact CE-SD 3.43Å; M277-M285 HydrophobicContact SD-SD 4.15Å; M277-R293 VanDerWaalsContact SD-CD 3.58Å; M277-R293 PolarHBondContact SD-NE 3.15Å; M277-R293 PolarHBondContact SD-NH1 3.29Å | ||
| 278 | S | 56.8 | Low | 67.3 | Low | 64 Ų | 64 | 71.1 Ų | 71.1 | 45% | 0.448 | 39% | 0.388 | S | S | . | . | trans | -64.6 | 152.2 | 162.3 | 62 | 0 | 0 | 0 | 0 | 111 | S280 A281 L282 | S278-S280 PolarHBondContact O-N 3.32Å; S278-S280 PolarHBondContact OG-OG 3.07Å; S278-A281 PolarHBondContact O-N 3.08Å; S278-A281 PolarHBondContact OG-N 3.26Å; S278-L282 PolarHBondContact O-N 3.45Å | ||
| 279 | K | 55.5 | Low | 67.3 | Low | 136 Ų | 136 | 72.6 Ų | 72.6 | 59% | 0.591 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -55.3 | -26.6 | 175.1 | -65.7 | -165.5 | 178.7 | -164.7 | 0 | 112.6 | N352 | K279-N352 PolarHBondContact NZ-O 3.44Å; K279-N352 PolarHBondContact NZ-OD1 2.83Å; K279-N352 VanDerWaalsContact NZ-OD1 3.16Å |
| 280 | S | 55.6 | Low | 67.1 | Low | 87 Ų | 87 | 67.9 Ų | 67.9 | 61% | 0.608 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -71.5 | -38.9 | 173.6 | 49.9 | 0 | 0 | 0 | 0 | 114.1 | S278 S284 | S278-S280 PolarHBondContact O-N 3.32Å; S278-S280 PolarHBondContact OG-OG 3.07Å; S280-S284 PolarHBondContact O-OG 3.45Å |
| 281 | A | 58.8 | Low | 67.4 | Low | 26 Ų | 26 | 61.3 Ų | 61.3 | 22% | 0.215 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -75.9 | -30 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | M277 S278 S284 M285 | M277-A281 HydrophobicContact CB-CB 4.36Å; M277-A281 HydrophobicContact CE-CB 3.54Å; M277-A281 WeakPolarHBondContact CE-O 3.45Å; M277-A281 HydrophobicContact SD-CB 3.8Å; S278-A281 PolarHBondContact O-N 3.08Å; S278-A281 PolarHBondContact OG-N 3.26Å; A281-S284 PolarHBondContact O-OG 3.3Å; A281-M285 WeakPolarHBondContact O-CG 3.35Å |
| 282 | L | 62 | Low | 67.9 | Low | 31 Ų | 31 | 62.7 Ų | 62.7 | 16% | 0.162 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -72.9 | -29.1 | 177.1 | -78.8 | 167.4 | 0 | 0 | 0 | 113.3 | M277 S278 V290 H345 I348 L349 | M277-L282 HydrophobicContact CB-CD1 4.02Å; M277-L282 HydrophobicContact CB-CD2 4.21Å; M277-L282 HydrophobicContact CB-CG 3.66Å; M277-L282 HydrophobicContact CE-CD2 3.85Å; M277-L282 HydrophobicContact CE-CG 3.96Å; M277-L282 HydrophobicContact CG-CD2 4.12Å; M277-L282 HydrophobicContact CG-CG 4.12Å; S278-L282 PolarHBondContact O-N 3.45Å; L282-V290 HydrophobicContact CD2-CG1 3.68Å; L282-V290 HydrophobicContact CD2-CG2 4.19Å; L282-H345 PolarHBondContact O-NE2 3.39Å; L282-I348 HydrophobicContact CD2-CG2 4.38Å; L282-L349 HydrophobicContact CB-CD2 4.26Å |
| 283 | K | 61 | Low | 68.3 | Low | 172 Ų | 172 | 65.8 Ų | 65.8 | 75% | 0.748 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -72.6 | -29.7 | 176.6 | -74 | -174 | 174.1 | -169.1 | 0 | 112.8 | L349 | K283-L349 HydrophobicContact CG-CD2 4.32Å |
| 284 | S | 59.9 | Low | 68.9 | Low | 98 Ų | 98 | 64.3 Ų | 64.3 | 69% | 0.685 | 35% | 0.346 | S | S | * | . | S | Bend | trans | -98 | 0.8 | -175.3 | 61.9 | 0 | 0 | 0 | 0 | 115 | S280 A281 | S280-S284 PolarHBondContact O-OG 3.45Å; A281-S284 PolarHBondContact O-OG 3.3Å |
| 285 | M | 66.7 | Low | 69.7 | Low | 45 Ų | 45 | 60.3 Ų | 60.3 | 22% | 0.222 | 32% | 0.319 | C | S | . | . | S | Bend | trans | -106.6 | 126.5 | -179.3 | -78.2 | -173.7 | 60.6 | 0 | 0 | 111.8 | M277 A281 N289 V290 H345 | M277-M285 HydrophobicContact CE-CG 4.23Å; M277-M285 HydrophobicContact CE-SD 3.32Å; M277-M285 WeakPolarHBondContact CE-SD 3.43Å; M277-M285 HydrophobicContact SD-SD 4.15Å; A281-M285 WeakPolarHBondContact O-CG 3.35Å; M285-N289 HydrophobicContact CE-CB 3.52Å; M285-V290 HydrophobicContact CB-CG2 3.69Å; M285-V290 WeakPolarHBondContact O-CG2 3.47Å; M285-H345 PolarHBondContact O-CE1 3.15Å |
| 286 | K | 74.9 | Confident | 70.6 | Confident | 112 Ų | 112 | 62.6 Ų | 62.6 | 49% | 0.487 | 33% | 0.331 | S | S | . | . | trans | -53.8 | 145.9 | 175.2 | -66.1 | -174.8 | 179.7 | -68.3 | 0 | 112 | V288 N289 V290 D396 | K286-V288 VanDerWaalsContact C-N 3.3Å; K286-V288 PolarHBondContact O-N 2.9Å; K286-V288 VanDerWaalsContact O-N 3.08Å; K286-N289 WeakPolarHBondContact O-CB 3.31Å; K286-N289 PolarHBondContact O-N 3.31Å; K286-V290 PolarHBondContact O-N 3.34Å; K286-D396 IonicContact NZ-OD1 3.91Å; K286-D396 PolarHBondContact NZ-OD1 2.84Å; K286-D396 IonicContact NZ-OD2 3.7Å; K286-D396 PolarHBondContact NZ-OD2 2.96Å | ||
| 287 | P | 74.3 | Confident | 71.6 | Confident | 24 Ų | 24 | 62.1 Ų | 62.1 | 16% | 0.156 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -48 | -44.4 | -173.4 | -27.6 | 27.3 | 0 | 0 | 0 | 115.2 | N289 V290 L291 R341 H345 | P287-N289 PolarHBondContact O-N 2.77Å; P287-V290 PolarHBondContact O-N 2.68Å; P287-L291 WeakPolarHBondContact O-CG 3.3Å; P287-L291 PolarHBondContact O-N 3.42Å; P287-R341 HydrophobicContact CB-CB 4.08Å; P287-H345 WeakPolarHBondContact CA-ND1 3.35Å; P287-H345 HydrophobicContact CB-CB 3.91Å; P287-H345 HydrophobicContact CG-CB 4.26Å; P287-H345 VanDerWaalsContact CG-ND1 3.35Å; P287-H345 WeakPolarHBondContact CG-ND1 3.48Å |
| 288 | V | 80.9 | Confident | 73.1 | Confident | 36 Ų | 36 | 61 Ų | 61 | 22% | 0.218 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -59.5 | -35.1 | 179.7 | 176.2 | 0 | 0 | 0 | 0 | 112.3 | K286 K292 A335 R341 | K286-V288 VanDerWaalsContact C-N 3.3Å; K286-V288 PolarHBondContact O-N 2.9Å; K286-V288 VanDerWaalsContact O-N 3.08Å; V288-K292 HydrophobicContact CG1-CD 4.22Å; V288-K292 WeakPolarHBondContact O-CB 3.26Å; V288-K292 VanDerWaalsContact O-CG 3.3Å; V288-K292 WeakPolarHBondContact O-CG 3.44Å; V288-K292 PolarHBondContact O-N 3.48Å; V288-K292 VanDerWaalsContact O-N 3.1Å; V288-A335 HydrophobicContact CG1-CB 4.46Å; V288-R341 HydrophobicContact CG2-CG 4.37Å |
| 289 | N | 80 | Confident | 74.5 | Confident | 78 Ų | 78 | 60.8 Ų | 60.8 | 42% | 0.417 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -80.9 | -35.3 | -177.4 | -64 | -15.6 | 0 | 0 | 0 | 111.4 | M285 K286 P287 R293 | M285-N289 HydrophobicContact CE-CB 3.52Å; K286-N289 WeakPolarHBondContact O-CB 3.31Å; K286-N289 PolarHBondContact O-N 3.31Å; P287-N289 PolarHBondContact O-N 2.77Å; N289-R293 VanDerWaalsContact O-CB 3.31Å; N289-R293 WeakPolarHBondContact O-CB 3.42Å; N289-R293 PolarHBondContact O-N 2.77Å |
| 290 | V | 76.6 | Confident | 76 | Confident | 2 Ų | 2 | 60.7 Ų | 60.7 | 1% | 0.012 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -61.2 | -49.1 | 172 | 175.8 | 0 | 0 | 0 | 0 | 110.4 | L282 M285 K286 P287 R293 L294 I348 | L282-V290 HydrophobicContact CD2-CG1 3.68Å; L282-V290 HydrophobicContact CD2-CG2 4.19Å; M285-V290 HydrophobicContact CB-CG2 3.69Å; M285-V290 WeakPolarHBondContact O-CG2 3.47Å; K286-V290 PolarHBondContact O-N 3.34Å; P287-V290 PolarHBondContact O-N 2.68Å; V290-R293 PolarHBondContact O-N 2.84Å; V290-L294 HydrophobicContact CG1-CD1 4.14Å; V290-L294 WeakPolarHBondContact O-CG 3.5Å; V290-L294 PolarHBondContact O-N 3.35Å; V290-I348 HydrophobicContact CG1-CD1 4.14Å; V290-I348 HydrophobicContact CG1-CG2 4.47Å |
| 291 | L | 82.3 | Confident | 77.5 | Confident | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -66.2 | -40.3 | -179.3 | -64.5 | 173.1 | 0 | 0 | 0 | 112.9 | P287 R293 L294 A295 M331 I334 A335 R341 V344 I348 | P287-L291 WeakPolarHBondContact O-CG 3.3Å; P287-L291 PolarHBondContact O-N 3.42Å; L291-R293 VanDerWaalsContact C-N 3.33Å; L291-R293 PolarHBondContact O-N 2.76Å; L291-L294 PolarHBondContact O-N 2.88Å; L291-A295 PolarHBondContact O-N 2.93Å; L291-M331 HydrophobicContact CD2-CE 3.5Å; L291-M331 HydrophobicContact CD2-SD 4.14Å; L291-I334 HydrophobicContact CD1-CB 4.41Å; L291-I334 HydrophobicContact CD1-CG2 3.79Å; L291-A335 HydrophobicContact CB-CB 3.77Å; L291-R341 HydrophobicContact CD1-CB 4.22Å; L291-R341 HydrophobicContact CD1-CG 4.13Å; L291-V344 HydrophobicContact CD2-CB 4.16Å; L291-V344 HydrophobicContact CD2-CG1 3.62Å; L291-I348 HydrophobicContact CD2-CD1 3.92Å |
| 292 | K | 84.6 | Confident | 79.1 | Confident | 108 Ų | 108 | 57.2 Ų | 57.2 | 47% | 0.47 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -61.3 | -40.4 | 171.2 | -78.7 | 175.4 | -177.9 | 178.6 | 0 | 112.2 | V288 A295 T296 A335 | V288-K292 HydrophobicContact CG1-CD 4.22Å; V288-K292 WeakPolarHBondContact O-CB 3.26Å; V288-K292 VanDerWaalsContact O-CG 3.3Å; V288-K292 WeakPolarHBondContact O-CG 3.44Å; V288-K292 PolarHBondContact O-N 3.48Å; V288-K292 VanDerWaalsContact O-N 3.1Å; K292-A295 WeakPolarHBondContact O-CB 3.22Å; K292-A295 PolarHBondContact O-N 2.64Å; K292-T296 PolarHBondContact O-N 3.43Å; K292-T296 VanDerWaalsContact O-N 3.12Å; K292-T296 PolarHBondContact O-OG1 2.95Å; K292-A335 HydrophobicContact CG-CB 3.81Å |
| 293 | R | 81.8 | Confident | 80.4 | Confident | 93 Ų | 93 | 59.9 Ų | 59.9 | 35% | 0.351 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -66.3 | -45.9 | 179.4 | -170 | 169.4 | -177.5 | 151.7 | -2 | 111.3 | M277 N289 V290 L291 A295 T296 Y297 | M277-R293 VanDerWaalsContact SD-CD 3.58Å; M277-R293 PolarHBondContact SD-NE 3.15Å; M277-R293 PolarHBondContact SD-NH1 3.29Å; N289-R293 VanDerWaalsContact O-CB 3.31Å; N289-R293 WeakPolarHBondContact O-CB 3.42Å; N289-R293 PolarHBondContact O-N 2.77Å; V290-R293 PolarHBondContact O-N 2.84Å; L291-R293 VanDerWaalsContact C-N 3.33Å; L291-R293 PolarHBondContact O-N 2.76Å; R293-A295 VanDerWaalsContact C-N 3.27Å; R293-A295 PolarHBondContact O-N 2.7Å; R293-T296 PolarHBondContact O-N 3.48Å; R293-Y297 HydrophobicContact CG-CD2 3.8Å; R293-Y297 HydrophobicContact CG-CE2 3.54Å; R293-Y297 PolarHBondContact NE-OH 3.05Å; R293-Y297 PolarHBondContact NH2-OH 3.23Å; R293-Y297 WeakPolarHBondContact O-CD2 3.43Å; R293-Y297 PolarHBondContact O-N 3.3Å |
| 294 | L | 81.3 | Confident | 81.6 | Confident | 26 Ų | 26 | 54.9 Ų | 54.9 | 14% | 0.136 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -58.1 | -39.6 | 174.3 | -72 | 170.3 | 0 | 0 | 0 | 112.1 | L276 V290 L291 Y297 A298 M331 I348 | L276-L294 HydrophobicContact CD1-CD2 3.88Å; L276-L294 HydrophobicContact CD2-CD2 3.99Å; L276-L294 HydrophobicContact CG-CD2 3.94Å; V290-L294 HydrophobicContact CG1-CD1 4.14Å; V290-L294 WeakPolarHBondContact O-CG 3.5Å; V290-L294 PolarHBondContact O-N 3.35Å; L291-L294 PolarHBondContact O-N 2.88Å; L294-Y297 PolarHBondContact O-N 3.48Å; L294-A298 PolarHBondContact O-N 3.45Å; L294-M331 HydrophobicContact CB-CE 4.09Å; L294-M331 HydrophobicContact CD1-CE 3.55Å; L294-M331 HydrophobicContact CG-CE 4.47Å; L294-I348 HydrophobicContact CD1-CD1 3.37Å; L294-I348 HydrophobicContact CD1-CG1 4.12Å |
| 295 | A | 86.3 | Confident | 83 | Confident | 6 Ų | 6 | 50.2 Ų | 50.2 | 5% | 0.05 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -59.7 | -48 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | L291 K292 R293 Y297 T299 G328 M331 Q332 | L291-A295 PolarHBondContact O-N 2.93Å; K292-A295 WeakPolarHBondContact O-CB 3.22Å; K292-A295 PolarHBondContact O-N 2.64Å; R293-A295 VanDerWaalsContact C-N 3.27Å; R293-A295 PolarHBondContact O-N 2.7Å; A295-Y297 PolarHBondContact O-N 2.79Å; A295-T299 PolarHBondContact O-N 3.21Å; A295-T299 PolarHBondContact O-OG1 3.12Å; A295-G328 VanDerWaalsContact CB-O 3.24Å; A295-G328 WeakPolarHBondContact CB-O 3.38Å; A295-M331 HydrophobicContact CB-CB 4.04Å; A295-Q332 HydrophobicContact CB-CB 4.01Å |
| 296 | T | 85.7 | Confident | 84.2 | Confident | 96 Ų | 96 | 51.3 Ų | 51.3 | 59% | 0.589 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -63.2 | -39.6 | 177.4 | -53.8 | 0 | 0 | 0 | 0 | 112.6 | K292 R293 T299 R300 | K292-T296 PolarHBondContact O-N 3.43Å; K292-T296 VanDerWaalsContact O-N 3.12Å; K292-T296 PolarHBondContact O-OG1 2.95Å; R293-T296 PolarHBondContact O-N 3.48Å; T296-T299 PolarHBondContact O-N 3.22Å; T296-R300 PolarHBondContact O-N 3.03Å; T296-R300 VanDerWaalsContact O-N 3.16Å |
| 297 | Y | 83.7 | Confident | 84.9 | Confident | 38 Ų | 38 | 49.5 Ų | 49.5 | 15% | 0.149 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -69.4 | -38.1 | -178.4 | -87.1 | -118 | 0 | 0 | 0 | 111.9 | F272 S275 L276 R293 L294 A295 T299 R300 L301 | F272-Y297 AromaticContact CE2-CD1 3.99Å; F272-Y297 HydrophobicContact CE2-CD1 3.99Å; F272-Y297 HydrophobicContact CE2-CG 4.39Å; F272-Y297 VanDerWaalsContact CE2-O 3.31Å; F272-Y297 WeakPolarHBondContact CE2-O 3.3Å; S275-Y297 VanDerWaalsContact O-CE1 3.28Å; S275-Y297 WeakPolarHBondContact O-CE1 3.41Å; S275-Y297 PolarHBondContact O-OH 3.37Å; L276-Y297 HydrophobicContact CD1-CD1 3.36Å; L276-Y297 HydrophobicContact CD1-CE1 4.17Å; L276-Y297 HydrophobicContact CD1-CG 3.65Å; R293-Y297 HydrophobicContact CG-CD2 3.8Å; R293-Y297 HydrophobicContact CG-CE2 3.54Å; R293-Y297 PolarHBondContact NE-OH 3.05Å; R293-Y297 PolarHBondContact NH2-OH 3.23Å; R293-Y297 WeakPolarHBondContact O-CD2 3.43Å; R293-Y297 PolarHBondContact O-N 3.3Å; L294-Y297 PolarHBondContact O-N 3.48Å; A295-Y297 PolarHBondContact O-N 2.79Å; Y297-T299 VanDerWaalsContact C-N 3.33Å; Y297-T299 PolarHBondContact O-N 3.32Å; Y297-R300 PolarHBondContact O-N 3.23Å; Y297-R300 VanDerWaalsContact O-N 3.11Å; Y297-L301 PolarHBondContact O-N 3.5Å |
| 298 | A | 86 | Confident | 85.6 | Confident | 4 Ų | 4 | 49.7 Ų | 49.7 | 3% | 0.033 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -59 | -42.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | L294 L301 H302 F327 | L294-A298 PolarHBondContact O-N 3.45Å; A298-L301 PolarHBondContact O-N 3.42Å; A298-H302 PolarHBondContact O-N 3.02Å; A298-F327 HydrophobicContact CB-CD1 3.8Å; A298-F327 HydrophobicContact CB-CE1 4.44Å |
| 299 | T | 87.2 | Confident | 85.9 | Confident | 59 Ų | 59 | 48 Ų | 48 | 36% | 0.362 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -63.2 | -41.2 | 173.1 | -48.2 | 0 | 0 | 0 | 0 | 112 | A295 T296 Y297 L301 H302 D303 L325 | A295-T299 PolarHBondContact O-N 3.21Å; A295-T299 PolarHBondContact O-OG1 3.12Å; T296-T299 PolarHBondContact O-N 3.22Å; Y297-T299 VanDerWaalsContact C-N 3.33Å; Y297-T299 PolarHBondContact O-N 3.32Å; T299-L301 PolarHBondContact O-N 2.96Å; T299-H302 WeakPolarHBondContact O-CB 3.23Å; T299-H302 PolarHBondContact O-N 3.49Å; T299-D303 PolarHBondContact O-N 3.33Å; T299-L325 HydrophobicContact CG2-CD2 4.13Å |
| 300 | R | 86.9 | Confident | 86.3 | Confident | 133 Ų | 133 | 50.3 Ų | 50.3 | 50% | 0.502 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -63.6 | -40.5 | 178.7 | 179.4 | 177.5 | 169.2 | 173 | -2.4 | 112.9 | T296 Y297 H302 D303 E304 | T296-R300 PolarHBondContact O-N 3.03Å; T296-R300 VanDerWaalsContact O-N 3.16Å; Y297-R300 PolarHBondContact O-N 3.23Å; Y297-R300 VanDerWaalsContact O-N 3.11Å; R300-H302 VanDerWaalsContact C-N 3.31Å; R300-H302 PolarHBondContact O-N 3.3Å; R300-D303 PolarHBondContact O-N 3.37Å; R300-E304 HydrophobicContact CG-CG 4.43Å; R300-E304 IonicContact CZ-OE1 2.79Å; R300-E304 IonicContact NE-OE1 3.09Å; R300-E304 PolarHBondContact NE-OE1 2.7Å; R300-E304 IonicContact NE-OE2 2.72Å; R300-E304 IonicContact NH2-OE1 2.72Å; R300-E304 PolarHBondContact NH2-OE1 2.71Å; R300-E304 PolarHBondContact O-N 3.49Å |
| 301 | L | 87 | Confident | 86.7 | Confident | 4 Ų | 4 | 54 Ų | 54 | 2% | 0.021 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -63.8 | -37.5 | 178.8 | 179.4 | 60.3 | 0 | 0 | 0 | 112.2 | Y269 F272 Y297 A298 T299 D303 E304 L305 L324 | Y269-L301 HydrophobicContact CD1-CD2 4.09Å; Y269-L301 HydrophobicContact CE1-CD2 3.78Å; F272-L301 HydrophobicContact CB-CD1 4.06Å; F272-L301 HydrophobicContact CD1-CD2 3.86Å; F272-L301 HydrophobicContact CD2-CB 3.85Å; F272-L301 HydrophobicContact CD2-CD1 4.06Å; F272-L301 HydrophobicContact CD2-CD2 4.25Å; F272-L301 HydrophobicContact CD2-CG 4.27Å; F272-L301 HydrophobicContact CE1-CD2 3.85Å; F272-L301 HydrophobicContact CE2-CB 3.7Å; F272-L301 HydrophobicContact CE2-CD2 4.26Å; F272-L301 HydrophobicContact CE2-CG 4.44Å; F272-L301 HydrophobicContact CG-CB 4.44Å; F272-L301 HydrophobicContact CG-CD1 3.97Å; F272-L301 HydrophobicContact CG-CD2 4.05Å; F272-L301 HydrophobicContact CG-CG 4.38Å; F272-L301 HydrophobicContact CZ-CB 4.17Å; F272-L301 HydrophobicContact CZ-CD2 4.05Å; Y297-L301 PolarHBondContact O-N 3.5Å; A298-L301 PolarHBondContact O-N 3.42Å; T299-L301 PolarHBondContact O-N 2.96Å; L301-D303 VanDerWaalsContact C-N 3.34Å; L301-E304 PolarHBondContact O-N 3.24Å; L301-L305 HydrophobicContact CD1-CD1 3.99Å; L301-L305 HydrophobicContact CD1-CG 4.09Å; L301-L305 HydrophobicContact CG-CD1 3.9Å; L301-L305 HydrophobicContact CG-CG 4.44Å; L301-L305 WeakPolarHBondContact O-CB 3.26Å; L301-L305 WeakPolarHBondContact O-CG 3.1Å; L301-L305 PolarHBondContact O-N 2.75Å; L301-L324 HydrophobicContact CB-CD1 4.27Å; L301-L324 HydrophobicContact CD2-CD1 4.12Å; L301-L324 HydrophobicContact CD2-CD2 4.05Å; L301-L324 HydrophobicContact CG-CD1 3.95Å |
| 302 | H | 91.6 | Very high | 86.7 | Confident | 37 Ų | 37 | 59.3 Ų | 59.3 | 17% | 0.171 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -56.7 | -48.7 | 172.4 | 163.2 | -76.3 | 0 | 0 | 0 | 111 | A298 T299 R300 L305 Q306 L324 L325 | A298-H302 PolarHBondContact O-N 3.02Å; T299-H302 WeakPolarHBondContact O-CB 3.23Å; T299-H302 PolarHBondContact O-N 3.49Å; R300-H302 VanDerWaalsContact C-N 3.31Å; R300-H302 PolarHBondContact O-N 3.3Å; H302-L305 PolarHBondContact O-N 3.26Å; H302-Q306 WeakPolarHBondContact O-CB 3.19Å; H302-Q306 PolarHBondContact O-N 3.24Å; H302-L324 HydrophobicContact CB-CB 4.21Å; H302-L324 HydrophobicContact CB-CD1 4.07Å; H302-L325 HydrophobicContact CB-CD2 4.17Å |
| 303 | D | 89.4 | Confident | 86.8 | Confident | 87 Ų | 87 | 59.6 Ų | 59.6 | 47% | 0.465 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -68.9 | -36.4 | -177.2 | -59.1 | -17.2 | 0 | 0 | 0 | 112.2 | T299 R300 L301 S307 | T299-D303 PolarHBondContact O-N 3.33Å; R300-D303 PolarHBondContact O-N 3.37Å; L301-D303 VanDerWaalsContact C-N 3.34Å; D303-S307 WeakPolarHBondContact O-CB 3.45Å; D303-S307 PolarHBondContact O-N 2.85Å |
| 304 | E | 87.1 | Confident | 86.9 | Confident | 66 Ų | 66 | 58.6 Ų | 58.6 | 31% | 0.308 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -68.5 | -41.2 | 175.6 | -73.2 | 175.5 | 166.2 | 0 | 0 | 112.3 | R300 L301 W308 | R300-E304 HydrophobicContact CG-CG 4.43Å; R300-E304 IonicContact CZ-OE1 2.79Å; R300-E304 IonicContact NE-OE1 3.09Å; R300-E304 PolarHBondContact NE-OE1 2.7Å; R300-E304 IonicContact NE-OE2 2.72Å; R300-E304 IonicContact NH2-OE1 2.72Å; R300-E304 PolarHBondContact NH2-OE1 2.71Å; R300-E304 PolarHBondContact O-N 3.49Å; L301-E304 PolarHBondContact O-N 3.24Å; E304-W308 WeakPolarHBondContact O-CB 3.24Å; E304-W308 PolarHBondContact O-N 2.92Å |
| 305 | L | 90 | Very high | 87 | Confident | 0 Ų | 0 | 63.9 Ų | 63.9 | 0% | 0 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -67.9 | -35.8 | 175 | -73.4 | 168.3 | 0 | 0 | 0 | 112.8 | L268 L301 H302 A309 W316 L321 L324 | L268-L305 HydrophobicContact CD1-CD2 3.9Å; L301-L305 HydrophobicContact CD1-CD1 3.99Å; L301-L305 HydrophobicContact CD1-CG 4.09Å; L301-L305 HydrophobicContact CG-CD1 3.9Å; L301-L305 HydrophobicContact CG-CG 4.44Å; L301-L305 WeakPolarHBondContact O-CB 3.26Å; L301-L305 WeakPolarHBondContact O-CG 3.1Å; L301-L305 PolarHBondContact O-N 2.75Å; H302-L305 PolarHBondContact O-N 3.26Å; L305-A309 PolarHBondContact O-N 2.75Å; L305-W316 HydrophobicContact CB-CZ2 4.06Å; L305-W316 HydrophobicContact CD2-CH2 4.26Å; L305-W316 HydrophobicContact CD2-CZ2 3.93Å; L305-W316 PolarHBondContact O-NE1 2.92Å; L305-L321 HydrophobicContact CB-CD1 4.2Å; L305-L321 HydrophobicContact CB-CD2 4.08Å; L305-L321 HydrophobicContact CD1-CD2 3.86Å; L305-L324 HydrophobicContact CD1-CD1 4.08Å |
| 306 | Q | 90.4 | Very high | 86.9 | Confident | 69 Ų | 69 | 65.7 Ų | 65.7 | 32% | 0.322 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -67.1 | -48.9 | 175.5 | -179 | 60.3 | 23.7 | 0 | 0 | 111.1 | H302 W308 A309 E310 L321 | H302-Q306 WeakPolarHBondContact O-CB 3.19Å; H302-Q306 PolarHBondContact O-N 3.24Å; Q306-W308 PolarHBondContact O-N 3.35Å; Q306-A309 PolarHBondContact O-N 2.95Å; Q306-E310 PolarHBondContact NE2-OE1 3.31Å; Q306-E310 PolarHBondContact O-N 2.78Å; Q306-L321 HydrophobicContact CB-CD1 4.31Å |
| 307 | S | 89.8 | Confident | 86.8 | Confident | 74 Ų | 74 | 65.4 Ų | 65.4 | 52% | 0.517 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -60.3 | -41 | 177.9 | -178.3 | 0 | 0 | 0 | 0 | 112.8 | D303 A309 E310 A311 | D303-S307 WeakPolarHBondContact O-CB 3.45Å; D303-S307 PolarHBondContact O-N 2.85Å; S307-A309 VanDerWaalsContact C-N 3.3Å; S307-A309 PolarHBondContact O-N 2.9Å; S307-E310 PolarHBondContact O-N 3.35Å; S307-A311 WeakPolarHBondContact O-CB 3Å; S307-A311 PolarHBondContact O-N 3.43Å |
| 308 | W | 89.8 | Confident | 86.7 | Confident | 27 Ų | 27 | 74 Ų | 74 | 10% | 0.102 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -60.1 | -37.6 | 176.2 | 173.6 | 97.8 | 0 | 0 | 0 | 113.1 | L261 D264 I265 L268 E304 Q306 R312 L314 W316 | L261-W308 HydrophobicContact CD2-CH2 3.71Å; L261-W308 HydrophobicContact CD2-CZ2 3.95Å; D264-W308 HydrophobicContact CB-CZ2 3.67Å; D264-W308 PolarHBondContact OD2-NE1 2.88Å; I265-W308 HydrophobicContact CD1-CH2 3.77Å; I265-W308 HydrophobicContact CD1-CZ2 4.49Å; I265-W308 HydrophobicContact CD1-CZ3 4.07Å; I265-W308 HydrophobicContact CG1-CH2 3.71Å; I265-W308 HydrophobicContact CG1-CZ2 3.99Å; I265-W308 HydrophobicContact CG1-CZ3 4.06Å; L268-W308 HydrophobicContact CD1-CB 3.96Å; L268-W308 HydrophobicContact CD1-CD2 4.27Å; L268-W308 HydrophobicContact CD1-CG 3.71Å; E304-W308 WeakPolarHBondContact O-CB 3.24Å; E304-W308 PolarHBondContact O-N 2.92Å; Q306-W308 PolarHBondContact O-N 3.35Å; W308-R312 VanDerWaalsContact CD1-NH1 3.28Å; W308-R312 PolarHBondContact O-NH1 3.48Å; W308-L314 HydrophobicContact CH2-CD1 3.99Å; W308-L314 HydrophobicContact CZ3-CD1 3.96Å; W308-W316 HydrophobicContact CE3-CZ2 4.26Å; W308-W316 HydrophobicContact CZ3-CZ2 4.27Å |
| 309 | A | 87.1 | Confident | 86.5 | Confident | 2 Ų | 2 | 75.6 Ų | 75.6 | 2% | 0.017 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -74.4 | -44.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | L305 Q306 S307 A311 R312 S313 L314 | L305-A309 PolarHBondContact O-N 2.75Å; Q306-A309 PolarHBondContact O-N 2.95Å; S307-A309 VanDerWaalsContact C-N 3.3Å; S307-A309 PolarHBondContact O-N 2.9Å; A309-A311 VanDerWaalsContact C-N 3.33Å; A309-A311 PolarHBondContact O-N 3.45Å; A309-R312 CarbonylContact O-C 3.57Å; A309-R312 WeakPolarHBondContact O-CA 3.46Å; A309-R312 PolarHBondContact O-N 3.43Å; A309-S313 PolarHBondContact O-N 2.68Å; A309-S313 VanDerWaalsContact O-N 3.08Å; A309-L314 HydrophobicContact CB-CB 4.15Å; A309-L314 PolarHBondContact O-N 3.36Å |
| 310 | E | 87.5 | Confident | 86.3 | Confident | 125 Ų | 125 | 77.4 Ų | 77.4 | 58% | 0.584 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -57.8 | -44.7 | 175.8 | -72.2 | 177 | -168.1 | 0 | 0 | 111.6 | Q306 S307 R312 S313 | Q306-E310 PolarHBondContact NE2-OE1 3.31Å; Q306-E310 PolarHBondContact O-N 2.78Å; S307-E310 PolarHBondContact O-N 3.35Å; E310-R312 PolarHBondContact O-N 3.21Å; E310-R312 VanDerWaalsContact O-N 3.13Å; E310-S313 PolarHBondContact O-N 2.84Å; E310-S313 VanDerWaalsContact O-N 3.09Å |
| 311 | A | 85.6 | Confident | 86.4 | Confident | 81 Ų | 81 | 71.5 Ų | 71.5 | 67% | 0.669 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | -18.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | S307 A309 | S307-A311 WeakPolarHBondContact O-CB 3Å; S307-A311 PolarHBondContact O-N 3.43Å; A309-A311 VanDerWaalsContact C-N 3.33Å; A309-A311 PolarHBondContact O-N 3.45Å |
| 312 | R | 82.7 | Confident | 86.5 | Confident | 111 Ų | 111 | 75.6 Ų | 75.6 | 42% | 0.419 | 41% | 0.412 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.8 | 3.2 | 177.8 | -72.6 | 168.7 | 174.4 | 61.9 | -0.1 | 113.4 | D264 W308 A309 E310 L314 | D264-R312 IonicContact OD2-CZ 3Å; D264-R312 IonicContact OD2-NE 3.11Å; D264-R312 PolarHBondContact OD2-NE 2.7Å; D264-R312 IonicContact OD2-NH2 3.16Å; D264-R312 PolarHBondContact OD2-NH2 2.6Å; W308-R312 VanDerWaalsContact CD1-NH1 3.28Å; W308-R312 PolarHBondContact O-NH1 3.48Å; A309-R312 CarbonylContact O-C 3.57Å; A309-R312 WeakPolarHBondContact O-CA 3.46Å; A309-R312 PolarHBondContact O-N 3.43Å; E310-R312 PolarHBondContact O-N 3.21Å; E310-R312 VanDerWaalsContact O-N 3.13Å; R312-L314 HydrophobicContact CB-CD1 3.81Å; R312-L314 HydrophobicContact CB-CG 3.83Å; R312-L314 PolarHBondContact O-N 2.99Å |
| 313 | S | 85.3 | Confident | 86.2 | Confident | 114 Ų | 114 | 77.3 Ų | 77.3 | 80% | 0.797 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.1 | 34 | -170.5 | -56.7 | 0 | 0 | 0 | 0 | 113.9 | A309 E310 | A309-S313 PolarHBondContact O-N 2.68Å; A309-S313 VanDerWaalsContact O-N 3.08Å; E310-S313 PolarHBondContact O-N 2.84Å; E310-S313 VanDerWaalsContact O-N 3.09Å |
| 314 | L | 84.2 | Confident | 86.1 | Confident | 71 Ų | 71 | 74.4 Ų | 74.4 | 37% | 0.372 | 41% | 0.412 | S | S | . | . | trans | -100.6 | 160.2 | 176.4 | -61.5 | 175.8 | 0 | 0 | 0 | 111 | L261 W308 A309 R312 | L261-L314 HydrophobicContact CD2-CD1 3.84Å; W308-L314 HydrophobicContact CH2-CD1 3.99Å; W308-L314 HydrophobicContact CZ3-CD1 3.96Å; A309-L314 HydrophobicContact CB-CB 4.15Å; A309-L314 PolarHBondContact O-N 3.36Å; R312-L314 HydrophobicContact CB-CD1 3.81Å; R312-L314 HydrophobicContact CB-CG 3.83Å; R312-L314 PolarHBondContact O-N 2.99Å | ||
| 315 | V | 84 | Confident | 86.3 | Confident | 138 Ų | 138 | 74 Ų | 74 | 84% | 0.836 | 41% | 0.412 | S | S | * | . | trans | -134.4 | 125.1 | -179.7 | -177 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 316 | W | 83.2 | Confident | 86.3 | Confident | 44 Ų | 44 | 78.5 Ų | 78.5 | 17% | 0.167 | 44% | 0.439 | C | S | . | . | P | Polyproline II helix | trans | -69.4 | 148.3 | 175.5 | -69.4 | 105 | 0 | 0 | 0 | 112.1 | I265 L305 W308 K318 H320 L321 | I265-W316 HydrophobicContact CD1-CH2 3.88Å; I265-W316 HydrophobicContact CG1-CH2 4.3Å; L305-W316 HydrophobicContact CB-CZ2 4.06Å; L305-W316 HydrophobicContact CD2-CH2 4.26Å; L305-W316 HydrophobicContact CD2-CZ2 3.93Å; L305-W316 PolarHBondContact O-NE1 2.92Å; W308-W316 HydrophobicContact CE3-CZ2 4.26Å; W308-W316 HydrophobicContact CZ3-CZ2 4.27Å; W316-K318 PolarHBondContact O-N 3.22Å; W316-H320 AromaticContact CE3-CD2 3.46Å; W316-H320 VanDerWaalsContact CE3-CD2 3.46Å; W316-H320 AromaticContact CE3-NE2 3.98Å; W316-H320 AromaticContact CZ3-CD2 3.74Å; W316-H320 AromaticContact CZ3-NE2 3.8Å; W316-L321 HydrophobicContact CD2-CD1 4.48Å; W316-L321 HydrophobicContact CD2-CD2 4.26Å; W316-L321 HydrophobicContact CD2-CG 4.41Å; W316-L321 HydrophobicContact CG-CD1 4.09Å; W316-L321 HydrophobicContact CG-CG 4.21Å |
| 317 | P | 83.7 | Confident | 86.2 | Confident | 89 Ų | 89 | 79.7 Ų | 79.7 | 58% | 0.578 | 44% | 0.443 | S | S | * | . | P | Polyproline II helix | trans | -56.5 | 137.9 | 170 | -22.7 | 33.5 | 0 | 0 | 0 | 111.2 | G319 H320 | P317-G319 PolarHBondContact O-N 3.43Å; P317-G319 VanDerWaalsContact O-N 3.12Å; P317-H320 HydrophobicContact CB-CB 4.3Å; P317-H320 WeakPolarHBondContact O-CB 3.47Å; P317-H320 PolarHBondContact O-N 3.35Å |
| 318 | K | 82.4 | Confident | 86.1 | Confident | 218 Ų | 218 | 76.3 Ų | 76.3 | 95% | 0.948 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | 118.5 | -174.8 | -175.1 | -179.4 | 179.2 | -178.1 | 0 | 111.1 | W316 | W316-K318 PolarHBondContact O-N 3.22Š|
| 319 | G | 81.8 | Confident | 86.1 | Confident | 38 Ų | 38 | 79.9 Ų | 79.9 | 39% | 0.392 | 44% | 0.438 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 93.1 | -1.1 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | P317 D322 | P317-G319 PolarHBondContact O-N 3.43Å; P317-G319 VanDerWaalsContact O-N 3.12Å; G319-D322 WeakPolarHBondContact CA-OD1 3.12Å |
| 320 | H | 83.9 | Confident | 86 | Confident | 97 Ų | 97 | 85.4 Ų | 85.4 | 45% | 0.449 | 46% | 0.462 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -47.1 | -176 | -170.3 | 76.5 | 0 | 0 | 0 | 112.7 | W316 P317 S323 | W316-H320 AromaticContact CE3-CD2 3.46Å; W316-H320 VanDerWaalsContact CE3-CD2 3.46Å; W316-H320 AromaticContact CE3-NE2 3.98Å; W316-H320 AromaticContact CZ3-CD2 3.74Å; W316-H320 AromaticContact CZ3-NE2 3.8Å; P317-H320 HydrophobicContact CB-CB 4.3Å; P317-H320 WeakPolarHBondContact O-CB 3.47Å; P317-H320 PolarHBondContact O-N 3.35Å; H320-S323 PolarHBondContact O-OG 3.05Å |
| 321 | L | 88.3 | Confident | 85.9 | Confident | 9 Ų | 9 | 79.8 Ų | 79.8 | 5% | 0.047 | 44% | 0.436 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.2 | -17.1 | -178.9 | -56.7 | -176.9 | 0 | 0 | 0 | 113.8 | L305 Q306 W316 S323 L324 | L305-L321 HydrophobicContact CB-CD1 4.2Å; L305-L321 HydrophobicContact CB-CD2 4.08Å; L305-L321 HydrophobicContact CD1-CD2 3.86Å; Q306-L321 HydrophobicContact CB-CD1 4.31Å; W316-L321 HydrophobicContact CD2-CD1 4.48Å; W316-L321 HydrophobicContact CD2-CD2 4.26Å; W316-L321 HydrophobicContact CD2-CG 4.41Å; W316-L321 HydrophobicContact CG-CD1 4.09Å; W316-L321 HydrophobicContact CG-CG 4.21Å; L321-S323 PolarHBondContact O-N 2.73Å; L321-L324 WeakPolarHBondContact O-CB 3.38Å; L321-L324 PolarHBondContact O-N 3.01Å |
| 322 | D | 88.3 | Confident | 86 | Confident | 91 Ų | 91 | 81.8 Ų | 81.8 | 49% | 0.487 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -54.7 | -30.7 | -179.3 | -61.9 | 23.2 | 0 | 0 | 0 | 112.4 | G319 L324 L325 V326 | G319-D322 WeakPolarHBondContact CA-OD1 3.12Å; D322-L324 VanDerWaalsContact C-N 3.26Å; D322-L324 PolarHBondContact O-N 3.36Å; D322-L325 PolarHBondContact O-N 3.42Å; D322-L325 VanDerWaalsContact O-N 3.11Å; D322-V326 WeakPolarHBondContact O-CG2 3.16Å; D322-V326 PolarHBondContact O-N 3.33Å |
| 323 | S | 86.5 | Confident | 86 | Confident | 73 Ų | 73 | 84.4 Ų | 84.4 | 51% | 0.51 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -51.9 | -40.4 | 174.9 | 58.4 | 0 | 0 | 0 | 0 | 113.3 | H320 L321 V326 F327 | H320-S323 PolarHBondContact O-OG 3.05Å; L321-S323 PolarHBondContact O-N 2.73Å; S323-V326 PolarHBondContact O-N 3.14Å; S323-F327 WeakPolarHBondContact O-CB 3.44Å; S323-F327 PolarHBondContact O-N 3.19Å |
| 324 | L | 87.6 | Confident | 85.9 | Confident | 26 Ų | 26 | 80 Ų | 80 | 14% | 0.136 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -68.3 | -39.8 | 178.3 | -64.8 | 174.2 | 0 | 0 | 0 | 111.7 | L301 H302 L305 L321 D322 F327 G328 | L301-L324 HydrophobicContact CB-CD1 4.27Å; L301-L324 HydrophobicContact CD2-CD1 4.12Å; L301-L324 HydrophobicContact CD2-CD2 4.05Å; L301-L324 HydrophobicContact CG-CD1 3.95Å; H302-L324 HydrophobicContact CB-CB 4.21Å; H302-L324 HydrophobicContact CB-CD1 4.07Å; L305-L324 HydrophobicContact CD1-CD1 4.08Å; L321-L324 WeakPolarHBondContact O-CB 3.38Å; L321-L324 PolarHBondContact O-N 3.01Å; D322-L324 VanDerWaalsContact C-N 3.26Å; D322-L324 PolarHBondContact O-N 3.36Å; L324-F327 PolarHBondContact O-N 3.01Å; L324-G328 PolarHBondContact O-N 3.06Å |
| 325 | L | 90.4 | Very high | 85.8 | Confident | 57 Ų | 57 | 76.7 Ų | 76.7 | 30% | 0.298 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -67.5 | -40.3 | 177.1 | -58.9 | 179.9 | 0 | 0 | 0 | 111.4 | T299 H302 D322 G328 Q329 | T299-L325 HydrophobicContact CG2-CD2 4.13Å; H302-L325 HydrophobicContact CB-CD2 4.17Å; D322-L325 PolarHBondContact O-N 3.42Å; D322-L325 VanDerWaalsContact O-N 3.11Å; L325-G328 PolarHBondContact O-N 3.29Å; L325-Q329 WeakPolarHBondContact O-CG 3.23Å; L325-Q329 PolarHBondContact O-N 2.98Å |
| 326 | V | 89.2 | Confident | 85.5 | Confident | 95 Ų | 95 | 72.9 Ų | 72.9 | 58% | 0.576 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -64.5 | -45 | 175 | 173.5 | 0 | 0 | 0 | 0 | 111 | D322 S323 G328 Q329 F330 | D322-V326 WeakPolarHBondContact O-CG2 3.16Å; D322-V326 PolarHBondContact O-N 3.33Å; S323-V326 PolarHBondContact O-N 3.14Å; V326-G328 PolarHBondContact O-N 3.22Å; V326-Q329 PolarHBondContact O-N 2.92Å; V326-F330 WeakPolarHBondContact O-CB 3.28Å; V326-F330 PolarHBondContact O-N 3.3Å |
| 327 | F | 88.8 | Confident | 84.7 | Confident | 93 Ų | 93 | 76.6 Ų | 76.6 | 41% | 0.408 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -61.8 | -41.6 | 175.4 | 178.8 | -103.5 | 0 | 0 | 0 | 112.1 | A298 S323 L324 Q329 F330 M331 | A298-F327 HydrophobicContact CB-CD1 3.8Å; A298-F327 HydrophobicContact CB-CE1 4.44Å; S323-F327 WeakPolarHBondContact O-CB 3.44Å; S323-F327 PolarHBondContact O-N 3.19Å; L324-F327 PolarHBondContact O-N 3.01Å; F327-Q329 PolarHBondContact O-N 3.36Å; F327-F330 WeakPolarHBondContact O-CB 2.93Å; F327-F330 PolarHBondContact O-N 2.91Å; F327-M331 HydrophobicContact CD1-CG 4.32Å; F327-M331 HydrophobicContact CD2-CG 4.28Å; F327-M331 HydrophobicContact CE1-CG 3.89Å; F327-M331 HydrophobicContact CE2-CE 4.45Å; F327-M331 HydrophobicContact CE2-CG 3.85Å; F327-M331 HydrophobicContact CE2-SD 4.04Å; F327-M331 HydrophobicContact CZ-CE 3.93Å; F327-M331 HydrophobicContact CZ-CG 3.65Å; F327-M331 HydrophobicContact CZ-SD 4.03Å; F327-M331 WeakPolarHBondContact O-CG 3.46Å; F327-M331 PolarHBondContact O-N 3.19Å |
| 328 | G | 87.6 | Confident | 83.6 | Confident | 3 Ų | 3 | 73 Ų | 73 | 3% | 0.031 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -56.9 | -50.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | A295 L324 L325 V326 F330 M331 Q332 | A295-G328 VanDerWaalsContact CB-O 3.24Å; A295-G328 WeakPolarHBondContact CB-O 3.38Å; L324-G328 PolarHBondContact O-N 3.06Å; L325-G328 PolarHBondContact O-N 3.29Å; V326-G328 PolarHBondContact O-N 3.22Å; G328-F330 VanDerWaalsContact C-N 3.33Å; G328-F330 PolarHBondContact O-N 3.35Å; G328-M331 PolarHBondContact O-N 3.38Å; G328-Q332 WeakPolarHBondContact O-CB 3.48Å; G328-Q332 PolarHBondContact O-N 2.79Å |
| 329 | Q | 89 | Confident | 82.4 | Confident | 102 Ų | 102 | 67 Ų | 67 | 48% | 0.477 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -61 | -38.9 | 176 | -69.2 | 178.7 | 37.7 | 0 | 0 | 112.8 | L325 V326 F327 Q332 R333 | L325-Q329 WeakPolarHBondContact O-CG 3.23Å; L325-Q329 PolarHBondContact O-N 2.98Å; V326-Q329 PolarHBondContact O-N 2.92Å; F327-Q329 PolarHBondContact O-N 3.36Å; Q329-Q332 PolarHBondContact O-N 3.1Å; Q329-R333 VanDerWaalsContact O-CG 3.32Å; Q329-R333 WeakPolarHBondContact O-CG 3.45Å; Q329-R333 PolarHBondContact O-N 3.32Å |
| 330 | F | 85.8 | Confident | 81.7 | Confident | 118 Ų | 118 | 71 Ų | 71 | 52% | 0.518 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -62.8 | -51.1 | 178.2 | 176.2 | -104.9 | 0 | 0 | 0 | 111.8 | V326 F327 G328 Q332 R333 I334 | V326-F330 WeakPolarHBondContact O-CB 3.28Å; V326-F330 PolarHBondContact O-N 3.3Å; F327-F330 WeakPolarHBondContact O-CB 2.93Å; F327-F330 PolarHBondContact O-N 2.91Å; G328-F330 VanDerWaalsContact C-N 3.33Å; G328-F330 PolarHBondContact O-N 3.35Å; F330-Q332 VanDerWaalsContact C-N 3.29Å; F330-Q332 PolarHBondContact O-N 3.07Å; F330-R333 PolarHBondContact O-N 2.99Å; F330-R333 VanDerWaalsContact O-N 3.12Å; F330-I334 HydrophobicContact CD1-CD1 4.12Å; F330-I334 HydrophobicContact CE1-CD1 3.57Å; F330-I334 HydrophobicContact CE2-CD1 4.18Å; F330-I334 HydrophobicContact CZ-CD1 3.62Å; F330-I334 PolarHBondContact O-N 2.81Å; F330-I334 VanDerWaalsContact O-N 3.09Å |
| 331 | M | 86.6 | Confident | 81.1 | Confident | 8 Ų | 8 | 70.1 Ų | 70.1 | 4% | 0.039 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -62.9 | -36.6 | 178.7 | -65.1 | -61.7 | -97.4 | 0 | 0 | 112 | L291 L294 A295 F327 G328 R333 I334 A335 V344 I348 | L291-M331 HydrophobicContact CD2-CE 3.5Å; L291-M331 HydrophobicContact CD2-SD 4.14Å; L294-M331 HydrophobicContact CB-CE 4.09Å; L294-M331 HydrophobicContact CD1-CE 3.55Å; L294-M331 HydrophobicContact CG-CE 4.47Å; A295-M331 HydrophobicContact CB-CB 4.04Å; F327-M331 HydrophobicContact CD1-CG 4.32Å; F327-M331 HydrophobicContact CD2-CG 4.28Å; F327-M331 HydrophobicContact CE1-CG 3.89Å; F327-M331 HydrophobicContact CE2-CE 4.45Å; F327-M331 HydrophobicContact CE2-CG 3.85Å; F327-M331 HydrophobicContact CE2-SD 4.04Å; F327-M331 HydrophobicContact CZ-CE 3.93Å; F327-M331 HydrophobicContact CZ-CG 3.65Å; F327-M331 HydrophobicContact CZ-SD 4.03Å; F327-M331 WeakPolarHBondContact O-CG 3.46Å; F327-M331 PolarHBondContact O-N 3.19Å; G328-M331 PolarHBondContact O-N 3.38Å; M331-R333 PolarHBondContact O-N 3.29Å; M331-I334 PolarHBondContact O-N 3.27Å; M331-A335 WeakPolarHBondContact O-CB 3.37Å; M331-A335 PolarHBondContact O-N 2.99Å; M331-V344 HydrophobicContact CE-CG1 4.2Å; M331-I348 HydrophobicContact CE-CD1 4.17Å |
| 332 | Q | 86.6 | Confident | 79.9 | Confident | 123 Ų | 123 | 72.7 Ų | 72.7 | 58% | 0.575 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -64.6 | -37.5 | 174.7 | -162.6 | 176.9 | 20.3 | 0 | 0 | 112.6 | A295 G328 Q329 F330 A336 | A295-Q332 HydrophobicContact CB-CB 4.01Å; G328-Q332 WeakPolarHBondContact O-CB 3.48Å; G328-Q332 PolarHBondContact O-N 2.79Å; Q329-Q332 PolarHBondContact O-N 3.1Å; F330-Q332 VanDerWaalsContact C-N 3.29Å; F330-Q332 PolarHBondContact O-N 3.07Å; Q332-A336 WeakPolarHBondContact O-CB 3.28Å; Q332-A336 PolarHBondContact O-N 2.93Å |
| 333 | R | 83.7 | Confident | 78.9 | Confident | 166 Ų | 166 | 72.9 Ų | 72.9 | 63% | 0.626 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -67 | -44.4 | 174.8 | -71.5 | 172.9 | -167.9 | -171.2 | 7.6 | 112.2 | Q329 F330 M331 A335 A336 T337 | Q329-R333 VanDerWaalsContact O-CG 3.32Å; Q329-R333 WeakPolarHBondContact O-CG 3.45Å; Q329-R333 PolarHBondContact O-N 3.32Å; F330-R333 PolarHBondContact O-N 2.99Å; F330-R333 VanDerWaalsContact O-N 3.12Å; M331-R333 PolarHBondContact O-N 3.29Å; R333-A335 VanDerWaalsContact C-N 3.34Å; R333-A335 PolarHBondContact O-N 2.92Å; R333-A336 PolarHBondContact O-N 3.22Å; R333-A336 VanDerWaalsContact O-N 3.15Å; R333-T337 PolarHBondContact O-N 2.84Å; R333-T337 PolarHBondContact O-OG1 3.19Å |
| 334 | I | 82 | Confident | 78 | Confident | 21 Ų | 21 | 70.7 Ų | 70.7 | 11% | 0.108 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -62.3 | -44.1 | 176.5 | -59.9 | 179.3 | 0 | 0 | 0 | 110.3 | L291 F330 M331 A336 G338 R341 V344 | L291-I334 HydrophobicContact CD1-CB 4.41Å; L291-I334 HydrophobicContact CD1-CG2 3.79Å; F330-I334 HydrophobicContact CD1-CD1 4.12Å; F330-I334 HydrophobicContact CE1-CD1 3.57Å; F330-I334 HydrophobicContact CE2-CD1 4.18Å; F330-I334 HydrophobicContact CZ-CD1 3.62Å; F330-I334 PolarHBondContact O-N 2.81Å; F330-I334 VanDerWaalsContact O-N 3.09Å; M331-I334 PolarHBondContact O-N 3.27Å; I334-A336 VanDerWaalsContact C-N 3.28Å; I334-A336 PolarHBondContact O-N 3.39Å; I334-G338 PolarHBondContact O-N 2.78Å; I334-R341 HydrophobicContact CG2-CG 4.46Å; I334-R341 WeakPolarHBondContact O-CG 3.49Å; I334-V344 HydrophobicContact CD1-CG2 4.29Å |
| 335 | A | 82.5 | Confident | 77.1 | Confident | 1 Ų | 1 | 70.4 Ų | 70.4 | 1% | 0.008 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -58.6 | -40.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | V288 L291 K292 M331 R333 R341 | V288-A335 HydrophobicContact CG1-CB 4.46Å; L291-A335 HydrophobicContact CB-CB 3.77Å; K292-A335 HydrophobicContact CG-CB 3.81Å; M331-A335 WeakPolarHBondContact O-CB 3.37Å; M331-A335 PolarHBondContact O-N 2.99Å; R333-A335 VanDerWaalsContact C-N 3.34Å; R333-A335 PolarHBondContact O-N 2.92Å; A335-R341 PolarHBondContact O-NE 3.22Å; A335-R341 PolarHBondContact O-NH2 3.23Å; A335-R341 VanDerWaalsContact O-NH2 3.07Å |
| 336 | A | 78.5 | Confident | 75.9 | Confident | 59 Ų | 59 | 71.9 Ų | 71.9 | 49% | 0.488 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -67 | -50.3 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q332 R333 I334 R341 | Q332-A336 WeakPolarHBondContact O-CB 3.28Å; Q332-A336 PolarHBondContact O-N 2.93Å; R333-A336 PolarHBondContact O-N 3.22Å; R333-A336 VanDerWaalsContact O-N 3.15Å; I334-A336 VanDerWaalsContact C-N 3.28Å; I334-A336 PolarHBondContact O-N 3.39Å; A336-R341 PolarHBondContact O-NH2 3.27Å |
| 337 | T | 66 | Low | 74.9 | Confident | 121 Ų | 121 | 71.3 Ų | 71.3 | 74% | 0.742 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -140.6 | 0.4 | -166.9 | 53.6 | 0 | 0 | 0 | 0 | 116.2 | R333 | R333-T337 PolarHBondContact O-N 2.84Å; R333-T337 PolarHBondContact O-OG1 3.19Å |
| 338 | G | 60.6 | Low | 73.9 | Confident | 14 Ų | 14 | 68.8 Ų | 68.8 | 14% | 0.144 | 35% | 0.354 | C | S | . | . | trans | -78.6 | 133.6 | -172 | 0 | 0 | 0 | 0 | 0 | 114.6 | I334 F340 R341 | I334-G338 PolarHBondContact O-N 2.78Å; G338-F340 PolarHBondContact O-N 2.94Å; G338-R341 VanDerWaalsContact O-CD 3.26Å; G338-R341 WeakPolarHBondContact O-CD 3.31Å; G338-R341 VanDerWaalsContact O-CG 3.23Å; G338-R341 WeakPolarHBondContact O-CG 3.15Å; G338-R341 PolarHBondContact O-N 3Å | ||
| 339 | P | 57.8 | Low | 72.7 | Confident | 91 Ų | 91 | 71.8 Ų | 71.8 | 59% | 0.591 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.3 | -20.6 | 165 | 29.2 | -34.5 | 0 | 0 | 0 | 111.7 | R341 | P339-R341 PolarHBondContact O-N 2.98Š|
| 340 | F | 65.4 | Low | 71.2 | Confident | 123 Ų | 123 | 69 Ų | 69 | 54% | 0.539 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.3 | 3.7 | 179.6 | -55.7 | -71.9 | 0 | 0 | 0 | 114.9 | G338 T342 L343 V344 | G338-F340 PolarHBondContact O-N 2.94Å; F340-T342 VanDerWaalsContact C-N 3.33Å; F340-T342 PolarHBondContact O-N 3.14Å; F340-L343 PolarHBondContact O-N 3.46Å; F340-L343 VanDerWaalsContact O-N 3.14Å; F340-V344 HydrophobicContact CB-CG2 4.25Å; F340-V344 WeakPolarHBondContact O-CG2 3.43Å; F340-V344 PolarHBondContact O-N 3.46Å |
| 341 | R | 71 | Confident | 69.9 | Low | 78 Ų | 78 | 72 Ų | 72 | 29% | 0.294 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -49.6 | -53 | -179.3 | -74.9 | 156.4 | 175 | 175.7 | -0.3 | 112.3 | P287 V288 L291 I334 A335 A336 G338 P339 H345 | P287-R341 HydrophobicContact CB-CB 4.08Å; V288-R341 HydrophobicContact CG2-CG 4.37Å; L291-R341 HydrophobicContact CD1-CB 4.22Å; L291-R341 HydrophobicContact CD1-CG 4.13Å; I334-R341 HydrophobicContact CG2-CG 4.46Å; I334-R341 WeakPolarHBondContact O-CG 3.49Å; A335-R341 PolarHBondContact O-NE 3.22Å; A335-R341 PolarHBondContact O-NH2 3.23Å; A335-R341 VanDerWaalsContact O-NH2 3.07Å; A336-R341 PolarHBondContact O-NH2 3.27Å; G338-R341 VanDerWaalsContact O-CD 3.26Å; G338-R341 WeakPolarHBondContact O-CD 3.31Å; G338-R341 VanDerWaalsContact O-CG 3.23Å; G338-R341 WeakPolarHBondContact O-CG 3.15Å; G338-R341 PolarHBondContact O-N 3Å; P339-R341 PolarHBondContact O-N 2.98Å; R341-H345 WeakPolarHBondContact O-CB 3.46Å; R341-H345 PolarHBondContact O-N 3.08Å |
| 342 | T | 64.5 | Low | 68.1 | Low | 64 Ų | 64 | 76.6 Ų | 76.6 | 39% | 0.393 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -65.3 | -40.4 | -178.9 | -39.7 | 0 | 0 | 0 | 0 | 111.1 | F340 H345 L346 L393 | F340-T342 VanDerWaalsContact C-N 3.33Å; F340-T342 PolarHBondContact O-N 3.14Å; T342-H345 PolarHBondContact O-N 3.03Å; T342-L346 WeakPolarHBondContact O-CB 3.38Å; T342-L346 PolarHBondContact O-N 2.86Å; T342-L393 PolarHBondContact OG1-O 3.26Å |
| 343 | L | 66.2 | Low | 66.3 | Low | 94 Ų | 94 | 74.1 Ų | 74.1 | 49% | 0.492 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -68.5 | -40.5 | 179.2 | -176 | 144.1 | 0 | 0 | 0 | 112.7 | F340 L346 L347 | F340-L343 PolarHBondContact O-N 3.46Å; F340-L343 VanDerWaalsContact O-N 3.14Å; L343-L346 PolarHBondContact O-N 3.04Å; L343-L347 HydrophobicContact CD2-CD1 3.8Å; L343-L347 WeakPolarHBondContact O-CG 3.31Å; L343-L347 PolarHBondContact O-N 2.9Å |
| 344 | V | 68.4 | Low | 64.5 | Low | 27 Ų | 27 | 75.8 Ų | 75.8 | 16% | 0.164 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -72.5 | -36.8 | 176 | -178 | 0 | 0 | 0 | 0 | 110.9 | L291 M331 I334 F340 L347 I348 | L291-V344 HydrophobicContact CD2-CB 4.16Å; L291-V344 HydrophobicContact CD2-CG1 3.62Å; M331-V344 HydrophobicContact CE-CG1 4.2Å; I334-V344 HydrophobicContact CD1-CG2 4.29Å; F340-V344 HydrophobicContact CB-CG2 4.25Å; F340-V344 WeakPolarHBondContact O-CG2 3.43Å; F340-V344 PolarHBondContact O-N 3.46Å; V344-L347 PolarHBondContact O-N 2.73Å; V344-I348 HydrophobicContact CG1-CD1 4Å; V344-I348 VanDerWaalsContact O-CD1 3.31Å; V344-I348 WeakPolarHBondContact O-CD1 3.36Å; V344-I348 VanDerWaalsContact O-CG1 3.23Å; V344-I348 WeakPolarHBondContact O-CG1 3.43Å; V344-I348 PolarHBondContact O-N 3.28Å |
| 345 | H | 69.8 | Low | 62.7 | Low | 20 Ų | 20 | 79.7 Ų | 79.7 | 9% | 0.093 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -63.5 | -41 | 171.8 | -174.7 | -165.8 | 0 | 0 | 0 | 111.8 | L282 M285 P287 R341 T342 I348 L349 | L282-H345 PolarHBondContact O-NE2 3.39Å; M285-H345 PolarHBondContact O-CE1 3.15Å; P287-H345 WeakPolarHBondContact CA-ND1 3.35Å; P287-H345 HydrophobicContact CB-CB 3.91Å; P287-H345 HydrophobicContact CG-CB 4.26Å; P287-H345 VanDerWaalsContact CG-ND1 3.35Å; P287-H345 WeakPolarHBondContact CG-ND1 3.48Å; R341-H345 WeakPolarHBondContact O-CB 3.46Å; R341-H345 PolarHBondContact O-N 3.08Å; T342-H345 PolarHBondContact O-N 3.03Å; H345-I348 PolarHBondContact O-N 2.85Å; H345-L349 WeakPolarHBondContact O-CG 3.27Å; H345-L349 PolarHBondContact O-N 2.91Å |
| 346 | L | 64.5 | Low | 61 | Low | 89 Ų | 89 | 83.6 Ų | 83.6 | 47% | 0.466 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -59.2 | -47.2 | 172.3 | -166.4 | 81 | 0 | 0 | 0 | 111.4 | T342 L343 I348 L349 L350 | T342-L346 WeakPolarHBondContact O-CB 3.38Å; T342-L346 PolarHBondContact O-N 2.86Å; L343-L346 PolarHBondContact O-N 3.04Å; L346-I348 VanDerWaalsContact C-N 3.33Å; L346-I348 PolarHBondContact O-N 2.73Å; L346-L349 PolarHBondContact O-N 3.2Å; L346-L349 VanDerWaalsContact O-N 3.14Å; L346-L350 HydrophobicContact CD2-CD1 4.15Å; L346-L350 HydrophobicContact CG-CD1 3.88Å; L346-L350 WeakPolarHBondContact O-CB 3.36Å; L346-L350 VanDerWaalsContact O-CG 3.26Å; L346-L350 WeakPolarHBondContact O-CG 3.23Å; L346-L350 PolarHBondContact O-N 3.09Å |
| 347 | L | 67 | Low | 59.9 | Low | 82 Ų | 82 | 84.5 Ų | 84.5 | 43% | 0.429 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -58.9 | -42.2 | 175.3 | -73.4 | 168.1 | 0 | 0 | 0 | 112.2 | L343 V344 L349 L350 F351 | L343-L347 HydrophobicContact CD2-CD1 3.8Å; L343-L347 WeakPolarHBondContact O-CG 3.31Å; L343-L347 PolarHBondContact O-N 2.9Å; V344-L347 PolarHBondContact O-N 2.73Å; L347-L349 VanDerWaalsContact C-N 3.3Å; L347-L349 PolarHBondContact O-N 3.47Å; L347-L350 PolarHBondContact O-N 3.39Å; L347-F351 WeakPolarHBondContact O-CB 3.27Å; L347-F351 PolarHBondContact O-N 3.2Å |
| 348 | I | 67.8 | Low | 59.2 | Low | 41 Ų | 41 | 84.8 Ų | 84.8 | 21% | 0.21 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -61.8 | -37.1 | 175.9 | -69.2 | 155.8 | 0 | 0 | 0 | 111.8 | L282 V290 L291 L294 M331 V344 H345 L346 | L282-I348 HydrophobicContact CD2-CG2 4.38Å; V290-I348 HydrophobicContact CG1-CD1 4.14Å; V290-I348 HydrophobicContact CG1-CG2 4.47Å; L291-I348 HydrophobicContact CD2-CD1 3.92Å; L294-I348 HydrophobicContact CD1-CD1 3.37Å; L294-I348 HydrophobicContact CD1-CG1 4.12Å; M331-I348 HydrophobicContact CE-CD1 4.17Å; V344-I348 HydrophobicContact CG1-CD1 4Å; V344-I348 VanDerWaalsContact O-CD1 3.31Å; V344-I348 WeakPolarHBondContact O-CD1 3.36Å; V344-I348 VanDerWaalsContact O-CG1 3.23Å; V344-I348 WeakPolarHBondContact O-CG1 3.43Å; V344-I348 PolarHBondContact O-N 3.28Å; H345-I348 PolarHBondContact O-N 2.85Å; L346-I348 VanDerWaalsContact C-N 3.33Å; L346-I348 PolarHBondContact O-N 2.73Å |
| 349 | L | 63.6 | Low | 58.9 | Low | 66 Ų | 66 | 91.8 Ų | 91.8 | 35% | 0.346 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -72.8 | -33.6 | 176.7 | -68.8 | 168.1 | 0 | 0 | 0 | 112.5 | L282 K283 H345 L346 L347 | L282-L349 HydrophobicContact CB-CD2 4.26Å; K283-L349 HydrophobicContact CG-CD2 4.32Å; H345-L349 WeakPolarHBondContact O-CG 3.27Å; H345-L349 PolarHBondContact O-N 2.91Å; L346-L349 PolarHBondContact O-N 3.2Å; L346-L349 VanDerWaalsContact O-N 3.14Å; L347-L349 VanDerWaalsContact C-N 3.3Å; L347-L349 PolarHBondContact O-N 3.47Å |
| 350 | L | 58 | Low | 58.9 | Low | 44 Ų | 44 | 93 Ų | 93 | 23% | 0.23 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -79.7 | -26.9 | 179.3 | -69.3 | 165.9 | 0 | 0 | 0 | 113.7 | L346 L347 N352 T353 M356 L361 | L346-L350 HydrophobicContact CD2-CD1 4.15Å; L346-L350 HydrophobicContact CG-CD1 3.88Å; L346-L350 WeakPolarHBondContact O-CB 3.36Å; L346-L350 VanDerWaalsContact O-CG 3.26Å; L346-L350 WeakPolarHBondContact O-CG 3.23Å; L346-L350 PolarHBondContact O-N 3.09Å; L347-L350 PolarHBondContact O-N 3.39Å; L350-N352 PolarHBondContact O-N 3.42Å; L350-T353 PolarHBondContact O-N 3.17Å; L350-T353 PolarHBondContact O-OG1 2.9Å; L350-T353 VanDerWaalsContact O-OG1 3.06Å; L350-M356 HydrophobicContact CD2-SD 3.72Å; L350-L361 HydrophobicContact CD1-CD2 3.6Å; L350-L361 HydrophobicContact CD2-CD1 4.16Å; L350-L361 HydrophobicContact CD2-CD2 4.04Å; L350-L361 HydrophobicContact CG-CD2 4.49Å |
| 351 | F | 56.7 | Low | 58 | Low | 181 Ų | 181 | 89 Ų | 89 | 79% | 0.794 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68 | 1.2 | -174.6 | -117 | -86.7 | 0 | 0 | 0 | 115.2 | L347 | L347-F351 WeakPolarHBondContact O-CB 3.27Å; L347-F351 PolarHBondContact O-N 3.2Å |
| 352 | N | 50.2 | Low | 57.1 | Low | 103 Ų | 103 | 90.3 Ų | 90.3 | 55% | 0.551 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -140 | 34.4 | -175.4 | -154.5 | -35.7 | 0 | 0 | 0 | 112.2 | K279 L350 | K279-N352 PolarHBondContact NZ-O 3.44Å; K279-N352 PolarHBondContact NZ-OD1 2.83Å; K279-N352 VanDerWaalsContact NZ-OD1 3.16Å; L350-N352 PolarHBondContact O-N 3.42Å |
| 353 | T | 49.2 | Very low | 56.8 | Low | 72 Ų | 72 | 91.6 Ų | 91.6 | 44% | 0.442 | 47% | 0.472 | S | S | . | . | trans | -122.2 | 107.6 | 169 | 50.4 | 0 | 0 | 0 | 0 | 109.4 | L350 S355 | L350-T353 PolarHBondContact O-N 3.17Å; L350-T353 PolarHBondContact O-OG1 2.9Å; L350-T353 VanDerWaalsContact O-OG1 3.06Å; T353-S355 PolarHBondContact O-N 2.88Å | ||
| 354 | E | 46.1 | Very low | 56 | Low | 200 Ų | 200 | 92.5 Ų | 92.5 | 94% | 0.935 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.6 | 2.5 | -167.3 | -63.3 | 170.4 | 131.4 | 0 | 0 | 115.1 | ||
| 355 | S | 42.7 | Very low | 55.1 | Low | 103 Ų | 103 | 94.7 Ų | 94.7 | 72% | 0.72 | 49% | 0.487 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -146.1 | 20.7 | -167.8 | 71.5 | 0 | 0 | 0 | 0 | 115.8 | T353 | T353-S355 PolarHBondContact O-N 2.88Š|
| 356 | M | 47.6 | Very low | 54.4 | Low | 83 Ų | 83 | 96.7 Ų | 96.7 | 41% | 0.409 | 50% | 0.501 | S | S | . | . | trans | -98.7 | 111.7 | -177.9 | -158.7 | 174 | -166.3 | 0 | 0 | 113.1 | L350 I358 L361 | L350-M356 HydrophobicContact CD2-SD 3.72Å; M356-I358 PolarHBondContact O-N 3.38Å; M356-L361 HydrophobicContact CE-CB 4.19Å; M356-L361 HydrophobicContact CE-CD1 3.67Å; M356-L361 HydrophobicContact SD-CD1 4.08Å | ||
| 357 | N | 54 | Low | 53.6 | Low | 78 Ų | 78 | 94.5 Ų | 94.5 | 42% | 0.417 | 49% | 0.493 | S | S | . | . | trans | -68.1 | 118.5 | 177.1 | 177.5 | -0.2 | 0 | 0 | 0 | 111.5 | K359 E360 L361 | N357-K359 PolarHBondContact O-N 2.81Å; N357-K359 VanDerWaalsContact O-N 3.09Å; N357-K359 WeakPolarHBondContact OD1-CB 3.5Å; N357-K359 PolarHBondContact OD1-N 2.92Å; N357-E360 HydrophobicContact CB-CB 4.12Å; N357-E360 HydrophobicContact CB-CG 4.22Å; N357-E360 WeakPolarHBondContact CB-OE2 3.49Å; N357-E360 PolarHBondContact ND2-OE2 3.46Å; N357-E360 PolarHBondContact O-N 3.15Å; N357-L361 PolarHBondContact O-N 3.39Å | ||
| 358 | I | 51.3 | Low | 52.5 | Low | 127 Ų | 127 | 94 Ų | 94 | 65% | 0.651 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -53.8 | -33.1 | 178.3 | -65.5 | 172.9 | 0 | 0 | 0 | 111.8 | M356 L362 | M356-I358 PolarHBondContact O-N 3.38Å; I358-L362 HydrophobicContact CG2-CD1 4.01Å; I358-L362 WeakPolarHBondContact O-CB 3.42Å; I358-L362 WeakPolarHBondContact O-CG 3.46Å; I358-L362 PolarHBondContact O-N 2.78Å |
| 359 | K | 55.9 | Low | 51.4 | Low | 162 Ų | 162 | 95.1 Ų | 95.1 | 70% | 0.704 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -71.5 | -33.1 | 179.1 | -153 | 175.4 | -173.7 | 178.4 | 0 | 112.1 | N357 T363 | N357-K359 PolarHBondContact O-N 2.81Å; N357-K359 VanDerWaalsContact O-N 3.09Å; N357-K359 WeakPolarHBondContact OD1-CB 3.5Å; N357-K359 PolarHBondContact OD1-N 2.92Å; K359-T363 VanDerWaalsContact O-CB 3.23Å; K359-T363 WeakPolarHBondContact O-CB 3.3Å; K359-T363 PolarHBondContact O-N 2.7Å; K359-T363 PolarHBondContact O-OG1 3.39Å |
| 360 | E | 56.7 | Low | 50.3 | Low | 115 Ų | 115 | 99.6 Ų | 99.6 | 54% | 0.537 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -77.6 | -39.6 | 173.3 | -74.4 | 174.2 | 110.1 | 0 | 0 | 111.6 | N357 L362 T363 Q364 | N357-E360 HydrophobicContact CB-CB 4.12Å; N357-E360 HydrophobicContact CB-CG 4.22Å; N357-E360 WeakPolarHBondContact CB-OE2 3.49Å; N357-E360 PolarHBondContact ND2-OE2 3.46Å; N357-E360 PolarHBondContact O-N 3.15Å; E360-L362 PolarHBondContact O-N 2.91Å; E360-T363 CarbonylContact O-C 3.29Å; E360-T363 PolarHBondContact O-N 3.49Å; E360-T363 VanDerWaalsContact O-N 3.16Å; E360-Q364 WeakPolarHBondContact O-CB 3.33Å; E360-Q364 WeakPolarHBondContact O-CG 3.45Å; E360-Q364 PolarHBondContact O-N 2.98Å |
| 361 | L | 47.2 | Very low | 49.5 | Very low | 40 Ų | 40 | 104.4 Ų | 104.4 | 21% | 0.209 | 54% | 0.536 | C | S | . | . | H | α-helix | trans | -58.1 | -49.4 | 172.2 | 179.8 | 71.3 | 0 | 0 | 0 | 111.3 | L350 M356 N357 T363 Q364 V365 | L350-L361 HydrophobicContact CD1-CD2 3.6Å; L350-L361 HydrophobicContact CD2-CD1 4.16Å; L350-L361 HydrophobicContact CD2-CD2 4.04Å; L350-L361 HydrophobicContact CG-CD2 4.49Å; M356-L361 HydrophobicContact CE-CB 4.19Å; M356-L361 HydrophobicContact CE-CD1 3.67Å; M356-L361 HydrophobicContact SD-CD1 4.08Å; N357-L361 PolarHBondContact O-N 3.39Å; L361-T363 VanDerWaalsContact C-N 3.3Å; L361-T363 PolarHBondContact O-N 3.08Å; L361-Q364 PolarHBondContact O-N 2.78Å; L361-V365 WeakPolarHBondContact O-CG2 3.4Å; L361-V365 PolarHBondContact O-N 3.07Å |
| 362 | L | 51.6 | Low | 48.6 | Very low | 106 Ų | 106 | 99 Ų | 99 | 56% | 0.555 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -61.3 | -39.5 | 174.9 | -78.6 | 168.7 | 0 | 0 | 0 | 111.7 | I358 E360 V366 | I358-L362 HydrophobicContact CG2-CD1 4.01Å; I358-L362 WeakPolarHBondContact O-CB 3.42Å; I358-L362 WeakPolarHBondContact O-CG 3.46Å; I358-L362 PolarHBondContact O-N 2.78Å; E360-L362 PolarHBondContact O-N 2.91Å; L362-V366 VanDerWaalsContact O-CB 3.24Å; L362-V366 WeakPolarHBondContact O-CB 3.36Å; L362-V366 WeakPolarHBondContact O-CG2 3.48Å; L362-V366 PolarHBondContact O-N 3.49Å |
| 363 | T | 57.7 | Low | 48 | Very low | 90 Ų | 90 | 99.5 Ų | 99.5 | 55% | 0.552 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -67.7 | -39.7 | 177.4 | -62.5 | 0 | 0 | 0 | 0 | 111.6 | K359 E360 L361 S367 | K359-T363 VanDerWaalsContact O-CB 3.23Å; K359-T363 WeakPolarHBondContact O-CB 3.3Å; K359-T363 PolarHBondContact O-N 2.7Å; K359-T363 PolarHBondContact O-OG1 3.39Å; E360-T363 CarbonylContact O-C 3.29Å; E360-T363 PolarHBondContact O-N 3.49Å; E360-T363 VanDerWaalsContact O-N 3.16Å; L361-T363 VanDerWaalsContact C-N 3.3Å; L361-T363 PolarHBondContact O-N 3.08Å; T363-S367 WeakPolarHBondContact O-CA 3.21Å; T363-S367 WeakPolarHBondContact O-CB 3.5Å; T363-S367 PolarHBondContact O-N 3.18Å; T363-S367 PolarHBondContact O-OG 3.44Å |
| 364 | Q | 51 | Low | 47.5 | Very low | 113 Ų | 113 | 106 Ų | 106 | 53% | 0.528 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -63.4 | -52.6 | 175.2 | -78.9 | -178.3 | -12.5 | 0 | 0 | 110.5 | E360 L361 V366 S367 S368 | E360-Q364 WeakPolarHBondContact O-CB 3.33Å; E360-Q364 WeakPolarHBondContact O-CG 3.45Å; E360-Q364 PolarHBondContact O-N 2.98Å; L361-Q364 PolarHBondContact O-N 2.78Å; Q364-V366 PolarHBondContact O-N 3.12Å; Q364-S367 WeakPolarHBondContact CA-OG 3.26Å; Q364-S367 CarbonylContact O-C 3.58Å; Q364-S367 WeakPolarHBondContact O-CA 3.35Å; Q364-S367 PolarHBondContact O-N 3.07Å; Q364-S367 PolarHBondContact O-OG 3.41Å; Q364-S368 PolarHBondContact O-N 2.89Å; Q364-S368 PolarHBondContact O-OG 2.93Å |
| 365 | V | 48 | Very low | 47.1 | Very low | 74 Ų | 74 | 102.7 Ų | 102.7 | 45% | 0.448 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -60.1 | -42.3 | 177.8 | 172.9 | 0 | 0 | 0 | 0 | 112 | L361 S367 S368 V369 | L361-V365 WeakPolarHBondContact O-CG2 3.4Å; L361-V365 PolarHBondContact O-N 3.07Å; V365-S367 VanDerWaalsContact C-N 3.33Å; V365-S368 PolarHBondContact O-OG 3.05Å; V365-V369 WeakPolarHBondContact O-CG2 3.24Å; V365-V369 PolarHBondContact O-N 3.15Å |
| 366 | V | 54.8 | Low | 46.6 | Very low | 62 Ų | 62 | 104.5 Ų | 104.5 | 38% | 0.376 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -70.5 | -29.4 | 174.7 | 171.6 | 0 | 0 | 0 | 0 | 111.6 | L362 Q364 R370 | L362-V366 VanDerWaalsContact O-CB 3.24Å; L362-V366 WeakPolarHBondContact O-CB 3.36Å; L362-V366 WeakPolarHBondContact O-CG2 3.48Å; L362-V366 PolarHBondContact O-N 3.49Å; Q364-V366 PolarHBondContact O-N 3.12Å; V366-R370 HydrophobicContact CG1-CG 4.47Å; V366-R370 VanDerWaalsContact O-CB 3.28Å; V366-R370 WeakPolarHBondContact O-CB 3.47Å; V366-R370 WeakPolarHBondContact O-CG 3.16Å; V366-R370 PolarHBondContact O-N 3.32Å |
| 367 | S | 49.5 | Very low | 45.9 | Very low | 43 Ų | 43 | 109.7 Ų | 109.7 | 30% | 0.301 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -79.3 | -29.4 | 177.6 | 79.1 | 0 | 0 | 0 | 0 | 114 | T363 Q364 V365 R370 K371 | T363-S367 WeakPolarHBondContact O-CA 3.21Å; T363-S367 WeakPolarHBondContact O-CB 3.5Å; T363-S367 PolarHBondContact O-N 3.18Å; T363-S367 PolarHBondContact O-OG 3.44Å; Q364-S367 WeakPolarHBondContact CA-OG 3.26Å; Q364-S367 CarbonylContact O-C 3.58Å; Q364-S367 WeakPolarHBondContact O-CA 3.35Å; Q364-S367 PolarHBondContact O-N 3.07Å; Q364-S367 PolarHBondContact O-OG 3.41Å; V365-S367 VanDerWaalsContact C-N 3.33Å; S367-R370 CarbonylContact O-C 3.57Å; S367-K371 VanDerWaalsContact O-CB 3.29Å; S367-K371 WeakPolarHBondContact O-CB 3.47Å; S367-K371 WeakPolarHBondContact O-CG 3.25Å; S367-K371 PolarHBondContact O-N 2.85Å |
| 368 | S | 44 | Very low | 44.8 | Very low | 70 Ų | 70 | 112 Ų | 112 | 49% | 0.49 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -72 | -43.6 | 173.7 | 54.1 | 0 | 0 | 0 | 0 | 110.3 | Q364 V365 R370 K371 A372 | Q364-S368 PolarHBondContact O-N 2.89Å; Q364-S368 PolarHBondContact O-OG 2.93Å; V365-S368 PolarHBondContact O-OG 3.05Å; S368-R370 PolarHBondContact O-N 2.95Å; S368-K371 PolarHBondContact O-N 3.3Å; S368-K371 VanDerWaalsContact O-N 3.1Å; S368-A372 PolarHBondContact O-N 2.94Å; S368-A372 VanDerWaalsContact O-N 3.07Å |
| 369 | V | 44.1 | Very low | 43.9 | Very low | 66 Ų | 66 | 110.7 Ų | 110.7 | 40% | 0.4 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -54.9 | -52.9 | 168.3 | 173.4 | 0 | 0 | 0 | 0 | 110.5 | V365 K371 A372 D373 | V365-V369 WeakPolarHBondContact O-CG2 3.24Å; V365-V369 PolarHBondContact O-N 3.15Å; V369-K371 PolarHBondContact O-N 2.93Å; V369-K371 VanDerWaalsContact O-N 3.08Å; V369-A372 WeakPolarHBondContact O-CB 3.42Å; V369-A372 PolarHBondContact O-N 2.86Å; V369-A372 VanDerWaalsContact O-N 3.14Å; V369-D373 PolarHBondContact O-N 3.01Å |
| 370 | R | 41.1 | Very low | 42.7 | Very low | 160 Ų | 160 | 107.9 Ų | 107.9 | 60% | 0.604 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -70.3 | -1 | 177.7 | -70.9 | 175.1 | 177.3 | 175.6 | -0.3 | 115.6 | V366 S367 S368 R374 | V366-R370 HydrophobicContact CG1-CG 4.47Å; V366-R370 VanDerWaalsContact O-CB 3.28Å; V366-R370 WeakPolarHBondContact O-CB 3.47Å; V366-R370 WeakPolarHBondContact O-CG 3.16Å; V366-R370 PolarHBondContact O-N 3.32Å; S367-R370 CarbonylContact O-C 3.57Å; S368-R370 PolarHBondContact O-N 2.95Å; R370-R374 WeakPolarHBondContact O-CD 3.4Å; R370-R374 WeakPolarHBondContact O-CG 3.48Å |
| 371 | K | 40.4 | Very low | 41.4 | Very low | 144 Ų | 144 | 111.2 Ų | 111.2 | 63% | 0.626 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -99.8 | -29.2 | 171.1 | -83.4 | 171.9 | 177.8 | 179.3 | 0 | 111.8 | S367 S368 V369 D373 R374 | S367-K371 VanDerWaalsContact O-CB 3.29Å; S367-K371 WeakPolarHBondContact O-CB 3.47Å; S367-K371 WeakPolarHBondContact O-CG 3.25Å; S367-K371 PolarHBondContact O-N 2.85Å; S368-K371 PolarHBondContact O-N 3.3Å; S368-K371 VanDerWaalsContact O-N 3.1Å; V369-K371 PolarHBondContact O-N 2.93Å; V369-K371 VanDerWaalsContact O-N 3.08Å; K371-D373 VanDerWaalsContact C-N 3.3Å; K371-R374 PolarHBondContact O-N 3.14Å |
| 372 | A | 38.5 | Very low | 40.6 | Very low | 68 Ų | 68 | 114.4 Ų | 114.4 | 56% | 0.562 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -59.5 | -44.9 | 164.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | S368 V369 R374 V375 | S368-A372 PolarHBondContact O-N 2.94Å; S368-A372 VanDerWaalsContact O-N 3.07Å; V369-A372 WeakPolarHBondContact O-CB 3.42Å; V369-A372 PolarHBondContact O-N 2.86Å; V369-A372 VanDerWaalsContact O-N 3.14Å; A372-R374 PolarHBondContact O-N 3.09Å; A372-V375 PolarHBondContact O-N 3.32Å |
| 373 | D | 36.1 | Very low | 39.6 | Very low | 114 Ų | 114 | 115.4 Ų | 115.4 | 61% | 0.61 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.7 | 5.9 | 173.5 | -63.7 | -29.6 | 0 | 0 | 0 | 115.4 | V369 K371 | V369-D373 PolarHBondContact O-N 3.01Å; K371-D373 VanDerWaalsContact C-N 3.3Å |
| 374 | R | 38.5 | Very low | 38.3 | Very low | 207 Ų | 207 | 116.4 Ų | 116.4 | 78% | 0.781 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -132.2 | 5.1 | -173.6 | -69 | -174.7 | 176.6 | -154.1 | -4.5 | 115.5 | R370 K371 A372 | R370-R374 WeakPolarHBondContact O-CD 3.4Å; R370-R374 WeakPolarHBondContact O-CG 3.48Å; K371-R374 PolarHBondContact O-N 3.14Å; A372-R374 PolarHBondContact O-N 3.09Å |
| 375 | V | 37.8 | Very low | 37.3 | Very low | 132 Ų | 132 | 115.5 Ų | 115.5 | 80% | 0.8 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.1 | -9.4 | 169.1 | -175.6 | 0 | 0 | 0 | 0 | 111.3 | A372 | A372-V375 PolarHBondContact O-N 3.32Š|
| 376 | L | 32.5 | Very low | 36.5 | Very low | 141 Ų | 141 | 119 Ų | 119 | 74% | 0.738 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -120.1 | 75.3 | 176 | -74.5 | 166.9 | 0 | 0 | 0 | 111.4 | ||
| 377 | E | 32.4 | Very low | 35.2 | Very low | 192 Ų | 192 | 123.3 Ų | 123.3 | 90% | 0.897 | 70% | 0.698 | S | S | * | * | trans | -178.9 | 88.8 | 141 | -105.1 | -178.9 | -161.6 | 0 | 0 | 111.8 | ||||
| 378 | S | 31.3 | Very low | 34.2 | Very low | 126 Ų | 126 | 131.4 Ų | 131.4 | 88% | 0.881 | 72% | 0.722 | S | S | * | * | S | Bend | trans | -137.3 | 34.7 | 164.1 | 74 | 0 | 0 | 0 | 0 | 112 | ||
| 379 | S | 32.6 | Very low | 33.4 | Very low | 100 Ų | 100 | 137.1 Ų | 137.1 | 70% | 0.699 | 74% | 0.741 | S | S | * | * | S | Bend | trans | -156.3 | 96.7 | -177.4 | 56.3 | 0 | 0 | 0 | 0 | 113.6 | ||
| 380 | S | 30.2 | Very low | 32.6 | Very low | 103 Ų | 103 | 141 Ų | 141 | 72% | 0.72 | 76% | 0.759 | S | S | * | * | trans | 22 | 120.9 | 146 | 58.5 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 381 | Q | 31.1 | Very low | 32.1 | Very low | 185 Ų | 185 | 139.8 Ų | 139.8 | 86% | 0.864 | 76% | 0.763 | S | S | * | * | trans | 72.5 | 118 | 136.5 | -64.3 | -177.6 | -11.4 | 0 | 0 | 121.5 | ||||
| 382 | S | 29.6 | Very low | 31.8 | Very low | 106 Ų | 106 | 137.4 Ų | 137.4 | 74% | 0.741 | 76% | 0.756 | S | S | * | * | trans | 88.4 | 130.3 | 134.2 | 67.1 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 383 | T | 31.2 | Very low | 31.5 | Very low | 127 Ų | 127 | 139.9 Ų | 139.9 | 78% | 0.779 | 76% | 0.76 | S | S | * | * | trans | 73.1 | 100 | 149 | 43.7 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 384 | S | 29.9 | Very low | 31.4 | Very low | 112 Ų | 112 | 139.4 Ų | 139.4 | 78% | 0.783 | 76% | 0.761 | S | S | * | * | 73.7 | 124.5 | 124.5 | 65.2 | 0 | 0 | 0 | 0 | 123 | |||||
| 385 | A | 29.7 | Very low | 30.9 | Very low | 93 Ų | 93 | 133.4 Ų | 133.4 | 77% | 0.769 | 76% | 0.756 | S | S | * | * | trans | 75.8 | 133.1 | 145.2 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 386 | D | 30.7 | Very low | 30.8 | Very low | 148 Ų | 148 | 131.8 Ų | 131.8 | 79% | 0.791 | 74% | 0.742 | S | S | * | * | trans | 29.7 | 96 | 157.9 | -60.1 | -18.9 | 0 | 0 | 0 | 118.4 | ||||
| 387 | N | 27.8 | Very low | 31 | Very low | 152 Ų | 152 | 129.5 Ų | 129.5 | 81% | 0.813 | 74% | 0.736 | S | S | * | * | -162.6 | 158.7 | 112.4 | -107.1 | -67.2 | 0 | 0 | 0 | 114.7 | |||||
| 388 | R | 28.1 | Very low | 30.9 | Very low | 214 Ų | 214 | 127.2 Ų | 127.2 | 81% | 0.808 | 73% | 0.73 | S | S | * | * | trans | -64 | 145.3 | -175.1 | -51.4 | 145.8 | -179.8 | 171.7 | -0.3 | 112.8 | ||||
| 389 | E | 27.4 | Very low | 31 | Very low | 190 Ų | 190 | 128.4 Ų | 128.4 | 89% | 0.888 | 73% | 0.727 | S | S | * | * | -121.7 | 118.3 | 127.9 | -71.5 | -159.4 | 145.6 | 0 | 0 | 108.6 | |||||
| 390 | L | 27.6 | Very low | 31 | Very low | 148 Ų | 148 | 131.9 Ų | 131.9 | 78% | 0.775 | 73% | 0.732 | S | S | * | * | trans | -100.2 | 123.5 | 173.2 | -150.7 | 94.9 | 0 | 0 | 0 | 105.9 | D392 | L390-D392 VanDerWaalsContact C-N 3.34Å; L390-D392 PolarHBondContact O-N 2.93Å | ||
| 391 | I | 30.4 | Very low | 31.1 | Very low | 134 Ų | 134 | 134.3 Ų | 134.3 | 69% | 0.687 | 74% | 0.736 | S | S | * | * | trans | -70 | 97.5 | 172.2 | -61.1 | -179.8 | 0 | 0 | 0 | 107.6 | L393 | I391-L393 PolarHBondContact O-N 2.72Š| ||
| 392 | D | 34.5 | Very low | 30.9 | Very low | 93 Ų | 93 | 131.2 Ų | 131.2 | 50% | 0.497 | 73% | 0.733 | S | S | . | * | trans | -78.4 | 105.2 | -176.6 | -169.1 | -17.5 | 0 | 0 | 0 | 110.5 | L390 T394 A395 | L390-D392 VanDerWaalsContact C-N 3.34Å; L390-D392 PolarHBondContact O-N 2.93Å; D392-T394 VanDerWaalsContact CG-OG1 3.25Å; D392-T394 PolarHBondContact O-N 2.91Å; D392-T394 VanDerWaalsContact OD1-CB 3.27Å; D392-T394 WeakPolarHBondContact OD1-CB 3.37Å; D392-T394 WeakPolarHBondContact OD1-CG2 3.41Å; D392-T394 PolarHBondContact OD1-N 2.68Å; D392-T394 PolarHBondContact OD1-OG1 3.19Å; D392-T394 PolarHBondContact OD2-OG1 2.92Å; D392-A395 PolarHBondContact O-N 3.37Å | ||
| 393 | L | 32.3 | Very low | 31 | Very low | 120 Ų | 120 | 134.1 Ų | 134.1 | 63% | 0.628 | 74% | 0.735 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.5 | 7.3 | 177.4 | -64.3 | 175.4 | 0 | 0 | 0 | 114 | T342 I391 | T342-L393 PolarHBondContact OG1-O 3.26Å; I391-L393 PolarHBondContact O-N 2.72Å |
| 394 | T | 33.5 | Very low | 30.8 | Very low | 104 Ų | 104 | 135.2 Ų | 135.2 | 64% | 0.638 | 74% | 0.735 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.4 | 3.2 | 176.9 | 74.1 | 0 | 0 | 0 | 0 | 114.9 | D392 | D392-T394 VanDerWaalsContact CG-OG1 3.25Å; D392-T394 PolarHBondContact O-N 2.91Å; D392-T394 VanDerWaalsContact OD1-CB 3.27Å; D392-T394 WeakPolarHBondContact OD1-CB 3.37Å; D392-T394 WeakPolarHBondContact OD1-CG2 3.41Å; D392-T394 PolarHBondContact OD1-N 2.68Å; D392-T394 PolarHBondContact OD1-OG1 3.19Å; D392-T394 PolarHBondContact OD2-OG1 2.92Å |
| 395 | A | 29.1 | Very low | 31 | Very low | 81 Ų | 81 | 133.3 Ų | 133.3 | 67% | 0.669 | 72% | 0.721 | S | S | * | * | trans | -93.7 | 138.4 | 178 | 0 | 0 | 0 | 0 | 0 | 115 | D392 | D392-A395 PolarHBondContact O-N 3.37Š| ||
| 396 | D | 35.3 | Very low | 31.3 | Very low | 98 Ų | 98 | 134 Ų | 134 | 52% | 0.524 | 72% | 0.718 | S | S | . | * | trans | -93 | 166.1 | 162.1 | -93.3 | -60.6 | 0 | 0 | 0 | 108.8 | K286 | K286-D396 IonicContact NZ-OD1 3.91Å; K286-D396 PolarHBondContact NZ-OD1 2.84Å; K286-D396 IonicContact NZ-OD2 3.7Å; K286-D396 PolarHBondContact NZ-OD2 2.96Å | ||
| 397 | P | 37.4 | Very low | 31.4 | Very low | 94 Ų | 94 | 135.8 Ų | 135.8 | 61% | 0.61 | 72% | 0.719 | S | S | * | * | cis | -144.4 | -168.1 | -3.7 | 44.4 | -24.6 | 0 | 0 | 0 | 116.8 | ||||
| 398 | D | 29.9 | Very low | 31.7 | Very low | 144 Ų | 144 | 135.2 Ų | 135.2 | 77% | 0.77 | 72% | 0.715 | S | S | * | * | trans | 69.4 | 149 | 144.1 | -56.6 | -27.2 | 0 | 0 | 0 | 126.1 | ||||
| 399 | D | 31.9 | Very low | 31.8 | Very low | 151 Ų | 151 | 130 Ų | 130 | 81% | 0.807 | 70% | 0.703 | S | S | * | * | trans | 78.8 | 94.2 | 159.4 | -59.9 | -12.1 | 0 | 0 | 0 | 127 | ||||
| 400 | E | 34.6 | Very low | 32.1 | Very low | 172 Ų | 172 | 124.8 Ų | 124.8 | 80% | 0.804 | 68% | 0.682 | S | S | * | * | 65.1 | 119.3 | 129.4 | -55.5 | -152.3 | 135.9 | 0 | 0 | 130.5 | |||||
| 401 | L | 31.2 | Very low | 32.2 | Very low | 154.5 Ų | 154.5 | 120.2 Ų | 120.2 | 81% | 0.809 | 66% | 0.664 | S | S | * | * | trans | 115.3 | 143.1 | 142 | -72.2 | 165.2 | 0 | 0 | 0 | 117.4 | ||||
| 402 | C | 27.9 | Very low | 32.2 | Very low | 120 Ų | 120 | 117.5 Ų | 117.5 | 81% | 0.811 | 65% | 0.651 | S | S | * | * | -160.8 | 156.1 | 77.1 | -128.7 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 403 | E | 30.2 | Very low | 32 | Very low | 166 Ų | 166 | 116.3 Ų | 116.3 | 78% | 0.776 | 65% | 0.647 | S | S | * | * | trans | -115.8 | 0 | -170.3 | -64.4 | -178.9 | 155.6 | 0 | 0 | 115.6 | N963 | E403-N963 PolarHBondContact OE2-ND2 3.36Š| ||
| 404 | I | 28.1 | Very low | 31.9 | Very low | 151.5 Ų | 151.5 | 114 Ų | 114 | 78% | 0.777 | 64% | 0.638 | S | S | * | * | 0 | 0 | 0 | -65.8 | 172.7 | 0 | 0 | 0 | 116.3 | T962 | I404-T962 VanDerWaalsContact C-OG1 3.29Š| |||
| 405 | S | 32.8 | Very low | 31.9 | Very low | 70.5 Ų | 70.5 | 113.1 Ų | 113.1 | 49% | 0.493 | 63% | 0.625 | S | S | . | * | 0 | 0 | 0 | 95.9 | 0 | 0 | 0 | 0 | 117.1 | N961 T962 | S405-N961 VanDerWaalsContact C-C 3.46Å; S405-N961 CarbonylContact C-O 3.57Å; S405-N961 VanDerWaalsContact CB-O 3.26Å; S405-N961 WeakPolarHBondContact CB-O 3.44Å; S405-N961 CarbonylContact O-C 3.6Å; S405-N961 PolarHBondContact OG-N 3.22Å; S405-N961 PolarHBondContact OG-O 3.26Å; S405-T962 PolarHBondContact N-OG1 3.4Å; S405-T962 CarbonylContact O-C 3.54Å; S405-T962 VanDerWaalsContact O-C 3.24Å; S405-T962 PolarHBondContact O-N 2.86Å; S405-T962 VanDerWaalsContact O-O 3.1Å; S405-T962 PolarHBondContact OG-N 3.36Å | |||
| 406 | P | 35.9 | Very low | 32.2 | Very low | 108.5 Ų | 108.5 | 114.1 Ų | 114.1 | 71% | 0.705 | 61% | 0.612 | S | S | * | * | 0 | 0 | 0 | 40.1 | -26.1 | 0 | 0 | 0 | 119.4 | N961 | P406-N961 WeakPolarHBondContact CA-O 3.18Š| |||
| 407 | K | 34.3 | Very low | 32.4 | Very low | 186.5 Ų | 186.5 | 111.2 Ų | 111.2 | 81% | 0.811 | 60% | 0.598 | S | S | * | * | 0 | 0 | 0 | -114 | -172.5 | 178.4 | -179.6 | 0 | 117.2 | |||||
| 408 | L | 32.6 | Very low | 33.1 | Very low | 138.5 Ų | 138.5 | 112.6 Ų | 112.6 | 73% | 0.725 | 60% | 0.595 | S | S | * | * | 0 | 0 | 0 | -120.9 | 63.6 | 0 | 0 | 0 | 117.1 | |||||
| 409 | D | 31.3 | Very low | 34.7 | Very low | 105.5 Ų | 105.5 | 108.4 Ų | 108.4 | 56% | 0.564 | 57% | 0.572 | S | S | * | * | 0 | 0 | 0 | -87.8 | -18.8 | 0 | 0 | 0 | 111.7 | T1098 E1099 H1100 D1101 | D409-T1098 CarbonylContact O-C 3.56Å; D409-T1098 WeakPolarHBondContact O-CA 3.32Å; D409-T1098 WeakPolarHBondContact O-CB 3.15Å; D409-T1098 PolarHBondContact O-N 3.24Å; D409-T1098 PolarHBondContact O-OG1 2.92Å; D409-E1099 PolarHBondContact O-N 2.83Å; D409-E1099 VanDerWaalsContact O-N 3.15Å; D409-H1100 HydrophobicContact CB-CB 4.2Å; D409-H1100 WeakPolarHBondContact OD1-CB 3.39Å; D409-H1100 IonicContact OD1-CD2 3.05Å; D409-H1100 PolarHBondContact OD1-CD2 2.85Å; D409-H1100 VanDerWaalsContact OD1-CD2 3.23Å; D409-H1100 IonicContact OD1-CG 3.26Å; D409-D1101 WeakPolarHBondContact CB-OD2 3.26Å | |||
| 410 | D | 32.3 | Very low | 36.4 | Very low | 81 Ų | 81 | 105.4 Ų | 105.4 | 43% | 0.433 | 56% | 0.559 | S | S | . | * | 0 | 0 | 0 | -121.3 | -10.8 | 0 | 0 | 0 | 121 | F1097 T1098 D1101 M1102 F1145 | D410-F1097 VanDerWaalsContact C-CB 3.48Å; D410-F1097 VanDerWaalsContact C-CG 3.47Å; D410-F1097 HydrophobicContact CB-CB 4.48Å; D410-F1097 WeakPolarHBondContact O-CD1 3.28Å; D410-F1097 VanDerWaalsContact OD1-CB 3.31Å; D410-F1097 WeakPolarHBondContact OD1-CB 3.45Å; D410-T1098 VanDerWaalsContact CA-N 3.3Å; D410-D1101 VanDerWaalsContact N-N 3.15Å; D410-D1101 PolarHBondContact N-OD2 2.61Å; D410-D1101 CarbonylContact O-C 3.55Å; D410-D1101 WeakPolarHBondContact O-CA 3.31Å; D410-D1101 WeakPolarHBondContact O-CB 3.16Å; D410-M1102 VanDerWaalsContact C-N 3.33Å; D410-M1102 HydrophobicContact CB-CB 3.84Å; D410-M1102 WeakPolarHBondContact OD1-CB 3.35Å; D410-M1102 WeakPolarHBondContact OD2-CB 3.48Å; D410-F1145 WeakPolarHBondContact OD1-CD2 3.46Å; D410-F1145 VanDerWaalsContact OD1-CE2 3.28Å; D410-F1145 WeakPolarHBondContact OD1-CE2 3.45Å; D410-F1145 WeakPolarHBondContact OD2-CE2 3.5Å; D410-F1145 WeakPolarHBondContact OD2-CZ 3.26Å | |||
| 411 | A | 31.5 | Very low | 38.1 | Very low | 50 Ų | 50 | 102.4 Ų | 102.4 | 41% | 0.413 | 55% | 0.545 | S | S | . | . | S | Bend | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 121.2 | F1097 D1101 M1102 L1105 V1140 | A411-F1097 HydrophobicContact CB-CD1 4.29Å; A411-F1097 HydrophobicContact CB-CE1 4.1Å; A411-F1097 HydrophobicContact CB-CE2 4.41Å; A411-F1097 HydrophobicContact CB-CZ 4.18Å; A411-F1097 VanDerWaalsContact N-CB 3.29Å; A411-F1097 WeakPolarHBondContact O-CD2 3.45Å; A411-F1097 WeakPolarHBondContact O-CE2 3.34Å; A411-D1101 HydrophobicContact CB-CB 4.42Å; A411-D1101 WeakPolarHBondContact CB-O 3.39Å; A411-M1102 WeakPolarHBondContact O-CE 3.2Å; A411-L1105 HydrophobicContact CB-CB 4.28Å; A411-L1105 HydrophobicContact CB-CD2 4.43Å; A411-V1140 WeakPolarHBondContact O-CG1 3.43Å | |
| 412 | I | 29.1 | Very low | 40.1 | Very low | 78.5 Ų | 78.5 | 95.3 Ų | 95.3 | 40% | 0.403 | 51% | 0.508 | S | S | . | . | 0 | 0 | 0 | -52.5 | 177.7 | 0 | 0 | 0 | 118 | T414 N1048 F1097 F1128 V1140 F1196 | I412-T414 PolarHBondContact O-N 2.65Å; I412-N1048 HydrophobicContact CD1-CB 4.23Å; I412-F1097 HydrophobicContact CB-CE2 4.06Å; I412-F1097 HydrophobicContact CB-CZ 4.17Å; I412-F1097 HydrophobicContact CD1-CE1 4.21Å; I412-F1097 HydrophobicContact CD1-CE2 4.29Å; I412-F1097 HydrophobicContact CD1-CZ 3.52Å; I412-F1097 HydrophobicContact CG1-CE1 4.27Å; I412-F1097 HydrophobicContact CG1-CE2 3.77Å; I412-F1097 HydrophobicContact CG1-CZ 3.46Å; I412-F1097 VanDerWaalsContact CG1-CZ 3.46Å; I412-F1128 HydrophobicContact CB-CD2 4.46Å; I412-F1128 HydrophobicContact CG2-CB 4.12Å; I412-F1128 HydrophobicContact CG2-CD1 3.77Å; I412-F1128 HydrophobicContact CG2-CD2 2.94Å; I412-F1128 HydrophobicContact CG2-CE1 3.91Å; I412-F1128 HydrophobicContact CG2-CE2 3.12Å; I412-F1128 HydrophobicContact CG2-CG 3.27Å; I412-F1128 HydrophobicContact CG2-CZ 3.61Å; I412-V1140 WeakPolarHBondContact O-CA 3.44Å; I412-V1140 WeakPolarHBondContact O-CG2 3.42Å; I412-F1196 VanDerWaalsContact C-CD1 3.45Å; I412-F1196 HydrophobicContact CB-CD1 3.94Å; I412-F1196 HydrophobicContact CB-CE1 3.31Å; I412-F1196 HydrophobicContact CB-CZ 3.69Å; I412-F1196 HydrophobicContact CD1-CE1 4.29Å; I412-F1196 HydrophobicContact CD1-CZ 4.07Å; I412-F1196 HydrophobicContact CG1-CE1 4.31Å; I412-F1196 HydrophobicContact CG1-CZ 4.34Å; I412-F1196 HydrophobicContact CG2-CD1 3.89Å; I412-F1196 HydrophobicContact CG2-CE1 3.23Å; I412-F1196 HydrophobicContact CG2-CZ 4.03Å | |||
| 413 | T | 30.6 | Very low | 42.4 | Very low | 66.5 Ų | 66.5 | 89.9 Ų | 89.9 | 41% | 0.408 | 47% | 0.471 | S | S | . | . | T | Hydrogen-bonded Turn | 0 | 0 | 0 | 40.3 | 0 | 0 | 0 | 0 | 124.7 | F1128 P1138 E1139 V1140 F1149 L1198 | T413-F1128 WeakPolarHBondContact O-CE2 3.26Å; T413-F1128 WeakPolarHBondContact O-CZ 3.23Å; T413-F1128 WeakPolarHBondContact OG1-CE1 3.47Å; T413-F1128 WeakPolarHBondContact OG1-CZ 3.15Å; T413-P1138 VanDerWaalsContact CB-C 3.48Å; T413-P1138 HydrophobicContact CG2-CB 3.82Å; T413-P1138 WeakPolarHBondContact OG1-CB 3.46Å; T413-E1139 WeakPolarHBondContact CA-O 3.36Å; T413-E1139 VanDerWaalsContact CB-N 3.32Å; T413-E1139 WeakPolarHBondContact CG2-O 3.34Å; T413-V1140 HydrophobicContact CG2-CB 4.11Å; T413-V1140 HydrophobicContact CG2-CG2 3.18Å; T413-F1149 HydrophobicContact CG2-CD2 4.27Å; T413-L1198 WeakPolarHBondContact O-CD2 3.27Å | |
| 414 | T | 29.5 | Very low | 44.5 | Very low | 72 Ų | 72 | 86 Ų | 86 | 44% | 0.442 | 46% | 0.456 | S | S | . | . | T | Hydrogen-bonded Turn | 0 | 0 | 0 | 65.8 | 0 | 0 | 0 | 0 | 124.7 | I412 F1128 V1131 I1134 T1135 P1138 I1197 L1198 P1199 | I412-T414 PolarHBondContact O-N 2.65Å; T414-F1128 HydrophobicContact CG2-CZ 4.13Å; T414-V1131 HydrophobicContact CG2-CB 3.36Å; T414-V1131 HydrophobicContact CG2-CG1 4.31Å; T414-V1131 HydrophobicContact CG2-CG2 3.32Å; T414-V1131 WeakPolarHBondContact OG1-CB 3.41Å; T414-I1134 CarbonylContact C-O 3.58Å; T414-T1135 HydrophobicContact CG2-CG2 3.13Å; T414-T1135 WeakPolarHBondContact O-CB 3.25Å; T414-T1135 PolarHBondContact O-OG1 3.3Å; T414-P1138 HydrophobicContact CG2-CB 4.13Å; T414-I1197 PolarHBondContact N-O 3.31Å; T414-L1198 VanDerWaalsContact CA-CA 3.41Å; T414-L1198 VanDerWaalsContact CA-CD2 3.49Å; T414-L1198 WeakPolarHBondContact OG1-CD1 3.42Å; T414-P1199 CarbonylContact C-O 3.15Å | |
| 415 | K | 34.7 | Very low | 46.9 | Very low | 85 Ų | 85 | 81.7 Ų | 81.7 | 37% | 0.37 | 43% | 0.432 | S | S | . | . | S | Bend | 0 | 0 | 0 | -170.6 | -124.9 | -152.8 | 177.3 | 0 | 124.8 | N1133 I1134 T1135 D1136 P1199 L1200 | K415-N1133 PolarHBondContact NZ-O 3.49Å; K415-I1134 WeakPolarHBondContact CA-O 3.37Å; K415-I1134 WeakPolarHBondContact CB-O 3.41Å; K415-I1134 VanDerWaalsContact CD-C 3.45Å; K415-I1134 PolarHBondContact N-O 3.14Å; K415-T1135 VanDerWaalsContact CB-CA 3.42Å; K415-T1135 WeakPolarHBondContact CB-OG1 3.24Å; K415-T1135 VanDerWaalsContact CE-C 3.49Å; K415-T1135 VanDerWaalsContact CE-CA 3.49Å; K415-D1136 WeakPolarHBondContact CE-OD1 3.33Å; K415-D1136 IonicContact NZ-OD1 3.42Å; K415-P1199 WeakPolarHBondContact CA-O 3.49Å; K415-P1199 WeakPolarHBondContact CB-O 3.43Å; K415-L1200 VanDerWaalsContact C-CG 3.47Å; K415-L1200 HydrophobicContact CB-CB 4.23Å; K415-L1200 HydrophobicContact CB-CD2 4.32Å; K415-L1200 VanDerWaalsContact O-CD2 3.31Å; K415-L1200 WeakPolarHBondContact O-CD2 3.34Å | |
| 416 | Y | 34.3 | Very low | 49.2 | Very low | 103 Ų | 103 | 79.4 Ų | 79.4 | 40% | 0.404 | 41% | 0.413 | S | S | . | . | S | Bend | 0 | 0 | 0 | -92.8 | -31.7 | 0 | 0 | 0 | 121.9 | K1084 L1200 | Y416-K1084 HydrophobicContact CE1-CB 3.55Å; Y416-K1084 HydrophobicContact CE1-CD 4.13Å; Y416-K1084 HydrophobicContact CE1-CG 3.64Å; Y416-K1084 HydrophobicContact CE2-CG 4.37Å; Y416-K1084 VanDerWaalsContact CZ-CG 3.49Å; Y416-K1084 WeakPolarHBondContact OH-CD 3.45Å; Y416-K1084 WeakPolarHBondContact OH-CE 3.44Å; Y416-K1084 PolarHBondContact OH-NZ 3.08Å; Y416-L1200 VanDerWaalsContact CA-CB 3.49Å; Y416-L1200 VanDerWaalsContact CA-CD1 3.44Å; Y416-L1200 VanDerWaalsContact CB-C 3.48Å; Y416-L1200 HydrophobicContact CD1-CB 2.91Å; Y416-L1200 HydrophobicContact CD1-CD1 3.81Å; Y416-L1200 HydrophobicContact CD1-CG 3.84Å; Y416-L1200 HydrophobicContact CD2-CB 4.34Å; Y416-L1200 WeakPolarHBondContact CD2-O 3.41Å; Y416-L1200 HydrophobicContact CE1-CB 3.47Å; Y416-L1200 VanDerWaalsContact CE1-CB 3.47Å; Y416-L1200 HydrophobicContact CE1-CG 4.44Å; Y416-L1200 VanDerWaalsContact CE1-O 3.3Å; Y416-L1200 WeakPolarHBondContact CE1-O 3.21Å; Y416-L1200 WeakPolarHBondContact CE2-O 3.34Å; Y416-L1200 HydrophobicContact CG-CB 3.26Å; Y416-L1200 HydrophobicContact CG-CD1 4.44Å; Y416-L1200 HydrophobicContact CG-CG 4.44Å; Y416-L1200 VanDerWaalsContact N-CB 3.34Å; Y416-L1200 PolarHBondContact OH-O 2.79Å | |
| 417 | P | 40.1 | Very low | 51.3 | Low | 36 Ų | 36 | 74.4 Ų | 74.4 | 23% | 0.234 | 38% | 0.38 | C | S | . | . | 0 | 163.9 | 0 | 14 | -8.5 | 0 | 0 | 0 | 116.9 | I422 F1085 | P417-I422 HydrophobicContact CG-CD1 4.49Å; P417-F1085 HydrophobicContact CB-CD2 4.44Å; P417-F1085 HydrophobicContact CG-CD2 3.9Å | |||
| 418 | K | 51.6 | Low | 53.4 | Low | 124.5 Ų | 124.5 | 69.4 Ų | 69.4 | 54% | 0.541 | 36% | 0.362 | S | S | . | . | -120.2 | 162.2 | -93.3 | -124.6 | 170 | 177.6 | 179.3 | 0 | 111.9 | T420 E421 | K418-T420 PolarHBondContact O-N 3.49Å; K418-E421 VanDerWaalsContact O-CB 3.26Å; K418-E421 WeakPolarHBondContact O-CB 3.04Å; K418-E421 PolarHBondContact O-N 3.36Å | |||
| 419 | L | 64.8 | Low | 55.5 | Low | 56 Ų | 56 | 63.8 Ų | 63.8 | 29% | 0.293 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -67.5 | -102.7 | -164.6 | -148.4 | 116.3 | 0 | 0 | 0 | 118.3 | E421 I422 V423 L477 E480 A481 | L419-E421 VanDerWaalsContact C-N 3.29Å; L419-E421 PolarHBondContact O-N 3.03Å; L419-E421 VanDerWaalsContact O-N 3.16Å; L419-I422 HydrophobicContact CD2-CD1 4.16Å; L419-I422 PolarHBondContact O-N 2.99Å; L419-V423 PolarHBondContact O-N 2.8Å; L419-L477 HydrophobicContact CD1-CB 4.08Å; L419-L477 HydrophobicContact CD1-CD2 3.83Å; L419-L477 WeakPolarHBondContact CD1-O 3.27Å; L419-E480 HydrophobicContact CD2-CB 4.47Å; L419-E480 HydrophobicContact CD2-CG 4.15Å; L419-A481 HydrophobicContact CD1-CB 4.33Å; L419-A481 HydrophobicContact CD2-CB 3.87Å; L419-A481 HydrophobicContact CG-CB 3.83Å |
| 420 | T | 66.6 | Low | 57.4 | Low | 86.5 Ų | 86.5 | 60.4 Ų | 60.4 | 53% | 0.531 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | 3.3 | -31.5 | 176.6 | -4.6 | 0 | 0 | 0 | 0 | 115.8 | K418 I422 V423 D424 V486 | K418-T420 PolarHBondContact O-N 3.49Å; T420-I422 VanDerWaalsContact C-N 3.3Å; T420-I422 PolarHBondContact O-N 2.9Å; T420-V423 PolarHBondContact O-N 3.47Å; T420-D424 PolarHBondContact O-N 3.13Å; T420-D424 VanDerWaalsContact O-N 3.1Å; T420-V486 HydrophobicContact CG2-CG1 3.98Å |
| 421 | E | 71.6 | Confident | 59.3 | Low | 109 Ų | 109 | 62.2 Ų | 62.2 | 51% | 0.509 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -65.8 | -10.6 | -176.6 | -151.5 | 177.1 | -164.4 | 0 | 0 | 114.3 | K418 L419 D424 K425 | K418-E421 VanDerWaalsContact O-CB 3.26Å; K418-E421 WeakPolarHBondContact O-CB 3.04Å; K418-E421 PolarHBondContact O-N 3.36Å; L419-E421 VanDerWaalsContact C-N 3.29Å; L419-E421 PolarHBondContact O-N 3.03Å; L419-E421 VanDerWaalsContact O-N 3.16Å; E421-D424 PolarHBondContact O-N 3.46Å; E421-K425 WeakPolarHBondContact O-CD 3.41Å; E421-K425 VanDerWaalsContact O-CE 3.31Å; E421-K425 WeakPolarHBondContact O-CE 3.33Å; E421-K425 VanDerWaalsContact O-CG 3.24Å; E421-K425 WeakPolarHBondContact O-CG 3.31Å; E421-K425 PolarHBondContact O-N 3.32Å; E421-K425 VanDerWaalsContact O-N 3.11Å |
| 422 | I | 72.1 | Confident | 61.2 | Low | 6 Ų | 6 | 65.6 Ų | 65.6 | 3% | 0.031 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -84.8 | -45.7 | -173.6 | -63.1 | 147.9 | 0 | 0 | 0 | 111.6 | P417 L419 T420 D424 K425 F426 I462 L474 L477 | P417-I422 HydrophobicContact CG-CD1 4.49Å; L419-I422 HydrophobicContact CD2-CD1 4.16Å; L419-I422 PolarHBondContact O-N 2.99Å; T420-I422 VanDerWaalsContact C-N 3.3Å; T420-I422 PolarHBondContact O-N 2.9Å; I422-D424 VanDerWaalsContact C-N 3.33Å; I422-D424 PolarHBondContact O-N 3.17Å; I422-K425 PolarHBondContact O-N 3.04Å; I422-F426 PolarHBondContact O-N 3.12Å; I422-F426 VanDerWaalsContact O-N 3.11Å; I422-I462 HydrophobicContact CB-CD1 4.44Å; I422-I462 HydrophobicContact CB-CG2 4.36Å; I422-I462 HydrophobicContact CD1-CG2 3.95Å; I422-I462 HydrophobicContact CG1-CG2 4.02Å; I422-I462 HydrophobicContact CG2-CD1 3.92Å; I422-I462 HydrophobicContact CG2-CG2 4.19Å; I422-L474 HydrophobicContact CG2-CD1 3.9Å; I422-L477 HydrophobicContact CB-CD2 4.42Å; I422-L477 HydrophobicContact CD1-CD1 3.55Å; I422-L477 HydrophobicContact CD1-CD2 3.95Å; I422-L477 HydrophobicContact CG1-CD2 4.31Å; I422-L477 HydrophobicContact CG2-CB 4.33Å; I422-L477 HydrophobicContact CG2-CD1 4.38Å; I422-L477 HydrophobicContact CG2-CD2 3.95Å |
| 423 | V | 76.1 | Confident | 63 | Low | 6.5 Ų | 6.5 | 63.8 Ų | 63.8 | 4% | 0.039 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -66.8 | -40.9 | -177.8 | 178.1 | 0 | 0 | 0 | 0 | 110.8 | L419 T420 K425 F426 N427 L478 A481 V486 V489 | L419-V423 PolarHBondContact O-N 2.8Å; T420-V423 PolarHBondContact O-N 3.47Å; V423-K425 PolarHBondContact O-N 3.4Å; V423-F426 PolarHBondContact O-N 3.12Å; V423-N427 VanDerWaalsContact CG1-ND2 3.33Å; V423-N427 WeakPolarHBondContact CG1-ND2 3.49Å; V423-N427 WeakPolarHBondContact O-CB 3.36Å; V423-N427 PolarHBondContact O-N 2.73Å; V423-N427 PolarHBondContact O-ND2 3.17Å; V423-N427 VanDerWaalsContact O-ND2 3.07Å; V423-L478 HydrophobicContact CG2-CD2 4.26Å; V423-A481 HydrophobicContact CB-CB 4.5Å; V423-A481 HydrophobicContact CG1-CB 4.32Å; V423-A481 HydrophobicContact CG2-CB 3.38Å; V423-A481 VanDerWaalsContact CG2-CB 3.41Å; V423-V486 HydrophobicContact CB-CG1 4.25Å; V423-V486 HydrophobicContact CG1-CB 4.36Å; V423-V486 HydrophobicContact CG1-CG1 4.06Å; V423-V486 HydrophobicContact CG2-CG1 4.21Å; V423-V489 HydrophobicContact CG1-CG2 3.78Å; V423-V489 HydrophobicContact CG2-CG2 3.98Å |
| 424 | D | 75.5 | Confident | 64.3 | Low | 84.5 Ų | 84.5 | 64.5 Ų | 64.5 | 45% | 0.452 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -63 | -42.2 | 177.4 | -71.2 | -26.4 | 0 | 0 | 0 | 111.8 | T420 E421 I422 F426 N427 N428 | T420-D424 PolarHBondContact O-N 3.13Å; T420-D424 VanDerWaalsContact O-N 3.1Å; E421-D424 PolarHBondContact O-N 3.46Å; I422-D424 VanDerWaalsContact C-N 3.33Å; I422-D424 PolarHBondContact O-N 3.17Å; D424-F426 PolarHBondContact O-N 3.31Å; D424-N427 PolarHBondContact O-N 3.35Å; D424-N428 WeakPolarHBondContact O-CB 3.31Å; D424-N428 PolarHBondContact O-N 3.29Å; D424-N428 PolarHBondContact O-ND2 3.3Å; D424-N428 VanDerWaalsContact O-ND2 3.14Å |
| 425 | K | 77.5 | Confident | 65.9 | Low | 61.5 Ų | 61.5 | 67.3 Ų | 67.3 | 27% | 0.267 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -63.9 | -42 | 176.1 | -66.6 | -175.4 | -179.9 | -164.8 | 0 | 112.1 | E421 I422 V423 N427 N428 L429 L458 E461 I462 | E421-K425 WeakPolarHBondContact O-CD 3.41Å; E421-K425 VanDerWaalsContact O-CE 3.31Å; E421-K425 WeakPolarHBondContact O-CE 3.33Å; E421-K425 VanDerWaalsContact O-CG 3.24Å; E421-K425 WeakPolarHBondContact O-CG 3.31Å; E421-K425 PolarHBondContact O-N 3.32Å; E421-K425 VanDerWaalsContact O-N 3.11Å; I422-K425 PolarHBondContact O-N 3.04Å; V423-K425 PolarHBondContact O-N 3.4Å; K425-N427 PolarHBondContact O-N 2.88Å; K425-N428 PolarHBondContact O-N 3.13Å; K425-L429 WeakPolarHBondContact O-CB 3.42Å; K425-L429 PolarHBondContact O-N 3.16Å; K425-L429 VanDerWaalsContact O-N 3.09Å; K425-L458 HydrophobicContact CB-CD1 3.66Å; K425-L458 HydrophobicContact CD-CD1 4.14Å; K425-E461 WeakPolarHBondContact CD-OE1 3.5Å; K425-E461 VanDerWaalsContact CE-OE1 3.29Å; K425-E461 WeakPolarHBondContact CE-OE1 3.24Å; K425-E461 IonicContact NZ-OE1 2.96Å; K425-E461 PolarHBondContact NZ-OE1 3.11Å; K425-I462 HydrophobicContact CB-CD1 4.05Å; K425-I462 HydrophobicContact CD-CD1 4.24Å; K425-I462 HydrophobicContact CD-CG1 4.11Å |
| 426 | F | 82.4 | Confident | 67 | Low | 21 Ų | 21 | 68.6 Ų | 68.6 | 9% | 0.092 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -60.5 | -46.9 | 175 | 176.5 | -101.7 | 0 | 0 | 0 | 112.6 | I422 V423 D424 N428 L429 L430 L455 L458 L474 L478 V489 | I422-F426 PolarHBondContact O-N 3.12Å; I422-F426 VanDerWaalsContact O-N 3.11Å; V423-F426 PolarHBondContact O-N 3.12Å; D424-F426 PolarHBondContact O-N 3.31Å; F426-N428 VanDerWaalsContact C-N 3.34Å; F426-N428 PolarHBondContact O-N 3.16Å; F426-L429 PolarHBondContact O-N 2.8Å; F426-L430 HydrophobicContact CD1-CD1 3.95Å; F426-L430 HydrophobicContact CE1-CD1 3.34Å; F426-L430 HydrophobicContact CE1-CG 4.34Å; F426-L430 HydrophobicContact CE2-CD1 4.31Å; F426-L430 HydrophobicContact CE2-CG 4.46Å; F426-L430 HydrophobicContact CZ-CD1 3.55Å; F426-L430 HydrophobicContact CZ-CD2 4.44Å; F426-L430 HydrophobicContact CZ-CG 4.24Å; F426-L430 PolarHBondContact O-N 3.07Å; F426-L430 VanDerWaalsContact O-N 3.14Å; F426-L455 HydrophobicContact CD2-CD2 4.08Å; F426-L455 HydrophobicContact CE2-CD2 3.75Å; F426-L458 HydrophobicContact CB-CD2 4.08Å; F426-L458 HydrophobicContact CD2-CD2 4.18Å; F426-L458 HydrophobicContact CG-CD2 4.43Å; F426-L474 HydrophobicContact CD2-CD1 4Å; F426-L474 HydrophobicContact CE2-CD1 4.35Å; F426-L474 HydrophobicContact CE2-CD2 4.35Å; F426-L478 HydrophobicContact CB-CD2 4.09Å; F426-L478 HydrophobicContact CD1-CD1 4.28Å; F426-L478 HydrophobicContact CD1-CD2 3.63Å; F426-L478 HydrophobicContact CD1-CG 4.49Å; F426-L478 HydrophobicContact CD2-CD1 3.93Å; F426-L478 HydrophobicContact CD2-CD2 4.17Å; F426-L478 HydrophobicContact CE1-CD1 3.99Å; F426-L478 HydrophobicContact CE1-CD2 4.04Å; F426-L478 HydrophobicContact CE1-CG 4.3Å; F426-L478 HydrophobicContact CE2-CD1 3.64Å; F426-L478 HydrophobicContact CE2-CD2 4.12Å; F426-L478 HydrophobicContact CE2-CG 4.45Å; F426-L478 HydrophobicContact CG-CD1 3.93Å; F426-L478 HydrophobicContact CG-CD2 3.69Å; F426-L478 HydrophobicContact CZ-CD1 3.66Å; F426-L478 HydrophobicContact CZ-CD2 3.98Å; F426-L478 HydrophobicContact CZ-CG 4.29Å; F426-V489 HydrophobicContact CD1-CG1 4.3Å; F426-V489 HydrophobicContact CE1-CG1 3.96Å |
| 427 | N | 78.7 | Confident | 67.8 | Low | 4 Ų | 4 | 69.7 Ų | 69.7 | 2% | 0.021 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -69.4 | -30.6 | -179.8 | -70.1 | -42.6 | 0 | 0 | 0 | 113.3 | V423 D424 K425 R431 N488 V489 N490 | V423-N427 VanDerWaalsContact CG1-ND2 3.33Å; V423-N427 WeakPolarHBondContact CG1-ND2 3.49Å; V423-N427 WeakPolarHBondContact O-CB 3.36Å; V423-N427 PolarHBondContact O-N 2.73Å; V423-N427 PolarHBondContact O-ND2 3.17Å; V423-N427 VanDerWaalsContact O-ND2 3.07Å; D424-N427 PolarHBondContact O-N 3.35Å; K425-N427 PolarHBondContact O-N 2.88Å; N427-R431 WeakPolarHBondContact O-CD 3.33Å; N427-R431 VanDerWaalsContact O-CG 3.26Å; N427-R431 WeakPolarHBondContact O-CG 3.46Å; N427-R431 PolarHBondContact O-N 2.92Å; N427-R431 VanDerWaalsContact O-N 3.17Å; N427-N488 VanDerWaalsContact CG-O 3.26Å; N427-N488 PolarHBondContact ND2-O 3.31Å; N427-N488 VanDerWaalsContact ND2-O 3.13Å; N427-N488 PolarHBondContact OD1-O 3.24Å; N427-V489 WeakPolarHBondContact OD1-CA 3.44Å; N427-N490 PolarHBondContact OD1-N 3.22Å |
| 428 | N | 78.5 | Confident | 68.2 | Low | 82 Ų | 82 | 76.1 Ų | 76.1 | 44% | 0.439 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -68.4 | -40.3 | 172.9 | -72.8 | -23.2 | 0 | 0 | 0 | 111.5 | D424 K425 F426 R431 Q432 | D424-N428 WeakPolarHBondContact O-CB 3.31Å; D424-N428 PolarHBondContact O-N 3.29Å; D424-N428 PolarHBondContact O-ND2 3.3Å; D424-N428 VanDerWaalsContact O-ND2 3.14Å; K425-N428 PolarHBondContact O-N 3.13Å; F426-N428 VanDerWaalsContact C-N 3.34Å; F426-N428 PolarHBondContact O-N 3.16Å; N428-R431 PolarHBondContact O-N 3.14Å; N428-R431 PolarHBondContact OD1-NH2 3.32Å; N428-Q432 WeakPolarHBondContact O-CG 3.46Å; N428-Q432 PolarHBondContact O-N 3.21Å |
| 429 | L | 76.5 | Confident | 68.3 | Low | 20 Ų | 20 | 78.5 Ų | 78.5 | 11% | 0.105 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -63.9 | -43.3 | 178.2 | -167.6 | 151 | 0 | 0 | 0 | 112 | K425 F426 R431 Q432 Q433 L451 S454 L455 L458 | K425-L429 WeakPolarHBondContact O-CB 3.42Å; K425-L429 PolarHBondContact O-N 3.16Å; K425-L429 VanDerWaalsContact O-N 3.09Å; F426-L429 PolarHBondContact O-N 2.8Å; L429-R431 VanDerWaalsContact C-N 3.32Å; L429-R431 PolarHBondContact O-N 3.11Å; L429-Q432 PolarHBondContact O-N 3.17Å; L429-Q433 HydrophobicContact CD2-CG 4.42Å; L429-Q433 PolarHBondContact O-N 3.16Å; L429-Q433 VanDerWaalsContact O-N 3.12Å; L429-L451 HydrophobicContact CD2-CD1 4.33Å; L429-S454 WeakPolarHBondContact CD1-O 3.33Å; L429-L455 HydrophobicContact CD2-CD2 4.33Å; L429-L458 HydrophobicContact CB-CD2 4.21Å; L429-L458 HydrophobicContact CD1-CB 3.68Å; L429-L458 HydrophobicContact CD1-CD1 4.05Å; L429-L458 HydrophobicContact CD1-CD2 3.93Å; L429-L458 HydrophobicContact CD1-CG 4.2Å |
| 430 | L | 71.9 | Confident | 67.3 | Low | 34 Ų | 34 | 83 Ų | 83 | 18% | 0.178 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -61.4 | -40.5 | 174 | -74.8 | 171.1 | 0 | 0 | 0 | 112.6 | F426 Q433 Q434 L451 N490 | F426-L430 HydrophobicContact CD1-CD1 3.95Å; F426-L430 HydrophobicContact CE1-CD1 3.34Å; F426-L430 HydrophobicContact CE1-CG 4.34Å; F426-L430 HydrophobicContact CE2-CD1 4.31Å; F426-L430 HydrophobicContact CE2-CG 4.46Å; F426-L430 HydrophobicContact CZ-CD1 3.55Å; F426-L430 HydrophobicContact CZ-CD2 4.44Å; F426-L430 HydrophobicContact CZ-CG 4.24Å; F426-L430 PolarHBondContact O-N 3.07Å; F426-L430 VanDerWaalsContact O-N 3.14Å; L430-Q433 PolarHBondContact O-N 3.28Å; L430-Q434 PolarHBondContact O-N 3.39Å; L430-Q434 VanDerWaalsContact O-N 3.09Å; L430-L451 HydrophobicContact CD2-CD1 4.35Å; L430-N490 HydrophobicContact CD1-CB 3.94Å; L430-N490 WeakPolarHBondContact CD1-O 3.5Å |
| 431 | R | 71.8 | Confident | 66 | Low | 120.5 Ų | 120.5 | 88.4 Ų | 88.4 | 46% | 0.455 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -65.4 | -38.6 | 176.6 | -82.1 | 176.6 | -122.4 | -167 | -0.4 | 112.5 | N427 N428 L429 Q434 Q435 | N427-R431 WeakPolarHBondContact O-CD 3.33Å; N427-R431 VanDerWaalsContact O-CG 3.26Å; N427-R431 WeakPolarHBondContact O-CG 3.46Å; N427-R431 PolarHBondContact O-N 2.92Å; N427-R431 VanDerWaalsContact O-N 3.17Å; N428-R431 PolarHBondContact O-N 3.14Å; N428-R431 PolarHBondContact OD1-NH2 3.32Å; L429-R431 VanDerWaalsContact C-N 3.32Å; L429-R431 PolarHBondContact O-N 3.11Å; R431-Q434 PolarHBondContact O-N 3.06Å; R431-Q435 WeakPolarHBondContact O-CG 3.15Å; R431-Q435 PolarHBondContact O-N 3.26Å; R431-Q435 VanDerWaalsContact O-N 3.12Å |
| 432 | Q | 72 | Confident | 64.7 | Low | 120 Ų | 120 | 86.4 Ų | 86.4 | 56% | 0.561 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -63.4 | -42.2 | 175.8 | -75.4 | 175 | -14.1 | 0 | 0 | 111.9 | N428 L429 Q434 Q435 Q436 | N428-Q432 WeakPolarHBondContact O-CG 3.46Å; N428-Q432 PolarHBondContact O-N 3.21Å; L429-Q432 PolarHBondContact O-N 3.17Å; Q432-Q434 VanDerWaalsContact C-N 3.33Å; Q432-Q434 PolarHBondContact O-N 3.42Å; Q432-Q435 PolarHBondContact O-N 2.76Å; Q432-Q436 PolarHBondContact O-N 3.11Å; Q432-Q436 VanDerWaalsContact O-N 3.11Å |
| 433 | Q | 66.8 | Low | 63.1 | Low | 40.5 Ų | 40.5 | 92.7 Ų | 92.7 | 19% | 0.189 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -65.8 | -33.9 | 176.1 | -69.9 | -64.6 | -60.1 | 0 | 0 | 112.5 | L429 L430 Q436 H437 L451 | L429-Q433 HydrophobicContact CD2-CG 4.42Å; L429-Q433 PolarHBondContact O-N 3.16Å; L429-Q433 VanDerWaalsContact O-N 3.12Å; L430-Q433 PolarHBondContact O-N 3.28Å; Q433-Q436 PolarHBondContact O-N 2.99Å; Q433-H437 PolarHBondContact O-N 3.34Å; Q433-H437 VanDerWaalsContact O-N 3.14Å; Q433-L451 HydrophobicContact CB-CD1 4.48Å; Q433-L451 HydrophobicContact CG-CD1 4.1Å |
| 434 | Q | 58.4 | Low | 61.4 | Low | 81.5 Ų | 81.5 | 98.7 Ų | 98.7 | 38% | 0.381 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -67.7 | -41.3 | 173 | -88.3 | -179.4 | -33 | 0 | 0 | 113 | L430 R431 Q432 Q436 H437 E438 F492 | L430-Q434 PolarHBondContact O-N 3.39Å; L430-Q434 VanDerWaalsContact O-N 3.09Å; R431-Q434 PolarHBondContact O-N 3.06Å; Q432-Q434 VanDerWaalsContact C-N 3.33Å; Q432-Q434 PolarHBondContact O-N 3.42Å; Q434-Q436 VanDerWaalsContact C-N 3.33Å; Q434-Q436 PolarHBondContact O-N 3.39Å; Q434-H437 WeakPolarHBondContact O-CB 3.25Å; Q434-H437 PolarHBondContact O-N 3.12Å; Q434-H437 VanDerWaalsContact O-N 3.11Å; Q434-E438 PolarHBondContact O-N 3.45Å; Q434-F492 VanDerWaalsContact NE2-CE1 3.33Å; Q434-F492 VanDerWaalsContact NE2-CE2 3.34Å; Q434-F492 VanDerWaalsContact OE1-CE2 3.29Å |
| 435 | Q | 62.1 | Low | 59.8 | Low | 131.5 Ų | 131.5 | 100.5 Ų | 100.5 | 61% | 0.614 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -67.6 | -36.1 | 179.1 | -73.4 | 179.7 | -31.7 | 0 | 0 | 112.4 | R431 Q432 H437 E438 E439 | R431-Q435 WeakPolarHBondContact O-CG 3.15Å; R431-Q435 PolarHBondContact O-N 3.26Å; R431-Q435 VanDerWaalsContact O-N 3.12Å; Q432-Q435 PolarHBondContact O-N 2.76Å; Q435-H437 VanDerWaalsContact C-N 3.26Å; Q435-H437 PolarHBondContact O-N 3.02Å; Q435-E438 PolarHBondContact O-N 2.98Å; Q435-E439 PolarHBondContact O-N 3.13Å |
| 436 | Q | 56.8 | Low | 58.1 | Low | 112 Ų | 112 | 103.1 Ų | 103.1 | 52% | 0.523 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -64.7 | -25.3 | 171.6 | -72.2 | -178.2 | -30.3 | 0 | 0 | 112.8 | Q432 Q433 Q434 E438 E439 E440 | Q432-Q436 PolarHBondContact O-N 3.11Å; Q432-Q436 VanDerWaalsContact O-N 3.11Å; Q433-Q436 PolarHBondContact O-N 2.99Å; Q434-Q436 VanDerWaalsContact C-N 3.33Å; Q434-Q436 PolarHBondContact O-N 3.39Å; Q436-E438 VanDerWaalsContact C-N 3.33Å; Q436-E438 PolarHBondContact O-N 2.9Å; Q436-E439 PolarHBondContact O-N 3.22Å; Q436-E440 PolarHBondContact O-N 2.97Å |
| 437 | H | 51 | Low | 56.3 | Low | 127 Ų | 127 | 106 Ų | 106 | 59% | 0.588 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -77.3 | -16.6 | -179.3 | -143.6 | -56.9 | 0 | 0 | 0 | 113.6 | Q433 Q434 Q435 Q447 | Q433-H437 PolarHBondContact O-N 3.34Å; Q433-H437 VanDerWaalsContact O-N 3.14Å; Q434-H437 WeakPolarHBondContact O-CB 3.25Å; Q434-H437 PolarHBondContact O-N 3.12Å; Q434-H437 VanDerWaalsContact O-N 3.11Å; Q435-H437 VanDerWaalsContact C-N 3.26Å; Q435-H437 PolarHBondContact O-N 3.02Å; H437-Q447 PolarHBondContact CD2-OE1 3.45Å |
| 438 | E | 50.2 | Low | 54.7 | Low | 169.5 Ų | 169.5 | 109 Ų | 109 | 79% | 0.792 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -97.3 | -18.7 | 178.5 | -67.8 | -173.5 | 162.8 | 0 | 0 | 113.5 | Q434 Q435 Q436 | Q434-E438 PolarHBondContact O-N 3.45Å; Q435-E438 PolarHBondContact O-N 2.98Å; Q436-E438 VanDerWaalsContact C-N 3.33Å; Q436-E438 PolarHBondContact O-N 2.9Å |
| 439 | E | 52.8 | Low | 53.1 | Low | 174.5 Ų | 174.5 | 109 Ų | 109 | 82% | 0.815 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -98.3 | -18.9 | -176.5 | -67.5 | -170.4 | 158.8 | 0 | 0 | 114.7 | Q435 Q436 | Q435-E439 PolarHBondContact O-N 3.13Å; Q436-E439 PolarHBondContact O-N 3.22Å |
| 440 | E | 44.9 | Very low | 52.1 | Low | 151.5 Ų | 151.5 | 111.6 Ų | 111.6 | 71% | 0.708 | 57% | 0.572 | S | S | * | * | trans | -122.4 | 66.3 | -176.4 | -66.2 | -168.8 | 165.2 | 0 | 0 | 113.7 | Q436 G442 | Q436-E440 PolarHBondContact O-N 2.97Å; E440-G442 VanDerWaalsContact C-N 3.26Å; E440-G442 PolarHBondContact O-N 3.37Å; E440-G442 VanDerWaalsContact O-N 3.12Å | ||
| 441 | E | 37.5 | Very low | 51.6 | Low | 199.5 Ų | 199.5 | 111.9 Ų | 111.9 | 93% | 0.932 | 57% | 0.574 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.1 | 93.3 | 164.2 | -74 | -169.1 | 146.8 | 0 | 0 | 110.5 | ||
| 442 | G | 44.2 | Very low | 50.9 | Low | 66 Ų | 66 | 114.2 Ų | 114.2 | 68% | 0.68 | 58% | 0.583 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -179.8 | -32.4 | 171.9 | 0 | 0 | 0 | 0 | 0 | 119.6 | E440 | E440-G442 VanDerWaalsContact C-N 3.26Å; E440-G442 PolarHBondContact O-N 3.37Å; E440-G442 VanDerWaalsContact O-N 3.12Å |
| 443 | N | 40.2 | Very low | 50.3 | Low | 139 Ų | 139 | 112.6 Ų | 112.6 | 74% | 0.743 | 58% | 0.578 | S | S | * | * | trans | -126.5 | 101.9 | -170.3 | -91.3 | -28.8 | 0 | 0 | 0 | 113.2 | V445 | N443-V445 PolarHBondContact O-N 2.86Š| ||
| 444 | V | 39.7 | Very low | 50.3 | Low | 132 Ų | 132 | 112.2 Ų | 112.2 | 80% | 0.8 | 58% | 0.579 | S | S | * | * | trans | -91 | 38.7 | -173.2 | -177.6 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 445 | V | 41.1 | Very low | 50.8 | Low | 123.5 Ų | 123.5 | 109.5 Ų | 109.5 | 75% | 0.748 | 57% | 0.567 | S | S | * | * | S | Bend | trans | -116.1 | 44.3 | -178 | -175.9 | 0 | 0 | 0 | 0 | 112.9 | N443 Q447 | N443-V445 PolarHBondContact O-N 2.86Å; V445-Q447 VanDerWaalsContact C-N 3.3Å; V445-Q447 PolarHBondContact O-N 2.83Å |
| 446 | D | 42.5 | Very low | 50.9 | Low | 116.5 Ų | 116.5 | 104.9 Ų | 104.9 | 62% | 0.623 | 55% | 0.552 | S | S | * | * | S | Bend | trans | -33.3 | 16.6 | 170.9 | -101.5 | 0.8 | 0 | 0 | 0 | 117.6 | S448 N449 | D446-S448 PolarHBondContact O-N 3.27Å; D446-N449 WeakPolarHBondContact O-CB 3.16Å; D446-N449 PolarHBondContact O-N 3.3Å; D446-N449 PolarHBondContact OD2-ND2 3.24Å |
| 447 | Q | 43.6 | Very low | 51.4 | Low | 80 Ų | 80 | 102.9 Ų | 102.9 | 37% | 0.374 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -66.2 | -21.3 | -176.8 | -70 | -179.4 | -16.3 | 0 | 0 | 114.2 | H437 V445 N449 N450 L451 | H437-Q447 PolarHBondContact CD2-OE1 3.45Å; V445-Q447 VanDerWaalsContact C-N 3.3Å; V445-Q447 PolarHBondContact O-N 2.83Å; Q447-N449 VanDerWaalsContact C-N 3.31Å; Q447-N449 PolarHBondContact O-N 3.08Å; Q447-N450 PolarHBondContact O-N 3.46Å; Q447-L451 PolarHBondContact O-N 3.14Å |
| 448 | S | 46 | Very low | 52.5 | Low | 68.5 Ų | 68.5 | 97.1 Ų | 97.1 | 48% | 0.479 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -60.8 | -34.7 | 174.7 | 54.7 | 0 | 0 | 0 | 0 | 112.8 | D446 N450 L451 W452 | D446-S448 PolarHBondContact O-N 3.27Å; S448-N450 VanDerWaalsContact C-N 3.33Å; S448-N450 PolarHBondContact O-N 3.42Å; S448-L451 PolarHBondContact O-N 2.95Å; S448-W452 PolarHBondContact O-N 2.94Å |
| 449 | N | 44.8 | Very low | 53.4 | Low | 81.5 Ų | 81.5 | 92.1 Ų | 92.1 | 44% | 0.436 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -69.7 | -32.6 | 177.8 | -70.2 | -21.3 | 0 | 0 | 0 | 111.8 | D446 Q447 L451 W452 L453 | D446-N449 WeakPolarHBondContact O-CB 3.16Å; D446-N449 PolarHBondContact O-N 3.3Å; D446-N449 PolarHBondContact OD2-ND2 3.24Å; Q447-N449 VanDerWaalsContact C-N 3.31Å; Q447-N449 PolarHBondContact O-N 3.08Å; N449-L451 VanDerWaalsContact C-N 3.34Å; N449-L451 PolarHBondContact O-N 2.98Å; N449-W452 PolarHBondContact O-N 3.14Å; N449-L453 WeakPolarHBondContact O-CB 3.49Å; N449-L453 VanDerWaalsContact O-CG 3.23Å; N449-L453 WeakPolarHBondContact O-CG 3.26Å; N449-L453 PolarHBondContact O-N 3.04Å |
| 450 | N | 56.4 | Low | 54 | Low | 75 Ų | 75 | 92.1 Ų | 92.1 | 40% | 0.401 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -66.1 | -35 | 176.1 | -85.3 | -10.9 | 0 | 0 | 0 | 112.4 | Q447 S448 S454 | Q447-N450 PolarHBondContact O-N 3.46Å; S448-N450 VanDerWaalsContact C-N 3.33Å; S448-N450 PolarHBondContact O-N 3.42Å; N450-S454 WeakPolarHBondContact O-CB 3.27Å; N450-S454 PolarHBondContact O-N 3.22Å; N450-S454 PolarHBondContact O-OG 3.08Å |
| 451 | L | 60.6 | Low | 55.1 | Low | 40 Ų | 40 | 89.8 Ų | 89.8 | 21% | 0.209 | 48% | 0.482 | C | S | . | . | H | α-helix | trans | -66.2 | -45.7 | 174.5 | -177.2 | 66.4 | 0 | 0 | 0 | 111.4 | L429 L430 Q433 Q447 S448 N449 L453 S454 L455 L494 | L429-L451 HydrophobicContact CD2-CD1 4.33Å; L430-L451 HydrophobicContact CD2-CD1 4.35Å; Q433-L451 HydrophobicContact CB-CD1 4.48Å; Q433-L451 HydrophobicContact CG-CD1 4.1Å; Q447-L451 PolarHBondContact O-N 3.14Å; S448-L451 PolarHBondContact O-N 2.95Å; N449-L451 VanDerWaalsContact C-N 3.34Å; N449-L451 PolarHBondContact O-N 2.98Å; L451-L453 PolarHBondContact O-N 3.23Å; L451-S454 PolarHBondContact O-N 3.13Å; L451-L455 HydrophobicContact CD1-CD1 4.2Å; L451-L455 HydrophobicContact CD1-CG 4.06Å; L451-L455 HydrophobicContact CG-CD1 4.1Å; L451-L455 HydrophobicContact CG-CG 4.25Å; L451-L455 VanDerWaalsContact O-CB 3.26Å; L451-L455 WeakPolarHBondContact O-CB 3.41Å; L451-L455 VanDerWaalsContact O-CG 3.23Å; L451-L455 WeakPolarHBondContact O-CG 3.22Å; L451-L455 PolarHBondContact O-N 3.21Å; L451-L494 HydrophobicContact CD2-CD1 3.41Å; L451-L494 VanDerWaalsContact CD2-CD1 3.41Å |
| 452 | W | 57.9 | Low | 56.3 | Low | 169 Ų | 169 | 80.8 Ų | 80.8 | 64% | 0.64 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -65.6 | -38.7 | 178.7 | -67.9 | 115.5 | 0 | 0 | 0 | 112.6 | S448 N449 S454 L455 A456 | S448-W452 PolarHBondContact O-N 2.94Å; N449-W452 PolarHBondContact O-N 3.14Å; W452-S454 VanDerWaalsContact C-N 3.33Å; W452-L455 HydrophobicContact CE3-CD1 4.14Å; W452-L455 HydrophobicContact CZ3-CD1 4.27Å; W452-L455 PolarHBondContact O-N 2.87Å; W452-A456 WeakPolarHBondContact O-CA 3.31Å; W452-A456 WeakPolarHBondContact O-CB 3.4Å; W452-A456 PolarHBondContact O-N 3.38Å |
| 453 | L | 59.4 | Low | 57.2 | Low | 86 Ų | 86 | 78.8 Ų | 78.8 | 45% | 0.45 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -66.3 | -38.7 | 173.8 | -73.7 | 170 | 0 | 0 | 0 | 111.9 | N449 L451 A456 S457 D903 | N449-L453 WeakPolarHBondContact O-CB 3.49Å; N449-L453 VanDerWaalsContact O-CG 3.23Å; N449-L453 WeakPolarHBondContact O-CG 3.26Å; N449-L453 PolarHBondContact O-N 3.04Å; L451-L453 PolarHBondContact O-N 3.23Å; L453-A456 CarbonylContact O-C 3.59Å; L453-A456 PolarHBondContact O-N 3.1Å; L453-S457 WeakPolarHBondContact O-CA 3.17Å; L453-S457 WeakPolarHBondContact O-CB 3.2Å; L453-S457 PolarHBondContact O-N 3.1Å; L453-D903 HydrophobicContact CD1-CB 4.26Å |
| 454 | S | 67.1 | Low | 57.6 | Low | 31.5 Ų | 31.5 | 75.3 Ų | 75.3 | 22% | 0.22 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -68.4 | -44.3 | 176.3 | -60.9 | 0 | 0 | 0 | 0 | 111 | L429 N450 L451 W452 A456 S457 L458 | L429-S454 WeakPolarHBondContact CD1-O 3.33Å; N450-S454 WeakPolarHBondContact O-CB 3.27Å; N450-S454 PolarHBondContact O-N 3.22Å; N450-S454 PolarHBondContact O-OG 3.08Å; L451-S454 PolarHBondContact O-N 3.13Å; W452-S454 VanDerWaalsContact C-N 3.33Å; S454-A456 VanDerWaalsContact C-N 3.3Å; S454-A456 PolarHBondContact O-N 3.14Å; S454-S457 WeakPolarHBondContact O-CB 3.38Å; S454-S457 PolarHBondContact O-N 3.16Å; S454-L458 VanDerWaalsContact O-CB 3.24Å; S454-L458 WeakPolarHBondContact O-CB 3.43Å; S454-L458 PolarHBondContact O-N 3.25Å |
| 455 | L | 68.2 | Low | 57.9 | Low | 25.5 Ų | 25.5 | 72.7 Ų | 72.7 | 13% | 0.134 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -61.1 | -43.2 | 173.2 | -72.9 | 174 | 0 | 0 | 0 | 111.6 | F426 L429 L451 W452 S457 L458 E459 L474 | F426-L455 HydrophobicContact CD2-CD2 4.08Å; F426-L455 HydrophobicContact CE2-CD2 3.75Å; L429-L455 HydrophobicContact CD2-CD2 4.33Å; L451-L455 HydrophobicContact CD1-CD1 4.2Å; L451-L455 HydrophobicContact CD1-CG 4.06Å; L451-L455 HydrophobicContact CG-CD1 4.1Å; L451-L455 HydrophobicContact CG-CG 4.25Å; L451-L455 VanDerWaalsContact O-CB 3.26Å; L451-L455 WeakPolarHBondContact O-CB 3.41Å; L451-L455 VanDerWaalsContact O-CG 3.23Å; L451-L455 WeakPolarHBondContact O-CG 3.22Å; L451-L455 PolarHBondContact O-N 3.21Å; W452-L455 HydrophobicContact CE3-CD1 4.14Å; W452-L455 HydrophobicContact CZ3-CD1 4.27Å; W452-L455 PolarHBondContact O-N 2.87Å; L455-S457 VanDerWaalsContact C-N 3.3Å; L455-S457 PolarHBondContact O-N 2.84Å; L455-L458 CarbonylContact O-C 3.52Å; L455-L458 WeakPolarHBondContact O-CB 3.08Å; L455-L458 PolarHBondContact O-N 3.16Å; L455-E459 VanDerWaalsContact O-CB 3.25Å; L455-E459 WeakPolarHBondContact O-CB 3.17Å; L455-E459 PolarHBondContact O-N 3.2Å; L455-L474 HydrophobicContact CD2-CD2 4.23Å |
| 456 | A | 63.3 | Low | 57.7 | Low | 35 Ų | 35 | 70.9 Ų | 70.9 | 29% | 0.289 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -68.5 | -31.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113 | W452 L453 S454 E459 R460 | W452-A456 WeakPolarHBondContact O-CA 3.31Å; W452-A456 WeakPolarHBondContact O-CB 3.4Å; W452-A456 PolarHBondContact O-N 3.38Å; L453-A456 CarbonylContact O-C 3.59Å; L453-A456 PolarHBondContact O-N 3.1Å; S454-A456 VanDerWaalsContact C-N 3.3Å; S454-A456 PolarHBondContact O-N 3.14Å; A456-E459 VanDerWaalsContact CA-CB 3.44Å; A456-E459 CarbonylContact O-C 3.43Å; A456-E459 WeakPolarHBondContact O-CA 3.09Å; A456-E459 VanDerWaalsContact O-CB 3.32Å; A456-E459 WeakPolarHBondContact O-CB 3.32Å; A456-E459 PolarHBondContact O-N 3.48Å; A456-R460 WeakPolarHBondContact O-CD 3.36Å; A456-R460 WeakPolarHBondContact O-CG 3.19Å; A456-R460 PolarHBondContact O-N 3.25Å; A456-R460 VanDerWaalsContact O-N 3.09Å |
| 457 | S | 69 | Low | 57.4 | Low | 70.5 Ų | 70.5 | 72 Ų | 72 | 49% | 0.493 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -70.3 | -42.7 | 172.7 | -175.3 | 0 | 0 | 0 | 0 | 110.8 | L453 S454 L455 E459 R460 E461 | L453-S457 WeakPolarHBondContact O-CA 3.17Å; L453-S457 WeakPolarHBondContact O-CB 3.2Å; L453-S457 PolarHBondContact O-N 3.1Å; S454-S457 WeakPolarHBondContact O-CB 3.38Å; S454-S457 PolarHBondContact O-N 3.16Å; L455-S457 VanDerWaalsContact C-N 3.3Å; L455-S457 PolarHBondContact O-N 2.84Å; S457-E459 VanDerWaalsContact C-N 3.34Å; S457-E459 PolarHBondContact O-N 2.73Å; S457-R460 CarbonylContact O-C 3.55Å; S457-R460 WeakPolarHBondContact O-CA 2.99Å; S457-R460 WeakPolarHBondContact O-CB 3.31Å; S457-R460 PolarHBondContact O-N 3.16Å; S457-E461 WeakPolarHBondContact O-CB 3.28Å; S457-E461 PolarHBondContact O-N 2.9Å |
| 458 | L | 72.9 | Confident | 57.2 | Low | 5.5 Ų | 5.5 | 69.8 Ų | 69.8 | 3% | 0.029 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -64.4 | -33.1 | 171.6 | -175.1 | 72.8 | 0 | 0 | 0 | 111.1 | K425 F426 L429 S454 L455 R460 E461 I462 L474 | K425-L458 HydrophobicContact CB-CD1 3.66Å; K425-L458 HydrophobicContact CD-CD1 4.14Å; F426-L458 HydrophobicContact CB-CD2 4.08Å; F426-L458 HydrophobicContact CD2-CD2 4.18Å; F426-L458 HydrophobicContact CG-CD2 4.43Å; L429-L458 HydrophobicContact CB-CD2 4.21Å; L429-L458 HydrophobicContact CD1-CB 3.68Å; L429-L458 HydrophobicContact CD1-CD1 4.05Å; L429-L458 HydrophobicContact CD1-CD2 3.93Å; L429-L458 HydrophobicContact CD1-CG 4.2Å; S454-L458 VanDerWaalsContact O-CB 3.24Å; S454-L458 WeakPolarHBondContact O-CB 3.43Å; S454-L458 PolarHBondContact O-N 3.25Å; L455-L458 CarbonylContact O-C 3.52Å; L455-L458 WeakPolarHBondContact O-CB 3.08Å; L455-L458 PolarHBondContact O-N 3.16Å; L458-R460 PolarHBondContact O-N 2.91Å; L458-E461 WeakPolarHBondContact O-CB 3.41Å; L458-E461 PolarHBondContact O-N 3.25Å; L458-I462 HydrophobicContact CD1-CD1 3.92Å; L458-I462 HydrophobicContact CD1-CG1 4.39Å; L458-I462 HydrophobicContact CD2-CD1 4.43Å; L458-I462 HydrophobicContact CG-CD1 3.82Å; L458-I462 HydrophobicContact CG-CG1 4.34Å; L458-I462 VanDerWaalsContact O-CA 3.32Å; L458-I462 WeakPolarHBondContact O-CA 3.38Å; L458-I462 WeakPolarHBondContact O-CB 3.4Å; L458-I462 WeakPolarHBondContact O-CD1 3.35Å; L458-I462 WeakPolarHBondContact O-CG1 3.44Å; L458-I462 PolarHBondContact O-N 3.12Å; L458-L474 HydrophobicContact CD2-CD2 3.94Å; L458-L474 HydrophobicContact CG-CD2 4.2Å |
| 459 | E | 70.2 | Confident | 57 | Low | 64.5 Ų | 64.5 | 73.1 Ų | 73.1 | 30% | 0.301 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -72.7 | -16 | 171.3 | -157.1 | 149.8 | -136.9 | 0 | 0 | 112.3 | L455 A456 S457 E461 I462 F463 S473 L474 | L455-E459 VanDerWaalsContact O-CB 3.25Å; L455-E459 WeakPolarHBondContact O-CB 3.17Å; L455-E459 PolarHBondContact O-N 3.2Å; A456-E459 VanDerWaalsContact CA-CB 3.44Å; A456-E459 CarbonylContact O-C 3.43Å; A456-E459 WeakPolarHBondContact O-CA 3.09Å; A456-E459 VanDerWaalsContact O-CB 3.32Å; A456-E459 WeakPolarHBondContact O-CB 3.32Å; A456-E459 PolarHBondContact O-N 3.48Å; S457-E459 VanDerWaalsContact C-N 3.34Å; S457-E459 PolarHBondContact O-N 2.73Å; E459-E461 VanDerWaalsContact C-N 3.3Å; E459-E461 PolarHBondContact O-N 3.25Å; E459-I462 PolarHBondContact O-N 3.29Å; E459-F463 HydrophobicContact CB-CD2 4.14Å; E459-F463 HydrophobicContact CB-CE2 4.18Å; E459-F463 HydrophobicContact CG-CD2 3.59Å; E459-F463 HydrophobicContact CG-CE2 3.59Å; E459-F463 HydrophobicContact CG-CG 4.43Å; E459-F463 HydrophobicContact CG-CZ 3.85Å; E459-F463 WeakPolarHBondContact O-CB 3.44Å; E459-F463 VanDerWaalsContact O-CD2 3.24Å; E459-F463 WeakPolarHBondContact O-CD2 3.36Å; E459-F463 VanDerWaalsContact O-CG 3.31Å; E459-F463 WeakPolarHBondContact O-CG 3.44Å; E459-F463 PolarHBondContact O-N 3.18Å; E459-S473 WeakPolarHBondContact OE1-CA 3.41Å; E459-S473 WeakPolarHBondContact OE1-CB 3.5Å; E459-L474 HydrophobicContact CB-CB 4.06Å; E459-L474 HydrophobicContact CB-CD2 4.36Å; E459-L474 HydrophobicContact CG-CB 3.94Å; E459-L474 WeakPolarHBondContact OE1-CB 3.32Å; E459-L474 PolarHBondContact OE1-N 2.86Å |
| 460 | R | 64.4 | Low | 57 | Low | 174 Ų | 174 | 76.6 Ų | 76.6 | 66% | 0.657 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -97.4 | -30.7 | 173.3 | -78.8 | 173.2 | -177.1 | 161.6 | 2.4 | 112.7 | A456 S457 L458 F463 P464 | A456-R460 WeakPolarHBondContact O-CD 3.36Å; A456-R460 WeakPolarHBondContact O-CG 3.19Å; A456-R460 PolarHBondContact O-N 3.25Å; A456-R460 VanDerWaalsContact O-N 3.09Å; S457-R460 CarbonylContact O-C 3.55Å; S457-R460 WeakPolarHBondContact O-CA 2.99Å; S457-R460 WeakPolarHBondContact O-CB 3.31Å; S457-R460 PolarHBondContact O-N 3.16Å; L458-R460 PolarHBondContact O-N 2.91Å; R460-F463 VanDerWaalsContact C-N 3.3Å; R460-F463 WeakPolarHBondContact CA-O 3.4Å; R460-F463 CarbonylContact O-C 3.58Å; R460-F463 VanDerWaalsContact O-C 3.31Å; R460-F463 PolarHBondContact O-N 2.78Å; R460-P464 VanDerWaalsContact O-CA 3.31Å; R460-P464 WeakPolarHBondContact O-CA 3.21Å; R460-P464 WeakPolarHBondContact O-CD 3.49Å; R460-P464 WeakPolarHBondContact O-CG 3.36Å |
| 461 | E | 67.1 | Low | 56.4 | Low | 102.5 Ų | 102.5 | 75.4 Ų | 75.4 | 48% | 0.479 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -71.9 | -39.3 | 171 | -168.7 | -164.6 | 159.3 | 0 | 0 | 110.9 | K425 S457 L458 E459 P464 | K425-E461 WeakPolarHBondContact CD-OE1 3.5Å; K425-E461 VanDerWaalsContact CE-OE1 3.29Å; K425-E461 WeakPolarHBondContact CE-OE1 3.24Å; K425-E461 IonicContact NZ-OE1 2.96Å; K425-E461 PolarHBondContact NZ-OE1 3.11Å; S457-E461 WeakPolarHBondContact O-CB 3.28Å; S457-E461 PolarHBondContact O-N 2.9Å; L458-E461 WeakPolarHBondContact O-CB 3.41Å; L458-E461 PolarHBondContact O-N 3.25Å; E459-E461 VanDerWaalsContact C-N 3.3Å; E459-E461 PolarHBondContact O-N 3.25Å; E461-P464 WeakPolarHBondContact O-CD 3.35Å |
| 462 | I | 62.8 | Low | 56 | Low | 11 Ų | 11 | 77.4 Ų | 77.4 | 6% | 0.056 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -88.6 | -4.9 | 172 | -48.8 | 164.7 | 0 | 0 | 0 | 110.2 | I422 K425 L458 E459 P464 L474 L477 | I422-I462 HydrophobicContact CB-CD1 4.44Å; I422-I462 HydrophobicContact CB-CG2 4.36Å; I422-I462 HydrophobicContact CD1-CG2 3.95Å; I422-I462 HydrophobicContact CG1-CG2 4.02Å; I422-I462 HydrophobicContact CG2-CD1 3.92Å; I422-I462 HydrophobicContact CG2-CG2 4.19Å; K425-I462 HydrophobicContact CB-CD1 4.05Å; K425-I462 HydrophobicContact CD-CD1 4.24Å; K425-I462 HydrophobicContact CD-CG1 4.11Å; L458-I462 HydrophobicContact CD1-CD1 3.92Å; L458-I462 HydrophobicContact CD1-CG1 4.39Å; L458-I462 HydrophobicContact CD2-CD1 4.43Å; L458-I462 HydrophobicContact CG-CD1 3.82Å; L458-I462 HydrophobicContact CG-CG1 4.34Å; L458-I462 VanDerWaalsContact O-CA 3.32Å; L458-I462 WeakPolarHBondContact O-CA 3.38Å; L458-I462 WeakPolarHBondContact O-CB 3.4Å; L458-I462 WeakPolarHBondContact O-CD1 3.35Å; L458-I462 WeakPolarHBondContact O-CG1 3.44Å; L458-I462 PolarHBondContact O-N 3.12Å; E459-I462 PolarHBondContact O-N 3.29Å; I462-P464 WeakPolarHBondContact O-CD 3.21Å; I462-L474 HydrophobicContact CD1-CD1 3.63Å; I462-L477 HydrophobicContact CG2-CD1 4.4Å |
| 463 | F | 63.4 | Low | 56.1 | Low | 24.5 Ų | 24.5 | 71.6 Ų | 71.6 | 11% | 0.107 | 38% | 0.383 | C | S | . | . | trans | -132.9 | 72.7 | 162.8 | -54.6 | -56.1 | 0 | 0 | 0 | 114.9 | E459 R460 Q465 Q472 L477 | E459-F463 HydrophobicContact CB-CD2 4.14Å; E459-F463 HydrophobicContact CB-CE2 4.18Å; E459-F463 HydrophobicContact CG-CD2 3.59Å; E459-F463 HydrophobicContact CG-CE2 3.59Å; E459-F463 HydrophobicContact CG-CG 4.43Å; E459-F463 HydrophobicContact CG-CZ 3.85Å; E459-F463 WeakPolarHBondContact O-CB 3.44Å; E459-F463 VanDerWaalsContact O-CD2 3.24Å; E459-F463 WeakPolarHBondContact O-CD2 3.36Å; E459-F463 VanDerWaalsContact O-CG 3.31Å; E459-F463 WeakPolarHBondContact O-CG 3.44Å; E459-F463 PolarHBondContact O-N 3.18Å; R460-F463 VanDerWaalsContact C-N 3.3Å; R460-F463 WeakPolarHBondContact CA-O 3.4Å; R460-F463 CarbonylContact O-C 3.58Å; R460-F463 VanDerWaalsContact O-C 3.31Å; R460-F463 PolarHBondContact O-N 2.78Å; F463-Q465 PolarHBondContact O-N 3.05Å; F463-Q472 WeakPolarHBondContact CE1-O 3.48Å; F463-Q472 WeakPolarHBondContact CE2-O 3.23Å; F463-Q472 WeakPolarHBondContact CZ-O 3.23Å; F463-L477 HydrophobicContact CE1-CD1 4.11Å; F463-L477 HydrophobicContact CE2-CD1 4.28Å; F463-L477 HydrophobicContact CZ-CD1 3.39Å; F463-L477 HydrophobicContact CZ-CG 4.27Å | ||
| 464 | P | 49.3 | Very low | 56.6 | Low | 64.5 Ų | 64.5 | 68.1 Ų | 68.1 | 42% | 0.419 | 37% | 0.365 | S | S | . | . | trans | -70.8 | -25.9 | 173 | -3.4 | 4.2 | 0 | 0 | 0 | 114.9 | R460 E461 I462 | R460-P464 VanDerWaalsContact O-CA 3.31Å; R460-P464 WeakPolarHBondContact O-CA 3.21Å; R460-P464 WeakPolarHBondContact O-CD 3.49Å; R460-P464 WeakPolarHBondContact O-CG 3.36Å; E461-P464 WeakPolarHBondContact O-CD 3.35Å; I462-P464 WeakPolarHBondContact O-CD 3.21Å | ||
| 465 | Q | 45 | Very low | 56.5 | Low | 78 Ų | 78 | 72.7 Ų | 72.7 | 36% | 0.364 | 39% | 0.386 | S | S | . | . | S | Bend | trans | -140.8 | 127.4 | -167.9 | -63.2 | -179.8 | 13 | 0 | 0 | 112.4 | F463 N1133 | F463-Q465 PolarHBondContact O-N 3.05Å; Q465-N1133 PolarHBondContact OE1-O 3.03Å |
| 466 | I | 38.8 | Very low | 56.2 | Low | 84.5 Ų | 84.5 | 73.3 Ų | 73.3 | 43% | 0.433 | 39% | 0.392 | S | S | . | . | trans | 91.7 | 87.2 | 173.3 | -45.4 | 151.9 | 0 | 0 | 0 | 116.1 | G468 P1038 | I466-G468 PolarHBondContact O-N 3.25Å; I466-P1038 HydrophobicContact CG2-CB 4.18Å; I466-P1038 HydrophobicContact CG2-CG 3.55Å | ||
| 467 | I | 35.6 | Very low | 56.4 | Low | 140 Ų | 140 | 72.1 Ų | 72.1 | 72% | 0.718 | 38% | 0.381 | S | S | * | . | trans | -84.2 | 101.4 | 151.1 | -60.3 | 173.8 | 0 | 0 | 0 | 105.9 | ||||
| 468 | G | 38.3 | Very low | 56.4 | Low | 35 Ų | 35 | 69.3 Ų | 69.3 | 36% | 0.361 | 36% | 0.36 | S | S | . | . | trans | -156.1 | 66.6 | 168 | 0 | 0 | 0 | 0 | 0 | 114.7 | I466 N470 S471 | I466-G468 PolarHBondContact O-N 3.25Å; G468-N470 PolarHBondContact O-N 3.18Å; G468-S471 PolarHBondContact O-N 3.29Å; G468-S471 PolarHBondContact O-OG 3.36Å | ||
| 469 | Q | 43 | Very low | 56.1 | Low | 136.5 Ų | 136.5 | 72.4 Ų | 72.4 | 64% | 0.638 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.1 | 55.8 | -175.9 | -100.3 | 179.6 | -4.7 | 0 | 0 | 116.9 | S471 P1038 | Q469-S471 WeakPolarHBondContact O-CB 3.18Å; Q469-S471 PolarHBondContact O-N 3.22Å; Q469-P1038 HydrophobicContact CB-CG 4.33Å |
| 470 | N | 44.7 | Very low | 55.8 | Low | 156.5 Ų | 156.5 | 72.4 Ų | 72.4 | 84% | 0.837 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -43.9 | 14.2 | 168.1 | -75.2 | 13.2 | 0 | 0 | 0 | 118.7 | G468 Q472 | G468-N470 PolarHBondContact O-N 3.18Å; N470-Q472 PolarHBondContact O-N 3.26Å |
| 471 | S | 44.2 | Very low | 56.1 | Low | 48 Ų | 48 | 64.3 Ų | 64.3 | 34% | 0.336 | 35% | 0.35 | S | S | . | . | P | Polyproline II helix | trans | -19.9 | 113.1 | 133.3 | 62.8 | 0 | 0 | 0 | 0 | 112 | G468 Q469 S473 | G468-S471 PolarHBondContact O-N 3.29Å; G468-S471 PolarHBondContact O-OG 3.36Å; Q469-S471 WeakPolarHBondContact O-CB 3.18Å; Q469-S471 PolarHBondContact O-N 3.22Å; S471-S473 PolarHBondContact O-N 2.83Å |
| 472 | Q | 50.9 | Low | 55.9 | Low | 82.5 Ų | 82.5 | 63.2 Ų | 63.2 | 39% | 0.386 | 35% | 0.346 | S | S | . | . | P | Polyproline II helix | trans | -75.9 | 118.3 | 170.8 | -74.3 | 173.2 | -70.9 | 0 | 0 | 112.3 | F463 N470 S476 L477 E480 | F463-Q472 WeakPolarHBondContact CE1-O 3.48Å; F463-Q472 WeakPolarHBondContact CE2-O 3.23Å; F463-Q472 WeakPolarHBondContact CZ-O 3.23Å; N470-Q472 PolarHBondContact O-N 3.26Å; Q472-S476 VanDerWaalsContact C-OG 3.29Å; Q472-S476 VanDerWaalsContact CA-OG 3.32Å; Q472-S476 WeakPolarHBondContact CA-OG 3.38Å; Q472-S476 WeakPolarHBondContact CB-OG 3.2Å; Q472-L477 HydrophobicContact CB-CD1 4.35Å; Q472-L477 HydrophobicContact CB-CD2 4.3Å; Q472-L477 HydrophobicContact CB-CG 4.24Å; Q472-L477 WeakPolarHBondContact O-CD1 3.47Å; Q472-L477 VanDerWaalsContact OE1-CD2 3.3Å; Q472-E480 PolarHBondContact NE2-OE1 3.14Å; Q472-E480 PolarHBondContact NE2-OE2 2.86Å |
| 473 | S | 61.4 | Low | 56 | Low | 47.5 Ų | 47.5 | 68.5 Ų | 68.5 | 33% | 0.332 | 38% | 0.375 | S | S | . | . | P | Polyproline II helix | trans | -63.5 | 167.3 | -173.2 | 65.7 | 0 | 0 | 0 | 0 | 114.9 | E459 S471 L475 S476 L477 | E459-S473 WeakPolarHBondContact OE1-CA 3.41Å; E459-S473 WeakPolarHBondContact OE1-CB 3.5Å; S471-S473 PolarHBondContact O-N 2.83Å; S473-L475 PolarHBondContact O-N 3.07Å; S473-L475 WeakPolarHBondContact OG-CB 3.47Å; S473-L475 PolarHBondContact OG-N 2.99Å; S473-S476 VanDerWaalsContact N-CB 3.3Å; S473-S476 PolarHBondContact N-OG 3.19Å; S473-S476 CarbonylContact O-C 3.6Å; S473-S476 WeakPolarHBondContact O-CA 3.3Å; S473-S476 PolarHBondContact O-N 3.14Å; S473-S476 PolarHBondContact O-OG 2.6Å; S473-S476 PolarHBondContact OG-N 3.08Å; S473-S476 VanDerWaalsContact OG-N 3.16Å; S473-L477 WeakPolarHBondContact O-CD1 3.34Å; S473-L477 PolarHBondContact O-N 2.84Å; S473-L477 VanDerWaalsContact O-N 3.07Å |
| 474 | L | 70.1 | Confident | 56 | Low | 13.5 Ų | 13.5 | 73.1 Ų | 73.1 | 7% | 0.071 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -49.3 | -47.8 | 166.8 | 168.4 | 58.6 | 0 | 0 | 0 | 109.8 | I422 F426 L455 L458 E459 I462 S476 L477 L478 | I422-L474 HydrophobicContact CG2-CD1 3.9Å; F426-L474 HydrophobicContact CD2-CD1 4Å; F426-L474 HydrophobicContact CE2-CD1 4.35Å; F426-L474 HydrophobicContact CE2-CD2 4.35Å; L455-L474 HydrophobicContact CD2-CD2 4.23Å; L458-L474 HydrophobicContact CD2-CD2 3.94Å; L458-L474 HydrophobicContact CG-CD2 4.2Å; E459-L474 HydrophobicContact CB-CB 4.06Å; E459-L474 HydrophobicContact CB-CD2 4.36Å; E459-L474 HydrophobicContact CG-CB 3.94Å; E459-L474 WeakPolarHBondContact OE1-CB 3.32Å; E459-L474 PolarHBondContact OE1-N 2.86Å; I462-L474 HydrophobicContact CD1-CD1 3.63Å; L474-S476 PolarHBondContact O-N 3.18Å; L474-L477 CarbonylContact O-C 3.59Å; L474-L477 PolarHBondContact O-N 3.3Å; L474-L478 HydrophobicContact CD1-CD1 4.05Å; L474-L478 HydrophobicContact CD1-CD2 3.79Å; L474-L478 HydrophobicContact CD1-CG 3.94Å; L474-L478 HydrophobicContact CD2-CD1 4.46Å; L474-L478 HydrophobicContact CG-CD1 4.08Å; L474-L478 HydrophobicContact CG-CG 4.15Å; L474-L478 WeakPolarHBondContact O-CG 3.42Å; L474-L478 PolarHBondContact O-N 3.14Å |
| 475 | L | 64.1 | Low | 56.3 | Low | 126.5 Ų | 126.5 | 71.9 Ų | 71.9 | 66% | 0.662 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -59.9 | -41.2 | 179.8 | -156 | 73.3 | 0 | 0 | 0 | 110.7 | S473 L477 L478 V479 | S473-L475 PolarHBondContact O-N 3.07Å; S473-L475 WeakPolarHBondContact OG-CB 3.47Å; S473-L475 PolarHBondContact OG-N 2.99Å; L475-L477 VanDerWaalsContact C-N 3.32Å; L475-L477 PolarHBondContact O-N 3.26Å; L475-L478 PolarHBondContact O-N 3.11Å; L475-V479 WeakPolarHBondContact O-CB 3.32Å; L475-V479 VanDerWaalsContact O-CG2 3.29Å; L475-V479 WeakPolarHBondContact O-CG2 3.42Å; L475-V479 PolarHBondContact O-N 2.99Å |
| 476 | S | 62.4 | Low | 57.1 | Low | 39 Ų | 39 | 70.3 Ų | 70.3 | 27% | 0.273 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -71.2 | -18.8 | 177.3 | 108.4 | 0 | 0 | 0 | 0 | 114.2 | Q472 S473 L474 V479 E480 | Q472-S476 VanDerWaalsContact C-OG 3.29Å; Q472-S476 VanDerWaalsContact CA-OG 3.32Å; Q472-S476 WeakPolarHBondContact CA-OG 3.38Å; Q472-S476 WeakPolarHBondContact CB-OG 3.2Å; S473-S476 VanDerWaalsContact N-CB 3.3Å; S473-S476 PolarHBondContact N-OG 3.19Å; S473-S476 CarbonylContact O-C 3.6Å; S473-S476 WeakPolarHBondContact O-CA 3.3Å; S473-S476 PolarHBondContact O-N 3.14Å; S473-S476 PolarHBondContact O-OG 2.6Å; S473-S476 PolarHBondContact OG-N 3.08Å; S473-S476 VanDerWaalsContact OG-N 3.16Å; L474-S476 PolarHBondContact O-N 3.18Å; S476-V479 PolarHBondContact O-N 3.03Å; S476-E480 WeakPolarHBondContact O-CB 3.25Å; S476-E480 PolarHBondContact O-N 3.34Å |
| 477 | L | 67.7 | Low | 57.8 | Low | 9 Ų | 9 | 73.6 Ų | 73.6 | 5% | 0.047 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -90.1 | -29.1 | 168 | -80.2 | 133.5 | 0 | 0 | 0 | 114.1 | L419 I422 I462 F463 Q472 S473 L474 L475 V479 E480 A481 | L419-L477 HydrophobicContact CD1-CB 4.08Å; L419-L477 HydrophobicContact CD1-CD2 3.83Å; L419-L477 WeakPolarHBondContact CD1-O 3.27Å; I422-L477 HydrophobicContact CB-CD2 4.42Å; I422-L477 HydrophobicContact CD1-CD1 3.55Å; I422-L477 HydrophobicContact CD1-CD2 3.95Å; I422-L477 HydrophobicContact CG1-CD2 4.31Å; I422-L477 HydrophobicContact CG2-CB 4.33Å; I422-L477 HydrophobicContact CG2-CD1 4.38Å; I422-L477 HydrophobicContact CG2-CD2 3.95Å; I462-L477 HydrophobicContact CG2-CD1 4.4Å; F463-L477 HydrophobicContact CE1-CD1 4.11Å; F463-L477 HydrophobicContact CE2-CD1 4.28Å; F463-L477 HydrophobicContact CZ-CD1 3.39Å; F463-L477 HydrophobicContact CZ-CG 4.27Å; Q472-L477 HydrophobicContact CB-CD1 4.35Å; Q472-L477 HydrophobicContact CB-CD2 4.3Å; Q472-L477 HydrophobicContact CB-CG 4.24Å; Q472-L477 WeakPolarHBondContact O-CD1 3.47Å; Q472-L477 VanDerWaalsContact OE1-CD2 3.3Å; S473-L477 WeakPolarHBondContact O-CD1 3.34Å; S473-L477 PolarHBondContact O-N 2.84Å; S473-L477 VanDerWaalsContact O-N 3.07Å; L474-L477 CarbonylContact O-C 3.59Å; L474-L477 PolarHBondContact O-N 3.3Å; L475-L477 VanDerWaalsContact C-N 3.32Å; L475-L477 PolarHBondContact O-N 3.26Å; L477-V479 VanDerWaalsContact C-N 3.31Å; L477-E480 HydrophobicContact CG-CB 4.27Å; L477-E480 PolarHBondContact O-N 3.14Å; L477-A481 WeakPolarHBondContact O-CB 3.4Å; L477-A481 PolarHBondContact O-N 3.31Å |
| 478 | L | 69 | Low | 58.8 | Low | 11.5 Ų | 11.5 | 71.5 Ų | 71.5 | 6% | 0.06 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -62.3 | -40.7 | 164.5 | -63.1 | 177.5 | 0 | 0 | 0 | 109.2 | V423 F426 L474 L475 A481 I482 V489 | V423-L478 HydrophobicContact CG2-CD2 4.26Å; F426-L478 HydrophobicContact CB-CD2 4.09Å; F426-L478 HydrophobicContact CD1-CD1 4.28Å; F426-L478 HydrophobicContact CD1-CD2 3.63Å; F426-L478 HydrophobicContact CD1-CG 4.49Å; F426-L478 HydrophobicContact CD2-CD1 3.93Å; F426-L478 HydrophobicContact CD2-CD2 4.17Å; F426-L478 HydrophobicContact CE1-CD1 3.99Å; F426-L478 HydrophobicContact CE1-CD2 4.04Å; F426-L478 HydrophobicContact CE1-CG 4.3Å; F426-L478 HydrophobicContact CE2-CD1 3.64Å; F426-L478 HydrophobicContact CE2-CD2 4.12Å; F426-L478 HydrophobicContact CE2-CG 4.45Å; F426-L478 HydrophobicContact CG-CD1 3.93Å; F426-L478 HydrophobicContact CG-CD2 3.69Å; F426-L478 HydrophobicContact CZ-CD1 3.66Å; F426-L478 HydrophobicContact CZ-CD2 3.98Å; F426-L478 HydrophobicContact CZ-CG 4.29Å; L474-L478 HydrophobicContact CD1-CD1 4.05Å; L474-L478 HydrophobicContact CD1-CD2 3.79Å; L474-L478 HydrophobicContact CD1-CG 3.94Å; L474-L478 HydrophobicContact CD2-CD1 4.46Å; L474-L478 HydrophobicContact CG-CD1 4.08Å; L474-L478 HydrophobicContact CG-CG 4.15Å; L474-L478 WeakPolarHBondContact O-CG 3.42Å; L474-L478 PolarHBondContact O-N 3.14Å; L475-L478 PolarHBondContact O-N 3.11Å; L478-A481 PolarHBondContact O-N 3.04Å; L478-I482 WeakPolarHBondContact O-CB 3.42Å; L478-I482 VanDerWaalsContact O-CD1 3.22Å; L478-I482 WeakPolarHBondContact O-CD1 3.46Å; L478-I482 VanDerWaalsContact O-CG1 3.24Å; L478-I482 WeakPolarHBondContact O-CG1 3.16Å; L478-I482 PolarHBondContact O-N 3Å; L478-V489 HydrophobicContact CB-CG1 4.47Å; L478-V489 HydrophobicContact CD2-CG1 4.31Å |
| 479 | V | 66.6 | Low | 59.7 | Low | 70.5 Ų | 70.5 | 71 Ų | 71 | 43% | 0.427 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -66.3 | -45.9 | 172.7 | 171.3 | 0 | 0 | 0 | 0 | 112.1 | L475 S476 L477 A481 I482 N483 | L475-V479 WeakPolarHBondContact O-CB 3.32Å; L475-V479 VanDerWaalsContact O-CG2 3.29Å; L475-V479 WeakPolarHBondContact O-CG2 3.42Å; L475-V479 PolarHBondContact O-N 2.99Å; S476-V479 PolarHBondContact O-N 3.03Å; L477-V479 VanDerWaalsContact C-N 3.31Å; V479-A481 VanDerWaalsContact C-N 3.31Å; V479-A481 PolarHBondContact O-N 3.03Å; V479-I482 PolarHBondContact O-N 3.12Å; V479-N483 WeakPolarHBondContact CG1-ND2 3.38Å; V479-N483 VanDerWaalsContact O-CB 3.26Å; V479-N483 WeakPolarHBondContact O-CB 3.39Å; V479-N483 PolarHBondContact O-N 3.27Å; V479-N483 PolarHBondContact O-ND2 3.19Å; V479-N483 PolarHBondContact O-OD1 3.2Å |
| 480 | E | 63.9 | Low | 60.3 | Low | 65.5 Ų | 65.5 | 67.4 Ų | 67.4 | 31% | 0.306 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -60.2 | -41.1 | 175.3 | -167.6 | 173 | -140 | 0 | 0 | 111.3 | L419 Q472 S476 L477 I482 N483 D484 | L419-E480 HydrophobicContact CD2-CB 4.47Å; L419-E480 HydrophobicContact CD2-CG 4.15Å; Q472-E480 PolarHBondContact NE2-OE1 3.14Å; Q472-E480 PolarHBondContact NE2-OE2 2.86Å; S476-E480 WeakPolarHBondContact O-CB 3.25Å; S476-E480 PolarHBondContact O-N 3.34Å; L477-E480 HydrophobicContact CG-CB 4.27Å; L477-E480 PolarHBondContact O-N 3.14Å; E480-I482 PolarHBondContact O-N 3.44Å; E480-N483 PolarHBondContact O-N 3.26Å; E480-D484 WeakPolarHBondContact O-CB 3.3Å; E480-D484 PolarHBondContact O-N 2.86Å |
| 481 | A | 69.9 | Low | 60.4 | Low | 3.5 Ų | 3.5 | 66.4 Ų | 66.4 | 3% | 0.029 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -68.9 | -35.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | L419 V423 L477 L478 V479 N483 G485 V486 V489 | L419-A481 HydrophobicContact CD1-CB 4.33Å; L419-A481 HydrophobicContact CD2-CB 3.87Å; L419-A481 HydrophobicContact CG-CB 3.83Å; V423-A481 HydrophobicContact CB-CB 4.5Å; V423-A481 HydrophobicContact CG1-CB 4.32Å; V423-A481 HydrophobicContact CG2-CB 3.38Å; V423-A481 VanDerWaalsContact CG2-CB 3.41Å; L477-A481 WeakPolarHBondContact O-CB 3.4Å; L477-A481 PolarHBondContact O-N 3.31Å; L478-A481 PolarHBondContact O-N 3.04Å; V479-A481 VanDerWaalsContact C-N 3.31Å; V479-A481 PolarHBondContact O-N 3.03Å; A481-N483 VanDerWaalsContact C-N 3.34Å; A481-G485 PolarHBondContact O-N 3.17Å; A481-V486 HydrophobicContact CB-CB 4.09Å; A481-V486 HydrophobicContact CB-CG2 4.08Å; A481-V486 WeakPolarHBondContact O-CB 3.3Å; A481-V486 PolarHBondContact O-N 3.08Å; A481-V489 HydrophobicContact CB-CG2 4.48Å |
| 482 | I | 63.1 | Low | 60.2 | Low | 80.5 Ų | 80.5 | 69.9 Ų | 69.9 | 41% | 0.413 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -65.7 | -41.6 | 172.3 | -73.4 | 164.1 | 0 | 0 | 0 | 109.8 | L478 V479 E480 D484 G485 V489 L491 | L478-I482 WeakPolarHBondContact O-CB 3.42Å; L478-I482 VanDerWaalsContact O-CD1 3.22Å; L478-I482 WeakPolarHBondContact O-CD1 3.46Å; L478-I482 VanDerWaalsContact O-CG1 3.24Å; L478-I482 WeakPolarHBondContact O-CG1 3.16Å; L478-I482 PolarHBondContact O-N 3Å; V479-I482 PolarHBondContact O-N 3.12Å; E480-I482 PolarHBondContact O-N 3.44Å; I482-D484 VanDerWaalsContact C-N 3.35Å; I482-D484 PolarHBondContact O-N 3.19Å; I482-G485 PolarHBondContact O-N 3.24Å; I482-V489 HydrophobicContact CD1-CG1 4.27Å; I482-V489 HydrophobicContact CG1-CB 4.2Å; I482-V489 HydrophobicContact CG1-CG1 4.43Å; I482-V489 HydrophobicContact CG1-CG2 4.08Å; I482-L491 HydrophobicContact CD1-CD1 4.28Å |
| 483 | N | 64 | Low | 59.3 | Low | 122.5 Ų | 122.5 | 71.1 Ų | 71.1 | 66% | 0.655 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -69 | -38.2 | 178.5 | -68.4 | -21.7 | 0 | 0 | 0 | 112.4 | V479 E480 A481 G485 | V479-N483 WeakPolarHBondContact CG1-ND2 3.38Å; V479-N483 VanDerWaalsContact O-CB 3.26Å; V479-N483 WeakPolarHBondContact O-CB 3.39Å; V479-N483 PolarHBondContact O-N 3.27Å; V479-N483 PolarHBondContact O-ND2 3.19Å; V479-N483 PolarHBondContact O-OD1 3.2Å; E480-N483 PolarHBondContact O-N 3.26Å; A481-N483 VanDerWaalsContact C-N 3.34Å; N483-G485 PolarHBondContact O-N 3.23Å |
| 484 | D | 63.6 | Low | 57.8 | Low | 120 Ų | 120 | 75.8 Ų | 75.8 | 64% | 0.642 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.1 | 2.7 | 176.2 | -83.6 | 4.8 | 0 | 0 | 0 | 113.4 | E480 I482 V486 | E480-D484 WeakPolarHBondContact O-CB 3.3Å; E480-D484 PolarHBondContact O-N 2.86Å; I482-D484 VanDerWaalsContact C-N 3.35Å; I482-D484 PolarHBondContact O-N 3.19Å; D484-V486 VanDerWaalsContact C-N 3.35Å; D484-V486 HydrophobicContact CB-CG2 4.41Å; D484-V486 PolarHBondContact O-N 2.97Å |
| 485 | G | 55.1 | Low | 55.8 | Low | 38.5 Ų | 38.5 | 82 Ų | 82 | 40% | 0.397 | 45% | 0.451 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 70.5 | 30 | 175 | 0 | 0 | 0 | 0 | 0 | 114.2 | A481 I482 N483 N487 | A481-G485 PolarHBondContact O-N 3.17Å; I482-G485 PolarHBondContact O-N 3.24Å; N483-G485 PolarHBondContact O-N 3.23Å; G485-N487 VanDerWaalsContact C-N 3.31Å; G485-N487 PolarHBondContact O-N 3.03Å; G485-N487 PolarHBondContact O-ND2 3.09Å; G485-N487 PolarHBondContact O-OD1 2.98Å |
| 486 | V | 63.7 | Low | 54.1 | Low | 46 Ų | 46 | 82.2 Ų | 82.2 | 28% | 0.279 | 46% | 0.458 | S | S | . | . | trans | -73 | 89.4 | 173.9 | -172 | 0 | 0 | 0 | 0 | 108.7 | T420 V423 A481 D484 N488 | T420-V486 HydrophobicContact CG2-CG1 3.98Å; V423-V486 HydrophobicContact CB-CG1 4.25Å; V423-V486 HydrophobicContact CG1-CB 4.36Å; V423-V486 HydrophobicContact CG1-CG1 4.06Å; V423-V486 HydrophobicContact CG2-CG1 4.21Å; A481-V486 HydrophobicContact CB-CB 4.09Å; A481-V486 HydrophobicContact CB-CG2 4.08Å; A481-V486 WeakPolarHBondContact O-CB 3.3Å; A481-V486 PolarHBondContact O-N 3.08Å; D484-V486 VanDerWaalsContact C-N 3.35Å; D484-V486 HydrophobicContact CB-CG2 4.41Å; D484-V486 PolarHBondContact O-N 2.97Å; V486-N488 PolarHBondContact O-N 3.21Å | ||
| 487 | N | 52.5 | Low | 52.4 | Low | 154 Ų | 154 | 87.2 Ų | 87.2 | 82% | 0.824 | 48% | 0.48 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | 26.2 | -162.2 | -72.1 | -45.8 | 0 | 0 | 0 | 118.5 | G485 | G485-N487 VanDerWaalsContact C-N 3.31Å; G485-N487 PolarHBondContact O-N 3.03Å; G485-N487 PolarHBondContact O-ND2 3.09Å; G485-N487 PolarHBondContact O-OD1 2.98Å |
| 488 | N | 55.8 | Low | 50.4 | Low | 95 Ų | 95 | 93.6 Ų | 93.6 | 51% | 0.508 | 51% | 0.514 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -132.4 | 5.3 | -173.8 | -83.1 | -27.5 | 0 | 0 | 0 | 116.2 | N427 V486 N490 | N427-N488 VanDerWaalsContact CG-O 3.26Å; N427-N488 PolarHBondContact ND2-O 3.31Å; N427-N488 VanDerWaalsContact ND2-O 3.13Å; N427-N488 PolarHBondContact OD1-O 3.24Å; V486-N488 PolarHBondContact O-N 3.21Å; N488-N490 PolarHBondContact O-N 3.12Å; N488-N490 VanDerWaalsContact O-N 3.08Å |
| 489 | V | 58.3 | Low | 48.5 | Very low | 25 Ų | 25 | 100.5 Ų | 100.5 | 15% | 0.152 | 55% | 0.549 | C | S | . | . | trans | -68.6 | 104 | -178 | -173 | 0 | 0 | 0 | 0 | 111.3 | V423 F426 N427 L478 A481 I482 L491 | V423-V489 HydrophobicContact CG1-CG2 3.78Å; V423-V489 HydrophobicContact CG2-CG2 3.98Å; F426-V489 HydrophobicContact CD1-CG1 4.3Å; F426-V489 HydrophobicContact CE1-CG1 3.96Å; N427-V489 WeakPolarHBondContact OD1-CA 3.44Å; L478-V489 HydrophobicContact CB-CG1 4.47Å; L478-V489 HydrophobicContact CD2-CG1 4.31Å; A481-V489 HydrophobicContact CB-CG2 4.48Å; I482-V489 HydrophobicContact CD1-CG1 4.27Å; I482-V489 HydrophobicContact CG1-CB 4.2Å; I482-V489 HydrophobicContact CG1-CG1 4.43Å; I482-V489 HydrophobicContact CG1-CG2 4.08Å; V489-L491 HydrophobicContact CG1-CG 4.36Å; V489-L491 PolarHBondContact O-N 3.02Å; V489-L491 VanDerWaalsContact O-N 3.16Å | ||
| 490 | N | 54.7 | Low | 46.5 | Very low | 61 Ų | 61 | 107.9 Ų | 107.9 | 33% | 0.326 | 57% | 0.569 | S | S | . | * | trans | -75.6 | 91.2 | -176.1 | -87.6 | -12.7 | 0 | 0 | 0 | 112.2 | N427 L430 N488 F492 | N427-N490 PolarHBondContact OD1-N 3.22Å; L430-N490 HydrophobicContact CD1-CB 3.94Å; L430-N490 WeakPolarHBondContact CD1-O 3.5Å; N488-N490 PolarHBondContact O-N 3.12Å; N488-N490 VanDerWaalsContact O-N 3.08Å; N490-F492 HydrophobicContact CB-CD2 4.08Å; N490-F492 HydrophobicContact CB-CE2 3.91Å; N490-F492 PolarHBondContact O-N 2.98Å | ||
| 491 | L | 47.2 | Very low | 44.7 | Very low | 134 Ų | 134 | 114 Ų | 114 | 70% | 0.702 | 60% | 0.595 | S | S | * | * | trans | -86.1 | 89.7 | 175.8 | -68.9 | 165.8 | 0 | 0 | 0 | 111.1 | I482 V489 | I482-L491 HydrophobicContact CD1-CD1 4.28Å; V489-L491 HydrophobicContact CG1-CG 4.36Å; V489-L491 PolarHBondContact O-N 3.02Å; V489-L491 VanDerWaalsContact O-N 3.16Å | ||
| 492 | F | 39.4 | Very low | 42.6 | Very low | 121.5 Ų | 121.5 | 120 Ų | 120 | 53% | 0.533 | 63% | 0.627 | S | S | . | * | trans | -82.1 | 135.3 | 172.8 | -83.3 | -80.7 | 0 | 0 | 0 | 111.9 | Q434 N490 L494 | Q434-F492 VanDerWaalsContact NE2-CE1 3.33Å; Q434-F492 VanDerWaalsContact NE2-CE2 3.34Å; Q434-F492 VanDerWaalsContact OE1-CE2 3.29Å; N490-F492 HydrophobicContact CB-CD2 4.08Å; N490-F492 HydrophobicContact CB-CE2 3.91Å; N490-F492 PolarHBondContact O-N 2.98Å; F492-L494 PolarHBondContact O-N 3.12Å | ||
| 493 | P | 33.6 | Very low | 41.1 | Very low | 109 Ų | 109 | 124.5 Ų | 124.5 | 71% | 0.708 | 64% | 0.643 | S | S | * | * | trans | -84.1 | 107 | -179.2 | 31.5 | -31.9 | 0 | 0 | 0 | 112.1 | N495 | P493-N495 PolarHBondContact O-N 3.15Š| ||
| 494 | L | 29.5 | Very low | 39.3 | Very low | 146.5 Ų | 146.5 | 126.1 Ų | 126.1 | 77% | 0.767 | 65% | 0.65 | S | S | * | * | trans | -74.3 | 92.7 | 170.8 | -91.5 | 135.9 | 0 | 0 | 0 | 111 | L451 F492 V496 | L451-L494 HydrophobicContact CD2-CD1 3.41Å; L451-L494 VanDerWaalsContact CD2-CD1 3.41Å; F492-L494 PolarHBondContact O-N 3.12Å; L494-V496 HydrophobicContact CB-CG2 4.41Å; L494-V496 HydrophobicContact CD2-CG2 4.22Å; L494-V496 PolarHBondContact O-N 3.07Å | ||
| 495 | N | 27.3 | Very low | 37.8 | Very low | 142.5 Ų | 142.5 | 125.6 Ų | 125.6 | 76% | 0.762 | 65% | 0.653 | S | S | * | * | trans | -79.6 | 99.5 | 171 | -88.4 | -25.5 | 0 | 0 | 0 | 111 | P493 I497 | P493-N495 PolarHBondContact O-N 3.15Å; N495-I497 VanDerWaalsContact C-N 3.26Å; N495-I497 PolarHBondContact O-N 3.11Å | ||
| 496 | V | 28.1 | Very low | 36.5 | Very low | 132 Ų | 132 | 130.7 Ų | 130.7 | 80% | 0.8 | 67% | 0.672 | S | S | * | * | trans | -102.2 | 43.9 | 166.6 | -171.1 | 0 | 0 | 0 | 0 | 110.4 | L494 | L494-V496 HydrophobicContact CB-CG2 4.41Å; L494-V496 HydrophobicContact CD2-CG2 4.22Å; L494-V496 PolarHBondContact O-N 3.07Å | ||
| 497 | I | 26.5 | Very low | 34.8 | Very low | 143.5 Ų | 143.5 | 136.3 Ų | 136.3 | 74% | 0.736 | 70% | 0.695 | S | S | * | * | trans | -116.5 | 112.6 | 170 | -58.9 | 176 | 0 | 0 | 0 | 107.9 | N495 I499 | N495-I497 VanDerWaalsContact C-N 3.26Å; N495-I497 PolarHBondContact O-N 3.11Å; I497-I499 PolarHBondContact O-N 3.47Å | ||
| 498 | D | 27.4 | Very low | 33.7 | Very low | 144 Ų | 144 | 135.2 Ų | 135.2 | 77% | 0.77 | 69% | 0.689 | S | S | * | * | trans | -106 | 98.9 | 161.9 | -81.9 | -53 | 0 | 0 | 0 | 112.3 | R500 | D498-R500 VanDerWaalsContact C-N 3.33Å; D498-R500 PolarHBondContact O-N 2.86Å | ||
| 499 | I | 28.7 | Very low | 32.4 | Very low | 155 Ų | 155 | 135.8 Ų | 135.8 | 80% | 0.795 | 70% | 0.7 | S | S | * | * | -44.8 | 63.1 | 116.1 | -47.1 | 178.6 | 0 | 0 | 0 | 110 | I497 | I497-I499 PolarHBondContact O-N 3.47Š| |||
| 500 | R | 24.3 | Very low | 31 | Very low | 226 Ų | 226 | 144.9 Ų | 144.9 | 85% | 0.853 | 73% | 0.734 | S | S | * | * | trans | -165.2 | 92.2 | 145.3 | -82.7 | 167.1 | -167.2 | -177.1 | 4.7 | 110.3 | D498 | D498-R500 VanDerWaalsContact C-N 3.33Å; D498-R500 PolarHBondContact O-N 2.86Å | ||
| 501 | K | 26.3 | Very low | 29.8 | Very low | 193.5 Ų | 193.5 | 147.1 Ų | 147.1 | 84% | 0.841 | 75% | 0.754 | S | S | * | * | trans | 176.2 | 122.9 | 133.9 | -95.5 | 155.1 | -170.6 | 175.9 | 0 | 112.3 | ||||
| 502 | D | 26.2 | Very low | 28.9 | Very low | 131 Ų | 131 | 149.6 Ų | 149.6 | 70% | 0.701 | 76% | 0.762 | S | S | * | * | trans | 56.3 | 115.8 | 143.8 | -68.2 | -45.4 | 0 | 0 | 0 | 121.6 | ||||
| 503 | K | 31.1 | Very low | 28.5 | Very low | 174.5 Ų | 174.5 | 149.1 Ų | 149.1 | 76% | 0.759 | 77% | 0.773 | S | S | * | * | trans | 95.2 | 111.3 | 130.3 | -71 | 175.8 | 179.6 | 142.3 | 0 | 120.5 | P505 | K503-P505 WeakPolarHBondContact O-CD 3.41Š| ||
| 504 | I | 26.8 | Very low | 28.3 | Very low | 155.5 Ų | 155.5 | 149.4 Ų | 149.4 | 80% | 0.797 | 78% | 0.778 | S | S | * | * | trans | 21.2 | 137.1 | 136.8 | -62.6 | 164.1 | 0 | 0 | 0 | 113.7 | ||||
| 505 | P | 31 | Very low | 28.7 | Very low | 109.5 Ų | 109.5 | 148.7 Ų | 148.7 | 71% | 0.711 | 78% | 0.782 | S | S | * | * | trans | -127.9 | 171.4 | 176.6 | 35.4 | -17.8 | 0 | 0 | 0 | 114.4 | K503 | K503-P505 WeakPolarHBondContact O-CD 3.41Š| ||
| 506 | D | 28.5 | Very low | 28.8 | Very low | 146 Ų | 146 | 145.6 Ų | 145.6 | 78% | 0.781 | 78% | 0.784 | S | S | * | * | trans | -153.4 | 145.1 | 166.9 | -69.5 | -40.6 | 0 | 0 | 0 | 118.9 | ||||
| 507 | E | 28.4 | Very low | 28.8 | Very low | 163.5 Ų | 163.5 | 149.2 Ų | 149.2 | 76% | 0.764 | 79% | 0.789 | S | S | * | * | trans | 42.4 | 127.6 | 147.3 | -64.9 | -163.7 | 160.3 | 0 | 0 | 124.4 | ||||
| 508 | N | 27.6 | Very low | 28.8 | Very low | 130.5 Ų | 130.5 | 149.3 Ų | 149.3 | 70% | 0.698 | 80% | 0.796 | S | S | * | * | trans | 81.5 | 105.2 | 133.9 | -60 | -34.8 | 0 | 0 | 0 | 121.6 | ||||
| 509 | S | 29.7 | Very low | 28.9 | Very low | 107.5 Ų | 107.5 | 145.6 Ų | 145.6 | 75% | 0.752 | 79% | 0.792 | S | S | * | * | 139.9 | 142.2 | 104.7 | 59.6 | 0 | 0 | 0 | 0 | 118.9 | |||||
| 510 | Y | 28.1 | Very low | 28.8 | Very low | 217 Ų | 217 | 144.4 Ų | 144.4 | 85% | 0.851 | 79% | 0.792 | S | S | * | * | trans | 8.5 | 116.9 | 162.1 | -70.6 | -84.5 | 0 | 0 | 0 | 118.7 | ||||
| 511 | S | 29.6 | Very low | 28.9 | Very low | 106.5 Ų | 106.5 | 141.2 Ų | 141.2 | 75% | 0.745 | 79% | 0.791 | S | S | * | * | 119 | 131.2 | 119.1 | 59.4 | 0 | 0 | 0 | 0 | 119.2 | |||||
| 512 | E | 28 | Very low | 29 | Very low | 186 Ų | 186 | 140 Ų | 140 | 87% | 0.869 | 79% | 0.787 | S | S | * | * | trans | 24.2 | 136.2 | 148.7 | -82.1 | 174 | -178.1 | 0 | 0 | 118.7 | ||||
| 513 | S | 31.7 | Very low | 28.9 | Very low | 111 Ų | 111 | 142.3 Ų | 142.3 | 78% | 0.776 | 79% | 0.794 | S | S | * | * | trans | 153.3 | 115.7 | 141.8 | 68.2 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 514 | S | 29.8 | Very low | 28.8 | Very low | 116 Ų | 116 | 142.8 Ų | 142.8 | 81% | 0.811 | 80% | 0.799 | S | S | * | * | trans | -2.8 | 160.1 | 156.3 | -4.3 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 515 | P | 36.8 | Very low | 28.9 | Very low | 131 Ų | 131 | 140.6 Ų | 140.6 | 85% | 0.851 | 80% | 0.798 | S | S | * | * | trans | -105.1 | 155.7 | -156 | 37.9 | -30.1 | 0 | 0 | 0 | 115.8 | ||||
| 516 | G | 29.3 | Very low | 28.7 | Very low | 79 Ų | 79 | 139.9 Ų | 139.9 | 81% | 0.814 | 80% | 0.796 | S | S | * | * | trans | -114.1 | 139.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 517 | K | 28.5 | Very low | 28.8 | Very low | 207.5 Ų | 207.5 | 139.2 Ų | 139.2 | 90% | 0.902 | 80% | 0.797 | S | S | * | * | trans | -74.5 | 149.7 | -171.7 | -70.2 | 171.4 | 175.6 | 175.7 | 0 | 114.7 | G519 | K517-G519 PolarHBondContact O-N 3.2Š| ||
| 518 | V | 27.8 | Very low | 29.1 | Very low | 144 Ų | 144 | 136.2 Ų | 136.2 | 87% | 0.873 | 79% | 0.793 | S | S | * | * | trans | 40.5 | 120.9 | 148.4 | 176.9 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 519 | G | 28.9 | Very low | 29.9 | Very low | 66.5 Ų | 66.5 | 140.7 Ų | 140.7 | 69% | 0.686 | 80% | 0.801 | S | S | * | * | trans | -142.4 | 123.4 | 166.5 | 0 | 0 | 0 | 0 | 0 | 111 | K517 L521 | K517-G519 PolarHBondContact O-N 3.2Å; G519-L521 PolarHBondContact O-N 2.96Å | ||
| 520 | V | 27.2 | Very low | 31.3 | Very low | 131 Ų | 131 | 141.9 Ų | 141.9 | 79% | 0.794 | 80% | 0.799 | S | S | * | * | trans | -107.1 | 125.1 | 177.3 | -176.1 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 521 | L | 25.6 | Very low | 33 | Very low | 159 Ų | 159 | 132.5 Ų | 132.5 | 83% | 0.832 | 76% | 0.763 | S | S | * | * | trans | -155.2 | 140.3 | 148.6 | -84.9 | 169.3 | 0 | 0 | 0 | 111.9 | G519 | G519-L521 PolarHBondContact O-N 2.96Š| ||
| 522 | H | 28.4 | Very low | 35.3 | Very low | 166.5 Ų | 166.5 | 130.7 Ų | 130.7 | 77% | 0.771 | 75% | 0.745 | S | S | * | * | trans | 14.1 | 136.6 | 175.9 | -80 | -78.3 | 0 | 0 | 0 | 117.4 | E524 | H522-E524 PolarHBondContact O-N 3.16Š| ||
| 523 | E | 24.8 | Very low | 37.7 | Very low | 180 Ų | 180 | 125.4 Ų | 125.4 | 84% | 0.841 | 73% | 0.727 | S | S | * | * | trans | -75.8 | 132 | 170.9 | -60.4 | 149.4 | 128.6 | 0 | 0 | 110.5 | ||||
| 524 | E | 28.4 | Very low | 39.8 | Very low | 185 Ų | 185 | 121.5 Ų | 121.5 | 86% | 0.864 | 71% | 0.705 | S | S | * | * | trans | -133.9 | 126.6 | 143.4 | -92.1 | -179.3 | -179.5 | 0 | 0 | 111.2 | H522 S526 | H522-E524 PolarHBondContact O-N 3.16Å; E524-S526 PolarHBondContact O-N 3.3Å | ||
| 525 | S | 29 | Very low | 42 | Very low | 109.5 Ų | 109.5 | 120.4 Ų | 120.4 | 77% | 0.766 | 69% | 0.689 | S | S | * | * | trans | -13.8 | 112.6 | 160.7 | 58.3 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 526 | S | 26.7 | Very low | 44.3 | Very low | 95.5 Ų | 95.5 | 114.2 Ų | 114.2 | 67% | 0.668 | 65% | 0.648 | S | S | * | * | trans | 145.1 | 116.6 | 143.8 | 72.9 | 0 | 0 | 0 | 0 | 117.8 | E524 | E524-S526 PolarHBondContact O-N 3.3Š| ||
| 527 | T | 29.9 | Very low | 46.7 | Very low | 131 Ų | 131 | 113.4 Ų | 113.4 | 80% | 0.804 | 62% | 0.623 | S | S | * | * | trans | 35.9 | 145.8 | 153 | 59.2 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 528 | S | 35 | Very low | 48.7 | Very low | 99.5 Ų | 99.5 | 107.2 Ų | 107.2 | 70% | 0.696 | 60% | 0.599 | S | S | * | * | trans | 51.5 | 93.2 | 168.8 | 60.8 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 529 | R | 45.1 | Very low | 51.1 | Low | 226 Ų | 226 | 101.6 Ų | 101.6 | 85% | 0.853 | 56% | 0.563 | S | S | * | * | trans | -69.7 | 131 | 142.6 | -71 | -179.8 | -179.7 | 166.5 | -0.2 | 107.5 | ||||
| 530 | D | 58.2 | Low | 53.5 | Low | 132 Ų | 132 | 98.4 Ų | 98.4 | 71% | 0.706 | 53% | 0.531 | S | S | * | . | trans | -66.9 | 135.1 | -178.2 | -101.8 | -44.7 | 0 | 0 | 0 | 111.5 | K569 | D530-K569 IonicContact OD1-NZ 3.37Å; D530-K569 PolarHBondContact OD1-NZ 3.27Å; D530-K569 VanDerWaalsContact OD1-NZ 3.13Å | ||
| 531 | I | 64.3 | Low | 55.6 | Low | 19 Ų | 19 | 97.7 Ų | 97.7 | 10% | 0.097 | 52% | 0.519 | C | S | . | . | trans | -80.3 | 117.9 | 177.8 | -62.3 | 158.1 | 0 | 0 | 0 | 107.5 | P533 V536 I564 S567 K569 L570 L573 | I531-P533 WeakPolarHBondContact O-CD 3.34Å; I531-V536 HydrophobicContact CG2-CG2 3.77Å; I531-I564 HydrophobicContact CG1-CG2 3.94Å; I531-I564 HydrophobicContact CG2-CD1 4.36Å; I531-S567 WeakPolarHBondContact CD1-OG 3.45Å; I531-K569 HydrophobicContact CD1-CB 4.01Å; I531-K569 HydrophobicContact CD1-CD 4.24Å; I531-K569 HydrophobicContact CD1-CG 4.22Å; I531-L570 HydrophobicContact CD1-CB 3.69Å; I531-L570 HydrophobicContact CD1-CD1 4.46Å; I531-L570 HydrophobicContact CG2-CD1 4.09Å; I531-L573 HydrophobicContact CG2-CD2 3.76Å | ||
| 532 | D | 77.9 | Confident | 57.3 | Low | 70.5 Ų | 70.5 | 96.2 Ų | 96.2 | 38% | 0.377 | 51% | 0.505 | S | S | . | . | trans | -71.7 | 113.4 | 170.5 | -179.7 | 4.9 | 0 | 0 | 0 | 109.7 | G534 L535 V536 | D532-G534 PolarHBondContact O-N 3.11Å; D532-G534 PolarHBondContact OD1-N 2.92Å; D532-G534 VanDerWaalsContact OD1-N 3.08Å; D532-L535 HydrophobicContact CB-CB 4.27Å; D532-L535 HydrophobicContact CB-CD1 4.31Å; D532-L535 PolarHBondContact O-N 3.45Å; D532-L535 WeakPolarHBondContact OD2-CB 3.39Å; D532-L535 WeakPolarHBondContact OD2-CD1 3.42Å; D532-L535 WeakPolarHBondContact OD2-CG 3.02Å; D532-L535 PolarHBondContact OD2-N 3.48Å; D532-L535 VanDerWaalsContact OD2-N 3.08Å; D532-V536 WeakPolarHBondContact O-CG2 3.42Å; D532-V536 PolarHBondContact O-N 3.25Å | ||
| 533 | P | 78.2 | Confident | 58.7 | Low | 74 Ų | 74 | 89.6 Ų | 89.6 | 48% | 0.481 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -61.2 | -32.2 | 179.6 | -22.9 | 36.1 | 0 | 0 | 0 | 113.1 | I531 V536 F537 L573 | I531-P533 WeakPolarHBondContact O-CD 3.34Å; P533-V536 PolarHBondContact O-N 3.26Å; P533-F537 WeakPolarHBondContact O-CB 3.28Å; P533-F537 PolarHBondContact O-N 2.84Å; P533-L573 HydrophobicContact CB-CD1 3.92Å; P533-L573 HydrophobicContact CB-CD2 4.42Å; P533-L573 HydrophobicContact CG-CD1 4.31Å |
| 534 | G | 75.7 | Confident | 60.1 | Low | 30 Ų | 30 | 84.8 Ų | 84.8 | 31% | 0.309 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -66.9 | -52.7 | -178.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | D532 V536 F537 D538 | D532-G534 PolarHBondContact O-N 3.11Å; D532-G534 PolarHBondContact OD1-N 2.92Å; D532-G534 VanDerWaalsContact OD1-N 3.08Å; G534-V536 VanDerWaalsContact C-N 3.3Å; G534-V536 PolarHBondContact O-N 2.83Å; G534-F537 PolarHBondContact O-N 3.34Å; G534-F537 VanDerWaalsContact O-N 3.08Å; G534-D538 WeakPolarHBondContact O-CB 3.2Å; G534-D538 PolarHBondContact O-N 2.98Å |
| 535 | L | 77.6 | Confident | 61.5 | Low | 92.5 Ų | 92.5 | 79.9 Ų | 79.9 | 48% | 0.484 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -58.4 | -39.2 | 177.2 | -88.1 | 167.4 | 0 | 0 | 0 | 113 | D532 F539 L562 | D532-L535 HydrophobicContact CB-CB 4.27Å; D532-L535 HydrophobicContact CB-CD1 4.31Å; D532-L535 PolarHBondContact O-N 3.45Å; D532-L535 WeakPolarHBondContact OD2-CB 3.39Å; D532-L535 WeakPolarHBondContact OD2-CD1 3.42Å; D532-L535 WeakPolarHBondContact OD2-CG 3.02Å; D532-L535 PolarHBondContact OD2-N 3.48Å; D532-L535 VanDerWaalsContact OD2-N 3.08Å; L535-F539 VanDerWaalsContact O-CB 3.23Å; L535-F539 WeakPolarHBondContact O-CB 3.21Å; L535-F539 PolarHBondContact O-N 2.88Å; L535-L562 HydrophobicContact CB-CD1 4.3Å; L535-L562 HydrophobicContact CD2-CD2 4.47Å |
| 536 | V | 83.7 | Confident | 63.3 | Low | 0 Ų | 0 | 75.7 Ų | 75.7 | 0% | 0 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -68.9 | -43.5 | 176.5 | -179.6 | 0 | 0 | 0 | 0 | 111.2 | I531 D532 P533 G534 F539 V540 V558 L562 I564 L570 L573 I574 I577 | I531-V536 HydrophobicContact CG2-CG2 3.77Å; D532-V536 WeakPolarHBondContact O-CG2 3.42Å; D532-V536 PolarHBondContact O-N 3.25Å; P533-V536 PolarHBondContact O-N 3.26Å; G534-V536 VanDerWaalsContact C-N 3.3Å; G534-V536 PolarHBondContact O-N 2.83Å; V536-F539 PolarHBondContact O-N 3.07Å; V536-V540 HydrophobicContact CG1-CG2 4.2Å; V536-V540 WeakPolarHBondContact O-CB 3.48Å; V536-V540 VanDerWaalsContact O-CG2 3.27Å; V536-V540 WeakPolarHBondContact O-CG2 3.43Å; V536-V540 PolarHBondContact O-N 3.18Å; V536-V558 HydrophobicContact CB-CG1 4.49Å; V536-V558 HydrophobicContact CG1-CG1 4.02Å; V536-V558 HydrophobicContact CG1-CG2 4.17Å; V536-V558 HydrophobicContact CG2-CG1 4.01Å; V536-L562 HydrophobicContact CB-CD1 4.49Å; V536-L562 HydrophobicContact CG2-CD1 4Å; V536-I564 HydrophobicContact CG2-CD1 3.89Å; V536-L570 HydrophobicContact CG1-CD1 4.15Å; V536-L570 HydrophobicContact CG2-CD1 4.06Å; V536-L573 HydrophobicContact CB-CD2 3.72Å; V536-L573 HydrophobicContact CG1-CD2 3.86Å; V536-L573 HydrophobicContact CG2-CD2 3.92Å; V536-I574 HydrophobicContact CG1-CG1 4.12Å; V536-I577 HydrophobicContact CB-CD1 4.34Å; V536-I577 HydrophobicContact CG1-CD1 3.77Å |
| 537 | F | 80.1 | Confident | 65.1 | Low | 62.5 Ų | 62.5 | 76.5 Ų | 76.5 | 27% | 0.274 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -60.2 | -50.5 | 175.3 | -176.1 | -84.2 | 0 | 0 | 0 | 111.3 | P533 G534 F539 V540 Q541 I577 I581 | P533-F537 WeakPolarHBondContact O-CB 3.28Å; P533-F537 PolarHBondContact O-N 2.84Å; G534-F537 PolarHBondContact O-N 3.34Å; G534-F537 VanDerWaalsContact O-N 3.08Å; F537-F539 VanDerWaalsContact C-N 3.3Å; F537-F539 PolarHBondContact O-N 2.78Å; F537-V540 PolarHBondContact O-N 3.06Å; F537-Q541 HydrophobicContact CE1-CB 4.44Å; F537-Q541 VanDerWaalsContact O-CB 3.3Å; F537-Q541 WeakPolarHBondContact O-CB 3.14Å; F537-Q541 PolarHBondContact O-N 2.98Å; F537-I577 HydrophobicContact CB-CD1 4.21Å; F537-I577 HydrophobicContact CD2-CB 4.34Å; F537-I577 HydrophobicContact CD2-CD1 4.4Å; F537-I577 HydrophobicContact CD2-CG1 4.03Å; F537-I577 HydrophobicContact CD2-CG2 3.94Å; F537-I577 HydrophobicContact CE2-CG2 4.09Å; F537-I581 HydrophobicContact CE2-CD1 4.49Å; F537-I581 HydrophobicContact CE2-CG1 4.38Å |
| 538 | D | 71.5 | Confident | 66.8 | Low | 77 Ų | 77 | 74.7 Ų | 74.7 | 41% | 0.412 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -59.6 | -39.9 | 179.6 | -96.1 | 23.9 | 0 | 0 | 0 | 112.1 | G534 K542 | G534-D538 WeakPolarHBondContact O-CB 3.2Å; G534-D538 PolarHBondContact O-N 2.98Å; D538-K542 WeakPolarHBondContact O-CD 3.2Å; D538-K542 WeakPolarHBondContact O-CE 3.17Å; D538-K542 VanDerWaalsContact O-CG 3.23Å; D538-K542 WeakPolarHBondContact O-CG 3.02Å; D538-K542 PolarHBondContact O-N 3.39Å; D538-K542 WeakPolarHBondContact OD2-CE 3.31Å; D538-K542 IonicContact OD2-NZ 2.75Å; D538-K542 PolarHBondContact OD2-NZ 3.5Å |
| 539 | F | 77.4 | Confident | 68.5 | Low | 26 Ų | 26 | 73.2 Ų | 73.2 | 11% | 0.114 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -69.6 | -48.3 | 176 | 176.7 | -102.6 | 0 | 0 | 0 | 111.6 | L535 V536 F537 Q541 K542 L543 L557 V558 H561 L562 | L535-F539 VanDerWaalsContact O-CB 3.23Å; L535-F539 WeakPolarHBondContact O-CB 3.21Å; L535-F539 PolarHBondContact O-N 2.88Å; V536-F539 PolarHBondContact O-N 3.07Å; F537-F539 VanDerWaalsContact C-N 3.3Å; F537-F539 PolarHBondContact O-N 2.78Å; F539-Q541 VanDerWaalsContact C-N 3.3Å; F539-Q541 PolarHBondContact O-N 3.12Å; F539-K542 PolarHBondContact O-N 2.98Å; F539-K542 VanDerWaalsContact O-N 3.13Å; F539-L543 HydrophobicContact CD1-CD1 4.36Å; F539-L543 HydrophobicContact CD1-CG 4.47Å; F539-L543 HydrophobicContact CE1-CD1 3.93Å; F539-L543 HydrophobicContact CE1-CD2 4.11Å; F539-L543 HydrophobicContact CE1-CG 4.22Å; F539-L543 HydrophobicContact CE2-CD2 4.3Å; F539-L543 HydrophobicContact CZ-CD1 4.42Å; F539-L543 HydrophobicContact CZ-CD2 3.82Å; F539-L543 HydrophobicContact CZ-CG 4.4Å; F539-L543 PolarHBondContact O-N 3.19Å; F539-L557 HydrophobicContact CE1-CB 4.14Å; F539-L557 HydrophobicContact CZ-CB 4.39Å; F539-V558 HydrophobicContact CD1-CG2 3.73Å; F539-V558 HydrophobicContact CE1-CB 4.49Å; F539-V558 HydrophobicContact CE1-CG2 3.94Å; F539-H561 HydrophobicContact CD2-CB 4.41Å; F539-H561 AromaticContact CD2-CD2 3.33Å; F539-H561 VanDerWaalsContact CD2-CD2 3.43Å; F539-H561 WeakPolarHBondContact CD2-CD2 3.39Å; F539-H561 AromaticContact CD2-CG 3.9Å; F539-H561 AromaticContact CD2-NE2 3.75Å; F539-H561 HydrophobicContact CE1-CB 4.25Å; F539-H561 HydrophobicContact CE2-CB 3.63Å; F539-H561 AromaticContact CE2-CD2 3.09Å; F539-H561 WeakPolarHBondContact CE2-CD2 3.37Å; F539-H561 AromaticContact CE2-CG 3.3Å; F539-H561 AromaticContact CE2-ND1 3.9Å; F539-H561 AromaticContact CE2-NE2 3.7Å; F539-H561 HydrophobicContact CZ-CB 3.5Å; F539-H561 VanDerWaalsContact CZ-CB 3.48Å; F539-H561 AromaticContact CZ-CD2 3.94Å; F539-H561 AromaticContact CZ-CG 3.73Å; F539-L562 HydrophobicContact CB-CD1 4.11Å; F539-L562 HydrophobicContact CB-CD2 4.4Å; F539-L562 HydrophobicContact CB-CG 4.41Å; F539-L562 HydrophobicContact CG-CD1 4.49Å; F539-L562 HydrophobicContact CG-CG 4.45Å |
| 540 | V | 79 | Confident | 70.2 | Confident | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -61.8 | -40.9 | -179.9 | 171.5 | 0 | 0 | 0 | 0 | 111.1 | V536 F537 K542 L543 I546 V558 I577 I581 | V536-V540 HydrophobicContact CG1-CG2 4.2Å; V536-V540 WeakPolarHBondContact O-CB 3.48Å; V536-V540 VanDerWaalsContact O-CG2 3.27Å; V536-V540 WeakPolarHBondContact O-CG2 3.43Å; V536-V540 PolarHBondContact O-N 3.18Å; F537-V540 PolarHBondContact O-N 3.06Å; V540-K542 PolarHBondContact O-N 3.15Å; V540-L543 WeakPolarHBondContact O-CB 3.41Å; V540-L543 PolarHBondContact O-N 3.12Å; V540-L543 VanDerWaalsContact O-N 3.15Å; V540-I546 HydrophobicContact CG1-CD1 4.39Å; V540-I546 HydrophobicContact CG1-CG2 4.37Å; V540-I546 WeakPolarHBondContact O-CD1 3.24Å; V540-V558 HydrophobicContact CG2-CG2 3.88Å; V540-I577 HydrophobicContact CB-CG2 4.17Å; V540-I577 HydrophobicContact CG1-CG2 3.79Å; V540-I581 HydrophobicContact CG1-CD1 4.17Å |
| 541 | Q | 71.5 | Confident | 71.3 | Confident | 116 Ų | 116 | 62 Ų | 62 | 54% | 0.542 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -64.3 | -25 | 177.2 | -166.3 | -179.5 | 21.9 | 0 | 0 | 113.1 | F537 F539 | F537-Q541 HydrophobicContact CE1-CB 4.44Å; F537-Q541 VanDerWaalsContact O-CB 3.3Å; F537-Q541 WeakPolarHBondContact O-CB 3.14Å; F537-Q541 PolarHBondContact O-N 2.98Å; F539-Q541 VanDerWaalsContact C-N 3.3Å; F539-Q541 PolarHBondContact O-N 3.12Å |
| 542 | K | 61.3 | Low | 72.1 | Confident | 127.5 Ų | 127.5 | 66.7 Ų | 66.7 | 55% | 0.554 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -84.7 | -10.4 | 175.8 | -69.7 | 165.6 | -166.1 | 167.9 | 0 | 113.3 | D538 F539 V540 L593 | D538-K542 WeakPolarHBondContact O-CD 3.2Å; D538-K542 WeakPolarHBondContact O-CE 3.17Å; D538-K542 VanDerWaalsContact O-CG 3.23Å; D538-K542 WeakPolarHBondContact O-CG 3.02Å; D538-K542 PolarHBondContact O-N 3.39Å; D538-K542 WeakPolarHBondContact OD2-CE 3.31Å; D538-K542 IonicContact OD2-NZ 2.75Å; D538-K542 PolarHBondContact OD2-NZ 3.5Å; F539-K542 PolarHBondContact O-N 2.98Å; F539-K542 VanDerWaalsContact O-N 3.13Å; V540-K542 PolarHBondContact O-N 3.15Å; K542-L593 HydrophobicContact CB-CD2 4.1Å; K542-L593 HydrophobicContact CG-CD2 3.94Å |
| 543 | L | 58.6 | Low | 72.3 | Confident | 29 Ų | 29 | 67.9 Ų | 67.9 | 15% | 0.152 | 37% | 0.373 | C | S | . | . | S | Bend | trans | -74.1 | 137.1 | 177.1 | -66.5 | 175.9 | 0 | 0 | 0 | 110.9 | F539 V540 I546 L554 L557 | F539-L543 HydrophobicContact CD1-CD1 4.36Å; F539-L543 HydrophobicContact CD1-CG 4.47Å; F539-L543 HydrophobicContact CE1-CD1 3.93Å; F539-L543 HydrophobicContact CE1-CD2 4.11Å; F539-L543 HydrophobicContact CE1-CG 4.22Å; F539-L543 HydrophobicContact CE2-CD2 4.3Å; F539-L543 HydrophobicContact CZ-CD1 4.42Å; F539-L543 HydrophobicContact CZ-CD2 3.82Å; F539-L543 HydrophobicContact CZ-CG 4.4Å; F539-L543 PolarHBondContact O-N 3.19Å; V540-L543 WeakPolarHBondContact O-CB 3.41Å; V540-L543 PolarHBondContact O-N 3.12Å; V540-L543 VanDerWaalsContact O-N 3.15Å; L543-I546 HydrophobicContact CB-CG1 4.18Å; L543-I546 VanDerWaalsContact O-CG1 3.26Å; L543-I546 WeakPolarHBondContact O-CG1 3.43Å; L543-L554 HydrophobicContact CD1-CD2 3.55Å; L543-L557 HydrophobicContact CD1-CD1 4.25Å; L543-L557 HydrophobicContact CD2-CD1 4.5Å |
| 544 | T | 53.9 | Low | 72.6 | Confident | 77.5 Ų | 77.5 | 64.4 Ų | 64.4 | 48% | 0.475 | 35% | 0.35 | S | S | . | . | S | Bend | trans | -80.8 | 147.8 | 171.1 | 51.6 | 0 | 0 | 0 | 0 | 111.1 | I546 R549 | T544-I546 PolarHBondContact O-N 3.17Å; T544-R549 VanDerWaalsContact O-CZ 3.3Å; T544-R549 PolarHBondContact O-NE 3.02Å; T544-R549 PolarHBondContact O-NH2 2.8Å |
| 545 | C | 56.5 | Low | 73.1 | Confident | 82 Ų | 82 | 63 Ų | 63 | 55% | 0.554 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.8 | 40.1 | 176.1 | -49.8 | 0 | 0 | 0 | 0 | 114.2 | S547 S548 R549 | C545-S547 PolarHBondContact O-N 3.3Å; C545-S548 VanDerWaalsContact CB-OG 3.27Å; C545-S548 WeakPolarHBondContact CB-OG 3.37Å; C545-S548 PolarHBondContact O-N 3.29Å; C545-S548 PolarHBondContact O-OG 3.26Å; C545-S548 VanDerWaalsContact O-OG 3.13Å; C545-R549 WeakPolarHBondContact O-CG 3.35Å; C545-R549 PolarHBondContact O-N 3.12Å |
| 546 | I | 67.1 | Low | 73.4 | Confident | 21.5 Ų | 21.5 | 62.9 Ų | 62.9 | 11% | 0.11 | 33% | 0.332 | C | S | . | . | G | 310 helix | trans | -50.9 | -42.5 | -179.9 | -58.1 | 170.4 | 0 | 0 | 0 | 111.4 | V540 L543 T544 S548 R549 L554 L578 I581 | V540-I546 HydrophobicContact CG1-CD1 4.39Å; V540-I546 HydrophobicContact CG1-CG2 4.37Å; V540-I546 WeakPolarHBondContact O-CD1 3.24Å; L543-I546 HydrophobicContact CB-CG1 4.18Å; L543-I546 VanDerWaalsContact O-CG1 3.26Å; L543-I546 WeakPolarHBondContact O-CG1 3.43Å; T544-I546 PolarHBondContact O-N 3.17Å; I546-S548 VanDerWaalsContact C-N 3.33Å; I546-S548 PolarHBondContact O-N 3.06Å; I546-R549 PolarHBondContact O-N 2.87Å; I546-R549 VanDerWaalsContact O-N 3.07Å; I546-L554 HydrophobicContact CG2-CD1 4.41Å; I546-L578 HydrophobicContact CG2-CD2 3.49Å; I546-I581 HydrophobicContact CD1-CD1 4.17Å; I546-I581 HydrophobicContact CD1-CG2 4.21Å |
| 547 | S | 65.3 | Low | 73.4 | Confident | 113.5 Ų | 113.5 | 64.7 Ų | 64.7 | 79% | 0.794 | 34% | 0.341 | S | S | * | . | G | 310 helix | trans | -68.3 | -12.8 | -179.2 | 59.8 | 0 | 0 | 0 | 0 | 115.3 | C545 | C545-S547 PolarHBondContact O-N 3.3Š|
| 548 | S | 64.2 | Low | 73.6 | Confident | 92.5 Ų | 92.5 | 61.7 Ų | 61.7 | 65% | 0.647 | 33% | 0.328 | S | S | * | . | G | 310 helix | trans | -107.4 | -3.3 | 175.3 | 70.6 | 0 | 0 | 0 | 0 | 113.4 | C545 I546 | C545-S548 VanDerWaalsContact CB-OG 3.27Å; C545-S548 WeakPolarHBondContact CB-OG 3.37Å; C545-S548 PolarHBondContact O-N 3.29Å; C545-S548 PolarHBondContact O-OG 3.26Å; C545-S548 VanDerWaalsContact O-OG 3.13Å; I546-S548 VanDerWaalsContact C-N 3.33Å; I546-S548 PolarHBondContact O-N 3.06Å |
| 549 | R | 71.5 | Confident | 74.3 | Confident | 67.5 Ų | 67.5 | 59.2 Ų | 59.2 | 26% | 0.255 | 32% | 0.316 | S | S | . | . | S | Bend | trans | -90.9 | 137 | 176.5 | -66.7 | 176.8 | -171 | -94.5 | 4.3 | 109.3 | T544 C545 I546 E553 L554 | T544-R549 VanDerWaalsContact O-CZ 3.3Å; T544-R549 PolarHBondContact O-NE 3.02Å; T544-R549 PolarHBondContact O-NH2 2.8Å; C545-R549 WeakPolarHBondContact O-CG 3.35Å; C545-R549 PolarHBondContact O-N 3.12Å; I546-R549 PolarHBondContact O-N 2.87Å; I546-R549 VanDerWaalsContact O-N 3.07Å; R549-E553 WeakPolarHBondContact CA-OE2 3.33Å; R549-E553 HydrophobicContact CB-CB 4.47Å; R549-L554 HydrophobicContact CB-CD1 4.38Å; R549-L554 HydrophobicContact CB-CD2 4.12Å; R549-L554 HydrophobicContact CB-CG 3.95Å |
| 550 | S | 80.3 | Confident | 74.3 | Confident | 54.5 Ų | 54.5 | 62.6 Ų | 62.6 | 38% | 0.381 | 33% | 0.332 | S | S | . | . | trans | -68.5 | 155.1 | 173 | 66.6 | 0 | 0 | 0 | 0 | 111 | E552 E553 L554 | S550-E552 PolarHBondContact O-N 3.14Å; S550-E552 VanDerWaalsContact O-N 3.15Å; S550-E553 VanDerWaalsContact CB-OE2 3.32Å; S550-E553 WeakPolarHBondContact CB-OE2 3.36Å; S550-E553 PolarHBondContact N-OE2 3.24Å; S550-E553 PolarHBondContact O-N 2.95Å; S550-E553 VanDerWaalsContact O-N 3.13Å; S550-E553 VanDerWaalsContact OG-CG 3.29Å; S550-E553 WeakPolarHBondContact OG-CG 3.22Å; S550-E553 PolarHBondContact OG-N 3.06Å; S550-E553 VanDerWaalsContact OG-N 3.11Å; S550-E553 PolarHBondContact OG-OE2 3.39Å; S550-L554 WeakPolarHBondContact O-CG 3.24Å; S550-L554 PolarHBondContact O-N 2.93Å | ||
| 551 | K | 81.3 | Confident | 74.2 | Confident | 70 Ų | 70 | 68.5 Ų | 68.5 | 30% | 0.304 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -51.9 | -36.6 | 170.5 | -177.7 | -179.9 | 178.2 | 179.9 | 0 | 111.4 | L554 C555 E571 E575 | K551-L554 PolarHBondContact O-N 2.93Å; K551-C555 WeakPolarHBondContact O-CB 3.41Å; K551-C555 PolarHBondContact O-N 3.18Å; K551-C555 PolarHBondContact O-SG 3.08Å; K551-E571 WeakPolarHBondContact CE-O 3.11Å; K551-E571 PolarHBondContact NZ-O 2.98Å; K551-E575 IonicContact NZ-OE1 2.83Å; K551-E575 PolarHBondContact NZ-OE1 3.15Å; K551-E575 IonicContact NZ-OE2 3.09Å; K551-E575 PolarHBondContact NZ-OE2 3.37Å |
| 552 | E | 82.5 | Confident | 74.6 | Confident | 116 Ų | 116 | 65.1 Ų | 65.1 | 54% | 0.542 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -66.8 | -43.7 | 179.1 | -168.6 | 123.5 | -122.7 | 0 | 0 | 112.6 | S550 C555 K556 R566 | S550-E552 PolarHBondContact O-N 3.14Å; S550-E552 VanDerWaalsContact O-N 3.15Å; E552-C555 PolarHBondContact O-N 2.68Å; E552-K556 WeakPolarHBondContact O-CB 3.26Å; E552-K556 PolarHBondContact O-N 3.23Å; E552-R566 IonicContact OE1-CZ 3.36Å; E552-R566 VanDerWaalsContact OE1-CZ 3.26Å; E552-R566 IonicContact OE1-NH1 3.67Å; E552-R566 PolarHBondContact OE1-NH1 3.39Å; E552-R566 IonicContact OE1-NH2 3.33Å; E552-R566 PolarHBondContact OE1-NH2 3.1Å |
| 553 | E | 81.8 | Confident | 75.3 | Confident | 96.5 Ų | 96.5 | 66.6 Ų | 66.6 | 45% | 0.451 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -65.5 | -40.7 | 174 | -75 | 167.3 | 134.5 | 0 | 0 | 112.2 | R549 S550 C555 K556 L557 | R549-E553 WeakPolarHBondContact CA-OE2 3.33Å; R549-E553 HydrophobicContact CB-CB 4.47Å; S550-E553 VanDerWaalsContact CB-OE2 3.32Å; S550-E553 WeakPolarHBondContact CB-OE2 3.36Å; S550-E553 PolarHBondContact N-OE2 3.24Å; S550-E553 PolarHBondContact O-N 2.95Å; S550-E553 VanDerWaalsContact O-N 3.13Å; S550-E553 VanDerWaalsContact OG-CG 3.29Å; S550-E553 WeakPolarHBondContact OG-CG 3.22Å; S550-E553 PolarHBondContact OG-N 3.06Å; S550-E553 VanDerWaalsContact OG-N 3.11Å; S550-E553 PolarHBondContact OG-OE2 3.39Å; E553-C555 VanDerWaalsContact C-N 3.35Å; E553-K556 WeakPolarHBondContact O-CB 3.47Å; E553-K556 PolarHBondContact O-N 2.87Å; E553-L557 WeakPolarHBondContact O-CB 3.13Å; E553-L557 WeakPolarHBondContact O-CD1 3.43Å; E553-L557 VanDerWaalsContact O-CG 3.24Å; E553-L557 WeakPolarHBondContact O-CG 3.28Å; E553-L557 PolarHBondContact O-N 3.23Å |
| 554 | L | 84.4 | Confident | 76.3 | Confident | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -65 | -43.7 | 176.5 | -70.3 | 168.8 | 0 | 0 | 0 | 111.3 | L543 I546 R549 S550 K551 K556 L557 V558 I574 L578 | L543-L554 HydrophobicContact CD1-CD2 3.55Å; I546-L554 HydrophobicContact CG2-CD1 4.41Å; R549-L554 HydrophobicContact CB-CD1 4.38Å; R549-L554 HydrophobicContact CB-CD2 4.12Å; R549-L554 HydrophobicContact CB-CG 3.95Å; S550-L554 WeakPolarHBondContact O-CG 3.24Å; S550-L554 PolarHBondContact O-N 2.93Å; K551-L554 PolarHBondContact O-N 2.93Å; L554-K556 VanDerWaalsContact C-N 3.3Å; L554-K556 PolarHBondContact O-N 3Å; L554-L557 PolarHBondContact O-N 3.14Å; L554-V558 WeakPolarHBondContact O-CB 3.35Å; L554-V558 VanDerWaalsContact O-CG2 3.23Å; L554-V558 WeakPolarHBondContact O-CG2 3.19Å; L554-V558 PolarHBondContact O-N 3.01Å; L554-I574 HydrophobicContact CB-CD1 4.44Å; L554-I574 HydrophobicContact CB-CG2 3.97Å; L554-I574 HydrophobicContact CD1-CG2 4.23Å; L554-L578 HydrophobicContact CD1-CD1 3.85Å; L554-L578 HydrophobicContact CD1-CD2 3.76Å; L554-L578 HydrophobicContact CD1-CG 4.18Å |
| 555 | C | 86.5 | Confident | 77.5 | Confident | 0.5 Ų | 0.5 | 70 Ų | 70 | 0% | 0.003 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -58 | -43.9 | 172.2 | -71.5 | 0 | 0 | 0 | 0 | 111.4 | K551 E552 E553 V558 C559 E571 I574 | K551-C555 WeakPolarHBondContact O-CB 3.41Å; K551-C555 PolarHBondContact O-N 3.18Å; K551-C555 PolarHBondContact O-SG 3.08Å; E552-C555 PolarHBondContact O-N 2.68Å; E553-C555 VanDerWaalsContact C-N 3.35Å; C555-V558 PolarHBondContact O-N 2.87Å; C555-C559 WeakPolarHBondContact O-CB 3.45Å; C555-C559 PolarHBondContact O-N 3.31Å; C555-C559 PolarHBondContact O-SG 2.91Å; C555-E571 VanDerWaalsContact SG-CG 3.59Å; C555-I574 HydrophobicContact CB-CD1 4.26Å; C555-I574 VanDerWaalsContact SG-CD1 3.58Å |
| 556 | K | 83.1 | Confident | 78.7 | Confident | 91.5 Ų | 91.5 | 71.4 Ų | 71.4 | 40% | 0.398 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -62.1 | -50.6 | 178.3 | -173.6 | -177 | 171.2 | -168.7 | 0 | 111.6 | E552 E553 L554 V558 C559 E560 N901 | E552-K556 WeakPolarHBondContact O-CB 3.26Å; E552-K556 PolarHBondContact O-N 3.23Å; E553-K556 WeakPolarHBondContact O-CB 3.47Å; E553-K556 PolarHBondContact O-N 2.87Å; L554-K556 VanDerWaalsContact C-N 3.3Å; L554-K556 PolarHBondContact O-N 3Å; K556-V558 VanDerWaalsContact C-N 3.33Å; K556-V558 PolarHBondContact O-N 3.08Å; K556-C559 WeakPolarHBondContact O-CB 3.18Å; K556-C559 PolarHBondContact O-N 3.01Å; K556-C559 VanDerWaalsContact O-N 3.13Å; K556-E560 WeakPolarHBondContact CE-OE1 3.48Å; K556-E560 VanDerWaalsContact CE-OE2 3.24Å; K556-E560 WeakPolarHBondContact CE-OE2 3.4Å; K556-E560 HydrophobicContact CG-CG 4.33Å; K556-E560 IonicContact NZ-OE1 2.78Å; K556-E560 WeakPolarHBondContact O-CB 3.36Å; K556-E560 WeakPolarHBondContact O-CG 3.1Å; K556-E560 PolarHBondContact O-N 3.25Å; K556-N901 PolarHBondContact NZ-OD1 2.85Å |
| 557 | L | 83.6 | Confident | 79.5 | Confident | 37.5 Ų | 37.5 | 72.5 Ų | 72.5 | 20% | 0.196 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -60.1 | -41.3 | 179.2 | -73.6 | 163.7 | 0 | 0 | 0 | 112.4 | F539 L543 E553 L554 E560 H561 | F539-L557 HydrophobicContact CE1-CB 4.14Å; F539-L557 HydrophobicContact CZ-CB 4.39Å; L543-L557 HydrophobicContact CD1-CD1 4.25Å; L543-L557 HydrophobicContact CD2-CD1 4.5Å; E553-L557 WeakPolarHBondContact O-CB 3.13Å; E553-L557 WeakPolarHBondContact O-CD1 3.43Å; E553-L557 VanDerWaalsContact O-CG 3.24Å; E553-L557 WeakPolarHBondContact O-CG 3.28Å; E553-L557 PolarHBondContact O-N 3.23Å; L554-L557 PolarHBondContact O-N 3.14Å; L557-E560 PolarHBondContact O-N 3.15Å; L557-H561 VanDerWaalsContact O-CB 3.24Å; L557-H561 WeakPolarHBondContact O-CB 3.4Å; L557-H561 PolarHBondContact O-N 2.98Å |
| 558 | V | 85.3 | Confident | 80.3 | Confident | 0 Ų | 0 | 71.2 Ų | 71.2 | 0% | 0 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -66 | -42.8 | 176.1 | 173 | 0 | 0 | 0 | 0 | 111.1 | V536 F539 V540 L554 C555 K556 L562 I564 L570 I574 | V536-V558 HydrophobicContact CB-CG1 4.49Å; V536-V558 HydrophobicContact CG1-CG1 4.02Å; V536-V558 HydrophobicContact CG1-CG2 4.17Å; V536-V558 HydrophobicContact CG2-CG1 4.01Å; F539-V558 HydrophobicContact CD1-CG2 3.73Å; F539-V558 HydrophobicContact CE1-CB 4.49Å; F539-V558 HydrophobicContact CE1-CG2 3.94Å; V540-V558 HydrophobicContact CG2-CG2 3.88Å; L554-V558 WeakPolarHBondContact O-CB 3.35Å; L554-V558 VanDerWaalsContact O-CG2 3.23Å; L554-V558 WeakPolarHBondContact O-CG2 3.19Å; L554-V558 PolarHBondContact O-N 3.01Å; C555-V558 PolarHBondContact O-N 2.87Å; K556-V558 VanDerWaalsContact C-N 3.33Å; K556-V558 PolarHBondContact O-N 3.08Å; V558-L562 HydrophobicContact CG1-CD1 4.08Å; V558-L562 VanDerWaalsContact O-CB 3.3Å; V558-L562 WeakPolarHBondContact O-CB 3.21Å; V558-L562 PolarHBondContact O-N 3.12Å; V558-I564 HydrophobicContact CG1-CD1 4.27Å; V558-L570 HydrophobicContact CG1-CD1 3.82Å; V558-L570 HydrophobicContact CG1-CD2 4.11Å; V558-I574 HydrophobicContact CB-CD1 4.17Å; V558-I574 HydrophobicContact CG2-CD1 3.89Å; V558-I574 HydrophobicContact CG2-CG1 4.5Å |
| 559 | C | 85.4 | Confident | 81.2 | Confident | 23.5 Ų | 23.5 | 72 Ų | 72 | 16% | 0.159 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -63.9 | -41.9 | 176.8 | -68.2 | 0 | 0 | 0 | 0 | 112.2 | C555 K556 H563 I564 R566 L570 | C555-C559 WeakPolarHBondContact O-CB 3.45Å; C555-C559 PolarHBondContact O-N 3.31Å; C555-C559 PolarHBondContact O-SG 2.91Å; K556-C559 WeakPolarHBondContact O-CB 3.18Å; K556-C559 PolarHBondContact O-N 3.01Å; K556-C559 VanDerWaalsContact O-N 3.13Å; C559-H563 CarbonylContact O-C 3.53Å; C559-H563 VanDerWaalsContact O-CA 3.23Å; C559-H563 WeakPolarHBondContact O-CA 3.16Å; C559-H563 PolarHBondContact O-N 3.36Å; C559-H563 VanDerWaalsContact O-N 3.09Å; C559-I564 WeakPolarHBondContact CA-O 3.17Å; C559-I564 VanDerWaalsContact CB-O 3.32Å; C559-I564 WeakPolarHBondContact CB-O 3.27Å; C559-I564 PolarHBondContact O-N 3.24Å; C559-I564 VanDerWaalsContact O-N 3.09Å; C559-I564 PolarHBondContact SG-O 2.99Å; C559-I564 VanDerWaalsContact SG-O 3.33Å; C559-R566 VanDerWaalsContact SG-CA 3.53Å; C559-R566 VanDerWaalsContact SG-CB 3.59Å; C559-L570 WeakPolarHBondContact SG-CD2 3.12Å |
| 560 | E | 77.8 | Confident | 82 | Confident | 97.5 Ų | 97.5 | 68.8 Ų | 68.8 | 46% | 0.456 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -71 | -46.7 | -179.7 | -75.1 | 175.8 | 160.4 | 0 | 0 | 111.9 | K556 L557 H563 | K556-E560 WeakPolarHBondContact CE-OE1 3.48Å; K556-E560 VanDerWaalsContact CE-OE2 3.24Å; K556-E560 WeakPolarHBondContact CE-OE2 3.4Å; K556-E560 HydrophobicContact CG-CG 4.33Å; K556-E560 IonicContact NZ-OE1 2.78Å; K556-E560 WeakPolarHBondContact O-CB 3.36Å; K556-E560 WeakPolarHBondContact O-CG 3.1Å; K556-E560 PolarHBondContact O-N 3.25Å; L557-E560 PolarHBondContact O-N 3.15Å; E560-H563 PolarHBondContact O-CE1 3.09Å; E560-H563 PolarHBondContact O-ND1 2.99Å; E560-H563 VanDerWaalsContact O-ND1 3.14Å |
| 561 | H | 77.1 | Confident | 82.3 | Confident | 123.5 Ų | 123.5 | 68.8 Ų | 68.8 | 57% | 0.572 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -83 | -36 | -173 | -166.3 | 82.7 | 0 | 0 | 0 | 114.1 | F539 L557 | F539-H561 HydrophobicContact CD2-CB 4.41Å; F539-H561 AromaticContact CD2-CD2 3.33Å; F539-H561 VanDerWaalsContact CD2-CD2 3.43Å; F539-H561 WeakPolarHBondContact CD2-CD2 3.39Å; F539-H561 AromaticContact CD2-CG 3.9Å; F539-H561 AromaticContact CD2-NE2 3.75Å; F539-H561 HydrophobicContact CE1-CB 4.25Å; F539-H561 HydrophobicContact CE2-CB 3.63Å; F539-H561 AromaticContact CE2-CD2 3.09Å; F539-H561 WeakPolarHBondContact CE2-CD2 3.37Å; F539-H561 AromaticContact CE2-CG 3.3Å; F539-H561 AromaticContact CE2-ND1 3.9Å; F539-H561 AromaticContact CE2-NE2 3.7Å; F539-H561 HydrophobicContact CZ-CB 3.5Å; F539-H561 VanDerWaalsContact CZ-CB 3.48Å; F539-H561 AromaticContact CZ-CD2 3.94Å; F539-H561 AromaticContact CZ-CG 3.73Å; L557-H561 VanDerWaalsContact O-CB 3.24Å; L557-H561 WeakPolarHBondContact O-CB 3.4Å; L557-H561 PolarHBondContact O-N 2.98Å |
| 562 | L | 79.9 | Confident | 82.6 | Confident | 45 Ų | 45 | 71.8 Ų | 71.8 | 24% | 0.236 | 35% | 0.35 | C | S | . | . | S | Bend | trans | -95.9 | 2.2 | 177.5 | -56.7 | -175.5 | 0 | 0 | 0 | 112.7 | L535 V536 F539 V558 I564 | L535-L562 HydrophobicContact CB-CD1 4.3Å; L535-L562 HydrophobicContact CD2-CD2 4.47Å; V536-L562 HydrophobicContact CB-CD1 4.49Å; V536-L562 HydrophobicContact CG2-CD1 4Å; F539-L562 HydrophobicContact CB-CD1 4.11Å; F539-L562 HydrophobicContact CB-CD2 4.4Å; F539-L562 HydrophobicContact CB-CG 4.41Å; F539-L562 HydrophobicContact CG-CD1 4.49Å; F539-L562 HydrophobicContact CG-CG 4.45Å; V558-L562 HydrophobicContact CG1-CD1 4.08Å; V558-L562 VanDerWaalsContact O-CB 3.3Å; V558-L562 WeakPolarHBondContact O-CB 3.21Å; V558-L562 PolarHBondContact O-N 3.12Å; L562-I564 HydrophobicContact CB-CD1 3.72Å; L562-I564 HydrophobicContact CB-CG1 3.8Å; L562-I564 HydrophobicContact CD1-CD1 4.04Å; L562-I564 HydrophobicContact CG-CD1 4.49Å; L562-I564 PolarHBondContact O-N 3.21Å; L562-I564 VanDerWaalsContact O-N 3.13Å |
| 563 | H | 75.4 | Confident | 82.7 | Confident | 159.5 Ų | 159.5 | 68.1 Ų | 68.1 | 74% | 0.738 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.4 | 35.6 | -177.1 | -58.2 | -42.5 | 0 | 0 | 0 | 113.6 | C559 E560 | C559-H563 CarbonylContact O-C 3.53Å; C559-H563 VanDerWaalsContact O-CA 3.23Å; C559-H563 WeakPolarHBondContact O-CA 3.16Å; C559-H563 PolarHBondContact O-N 3.36Å; C559-H563 VanDerWaalsContact O-N 3.09Å; E560-H563 PolarHBondContact O-CE1 3.09Å; E560-H563 PolarHBondContact O-ND1 2.99Å; E560-H563 VanDerWaalsContact O-ND1 3.14Å |
| 564 | I | 79.1 | Confident | 83 | Confident | 36 Ų | 36 | 63.5 Ų | 63.5 | 19% | 0.185 | 31% | 0.312 | C | S | . | . | P | Polyproline II helix | trans | -90.4 | 135.8 | 178.9 | -60.7 | 175.8 | 0 | 0 | 0 | 109.2 | I531 V536 V558 C559 L562 R566 L570 | I531-I564 HydrophobicContact CG1-CG2 3.94Å; I531-I564 HydrophobicContact CG2-CD1 4.36Å; V536-I564 HydrophobicContact CG2-CD1 3.89Å; V558-I564 HydrophobicContact CG1-CD1 4.27Å; C559-I564 WeakPolarHBondContact CA-O 3.17Å; C559-I564 VanDerWaalsContact CB-O 3.32Å; C559-I564 WeakPolarHBondContact CB-O 3.27Å; C559-I564 PolarHBondContact O-N 3.24Å; C559-I564 VanDerWaalsContact O-N 3.09Å; C559-I564 PolarHBondContact SG-O 2.99Å; C559-I564 VanDerWaalsContact SG-O 3.33Å; L562-I564 HydrophobicContact CB-CD1 3.72Å; L562-I564 HydrophobicContact CB-CG1 3.8Å; L562-I564 HydrophobicContact CD1-CD1 4.04Å; L562-I564 HydrophobicContact CG-CD1 4.49Å; L562-I564 PolarHBondContact O-N 3.21Å; L562-I564 VanDerWaalsContact O-N 3.13Å; I564-R566 PolarHBondContact O-N 2.84Å; I564-L570 HydrophobicContact CG2-CD2 4.18Å |
| 565 | I | 79.3 | Confident | 83.1 | Confident | 141 Ų | 141 | 68.4 Ų | 68.4 | 72% | 0.723 | 34% | 0.335 | S | S | * | . | P | Polyproline II helix | trans | -73.4 | 127.1 | 174.4 | -58.7 | 172.7 | 0 | 0 | 0 | 109.1 | S567 | I565-S567 PolarHBondContact O-N 2.91Š|
| 566 | R | 81.1 | Confident | 82.9 | Confident | 111.5 Ų | 111.5 | 71.6 Ų | 71.6 | 42% | 0.421 | 36% | 0.357 | S | S | . | . | P | Polyproline II helix | trans | -55.2 | 124.3 | 177.6 | -169.3 | 172.1 | 174.7 | 175.9 | -5.9 | 110.3 | E552 C559 I564 E571 | E552-R566 IonicContact OE1-CZ 3.36Å; E552-R566 VanDerWaalsContact OE1-CZ 3.26Å; E552-R566 IonicContact OE1-NH1 3.67Å; E552-R566 PolarHBondContact OE1-NH1 3.39Å; E552-R566 IonicContact OE1-NH2 3.33Å; E552-R566 PolarHBondContact OE1-NH2 3.1Å; C559-R566 VanDerWaalsContact SG-CA 3.53Å; C559-R566 VanDerWaalsContact SG-CB 3.59Å; I564-R566 PolarHBondContact O-N 2.84Å; R566-E571 IonicContact CZ-OE1 3.25Å; R566-E571 IonicContact NE-OE1 3.24Å; R566-E571 PolarHBondContact NE-OE1 3.09Å; R566-E571 IonicContact NH2-OE1 3.13Å; R566-E571 PolarHBondContact NH2-OE1 2.94Å |
| 567 | S | 84 | Confident | 82.8 | Confident | 44 Ų | 44 | 67.5 Ų | 67.5 | 31% | 0.308 | 34% | 0.34 | S | S | . | . | trans | -146.8 | 158.5 | -179.9 | 64.6 | 0 | 0 | 0 | 0 | 110.5 | I531 I565 K569 L570 E571 | I531-S567 WeakPolarHBondContact CD1-OG 3.45Å; I565-S567 PolarHBondContact O-N 2.91Å; S567-K569 PolarHBondContact O-N 3.24Å; S567-K569 VanDerWaalsContact O-N 3.16Å; S567-L570 WeakPolarHBondContact O-CA 3.05Å; S567-L570 WeakPolarHBondContact O-CB 3.25Å; S567-L570 PolarHBondContact O-N 3.38Å; S567-L570 PolarHBondContact OG-N 3.41Å; S567-E571 PolarHBondContact O-N 3.07Å | ||
| 568 | S | 83.2 | Confident | 82.7 | Confident | 87.5 Ų | 87.5 | 67.1 Ų | 67.1 | 61% | 0.612 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -58 | -31.3 | 178.4 | 53 | 0 | 0 | 0 | 0 | 113.2 | L570 E571 Q572 | S568-L570 VanDerWaalsContact C-N 3.31Å; S568-L570 PolarHBondContact O-N 2.88Å; S568-E571 PolarHBondContact O-N 2.99Å; S568-Q572 WeakPolarHBondContact O-CB 3.1Å; S568-Q572 WeakPolarHBondContact O-CG 3.41Å; S568-Q572 PolarHBondContact O-N 3.19Å |
| 569 | K | 82.5 | Confident | 82.3 | Confident | 110 Ų | 110 | 70.2 Ų | 70.2 | 48% | 0.478 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -65.4 | -36.3 | 175 | -167.5 | 177.9 | -179.1 | -177.7 | 0 | 111.8 | D530 I531 S567 L573 | D530-K569 IonicContact OD1-NZ 3.37Å; D530-K569 PolarHBondContact OD1-NZ 3.27Å; D530-K569 VanDerWaalsContact OD1-NZ 3.13Å; I531-K569 HydrophobicContact CD1-CB 4.01Å; I531-K569 HydrophobicContact CD1-CD 4.24Å; I531-K569 HydrophobicContact CD1-CG 4.22Å; S567-K569 PolarHBondContact O-N 3.24Å; S567-K569 VanDerWaalsContact O-N 3.16Å; K569-L573 WeakPolarHBondContact O-CB 3.37Å; K569-L573 PolarHBondContact O-N 2.9Å; K569-L573 VanDerWaalsContact O-N 3.13Å |
| 570 | L | 87.6 | Confident | 81.7 | Confident | 0 Ų | 0 | 74.8 Ų | 74.8 | 0% | 0 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -69.8 | -42.2 | 173.3 | -178.4 | 62.4 | 0 | 0 | 0 | 111.4 | I531 V536 V558 C559 I564 S567 S568 Q572 L573 I574 | I531-L570 HydrophobicContact CD1-CB 3.69Å; I531-L570 HydrophobicContact CD1-CD1 4.46Å; I531-L570 HydrophobicContact CG2-CD1 4.09Å; V536-L570 HydrophobicContact CG1-CD1 4.15Å; V536-L570 HydrophobicContact CG2-CD1 4.06Å; V558-L570 HydrophobicContact CG1-CD1 3.82Å; V558-L570 HydrophobicContact CG1-CD2 4.11Å; C559-L570 WeakPolarHBondContact SG-CD2 3.12Å; I564-L570 HydrophobicContact CG2-CD2 4.18Å; S567-L570 WeakPolarHBondContact O-CA 3.05Å; S567-L570 WeakPolarHBondContact O-CB 3.25Å; S567-L570 PolarHBondContact O-N 3.38Å; S567-L570 PolarHBondContact OG-N 3.41Å; S568-L570 VanDerWaalsContact C-N 3.31Å; S568-L570 PolarHBondContact O-N 2.88Å; L570-Q572 VanDerWaalsContact C-N 3.32Å; L570-Q572 PolarHBondContact O-N 2.95Å; L570-L573 HydrophobicContact CD1-CD2 4.48Å; L570-L573 WeakPolarHBondContact O-CB 3.43Å; L570-L573 PolarHBondContact O-N 2.89Å; L570-L573 VanDerWaalsContact O-N 3.17Å; L570-I574 HydrophobicContact CD1-CD1 4.01Å; L570-I574 HydrophobicContact CD1-CG1 4.26Å; L570-I574 HydrophobicContact CD2-CD1 4.44Å; L570-I574 HydrophobicContact CG-CD1 3.93Å; L570-I574 HydrophobicContact CG-CG1 4.49Å; L570-I574 WeakPolarHBondContact O-CG1 3.34Å; L570-I574 PolarHBondContact O-N 3.33Å |
| 571 | E | 87.9 | Confident | 81.2 | Confident | 54.5 Ų | 54.5 | 72.5 Ų | 72.5 | 26% | 0.255 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -63.5 | -40.7 | 179.5 | -68.9 | -175.2 | 168.9 | 0 | 0 | 112 | K551 C555 R566 S567 S568 L573 I574 E575 | K551-E571 WeakPolarHBondContact CE-O 3.11Å; K551-E571 PolarHBondContact NZ-O 2.98Å; C555-E571 VanDerWaalsContact SG-CG 3.59Å; R566-E571 IonicContact CZ-OE1 3.25Å; R566-E571 IonicContact NE-OE1 3.24Å; R566-E571 PolarHBondContact NE-OE1 3.09Å; R566-E571 IonicContact NH2-OE1 3.13Å; R566-E571 PolarHBondContact NH2-OE1 2.94Å; S567-E571 PolarHBondContact O-N 3.07Å; S568-E571 PolarHBondContact O-N 2.99Å; E571-L573 VanDerWaalsContact C-N 3.34Å; E571-I574 PolarHBondContact O-N 3.11Å; E571-E575 VanDerWaalsContact O-CB 3.28Å; E571-E575 WeakPolarHBondContact O-CB 3.29Å; E571-E575 PolarHBondContact O-N 3.26Å |
| 572 | Q | 86.1 | Confident | 80.6 | Confident | 133 Ų | 133 | 72.5 Ų | 72.5 | 62% | 0.621 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -66.7 | -38 | 172.8 | -73.4 | 177.3 | -9.5 | 0 | 0 | 112.3 | S568 L570 E575 S576 | S568-Q572 WeakPolarHBondContact O-CB 3.1Å; S568-Q572 WeakPolarHBondContact O-CG 3.41Å; S568-Q572 PolarHBondContact O-N 3.19Å; L570-Q572 VanDerWaalsContact C-N 3.32Å; L570-Q572 PolarHBondContact O-N 2.95Å; Q572-E575 PolarHBondContact O-N 2.92Å; Q572-S576 PolarHBondContact O-N 3.17Å |
| 573 | L | 86.6 | Confident | 79.5 | Confident | 37.5 Ų | 37.5 | 76.5 Ų | 76.5 | 20% | 0.196 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -64.1 | -49.3 | 177.4 | -175.5 | 75.4 | 0 | 0 | 0 | 111.1 | I531 P533 V536 K569 L570 E571 E575 S576 I577 | I531-L573 HydrophobicContact CG2-CD2 3.76Å; P533-L573 HydrophobicContact CB-CD1 3.92Å; P533-L573 HydrophobicContact CB-CD2 4.42Å; P533-L573 HydrophobicContact CG-CD1 4.31Å; V536-L573 HydrophobicContact CB-CD2 3.72Å; V536-L573 HydrophobicContact CG1-CD2 3.86Å; V536-L573 HydrophobicContact CG2-CD2 3.92Å; K569-L573 WeakPolarHBondContact O-CB 3.37Å; K569-L573 PolarHBondContact O-N 2.9Å; K569-L573 VanDerWaalsContact O-N 3.13Å; L570-L573 HydrophobicContact CD1-CD2 4.48Å; L570-L573 WeakPolarHBondContact O-CB 3.43Å; L570-L573 PolarHBondContact O-N 2.89Å; L570-L573 VanDerWaalsContact O-N 3.17Å; E571-L573 VanDerWaalsContact C-N 3.34Å; L573-E575 VanDerWaalsContact C-N 3.26Å; L573-E575 PolarHBondContact O-N 3.35Å; L573-S576 WeakPolarHBondContact O-CB 3.35Å; L573-S576 PolarHBondContact O-N 3.4Å; L573-S576 VanDerWaalsContact O-N 3.14Å; L573-I577 HydrophobicContact CD2-CD1 4.32Å; L573-I577 HydrophobicContact CG-CD1 3.91Å; L573-I577 HydrophobicContact CG-CG1 4.5Å; L573-I577 VanDerWaalsContact O-CG1 3.25Å; L573-I577 WeakPolarHBondContact O-CG1 3.41Å; L573-I577 PolarHBondContact O-N 2.73Å |
| 574 | I | 87.6 | Confident | 78.1 | Confident | 0 Ų | 0 | 74.9 Ų | 74.9 | 0% | 0 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -61.2 | -37.1 | 178 | -70.9 | 172 | 0 | 0 | 0 | 111 | V536 L554 C555 V558 L570 E571 I577 L578 | V536-I574 HydrophobicContact CG1-CG1 4.12Å; L554-I574 HydrophobicContact CB-CD1 4.44Å; L554-I574 HydrophobicContact CB-CG2 3.97Å; L554-I574 HydrophobicContact CD1-CG2 4.23Å; C555-I574 HydrophobicContact CB-CD1 4.26Å; C555-I574 VanDerWaalsContact SG-CD1 3.58Å; V558-I574 HydrophobicContact CB-CD1 4.17Å; V558-I574 HydrophobicContact CG2-CD1 3.89Å; V558-I574 HydrophobicContact CG2-CG1 4.5Å; L570-I574 HydrophobicContact CD1-CD1 4.01Å; L570-I574 HydrophobicContact CD1-CG1 4.26Å; L570-I574 HydrophobicContact CD2-CD1 4.44Å; L570-I574 HydrophobicContact CG-CD1 3.93Å; L570-I574 HydrophobicContact CG-CG1 4.49Å; L570-I574 WeakPolarHBondContact O-CG1 3.34Å; L570-I574 PolarHBondContact O-N 3.33Å; E571-I574 PolarHBondContact O-N 3.11Å; I574-I577 PolarHBondContact O-N 3.08Å; I574-L578 HydrophobicContact CG2-CD1 4.03Å; I574-L578 HydrophobicContact CG2-CG 4.41Å; I574-L578 WeakPolarHBondContact O-CB 3.3Å; I574-L578 VanDerWaalsContact O-CG 3.26Å; I574-L578 WeakPolarHBondContact O-CG 3.3Å; I574-L578 PolarHBondContact O-N 3.14Å |
| 575 | E | 86 | Confident | 76.4 | Confident | 103.5 Ų | 103.5 | 81.9 Ų | 81.9 | 48% | 0.484 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -65.1 | -40 | 175.1 | -168.2 | 159.5 | -138.4 | 0 | 0 | 112.6 | K551 E571 Q572 L573 L578 S579 | K551-E575 IonicContact NZ-OE1 2.83Å; K551-E575 PolarHBondContact NZ-OE1 3.15Å; K551-E575 IonicContact NZ-OE2 3.09Å; K551-E575 PolarHBondContact NZ-OE2 3.37Å; E571-E575 VanDerWaalsContact O-CB 3.28Å; E571-E575 WeakPolarHBondContact O-CB 3.29Å; E571-E575 PolarHBondContact O-N 3.26Å; Q572-E575 PolarHBondContact O-N 2.92Å; L573-E575 VanDerWaalsContact C-N 3.26Å; L573-E575 PolarHBondContact O-N 3.35Å; E575-L578 PolarHBondContact O-N 3.48Å; E575-S579 PolarHBondContact O-N 3.03Å |
| 576 | S | 82.4 | Confident | 74.5 | Confident | 66.5 Ų | 66.5 | 82.8 Ų | 82.8 | 47% | 0.465 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -66.9 | -37.4 | 172.9 | -173.3 | 0 | 0 | 0 | 0 | 112.8 | Q572 L573 S579 Q580 | Q572-S576 PolarHBondContact O-N 3.17Å; L573-S576 WeakPolarHBondContact O-CB 3.35Å; L573-S576 PolarHBondContact O-N 3.4Å; L573-S576 VanDerWaalsContact O-N 3.14Å; S576-S579 PolarHBondContact O-N 2.86Å; S576-S579 PolarHBondContact O-OG 2.74Å; S576-S579 VanDerWaalsContact O-OG 3.05Å; S576-Q580 WeakPolarHBondContact O-CB 3.44Å; S576-Q580 PolarHBondContact O-N 2.97Å; S576-Q580 VanDerWaalsContact O-N 3.1Å |
| 577 | I | 81.5 | Confident | 72.3 | Confident | 5 Ų | 5 | 85 Ų | 85 | 3% | 0.026 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -67.3 | -42.6 | 176.6 | -65.3 | 167 | 0 | 0 | 0 | 109.8 | V536 F537 V540 L573 I574 Q580 I581 | V536-I577 HydrophobicContact CB-CD1 4.34Å; V536-I577 HydrophobicContact CG1-CD1 3.77Å; F537-I577 HydrophobicContact CB-CD1 4.21Å; F537-I577 HydrophobicContact CD2-CB 4.34Å; F537-I577 HydrophobicContact CD2-CD1 4.4Å; F537-I577 HydrophobicContact CD2-CG1 4.03Å; F537-I577 HydrophobicContact CD2-CG2 3.94Å; F537-I577 HydrophobicContact CE2-CG2 4.09Å; V540-I577 HydrophobicContact CB-CG2 4.17Å; V540-I577 HydrophobicContact CG1-CG2 3.79Å; L573-I577 HydrophobicContact CD2-CD1 4.32Å; L573-I577 HydrophobicContact CG-CD1 3.91Å; L573-I577 HydrophobicContact CG-CG1 4.5Å; L573-I577 VanDerWaalsContact O-CG1 3.25Å; L573-I577 WeakPolarHBondContact O-CG1 3.41Å; L573-I577 PolarHBondContact O-N 2.73Å; I574-I577 PolarHBondContact O-N 3.08Å; I577-Q580 PolarHBondContact O-N 3.06Å; I577-Q580 VanDerWaalsContact O-N 3.15Å; I577-I581 HydrophobicContact CG2-CD1 3.63Å; I577-I581 HydrophobicContact CG2-CG1 4.33Å; I577-I581 WeakPolarHBondContact O-CB 3.29Å; I577-I581 WeakPolarHBondContact O-CG1 3.39Å; I577-I581 PolarHBondContact O-N 3.1Å |
| 578 | L | 79.9 | Confident | 70 | Confident | 30 Ų | 30 | 89.3 Ų | 89.3 | 16% | 0.157 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -62.8 | -42.5 | 176.8 | -76.2 | 170.9 | 0 | 0 | 0 | 112.4 | I546 L554 I574 E575 Q580 I581 M582 | I546-L578 HydrophobicContact CG2-CD2 3.49Å; L554-L578 HydrophobicContact CD1-CD1 3.85Å; L554-L578 HydrophobicContact CD1-CD2 3.76Å; L554-L578 HydrophobicContact CD1-CG 4.18Å; I574-L578 HydrophobicContact CG2-CD1 4.03Å; I574-L578 HydrophobicContact CG2-CG 4.41Å; I574-L578 WeakPolarHBondContact O-CB 3.3Å; I574-L578 VanDerWaalsContact O-CG 3.26Å; I574-L578 WeakPolarHBondContact O-CG 3.3Å; I574-L578 PolarHBondContact O-N 3.14Å; E575-L578 PolarHBondContact O-N 3.48Å; L578-Q580 PolarHBondContact O-N 3Å; L578-I581 PolarHBondContact O-N 3.26Å; L578-M582 VanDerWaalsContact O-CB 3.31Å; L578-M582 WeakPolarHBondContact O-CB 3.29Å; L578-M582 VanDerWaalsContact O-CG 3.27Å; L578-M582 WeakPolarHBondContact O-CG 3.24Å; L578-M582 PolarHBondContact O-N 3.25Å |
| 579 | S | 77.7 | Confident | 67.7 | Low | 66 Ų | 66 | 94.2 Ų | 94.2 | 46% | 0.462 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -60.6 | -42.2 | 174.5 | 140.2 | 0 | 0 | 0 | 0 | 111.2 | E575 S576 I581 M582 D583 | E575-S579 PolarHBondContact O-N 3.03Å; S576-S579 PolarHBondContact O-N 2.86Å; S576-S579 PolarHBondContact O-OG 2.74Å; S576-S579 VanDerWaalsContact O-OG 3.05Å; S579-I581 VanDerWaalsContact C-N 3.3Å; S579-I581 PolarHBondContact O-N 2.84Å; S579-M582 PolarHBondContact O-N 3.25Å; S579-D583 WeakPolarHBondContact O-CB 3.46Å; S579-D583 PolarHBondContact O-N 2.86Å; S579-D583 PolarHBondContact OG-OD2 3.47Å |
| 580 | Q | 72.9 | Confident | 65.4 | Low | 120 Ų | 120 | 95.2 Ų | 95.2 | 56% | 0.561 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -67.9 | -36.1 | -179.9 | -115.6 | 177.9 | -4.8 | 0 | 0 | 113.3 | S576 I577 L578 M582 | S576-Q580 WeakPolarHBondContact O-CB 3.44Å; S576-Q580 PolarHBondContact O-N 2.97Å; S576-Q580 VanDerWaalsContact O-N 3.1Å; I577-Q580 PolarHBondContact O-N 3.06Å; I577-Q580 VanDerWaalsContact O-N 3.15Å; L578-Q580 PolarHBondContact O-N 3Å; Q580-M582 VanDerWaalsContact C-N 3.34Å |
| 581 | I | 67.6 | Low | 62.7 | Low | 48 Ų | 48 | 101.5 Ų | 101.5 | 25% | 0.246 | 51% | 0.513 | C | S | . | . | H | α-helix | trans | -77.7 | -30.1 | 178 | -67.4 | 173.8 | 0 | 0 | 0 | 111.9 | F537 V540 I546 I577 L578 S579 D583 | F537-I581 HydrophobicContact CE2-CD1 4.49Å; F537-I581 HydrophobicContact CE2-CG1 4.38Å; V540-I581 HydrophobicContact CG1-CD1 4.17Å; I546-I581 HydrophobicContact CD1-CD1 4.17Å; I546-I581 HydrophobicContact CD1-CG2 4.21Å; I577-I581 HydrophobicContact CG2-CD1 3.63Å; I577-I581 HydrophobicContact CG2-CG1 4.33Å; I577-I581 WeakPolarHBondContact O-CB 3.29Å; I577-I581 WeakPolarHBondContact O-CG1 3.39Å; I577-I581 PolarHBondContact O-N 3.1Å; L578-I581 PolarHBondContact O-N 3.26Å; S579-I581 VanDerWaalsContact C-N 3.3Å; S579-I581 PolarHBondContact O-N 2.84Å; I581-D583 VanDerWaalsContact C-N 3.35Å; I581-D583 PolarHBondContact O-N 3.19Å |
| 582 | M | 64.1 | Low | 60.1 | Low | 125 Ų | 125 | 103 Ų | 103 | 62% | 0.616 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -85.9 | -21.8 | -176.4 | -71.6 | -177.6 | 62.3 | 0 | 0 | 114.7 | L578 S579 Q580 D584 | L578-M582 VanDerWaalsContact O-CB 3.31Å; L578-M582 WeakPolarHBondContact O-CB 3.29Å; L578-M582 VanDerWaalsContact O-CG 3.27Å; L578-M582 WeakPolarHBondContact O-CG 3.24Å; L578-M582 PolarHBondContact O-N 3.25Å; S579-M582 PolarHBondContact O-N 3.25Å; Q580-M582 VanDerWaalsContact C-N 3.34Å; M582-D584 VanDerWaalsContact C-N 3.27Å; M582-D584 PolarHBondContact O-N 2.92Å |
| 583 | D | 56.4 | Low | 57.6 | Low | 128 Ų | 128 | 101.4 Ų | 101.4 | 68% | 0.684 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -75.7 | -17.2 | -179.4 | -80.9 | -32.1 | 0 | 0 | 0 | 113.3 | S579 I581 H585 | S579-D583 WeakPolarHBondContact O-CB 3.46Å; S579-D583 PolarHBondContact O-N 2.86Å; S579-D583 PolarHBondContact OG-OD2 3.47Å; I581-D583 VanDerWaalsContact C-N 3.35Å; I581-D583 PolarHBondContact O-N 3.19Å; D583-H585 PolarHBondContact O-N 2.87Å |
| 584 | D | 46.2 | Very low | 55.1 | Low | 126.5 Ų | 126.5 | 103.1 Ų | 103.1 | 68% | 0.676 | 54% | 0.535 | S | S | * | . | trans | -87.4 | 92.6 | -179.2 | -104 | -13.8 | 0 | 0 | 0 | 112.4 | M582 E586 M587 | M582-D584 VanDerWaalsContact C-N 3.27Å; M582-D584 PolarHBondContact O-N 2.92Å; D584-E586 VanDerWaalsContact C-N 3.26Å; D584-E586 PolarHBondContact O-N 3.29Å; D584-M587 PolarHBondContact O-N 3.32Å | ||
| 585 | H | 43.6 | Very low | 52.6 | Low | 183 Ų | 183 | 112.4 Ų | 112.4 | 85% | 0.847 | 57% | 0.571 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.2 | 30.9 | -167.7 | -104.5 | -59.2 | 0 | 0 | 0 | 116.9 | D583 M587 | D583-H585 PolarHBondContact O-N 2.87Å; H585-M587 VanDerWaalsContact C-N 3.35Å; H585-M587 PolarHBondContact O-N 3.28Å |
| 586 | E | 39.4 | Very low | 50.5 | Low | 159 Ų | 159 | 111.3 Ų | 111.3 | 74% | 0.743 | 57% | 0.566 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.5 | -0.1 | -169.6 | -103.9 | -133.2 | 155.1 | 0 | 0 | 115.6 | D584 N588 | D584-E586 VanDerWaalsContact C-N 3.26Å; D584-E586 PolarHBondContact O-N 3.29Å; E586-N588 PolarHBondContact O-N 3.23Å |
| 587 | M | 35.7 | Very low | 48.4 | Very low | 157 Ų | 157 | 116.3 Ų | 116.3 | 77% | 0.773 | 58% | 0.582 | S | S | * | * | G | 310 helix | trans | -75.7 | 48.7 | -178.9 | -78.5 | -66.2 | -140.1 | 0 | 0 | 113.9 | D584 H585 | D584-M587 PolarHBondContact O-N 3.32Å; H585-M587 VanDerWaalsContact C-N 3.35Å; H585-M587 PolarHBondContact O-N 3.28Å |
| 588 | N | 34.5 | Very low | 46.3 | Very low | 135 Ų | 135 | 123.4 Ų | 123.4 | 72% | 0.722 | 61% | 0.614 | S | S | * | * | G | 310 helix | trans | -46.9 | 63.5 | 164.4 | -72.9 | -41.2 | 0 | 0 | 0 | 117.5 | E586 V590 | E586-N588 PolarHBondContact O-N 3.23Å; N588-V590 VanDerWaalsContact C-N 3.33Å; N588-V590 WeakPolarHBondContact O-CA 3.48Å; N588-V590 WeakPolarHBondContact O-CG2 3.41Å; N588-V590 PolarHBondContact O-N 3Å |
| 589 | K | 36.1 | Very low | 44.6 | Very low | 190 Ų | 190 | 124.3 Ų | 124.3 | 83% | 0.826 | 62% | 0.621 | S | S | * | * | trans | -49.6 | 46.8 | 155.2 | -68.6 | -177.9 | 179.5 | 175.2 | 0 | 115.2 | Q591 | K589-Q591 PolarHBondContact O-N 2.91Å; K589-Q591 VanDerWaalsContact O-N 3.08Å | ||
| 590 | V | 33.5 | Very low | 42.8 | Very low | 132 Ų | 132 | 127.9 Ų | 127.9 | 80% | 0.8 | 63% | 0.63 | S | S | * | * | trans | -72.3 | 101 | -177.2 | -173.1 | 0 | 0 | 0 | 0 | 109.6 | N588 | N588-V590 VanDerWaalsContact C-N 3.33Å; N588-V590 WeakPolarHBondContact O-CA 3.48Å; N588-V590 WeakPolarHBondContact O-CG2 3.41Å; N588-V590 PolarHBondContact O-N 3Å | ||
| 591 | Q | 31.9 | Very low | 41.5 | Very low | 131.5 Ų | 131.5 | 125.1 Ų | 125.1 | 61% | 0.614 | 62% | 0.618 | S | S | * | * | trans | -99 | 128.1 | 171.8 | -72.2 | 179.8 | -38.8 | 0 | 0 | 109.5 | K589 L593 Q655 | K589-Q591 PolarHBondContact O-N 2.91Å; K589-Q591 VanDerWaalsContact O-N 3.08Å; Q591-L593 PolarHBondContact O-N 3.26Å; Q591-L593 VanDerWaalsContact O-N 3.08Å; Q591-Q655 VanDerWaalsContact OE1-NE2 3.08Å; Q591-Q655 VanDerWaalsContact OE1-OE1 3.08Å | ||
| 592 | P | 31.6 | Very low | 40.2 | Very low | 86.5 Ų | 86.5 | 125.3 Ų | 125.3 | 56% | 0.562 | 62% | 0.623 | S | S | * | * | trans | -64.3 | 118.2 | 170.8 | 26.8 | -31.8 | 0 | 0 | 0 | 109 | V594 | P592-V594 HydrophobicContact CB-CG2 4.43Å; P592-V594 WeakPolarHBondContact O-CG2 3.31Å; P592-V594 PolarHBondContact O-N 3.37Å | ||
| 593 | L | 33.5 | Very low | 39.1 | Very low | 99.5 Ų | 99.5 | 126.4 Ų | 126.4 | 52% | 0.521 | 63% | 0.632 | S | S | . | * | trans | -73.2 | 105.2 | 173.2 | -167.7 | 75.5 | 0 | 0 | 0 | 108.5 | K542 Q591 Y595 | K542-L593 HydrophobicContact CB-CD2 4.1Å; K542-L593 HydrophobicContact CG-CD2 3.94Å; Q591-L593 PolarHBondContact O-N 3.26Å; Q591-L593 VanDerWaalsContact O-N 3.08Å; L593-Y595 HydrophobicContact CD2-CE1 4.37Å; L593-Y595 HydrophobicContact CD2-CE2 3.99Å; L593-Y595 WeakPolarHBondContact CD2-OH 3.27Å; L593-Y595 HydrophobicContact CG-CE2 4.5Å | ||
| 594 | V | 35.3 | Very low | 38.7 | Very low | 73.5 Ų | 73.5 | 123 Ų | 123 | 45% | 0.445 | 61% | 0.613 | S | S | . | * | trans | -95.1 | 126.4 | 179.5 | -170.8 | 0 | 0 | 0 | 0 | 109.6 | P592 H596 Q652 | P592-V594 HydrophobicContact CB-CG2 4.43Å; P592-V594 WeakPolarHBondContact O-CG2 3.31Å; P592-V594 PolarHBondContact O-N 3.37Å; V594-H596 WeakPolarHBondContact CG1-NE2 3.33Å; V594-H596 PolarHBondContact O-N 2.77Å; V594-Q652 VanDerWaalsContact N-NE2 3.18Å; V594-Q652 PolarHBondContact O-NE2 2.86Å | ||
| 595 | Y | 35.3 | Very low | 38.6 | Very low | 195 Ų | 195 | 118.5 Ų | 118.5 | 77% | 0.765 | 59% | 0.589 | S | S | * | * | trans | -79.5 | 105.3 | 178 | -72.1 | -91.4 | 0 | 0 | 0 | 111.2 | L593 | L593-Y595 HydrophobicContact CD2-CE1 4.37Å; L593-Y595 HydrophobicContact CD2-CE2 3.99Å; L593-Y595 WeakPolarHBondContact CD2-OH 3.27Å; L593-Y595 HydrophobicContact CG-CE2 4.5Å | ||
| 596 | H | 41.6 | Very low | 38.8 | Very low | 79.5 Ų | 79.5 | 113.3 Ų | 113.3 | 37% | 0.368 | 57% | 0.57 | S | S | . | * | trans | -109.7 | 97.2 | 178.5 | -67 | -56.1 | 0 | 0 | 0 | 111.9 | V594 H598 V599 I624 W650 | V594-H596 WeakPolarHBondContact CG1-NE2 3.33Å; V594-H596 PolarHBondContact O-N 2.77Å; H596-H598 VanDerWaalsContact C-N 3.32Å; H596-H598 PolarHBondContact O-N 3.48Å; H596-V599 HydrophobicContact CB-CG2 4.34Å; H596-I624 VanDerWaalsContact CE1-CD1 3.45Å; H596-I624 WeakPolarHBondContact CE1-CD1 3.39Å; H596-I624 WeakPolarHBondContact NE2-CD1 3.28Å; H596-W650 AromaticContact CE1-CD1 3.66Å; H596-W650 AromaticContact CE1-NE1 3.88Å; H596-W650 AromaticContact ND1-CD1 3.96Å; H596-W650 AromaticContact ND1-NE1 3.73Å; H596-W650 PolarHBondContact NE2-O 3.41Å; H596-W650 VanDerWaalsContact NE2-O 3.13Å | ||
| 597 | H | 37.8 | Very low | 39.2 | Very low | 172.5 Ų | 172.5 | 110.2 Ų | 110.2 | 80% | 0.799 | 56% | 0.556 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.9 | -16.6 | 171.6 | -141.2 | 20.6 | 0 | 0 | 0 | 114 | ||
| 598 | H | 37.6 | Very low | 39.8 | Very low | 154 Ų | 154 | 109.2 Ų | 109.2 | 71% | 0.713 | 55% | 0.55 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -117.2 | 18.1 | -171.9 | -65.6 | -59.3 | 0 | 0 | 0 | 115.5 | H596 H600 | H596-H598 VanDerWaalsContact C-N 3.32Å; H596-H598 PolarHBondContact O-N 3.48Å; H598-H600 PolarHBondContact O-N 2.97Å |
| 599 | V | 43.5 | Very low | 40.5 | Very low | 48 Ų | 48 | 106.4 Ų | 106.4 | 29% | 0.291 | 53% | 0.532 | S | S | . | . | trans | -79.4 | 91.9 | 171 | -173.1 | 0 | 0 | 0 | 0 | 109 | H596 L601 I604 F637 | H596-V599 HydrophobicContact CB-CG2 4.34Å; V599-L601 VanDerWaalsContact C-N 3.29Å; V599-L601 HydrophobicContact CG1-CD1 3.82Å; V599-L601 PolarHBondContact O-N 3.35Å; V599-I604 HydrophobicContact CG1-CD1 4.08Å; V599-F637 HydrophobicContact CG1-CD2 4.07Å; V599-F637 HydrophobicContact CG1-CE2 4.25Å; V599-F637 HydrophobicContact CG2-CE2 4.15Å | ||
| 600 | H | 40.4 | Very low | 41.2 | Very low | 142.5 Ų | 142.5 | 98 Ų | 98 | 66% | 0.66 | 50% | 0.496 | S | S | * | . | trans | -69.7 | 85.5 | 167.4 | -123.1 | -80.9 | 0 | 0 | 0 | 109 | H598 P602 N603 | H598-H600 PolarHBondContact O-N 2.97Å; H600-P602 VanDerWaalsContact C-N 3.28Å; H600-P602 WeakPolarHBondContact ND1-CD 3.28Å; H600-P602 WeakPolarHBondContact O-CD 3.38Å; H600-P602 VanDerWaalsContact O-N 3.09Å; H600-N603 PolarHBondContact O-N 2.9Å | ||
| 601 | L | 45.6 | Very low | 42.1 | Very low | 60.3333 Ų | 60.3333 | 96 Ų | 96 | 32% | 0.316 | 48% | 0.478 | S | S | . | . | trans | -56.5 | 103 | 163.6 | -111.2 | 83.9 | 0 | 0 | 0 | 109.4 | V599 N603 I604 L605 I610 I623 I624 | V599-L601 VanDerWaalsContact C-N 3.29Å; V599-L601 HydrophobicContact CG1-CD1 3.82Å; V599-L601 PolarHBondContact O-N 3.35Å; L601-N603 PolarHBondContact O-N 3.34Å; L601-I604 WeakPolarHBondContact O-CB 3.04Å; L601-I604 PolarHBondContact O-N 3.37Å; L601-L605 HydrophobicContact CD2-CD1 3.9Å; L601-L605 HydrophobicContact CG-CD1 4.11Å; L601-L605 PolarHBondContact O-N 3.44Å; L601-I610 HydrophobicContact CD2-CD1 3.92Å; L601-I623 HydrophobicContact CD1-CD1 3.76Å; L601-I623 HydrophobicContact CD2-CD1 3.86Å; L601-I623 HydrophobicContact CG-CD1 3.88Å; L601-I624 HydrophobicContact CD1-CD1 4Å; L601-I624 HydrophobicContact CD1-CG1 4.11Å | ||
| 602 | P | 40.3 | Very low | 43.1 | Very low | 52.6667 Ų | 52.6667 | 96.1 Ų | 96.1 | 34% | 0.342 | 48% | 0.479 | S | S | . | . | trans | -66 | 144.8 | -179.5 | 10.6 | -13 | 0 | 0 | 0 | 112.5 | H600 I604 L605 M607 I610 Q652 | H600-P602 VanDerWaalsContact C-N 3.28Å; H600-P602 WeakPolarHBondContact ND1-CD 3.28Å; H600-P602 WeakPolarHBondContact O-CD 3.38Å; H600-P602 VanDerWaalsContact O-N 3.09Å; P602-I604 VanDerWaalsContact C-N 3.33Å; P602-I604 PolarHBondContact O-N 3.04Å; P602-L605 CarbonylContact C-O 3.6Å; P602-M607 HydrophobicContact CB-CE 4.4Å; P602-I610 HydrophobicContact CB-CD1 3.64Å; P602-I610 HydrophobicContact CG-CD1 4.03Å; P602-Q652 VanDerWaalsContact CG-NE2 3.32Å | ||
| 603 | N | 41.6 | Very low | 43.9 | Very low | 148.667 Ų | 148.667 | 94.3 Ų | 94.3 | 80% | 0.795 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.4 | 20.7 | -171.1 | -63.6 | -16 | 0 | 0 | 0 | 115.2 | H600 L601 S636 | H600-N603 PolarHBondContact O-N 2.9Å; L601-N603 PolarHBondContact O-N 3.34Å; N603-S636 WeakPolarHBondContact CB-OG 3.48Å; N603-S636 PolarHBondContact O-OG 2.91Å |
| 604 | I | 46.8 | Very low | 44.7 | Very low | 57 Ų | 57 | 92.7 Ų | 92.7 | 29% | 0.292 | 46% | 0.459 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.3 | -25.4 | -178.3 | -59.4 | 178.6 | 0 | 0 | 0 | 111.5 | V599 L601 P602 I623 P642 M645 | V599-I604 HydrophobicContact CG1-CD1 4.08Å; L601-I604 WeakPolarHBondContact O-CB 3.04Å; L601-I604 PolarHBondContact O-N 3.37Å; P602-I604 VanDerWaalsContact C-N 3.33Å; P602-I604 PolarHBondContact O-N 3.04Å; I604-I623 HydrophobicContact CG2-CG2 4.19Å; I604-P642 HydrophobicContact CG2-CG 3.79Å; I604-M645 HydrophobicContact CD1-SD 4.36Å |
| 605 | L | 44.2 | Very low | 45.5 | Very low | 31.6667 Ų | 31.6667 | 96.3 Ų | 96.3 | 17% | 0.166 | 48% | 0.476 | C | S | . | . | S | Bend | trans | -128.3 | 129 | 175.1 | -66.4 | 173.5 | 0 | 0 | 0 | 110.5 | L601 P602 E609 I610 I623 F637 A640 W650 | L601-L605 HydrophobicContact CD2-CD1 3.9Å; L601-L605 HydrophobicContact CG-CD1 4.11Å; L601-L605 PolarHBondContact O-N 3.44Å; P602-L605 CarbonylContact C-O 3.6Å; L605-E609 HydrophobicContact CD2-CB 4.17Å; L605-I610 HydrophobicContact CB-CD1 4.25Å; L605-I610 HydrophobicContact CB-CG1 4.1Å; L605-I610 HydrophobicContact CD1-CD1 4.18Å; L605-I610 HydrophobicContact CD1-CG1 4.24Å; L605-I623 HydrophobicContact CD1-CD1 4.47Å; L605-I623 HydrophobicContact CD2-CG1 4.38Å; L605-F637 HydrophobicContact CD1-CE2 3.56Å; L605-F637 HydrophobicContact CD1-CZ 3.96Å; L605-A640 HydrophobicContact CD1-CB 3.97Å; L605-W650 HydrophobicContact CD1-CH2 4.14Å; L605-W650 HydrophobicContact CD1-CZ2 3.87Å; L605-W650 HydrophobicContact CD2-CZ2 3.78Å; L605-W650 HydrophobicContact CG-CZ2 4.3Å |
| 606 | T | 47.8 | Very low | 46.1 | Very low | 74.3333 Ų | 74.3333 | 90.3 Ų | 90.3 | 46% | 0.456 | 46% | 0.457 | S | S | . | . | trans | -69.5 | 154.4 | 167.2 | 62.3 | 0 | 0 | 0 | 0 | 110.6 | E608 E609 I610 | T606-E608 VanDerWaalsContact C-N 3.27Å; T606-E608 PolarHBondContact O-N 3.26Å; T606-E609 WeakPolarHBondContact CB-OE2 3.38Å; T606-E609 WeakPolarHBondContact CG2-OE2 3.43Å; T606-E609 PolarHBondContact N-OE2 3.2Å; T606-E609 CarbonylContact O-C 3.58Å; T606-E609 WeakPolarHBondContact O-CA 3.45Å; T606-E609 WeakPolarHBondContact O-CB 3.44Å; T606-E609 PolarHBondContact O-N 3.19Å; T606-E609 VanDerWaalsContact OG1-CD 3.32Å; T606-E609 VanDerWaalsContact OG1-CG 3.28Å; T606-E609 WeakPolarHBondContact OG1-CG 3.41Å; T606-E609 PolarHBondContact OG1-N 3.05Å; T606-E609 VanDerWaalsContact OG1-N 3.13Å; T606-E609 PolarHBondContact OG1-OE2 3.09Å; T606-I610 WeakPolarHBondContact O-CG1 3.31Å; T606-I610 PolarHBondContact O-N 3.32Å; T606-I610 VanDerWaalsContact O-N 3.12Å | ||
| 607 | M | 47.9 | Very low | 46.4 | Very low | 93.3333 Ų | 93.3333 | 95.4 Ų | 95.4 | 46% | 0.46 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -60.3 | -27.5 | 175 | -77.3 | -68.8 | -93.2 | 0 | 0 | 112.8 | P602 E609 I610 Q611 I623 | P602-M607 HydrophobicContact CB-CE 4.4Å; M607-E609 VanDerWaalsContact C-N 3.31Å; M607-E609 PolarHBondContact O-N 2.66Å; M607-I610 HydrophobicContact CE-CD1 3.97Å; M607-I610 PolarHBondContact O-N 3.04Å; M607-I610 HydrophobicContact SD-CD1 4.23Å; M607-Q611 WeakPolarHBondContact O-CB 3.41Å; M607-Q611 WeakPolarHBondContact O-CG 3.4Å; M607-Q611 PolarHBondContact O-N 3.14Å; M607-Q611 VanDerWaalsContact O-N 3.13Å; M607-I623 HydrophobicContact CE-CB 4.28Å; M607-I623 HydrophobicContact CE-CD1 3.89Å; M607-I623 HydrophobicContact CE-CG2 4.21Å |
| 608 | E | 49.2 | Very low | 46.8 | Very low | 135.667 Ų | 135.667 | 88.6 Ų | 88.6 | 63% | 0.634 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -67.6 | -39.3 | 173.9 | -64.7 | -171.9 | 153.4 | 0 | 0 | 111.9 | T606 I610 Q611 Q612 | T606-E608 VanDerWaalsContact C-N 3.27Å; T606-E608 PolarHBondContact O-N 3.26Å; E608-I610 VanDerWaalsContact C-N 3.28Å; E608-I610 PolarHBondContact O-N 3.21Å; E608-Q611 PolarHBondContact O-N 3.15Å; E608-Q612 WeakPolarHBondContact O-CB 3.39Å; E608-Q612 VanDerWaalsContact O-CG 3.25Å; E608-Q612 WeakPolarHBondContact O-CG 3.35Å; E608-Q612 PolarHBondContact O-N 2.99Å |
| 609 | E | 49.8 | Very low | 47.2 | Very low | 75.6667 Ų | 75.6667 | 84.6 Ų | 84.6 | 35% | 0.354 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -70.3 | -33 | 176.1 | -70.6 | 162 | 132.4 | 0 | 0 | 112.2 | L605 T606 M607 Q611 Q612 S613 R626 | L605-E609 HydrophobicContact CD2-CB 4.17Å; T606-E609 WeakPolarHBondContact CB-OE2 3.38Å; T606-E609 WeakPolarHBondContact CG2-OE2 3.43Å; T606-E609 PolarHBondContact N-OE2 3.2Å; T606-E609 CarbonylContact O-C 3.58Å; T606-E609 WeakPolarHBondContact O-CA 3.45Å; T606-E609 WeakPolarHBondContact O-CB 3.44Å; T606-E609 PolarHBondContact O-N 3.19Å; T606-E609 VanDerWaalsContact OG1-CD 3.32Å; T606-E609 VanDerWaalsContact OG1-CG 3.28Å; T606-E609 WeakPolarHBondContact OG1-CG 3.41Å; T606-E609 PolarHBondContact OG1-N 3.05Å; T606-E609 VanDerWaalsContact OG1-N 3.13Å; T606-E609 PolarHBondContact OG1-OE2 3.09Å; M607-E609 VanDerWaalsContact C-N 3.31Å; M607-E609 PolarHBondContact O-N 2.66Å; E609-Q611 VanDerWaalsContact C-N 3.3Å; E609-Q612 PolarHBondContact O-N 3.29Å; E609-S613 VanDerWaalsContact O-CB 3.31Å; E609-S613 WeakPolarHBondContact O-CB 3.31Å; E609-S613 PolarHBondContact O-N 3.09Å; E609-S613 PolarHBondContact O-OG 2.99Å; E609-R626 IonicContact OE1-CZ 2.78Å; E609-R626 IonicContact OE1-NH1 3.16Å; E609-R626 PolarHBondContact OE1-NH1 3.25Å; E609-R626 IonicContact OE1-NH2 3.29Å; E609-R626 PolarHBondContact OE1-NH2 2.85Å; E609-R626 IonicContact OE2-CZ 3.01Å; E609-R626 IonicContact OE2-NH1 3.86Å; E609-R626 PolarHBondContact OE2-NH1 3.47Å; E609-R626 IonicContact OE2-NH2 3.96Å |
| 610 | I | 49.9 | Very low | 47.4 | Very low | 14 Ų | 14 | 86 Ų | 86 | 7% | 0.072 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -67.1 | -40.7 | 171.5 | -60.5 | 174.9 | 0 | 0 | 0 | 110.3 | L601 P602 L605 T606 M607 E608 Q612 S613 M614 I623 F637 | L601-I610 HydrophobicContact CD2-CD1 3.92Å; P602-I610 HydrophobicContact CB-CD1 3.64Å; P602-I610 HydrophobicContact CG-CD1 4.03Å; L605-I610 HydrophobicContact CB-CD1 4.25Å; L605-I610 HydrophobicContact CB-CG1 4.1Å; L605-I610 HydrophobicContact CD1-CD1 4.18Å; L605-I610 HydrophobicContact CD1-CG1 4.24Å; T606-I610 WeakPolarHBondContact O-CG1 3.31Å; T606-I610 PolarHBondContact O-N 3.32Å; T606-I610 VanDerWaalsContact O-N 3.12Å; M607-I610 HydrophobicContact CE-CD1 3.97Å; M607-I610 PolarHBondContact O-N 3.04Å; M607-I610 HydrophobicContact SD-CD1 4.23Å; E608-I610 VanDerWaalsContact C-N 3.28Å; E608-I610 PolarHBondContact O-N 3.21Å; I610-Q612 VanDerWaalsContact C-N 3.34Å; I610-Q612 PolarHBondContact O-N 2.91Å; I610-S613 WeakPolarHBondContact CA-OG 3.4Å; I610-S613 PolarHBondContact O-N 3.45Å; I610-S613 PolarHBondContact O-OG 2.95Å; I610-M614 HydrophobicContact CG2-CE 3.88Å; I610-M614 HydrophobicContact CG2-CG 4.46Å; I610-M614 HydrophobicContact CG2-SD 4.21Å; I610-M614 WeakPolarHBondContact O-CB 3.37Å; I610-M614 WeakPolarHBondContact O-CG 3.35Å; I610-M614 PolarHBondContact O-N 3.34Å; I610-I623 HydrophobicContact CG2-CG2 3.96Å; I610-F637 HydrophobicContact CD1-CE2 4.4Å |
| 611 | Q | 51.9 | Low | 47.9 | Very low | 90 Ų | 90 | 82.2 Ų | 82.2 | 42% | 0.421 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -66 | -40.2 | 174.4 | -77.4 | 176.9 | -27.2 | 0 | 0 | 112.6 | M607 E608 E609 N615 L616 S618 I623 | M607-Q611 WeakPolarHBondContact O-CB 3.41Å; M607-Q611 WeakPolarHBondContact O-CG 3.4Å; M607-Q611 PolarHBondContact O-N 3.14Å; M607-Q611 VanDerWaalsContact O-N 3.13Å; E608-Q611 PolarHBondContact O-N 3.15Å; E609-Q611 VanDerWaalsContact C-N 3.3Å; Q611-N615 PolarHBondContact O-N 3.09Å; Q611-N615 VanDerWaalsContact O-N 3.17Å; Q611-N615 PolarHBondContact O-ND2 2.74Å; Q611-L616 PolarHBondContact O-N 2.82Å; Q611-S618 PolarHBondContact NE2-O 3.28Å; Q611-I623 HydrophobicContact CG-CD1 3.54Å |
| 612 | Q | 53.7 | Low | 48.5 | Very low | 133.667 Ų | 133.667 | 82 Ų | 82 | 63% | 0.625 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -67.2 | -43.2 | 176.5 | -73.3 | 175.5 | 29.4 | 0 | 0 | 112.1 | E608 E609 I610 M614 N615 L616 | E608-Q612 WeakPolarHBondContact O-CB 3.39Å; E608-Q612 VanDerWaalsContact O-CG 3.25Å; E608-Q612 WeakPolarHBondContact O-CG 3.35Å; E608-Q612 PolarHBondContact O-N 2.99Å; E609-Q612 PolarHBondContact O-N 3.29Å; I610-Q612 VanDerWaalsContact C-N 3.34Å; I610-Q612 PolarHBondContact O-N 2.91Å; Q612-M614 PolarHBondContact O-N 3.4Å; Q612-N615 CarbonylContact O-C 3.55Å; Q612-N615 PolarHBondContact O-N 3.05Å; Q612-N615 VanDerWaalsContact O-N 3.14Å; Q612-L616 PolarHBondContact O-N 2.88Å |
| 613 | S | 48.3 | Very low | 49.6 | Very low | 48.6667 Ų | 48.6667 | 80.1 Ų | 80.1 | 34% | 0.34 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -70.8 | -29.2 | 179.2 | 54 | 0 | 0 | 0 | 0 | 113.7 | E609 I610 N615 L616 S618 | E609-S613 VanDerWaalsContact O-CB 3.31Å; E609-S613 WeakPolarHBondContact O-CB 3.31Å; E609-S613 PolarHBondContact O-N 3.09Å; E609-S613 PolarHBondContact O-OG 2.99Å; I610-S613 WeakPolarHBondContact CA-OG 3.4Å; I610-S613 PolarHBondContact O-N 3.45Å; I610-S613 PolarHBondContact O-OG 2.95Å; S613-N615 VanDerWaalsContact C-N 3.34Å; S613-L616 CarbonylContact C-O 3.6Å; S613-L616 WeakPolarHBondContact CA-O 3.34Å; S613-S618 VanDerWaalsContact CB-OG 3.25Å; S613-S618 WeakPolarHBondContact CB-OG 3.07Å |
| 614 | M | 50.4 | Low | 50.6 | Low | 67 Ų | 67 | 75.7 Ų | 75.7 | 33% | 0.33 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -81.6 | -16.2 | 173.9 | -69.2 | -169.9 | -175.7 | 0 | 0 | 114 | I610 Q612 L616 I623 L627 F637 | I610-M614 HydrophobicContact CG2-CE 3.88Å; I610-M614 HydrophobicContact CG2-CG 4.46Å; I610-M614 HydrophobicContact CG2-SD 4.21Å; I610-M614 WeakPolarHBondContact O-CB 3.37Å; I610-M614 WeakPolarHBondContact O-CG 3.35Å; I610-M614 PolarHBondContact O-N 3.34Å; Q612-M614 PolarHBondContact O-N 3.4Å; M614-L616 HydrophobicContact CB-CB 4.26Å; M614-L616 HydrophobicContact CB-CD1 4.04Å; M614-L616 HydrophobicContact CB-CG 3.9Å; M614-L616 WeakPolarHBondContact O-CG 3.44Å; M614-L616 PolarHBondContact O-N 3.29Å; M614-L616 HydrophobicContact SD-CD1 4.19Å; M614-I623 HydrophobicContact CE-CG2 4.38Å; M614-I623 HydrophobicContact SD-CG2 4.21Å; M614-L627 HydrophobicContact CE-CD1 4.14Å; M614-L627 HydrophobicContact CE-CD2 3.84Å; M614-L627 HydrophobicContact CE-CG 3.79Å; M614-F637 HydrophobicContact CE-CB 4.07Å; M614-F637 HydrophobicContact CE-CD2 4.48Å |
| 615 | N | 51.9 | Low | 51.4 | Low | 148 Ų | 148 | 75.3 Ų | 75.3 | 79% | 0.791 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 28.8 | 14.2 | -173.3 | -80.3 | -49.6 | 0 | 0 | 0 | 114 | Q611 Q612 S613 | Q611-N615 PolarHBondContact O-N 3.09Å; Q611-N615 VanDerWaalsContact O-N 3.17Å; Q611-N615 PolarHBondContact O-ND2 2.74Å; Q612-N615 CarbonylContact O-C 3.55Å; Q612-N615 PolarHBondContact O-N 3.05Å; Q612-N615 VanDerWaalsContact O-N 3.14Å; S613-N615 VanDerWaalsContact C-N 3.34Å |
| 616 | L | 47.3 | Very low | 52.6 | Low | 70 Ų | 70 | 76.3 Ų | 76.3 | 37% | 0.366 | 41% | 0.409 | S | S | . | . | trans | -115.4 | 115.7 | -176.8 | -71.8 | 170.3 | 0 | 0 | 0 | 111.1 | Q611 Q612 S613 M614 S618 R626 | Q611-L616 PolarHBondContact O-N 2.82Å; Q612-L616 PolarHBondContact O-N 2.88Å; S613-L616 CarbonylContact C-O 3.6Å; S613-L616 WeakPolarHBondContact CA-O 3.34Å; M614-L616 HydrophobicContact CB-CB 4.26Å; M614-L616 HydrophobicContact CB-CD1 4.04Å; M614-L616 HydrophobicContact CB-CG 3.9Å; M614-L616 WeakPolarHBondContact O-CG 3.44Å; M614-L616 PolarHBondContact O-N 3.29Å; M614-L616 HydrophobicContact SD-CD1 4.19Å; L616-S618 PolarHBondContact O-N 3.19Å; L616-R626 VanDerWaalsContact CD2-NH1 3.32Å | ||
| 617 | Q | 48.2 | Very low | 53.8 | Low | 186 Ų | 186 | 73.5 Ų | 73.5 | 87% | 0.869 | 39% | 0.391 | S | S | * | . | trans | -69.9 | 51.5 | 171.2 | -64.4 | -177.8 | -15.9 | 0 | 0 | 112.4 | S619 | Q617-S619 PolarHBondContact O-N 3.32Š| ||
| 618 | S | 45.9 | Very low | 55 | Low | 30 Ų | 30 | 70.7 Ų | 70.7 | 21% | 0.21 | 38% | 0.378 | C | S | . | . | trans | -104.9 | 138.9 | -178.6 | 55.7 | 0 | 0 | 0 | 0 | 111.2 | Q611 S613 L616 D622 I623 | Q611-S618 PolarHBondContact NE2-O 3.28Å; S613-S618 VanDerWaalsContact CB-OG 3.25Å; S613-S618 WeakPolarHBondContact CB-OG 3.07Å; L616-S618 PolarHBondContact O-N 3.19Å; S618-D622 VanDerWaalsContact CB-OD2 3.32Å; S618-D622 WeakPolarHBondContact CB-OD2 3.17Å; S618-I623 WeakPolarHBondContact OG-CG1 3.3Å | ||
| 619 | S | 47.3 | Very low | 56.1 | Low | 70.3333 Ų | 70.3333 | 67.4 Ų | 67.4 | 49% | 0.492 | 37% | 0.367 | S | S | . | . | trans | -60.3 | 155.4 | -178.7 | 53.7 | 0 | 0 | 0 | 0 | 113 | Q617 S621 D622 I623 | Q617-S619 PolarHBondContact O-N 3.32Å; S619-S621 VanDerWaalsContact C-N 3.26Å; S619-S621 PolarHBondContact O-N 3.34Å; S619-S621 VanDerWaalsContact O-N 3.14Å; S619-S621 PolarHBondContact O-OG 2.87Å; S619-S621 PolarHBondContact OG-OG 3.07Å; S619-D622 VanDerWaalsContact O-CB 3.25Å; S619-D622 WeakPolarHBondContact O-CB 3.3Å; S619-D622 PolarHBondContact O-N 3.04Å; S619-I623 WeakPolarHBondContact O-CG1 3.29Å; S619-I623 PolarHBondContact O-N 2.74Å | ||
| 620 | S | 47.9 | Very low | 57.5 | Low | 77.3333 Ų | 77.3333 | 70.4 Ų | 70.4 | 54% | 0.541 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -49.6 | -32.4 | 177 | 49.8 | 0 | 0 | 0 | 0 | 114.5 | D622 I623 I624 | S620-D622 VanDerWaalsContact C-N 3.27Å; S620-D622 PolarHBondContact O-N 3.25Å; S620-I623 PolarHBondContact O-N 3.25Å; S620-I624 PolarHBondContact O-N 3.06Å; S620-I624 VanDerWaalsContact O-N 3.09Å |
| 621 | S | 49.6 | Very low | 59.1 | Low | 61.3333 Ų | 61.3333 | 72.7 Ų | 72.7 | 43% | 0.429 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -59.4 | -34 | 176.3 | 59.9 | 0 | 0 | 0 | 0 | 113.9 | S619 I623 S625 | S619-S621 VanDerWaalsContact C-N 3.26Å; S619-S621 PolarHBondContact O-N 3.34Å; S619-S621 VanDerWaalsContact O-N 3.14Å; S619-S621 PolarHBondContact O-OG 2.87Å; S619-S621 PolarHBondContact OG-OG 3.07Å; S621-I623 VanDerWaalsContact C-N 3.34Å; S621-I623 PolarHBondContact O-N 3.06Å; S621-S625 VanDerWaalsContact O-CB 3.28Å; S621-S625 WeakPolarHBondContact O-CB 3.39Å; S621-S625 PolarHBondContact O-N 3.34Å |
| 622 | D | 58.9 | Low | 60.6 | Low | 57.6667 Ų | 57.6667 | 73.1 Ų | 73.1 | 31% | 0.308 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -75.4 | -32 | -177.6 | -138.9 | 0.5 | 0 | 0 | 0 | 111.3 | S618 S619 S620 I624 S625 R626 | S618-D622 VanDerWaalsContact CB-OD2 3.32Å; S618-D622 WeakPolarHBondContact CB-OD2 3.17Å; S619-D622 VanDerWaalsContact O-CB 3.25Å; S619-D622 WeakPolarHBondContact O-CB 3.3Å; S619-D622 PolarHBondContact O-N 3.04Å; S620-D622 VanDerWaalsContact C-N 3.27Å; S620-D622 PolarHBondContact O-N 3.25Å; D622-I624 PolarHBondContact O-N 2.85Å; D622-S625 PolarHBondContact O-N 3.08Å; D622-R626 VanDerWaalsContact CG-NE 3.27Å; D622-R626 VanDerWaalsContact CG-NH2 3.31Å; D622-R626 WeakPolarHBondContact O-CB 3.41Å; D622-R626 WeakPolarHBondContact O-CD 3.26Å; D622-R626 WeakPolarHBondContact O-CG 3.27Å; D622-R626 PolarHBondContact O-N 3.05Å; D622-R626 IonicContact OD1-CZ 3.16Å; D622-R626 IonicContact OD1-NE 3.03Å; D622-R626 PolarHBondContact OD1-NE 3.12Å; D622-R626 IonicContact OD1-NH2 2.66Å; D622-R626 PolarHBondContact OD1-NH2 3.12Å; D622-R626 IonicContact OD2-CZ 3.08Å; D622-R626 IonicContact OD2-NE 3.72Å; D622-R626 PolarHBondContact OD2-NE 3.16Å; D622-R626 IonicContact OD2-NH2 3.03Å; D622-R626 PolarHBondContact OD2-NH2 3.24Å |
| 623 | I | 62.4 | Low | 61.9 | Low | 12.6667 Ų | 12.6667 | 67.6 Ų | 67.6 | 7% | 0.065 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -65.4 | -48.2 | 176.8 | -62.3 | 170.3 | 0 | 0 | 0 | 110.8 | L601 I604 L605 M607 I610 Q611 M614 S618 S619 S620 S621 S625 R626 L627 | L601-I623 HydrophobicContact CD1-CD1 3.76Å; L601-I623 HydrophobicContact CD2-CD1 3.86Å; L601-I623 HydrophobicContact CG-CD1 3.88Å; I604-I623 HydrophobicContact CG2-CG2 4.19Å; L605-I623 HydrophobicContact CD1-CD1 4.47Å; L605-I623 HydrophobicContact CD2-CG1 4.38Å; M607-I623 HydrophobicContact CE-CB 4.28Å; M607-I623 HydrophobicContact CE-CD1 3.89Å; M607-I623 HydrophobicContact CE-CG2 4.21Å; I610-I623 HydrophobicContact CG2-CG2 3.96Å; Q611-I623 HydrophobicContact CG-CD1 3.54Å; M614-I623 HydrophobicContact CE-CG2 4.38Å; M614-I623 HydrophobicContact SD-CG2 4.21Å; S618-I623 WeakPolarHBondContact OG-CG1 3.3Å; S619-I623 WeakPolarHBondContact O-CG1 3.29Å; S619-I623 PolarHBondContact O-N 2.74Å; S620-I623 PolarHBondContact O-N 3.25Å; S621-I623 VanDerWaalsContact C-N 3.34Å; S621-I623 PolarHBondContact O-N 3.06Å; I623-S625 VanDerWaalsContact C-N 3.33Å; I623-S625 PolarHBondContact O-N 3.3Å; I623-R626 CarbonylContact O-C 3.53Å; I623-R626 WeakPolarHBondContact O-CB 3.48Å; I623-R626 PolarHBondContact O-N 3.15Å; I623-R626 VanDerWaalsContact O-N 3.16Å; I623-L627 HydrophobicContact CG2-CD1 4.13Å; I623-L627 HydrophobicContact CG2-CG 4.47Å; I623-L627 WeakPolarHBondContact O-CG 3.2Å; I623-L627 PolarHBondContact O-N 3.16Å |
| 624 | I | 63 | Low | 63.8 | Low | 54.6667 Ų | 54.6667 | 65.2 Ų | 65.2 | 28% | 0.28 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -66.6 | -40.6 | 179.1 | -64.2 | 174.1 | 0 | 0 | 0 | 110.5 | H596 L601 S620 D622 R626 L627 L628 | H596-I624 VanDerWaalsContact CE1-CD1 3.45Å; H596-I624 WeakPolarHBondContact CE1-CD1 3.39Å; H596-I624 WeakPolarHBondContact NE2-CD1 3.28Å; L601-I624 HydrophobicContact CD1-CD1 4Å; L601-I624 HydrophobicContact CD1-CG1 4.11Å; S620-I624 PolarHBondContact O-N 3.06Å; S620-I624 VanDerWaalsContact O-N 3.09Å; D622-I624 PolarHBondContact O-N 2.85Å; I624-R626 VanDerWaalsContact C-N 3.29Å; I624-R626 PolarHBondContact O-N 3.15Å; I624-L627 HydrophobicContact CG1-CD1 4.47Å; I624-L627 PolarHBondContact O-N 3.19Å; I624-L628 HydrophobicContact CG2-CD1 4.05Å; I624-L628 HydrophobicContact CG2-CG 4.35Å; I624-L628 WeakPolarHBondContact O-CG 3.42Å; I624-L628 PolarHBondContact O-N 3.02Å |
| 625 | S | 65.1 | Low | 65.5 | Low | 49.3333 Ų | 49.3333 | 62 Ų | 62 | 35% | 0.345 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -57.3 | -42.3 | 172.6 | -175.2 | 0 | 0 | 0 | 0 | 111.8 | S621 D622 I623 L628 T629 | S621-S625 VanDerWaalsContact O-CB 3.28Å; S621-S625 WeakPolarHBondContact O-CB 3.39Å; S621-S625 PolarHBondContact O-N 3.34Å; D622-S625 PolarHBondContact O-N 3.08Å; I623-S625 VanDerWaalsContact C-N 3.33Å; I623-S625 PolarHBondContact O-N 3.3Å; S625-L628 PolarHBondContact O-N 3.41Å; S625-T629 VanDerWaalsContact O-CB 3.28Å; S625-T629 WeakPolarHBondContact O-CB 3.43Å; S625-T629 VanDerWaalsContact O-CG2 3.24Å; S625-T629 WeakPolarHBondContact O-CG2 3.33Å; S625-T629 PolarHBondContact O-N 3.19Å; S625-T629 VanDerWaalsContact O-N 3.09Å; S625-T629 PolarHBondContact O-OG1 3.11Å |
| 626 | R | 67.7 | Low | 67 | Low | 53.6667 Ų | 53.6667 | 55.9 Ų | 55.9 | 20% | 0.203 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -69.9 | -42 | 176.9 | -72.5 | 170.8 | -170 | -152.4 | 5.7 | 113 | E609 L616 D622 I623 I624 L628 T629 R630 C633 | E609-R626 IonicContact OE1-CZ 2.78Å; E609-R626 IonicContact OE1-NH1 3.16Å; E609-R626 PolarHBondContact OE1-NH1 3.25Å; E609-R626 IonicContact OE1-NH2 3.29Å; E609-R626 PolarHBondContact OE1-NH2 2.85Å; E609-R626 IonicContact OE2-CZ 3.01Å; E609-R626 IonicContact OE2-NH1 3.86Å; E609-R626 PolarHBondContact OE2-NH1 3.47Å; E609-R626 IonicContact OE2-NH2 3.96Å; L616-R626 VanDerWaalsContact CD2-NH1 3.32Å; D622-R626 VanDerWaalsContact CG-NE 3.27Å; D622-R626 VanDerWaalsContact CG-NH2 3.31Å; D622-R626 WeakPolarHBondContact O-CB 3.41Å; D622-R626 WeakPolarHBondContact O-CD 3.26Å; D622-R626 WeakPolarHBondContact O-CG 3.27Å; D622-R626 PolarHBondContact O-N 3.05Å; D622-R626 IonicContact OD1-CZ 3.16Å; D622-R626 IonicContact OD1-NE 3.03Å; D622-R626 PolarHBondContact OD1-NE 3.12Å; D622-R626 IonicContact OD1-NH2 2.66Å; D622-R626 PolarHBondContact OD1-NH2 3.12Å; D622-R626 IonicContact OD2-CZ 3.08Å; D622-R626 IonicContact OD2-NE 3.72Å; D622-R626 PolarHBondContact OD2-NE 3.16Å; D622-R626 IonicContact OD2-NH2 3.03Å; D622-R626 PolarHBondContact OD2-NH2 3.24Å; I623-R626 CarbonylContact O-C 3.53Å; I623-R626 WeakPolarHBondContact O-CB 3.48Å; I623-R626 PolarHBondContact O-N 3.15Å; I623-R626 VanDerWaalsContact O-N 3.16Å; I624-R626 VanDerWaalsContact C-N 3.29Å; I624-R626 PolarHBondContact O-N 3.15Å; R626-L628 VanDerWaalsContact C-N 3.31Å; R626-L628 PolarHBondContact O-N 2.94Å; R626-T629 WeakPolarHBondContact CA-OG1 3.22Å; R626-T629 PolarHBondContact O-N 3.26Å; R626-T629 VanDerWaalsContact O-N 3.13Å; R626-T629 PolarHBondContact O-OG1 2.94Å; R626-R630 WeakPolarHBondContact O-CA 3.26Å; R626-R630 WeakPolarHBondContact O-CB 3.35Å; R626-R630 PolarHBondContact O-N 3.3Å; R626-C633 HydrophobicContact CB-CB 4.35Å |
| 627 | L | 74 | Confident | 68.8 | Low | 14.3333 Ų | 14.3333 | 53.3 Ų | 53.3 | 8% | 0.075 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -58.5 | -37.7 | 174.1 | -77.1 | 169.8 | 0 | 0 | 0 | 112 | M614 I623 I624 C633 V634 F637 F659 W663 | M614-L627 HydrophobicContact CE-CD1 4.14Å; M614-L627 HydrophobicContact CE-CD2 3.84Å; M614-L627 HydrophobicContact CE-CG 3.79Å; I623-L627 HydrophobicContact CG2-CD1 4.13Å; I623-L627 HydrophobicContact CG2-CG 4.47Å; I623-L627 WeakPolarHBondContact O-CG 3.2Å; I623-L627 PolarHBondContact O-N 3.16Å; I624-L627 HydrophobicContact CG1-CD1 4.47Å; I624-L627 PolarHBondContact O-N 3.19Å; L627-C633 HydrophobicContact CD2-CB 4.4Å; L627-C633 WeakPolarHBondContact CD2-O 3.33Å; L627-V634 HydrophobicContact CD2-CG2 4.42Å; L627-V634 WeakPolarHBondContact O-CG2 3.38Å; L627-F637 HydrophobicContact CD2-CB 3.71Å; L627-F637 HydrophobicContact CD2-CD1 4.45Å; L627-F637 HydrophobicContact CD2-CD2 4.32Å; L627-F637 HydrophobicContact CD2-CG 4.06Å; L627-F659 HydrophobicContact CB-CE1 4.17Å; L627-F659 HydrophobicContact CB-CZ 4.37Å; L627-F659 HydrophobicContact CD1-CZ 4.2Å; L627-F659 HydrophobicContact CD2-CE1 4.22Å; L627-F659 HydrophobicContact CD2-CZ 4.3Å; L627-F659 HydrophobicContact CG-CE1 4.48Å; L627-W663 PolarHBondContact O-NE1 3.07Å |
| 628 | L | 72.7 | Confident | 70.8 | Confident | 35.6667 Ų | 35.6667 | 44.4 Ų | 44.4 | 19% | 0.187 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -80.6 | -26 | 176.8 | -64.3 | 174.3 | 0 | 0 | 0 | 112.7 | I624 S625 R626 L658 R662 W663 | I624-L628 HydrophobicContact CG2-CD1 4.05Å; I624-L628 HydrophobicContact CG2-CG 4.35Å; I624-L628 WeakPolarHBondContact O-CG 3.42Å; I624-L628 PolarHBondContact O-N 3.02Å; S625-L628 PolarHBondContact O-N 3.41Å; R626-L628 VanDerWaalsContact C-N 3.31Å; R626-L628 PolarHBondContact O-N 2.94Å; L628-L658 VanDerWaalsContact CD2-O 3.29Å; L628-L658 WeakPolarHBondContact CD2-O 3.34Å; L628-R662 HydrophobicContact CD2-CB 4.24Å; L628-R662 HydrophobicContact CD2-CG 4.38Å; L628-R662 WeakPolarHBondContact O-CD 3.34Å; L628-R662 WeakPolarHBondContact O-CG 3.37Å; L628-R662 PolarHBondContact O-NE 3.25Å; L628-R662 PolarHBondContact O-NH1 3.16Å; L628-R662 PolarHBondContact O-NH2 3.49Å; L628-W663 VanDerWaalsContact O-CZ2 3.28Å; L628-W663 WeakPolarHBondContact O-CZ2 3.21Å |
| 629 | T | 72.8 | Confident | 72.7 | Confident | 64.6667 Ų | 64.6667 | 44.1 Ų | 44.1 | 40% | 0.397 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -102.5 | -20 | -174 | 56.8 | 0 | 0 | 0 | 0 | 116 | S625 R626 | S625-T629 VanDerWaalsContact O-CB 3.28Å; S625-T629 WeakPolarHBondContact O-CB 3.43Å; S625-T629 VanDerWaalsContact O-CG2 3.24Å; S625-T629 WeakPolarHBondContact O-CG2 3.33Å; S625-T629 PolarHBondContact O-N 3.19Å; S625-T629 VanDerWaalsContact O-N 3.09Å; S625-T629 PolarHBondContact O-OG1 3.11Å; R626-T629 WeakPolarHBondContact CA-OG1 3.22Å; R626-T629 PolarHBondContact O-N 3.26Å; R626-T629 VanDerWaalsContact O-N 3.13Å; R626-T629 PolarHBondContact O-OG1 2.94Å |
| 630 | R | 78.5 | Confident | 74.4 | Confident | 139 Ų | 139 | 42.5 Ų | 42.5 | 53% | 0.525 | 23% | 0.23 | S | C | . | . | trans | -129.5 | 117.5 | -171.2 | -66.2 | -173.9 | 177.2 | -166.8 | -2.3 | 112.4 | R626 E632 C633 V634 | R626-R630 WeakPolarHBondContact O-CA 3.26Å; R626-R630 WeakPolarHBondContact O-CB 3.35Å; R626-R630 PolarHBondContact O-N 3.3Å; R630-E632 VanDerWaalsContact C-N 3.31Å; R630-E632 WeakPolarHBondContact CB-OE2 3.15Å; R630-E632 PolarHBondContact O-N 3.29Å; R630-C633 HydrophobicContact CB-CB 4.21Å; R630-C633 WeakPolarHBondContact O-CB 3.42Å; R630-C633 PolarHBondContact O-N 3.1Å; R630-C633 VanDerWaalsContact O-N 3.13Å; R630-V634 PolarHBondContact O-N 3.18Å | ||
| 631 | R | 83.7 | Confident | 76.2 | Confident | 62 Ų | 62 | 38.8 Ų | 38.8 | 23% | 0.234 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -57.1 | -39 | 179.8 | 179.6 | 164.7 | -101.3 | 164 | 0.9 | 112.1 | C633 V634 I635 W663 F669 E672 | R631-C633 VanDerWaalsContact C-N 3.33Å; R631-C633 PolarHBondContact O-N 2.89Å; R631-V634 WeakPolarHBondContact O-CB 3.37Å; R631-V634 PolarHBondContact O-N 2.99Å; R631-V634 VanDerWaalsContact O-N 3.11Å; R631-I635 HydrophobicContact CG-CD1 4Å; R631-I635 HydrophobicContact CG-CG1 4.48Å; R631-I635 WeakPolarHBondContact O-CG1 3.36Å; R631-I635 PolarHBondContact O-N 3.17Å; R631-W663 HydrophobicContact CB-CH2 4Å; R631-W663 HydrophobicContact CB-CZ3 4.04Å; R631-F669 HydrophobicContact CB-CE2 4.41Å; R631-F669 HydrophobicContact CG-CE2 3.76Å; R631-F669 HydrophobicContact CG-CZ 3.75Å; R631-F669 PolarHBondContact NH2-O 3.22Å; R631-E672 IonicContact CZ-OE2 3.46Å; R631-E672 VanDerWaalsContact CZ-OE2 3.26Å; R631-E672 IonicContact NH1-OE2 3.21Å; R631-E672 PolarHBondContact NH1-OE2 2.91Å; R631-E672 VanDerWaalsContact NH1-OE2 3.1Å; R631-E672 IonicContact NH2-OE2 2.98Å; R631-E672 PolarHBondContact NH2-OE2 3.22Å |
| 632 | E | 82.9 | Confident | 77.9 | Confident | 100 Ų | 100 | 37.5 Ų | 37.5 | 47% | 0.467 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -61.6 | -38.5 | 178.5 | -58.4 | 104.7 | -168.5 | 0 | 0 | 112.4 | R630 V634 I635 S636 Y682 | R630-E632 VanDerWaalsContact C-N 3.31Å; R630-E632 WeakPolarHBondContact CB-OE2 3.15Å; R630-E632 PolarHBondContact O-N 3.29Å; E632-V634 VanDerWaalsContact C-N 3.32Å; E632-V634 PolarHBondContact O-N 3.28Å; E632-I635 PolarHBondContact O-N 2.84Å; E632-S636 VanDerWaalsContact O-CB 3.31Å; E632-S636 WeakPolarHBondContact O-CB 3.31Å; E632-S636 PolarHBondContact O-N 3.25Å; E632-Y682 WeakPolarHBondContact CB-OH 3.38Å; E632-Y682 PolarHBondContact O-OH 3.42Å |
| 633 | C | 81.7 | Confident | 79.3 | Confident | 16.3333 Ų | 16.3333 | 35.2 Ų | 35.2 | 11% | 0.11 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -69.2 | -34.5 | 178.3 | -64.3 | 0 | 0 | 0 | 0 | 111.5 | R626 L627 R630 R631 F637 | R626-C633 HydrophobicContact CB-CB 4.35Å; L627-C633 HydrophobicContact CD2-CB 4.4Å; L627-C633 WeakPolarHBondContact CD2-O 3.33Å; R630-C633 HydrophobicContact CB-CB 4.21Å; R630-C633 WeakPolarHBondContact O-CB 3.42Å; R630-C633 PolarHBondContact O-N 3.1Å; R630-C633 VanDerWaalsContact O-N 3.13Å; R631-C633 VanDerWaalsContact C-N 3.33Å; R631-C633 PolarHBondContact O-N 2.89Å; C633-F637 WeakPolarHBondContact O-CB 3.37Å; C633-F637 PolarHBondContact O-N 3.23Å |
| 634 | V | 87.3 | Confident | 80.5 | Confident | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -70.1 | -43.8 | 175.6 | -176.5 | 0 | 0 | 0 | 0 | 111.3 | L627 R630 R631 E632 S636 F637 L638 W653 F659 W663 F669 | L627-V634 HydrophobicContact CD2-CG2 4.42Å; L627-V634 WeakPolarHBondContact O-CG2 3.38Å; R630-V634 PolarHBondContact O-N 3.18Å; R631-V634 WeakPolarHBondContact O-CB 3.37Å; R631-V634 PolarHBondContact O-N 2.99Å; R631-V634 VanDerWaalsContact O-N 3.11Å; E632-V634 VanDerWaalsContact C-N 3.32Å; E632-V634 PolarHBondContact O-N 3.28Å; V634-S636 VanDerWaalsContact C-N 3.32Å; V634-S636 PolarHBondContact O-N 3.38Å; V634-F637 WeakPolarHBondContact O-CB 3.37Å; V634-F637 PolarHBondContact O-N 2.91Å; V634-F637 VanDerWaalsContact O-N 3.16Å; V634-L638 HydrophobicContact CG1-CD1 4.22Å; V634-L638 HydrophobicContact CG1-CG 4.48Å; V634-L638 WeakPolarHBondContact O-CG 3.43Å; V634-L638 PolarHBondContact O-N 3.15Å; V634-W653 HydrophobicContact CG1-CH2 3.6Å; V634-W653 HydrophobicContact CG1-CZ3 3.53Å; V634-F659 HydrophobicContact CG1-CD1 4.1Å; V634-F659 HydrophobicContact CG1-CE1 4.09Å; V634-F659 HydrophobicContact CG2-CD1 4.35Å; V634-F659 HydrophobicContact CG2-CE1 4.1Å; V634-W663 HydrophobicContact CG2-CZ2 4.18Å; V634-F669 HydrophobicContact CB-CE1 4.26Å; V634-F669 HydrophobicContact CB-CE2 4.45Å; V634-F669 HydrophobicContact CB-CZ 3.69Å; V634-F669 HydrophobicContact CG1-CE1 3.79Å; V634-F669 HydrophobicContact CG1-CE2 4.33Å; V634-F669 HydrophobicContact CG1-CZ 3.61Å |
| 635 | I | 87.1 | Confident | 81.6 | Confident | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -64.5 | -40 | 176.1 | -57.7 | 163.9 | 0 | 0 | 0 | 110.3 | R631 E632 F637 L638 S639 F669 A673 Q677 V678 Y682 | R631-I635 HydrophobicContact CG-CD1 4Å; R631-I635 HydrophobicContact CG-CG1 4.48Å; R631-I635 WeakPolarHBondContact O-CG1 3.36Å; R631-I635 PolarHBondContact O-N 3.17Å; E632-I635 PolarHBondContact O-N 2.84Å; I635-F637 VanDerWaalsContact C-N 3.32Å; I635-F637 PolarHBondContact O-N 2.94Å; I635-L638 PolarHBondContact O-N 3.08Å; I635-S639 WeakPolarHBondContact O-CB 3.39Å; I635-S639 PolarHBondContact O-N 3.21Å; I635-F669 HydrophobicContact CD1-CZ 4.47Å; I635-F669 HydrophobicContact CG1-CE1 3.72Å; I635-F669 HydrophobicContact CG1-CZ 3.88Å; I635-A673 HydrophobicContact CD1-CB 3.63Å; I635-A673 HydrophobicContact CG1-CB 4.41Å; I635-Q677 VanDerWaalsContact CD1-CD 3.49Å; I635-Q677 HydrophobicContact CD1-CG 3.89Å; I635-V678 HydrophobicContact CG2-CG2 4.49Å; I635-Y682 HydrophobicContact CB-CD2 4.2Å; I635-Y682 HydrophobicContact CB-CE2 4.24Å; I635-Y682 HydrophobicContact CB-CG 4.44Å; I635-Y682 HydrophobicContact CG2-CD1 4.16Å; I635-Y682 HydrophobicContact CG2-CD2 3.42Å; I635-Y682 VanDerWaalsContact CG2-CD2 3.42Å; I635-Y682 HydrophobicContact CG2-CE1 4.4Å; I635-Y682 HydrophobicContact CG2-CE2 3.96Å; I635-Y682 HydrophobicContact CG2-CG 3.54Å |
| 636 | S | 83.3 | Confident | 82.6 | Confident | 19 Ų | 19 | 34 Ų | 34 | 13% | 0.133 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -59.9 | -40 | 173 | -166.2 | 0 | 0 | 0 | 0 | 112.6 | N603 E632 V634 S639 A640 | N603-S636 WeakPolarHBondContact CB-OG 3.48Å; N603-S636 PolarHBondContact O-OG 2.91Å; E632-S636 VanDerWaalsContact O-CB 3.31Å; E632-S636 WeakPolarHBondContact O-CB 3.31Å; E632-S636 PolarHBondContact O-N 3.25Å; V634-S636 VanDerWaalsContact C-N 3.32Å; V634-S636 PolarHBondContact O-N 3.38Å; S636-S639 PolarHBondContact O-N 2.88Å; S636-S639 PolarHBondContact O-OG 3.3Å; S636-A640 PolarHBondContact O-N 3.43Å |
| 637 | F | 84.7 | Confident | 83.5 | Confident | 14.6667 Ų | 14.6667 | 31.5 Ų | 31.5 | 6% | 0.064 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -66.5 | -47.1 | 175.1 | 170.4 | -105.8 | 0 | 0 | 0 | 111.9 | V599 L605 I610 M614 L627 C633 V634 I635 S639 A640 W650 F659 | V599-F637 HydrophobicContact CG1-CD2 4.07Å; V599-F637 HydrophobicContact CG1-CE2 4.25Å; V599-F637 HydrophobicContact CG2-CE2 4.15Å; L605-F637 HydrophobicContact CD1-CE2 3.56Å; L605-F637 HydrophobicContact CD1-CZ 3.96Å; I610-F637 HydrophobicContact CD1-CE2 4.4Å; M614-F637 HydrophobicContact CE-CB 4.07Å; M614-F637 HydrophobicContact CE-CD2 4.48Å; L627-F637 HydrophobicContact CD2-CB 3.71Å; L627-F637 HydrophobicContact CD2-CD1 4.45Å; L627-F637 HydrophobicContact CD2-CD2 4.32Å; L627-F637 HydrophobicContact CD2-CG 4.06Å; C633-F637 WeakPolarHBondContact O-CB 3.37Å; C633-F637 PolarHBondContact O-N 3.23Å; V634-F637 WeakPolarHBondContact O-CB 3.37Å; V634-F637 PolarHBondContact O-N 2.91Å; V634-F637 VanDerWaalsContact O-N 3.16Å; I635-F637 VanDerWaalsContact C-N 3.32Å; I635-F637 PolarHBondContact O-N 2.94Å; F637-S639 VanDerWaalsContact C-N 3.29Å; F637-S639 PolarHBondContact O-N 3.03Å; F637-A640 WeakPolarHBondContact O-CB 3.45Å; F637-A640 PolarHBondContact O-N 3.02Å; F637-A640 VanDerWaalsContact O-N 3.13Å; F637-W650 HydrophobicContact CD1-CZ3 4.35Å; F637-W650 HydrophobicContact CD2-CH2 4.27Å; F637-W650 HydrophobicContact CD2-CZ3 4.28Å; F637-W650 AromaticContact CE1-CZ3 3.96Å; F637-W650 HydrophobicContact CE1-CZ3 4.01Å; F637-W650 AromaticContact CE2-CH2 3.83Å; F637-W650 HydrophobicContact CE2-CH2 3.95Å; F637-W650 AromaticContact CE2-CZ3 3.89Å; F637-W650 HydrophobicContact CE2-CZ3 4.03Å; F637-W650 HydrophobicContact CG-CZ3 4.44Å; F637-W650 HydrophobicContact CZ-CE3 4.44Å; F637-W650 HydrophobicContact CZ-CH2 4.2Å; F637-W650 AromaticContact CZ-CZ3 3.83Å; F637-W650 HydrophobicContact CZ-CZ3 3.83Å; F637-W650 VanDerWaalsContact O-CH2 3.3Å; F637-W650 WeakPolarHBondContact O-CH2 3.46Å; F637-W650 VanDerWaalsContact O-CZ3 3.31Å; F637-W650 WeakPolarHBondContact O-CZ3 3.28Å; F637-F659 HydrophobicContact CD1-CE2 4.18Å; F637-F659 AromaticContact CD1-CZ 3.77Å; F637-F659 HydrophobicContact CD1-CZ 3.77Å; F637-F659 AromaticContact CE1-CE2 3.6Å; F637-F659 HydrophobicContact CE1-CE2 3.6Å; F637-F659 VanDerWaalsContact CE1-CE2 3.45Å; F637-F659 AromaticContact CE1-CZ 3.62Å; F637-F659 HydrophobicContact CE1-CZ 3.62Å; F637-F659 HydrophobicContact CZ-CE2 4.33Å; F637-F659 HydrophobicContact CZ-CZ 4.3Å |
| 638 | L | 89.2 | Confident | 84.1 | Confident | 0.666667 Ų | 0.666667 | 32.2 Ų | 32.2 | 0% | 0.003 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -61.7 | -34.9 | 175.8 | -68.1 | 170.1 | 0 | 0 | 0 | 112.5 | V634 I635 A640 C641 L647 W653 L666 F669 L670 L684 | V634-L638 HydrophobicContact CG1-CD1 4.22Å; V634-L638 HydrophobicContact CG1-CG 4.48Å; V634-L638 WeakPolarHBondContact O-CG 3.43Å; V634-L638 PolarHBondContact O-N 3.15Å; I635-L638 PolarHBondContact O-N 3.08Å; L638-A640 PolarHBondContact O-N 2.89Å; L638-C641 VanDerWaalsContact O-CB 3.22Å; L638-C641 WeakPolarHBondContact O-CB 3.33Å; L638-C641 PolarHBondContact O-N 3.29Å; L638-C641 VanDerWaalsContact O-N 3.12Å; L638-L647 HydrophobicContact CB-CD2 4.45Å; L638-L647 HydrophobicContact CD2-CD2 4.29Å; L638-W653 HydrophobicContact CD1-CH2 4.34Å; L638-W653 HydrophobicContact CD1-CZ3 3.88Å; L638-W653 HydrophobicContact CD2-CE3 4.23Å; L638-W653 HydrophobicContact CD2-CZ3 4.09Å; L638-W653 HydrophobicContact CG-CZ3 4.28Å; L638-L666 HydrophobicContact CD1-CD1 3.68Å; L638-L666 HydrophobicContact CD2-CD1 4.23Å; L638-L666 HydrophobicContact CD2-CD2 4.37Å; L638-F669 HydrophobicContact CD1-CD1 4.17Å; L638-F669 HydrophobicContact CD1-CE1 3.93Å; L638-L670 HydrophobicContact CD1-CD2 4.16Å; L638-L684 HydrophobicContact CB-CD2 3.9Å |
| 639 | S | 86.6 | Confident | 84.3 | Confident | 22.6667 Ų | 22.6667 | 33.7 Ų | 33.7 | 16% | 0.159 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -66.1 | -23.9 | 178.3 | 76.6 | 0 | 0 | 0 | 0 | 113.5 | I635 S636 F637 C641 Y682 R705 | I635-S639 WeakPolarHBondContact O-CB 3.39Å; I635-S639 PolarHBondContact O-N 3.21Å; S636-S639 PolarHBondContact O-N 2.88Å; S636-S639 PolarHBondContact O-OG 3.3Å; F637-S639 VanDerWaalsContact C-N 3.29Å; F637-S639 PolarHBondContact O-N 3.03Å; S639-C641 VanDerWaalsContact C-N 3.3Å; S639-C641 PolarHBondContact O-N 3.01Å; S639-Y682 WeakPolarHBondContact CB-O 3.39Å; S639-R705 PolarHBondContact O-NH2 3.36Å |
| 640 | A | 84.3 | Confident | 84.8 | Confident | 36 Ų | 36 | 31.6 Ų | 31.6 | 30% | 0.298 | 17% | 0.168 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.6 | -8.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | L605 S636 F637 L638 W650 | L605-A640 HydrophobicContact CD1-CB 3.97Å; S636-A640 PolarHBondContact O-N 3.43Å; F637-A640 WeakPolarHBondContact O-CB 3.45Å; F637-A640 PolarHBondContact O-N 3.02Å; F637-A640 VanDerWaalsContact O-N 3.13Å; L638-A640 PolarHBondContact O-N 2.89Å; A640-W650 HydrophobicContact CB-CH2 4.36Å |
| 641 | C | 84.9 | Confident | 84.9 | Confident | 1.33333 Ų | 1.33333 | 25.1 Ų | 25.1 | 1% | 0.009 | 14% | 0.144 | C | C | . | . | S | Bend | trans | -57.1 | 130.5 | 172.2 | 179.3 | 0 | 0 | 0 | 0 | 110.3 | L638 S639 L647 W650 R705 | L638-C641 VanDerWaalsContact O-CB 3.22Å; L638-C641 WeakPolarHBondContact O-CB 3.33Å; L638-C641 PolarHBondContact O-N 3.29Å; L638-C641 VanDerWaalsContact O-N 3.12Å; S639-C641 VanDerWaalsContact C-N 3.3Å; S639-C641 PolarHBondContact O-N 3.01Å; C641-L647 HydrophobicContact CB-CD2 3.54Å; C641-W650 HydrophobicContact CB-CD2 3.77Å; C641-W650 HydrophobicContact CB-CE3 3.51Å; C641-W650 VanDerWaalsContact CB-CE3 3.46Å; C641-W650 HydrophobicContact CB-CG 4.39Å; C641-W650 HydrophobicContact CB-CH2 4.28Å; C641-W650 HydrophobicContact CB-CZ2 4.39Å; C641-W650 HydrophobicContact CB-CZ3 3.79Å; C641-R705 HydrophobicContact CB-CB 4.39Å; C641-R705 HydrophobicContact CB-CG 4.12Å; C641-R705 WeakPolarHBondContact O-CD 3.35Å; C641-R705 WeakPolarHBondContact O-CG 3.28Å; C641-R705 PolarHBondContact O-NE 2.82Å; C641-R705 VanDerWaalsContact O-NE 3.14Å |
| 642 | P | 85.2 | Confident | 84.6 | Confident | 33 Ų | 33 | 24.5 Ų | 24.5 | 21% | 0.214 | 14% | 0.144 | C | C | . | . | P | Polyproline II helix | trans | -62.4 | 149.7 | 179.6 | -23.7 | 33.5 | 0 | 0 | 0 | 113.6 | I604 L644 M645 L729 | I604-P642 HydrophobicContact CG2-CG 3.79Å; P642-L644 PolarHBondContact O-N 2.83Å; P642-M645 HydrophobicContact CB-CG 4.12Å; P642-M645 HydrophobicContact CB-SD 3.77Å; P642-M645 HydrophobicContact CG-SD 3.68Å; P642-M645 VanDerWaalsContact CG-SD 3.58Å; P642-M645 WeakPolarHBondContact O-CB 3.42Å; P642-M645 PolarHBondContact O-N 3.28Å; P642-M645 VanDerWaalsContact O-N 3.14Å; P642-L729 HydrophobicContact CB-CD1 4.11Å; P642-L729 HydrophobicContact CB-CD2 4.01Å; P642-L729 HydrophobicContact CG-CD2 4.43Å |
| 643 | S | 88.9 | Confident | 84.6 | Confident | 9.66667 Ų | 9.66667 | 19.7 Ų | 19.7 | 7% | 0.068 | 12% | 0.121 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -50.7 | 137.2 | 176.4 | -68.2 | 0 | 0 | 0 | 0 | 113.5 | M645 R705 R732 L733 D736 | S643-M645 PolarHBondContact O-N 3.26Å; S643-R705 PolarHBondContact OG-NH1 3.45Å; S643-R732 WeakPolarHBondContact O-CB 3.35Å; S643-R732 PolarHBondContact O-NE 3.26Å; S643-R732 PolarHBondContact O-NH1 3.02Å; S643-R732 PolarHBondContact O-NH2 2.89Å; S643-L733 VanDerWaalsContact OG-CD1 3.25Å; S643-L733 WeakPolarHBondContact OG-CD1 3.32Å; S643-D736 VanDerWaalsContact CB-OD2 3.29Å; S643-D736 WeakPolarHBondContact CB-OD2 3.32Å; S643-D736 PolarHBondContact OG-OD2 3.06Å |
| 644 | L | 87.9 | Confident | 84.5 | Confident | 10.3333 Ų | 10.3333 | 23.1 Ų | 23.1 | 5% | 0.054 | 13% | 0.132 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 54.3 | 27.1 | -177.1 | -55.1 | -179.3 | 0 | 0 | 0 | 114.4 | P642 L704 R705 L706 R732 D736 I739 L788 | P642-L644 PolarHBondContact O-N 2.83Å; L644-L704 HydrophobicContact CD2-CD1 4.49Å; L644-R705 WeakPolarHBondContact CA-O 3.43Å; L644-R705 PolarHBondContact N-O 3.17Å; L644-L706 HydrophobicContact CD2-CD2 3.54Å; L644-L706 VanDerWaalsContact CD2-CD2 3.45Å; L644-R732 HydrophobicContact CB-CB 4.26Å; L644-R732 HydrophobicContact CB-CG 4.16Å; L644-R732 HydrophobicContact CD1-CB 4.39Å; L644-R732 WeakPolarHBondContact CD1-O 3.42Å; L644-R732 PolarHBondContact O-NH2 3.5Å; L644-D736 HydrophobicContact CD2-CB 4.42Å; L644-D736 HydrophobicContact CG-CB 4.21Å; L644-I739 HydrophobicContact CD1-CD1 4.09Å; L644-I739 HydrophobicContact CD2-CD1 3.8Å; L644-L788 HydrophobicContact CD1-CD1 4.41Å; L644-L788 HydrophobicContact CD1-CG 4.36Å |
| 645 | M | 85.6 | Confident | 83.6 | Confident | 50.3333 Ų | 50.3333 | 26.2 Ų | 26.2 | 25% | 0.248 | 15% | 0.147 | C | C | . | . | S | Bend | trans | -94.6 | 148.5 | 162.2 | -69.1 | -167.5 | 67.4 | 0 | 0 | 110 | I604 P642 S643 L647 W650 L704 R705 R732 | I604-M645 HydrophobicContact CD1-SD 4.36Å; P642-M645 HydrophobicContact CB-CG 4.12Å; P642-M645 HydrophobicContact CB-SD 3.77Å; P642-M645 HydrophobicContact CG-SD 3.68Å; P642-M645 VanDerWaalsContact CG-SD 3.58Å; P642-M645 WeakPolarHBondContact O-CB 3.42Å; P642-M645 PolarHBondContact O-N 3.28Å; P642-M645 VanDerWaalsContact O-N 3.14Å; S643-M645 PolarHBondContact O-N 3.26Å; M645-L647 PolarHBondContact O-N 2.98Å; M645-W650 HydrophobicContact CE-CB 4.37Å; M645-W650 HydrophobicContact CE-CG 4.4Å; M645-L704 WeakPolarHBondContact O-CA 3.39Å; M645-R705 PolarHBondContact O-N 3Å; M645-R732 VanDerWaalsContact CG-NH1 3.27Å |
| 646 | D | 85 | Confident | 82.2 | Confident | 31.6667 Ų | 31.6667 | 31.7 Ų | 31.7 | 17% | 0.169 | 18% | 0.176 | C | C | . | . | B | Isolated β-bridge | trans | -69.7 | 117.7 | 170.8 | -177.4 | 6.2 | 0 | 0 | 0 | 109.5 | E648 A649 W650 Q702 L703 L704 | D646-E648 VanDerWaalsContact C-N 3.28Å; D646-E648 PolarHBondContact O-N 3.07Å; D646-E648 PolarHBondContact OD1-N 3.12Å; D646-E648 VanDerWaalsContact OD1-N 3.12Å; D646-A649 HydrophobicContact CB-CB 4.12Å; D646-A649 PolarHBondContact O-N 3.28Å; D646-W650 VanDerWaalsContact O-CB 3.24Å; D646-W650 WeakPolarHBondContact O-CB 3.45Å; D646-W650 PolarHBondContact O-N 2.88Å; D646-Q702 HydrophobicContact CB-CB 4.09Å; D646-Q702 HydrophobicContact CB-CG 4.29Å; D646-Q702 WeakPolarHBondContact OD2-CA 3.43Å; D646-Q702 WeakPolarHBondContact OD2-CB 3.21Å; D646-L703 PolarHBondContact OD1-N 3.37Å; D646-L704 HydrophobicContact CB-CD2 4.41Å |
| 647 | L | 87.2 | Confident | 81 | Confident | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -61.6 | -36.9 | -179.6 | -75.7 | 161.5 | 0 | 0 | 0 | 111.6 | L638 C641 M645 S651 L666 L684 A686 L703 R705 | L638-L647 HydrophobicContact CB-CD2 4.45Å; L638-L647 HydrophobicContact CD2-CD2 4.29Å; C641-L647 HydrophobicContact CB-CD2 3.54Å; M645-L647 PolarHBondContact O-N 2.98Å; L647-S651 VanDerWaalsContact O-CB 3.26Å; L647-S651 WeakPolarHBondContact O-CB 3.42Å; L647-S651 PolarHBondContact O-N 3.05Å; L647-S651 PolarHBondContact O-OG 3.17Å; L647-L666 HydrophobicContact CB-CD2 3.9Å; L647-L684 HydrophobicContact CD1-CD1 4.44Å; L647-L684 HydrophobicContact CD2-CD1 4.44Å; L647-A686 HydrophobicContact CD1-CB 3.6Å; L647-L703 HydrophobicContact CB-CD2 4.27Å; L647-L703 HydrophobicContact CB-CG 4.46Å; L647-L703 WeakPolarHBondContact CB-O 3.37Å; L647-L703 HydrophobicContact CD1-CD2 4.28Å; L647-L703 HydrophobicContact CD1-CG 4.23Å; L647-L703 WeakPolarHBondContact CG-O 3.35Å; L647-L703 PolarHBondContact N-O 3.19Å; L647-R705 HydrophobicContact CD1-CB 4.3Å; L647-R705 HydrophobicContact CD2-CB 4.03Å; L647-R705 HydrophobicContact CD2-CG 4.18Å; L647-R705 HydrophobicContact CG-CB 3.96Å |
| 648 | E | 86.6 | Confident | 80.3 | Confident | 30 Ų | 30 | 36.5 Ų | 36.5 | 14% | 0.14 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -67.8 | -45.9 | -177.8 | -67.7 | -177.1 | 141.8 | 0 | 0 | 110.9 | D646 S651 Q652 W653 Y654 L666 R688 L703 | D646-E648 VanDerWaalsContact C-N 3.28Å; D646-E648 PolarHBondContact O-N 3.07Å; D646-E648 PolarHBondContact OD1-N 3.12Å; D646-E648 VanDerWaalsContact OD1-N 3.12Å; E648-S651 PolarHBondContact O-OG 3.25Å; E648-Q652 WeakPolarHBondContact O-CA 3.47Å; E648-Q652 PolarHBondContact O-N 3.27Å; E648-Q652 VanDerWaalsContact O-N 3.12Å; E648-W653 PolarHBondContact O-N 3.35Å; E648-W653 VanDerWaalsContact O-N 3.12Å; E648-Y654 HydrophobicContact CB-CD2 4.49Å; E648-Y654 HydrophobicContact CB-CE2 4.16Å; E648-Y654 HydrophobicContact CG-CE2 3.94Å; E648-Y654 VanDerWaalsContact OE1-CE2 3.23Å; E648-Y654 WeakPolarHBondContact OE1-CE2 3.2Å; E648-Y654 PolarHBondContact OE1-OH 3.07Å; E648-L666 HydrophobicContact CG-CB 4.41Å; E648-L666 HydrophobicContact CG-CD2 3.73Å; E648-R688 IonicContact OE1-CZ 3.31Å; E648-R688 IonicContact OE1-NH1 3.35Å; E648-R688 PolarHBondContact OE1-NH1 2.94Å; E648-R688 IonicContact OE1-NH2 3.51Å; E648-R688 PolarHBondContact OE1-NH2 3.2Å; E648-R688 IonicContact OE2-CZ 3.42Å; E648-R688 IonicContact OE2-NH1 3.66Å; E648-R688 PolarHBondContact OE2-NH1 3.29Å; E648-R688 IonicContact OE2-NH2 3.38Å; E648-R688 PolarHBondContact OE2-NH2 3.05Å; E648-R688 VanDerWaalsContact OE2-NH2 3.16Å; E648-L703 HydrophobicContact CG-CB 4.18Å; E648-L703 HydrophobicContact CG-CD2 4.3Å |
| 649 | A | 76.7 | Confident | 79.9 | Confident | 66.6667 Ų | 66.6667 | 36.9 Ų | 36.9 | 55% | 0.551 | 21% | 0.209 | S | C | * | . | H | α-helix | trans | -70.4 | -41 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | D646 Q652 | D646-A649 HydrophobicContact CB-CB 4.12Å; D646-A649 PolarHBondContact O-N 3.28Å; A649-Q652 WeakPolarHBondContact O-CG 3.47Å; A649-Q652 PolarHBondContact O-N 3.23Å |
| 650 | W | 82.6 | Confident | 79.7 | Confident | 19.3333 Ų | 19.3333 | 39.7 Ų | 39.7 | 7% | 0.073 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -71.1 | -39.8 | -178.8 | -179.4 | 87.2 | 0 | 0 | 0 | 112.8 | H596 L605 F637 A640 C641 M645 D646 Q652 | H596-W650 AromaticContact CE1-CD1 3.66Å; H596-W650 AromaticContact CE1-NE1 3.88Å; H596-W650 AromaticContact ND1-CD1 3.96Å; H596-W650 AromaticContact ND1-NE1 3.73Å; H596-W650 PolarHBondContact NE2-O 3.41Å; H596-W650 VanDerWaalsContact NE2-O 3.13Å; L605-W650 HydrophobicContact CD1-CH2 4.14Å; L605-W650 HydrophobicContact CD1-CZ2 3.87Å; L605-W650 HydrophobicContact CD2-CZ2 3.78Å; L605-W650 HydrophobicContact CG-CZ2 4.3Å; F637-W650 HydrophobicContact CD1-CZ3 4.35Å; F637-W650 HydrophobicContact CD2-CH2 4.27Å; F637-W650 HydrophobicContact CD2-CZ3 4.28Å; F637-W650 AromaticContact CE1-CZ3 3.96Å; F637-W650 HydrophobicContact CE1-CZ3 4.01Å; F637-W650 AromaticContact CE2-CH2 3.83Å; F637-W650 HydrophobicContact CE2-CH2 3.95Å; F637-W650 AromaticContact CE2-CZ3 3.89Å; F637-W650 HydrophobicContact CE2-CZ3 4.03Å; F637-W650 HydrophobicContact CG-CZ3 4.44Å; F637-W650 HydrophobicContact CZ-CE3 4.44Å; F637-W650 HydrophobicContact CZ-CH2 4.2Å; F637-W650 AromaticContact CZ-CZ3 3.83Å; F637-W650 HydrophobicContact CZ-CZ3 3.83Å; F637-W650 VanDerWaalsContact O-CH2 3.3Å; F637-W650 WeakPolarHBondContact O-CH2 3.46Å; F637-W650 VanDerWaalsContact O-CZ3 3.31Å; F637-W650 WeakPolarHBondContact O-CZ3 3.28Å; A640-W650 HydrophobicContact CB-CH2 4.36Å; C641-W650 HydrophobicContact CB-CD2 3.77Å; C641-W650 HydrophobicContact CB-CE3 3.51Å; C641-W650 VanDerWaalsContact CB-CE3 3.46Å; C641-W650 HydrophobicContact CB-CG 4.39Å; C641-W650 HydrophobicContact CB-CH2 4.28Å; C641-W650 HydrophobicContact CB-CZ2 4.39Å; C641-W650 HydrophobicContact CB-CZ3 3.79Å; M645-W650 HydrophobicContact CE-CB 4.37Å; M645-W650 HydrophobicContact CE-CG 4.4Å; D646-W650 VanDerWaalsContact O-CB 3.24Å; D646-W650 WeakPolarHBondContact O-CB 3.45Å; D646-W650 PolarHBondContact O-N 2.88Å; W650-Q652 VanDerWaalsContact C-N 3.3Å; W650-Q652 PolarHBondContact O-N 3.14Å |
| 651 | S | 81.8 | Confident | 79.3 | Confident | 4.33333 Ų | 4.33333 | 42.6 Ų | 42.6 | 3% | 0.03 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -80.6 | -9.3 | 177.3 | 64.6 | 0 | 0 | 0 | 0 | 113.7 | L647 E648 W653 F659 | L647-S651 VanDerWaalsContact O-CB 3.26Å; L647-S651 WeakPolarHBondContact O-CB 3.42Å; L647-S651 PolarHBondContact O-N 3.05Å; L647-S651 PolarHBondContact O-OG 3.17Å; E648-S651 PolarHBondContact O-OG 3.25Å; S651-W653 PolarHBondContact O-N 3.19Å; S651-W653 WeakPolarHBondContact OG-CB 2.97Å; S651-W653 PolarHBondContact OG-N 3.2Å; S651-F659 WeakPolarHBondContact O-CD2 3.21Å; S651-F659 WeakPolarHBondContact O-CE2 3.14Å |
| 652 | Q | 76.6 | Confident | 79 | Confident | 48.6667 Ų | 48.6667 | 49.1 Ų | 49.1 | 23% | 0.227 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 51.6 | 41.8 | -171.9 | -61.7 | 173.8 | -21.2 | 0 | 0 | 111.4 | V594 P602 E648 A649 W650 Y654 Q655 | V594-Q652 VanDerWaalsContact N-NE2 3.18Å; V594-Q652 PolarHBondContact O-NE2 2.86Å; P602-Q652 VanDerWaalsContact CG-NE2 3.32Å; E648-Q652 WeakPolarHBondContact O-CA 3.47Å; E648-Q652 PolarHBondContact O-N 3.27Å; E648-Q652 VanDerWaalsContact O-N 3.12Å; A649-Q652 WeakPolarHBondContact O-CG 3.47Å; A649-Q652 PolarHBondContact O-N 3.23Å; W650-Q652 VanDerWaalsContact C-N 3.3Å; W650-Q652 PolarHBondContact O-N 3.14Å; Q652-Y654 VanDerWaalsContact C-N 3.34Å; Q652-Y654 PolarHBondContact O-N 3.26Å; Q652-Y654 VanDerWaalsContact O-N 3.08Å; Q652-Q655 HydrophobicContact CB-CB 4.29Å; Q652-Q655 VanDerWaalsContact O-CB 3.28Å; Q652-Q655 WeakPolarHBondContact O-CB 3.38Å; Q652-Q655 PolarHBondContact O-N 3.29Å |
| 653 | W | 83.7 | Confident | 78.9 | Confident | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.9 | -40.8 | -165.7 | -167 | -93.5 | 0 | 0 | 0 | 113.6 | V634 L638 E648 S651 Q655 F659 Y660 W663 G664 L666 F669 | V634-W653 HydrophobicContact CG1-CH2 3.6Å; V634-W653 HydrophobicContact CG1-CZ3 3.53Å; L638-W653 HydrophobicContact CD1-CH2 4.34Å; L638-W653 HydrophobicContact CD1-CZ3 3.88Å; L638-W653 HydrophobicContact CD2-CE3 4.23Å; L638-W653 HydrophobicContact CD2-CZ3 4.09Å; L638-W653 HydrophobicContact CG-CZ3 4.28Å; E648-W653 PolarHBondContact O-N 3.35Å; E648-W653 VanDerWaalsContact O-N 3.12Å; S651-W653 PolarHBondContact O-N 3.19Å; S651-W653 WeakPolarHBondContact OG-CB 2.97Å; S651-W653 PolarHBondContact OG-N 3.2Å; W653-Q655 VanDerWaalsContact C-N 3.34Å; W653-F659 HydrophobicContact CD2-CB 3.56Å; W653-F659 HydrophobicContact CD2-CG 4.29Å; W653-F659 HydrophobicContact CE3-CB 3.55Å; W653-F659 HydrophobicContact CE3-CD1 4.4Å; W653-F659 AromaticContact CE3-CD2 3.96Å; W653-F659 HydrophobicContact CE3-CD2 4Å; W653-F659 AromaticContact CE3-CG 3.76Å; W653-F659 HydrophobicContact CE3-CG 3.76Å; W653-F659 HydrophobicContact CG-CB 4.14Å; W653-F659 HydrophobicContact CH2-CB 4.13Å; W653-F659 HydrophobicContact CH2-CD1 4.45Å; W653-F659 HydrophobicContact CH2-CG 4.46Å; W653-F659 HydrophobicContact CZ2-CB 4.12Å; W653-F659 HydrophobicContact CZ3-CB 3.83Å; W653-F659 HydrophobicContact CZ3-CD1 4.08Å; W653-F659 HydrophobicContact CZ3-CD2 4.4Å; W653-F659 AromaticContact CZ3-CG 3.86Å; W653-F659 HydrophobicContact CZ3-CG 3.86Å; W653-Y660 VanDerWaalsContact O-CB 3.26Å; W653-Y660 WeakPolarHBondContact O-CB 3.22Å; W653-Y660 PolarHBondContact O-N 2.95Å; W653-W663 HydrophobicContact CH2-CB 4.29Å; W653-W663 HydrophobicContact CZ2-CB 3.85Å; W653-G664 PolarHBondContact NE1-O 3.01Å; W653-L666 HydrophobicContact CD2-CB 3.99Å; W653-L666 HydrophobicContact CD2-CD1 3.91Å; W653-L666 HydrophobicContact CD2-CD2 4.38Å; W653-L666 HydrophobicContact CD2-CG 4.33Å; W653-L666 HydrophobicContact CE3-CD1 3.8Å; W653-L666 HydrophobicContact CE3-CD2 4.41Å; W653-L666 HydrophobicContact CG-CB 3.98Å; W653-L666 HydrophobicContact CG-CD2 4.49Å; W653-L666 HydrophobicContact CH2-CD1 3.83Å; W653-L666 HydrophobicContact CZ2-CB 4.48Å; W653-L666 HydrophobicContact CZ2-CD1 3.95Å; W653-L666 HydrophobicContact CZ3-CD1 3.77Å; W653-F669 HydrophobicContact CH2-CB 4.21Å; W653-F669 AromaticContact CH2-CD1 3.63Å; W653-F669 HydrophobicContact CH2-CD1 3.63Å; W653-F669 HydrophobicContact CH2-CD2 4.16Å; W653-F669 AromaticContact CH2-CE1 4Å; W653-F669 HydrophobicContact CH2-CE1 4.01Å; W653-F669 HydrophobicContact CH2-CE2 4.45Å; W653-F669 AromaticContact CH2-CG 3.72Å; W653-F669 HydrophobicContact CH2-CG 3.72Å; W653-F669 HydrophobicContact CH2-CZ 4.42Å; W653-F669 HydrophobicContact CZ2-CB 3.82Å; W653-F669 HydrophobicContact CZ2-CD1 4.13Å; W653-F669 HydrophobicContact CZ2-CD2 4.29Å; W653-F669 AromaticContact CZ2-CG 3.81Å; W653-F669 HydrophobicContact CZ2-CG 3.81Å |
| 654 | Y | 79.8 | Confident | 78.7 | Confident | 86.3333 Ų | 86.3333 | 50.5 Ų | 50.5 | 34% | 0.339 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.7 | 17.1 | -177.5 | -55.9 | -81.2 | 0 | 0 | 0 | 113.8 | E648 Q652 Y660 L666 | E648-Y654 HydrophobicContact CB-CD2 4.49Å; E648-Y654 HydrophobicContact CB-CE2 4.16Å; E648-Y654 HydrophobicContact CG-CE2 3.94Å; E648-Y654 VanDerWaalsContact OE1-CE2 3.23Å; E648-Y654 WeakPolarHBondContact OE1-CE2 3.2Å; E648-Y654 PolarHBondContact OE1-OH 3.07Å; Q652-Y654 VanDerWaalsContact C-N 3.34Å; Q652-Y654 PolarHBondContact O-N 3.26Å; Q652-Y654 VanDerWaalsContact O-N 3.08Å; Y654-Y660 AromaticContact CD1-CD2 3.45Å; Y654-Y660 HydrophobicContact CD1-CD2 3.45Å; Y654-Y660 VanDerWaalsContact CD1-CD2 3.45Å; Y654-Y660 AromaticContact CD1-CE2 3.98Å; Y654-Y660 HydrophobicContact CD1-CE2 4.01Å; Y654-Y660 AromaticContact CD1-CG 3.79Å; Y654-Y660 HydrophobicContact CD1-CG 3.79Å; Y654-Y660 AromaticContact CE1-CD2 3.48Å; Y654-Y660 HydrophobicContact CE1-CD2 3.48Å; Y654-Y660 VanDerWaalsContact CE1-CD2 3.48Å; Y654-Y660 AromaticContact CE1-CE2 3.85Å; Y654-Y660 HydrophobicContact CE1-CE2 3.85Å; Y654-Y660 HydrophobicContact CE1-CG 4.28Å; Y654-L666 PolarHBondContact OH-N 3.22Å |
| 655 | Q | 67.7 | Low | 78.7 | Confident | 66.3333 Ų | 66.3333 | 51.4 Ų | 51.4 | 31% | 0.31 | 27% | 0.268 | S | S | . | . | S | Bend | trans | -71.8 | 132.7 | 168.7 | -173.9 | 141.1 | -13.3 | 0 | 0 | 109.6 | Q591 Q652 W653 L658 | Q591-Q655 VanDerWaalsContact OE1-NE2 3.08Å; Q591-Q655 VanDerWaalsContact OE1-OE1 3.08Å; Q652-Q655 HydrophobicContact CB-CB 4.29Å; Q652-Q655 VanDerWaalsContact O-CB 3.28Å; Q652-Q655 WeakPolarHBondContact O-CB 3.38Å; Q652-Q655 PolarHBondContact O-N 3.29Å; W653-Q655 VanDerWaalsContact C-N 3.34Å; Q655-L658 HydrophobicContact CB-CB 4.27Å; Q655-L658 HydrophobicContact CB-CD1 4.08Å; Q655-L658 HydrophobicContact CG-CD1 4.07Å; Q655-L658 WeakPolarHBondContact O-CB 3.27Å; Q655-L658 PolarHBondContact O-N 3.19Å |
| 656 | D | 58 | Low | 78.8 | Confident | 114.667 Ų | 114.667 | 49 Ų | 49 | 61% | 0.613 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.3 | 140.7 | -178.4 | -61.6 | -34.9 | 0 | 0 | 0 | 112 | L658 | D656-L658 VanDerWaalsContact C-N 3.29Å; D656-L658 PolarHBondContact O-N 3.2Å |
| 657 | C | 59 | Low | 78.8 | Confident | 96.3333 Ų | 96.3333 | 50.1 Ų | 50.1 | 65% | 0.651 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.4 | 15.6 | -179.6 | -59.2 | 0 | 0 | 0 | 0 | 116 | D661 | C657-D661 VanDerWaalsContact CA-OD2 3.25Å; C657-D661 WeakPolarHBondContact CA-OD2 3.26Å; C657-D661 PolarHBondContact N-OD2 3.23Å |
| 658 | L | 69.4 | Low | 78.7 | Confident | 39 Ų | 39 | 52.7 Ų | 52.7 | 20% | 0.204 | 28% | 0.28 | C | S | . | . | S | Bend | trans | -109.6 | -111.1 | -176.5 | -115.9 | 162.7 | 0 | 0 | 0 | 112.9 | L628 Q655 D656 | L628-L658 VanDerWaalsContact CD2-O 3.29Å; L628-L658 WeakPolarHBondContact CD2-O 3.34Å; Q655-L658 HydrophobicContact CB-CB 4.27Å; Q655-L658 HydrophobicContact CB-CD1 4.08Å; Q655-L658 HydrophobicContact CG-CD1 4.07Å; Q655-L658 WeakPolarHBondContact O-CB 3.27Å; Q655-L658 PolarHBondContact O-N 3.19Å; D656-L658 VanDerWaalsContact C-N 3.29Å; D656-L658 PolarHBondContact O-N 3.2Å |
| 659 | F | 81.4 | Confident | 78.9 | Confident | 7.66667 Ų | 7.66667 | 51.3 Ų | 51.3 | 3% | 0.034 | 27% | 0.273 | C | S | . | . | S | Bend | trans | -85.1 | -47.9 | -174.5 | -66.7 | -69 | 0 | 0 | 0 | 113.1 | L627 V634 F637 S651 W653 D661 R662 W663 | L627-F659 HydrophobicContact CB-CE1 4.17Å; L627-F659 HydrophobicContact CB-CZ 4.37Å; L627-F659 HydrophobicContact CD1-CZ 4.2Å; L627-F659 HydrophobicContact CD2-CE1 4.22Å; L627-F659 HydrophobicContact CD2-CZ 4.3Å; L627-F659 HydrophobicContact CG-CE1 4.48Å; V634-F659 HydrophobicContact CG1-CD1 4.1Å; V634-F659 HydrophobicContact CG1-CE1 4.09Å; V634-F659 HydrophobicContact CG2-CD1 4.35Å; V634-F659 HydrophobicContact CG2-CE1 4.1Å; F637-F659 HydrophobicContact CD1-CE2 4.18Å; F637-F659 AromaticContact CD1-CZ 3.77Å; F637-F659 HydrophobicContact CD1-CZ 3.77Å; F637-F659 AromaticContact CE1-CE2 3.6Å; F637-F659 HydrophobicContact CE1-CE2 3.6Å; F637-F659 VanDerWaalsContact CE1-CE2 3.45Å; F637-F659 AromaticContact CE1-CZ 3.62Å; F637-F659 HydrophobicContact CE1-CZ 3.62Å; F637-F659 HydrophobicContact CZ-CE2 4.33Å; F637-F659 HydrophobicContact CZ-CZ 4.3Å; S651-F659 WeakPolarHBondContact O-CD2 3.21Å; S651-F659 WeakPolarHBondContact O-CE2 3.14Å; W653-F659 HydrophobicContact CD2-CB 3.56Å; W653-F659 HydrophobicContact CD2-CG 4.29Å; W653-F659 HydrophobicContact CE3-CB 3.55Å; W653-F659 HydrophobicContact CE3-CD1 4.4Å; W653-F659 AromaticContact CE3-CD2 3.96Å; W653-F659 HydrophobicContact CE3-CD2 4Å; W653-F659 AromaticContact CE3-CG 3.76Å; W653-F659 HydrophobicContact CE3-CG 3.76Å; W653-F659 HydrophobicContact CG-CB 4.14Å; W653-F659 HydrophobicContact CH2-CB 4.13Å; W653-F659 HydrophobicContact CH2-CD1 4.45Å; W653-F659 HydrophobicContact CH2-CG 4.46Å; W653-F659 HydrophobicContact CZ2-CB 4.12Å; W653-F659 HydrophobicContact CZ3-CB 3.83Å; W653-F659 HydrophobicContact CZ3-CD1 4.08Å; W653-F659 HydrophobicContact CZ3-CD2 4.4Å; W653-F659 AromaticContact CZ3-CG 3.86Å; W653-F659 HydrophobicContact CZ3-CG 3.86Å; F659-D661 PolarHBondContact O-N 3.01Å; F659-R662 PolarHBondContact O-N 3.15Å; F659-R662 VanDerWaalsContact O-N 3.16Å; F659-W663 WeakPolarHBondContact O-CB 3.31Å; F659-W663 PolarHBondContact O-N 2.83Å |
| 660 | Y | 81.2 | Confident | 79.4 | Confident | 81.6667 Ų | 81.6667 | 49.2 Ų | 49.2 | 32% | 0.32 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -55.8 | -49.1 | -175.1 | 174.5 | -102.2 | 0 | 0 | 0 | 113.4 | W653 Y654 R662 W663 G664 | W653-Y660 VanDerWaalsContact O-CB 3.26Å; W653-Y660 WeakPolarHBondContact O-CB 3.22Å; W653-Y660 PolarHBondContact O-N 2.95Å; Y654-Y660 AromaticContact CD1-CD2 3.45Å; Y654-Y660 HydrophobicContact CD1-CD2 3.45Å; Y654-Y660 VanDerWaalsContact CD1-CD2 3.45Å; Y654-Y660 AromaticContact CD1-CE2 3.98Å; Y654-Y660 HydrophobicContact CD1-CE2 4.01Å; Y654-Y660 AromaticContact CD1-CG 3.79Å; Y654-Y660 HydrophobicContact CD1-CG 3.79Å; Y654-Y660 AromaticContact CE1-CD2 3.48Å; Y654-Y660 HydrophobicContact CE1-CD2 3.48Å; Y654-Y660 VanDerWaalsContact CE1-CD2 3.48Å; Y654-Y660 AromaticContact CE1-CE2 3.85Å; Y654-Y660 HydrophobicContact CE1-CE2 3.85Å; Y654-Y660 HydrophobicContact CE1-CG 4.28Å; Y660-R662 PolarHBondContact O-N 3.14Å; Y660-R662 VanDerWaalsContact O-N 3.14Å; Y660-W663 PolarHBondContact O-N 3.15Å; Y660-G664 WeakPolarHBondContact CA-O 3.44Å; Y660-G664 VanDerWaalsContact CD2-O 3.25Å; Y660-G664 WeakPolarHBondContact CD2-O 3.49Å; Y660-G664 VanDerWaalsContact O-CA 3.27Å; Y660-G664 WeakPolarHBondContact O-CA 3.1Å; Y660-G664 PolarHBondContact O-N 3.22Å |
| 661 | D | 75.2 | Confident | 79.6 | Confident | 98 Ų | 98 | 54.7 Ų | 54.7 | 52% | 0.524 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -61 | -21.1 | -178.8 | -67.8 | -21.2 | 0 | 0 | 0 | 113.7 | C657 F659 | C657-D661 VanDerWaalsContact CA-OD2 3.25Å; C657-D661 WeakPolarHBondContact CA-OD2 3.26Å; C657-D661 PolarHBondContact N-OD2 3.23Å; F659-D661 PolarHBondContact O-N 3.01Å |
| 662 | R | 78.7 | Confident | 79.7 | Confident | 137.333 Ų | 137.333 | 60.3 Ų | 60.3 | 52% | 0.518 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -107.3 | -29.8 | -177 | -172.4 | 127.3 | -177.8 | 177 | -2.3 | 114.2 | L628 F659 Y660 | L628-R662 HydrophobicContact CD2-CB 4.24Å; L628-R662 HydrophobicContact CD2-CG 4.38Å; L628-R662 WeakPolarHBondContact O-CD 3.34Å; L628-R662 WeakPolarHBondContact O-CG 3.37Å; L628-R662 PolarHBondContact O-NE 3.25Å; L628-R662 PolarHBondContact O-NH1 3.16Å; L628-R662 PolarHBondContact O-NH2 3.49Å; F659-R662 PolarHBondContact O-N 3.15Å; F659-R662 VanDerWaalsContact O-N 3.16Å; Y660-R662 PolarHBondContact O-N 3.14Å; Y660-R662 VanDerWaalsContact O-N 3.14Å |
| 663 | W | 84.1 | Confident | 80.1 | Confident | 43 Ų | 43 | 58.6 Ų | 58.6 | 16% | 0.163 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -121.7 | -3.5 | -170.2 | -63.1 | 114.3 | 0 | 0 | 0 | 114.2 | L627 L628 R631 V634 W653 F659 Y660 F669 | L627-W663 PolarHBondContact O-NE1 3.07Å; L628-W663 VanDerWaalsContact O-CZ2 3.28Å; L628-W663 WeakPolarHBondContact O-CZ2 3.21Å; R631-W663 HydrophobicContact CB-CH2 4Å; R631-W663 HydrophobicContact CB-CZ3 4.04Å; V634-W663 HydrophobicContact CG2-CZ2 4.18Å; W653-W663 HydrophobicContact CH2-CB 4.29Å; W653-W663 HydrophobicContact CZ2-CB 3.85Å; F659-W663 WeakPolarHBondContact O-CB 3.31Å; F659-W663 PolarHBondContact O-N 2.83Å; Y660-W663 PolarHBondContact O-N 3.15Å; W663-F669 HydrophobicContact CB-CD2 3.75Å; W663-F669 HydrophobicContact CB-CE2 4.2Å; W663-F669 HydrophobicContact CB-CG 4.5Å; W663-F669 HydrophobicContact CD2-CD2 4.26Å; W663-F669 AromaticContact CD2-CE2 3.86Å; W663-F669 HydrophobicContact CD2-CE2 3.86Å; W663-F669 HydrophobicContact CE3-CD2 4.14Å; W663-F669 AromaticContact CE3-CE2 3.78Å; W663-F669 HydrophobicContact CE3-CE2 3.78Å; W663-F669 HydrophobicContact CG-CD2 4.15Å; W663-F669 HydrophobicContact CG-CE2 4.08Å; W663-F669 HydrophobicContact CZ3-CE2 4.34Å |
| 664 | G | 85.6 | Confident | 80 | Confident | 29.6667 Ų | 29.6667 | 59.6 Ų | 59.6 | 31% | 0.306 | 31% | 0.312 | S | S | . | . | trans | 79.5 | -163 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113 | W653 Y660 | W653-G664 PolarHBondContact NE1-O 3.01Å; Y660-G664 WeakPolarHBondContact CA-O 3.44Å; Y660-G664 VanDerWaalsContact CD2-O 3.25Å; Y660-G664 WeakPolarHBondContact CD2-O 3.49Å; Y660-G664 VanDerWaalsContact O-CA 3.27Å; Y660-G664 WeakPolarHBondContact O-CA 3.1Å; Y660-G664 PolarHBondContact O-N 3.22Å | ||
| 665 | S | 87 | Confident | 80.1 | Confident | 29 Ų | 29 | 58.8 Ų | 58.8 | 20% | 0.203 | 32% | 0.323 | C | S | . | . | trans | -65 | 151.1 | 174.6 | 73.7 | 0 | 0 | 0 | 0 | 111.6 | D667 S668 F669 | S665-D667 VanDerWaalsContact C-N 3.3Å; S665-D667 PolarHBondContact O-N 3.31Å; S665-S668 WeakPolarHBondContact O-CB 3.34Å; S665-S668 PolarHBondContact O-N 3.35Å; S665-S668 VanDerWaalsContact O-N 3.07Å; S665-S668 VanDerWaalsContact OG-CB 3.3Å; S665-S668 WeakPolarHBondContact OG-CB 3.44Å; S665-S668 PolarHBondContact OG-N 3.27Å; S665-S668 VanDerWaalsContact OG-N 3.15Å; S665-S668 PolarHBondContact OG-OG 3.07Å; S665-F669 WeakPolarHBondContact O-CB 3.48Å; S665-F669 PolarHBondContact O-N 3.04Å | ||
| 666 | L | 88.3 | Confident | 80.8 | Confident | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -64.5 | -35.7 | -177.6 | -178.2 | 52.9 | 0 | 0 | 0 | 111.9 | L638 L647 E648 W653 Y654 S668 F669 L670 L703 | L638-L666 HydrophobicContact CD1-CD1 3.68Å; L638-L666 HydrophobicContact CD2-CD1 4.23Å; L638-L666 HydrophobicContact CD2-CD2 4.37Å; L647-L666 HydrophobicContact CB-CD2 3.9Å; E648-L666 HydrophobicContact CG-CB 4.41Å; E648-L666 HydrophobicContact CG-CD2 3.73Å; W653-L666 HydrophobicContact CD2-CB 3.99Å; W653-L666 HydrophobicContact CD2-CD1 3.91Å; W653-L666 HydrophobicContact CD2-CD2 4.38Å; W653-L666 HydrophobicContact CD2-CG 4.33Å; W653-L666 HydrophobicContact CE3-CD1 3.8Å; W653-L666 HydrophobicContact CE3-CD2 4.41Å; W653-L666 HydrophobicContact CG-CB 3.98Å; W653-L666 HydrophobicContact CG-CD2 4.49Å; W653-L666 HydrophobicContact CH2-CD1 3.83Å; W653-L666 HydrophobicContact CZ2-CB 4.48Å; W653-L666 HydrophobicContact CZ2-CD1 3.95Å; W653-L666 HydrophobicContact CZ3-CD1 3.77Å; Y654-L666 PolarHBondContact OH-N 3.22Å; L666-S668 PolarHBondContact O-N 3.04Å; L666-F669 HydrophobicContact CD1-CD1 4.3Å; L666-F669 PolarHBondContact O-N 3.19Å; L666-L670 HydrophobicContact CD1-CD1 4.02Å; L666-L670 HydrophobicContact CD1-CG 3.95Å; L666-L670 HydrophobicContact CG-CD1 4.06Å; L666-L670 HydrophobicContact CG-CG 4.44Å; L666-L670 WeakPolarHBondContact O-CB 3.36Å; L666-L670 WeakPolarHBondContact O-CG 3.32Å; L666-L670 PolarHBondContact O-N 2.91Å; L666-L703 HydrophobicContact CB-CD2 4.46Å; L666-L703 HydrophobicContact CD2-CD2 3.67Å; L666-L703 HydrophobicContact CG-CD2 3.86Å |
| 667 | D | 85 | Confident | 81.9 | Confident | 53.3333 Ų | 53.3333 | 58.8 Ų | 58.8 | 29% | 0.285 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -61.3 | -48.7 | 174.3 | -50.2 | -101.2 | 0 | 0 | 0 | 111.2 | S665 F669 L670 I671 R688 | S665-D667 VanDerWaalsContact C-N 3.3Å; S665-D667 PolarHBondContact O-N 3.31Å; D667-F669 VanDerWaalsContact C-N 3.34Å; D667-F669 PolarHBondContact O-N 3.1Å; D667-L670 PolarHBondContact O-N 3.02Å; D667-I671 VanDerWaalsContact O-CB 3.31Å; D667-I671 WeakPolarHBondContact O-CB 3.35Å; D667-I671 WeakPolarHBondContact O-CD1 3.36Å; D667-I671 WeakPolarHBondContact O-CG1 3.11Å; D667-I671 PolarHBondContact O-N 3.16Å; D667-R688 IonicContact OD1-CZ 2.97Å; D667-R688 IonicContact OD1-NE 3.15Å; D667-R688 PolarHBondContact OD1-NE 3.01Å; D667-R688 IonicContact OD1-NH2 3.04Å; D667-R688 PolarHBondContact OD1-NH2 3.04Å; D667-R688 IonicContact OD2-CZ 3.08Å; D667-R688 IonicContact OD2-NE 3.08Å; D667-R688 IonicContact OD2-NH2 3.13Å; D667-R688 PolarHBondContact OD2-NH2 3Å |
| 668 | S | 84.4 | Confident | 83.2 | Confident | 55 Ų | 55 | 54.7 Ų | 54.7 | 39% | 0.385 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -59.9 | -44.2 | 177.1 | -60.7 | 0 | 0 | 0 | 0 | 111 | S665 L666 L670 I671 E672 | S665-S668 WeakPolarHBondContact O-CB 3.34Å; S665-S668 PolarHBondContact O-N 3.35Å; S665-S668 VanDerWaalsContact O-N 3.07Å; S665-S668 VanDerWaalsContact OG-CB 3.3Å; S665-S668 WeakPolarHBondContact OG-CB 3.44Å; S665-S668 PolarHBondContact OG-N 3.27Å; S665-S668 VanDerWaalsContact OG-N 3.15Å; S665-S668 PolarHBondContact OG-OG 3.07Å; L666-S668 PolarHBondContact O-N 3.04Å; S668-L670 PolarHBondContact O-N 2.93Å; S668-I671 PolarHBondContact O-N 3.26Å; S668-E672 VanDerWaalsContact O-CB 3.24Å; S668-E672 WeakPolarHBondContact O-CB 3.22Å; S668-E672 VanDerWaalsContact O-CG 3.27Å; S668-E672 WeakPolarHBondContact O-CG 3.27Å; S668-E672 PolarHBondContact O-N 2.8Å |
| 669 | F | 90.8 | Very high | 84 | Confident | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -61.3 | -45 | 178.8 | 178.4 | -94.8 | 0 | 0 | 0 | 112.9 | R631 V634 I635 L638 W653 W663 S665 L666 D667 E672 A673 | R631-F669 HydrophobicContact CB-CE2 4.41Å; R631-F669 HydrophobicContact CG-CE2 3.76Å; R631-F669 HydrophobicContact CG-CZ 3.75Å; R631-F669 PolarHBondContact NH2-O 3.22Å; V634-F669 HydrophobicContact CB-CE1 4.26Å; V634-F669 HydrophobicContact CB-CE2 4.45Å; V634-F669 HydrophobicContact CB-CZ 3.69Å; V634-F669 HydrophobicContact CG1-CE1 3.79Å; V634-F669 HydrophobicContact CG1-CE2 4.33Å; V634-F669 HydrophobicContact CG1-CZ 3.61Å; I635-F669 HydrophobicContact CD1-CZ 4.47Å; I635-F669 HydrophobicContact CG1-CE1 3.72Å; I635-F669 HydrophobicContact CG1-CZ 3.88Å; L638-F669 HydrophobicContact CD1-CD1 4.17Å; L638-F669 HydrophobicContact CD1-CE1 3.93Å; W653-F669 HydrophobicContact CH2-CB 4.21Å; W653-F669 AromaticContact CH2-CD1 3.63Å; W653-F669 HydrophobicContact CH2-CD1 3.63Å; W653-F669 HydrophobicContact CH2-CD2 4.16Å; W653-F669 AromaticContact CH2-CE1 4Å; W653-F669 HydrophobicContact CH2-CE1 4.01Å; W653-F669 HydrophobicContact CH2-CE2 4.45Å; W653-F669 AromaticContact CH2-CG 3.72Å; W653-F669 HydrophobicContact CH2-CG 3.72Å; W653-F669 HydrophobicContact CH2-CZ 4.42Å; W653-F669 HydrophobicContact CZ2-CB 3.82Å; W653-F669 HydrophobicContact CZ2-CD1 4.13Å; W653-F669 HydrophobicContact CZ2-CD2 4.29Å; W653-F669 AromaticContact CZ2-CG 3.81Å; W653-F669 HydrophobicContact CZ2-CG 3.81Å; W663-F669 HydrophobicContact CB-CD2 3.75Å; W663-F669 HydrophobicContact CB-CE2 4.2Å; W663-F669 HydrophobicContact CB-CG 4.5Å; W663-F669 HydrophobicContact CD2-CD2 4.26Å; W663-F669 AromaticContact CD2-CE2 3.86Å; W663-F669 HydrophobicContact CD2-CE2 3.86Å; W663-F669 HydrophobicContact CE3-CD2 4.14Å; W663-F669 AromaticContact CE3-CE2 3.78Å; W663-F669 HydrophobicContact CE3-CE2 3.78Å; W663-F669 HydrophobicContact CG-CD2 4.15Å; W663-F669 HydrophobicContact CG-CE2 4.08Å; W663-F669 HydrophobicContact CZ3-CE2 4.34Å; S665-F669 WeakPolarHBondContact O-CB 3.48Å; S665-F669 PolarHBondContact O-N 3.04Å; L666-F669 HydrophobicContact CD1-CD1 4.3Å; L666-F669 PolarHBondContact O-N 3.19Å; D667-F669 VanDerWaalsContact C-N 3.34Å; D667-F669 PolarHBondContact O-N 3.1Å; F669-E672 PolarHBondContact O-N 2.98Å; F669-A673 WeakPolarHBondContact O-CB 3.46Å; F669-A673 PolarHBondContact O-N 3.18Å; F669-A673 VanDerWaalsContact O-N 3.14Å |
| 670 | L | 88.2 | Confident | 84.1 | Confident | 23 Ų | 23 | 58 Ų | 58 | 12% | 0.12 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -70.1 | -36.9 | 178.3 | -69.6 | 172.7 | 0 | 0 | 0 | 112.1 | L638 L666 D667 S668 G674 V678 L684 A686 L703 | L638-L670 HydrophobicContact CD1-CD2 4.16Å; L666-L670 HydrophobicContact CD1-CD1 4.02Å; L666-L670 HydrophobicContact CD1-CG 3.95Å; L666-L670 HydrophobicContact CG-CD1 4.06Å; L666-L670 HydrophobicContact CG-CG 4.44Å; L666-L670 WeakPolarHBondContact O-CB 3.36Å; L666-L670 WeakPolarHBondContact O-CG 3.32Å; L666-L670 PolarHBondContact O-N 2.91Å; D667-L670 PolarHBondContact O-N 3.02Å; S668-L670 PolarHBondContact O-N 2.93Å; L670-G674 PolarHBondContact O-N 3.35Å; L670-V678 HydrophobicContact CD2-CG1 4.19Å; L670-V678 HydrophobicContact CD2-CG2 4.12Å; L670-L684 HydrophobicContact CD2-CD2 4.36Å; L670-A686 HydrophobicContact CD1-CB 3.99Å; L670-L703 HydrophobicContact CD1-CD2 4.14Å |
| 671 | I | 85.5 | Confident | 84.3 | Confident | 134.667 Ų | 134.667 | 60.2 Ų | 60.2 | 69% | 0.691 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -66.9 | -43.9 | 176.1 | -69.9 | 166 | 0 | 0 | 0 | 110.9 | D667 S668 A673 G674 | D667-I671 VanDerWaalsContact O-CB 3.31Å; D667-I671 WeakPolarHBondContact O-CB 3.35Å; D667-I671 WeakPolarHBondContact O-CD1 3.36Å; D667-I671 WeakPolarHBondContact O-CG1 3.11Å; D667-I671 PolarHBondContact O-N 3.16Å; S668-I671 PolarHBondContact O-N 3.26Å; I671-A673 VanDerWaalsContact C-N 3.33Å; I671-A673 PolarHBondContact O-N 3.01Å; I671-G674 PolarHBondContact O-N 2.92Å; I671-G674 VanDerWaalsContact O-N 3.14Å |
| 672 | E | 84.9 | Confident | 84.8 | Confident | 123.667 Ų | 123.667 | 57.7 Ų | 57.7 | 58% | 0.578 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -67.8 | -30.5 | 177.4 | -80.8 | -175.9 | -157.4 | 0 | 0 | 113.9 | R631 S668 F669 G674 | R631-E672 IonicContact CZ-OE2 3.46Å; R631-E672 VanDerWaalsContact CZ-OE2 3.26Å; R631-E672 IonicContact NH1-OE2 3.21Å; R631-E672 PolarHBondContact NH1-OE2 2.91Å; R631-E672 VanDerWaalsContact NH1-OE2 3.1Å; R631-E672 IonicContact NH2-OE2 2.98Å; R631-E672 PolarHBondContact NH2-OE2 3.22Å; S668-E672 VanDerWaalsContact O-CB 3.24Å; S668-E672 WeakPolarHBondContact O-CB 3.22Å; S668-E672 VanDerWaalsContact O-CG 3.27Å; S668-E672 WeakPolarHBondContact O-CG 3.27Å; S668-E672 PolarHBondContact O-N 2.8Å; F669-E672 PolarHBondContact O-N 2.98Å; E672-G674 VanDerWaalsContact C-N 3.3Å; E672-G674 PolarHBondContact O-N 3.29Å |
| 673 | A | 84.6 | Confident | 85.3 | Confident | 12 Ų | 12 | 54 Ų | 54 | 10% | 0.099 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -67.3 | -28 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | I635 F669 I671 Q677 V678 | I635-A673 HydrophobicContact CD1-CB 3.63Å; I635-A673 HydrophobicContact CG1-CB 4.41Å; F669-A673 WeakPolarHBondContact O-CB 3.46Å; F669-A673 PolarHBondContact O-N 3.18Å; F669-A673 VanDerWaalsContact O-N 3.14Å; I671-A673 VanDerWaalsContact C-N 3.33Å; I671-A673 PolarHBondContact O-N 3.01Å; A673-Q677 WeakPolarHBondContact O-CB 3.38Å; A673-Q677 PolarHBondContact O-OE1 3Å; A673-Q677 VanDerWaalsContact O-OE1 3.07Å; A673-V678 HydrophobicContact CB-CG2 3.62Å |
| 674 | G | 81.9 | Confident | 85.6 | Confident | 20.6667 Ų | 20.6667 | 51.9 Ų | 51.9 | 21% | 0.213 | 29% | 0.291 | C | S | . | . | trans | 80.4 | 146.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | L670 I671 E672 E676 Q677 V678 | L670-G674 PolarHBondContact O-N 3.35Å; I671-G674 PolarHBondContact O-N 2.92Å; I671-G674 VanDerWaalsContact O-N 3.14Å; E672-G674 VanDerWaalsContact C-N 3.3Å; E672-G674 PolarHBondContact O-N 3.29Å; G674-E676 VanDerWaalsContact C-N 3.31Å; G674-E676 PolarHBondContact O-N 3.23Å; G674-Q677 PolarHBondContact O-N 2.98Å; G674-Q677 VanDerWaalsContact O-N 3.09Å; G674-V678 WeakPolarHBondContact O-CG2 3.4Å; G674-V678 PolarHBondContact O-N 3.02Å; G674-V678 VanDerWaalsContact O-N 3.13Å | ||
| 675 | A | 82.2 | Confident | 85.8 | Confident | 69 Ų | 69 | 51.9 Ų | 51.9 | 57% | 0.57 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -61.1 | -35 | -173.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q677 V678 C679 D680 | A675-Q677 VanDerWaalsContact C-N 3.29Å; A675-Q677 PolarHBondContact O-N 3.33Å; A675-V678 PolarHBondContact O-N 3.32Å; A675-C679 WeakPolarHBondContact O-CA 3.37Å; A675-C679 VanDerWaalsContact O-CB 3.24Å; A675-C679 WeakPolarHBondContact O-CB 3.43Å; A675-C679 PolarHBondContact O-N 3.15Å; A675-C679 PolarHBondContact O-SG 3.27Å; A675-D680 PolarHBondContact O-N 2.7Å |
| 676 | E | 81.1 | Confident | 85.9 | Confident | 137 Ų | 137 | 52.1 Ų | 52.1 | 64% | 0.64 | 29% | 0.287 | S | S | * | . | I | π-helix | trans | -62.6 | -40.7 | 177.9 | -171.7 | 175.8 | -177.5 | 0 | 0 | 111.4 | S186 Q187 G674 D680 Q681 | S186-E676 WeakPolarHBondContact CA-OE2 3.15Å; S186-E676 WeakPolarHBondContact CB-OE1 3.11Å; S186-E676 WeakPolarHBondContact CB-OE2 3.4Å; Q187-E676 PolarHBondContact N-OE2 3Å; G674-E676 VanDerWaalsContact C-N 3.31Å; G674-E676 PolarHBondContact O-N 3.23Å; E676-D680 VanDerWaalsContact O-CB 3.25Å; E676-D680 WeakPolarHBondContact O-CB 3.29Å; E676-D680 PolarHBondContact O-N 2.86Å; E676-Q681 PolarHBondContact O-N 3.11Å; E676-Q681 VanDerWaalsContact O-N 3.1Å |
| 677 | Q | 82.3 | Confident | 85.9 | Confident | 44 Ų | 44 | 54.3 Ų | 54.3 | 21% | 0.206 | 30% | 0.299 | C | S | . | . | I | π-helix | trans | -72.6 | -53.8 | 175.3 | -169.9 | 169.4 | 43.2 | 0 | 0 | 110.9 | I635 A673 G674 A675 Q681 Y682 | I635-Q677 VanDerWaalsContact CD1-CD 3.49Å; I635-Q677 HydrophobicContact CD1-CG 3.89Å; A673-Q677 WeakPolarHBondContact O-CB 3.38Å; A673-Q677 PolarHBondContact O-OE1 3Å; A673-Q677 VanDerWaalsContact O-OE1 3.07Å; G674-Q677 PolarHBondContact O-N 2.98Å; G674-Q677 VanDerWaalsContact O-N 3.09Å; A675-Q677 VanDerWaalsContact C-N 3.29Å; A675-Q677 PolarHBondContact O-N 3.33Å; Q677-Q681 VanDerWaalsContact O-CB 3.27Å; Q677-Q681 WeakPolarHBondContact O-CB 3.43Å; Q677-Q681 PolarHBondContact O-N 3.13Å; Q677-Y682 HydrophobicContact CG-CD2 4.17Å; Q677-Y682 HydrophobicContact CG-CE2 4Å; Q677-Y682 WeakPolarHBondContact O-CD2 3.43Å; Q677-Y682 PolarHBondContact O-N 3.37Å; Q677-Y682 VanDerWaalsContact O-N 3.14Å |
| 678 | V | 85.7 | Confident | 86 | Confident | 11 Ų | 11 | 54.2 Ų | 54.2 | 7% | 0.067 | 29% | 0.294 | C | S | . | . | I | π-helix | trans | -66.9 | -47.6 | -172.2 | 179.4 | 0 | 0 | 0 | 0 | 112 | I635 L670 A673 G674 A675 Y682 N683 L684 | I635-V678 HydrophobicContact CG2-CG2 4.49Å; L670-V678 HydrophobicContact CD2-CG1 4.19Å; L670-V678 HydrophobicContact CD2-CG2 4.12Å; A673-V678 HydrophobicContact CB-CG2 3.62Å; G674-V678 WeakPolarHBondContact O-CG2 3.4Å; G674-V678 PolarHBondContact O-N 3.02Å; G674-V678 VanDerWaalsContact O-N 3.13Å; A675-V678 PolarHBondContact O-N 3.32Å; V678-Y682 PolarHBondContact O-N 3.22Å; V678-N683 PolarHBondContact O-N 3.04Å; V678-L684 CarbonylContact C-O 3.4Å; V678-L684 HydrophobicContact CG1-CB 4.02Å; V678-L684 HydrophobicContact CG1-CD2 4.09Å; V678-L684 HydrophobicContact CG1-CG 4.03Å; V678-L684 PolarHBondContact O-N 2.99Å; V678-L684 VanDerWaalsContact O-N 3.07Å |
| 679 | C | 86.4 | Confident | 85.6 | Confident | 27.6667 Ų | 27.6667 | 52.8 Ų | 52.8 | 19% | 0.187 | 28% | 0.282 | C | S | . | . | I | π-helix | trans | -83.1 | -53.6 | -176.1 | -58.3 | 0 | 0 | 0 | 0 | 112.2 | A675 N683 L684 A708 H709 | A675-C679 WeakPolarHBondContact O-CA 3.37Å; A675-C679 VanDerWaalsContact O-CB 3.24Å; A675-C679 WeakPolarHBondContact O-CB 3.43Å; A675-C679 PolarHBondContact O-N 3.15Å; A675-C679 PolarHBondContact O-SG 3.27Å; C679-N683 WeakPolarHBondContact O-CA 3.43Å; C679-N683 PolarHBondContact O-N 3Å; C679-N683 VanDerWaalsContact O-N 3.1Å; C679-L684 WeakPolarHBondContact CA-O 3.21Å; C679-L684 PolarHBondContact SG-O 3.13Å; C679-A708 HydrophobicContact CB-CB 4.1Å; C679-H709 PolarHBondContact O-CD2 3.25Å; C679-H709 PolarHBondContact O-NE2 3.43Å |
| 680 | D | 83 | Confident | 84.5 | Confident | 89.3333 Ų | 89.3333 | 58.8 Ų | 58.8 | 48% | 0.478 | 31% | 0.314 | S | S | . | . | I | π-helix | trans | -80.9 | -36.6 | -171.4 | -66.8 | -60.5 | 0 | 0 | 0 | 113.4 | A675 E676 H709 R747 | A675-D680 PolarHBondContact O-N 2.7Å; E676-D680 VanDerWaalsContact O-CB 3.25Å; E676-D680 WeakPolarHBondContact O-CB 3.29Å; E676-D680 PolarHBondContact O-N 2.86Å; D680-H709 IonicContact OD1-CD2 3.26Å; D680-H709 IonicContact OD1-CE1 3.42Å; D680-H709 PolarHBondContact OD1-CE1 2.88Å; D680-H709 IonicContact OD1-NE2 3.39Å; D680-H709 PolarHBondContact OD1-NE2 3.09Å; D680-R747 IonicContact OD1-NH2 2.88Å; D680-R747 PolarHBondContact OD1-NH2 3.43Å |
| 681 | Q | 84.4 | Confident | 82.7 | Confident | 126.667 Ų | 126.667 | 60.5 Ų | 60.5 | 59% | 0.592 | 33% | 0.326 | S | S | * | . | I | π-helix | trans | -84 | -42 | 178.1 | -143.1 | -176.2 | -2.3 | 0 | 0 | 113 | E676 Q677 | E676-Q681 PolarHBondContact O-N 3.11Å; E676-Q681 VanDerWaalsContact O-N 3.1Å; Q677-Q681 VanDerWaalsContact O-CB 3.27Å; Q677-Q681 WeakPolarHBondContact O-CB 3.43Å; Q677-Q681 PolarHBondContact O-N 3.13Å |
| 682 | Y | 86.5 | Confident | 80.8 | Confident | 44.6667 Ų | 44.6667 | 61.5 Ų | 61.5 | 18% | 0.175 | 33% | 0.325 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.2 | 0.7 | -173.1 | -70.1 | -83 | 0 | 0 | 0 | 114.9 | E632 I635 S639 Q677 V678 L684 | E632-Y682 WeakPolarHBondContact CB-OH 3.38Å; E632-Y682 PolarHBondContact O-OH 3.42Å; I635-Y682 HydrophobicContact CB-CD2 4.2Å; I635-Y682 HydrophobicContact CB-CE2 4.24Å; I635-Y682 HydrophobicContact CB-CG 4.44Å; I635-Y682 HydrophobicContact CG2-CD1 4.16Å; I635-Y682 HydrophobicContact CG2-CD2 3.42Å; I635-Y682 VanDerWaalsContact CG2-CD2 3.42Å; I635-Y682 HydrophobicContact CG2-CE1 4.4Å; I635-Y682 HydrophobicContact CG2-CE2 3.96Å; I635-Y682 HydrophobicContact CG2-CG 3.54Å; S639-Y682 WeakPolarHBondContact CB-O 3.39Å; Q677-Y682 HydrophobicContact CG-CD2 4.17Å; Q677-Y682 HydrophobicContact CG-CE2 4Å; Q677-Y682 WeakPolarHBondContact O-CD2 3.43Å; Q677-Y682 PolarHBondContact O-N 3.37Å; Q677-Y682 VanDerWaalsContact O-N 3.14Å; V678-Y682 PolarHBondContact O-N 3.22Å; Y682-L684 PolarHBondContact O-N 2.85Å; Y682-L684 VanDerWaalsContact O-N 3.1Å |
| 683 | N | 89.4 | Confident | 78.4 | Confident | 59.6667 Ų | 59.6667 | 61.7 Ų | 61.7 | 32% | 0.319 | 33% | 0.331 | S | S | . | . | trans | 55.2 | 25 | 178.7 | -163.8 | 16.4 | 0 | 0 | 0 | 113.9 | V678 C679 T707 A708 H709 | V678-N683 PolarHBondContact O-N 3.04Å; C679-N683 WeakPolarHBondContact O-CA 3.43Å; C679-N683 PolarHBondContact O-N 3Å; C679-N683 VanDerWaalsContact O-N 3.1Å; N683-T707 WeakPolarHBondContact ND2-CG2 3.44Å; N683-T707 WeakPolarHBondContact OD1-CG2 3.36Å; N683-A708 PolarHBondContact O-N 3.12Å; N683-A708 VanDerWaalsContact O-N 3.13Å; N683-A708 PolarHBondContact OD1-N 3.1Å; N683-H709 PolarHBondContact OD1-N 3.13Å | ||
| 684 | L | 90.2 | Very high | 76.1 | Confident | 0 Ų | 0 | 63.8 Ų | 63.8 | 0% | 0 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 130 | -176.5 | 175.7 | 60.4 | 0 | 0 | 0 | 109.6 | L638 L647 L670 V678 C679 Y682 R705 | L638-L684 HydrophobicContact CB-CD2 3.9Å; L647-L684 HydrophobicContact CD1-CD1 4.44Å; L647-L684 HydrophobicContact CD2-CD1 4.44Å; L670-L684 HydrophobicContact CD2-CD2 4.36Å; V678-L684 CarbonylContact C-O 3.4Å; V678-L684 HydrophobicContact CG1-CB 4.02Å; V678-L684 HydrophobicContact CG1-CD2 4.09Å; V678-L684 HydrophobicContact CG1-CG 4.03Å; V678-L684 PolarHBondContact O-N 2.99Å; V678-L684 VanDerWaalsContact O-N 3.07Å; C679-L684 WeakPolarHBondContact CA-O 3.21Å; C679-L684 PolarHBondContact SG-O 3.13Å; Y682-L684 PolarHBondContact O-N 2.85Å; Y682-L684 VanDerWaalsContact O-N 3.1Å; L684-R705 HydrophobicContact CD1-CG 3.67Å |
| 685 | L | 89.9 | Confident | 73.6 | Confident | 29.3333 Ų | 29.3333 | 65.6 Ų | 65.6 | 15% | 0.154 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 139.5 | 166.4 | 179.5 | 71 | 0 | 0 | 0 | 107.9 | I687 L706 A708 A745 | L685-I687 HydrophobicContact CD2-CD1 4.23Å; L685-I687 HydrophobicContact CD2-CG1 4.37Å; L685-I687 HydrophobicContact CG-CG1 4.36Å; L685-L706 HydrophobicContact CB-CB 3.97Å; L685-L706 HydrophobicContact CD2-CB 4.01Å; L685-L706 HydrophobicContact CD2-CD1 4Å; L685-L706 HydrophobicContact CG-CB 4.21Å; L685-L706 HydrophobicContact CG-CD1 4.48Å; L685-L706 PolarHBondContact N-O 2.95Å; L685-L706 WeakPolarHBondContact O-CA 3.26Å; L685-L706 PolarHBondContact O-N 3.28Å; L685-L706 VanDerWaalsContact O-O 3.08Å; L685-A708 HydrophobicContact CB-CB 4.28Å; L685-A745 HydrophobicContact CD2-CB 3.54Å; L685-A745 VanDerWaalsContact CD2-CB 3.41Å |
| 686 | A | 89 | Confident | 71.1 | Confident | 32.6667 Ų | 32.6667 | 66.9 Ų | 66.9 | 27% | 0.27 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 130.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | L647 L670 L703 L704 | L647-A686 HydrophobicContact CD1-CB 3.6Å; L670-A686 HydrophobicContact CD1-CB 3.99Å; A686-L703 HydrophobicContact CB-CD1 4.03Å; A686-L703 HydrophobicContact CB-CD2 4.42Å; A686-L703 HydrophobicContact CB-CG 4.12Å; A686-L704 WeakPolarHBondContact CA-O 3.21Å |
| 687 | I | 87.9 | Confident | 68.7 | Low | 47 Ų | 47 | 64.6 Ų | 64.6 | 24% | 0.241 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 116.4 | 177.3 | -91.6 | -172.1 | 0 | 0 | 0 | 110 | L685 I689 L703 L704 L706 I743 | L685-I687 HydrophobicContact CD2-CD1 4.23Å; L685-I687 HydrophobicContact CD2-CG1 4.37Å; L685-I687 HydrophobicContact CG-CG1 4.36Å; I687-I689 PolarHBondContact O-N 3.12Å; I687-L703 CarbonylContact O-C 3.57Å; I687-L704 HydrophobicContact CG2-CB 4.02Å; I687-L704 PolarHBondContact N-O 3.03Å; I687-L704 PolarHBondContact O-N 2.88Å; I687-L706 HydrophobicContact CB-CD1 4.29Å; I687-L706 HydrophobicContact CD1-CD1 3.39Å; I687-L706 HydrophobicContact CG1-CD1 3.77Å; I687-L706 HydrophobicContact CG1-CG 4.49Å; I687-L706 HydrophobicContact CG2-CD1 3.63Å; I687-L706 HydrophobicContact CG2-CG 4.05Å; I687-I743 HydrophobicContact CD1-CD1 3.37Å; I687-I743 HydrophobicContact CD1-CG1 4.39Å |
| 688 | R | 87.2 | Confident | 66.4 | Low | 50.3333 Ų | 50.3333 | 64.2 Ų | 64.2 | 19% | 0.19 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 118.4 | 171.8 | -164.5 | 169.6 | -71.2 | -79.5 | 9.3 | 108.9 | E648 D667 L690 N701 Q702 L703 | E648-R688 IonicContact OE1-CZ 3.31Å; E648-R688 IonicContact OE1-NH1 3.35Å; E648-R688 PolarHBondContact OE1-NH1 2.94Å; E648-R688 IonicContact OE1-NH2 3.51Å; E648-R688 PolarHBondContact OE1-NH2 3.2Å; E648-R688 IonicContact OE2-CZ 3.42Å; E648-R688 IonicContact OE2-NH1 3.66Å; E648-R688 PolarHBondContact OE2-NH1 3.29Å; E648-R688 IonicContact OE2-NH2 3.38Å; E648-R688 PolarHBondContact OE2-NH2 3.05Å; E648-R688 VanDerWaalsContact OE2-NH2 3.16Å; D667-R688 IonicContact OD1-CZ 2.97Å; D667-R688 IonicContact OD1-NE 3.15Å; D667-R688 PolarHBondContact OD1-NE 3.01Å; D667-R688 IonicContact OD1-NH2 3.04Å; D667-R688 PolarHBondContact OD1-NH2 3.04Å; D667-R688 IonicContact OD2-CZ 3.08Å; D667-R688 IonicContact OD2-NE 3.08Å; D667-R688 IonicContact OD2-NH2 3.13Å; D667-R688 PolarHBondContact OD2-NH2 3Å; R688-L690 HydrophobicContact CG-CD2 4.37Å; R688-L690 PolarHBondContact O-N 3.13Å; R688-N701 PolarHBondContact NH1-ND2 2.93Å; R688-N701 PolarHBondContact NH1-O 3.13Å; R688-Q702 WeakPolarHBondContact CA-O 3.35Å; R688-L703 HydrophobicContact CB-CD1 3.81Å; R688-L703 HydrophobicContact CG-CD1 4.43Å |
| 689 | I | 76.8 | Confident | 64.1 | Low | 26.3333 Ų | 26.3333 | 70.4 Ų | 70.4 | 14% | 0.135 | 40% | 0.402 | C | S | . | . | P | Polyproline II helix | trans | -77.2 | 116.8 | 166.8 | -62.9 | -178.1 | 0 | 0 | 0 | 106.3 | I687 N700 N701 Q702 L704 P789 L792 | I687-I689 PolarHBondContact O-N 3.12Å; I689-N700 WeakPolarHBondContact CB-O 3.39Å; I689-N701 CarbonylContact O-C 3.59Å; I689-N701 VanDerWaalsContact O-CA 3.3Å; I689-N701 WeakPolarHBondContact O-CA 3.36Å; I689-Q702 PolarHBondContact N-O 3.1Å; I689-L704 HydrophobicContact CD1-CD1 3.51Å; I689-L704 VanDerWaalsContact CD1-CD1 3.42Å; I689-L704 HydrophobicContact CD1-CG 4.35Å; I689-L704 HydrophobicContact CG1-CD1 4.19Å; I689-L704 HydrophobicContact CG1-CG 4.45Å; I689-P789 HydrophobicContact CD1-CB 3.46Å; I689-P789 VanDerWaalsContact CD1-CB 3.46Å; I689-P789 HydrophobicContact CD1-CG 3.84Å; I689-L792 HydrophobicContact CD1-CD1 4.38Å |
| 690 | L | 66.6 | Low | 62.2 | Low | 126.667 Ų | 126.667 | 72.5 Ų | 72.5 | 66% | 0.663 | 41% | 0.412 | S | S | * | . | P | Polyproline II helix | trans | -80.2 | 139.1 | 174.7 | -63.1 | 176.2 | 0 | 0 | 0 | 109.3 | R688 F692 | R688-L690 HydrophobicContact CG-CD2 4.37Å; R688-L690 PolarHBondContact O-N 3.13Å; L690-F692 PolarHBondContact O-N 3.44Å |
| 691 | P | 51.3 | Low | 61 | Low | 57.6667 Ų | 57.6667 | 72 Ų | 72 | 37% | 0.374 | 41% | 0.409 | S | S | . | . | P | Polyproline II helix | trans | -60.9 | 141.2 | 168.5 | 26.8 | -33 | 0 | 0 | 0 | 109.6 | D693 N701 | P691-D693 PolarHBondContact O-N 3.19Å; P691-D693 VanDerWaalsContact O-N 3.12Å; P691-N701 WeakPolarHBondContact CD-OD1 3.47Å |
| 692 | F | 45.4 | Very low | 60.6 | Low | 155.333 Ų | 155.333 | 69.3 Ų | 69.3 | 68% | 0.681 | 40% | 0.397 | S | S | * | . | P | Polyproline II helix | trans | -66.1 | 136.3 | 168.7 | -97.7 | -88.9 | 0 | 0 | 0 | 108.9 | L690 G694 A695 S916 | L690-F692 PolarHBondContact O-N 3.44Å; F692-G694 VanDerWaalsContact C-N 3.3Å; F692-G694 PolarHBondContact O-N 2.91Å; F692-A695 PolarHBondContact O-N 2.94Å; F692-S916 VanDerWaalsContact CE1-CB 3.47Å |
| 693 | D | 34.9 | Very low | 60.6 | Low | 129.333 Ų | 129.333 | 67.5 Ų | 67.5 | 69% | 0.692 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.8 | 116.4 | -163.8 | -86.1 | -51.9 | 0 | 0 | 0 | 115.2 | P691 A695 L1037 | P691-D693 PolarHBondContact O-N 3.19Å; P691-D693 VanDerWaalsContact O-N 3.12Å; D693-A695 PolarHBondContact O-N 3.46Å; D693-L1037 HydrophobicContact CB-CD2 4.19Å |
| 694 | G | 35.9 | Very low | 60.6 | Low | 56.3333 Ų | 56.3333 | 65 Ų | 65 | 58% | 0.581 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 99.1 | -5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 116 | F692 V696 | F692-G694 VanDerWaalsContact C-N 3.3Å; F692-G694 PolarHBondContact O-N 2.91Å; G694-V696 PolarHBondContact O-N 3.4Å; G694-V696 VanDerWaalsContact O-N 3.08Å |
| 695 | A | 29.2 | Very low | 60.6 | Low | 57 Ų | 57 | 66.4 Ų | 66.4 | 47% | 0.471 | 38% | 0.381 | S | S | . | . | trans | -82.3 | 83.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | F692 D693 V697 | F692-A695 PolarHBondContact O-N 2.94Å; D693-A695 PolarHBondContact O-N 3.46Å; A695-V697 PolarHBondContact O-N 3.13Å | ||
| 696 | V | 30.1 | Very low | 60.7 | Low | 97 Ų | 97 | 65 Ų | 65 | 59% | 0.588 | 37% | 0.374 | S | S | * | . | trans | -82.4 | 98.1 | 170.4 | -179.5 | 0 | 0 | 0 | 0 | 109.8 | G694 I1467 | G694-V696 PolarHBondContact O-N 3.4Å; G694-V696 VanDerWaalsContact O-N 3.08Å; V696-I1467 HydrophobicContact CG1-CD1 3.84Å; V696-I1467 HydrophobicContact CG1-CG1 3.88Å | ||
| 697 | V | 29.9 | Very low | 60.8 | Low | 88 Ų | 88 | 63.8 Ų | 63.8 | 53% | 0.533 | 36% | 0.364 | S | S | . | . | S | Bend | trans | 172.6 | 119.4 | 164.3 | 165.7 | 0 | 0 | 0 | 0 | 111 | A695 | A695-V697 PolarHBondContact O-N 3.13Š|
| 698 | G | 33.8 | Very low | 60.9 | Low | 35.3333 Ų | 35.3333 | 61.7 Ų | 61.7 | 36% | 0.364 | 35% | 0.353 | S | S | . | . | S | Bend | trans | 115.8 | 134.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | N700 | G698-N700 PolarHBondContact O-N 3.1Š|
| 699 | N | 38.5 | Very low | 60.9 | Low | 142 Ų | 142 | 61.9 Ų | 61.9 | 76% | 0.759 | 36% | 0.356 | S | S | * | . | S | Bend | trans | -65.9 | 59.7 | -176.1 | -74.8 | -7.2 | 0 | 0 | 0 | 113.4 | N701 Q702 | N699-N701 VanDerWaalsContact C-N 3.31Å; N699-N701 PolarHBondContact O-N 2.92Å; N699-Q702 WeakPolarHBondContact O-CG 3.37Å; N699-Q702 PolarHBondContact O-NE2 3.36Å |
| 700 | N | 46.5 | Very low | 61.6 | Low | 72.6667 Ų | 72.6667 | 60.9 Ų | 60.9 | 39% | 0.389 | 35% | 0.351 | S | S | . | . | trans | -90.7 | -7.4 | -174.1 | -74.8 | -25.2 | 0 | 0 | 0 | 114.1 | I689 G698 Q702 | I689-N700 WeakPolarHBondContact CB-O 3.39Å; G698-N700 PolarHBondContact O-N 3.1Å; N700-Q702 PolarHBondContact O-N 3.08Å | ||
| 701 | N | 58.5 | Low | 62.5 | Low | 78.3333 Ų | 78.3333 | 56.8 Ų | 56.8 | 42% | 0.419 | 33% | 0.333 | S | S | . | . | trans | -78.1 | 29.7 | 179.4 | -159.8 | 47.1 | 0 | 0 | 0 | 113.6 | R688 I689 P691 N699 | R688-N701 PolarHBondContact NH1-ND2 2.93Å; R688-N701 PolarHBondContact NH1-O 3.13Å; I689-N701 CarbonylContact O-C 3.59Å; I689-N701 VanDerWaalsContact O-CA 3.3Å; I689-N701 WeakPolarHBondContact O-CA 3.36Å; P691-N701 WeakPolarHBondContact CD-OD1 3.47Å; N699-N701 VanDerWaalsContact C-N 3.31Å; N699-N701 PolarHBondContact O-N 2.92Å | ||
| 702 | Q | 74.3 | Confident | 64.4 | Low | 70.6667 Ų | 70.6667 | 57 Ų | 57 | 33% | 0.33 | 34% | 0.335 | S | S | . | . | trans | -68.2 | 136 | -169.5 | -64 | 175.5 | 10.4 | 0 | 0 | 111.6 | D646 R688 I689 N699 N700 L704 | D646-Q702 HydrophobicContact CB-CB 4.09Å; D646-Q702 HydrophobicContact CB-CG 4.29Å; D646-Q702 WeakPolarHBondContact OD2-CA 3.43Å; D646-Q702 WeakPolarHBondContact OD2-CB 3.21Å; R688-Q702 WeakPolarHBondContact CA-O 3.35Å; I689-Q702 PolarHBondContact N-O 3.1Å; N699-Q702 WeakPolarHBondContact O-CG 3.37Å; N699-Q702 PolarHBondContact O-NE2 3.36Å; N700-Q702 PolarHBondContact O-N 3.08Å; Q702-L704 HydrophobicContact CB-CD2 3.94Å; Q702-L704 HydrophobicContact CB-CG 4.31Å; Q702-L704 PolarHBondContact O-N 2.98Å | ||
| 703 | L | 86.8 | Confident | 66.6 | Low | 6.66667 Ų | 6.66667 | 54.7 Ų | 54.7 | 4% | 0.035 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 82.8 | 175.7 | -172.7 | 69.1 | 0 | 0 | 0 | 109.6 | D646 L647 E648 L666 L670 A686 I687 R688 | D646-L703 PolarHBondContact OD1-N 3.37Å; L647-L703 HydrophobicContact CB-CD2 4.27Å; L647-L703 HydrophobicContact CB-CG 4.46Å; L647-L703 WeakPolarHBondContact CB-O 3.37Å; L647-L703 HydrophobicContact CD1-CD2 4.28Å; L647-L703 HydrophobicContact CD1-CG 4.23Å; L647-L703 WeakPolarHBondContact CG-O 3.35Å; L647-L703 PolarHBondContact N-O 3.19Å; E648-L703 HydrophobicContact CG-CB 4.18Å; E648-L703 HydrophobicContact CG-CD2 4.3Å; L666-L703 HydrophobicContact CB-CD2 4.46Å; L666-L703 HydrophobicContact CD2-CD2 3.67Å; L666-L703 HydrophobicContact CG-CD2 3.86Å; L670-L703 HydrophobicContact CD1-CD2 4.14Å; A686-L703 HydrophobicContact CB-CD1 4.03Å; A686-L703 HydrophobicContact CB-CD2 4.42Å; A686-L703 HydrophobicContact CB-CG 4.12Å; I687-L703 CarbonylContact O-C 3.57Å; R688-L703 HydrophobicContact CB-CD1 3.81Å; R688-L703 HydrophobicContact CG-CD1 4.43Å |
| 704 | L | 89 | Confident | 69.3 | Low | 6 Ų | 6 | 51.3 Ų | 51.3 | 3% | 0.031 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 133.1 | -171.1 | -61.4 | -176.5 | 0 | 0 | 0 | 113 | L644 M645 D646 A686 I687 I689 Q702 P789 | L644-L704 HydrophobicContact CD2-CD1 4.49Å; M645-L704 WeakPolarHBondContact O-CA 3.39Å; D646-L704 HydrophobicContact CB-CD2 4.41Å; A686-L704 WeakPolarHBondContact CA-O 3.21Å; I687-L704 HydrophobicContact CG2-CB 4.02Å; I687-L704 PolarHBondContact N-O 3.03Å; I687-L704 PolarHBondContact O-N 2.88Å; I689-L704 HydrophobicContact CD1-CD1 3.51Å; I689-L704 VanDerWaalsContact CD1-CD1 3.42Å; I689-L704 HydrophobicContact CD1-CG 4.35Å; I689-L704 HydrophobicContact CG1-CD1 4.19Å; I689-L704 HydrophobicContact CG1-CG 4.45Å; Q702-L704 HydrophobicContact CB-CD2 3.94Å; Q702-L704 HydrophobicContact CB-CG 4.31Å; Q702-L704 PolarHBondContact O-N 2.98Å; L704-P789 HydrophobicContact CD1-CB 4.33Å; L704-P789 HydrophobicContact CD1-CG 3.39Å; L704-P789 VanDerWaalsContact CD1-CG 3.46Å |
| 705 | R | 91.6 | Very high | 72 | Confident | 29 Ų | 29 | 48.6 Ų | 48.6 | 11% | 0.109 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 126 | 171.8 | -171.4 | -88.4 | -171.3 | -154.6 | -6 | 111.7 | S639 C641 S643 L644 M645 L647 L684 T707 D736 | S639-R705 PolarHBondContact O-NH2 3.36Å; C641-R705 HydrophobicContact CB-CB 4.39Å; C641-R705 HydrophobicContact CB-CG 4.12Å; C641-R705 WeakPolarHBondContact O-CD 3.35Å; C641-R705 WeakPolarHBondContact O-CG 3.28Å; C641-R705 PolarHBondContact O-NE 2.82Å; C641-R705 VanDerWaalsContact O-NE 3.14Å; S643-R705 PolarHBondContact OG-NH1 3.45Å; L644-R705 WeakPolarHBondContact CA-O 3.43Å; L644-R705 PolarHBondContact N-O 3.17Å; M645-R705 PolarHBondContact O-N 3Å; L647-R705 HydrophobicContact CD1-CB 4.3Å; L647-R705 HydrophobicContact CD2-CB 4.03Å; L647-R705 HydrophobicContact CD2-CG 4.18Å; L647-R705 HydrophobicContact CG-CB 3.96Å; L684-R705 HydrophobicContact CD1-CG 3.67Å; R705-T707 PolarHBondContact NH1-OG1 3.1Å; R705-D736 IonicContact NH1-OD2 3.27Å; R705-D736 PolarHBondContact NH1-OD2 3.04Å |
| 706 | L | 91.7 | Very high | 75 | Confident | 1.33333 Ų | 1.33333 | 50.7 Ų | 50.7 | 1% | 0.007 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 163 | 171 | -67.5 | 179.4 | 0 | 0 | 0 | 111.1 | L644 L685 I687 D736 I739 I743 | L644-L706 HydrophobicContact CD2-CD2 3.54Å; L644-L706 VanDerWaalsContact CD2-CD2 3.45Å; L685-L706 HydrophobicContact CB-CB 3.97Å; L685-L706 HydrophobicContact CD2-CB 4.01Å; L685-L706 HydrophobicContact CD2-CD1 4Å; L685-L706 HydrophobicContact CG-CB 4.21Å; L685-L706 HydrophobicContact CG-CD1 4.48Å; L685-L706 PolarHBondContact N-O 2.95Å; L685-L706 WeakPolarHBondContact O-CA 3.26Å; L685-L706 PolarHBondContact O-N 3.28Å; L685-L706 VanDerWaalsContact O-O 3.08Å; I687-L706 HydrophobicContact CB-CD1 4.29Å; I687-L706 HydrophobicContact CD1-CD1 3.39Å; I687-L706 HydrophobicContact CG1-CD1 3.77Å; I687-L706 HydrophobicContact CG1-CG 4.49Å; I687-L706 HydrophobicContact CG2-CD1 3.63Å; I687-L706 HydrophobicContact CG2-CG 4.05Å; L706-D736 WeakPolarHBondContact CA-OD1 3.41Å; L706-D736 HydrophobicContact CD2-CB 3.94Å; L706-D736 WeakPolarHBondContact CD2-OD1 3.32Å; L706-I739 HydrophobicContact CD1-CG2 3.97Å; L706-I739 HydrophobicContact CD2-CB 4.39Å; L706-I739 HydrophobicContact CD2-CG2 4.15Å; L706-I743 HydrophobicContact CD1-CD1 3.97Å |
| 707 | T | 91.8 | Very high | 77.9 | Confident | 7.66667 Ų | 7.66667 | 49.4 Ų | 49.4 | 5% | 0.047 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 124.8 | 174 | -53.8 | 0 | 0 | 0 | 0 | 109.5 | N683 R705 P710 D736 Y737 | N683-T707 WeakPolarHBondContact ND2-CG2 3.44Å; N683-T707 WeakPolarHBondContact OD1-CG2 3.36Å; R705-T707 PolarHBondContact NH1-OG1 3.1Å; T707-P710 HydrophobicContact CG2-CB 4.19Å; T707-P710 WeakPolarHBondContact O-CD 3.28Å; T707-D736 VanDerWaalsContact N-CG 3.32Å; T707-D736 PolarHBondContact N-OD1 3.42Å; T707-D736 PolarHBondContact N-OD2 3.14Å; T707-D736 VanDerWaalsContact N-OD2 3.14Å; T707-D736 PolarHBondContact OG1-OD2 3.16Å; T707-Y737 HydrophobicContact CG2-CE1 4.13Å |
| 708 | A | 89.3 | Confident | 80.9 | Confident | 2.33333 Ų | 2.33333 | 45.3 Ų | 45.3 | 2% | 0.019 | 25% | 0.247 | C | C | . | . | S | Bend | trans | -71.2 | -42.1 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | C679 N683 L685 P710 S746 R747 | C679-A708 HydrophobicContact CB-CB 4.1Å; N683-A708 PolarHBondContact O-N 3.12Å; N683-A708 VanDerWaalsContact O-N 3.13Å; N683-A708 PolarHBondContact OD1-N 3.1Å; L685-A708 HydrophobicContact CB-CB 4.28Å; A708-P710 VanDerWaalsContact C-CD 3.47Å; A708-P710 VanDerWaalsContact O-CD 3.32Å; A708-P710 WeakPolarHBondContact O-CD 3.07Å; A708-S746 VanDerWaalsContact O-CA 3.25Å; A708-S746 WeakPolarHBondContact O-CA 3.33Å; A708-R747 PolarHBondContact O-N 3.45Å |
| 709 | H | 88 | Confident | 83.6 | Confident | 53.6667 Ų | 53.6667 | 43.6 Ų | 43.6 | 25% | 0.248 | 23% | 0.23 | C | C | . | . | S | Bend | trans | -127.6 | 55.1 | -169.3 | -53.7 | -37.2 | 0 | 0 | 0 | 113.5 | C679 D680 N683 R747 | C679-H709 PolarHBondContact O-CD2 3.25Å; C679-H709 PolarHBondContact O-NE2 3.43Å; D680-H709 IonicContact OD1-CD2 3.26Å; D680-H709 IonicContact OD1-CE1 3.42Å; D680-H709 PolarHBondContact OD1-CE1 2.88Å; D680-H709 IonicContact OD1-NE2 3.39Å; D680-H709 PolarHBondContact OD1-NE2 3.09Å; N683-H709 PolarHBondContact OD1-N 3.13Å; H709-R747 PolarHBondContact CE1-NE 3.02Å; H709-R747 VanDerWaalsContact CE1-NE 3.28Å; H709-R747 PolarHBondContact CE1-NH2 3.27Å; H709-R747 PolarHBondContact ND1-NE 3.11Å; H709-R747 PolarHBondContact NE2-NH2 2.98Å |
| 710 | P | 89.6 | Confident | 86 | Confident | 5 Ų | 5 | 41.3 Ų | 41.3 | 3% | 0.032 | 21% | 0.214 | C | C | . | . | trans | -68.5 | 136.4 | 174.8 | 31.3 | -34.1 | 0 | 0 | 0 | 110.8 | T707 A708 Y737 L748 | T707-P710 HydrophobicContact CG2-CB 4.19Å; T707-P710 WeakPolarHBondContact O-CD 3.28Å; A708-P710 VanDerWaalsContact C-CD 3.47Å; A708-P710 VanDerWaalsContact O-CD 3.32Å; A708-P710 WeakPolarHBondContact O-CD 3.07Å; P710-Y737 HydrophobicContact CB-CD1 3.46Å; P710-Y737 VanDerWaalsContact CB-CD1 3.46Å; P710-Y737 HydrophobicContact CB-CE1 3.59Å; P710-Y737 HydrophobicContact CB-CG 3.99Å; P710-Y737 HydrophobicContact CG-CD1 3.94Å; P710-Y737 HydrophobicContact CG-CE1 4.43Å; P710-Y737 HydrophobicContact CG-CG 4.48Å; P710-L748 HydrophobicContact CG-CB 4.2Å | ||
| 711 | S | 87.2 | Confident | 87.9 | Confident | 41.3333 Ų | 41.3333 | 43.5 Ų | 43.5 | 29% | 0.289 | 22% | 0.221 | S | C | . | . | trans | -86.6 | 158.7 | 173.3 | 78.7 | 0 | 0 | 0 | 0 | 111.7 | N713 D714 L715 | S711-N713 PolarHBondContact O-N 2.96Å; S711-N713 VanDerWaalsContact O-N 3.14Å; S711-N713 PolarHBondContact OG-N 3.29Å; S711-D714 WeakPolarHBondContact CA-OD2 3.31Å; S711-D714 VanDerWaalsContact CB-OD2 3.25Å; S711-D714 WeakPolarHBondContact CB-OD2 3.37Å; S711-D714 PolarHBondContact N-OD2 3.24Å; S711-D714 WeakPolarHBondContact O-CB 3.12Å; S711-D714 PolarHBondContact O-N 3.11Å; S711-D714 VanDerWaalsContact OG-CG 3.25Å; S711-D714 PolarHBondContact OG-N 3.13Å; S711-D714 PolarHBondContact OG-OD1 3.32Å; S711-D714 PolarHBondContact OG-OD2 2.87Å; S711-L715 PolarHBondContact O-N 2.94Å | ||
| 712 | P | 89.6 | Confident | 89.4 | Confident | 61.6667 Ų | 61.6667 | 39.8 Ų | 39.8 | 40% | 0.4 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -52 | -32.1 | 169.6 | -30.5 | 37.9 | 0 | 0 | 0 | 113.9 | K716 L748 I756 | P712-K716 PolarHBondContact O-N 3Å; P712-L748 HydrophobicContact CB-CD1 4.4Å; P712-L748 HydrophobicContact CG-CD1 4.08Å; P712-I756 HydrophobicContact CB-CD1 3.91Å; P712-I756 VanDerWaalsContact O-CD1 3.3Å; P712-I756 WeakPolarHBondContact O-CD1 3.3Å |
| 713 | N | 91.5 | Very high | 89.8 | Confident | 106.667 Ų | 106.667 | 40.2 Ų | 40.2 | 57% | 0.57 | 20% | 0.199 | S | C | * | . | H | α-helix | trans | -73 | -31.2 | 176.9 | -89.5 | -10.6 | 0 | 0 | 0 | 112.2 | S711 K716 N717 | S711-N713 PolarHBondContact O-N 2.96Å; S711-N713 VanDerWaalsContact O-N 3.14Å; S711-N713 PolarHBondContact OG-N 3.29Å; N713-K716 PolarHBondContact O-N 3.2Å; N713-N717 VanDerWaalsContact O-CB 3.3Å; N713-N717 WeakPolarHBondContact O-CB 3.3Å; N713-N717 PolarHBondContact O-N 3.3Å; N713-N717 PolarHBondContact O-ND2 3.36Å; N713-N717 VanDerWaalsContact O-ND2 3.14Å; N713-N717 PolarHBondContact O-OD1 3.36Å |
| 714 | D | 92.2 | Very high | 89.5 | Confident | 59 Ų | 59 | 49.6 Ų | 49.6 | 32% | 0.316 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -68.6 | -40.7 | 178.9 | -60.2 | -49.4 | 0 | 0 | 0 | 111.4 | S711 N717 A718 Y737 | S711-D714 WeakPolarHBondContact CA-OD2 3.31Å; S711-D714 VanDerWaalsContact CB-OD2 3.25Å; S711-D714 WeakPolarHBondContact CB-OD2 3.37Å; S711-D714 PolarHBondContact N-OD2 3.24Å; S711-D714 WeakPolarHBondContact O-CB 3.12Å; S711-D714 PolarHBondContact O-N 3.11Å; S711-D714 VanDerWaalsContact OG-CG 3.25Å; S711-D714 PolarHBondContact OG-N 3.13Å; S711-D714 PolarHBondContact OG-OD1 3.32Å; S711-D714 PolarHBondContact OG-OD2 2.87Å; D714-N717 PolarHBondContact O-N 2.97Å; D714-A718 VanDerWaalsContact O-CB 3.28Å; D714-A718 WeakPolarHBondContact O-CB 3.37Å; D714-A718 PolarHBondContact O-N 3.06Å; D714-Y737 HydrophobicContact CB-CE2 3.94Å; D714-Y737 WeakPolarHBondContact O-CE2 3.3Å |
| 715 | L | 93.2 | Very high | 88.9 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -62.4 | -43.2 | 172.1 | 176.2 | 60.4 | 0 | 0 | 0 | 111.5 | S711 A718 L719 V734 Y737 L738 L748 A753 I756 | S711-L715 PolarHBondContact O-N 2.94Å; L715-A718 PolarHBondContact O-N 3.1Å; L715-L719 HydrophobicContact CD1-CD1 4.15Å; L715-L719 HydrophobicContact CD1-CG 4.2Å; L715-L719 HydrophobicContact CG-CD1 4.13Å; L715-L719 WeakPolarHBondContact O-CG 3.42Å; L715-L719 PolarHBondContact O-N 2.92Å; L715-V734 HydrophobicContact CD1-CG1 4.02Å; L715-V734 HydrophobicContact CD1-CG2 4.45Å; L715-Y737 HydrophobicContact CB-CD2 3.95Å; L715-Y737 HydrophobicContact CD1-CD2 4.07Å; L715-L738 HydrophobicContact CD1-CD2 4.21Å; L715-L738 HydrophobicContact CD2-CD2 4.14Å; L715-L748 HydrophobicContact CB-CD2 4.29Å; L715-L748 HydrophobicContact CD2-CD2 3.9Å; L715-A753 HydrophobicContact CD2-CB 3.95Å; L715-I756 HydrophobicContact CB-CD1 4.39Å; L715-I756 HydrophobicContact CD2-CB 4.21Å; L715-I756 HydrophobicContact CD2-CD1 4.02Å; L715-I756 HydrophobicContact CD2-CG2 4.12Å; L715-I756 HydrophobicContact CG-CD1 4.48Å; L715-I756 HydrophobicContact CG-CG2 4.04Å |
| 716 | K | 92.2 | Very high | 88.2 | Confident | 100 Ų | 100 | 55.1 Ų | 55.1 | 44% | 0.435 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -59.3 | -48.8 | 175.1 | -174.1 | -172.8 | 168.3 | -169.8 | 0 | 111.4 | P712 N713 A718 L719 E720 I756 | P712-K716 PolarHBondContact O-N 3Å; N713-K716 PolarHBondContact O-N 3.2Å; K716-A718 VanDerWaalsContact C-N 3.31Å; K716-A718 PolarHBondContact O-N 3.34Å; K716-L719 PolarHBondContact O-N 3.1Å; K716-E720 WeakPolarHBondContact CE-OE1 3.18Å; K716-E720 IonicContact NZ-OE1 2.99Å; K716-E720 PolarHBondContact NZ-OE1 2.87Å; K716-E720 WeakPolarHBondContact O-CG 3.09Å; K716-E720 PolarHBondContact O-N 3.06Å; K716-I756 HydrophobicContact CB-CG2 4.28Å |
| 717 | N | 91.5 | Very high | 87.4 | Confident | 70 Ų | 70 | 57.9 Ų | 57.9 | 37% | 0.374 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -63.2 | -36.4 | 178.5 | -67.9 | -22.8 | 0 | 0 | 0 | 112.1 | N713 D714 E720 K721 | N713-N717 VanDerWaalsContact O-CB 3.3Å; N713-N717 WeakPolarHBondContact O-CB 3.3Å; N713-N717 PolarHBondContact O-N 3.3Å; N713-N717 PolarHBondContact O-ND2 3.36Å; N713-N717 VanDerWaalsContact O-ND2 3.14Å; N713-N717 PolarHBondContact O-OD1 3.36Å; D714-N717 PolarHBondContact O-N 2.97Å; N717-E720 PolarHBondContact O-N 2.82Å; N717-K721 VanDerWaalsContact O-CB 3.3Å; N717-K721 WeakPolarHBondContact O-CB 3.4Å; N717-K721 VanDerWaalsContact O-CG 3.26Å; N717-K721 WeakPolarHBondContact O-CG 3.28Å; N717-K721 PolarHBondContact O-N 3.18Å |
| 718 | A | 91.3 | Very high | 86.8 | Confident | 2 Ų | 2 | 59.8 Ų | 59.8 | 2% | 0.017 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -68.4 | -40.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | D714 L715 K716 K721 W722 L733 V734 Y737 | D714-A718 VanDerWaalsContact O-CB 3.28Å; D714-A718 WeakPolarHBondContact O-CB 3.37Å; D714-A718 PolarHBondContact O-N 3.06Å; L715-A718 PolarHBondContact O-N 3.1Å; K716-A718 VanDerWaalsContact C-N 3.31Å; K716-A718 PolarHBondContact O-N 3.34Å; A718-K721 PolarHBondContact O-N 2.79Å; A718-W722 VanDerWaalsContact O-CB 3.29Å; A718-W722 WeakPolarHBondContact O-CB 3.39Å; A718-W722 PolarHBondContact O-N 2.88Å; A718-L733 HydrophobicContact CB-CD2 4Å; A718-L733 HydrophobicContact CB-CG 4.19Å; A718-V734 HydrophobicContact CB-CG2 3.75Å; A718-Y737 HydrophobicContact CB-CD2 4.42Å; A718-Y737 HydrophobicContact CB-CE2 3.94Å |
| 719 | L | 91 | Very high | 86.4 | Confident | 0.333333 Ų | 0.333333 | 64.3 Ų | 64.3 | 0% | 0.002 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -65 | -43.7 | 173.4 | -71.7 | 166.4 | 0 | 0 | 0 | 111.9 | L715 K716 W722 R723 V734 I756 I757 H760 F780 | L715-L719 HydrophobicContact CD1-CD1 4.15Å; L715-L719 HydrophobicContact CD1-CG 4.2Å; L715-L719 HydrophobicContact CG-CD1 4.13Å; L715-L719 WeakPolarHBondContact O-CG 3.42Å; L715-L719 PolarHBondContact O-N 2.92Å; K716-L719 PolarHBondContact O-N 3.1Å; L719-W722 PolarHBondContact O-N 3.32Å; L719-R723 VanDerWaalsContact O-CB 3.32Å; L719-R723 WeakPolarHBondContact O-CB 3.36Å; L719-R723 PolarHBondContact O-N 3.2Å; L719-V734 HydrophobicContact CD2-CG1 4.05Å; L719-V734 HydrophobicContact CD2-CG2 4.03Å; L719-V734 HydrophobicContact CG-CG2 4.23Å; L719-I756 HydrophobicContact CD1-CG2 3.85Å; L719-I757 HydrophobicContact CD1-CG1 4.08Å; L719-H760 HydrophobicContact CD1-CB 4.38Å; L719-F780 HydrophobicContact CD2-CD2 4.48Å; L719-F780 HydrophobicContact CD2-CE2 3.62Å; L719-F780 HydrophobicContact CD2-CZ 3.88Å |
| 720 | E | 88.9 | Confident | 86.4 | Confident | 92 Ų | 92 | 62.3 Ų | 62.3 | 43% | 0.43 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -64.5 | -42 | 175.7 | -72.7 | 177.7 | -179.7 | 0 | 0 | 112 | K716 N717 W722 R723 Y724 | K716-E720 WeakPolarHBondContact CE-OE1 3.18Å; K716-E720 IonicContact NZ-OE1 2.99Å; K716-E720 PolarHBondContact NZ-OE1 2.87Å; K716-E720 WeakPolarHBondContact O-CG 3.09Å; K716-E720 PolarHBondContact O-N 3.06Å; N717-E720 PolarHBondContact O-N 2.82Å; E720-W722 PolarHBondContact O-N 2.84Å; E720-R723 WeakPolarHBondContact O-CB 3.28Å; E720-R723 PolarHBondContact O-N 3.01Å; E720-Y724 PolarHBondContact O-N 3.2Å; E720-Y724 VanDerWaalsContact O-N 3.09Å |
| 721 | K | 87 | Confident | 86.5 | Confident | 120.667 Ų | 120.667 | 62.3 Ų | 62.3 | 53% | 0.525 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -64.8 | -37.9 | 173.4 | -76.4 | 176.5 | 179.4 | -178.7 | 0 | 112.6 | N717 A718 R723 Y724 N725 T730 | N717-K721 VanDerWaalsContact O-CB 3.3Å; N717-K721 WeakPolarHBondContact O-CB 3.4Å; N717-K721 VanDerWaalsContact O-CG 3.26Å; N717-K721 WeakPolarHBondContact O-CG 3.28Å; N717-K721 PolarHBondContact O-N 3.18Å; A718-K721 PolarHBondContact O-N 2.79Å; K721-R723 VanDerWaalsContact C-N 3.34Å; K721-Y724 PolarHBondContact O-N 3Å; K721-N725 VanDerWaalsContact O-CB 3.25Å; K721-N725 WeakPolarHBondContact O-CB 3.32Å; K721-N725 PolarHBondContact O-N 3.14Å; K721-N725 PolarHBondContact O-ND2 3.48Å; K721-N725 VanDerWaalsContact O-ND2 3.08Å; K721-T730 HydrophobicContact CB-CG2 3.79Å |
| 722 | W | 88.7 | Confident | 86.6 | Confident | 0.333333 Ų | 0.333333 | 63.1 Ų | 63.1 | 0% | 0.001 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -66.3 | -42.2 | 174.2 | 167.7 | 77 | 0 | 0 | 0 | 111.4 | A718 L719 E720 Y724 R726 T730 I731 E776 Y779 F780 | A718-W722 VanDerWaalsContact O-CB 3.29Å; A718-W722 WeakPolarHBondContact O-CB 3.39Å; A718-W722 PolarHBondContact O-N 2.88Å; L719-W722 PolarHBondContact O-N 3.32Å; E720-W722 PolarHBondContact O-N 2.84Å; W722-Y724 VanDerWaalsContact C-N 3.29Å; W722-Y724 PolarHBondContact O-N 3.04Å; W722-R726 VanDerWaalsContact CZ3-NH1 3.28Å; W722-R726 VanDerWaalsContact O-CA 3.27Å; W722-R726 WeakPolarHBondContact O-CA 3.31Å; W722-R726 PolarHBondContact O-N 3Å; W722-T730 WeakPolarHBondContact CA-OG1 3.28Å; W722-I731 HydrophobicContact CG-CD1 4.4Å; W722-E776 HydrophobicContact CH2-CG 4.02Å; W722-E776 HydrophobicContact CZ3-CG 4.11Å; W722-E776 WeakPolarHBondContact CZ3-OE1 3.47Å; W722-Y779 HydrophobicContact CH2-CD1 4.21Å; W722-Y779 AromaticContact CZ2-CD1 3.47Å; W722-Y779 HydrophobicContact CZ2-CD1 3.47Å; W722-Y779 VanDerWaalsContact CZ2-CD1 3.42Å; W722-Y779 AromaticContact CZ2-CE1 3.9Å; W722-Y779 HydrophobicContact CZ2-CE1 3.96Å; W722-Y779 HydrophobicContact CZ2-CG 4.31Å; W722-Y779 AromaticContact NE1-CE1 3.95Å; W722-F780 HydrophobicContact CD2-CD2 4.26Å; W722-F780 HydrophobicContact CE3-CD2 4.07Å; W722-F780 VanDerWaalsContact CH2-CA 3.47Å; W722-F780 HydrophobicContact CH2-CB 3.44Å; W722-F780 VanDerWaalsContact CH2-CB 3.47Å; W722-F780 AromaticContact CH2-CD2 3.79Å; W722-F780 HydrophobicContact CH2-CD2 3.79Å; W722-F780 HydrophobicContact CH2-CG 4.07Å; W722-F780 VanDerWaalsContact CZ2-CA 3.45Å; W722-F780 HydrophobicContact CZ2-CB 3.87Å; W722-F780 AromaticContact CZ2-CD2 3.89Å; W722-F780 HydrophobicContact CZ2-CD2 3.94Å; W722-F780 HydrophobicContact CZ2-CG 4.42Å; W722-F780 HydrophobicContact CZ3-CB 4.11Å; W722-F780 AromaticContact CZ3-CD2 3.84Å; W722-F780 HydrophobicContact CZ3-CD2 3.84Å; W722-F780 HydrophobicContact CZ3-CG 4.35Å |
| 723 | R | 83.9 | Confident | 86.7 | Confident | 79.3333 Ų | 79.3333 | 62.3 Ų | 62.3 | 30% | 0.299 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -58.6 | -40.8 | 176.5 | 179.1 | 163.7 | -170.5 | -147.1 | -7.6 | 112.3 | L719 E720 K721 R726 T764 D773 E776 | L719-R723 VanDerWaalsContact O-CB 3.32Å; L719-R723 WeakPolarHBondContact O-CB 3.36Å; L719-R723 PolarHBondContact O-N 3.2Å; E720-R723 WeakPolarHBondContact O-CB 3.28Å; E720-R723 PolarHBondContact O-N 3.01Å; K721-R723 VanDerWaalsContact C-N 3.34Å; R723-R726 PolarHBondContact O-NE 3.21Å; R723-R726 PolarHBondContact O-NH2 3.15Å; R723-T764 VanDerWaalsContact CZ-CG2 3.42Å; R723-T764 PolarHBondContact NH1-OG1 3.25Å; R723-T764 VanDerWaalsContact NH1-OG1 3.08Å; R723-T764 VanDerWaalsContact NH2-CG2 3.35Å; R723-D773 IonicContact CZ-OD2 3.76Å; R723-D773 IonicContact NH2-OD2 3.14Å; R723-D773 PolarHBondContact NH2-OD2 2.78Å; R723-E776 WeakPolarHBondContact CB-OE1 3.2Å; R723-E776 WeakPolarHBondContact CD-OE1 3.46Å; R723-E776 WeakPolarHBondContact CD-OE2 3.31Å; R723-E776 WeakPolarHBondContact CG-OE1 3.4Å; R723-E776 IonicContact CZ-OE1 3.45Å; R723-E776 IonicContact CZ-OE2 3.1Å; R723-E776 IonicContact NE-OE1 3.15Å; R723-E776 PolarHBondContact NE-OE1 2.99Å; R723-E776 IonicContact NE-OE2 3.3Å; R723-E776 PolarHBondContact NE-OE2 3.2Å; R723-E776 IonicContact NH2-OE1 3.67Å; R723-E776 IonicContact NH2-OE2 3.68Å; R723-E776 PolarHBondContact NH2-OE2 3.15Å |
| 724 | Y | 80 | Confident | 86.9 | Confident | 202.333 Ų | 202.333 | 57.2 Ų | 57.2 | 79% | 0.793 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -79.9 | -48.9 | 179 | -171.9 | -103 | 0 | 0 | 0 | 113.5 | E720 K721 W722 | E720-Y724 PolarHBondContact O-N 3.2Å; E720-Y724 VanDerWaalsContact O-N 3.09Å; K721-Y724 PolarHBondContact O-N 3Å; W722-Y724 VanDerWaalsContact C-N 3.29Å; W722-Y724 PolarHBondContact O-N 3.04Å |
| 725 | N | 76.8 | Confident | 86.9 | Confident | 79.3333 Ų | 79.3333 | 54.4 Ų | 54.4 | 42% | 0.424 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -88.6 | -22.3 | -172.1 | -65.3 | -37.4 | 0 | 0 | 0 | 114.5 | K721 N727 | K721-N725 VanDerWaalsContact O-CB 3.25Å; K721-N725 WeakPolarHBondContact O-CB 3.32Å; K721-N725 PolarHBondContact O-N 3.14Å; K721-N725 PolarHBondContact O-ND2 3.48Å; K721-N725 VanDerWaalsContact O-ND2 3.08Å; N725-N727 HydrophobicContact CB-CB 4.29Å; N725-N727 PolarHBondContact O-N 3.35Å |
| 726 | R | 77.2 | Confident | 86.9 | Confident | 71.3333 Ų | 71.3333 | 54.4 Ų | 54.4 | 27% | 0.269 | 25% | 0.252 | S | S | . | . | trans | 49.6 | 16.6 | -172.8 | -60.3 | -94.3 | 175.6 | -156.4 | 1.5 | 115.9 | W722 R723 E776 Y779 N850 | W722-R726 VanDerWaalsContact CZ3-NH1 3.28Å; W722-R726 VanDerWaalsContact O-CA 3.27Å; W722-R726 WeakPolarHBondContact O-CA 3.31Å; W722-R726 PolarHBondContact O-N 3Å; R723-R726 PolarHBondContact O-NE 3.21Å; R723-R726 PolarHBondContact O-NH2 3.15Å; R726-E776 IonicContact CZ-OE1 3.52Å; R726-E776 IonicContact NH1-OE1 2.88Å; R726-E776 PolarHBondContact NH1-OE1 3.01Å; R726-E776 IonicContact NH2-OE1 3.32Å; R726-E776 PolarHBondContact NH2-OE1 3.16Å; R726-E776 IonicContact NH2-OE2 2.72Å; R726-E776 PolarHBondContact NH2-OE2 3.49Å; R726-Y779 HydrophobicContact CB-CE1 4.03Å; R726-Y779 VanDerWaalsContact CD-CE1 3.46Å; R726-Y779 HydrophobicContact CG-CD1 4.32Å; R726-Y779 HydrophobicContact CG-CE1 4.14Å; R726-Y779 PolarHBondContact O-OH 3.16Å; R726-Y779 VanDerWaalsContact O-OH 3.09Å; R726-N850 PolarHBondContact NH1-O 3.44Å | ||
| 727 | N | 75 | Confident | 87 | Confident | 61 Ų | 61 | 50.6 Ų | 50.6 | 33% | 0.326 | 24% | 0.235 | S | C | . | . | trans | -86.8 | 160 | -167.3 | 75.7 | 20.5 | 0 | 0 | 0 | 113.9 | N725 L729 T730 I731 | N725-N727 HydrophobicContact CB-CB 4.29Å; N725-N727 PolarHBondContact O-N 3.35Å; N727-L729 VanDerWaalsContact C-N 3.28Å; N727-L729 PolarHBondContact O-N 3.26Å; N727-L729 PolarHBondContact OD1-N 3.21Å; N727-T730 PolarHBondContact O-N 3.19Å; N727-T730 PolarHBondContact O-OG1 3.07Å; N727-T730 VanDerWaalsContact O-OG1 3.05Å; N727-T730 WeakPolarHBondContact OD1-CB 3.37Å; N727-T730 VanDerWaalsContact OD1-CG2 3.3Å; N727-T730 WeakPolarHBondContact OD1-CG2 3.16Å; N727-T730 PolarHBondContact OD1-N 3.25Å; N727-T730 PolarHBondContact OD1-OG1 3.18Å; N727-I731 PolarHBondContact O-N 2.68Å | ||
| 728 | S | 78.2 | Confident | 87.1 | Confident | 47.6667 Ų | 47.6667 | 47.2 Ų | 47.2 | 33% | 0.333 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -65.8 | -21 | -177.3 | -172.4 | 0 | 0 | 0 | 0 | 114.6 | I731 R732 K787 | S728-I731 WeakPolarHBondContact O-CG2 3.46Å; S728-R732 WeakPolarHBondContact O-CD 3.41Å; S728-R732 WeakPolarHBondContact O-CG 3.31Å; S728-R732 PolarHBondContact O-N 3.25Å; S728-K787 VanDerWaalsContact OG-CD 3.3Å; S728-K787 WeakPolarHBondContact OG-CD 3.29Å; S728-K787 VanDerWaalsContact OG-CE 3.25Å; S728-K787 WeakPolarHBondContact OG-CE 3.42Å; S728-K787 PolarHBondContact OG-NZ 3.23Å; S728-K787 VanDerWaalsContact OG-NZ 3.11Å |
| 729 | L | 81.8 | Confident | 87.2 | Confident | 97.3333 Ų | 97.3333 | 47.3 Ų | 47.3 | 51% | 0.51 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -81.1 | -42.6 | -178.3 | -101.9 | 136 | 0 | 0 | 0 | 111.5 | P642 N727 R732 L733 | P642-L729 HydrophobicContact CB-CD1 4.11Å; P642-L729 HydrophobicContact CB-CD2 4.01Å; P642-L729 HydrophobicContact CG-CD2 4.43Å; N727-L729 VanDerWaalsContact C-N 3.28Å; N727-L729 PolarHBondContact O-N 3.26Å; N727-L729 PolarHBondContact OD1-N 3.21Å; L729-R732 PolarHBondContact O-N 3Å; L729-L733 PolarHBondContact O-N 2.92Å; L729-L733 VanDerWaalsContact O-N 3.08Å |
| 730 | T | 87.7 | Confident | 87.2 | Confident | 12 Ų | 12 | 47.3 Ų | 47.3 | 7% | 0.074 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -66.2 | -39.9 | -180 | 51 | 0 | 0 | 0 | 0 | 112.3 | K721 W722 N727 R732 L733 V734 | K721-T730 HydrophobicContact CB-CG2 3.79Å; W722-T730 WeakPolarHBondContact CA-OG1 3.28Å; N727-T730 PolarHBondContact O-N 3.19Å; N727-T730 PolarHBondContact O-OG1 3.07Å; N727-T730 VanDerWaalsContact O-OG1 3.05Å; N727-T730 WeakPolarHBondContact OD1-CB 3.37Å; N727-T730 VanDerWaalsContact OD1-CG2 3.3Å; N727-T730 WeakPolarHBondContact OD1-CG2 3.16Å; N727-T730 PolarHBondContact OD1-N 3.25Å; N727-T730 PolarHBondContact OD1-OG1 3.18Å; T730-R732 VanDerWaalsContact C-N 3.31Å; T730-R732 PolarHBondContact O-N 3.24Å; T730-L733 WeakPolarHBondContact O-CB 3.34Å; T730-L733 PolarHBondContact O-N 3.36Å; T730-V734 WeakPolarHBondContact O-CG2 3.37Å; T730-V734 PolarHBondContact O-N 3.29Å |
| 731 | I | 91.1 | Very high | 87.3 | Confident | 3.33333 Ų | 3.33333 | 43 Ų | 43 | 2% | 0.017 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -69 | -32.5 | 175 | -167.6 | 69.4 | 0 | 0 | 0 | 112.6 | W722 N727 S728 L733 V734 G735 F780 L784 K787 | W722-I731 HydrophobicContact CG-CD1 4.4Å; N727-I731 PolarHBondContact O-N 2.68Å; S728-I731 WeakPolarHBondContact O-CG2 3.46Å; I731-L733 VanDerWaalsContact C-N 3.34Å; I731-V734 HydrophobicContact CD1-CB 4.48Å; I731-V734 PolarHBondContact O-N 3.1Å; I731-G735 PolarHBondContact O-N 3.05Å; I731-F780 HydrophobicContact CD1-CD2 3.98Å; I731-F780 HydrophobicContact CD1-CE2 3.85Å; I731-L784 HydrophobicContact CD1-CD2 3.76Å; I731-L784 HydrophobicContact CD1-CG 4.09Å; I731-L784 HydrophobicContact CG1-CD2 4.14Å; I731-K787 HydrophobicContact CG2-CB 4.03Å; I731-K787 HydrophobicContact CG2-CG 3.75Å |
| 732 | R | 90.3 | Very high | 87.5 | Confident | 59.6667 Ų | 59.6667 | 37.9 Ų | 37.9 | 23% | 0.225 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -66.5 | -36.7 | 172.4 | -78.1 | 179.8 | 146.8 | -169.3 | -1.4 | 112 | S643 L644 M645 S728 L729 T730 G735 D736 K787 | S643-R732 WeakPolarHBondContact O-CB 3.35Å; S643-R732 PolarHBondContact O-NE 3.26Å; S643-R732 PolarHBondContact O-NH1 3.02Å; S643-R732 PolarHBondContact O-NH2 2.89Å; L644-R732 HydrophobicContact CB-CB 4.26Å; L644-R732 HydrophobicContact CB-CG 4.16Å; L644-R732 HydrophobicContact CD1-CB 4.39Å; L644-R732 WeakPolarHBondContact CD1-O 3.42Å; L644-R732 PolarHBondContact O-NH2 3.5Å; M645-R732 VanDerWaalsContact CG-NH1 3.27Å; S728-R732 WeakPolarHBondContact O-CD 3.41Å; S728-R732 WeakPolarHBondContact O-CG 3.31Å; S728-R732 PolarHBondContact O-N 3.25Å; L729-R732 PolarHBondContact O-N 3Å; T730-R732 VanDerWaalsContact C-N 3.31Å; T730-R732 PolarHBondContact O-N 3.24Å; R732-G735 PolarHBondContact O-N 2.93Å; R732-D736 WeakPolarHBondContact O-CB 3.39Å; R732-D736 PolarHBondContact O-N 3.06Å; R732-K787 HydrophobicContact CG-CB 4.31Å |
| 733 | L | 91.9 | Very high | 87.5 | Confident | 44.3333 Ų | 44.3333 | 40.8 Ų | 40.8 | 23% | 0.232 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -65 | -41.2 | 173.2 | -173.4 | 65.3 | 0 | 0 | 0 | 112.1 | S643 A718 L729 T730 I731 D736 Y737 | S643-L733 VanDerWaalsContact OG-CD1 3.25Å; S643-L733 WeakPolarHBondContact OG-CD1 3.32Å; A718-L733 HydrophobicContact CB-CD2 4Å; A718-L733 HydrophobicContact CB-CG 4.19Å; L729-L733 PolarHBondContact O-N 2.92Å; L729-L733 VanDerWaalsContact O-N 3.08Å; T730-L733 WeakPolarHBondContact O-CB 3.34Å; T730-L733 PolarHBondContact O-N 3.36Å; I731-L733 VanDerWaalsContact C-N 3.34Å; L733-D736 WeakPolarHBondContact O-CB 3.34Å; L733-D736 PolarHBondContact O-N 3.21Å; L733-Y737 HydrophobicContact CD1-CE1 3.84Å; L733-Y737 HydrophobicContact CD1-CE2 4.3Å; L733-Y737 WeakPolarHBondContact CD1-OH 3.41Å; L733-Y737 HydrophobicContact CD2-CE2 4.47Å; L733-Y737 HydrophobicContact CG-CE1 4.36Å; L733-Y737 HydrophobicContact CG-CE2 3.96Å; L733-Y737 WeakPolarHBondContact O-CD2 3.35Å; L733-Y737 PolarHBondContact O-N 3.2Å |
| 734 | V | 93.9 | Very high | 87.7 | Confident | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -60.6 | -48.9 | 170.2 | 173.7 | 0 | 0 | 0 | 0 | 110.1 | L715 A718 L719 T730 I731 D736 Y737 L738 F780 | L715-V734 HydrophobicContact CD1-CG1 4.02Å; L715-V734 HydrophobicContact CD1-CG2 4.45Å; A718-V734 HydrophobicContact CB-CG2 3.75Å; L719-V734 HydrophobicContact CD2-CG1 4.05Å; L719-V734 HydrophobicContact CD2-CG2 4.03Å; L719-V734 HydrophobicContact CG-CG2 4.23Å; T730-V734 WeakPolarHBondContact O-CG2 3.37Å; T730-V734 PolarHBondContact O-N 3.29Å; I731-V734 HydrophobicContact CD1-CB 4.48Å; I731-V734 PolarHBondContact O-N 3.1Å; V734-D736 VanDerWaalsContact C-N 3.33Å; V734-D736 PolarHBondContact O-N 2.82Å; V734-Y737 PolarHBondContact O-N 3.2Å; V734-Y737 VanDerWaalsContact O-N 3.15Å; V734-L738 HydrophobicContact CG1-CD1 4.18Å; V734-L738 HydrophobicContact CG1-CG 4.2Å; V734-L738 WeakPolarHBondContact O-CG 3.35Å; V734-L738 PolarHBondContact O-N 3.35Å; V734-F780 HydrophobicContact CG1-CE2 4.08Å; V734-F780 HydrophobicContact CG1-CZ 4.15Å |
| 735 | G | 92.4 | Very high | 87.8 | Confident | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -56.7 | -41.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | I731 R732 L738 I739 | I731-G735 PolarHBondContact O-N 3.05Å; R732-G735 PolarHBondContact O-N 2.93Å; G735-L738 PolarHBondContact O-N 2.99Å; G735-I739 VanDerWaalsContact O-CB 3.32Å; G735-I739 WeakPolarHBondContact O-CB 3.38Å; G735-I739 VanDerWaalsContact O-CG1 3.28Å; G735-I739 WeakPolarHBondContact O-CG1 3.42Å; G735-I739 PolarHBondContact O-N 2.9Å |
| 736 | D | 93.4 | Very high | 88 | Confident | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -53.6 | -54.6 | 172.5 | 165.7 | -0.3 | 0 | 0 | 0 | 111.1 | S643 L644 R705 L706 T707 R732 L733 V734 L738 I739 G740 | S643-D736 VanDerWaalsContact CB-OD2 3.29Å; S643-D736 WeakPolarHBondContact CB-OD2 3.32Å; S643-D736 PolarHBondContact OG-OD2 3.06Å; L644-D736 HydrophobicContact CD2-CB 4.42Å; L644-D736 HydrophobicContact CG-CB 4.21Å; R705-D736 IonicContact NH1-OD2 3.27Å; R705-D736 PolarHBondContact NH1-OD2 3.04Å; L706-D736 WeakPolarHBondContact CA-OD1 3.41Å; L706-D736 HydrophobicContact CD2-CB 3.94Å; L706-D736 WeakPolarHBondContact CD2-OD1 3.32Å; T707-D736 VanDerWaalsContact N-CG 3.32Å; T707-D736 PolarHBondContact N-OD1 3.42Å; T707-D736 PolarHBondContact N-OD2 3.14Å; T707-D736 VanDerWaalsContact N-OD2 3.14Å; T707-D736 PolarHBondContact OG1-OD2 3.16Å; R732-D736 WeakPolarHBondContact O-CB 3.39Å; R732-D736 PolarHBondContact O-N 3.06Å; L733-D736 WeakPolarHBondContact O-CB 3.34Å; L733-D736 PolarHBondContact O-N 3.21Å; V734-D736 VanDerWaalsContact C-N 3.33Å; V734-D736 PolarHBondContact O-N 2.82Å; D736-L738 VanDerWaalsContact C-N 3.32Å; D736-L738 PolarHBondContact O-N 3.15Å; D736-I739 PolarHBondContact O-N 3.04Å; D736-G740 PolarHBondContact O-N 3.06Å |
| 737 | Y | 94.9 | Very high | 88.2 | Confident | 18.6667 Ų | 18.6667 | 38.7 Ų | 38.7 | 7% | 0.073 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -63.4 | -36.6 | -179.7 | -55.6 | -21.9 | 0 | 0 | 0 | 112.8 | T707 P710 D714 L715 A718 L733 V734 S741 | T707-Y737 HydrophobicContact CG2-CE1 4.13Å; P710-Y737 HydrophobicContact CB-CD1 3.46Å; P710-Y737 VanDerWaalsContact CB-CD1 3.46Å; P710-Y737 HydrophobicContact CB-CE1 3.59Å; P710-Y737 HydrophobicContact CB-CG 3.99Å; P710-Y737 HydrophobicContact CG-CD1 3.94Å; P710-Y737 HydrophobicContact CG-CE1 4.43Å; P710-Y737 HydrophobicContact CG-CG 4.48Å; D714-Y737 HydrophobicContact CB-CE2 3.94Å; D714-Y737 WeakPolarHBondContact O-CE2 3.3Å; L715-Y737 HydrophobicContact CB-CD2 3.95Å; L715-Y737 HydrophobicContact CD1-CD2 4.07Å; A718-Y737 HydrophobicContact CB-CD2 4.42Å; A718-Y737 HydrophobicContact CB-CE2 3.94Å; L733-Y737 HydrophobicContact CD1-CE1 3.84Å; L733-Y737 HydrophobicContact CD1-CE2 4.3Å; L733-Y737 WeakPolarHBondContact CD1-OH 3.41Å; L733-Y737 HydrophobicContact CD2-CE2 4.47Å; L733-Y737 HydrophobicContact CG-CE1 4.36Å; L733-Y737 HydrophobicContact CG-CE2 3.96Å; L733-Y737 WeakPolarHBondContact O-CD2 3.35Å; L733-Y737 PolarHBondContact O-N 3.2Å; V734-Y737 PolarHBondContact O-N 3.2Å; V734-Y737 VanDerWaalsContact O-N 3.15Å; Y737-S741 WeakPolarHBondContact O-CB 3.32Å; Y737-S741 PolarHBondContact O-N 3.01Å |
| 738 | L | 94.8 | Very high | 88.8 | Confident | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -70.1 | -43.6 | 177.5 | -59.9 | -165.6 | 0 | 0 | 0 | 111.9 | L715 V734 G735 D736 S741 V742 A753 I757 V796 I800 I801 | L715-L738 HydrophobicContact CD1-CD2 4.21Å; L715-L738 HydrophobicContact CD2-CD2 4.14Å; V734-L738 HydrophobicContact CG1-CD1 4.18Å; V734-L738 HydrophobicContact CG1-CG 4.2Å; V734-L738 WeakPolarHBondContact O-CG 3.35Å; V734-L738 PolarHBondContact O-N 3.35Å; G735-L738 PolarHBondContact O-N 2.99Å; D736-L738 VanDerWaalsContact C-N 3.32Å; D736-L738 PolarHBondContact O-N 3.15Å; L738-S741 PolarHBondContact O-N 2.98Å; L738-V742 WeakPolarHBondContact O-CB 3.35Å; L738-V742 VanDerWaalsContact O-CG2 3.3Å; L738-V742 WeakPolarHBondContact O-CG2 3.4Å; L738-V742 PolarHBondContact O-N 3.31Å; L738-A753 HydrophobicContact CD2-CB 4.17Å; L738-I757 HydrophobicContact CD1-CD1 4.09Å; L738-I757 HydrophobicContact CD2-CD1 3.92Å; L738-V796 HydrophobicContact CB-CG1 4.04Å; L738-V796 HydrophobicContact CD1-CG1 4.01Å; L738-I800 HydrophobicContact CB-CD1 4.23Å; L738-I800 HydrophobicContact CD1-CG2 4.38Å; L738-I800 HydrophobicContact CD2-CD1 4.06Å; L738-I800 HydrophobicContact CD2-CG2 4.23Å; L738-I801 HydrophobicContact CD1-CD1 3.79Å |
| 739 | I | 93 | Very high | 89.4 | Confident | 4 Ų | 4 | 40.2 Ų | 40.2 | 2% | 0.021 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -62.8 | -51.5 | 176.7 | -74.1 | 165.7 | 0 | 0 | 0 | 109.9 | L644 L706 G735 D736 S741 V742 I743 L788 P789 L792 V796 | L644-I739 HydrophobicContact CD1-CD1 4.09Å; L644-I739 HydrophobicContact CD2-CD1 3.8Å; L706-I739 HydrophobicContact CD1-CG2 3.97Å; L706-I739 HydrophobicContact CD2-CB 4.39Å; L706-I739 HydrophobicContact CD2-CG2 4.15Å; G735-I739 VanDerWaalsContact O-CB 3.32Å; G735-I739 WeakPolarHBondContact O-CB 3.38Å; G735-I739 VanDerWaalsContact O-CG1 3.28Å; G735-I739 WeakPolarHBondContact O-CG1 3.42Å; G735-I739 PolarHBondContact O-N 2.9Å; D736-I739 PolarHBondContact O-N 3.04Å; I739-S741 PolarHBondContact O-N 3.19Å; I739-V742 PolarHBondContact O-N 3.08Å; I739-V742 VanDerWaalsContact O-N 3.13Å; I739-I743 HydrophobicContact CG2-CD1 4.05Å; I739-I743 HydrophobicContact CG2-CG2 4.45Å; I739-I743 WeakPolarHBondContact O-CD1 3.41Å; I739-I743 VanDerWaalsContact O-CG1 3.24Å; I739-I743 WeakPolarHBondContact O-CG1 3.27Å; I739-I743 PolarHBondContact O-N 3.35Å; I739-I743 VanDerWaalsContact O-N 3.08Å; I739-L788 HydrophobicContact CD1-CD2 4.34Å; I739-L788 HydrophobicContact CD1-CG 4.19Å; I739-L788 HydrophobicContact CG1-CD2 4.47Å; I739-P789 HydrophobicContact CD1-CG 4.47Å; I739-L792 HydrophobicContact CD1-CB 4.49Å; I739-L792 HydrophobicContact CD1-CD1 3.91Å; I739-L792 HydrophobicContact CG1-CB 4.46Å; I739-L792 HydrophobicContact CG1-CD1 4.13Å; I739-L792 HydrophobicContact CG2-CD1 3.83Å; I739-V796 HydrophobicContact CG1-CG2 3.83Å |
| 740 | G | 90.4 | Very high | 89.8 | Confident | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -58.3 | -32.6 | 178 | 0 | 0 | 0 | 0 | 0 | 113.3 | D736 K744 A745 S746 | D736-G740 PolarHBondContact O-N 3.06Å; G740-K744 PolarHBondContact O-N 3.16Å; G740-A745 PolarHBondContact O-N 2.99Å; G740-A745 VanDerWaalsContact O-N 3.11Å; G740-S746 WeakPolarHBondContact O-CB 3.42Å; G740-S746 PolarHBondContact O-N 2.96Å; G740-S746 PolarHBondContact O-OG 3.24Å; G740-S746 VanDerWaalsContact O-OG 3.11Å |
| 741 | S | 91.7 | Very high | 90 | Very high | 2.33333 Ų | 2.33333 | 43.2 Ų | 43.2 | 2% | 0.016 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -72.4 | -46.7 | 174.8 | -168.1 | 0 | 0 | 0 | 0 | 112.5 | Y737 L738 I739 I743 K744 S746 L748 K749 I750 | Y737-S741 WeakPolarHBondContact O-CB 3.32Å; Y737-S741 PolarHBondContact O-N 3.01Å; L738-S741 PolarHBondContact O-N 2.98Å; I739-S741 PolarHBondContact O-N 3.19Å; S741-I743 PolarHBondContact O-N 3.02Å; S741-K744 PolarHBondContact O-N 3.35Å; S741-K744 VanDerWaalsContact O-N 3.15Å; S741-S746 PolarHBondContact N-OG 3.08Å; S741-L748 WeakPolarHBondContact CA-O 3.38Å; S741-L748 VanDerWaalsContact CB-O 3.27Å; S741-L748 WeakPolarHBondContact CB-O 3.45Å; S741-L748 PolarHBondContact OG-O 3.14Å; S741-K749 PolarHBondContact OG-O 3.18Å; S741-I750 WeakPolarHBondContact OG-CA 3.18Å; S741-I750 PolarHBondContact OG-N 3.24Å; S741-I750 VanDerWaalsContact OG-N 3.11Å |
| 742 | V | 91 | Very high | 90.1 | Very high | 12.6667 Ų | 12.6667 | 46.2 Ų | 46.2 | 8% | 0.077 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -64.9 | -42.9 | -178 | 165.3 | 0 | 0 | 0 | 0 | 112.5 | L738 I739 K744 L795 V796 L799 I800 | L738-V742 WeakPolarHBondContact O-CB 3.35Å; L738-V742 VanDerWaalsContact O-CG2 3.3Å; L738-V742 WeakPolarHBondContact O-CG2 3.4Å; L738-V742 PolarHBondContact O-N 3.31Å; I739-V742 PolarHBondContact O-N 3.08Å; I739-V742 VanDerWaalsContact O-N 3.13Å; V742-K744 PolarHBondContact O-N 3.44Å; V742-L795 HydrophobicContact CG1-CB 3.96Å; V742-L795 HydrophobicContact CG1-CD2 3.89Å; V742-L795 HydrophobicContact CG1-CG 4.45Å; V742-V796 HydrophobicContact CG2-CG2 4.45Å; V742-L799 HydrophobicContact CG1-CD1 3.69Å; V742-L799 HydrophobicContact CG2-CB 4.2Å; V742-L799 HydrophobicContact CG2-CD1 4.42Å; V742-I800 HydrophobicContact CG2-CD1 3.6Å; V742-I800 HydrophobicContact CG2-CG1 3.93Å |
| 743 | I | 88.8 | Confident | 90.3 | Very high | 61.6667 Ų | 61.6667 | 43.4 Ų | 43.4 | 32% | 0.316 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.6 | 0.6 | 177.9 | 72.4 | -166.5 | 0 | 0 | 0 | 113.1 | I687 L706 I739 S741 A745 | I687-I743 HydrophobicContact CD1-CD1 3.37Å; I687-I743 HydrophobicContact CD1-CG1 4.39Å; L706-I743 HydrophobicContact CD1-CD1 3.97Å; I739-I743 HydrophobicContact CG2-CD1 4.05Å; I739-I743 HydrophobicContact CG2-CG2 4.45Å; I739-I743 WeakPolarHBondContact O-CD1 3.41Å; I739-I743 VanDerWaalsContact O-CG1 3.24Å; I739-I743 WeakPolarHBondContact O-CG1 3.27Å; I739-I743 PolarHBondContact O-N 3.35Å; I739-I743 VanDerWaalsContact O-N 3.08Å; S741-I743 PolarHBondContact O-N 3.02Å; I743-A745 HydrophobicContact CD1-CB 3.99Å; I743-A745 HydrophobicContact CG1-CB 3.71Å; I743-A745 PolarHBondContact O-N 3.06Å |
| 744 | K | 86.6 | Confident | 90.3 | Very high | 161.333 Ų | 161.333 | 41.8 Ų | 41.8 | 70% | 0.701 | 20% | 0.202 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 58.6 | 23.6 | -179.1 | -52.6 | 176.9 | -178.1 | 175.3 | 0 | 114.9 | G740 S741 V742 F923 | G740-K744 PolarHBondContact O-N 3.16Å; S741-K744 PolarHBondContact O-N 3.35Å; S741-K744 VanDerWaalsContact O-N 3.15Å; V742-K744 PolarHBondContact O-N 3.44Å; K744-F923 HydrophobicContact CD-CE1 4.41Å; K744-F923 HydrophobicContact CD-CE2 4.17Å; K744-F923 HydrophobicContact CD-CZ 3.73Å |
| 745 | A | 83 | Confident | 90.3 | Very high | 47 Ų | 47 | 44.8 Ų | 44.8 | 39% | 0.388 | 22% | 0.222 | S | C | . | . | trans | -91.6 | -18.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113 | L685 G740 I743 | L685-A745 HydrophobicContact CD2-CB 3.54Å; L685-A745 VanDerWaalsContact CD2-CB 3.41Å; G740-A745 PolarHBondContact O-N 2.99Å; G740-A745 VanDerWaalsContact O-N 3.11Å; I743-A745 HydrophobicContact CD1-CB 3.99Å; I743-A745 HydrophobicContact CG1-CB 3.71Å; I743-A745 PolarHBondContact O-N 3.06Å | ||
| 746 | S | 81.8 | Confident | 90.4 | Very high | 14 Ų | 14 | 46 Ų | 46 | 10% | 0.098 | 23% | 0.229 | C | C | . | . | S | Bend | trans | -99.4 | 159.4 | 173.5 | 84.7 | 0 | 0 | 0 | 0 | 112.2 | A708 G740 S741 L748 | A708-S746 VanDerWaalsContact O-CA 3.25Å; A708-S746 WeakPolarHBondContact O-CA 3.33Å; G740-S746 WeakPolarHBondContact O-CB 3.42Å; G740-S746 PolarHBondContact O-N 2.96Å; G740-S746 PolarHBondContact O-OG 3.24Å; G740-S746 VanDerWaalsContact O-OG 3.11Å; S741-S746 PolarHBondContact N-OG 3.08Å; S746-L748 VanDerWaalsContact C-N 3.27Å; S746-L748 PolarHBondContact O-N 3.2Å; S746-L748 PolarHBondContact OG-N 3.25Å |
| 747 | R | 80.1 | Confident | 90.3 | Very high | 165.667 Ų | 165.667 | 46.1 Ų | 46.1 | 63% | 0.625 | 23% | 0.229 | S | C | * | . | S | Bend | trans | -70.2 | -16.2 | 176.6 | -63.8 | -171.6 | -170.9 | -162 | 3.6 | 114.4 | D680 A708 H709 K749 | D680-R747 IonicContact OD1-NH2 2.88Å; D680-R747 PolarHBondContact OD1-NH2 3.43Å; A708-R747 PolarHBondContact O-N 3.45Å; H709-R747 PolarHBondContact CE1-NE 3.02Å; H709-R747 VanDerWaalsContact CE1-NE 3.28Å; H709-R747 PolarHBondContact CE1-NH2 3.27Å; H709-R747 PolarHBondContact ND1-NE 3.11Å; H709-R747 PolarHBondContact NE2-NH2 2.98Å; R747-K749 PolarHBondContact O-N 3.21Å |
| 748 | L | 87.6 | Confident | 90.2 | Very high | 3 Ų | 3 | 46 Ų | 46 | 2% | 0.016 | 23% | 0.231 | C | C | . | . | S | Bend | trans | -76.6 | 122.5 | 179.6 | -178.3 | 68.5 | 0 | 0 | 0 | 110.5 | P710 P712 L715 S741 S746 E752 A753 I756 | P710-L748 HydrophobicContact CG-CB 4.2Å; P712-L748 HydrophobicContact CB-CD1 4.4Å; P712-L748 HydrophobicContact CG-CD1 4.08Å; L715-L748 HydrophobicContact CB-CD2 4.29Å; L715-L748 HydrophobicContact CD2-CD2 3.9Å; S741-L748 WeakPolarHBondContact CA-O 3.38Å; S741-L748 VanDerWaalsContact CB-O 3.27Å; S741-L748 WeakPolarHBondContact CB-O 3.45Å; S741-L748 PolarHBondContact OG-O 3.14Å; S746-L748 VanDerWaalsContact C-N 3.27Å; S746-L748 PolarHBondContact O-N 3.2Å; S746-L748 PolarHBondContact OG-N 3.25Å; L748-E752 HydrophobicContact CD1-CB 3.96Å; L748-A753 HydrophobicContact CD2-CB 4.22Å; L748-A753 HydrophobicContact CG-CB 4.47Å; L748-I756 HydrophobicContact CD1-CD1 4.41Å |
| 749 | K | 90.6 | Very high | 90 | Very high | 136.333 Ų | 136.333 | 50.2 Ų | 50.2 | 59% | 0.593 | 25% | 0.253 | S | S | * | . | trans | -85 | 150 | -178.1 | -60.8 | 173 | -173 | 162.4 | 0 | 111.8 | S741 R747 N751 E752 A753 | S741-K749 PolarHBondContact OG-O 3.18Å; R747-K749 PolarHBondContact O-N 3.21Å; K749-N751 VanDerWaalsContact C-N 3.27Å; K749-N751 PolarHBondContact O-N 3.13Å; K749-E752 HydrophobicContact CB-CB 4.5Å; K749-E752 HydrophobicContact CB-CG 4.12Å; K749-E752 WeakPolarHBondContact CB-OE2 3.38Å; K749-E752 PolarHBondContact N-OE2 3.29Å; K749-E752 IonicContact NZ-OE1 3.34Å; K749-E752 WeakPolarHBondContact O-CA 3.44Å; K749-E752 WeakPolarHBondContact O-CB 3.4Å; K749-E752 PolarHBondContact O-N 3.15Å; K749-A753 PolarHBondContact O-N 2.8Å | ||
| 750 | I | 92 | Very high | 89.8 | Confident | 36.3333 Ų | 36.3333 | 50.8 Ų | 50.8 | 19% | 0.186 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -51.2 | -47.1 | 178.5 | -63.8 | 173.1 | 0 | 0 | 0 | 111 | S741 E752 A753 C754 L799 I800 | S741-I750 WeakPolarHBondContact OG-CA 3.18Å; S741-I750 PolarHBondContact OG-N 3.24Å; S741-I750 VanDerWaalsContact OG-N 3.11Å; I750-E752 VanDerWaalsContact C-N 3.3Å; I750-E752 PolarHBondContact O-N 3.26Å; I750-A753 PolarHBondContact O-N 3.19Å; I750-C754 WeakPolarHBondContact O-CB 3.34Å; I750-C754 PolarHBondContact O-N 3.2Å; I750-C754 PolarHBondContact O-SG 3.28Å; I750-L799 HydrophobicContact CD1-CD1 4.43Å; I750-L799 HydrophobicContact CG2-CB 4.45Å; I750-L799 WeakPolarHBondContact CG2-O 3.32Å; I750-I800 HydrophobicContact CG2-CG1 4.03Å |
| 751 | N | 91.9 | Very high | 89.7 | Confident | 136 Ų | 136 | 51 Ų | 51 | 73% | 0.727 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -62.7 | -33.3 | 179.2 | -63.4 | -0.4 | 0 | 0 | 0 | 113.4 | K749 S755 | K749-N751 VanDerWaalsContact C-N 3.27Å; K749-N751 PolarHBondContact O-N 3.13Å; N751-S755 WeakPolarHBondContact O-CB 3.47Å; N751-S755 PolarHBondContact O-N 3.04Å |
| 752 | E | 92.5 | Very high | 89.2 | Confident | 68 Ų | 68 | 52.9 Ų | 52.9 | 32% | 0.318 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -71.8 | -46.3 | 177.5 | -64.6 | 164.3 | 169.1 | 0 | 0 | 109.7 | L748 K749 I750 C754 S755 I756 | L748-E752 HydrophobicContact CD1-CB 3.96Å; K749-E752 HydrophobicContact CB-CB 4.5Å; K749-E752 HydrophobicContact CB-CG 4.12Å; K749-E752 WeakPolarHBondContact CB-OE2 3.38Å; K749-E752 PolarHBondContact N-OE2 3.29Å; K749-E752 IonicContact NZ-OE1 3.34Å; K749-E752 WeakPolarHBondContact O-CA 3.44Å; K749-E752 WeakPolarHBondContact O-CB 3.4Å; K749-E752 PolarHBondContact O-N 3.15Å; I750-E752 VanDerWaalsContact C-N 3.3Å; I750-E752 PolarHBondContact O-N 3.26Å; E752-C754 VanDerWaalsContact C-N 3.34Å; E752-C754 PolarHBondContact O-N 3.2Å; E752-S755 PolarHBondContact O-N 3.43Å; E752-I756 WeakPolarHBondContact O-CD1 3.4Å; E752-I756 VanDerWaalsContact O-CG1 3.25Å; E752-I756 WeakPolarHBondContact O-CG1 3.22Å; E752-I756 PolarHBondContact O-N 3.1Å |
| 753 | A | 93.3 | Very high | 88.3 | Confident | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -59 | -45 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112 | L715 L738 L748 K749 I750 S755 I756 I757 I800 | L715-A753 HydrophobicContact CD2-CB 3.95Å; L738-A753 HydrophobicContact CD2-CB 4.17Å; L748-A753 HydrophobicContact CD2-CB 4.22Å; L748-A753 HydrophobicContact CG-CB 4.47Å; K749-A753 PolarHBondContact O-N 2.8Å; I750-A753 PolarHBondContact O-N 3.19Å; A753-S755 PolarHBondContact O-N 2.98Å; A753-I756 PolarHBondContact O-N 3.26Å; A753-I757 WeakPolarHBondContact O-CG1 3.25Å; A753-I757 PolarHBondContact O-N 2.74Å; A753-I800 HydrophobicContact CB-CD1 3.97Å |
| 754 | C | 93.7 | Very high | 87 | Confident | 11.3333 Ų | 11.3333 | 52.7 Ų | 52.7 | 8% | 0.077 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -60.2 | -44.9 | 175.2 | -68.1 | 0 | 0 | 0 | 0 | 112.3 | I750 E752 I756 I757 T758 S804 | I750-C754 WeakPolarHBondContact O-CB 3.34Å; I750-C754 PolarHBondContact O-N 3.2Å; I750-C754 PolarHBondContact O-SG 3.28Å; E752-C754 VanDerWaalsContact C-N 3.34Å; E752-C754 PolarHBondContact O-N 3.2Å; C754-I756 VanDerWaalsContact C-N 3.35Å; C754-I756 PolarHBondContact O-N 2.94Å; C754-I757 PolarHBondContact O-N 3.08Å; C754-T758 VanDerWaalsContact O-CB 3.27Å; C754-T758 WeakPolarHBondContact O-CB 3.32Å; C754-T758 PolarHBondContact O-N 3.25Å; C754-T758 PolarHBondContact O-OG1 3.08Å; C754-S804 VanDerWaalsContact CA-OG 3.28Å; C754-S804 WeakPolarHBondContact CA-OG 3.38Å; C754-S804 PolarHBondContact O-OG 3.19Å |
| 755 | S | 92.9 | Very high | 85.7 | Confident | 62 Ų | 62 | 48.5 Ų | 48.5 | 43% | 0.434 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -63.1 | -41.7 | 177.9 | -174.3 | 0 | 0 | 0 | 0 | 111.8 | N751 E752 A753 T758 N759 | N751-S755 WeakPolarHBondContact O-CB 3.47Å; N751-S755 PolarHBondContact O-N 3.04Å; E752-S755 PolarHBondContact O-N 3.43Å; A753-S755 PolarHBondContact O-N 2.98Å; S755-T758 PolarHBondContact O-N 3.4Å; S755-N759 VanDerWaalsContact O-CB 3.3Å; S755-N759 WeakPolarHBondContact O-CB 3.45Å; S755-N759 VanDerWaalsContact O-CG 3.22Å; S755-N759 PolarHBondContact O-N 3.24Å; S755-N759 PolarHBondContact O-ND2 3.04Å; S755-N759 PolarHBondContact OG-ND2 3.17Å |
| 756 | I | 93.7 | Very high | 84.6 | Confident | 26.6667 Ų | 26.6667 | 51.7 Ų | 51.7 | 14% | 0.137 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -63.9 | -46.6 | 178.3 | -67.4 | 158.7 | 0 | 0 | 0 | 111.2 | P712 L715 K716 L719 L748 E752 A753 C754 N759 H760 | P712-I756 HydrophobicContact CB-CD1 3.91Å; P712-I756 VanDerWaalsContact O-CD1 3.3Å; P712-I756 WeakPolarHBondContact O-CD1 3.3Å; L715-I756 HydrophobicContact CB-CD1 4.39Å; L715-I756 HydrophobicContact CD2-CB 4.21Å; L715-I756 HydrophobicContact CD2-CD1 4.02Å; L715-I756 HydrophobicContact CD2-CG2 4.12Å; L715-I756 HydrophobicContact CG-CD1 4.48Å; L715-I756 HydrophobicContact CG-CG2 4.04Å; K716-I756 HydrophobicContact CB-CG2 4.28Å; L719-I756 HydrophobicContact CD1-CG2 3.85Å; L748-I756 HydrophobicContact CD1-CD1 4.41Å; E752-I756 WeakPolarHBondContact O-CD1 3.4Å; E752-I756 VanDerWaalsContact O-CG1 3.25Å; E752-I756 WeakPolarHBondContact O-CG1 3.22Å; E752-I756 PolarHBondContact O-N 3.1Å; A753-I756 PolarHBondContact O-N 3.26Å; C754-I756 VanDerWaalsContact C-N 3.35Å; C754-I756 PolarHBondContact O-N 2.94Å; I756-N759 PolarHBondContact O-N 3.03Å; I756-H760 WeakPolarHBondContact O-CB 3.41Å; I756-H760 PolarHBondContact O-N 3.11Å |
| 757 | I | 93.1 | Very high | 83.4 | Confident | 1 Ų | 1 | 57.5 Ų | 57.5 | 1% | 0.005 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -66.5 | -43.1 | 179.1 | -68.2 | 171.4 | 0 | 0 | 0 | 110.9 | L719 L738 A753 C754 N759 H760 F761 F780 I800 I801 S804 | L719-I757 HydrophobicContact CD1-CG1 4.08Å; L738-I757 HydrophobicContact CD1-CD1 4.09Å; L738-I757 HydrophobicContact CD2-CD1 3.92Å; A753-I757 WeakPolarHBondContact O-CG1 3.25Å; A753-I757 PolarHBondContact O-N 2.74Å; C754-I757 PolarHBondContact O-N 3.08Å; I757-N759 VanDerWaalsContact C-N 3.33Å; I757-N759 PolarHBondContact O-N 2.9Å; I757-H760 WeakPolarHBondContact O-CB 3.26Å; I757-H760 PolarHBondContact O-N 2.9Å; I757-F761 HydrophobicContact CG2-CD2 3.79Å; I757-F761 HydrophobicContact CG2-CE2 3.78Å; I757-F761 VanDerWaalsContact O-CD2 3.32Å; I757-F761 WeakPolarHBondContact O-CD2 3.42Å; I757-F761 PolarHBondContact O-N 3.27Å; I757-F761 VanDerWaalsContact O-N 3.1Å; I757-F780 HydrophobicContact CD1-CE1 4.46Å; I757-F780 HydrophobicContact CD1-CZ 4.39Å; I757-F780 HydrophobicContact CG2-CE1 4.4Å; I757-I800 HydrophobicContact CD1-CG2 3.6Å; I757-I800 VanDerWaalsContact CD1-CG2 3.47Å; I757-I801 HydrophobicContact CD1-CD1 4.45Å; I757-S804 VanDerWaalsContact CG2-CB 3.47Å |
| 758 | T | 92.5 | Very high | 81.9 | Confident | 17.6667 Ų | 17.6667 | 51.3 Ų | 51.3 | 11% | 0.108 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -57.7 | -47 | 174.8 | -57.5 | 0 | 0 | 0 | 0 | 111 | C754 S755 H760 F761 T762 S804 L807 | C754-T758 VanDerWaalsContact O-CB 3.27Å; C754-T758 WeakPolarHBondContact O-CB 3.32Å; C754-T758 PolarHBondContact O-N 3.25Å; C754-T758 PolarHBondContact O-OG1 3.08Å; S755-T758 PolarHBondContact O-N 3.4Å; T758-H760 PolarHBondContact O-N 3.42Å; T758-F761 PolarHBondContact O-N 3.24Å; T758-T762 HydrophobicContact CG2-CG2 4.31Å; T758-T762 WeakPolarHBondContact O-CB 3.42Å; T758-T762 VanDerWaalsContact O-CG2 3.32Å; T758-T762 WeakPolarHBondContact O-CG2 3.45Å; T758-T762 PolarHBondContact O-N 3.18Å; T758-T762 PolarHBondContact O-OG1 2.89Å; T758-S804 WeakPolarHBondContact OG1-CA 3.33Å; T758-S804 PolarHBondContact OG1-O 3.39Å; T758-L807 HydrophobicContact CG2-CB 3.83Å |
| 759 | N | 89.9 | Confident | 80 | Confident | 86.3333 Ų | 86.3333 | 61 Ų | 61 | 46% | 0.462 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -64.5 | -39.3 | 177.5 | -74.4 | -33.5 | 0 | 0 | 0 | 112.1 | S755 I756 I757 F761 T762 T763 | S755-N759 VanDerWaalsContact O-CB 3.3Å; S755-N759 WeakPolarHBondContact O-CB 3.45Å; S755-N759 VanDerWaalsContact O-CG 3.22Å; S755-N759 PolarHBondContact O-N 3.24Å; S755-N759 PolarHBondContact O-ND2 3.04Å; S755-N759 PolarHBondContact OG-ND2 3.17Å; I756-N759 PolarHBondContact O-N 3.03Å; I757-N759 VanDerWaalsContact C-N 3.33Å; I757-N759 PolarHBondContact O-N 2.9Å; N759-F761 VanDerWaalsContact C-N 3.34Å; N759-F761 PolarHBondContact O-N 3.15Å; N759-T762 WeakPolarHBondContact CA-OG1 3.32Å; N759-T762 PolarHBondContact O-N 2.93Å; N759-T762 PolarHBondContact O-OG1 3.19Å; N759-T763 WeakPolarHBondContact O-CB 3.23Å; N759-T763 VanDerWaalsContact O-CG2 3.31Å; N759-T763 WeakPolarHBondContact O-CG2 3.32Å; N759-T763 PolarHBondContact O-N 3.07Å; N759-T763 PolarHBondContact O-OG1 2.86Å |
| 760 | H | 89.3 | Confident | 78.1 | Confident | 16.6667 Ų | 16.6667 | 59.7 Ų | 59.7 | 8% | 0.077 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -60.6 | -45.7 | 178.2 | -175.1 | 105.6 | 0 | 0 | 0 | 111.9 | L719 I756 I757 T758 T763 T764 | L719-H760 HydrophobicContact CD1-CB 4.38Å; I756-H760 WeakPolarHBondContact O-CB 3.41Å; I756-H760 PolarHBondContact O-N 3.11Å; I757-H760 WeakPolarHBondContact O-CB 3.26Å; I757-H760 PolarHBondContact O-N 2.9Å; T758-H760 PolarHBondContact O-N 3.42Å; H760-T763 PolarHBondContact O-OG1 2.87Å; H760-T764 VanDerWaalsContact O-CB 3.28Å; H760-T764 WeakPolarHBondContact O-CB 3.36Å; H760-T764 PolarHBondContact O-N 3.22Å; H760-T764 PolarHBondContact O-OG1 3.11Å |
| 761 | F | 87.2 | Confident | 76.1 | Confident | 4.66667 Ų | 4.66667 | 61.7 Ų | 61.7 | 2% | 0.02 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -79.5 | -36.4 | -179.5 | -71.2 | -63 | 0 | 0 | 0 | 113.6 | I757 T758 N759 T763 T764 T765 E776 W777 F780 L805 I810 | I757-F761 HydrophobicContact CG2-CD2 3.79Å; I757-F761 HydrophobicContact CG2-CE2 3.78Å; I757-F761 VanDerWaalsContact O-CD2 3.32Å; I757-F761 WeakPolarHBondContact O-CD2 3.42Å; I757-F761 PolarHBondContact O-N 3.27Å; I757-F761 VanDerWaalsContact O-N 3.1Å; T758-F761 PolarHBondContact O-N 3.24Å; N759-F761 VanDerWaalsContact C-N 3.34Å; N759-F761 PolarHBondContact O-N 3.15Å; F761-T763 PolarHBondContact O-N 3.37Å; F761-T764 WeakPolarHBondContact O-CB 3.24Å; F761-T764 PolarHBondContact O-N 2.93Å; F761-T764 VanDerWaalsContact O-N 3.12Å; F761-T765 PolarHBondContact O-N 3.24Å; F761-T765 PolarHBondContact O-OG1 3Å; F761-T765 VanDerWaalsContact O-OG1 3.1Å; F761-E776 HydrophobicContact CE1-CB 4.36Å; F761-E776 HydrophobicContact CE1-CG 4.28Å; F761-W777 HydrophobicContact CD1-CB 3.95Å; F761-W777 HydrophobicContact CE1-CB 3.81Å; F761-W777 HydrophobicContact CG-CB 4.46Å; F761-W777 HydrophobicContact CZ-CB 4.21Å; F761-F780 HydrophobicContact CE1-CB 4.48Å; F761-F780 AromaticContact CE2-CD1 3.7Å; F761-F780 HydrophobicContact CE2-CD1 3.7Å; F761-F780 AromaticContact CE2-CE1 3.98Å; F761-F780 HydrophobicContact CE2-CE1 4.04Å; F761-F780 HydrophobicContact CE2-CG 4.19Å; F761-F780 HydrophobicContact CZ-CB 3.73Å; F761-F780 AromaticContact CZ-CD1 3.67Å; F761-F780 HydrophobicContact CZ-CD1 3.67Å; F761-F780 HydrophobicContact CZ-CD2 4.41Å; F761-F780 HydrophobicContact CZ-CE1 4.36Å; F761-F780 AromaticContact CZ-CG 3.7Å; F761-F780 HydrophobicContact CZ-CG 3.7Å; F761-L805 HydrophobicContact CD2-CD2 4.03Å; F761-L805 HydrophobicContact CE2-CD2 4.35Å; F761-L805 HydrophobicContact CG-CD2 4.43Å; F761-I810 HydrophobicContact CB-CD1 3.73Å; F761-I810 HydrophobicContact CD1-CD1 4.47Å; F761-I810 HydrophobicContact CG-CD1 4.26Å |
| 762 | T | 82.8 | Confident | 74.2 | Confident | 41.6667 Ų | 41.6667 | 58.6 Ų | 58.6 | 26% | 0.256 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -68 | -39.4 | 175.9 | 50.3 | 0 | 0 | 0 | 0 | 113.4 | T758 N759 T764 T765 T766 | T758-T762 HydrophobicContact CG2-CG2 4.31Å; T758-T762 WeakPolarHBondContact O-CB 3.42Å; T758-T762 VanDerWaalsContact O-CG2 3.32Å; T758-T762 WeakPolarHBondContact O-CG2 3.45Å; T758-T762 PolarHBondContact O-N 3.18Å; T758-T762 PolarHBondContact O-OG1 2.89Å; N759-T762 WeakPolarHBondContact CA-OG1 3.32Å; N759-T762 PolarHBondContact O-N 2.93Å; N759-T762 PolarHBondContact O-OG1 3.19Å; T762-T764 VanDerWaalsContact C-N 3.31Å; T762-T764 PolarHBondContact O-N 3.14Å; T762-T765 WeakPolarHBondContact CA-OG1 3.43Å; T762-T765 PolarHBondContact O-N 3.26Å; T762-T765 PolarHBondContact O-OG1 2.78Å; T762-T766 WeakPolarHBondContact O-CB 3.29Å; T762-T766 WeakPolarHBondContact O-CG2 3.38Å; T762-T766 PolarHBondContact O-N 2.95Å; T762-T766 VanDerWaalsContact O-N 3.16Å; T762-T766 PolarHBondContact O-OG1 3.02Å; T762-T766 VanDerWaalsContact O-OG1 3.09Å |
| 763 | T | 71.1 | Confident | 72.4 | Confident | 65.3333 Ų | 65.3333 | 57.1 Ų | 57.1 | 40% | 0.401 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -67.5 | -36.8 | 174.2 | 53.1 | 0 | 0 | 0 | 0 | 111.7 | N759 H760 F761 T765 T766 I767 | N759-T763 WeakPolarHBondContact O-CB 3.23Å; N759-T763 VanDerWaalsContact O-CG2 3.31Å; N759-T763 WeakPolarHBondContact O-CG2 3.32Å; N759-T763 PolarHBondContact O-N 3.07Å; N759-T763 PolarHBondContact O-OG1 2.86Å; H760-T763 PolarHBondContact O-OG1 2.87Å; F761-T763 PolarHBondContact O-N 3.37Å; T763-T765 PolarHBondContact O-N 3.4Å; T763-T766 WeakPolarHBondContact CA-OG1 3.3Å; T763-T766 PolarHBondContact O-N 2.92Å; T763-T766 PolarHBondContact O-OG1 3.11Å; T763-I767 VanDerWaalsContact O-CB 3.27Å; T763-I767 WeakPolarHBondContact O-CB 3.29Å; T763-I767 VanDerWaalsContact O-CG1 3.24Å; T763-I767 WeakPolarHBondContact O-CG1 3.36Å; T763-I767 PolarHBondContact O-N 3.19Å |
| 764 | T | 62 | Low | 71 | Confident | 5.33333 Ų | 5.33333 | 59.5 Ų | 59.5 | 3% | 0.033 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -63.7 | -44.4 | 176.4 | -62.6 | 0 | 0 | 0 | 0 | 112.1 | R723 H760 F761 T762 T766 S768 D773 | R723-T764 VanDerWaalsContact CZ-CG2 3.42Å; R723-T764 PolarHBondContact NH1-OG1 3.25Å; R723-T764 VanDerWaalsContact NH1-OG1 3.08Å; R723-T764 VanDerWaalsContact NH2-CG2 3.35Å; H760-T764 VanDerWaalsContact O-CB 3.28Å; H760-T764 WeakPolarHBondContact O-CB 3.36Å; H760-T764 PolarHBondContact O-N 3.22Å; H760-T764 PolarHBondContact O-OG1 3.11Å; F761-T764 WeakPolarHBondContact O-CB 3.24Å; F761-T764 PolarHBondContact O-N 2.93Å; F761-T764 VanDerWaalsContact O-N 3.12Å; T762-T764 VanDerWaalsContact C-N 3.31Å; T762-T764 PolarHBondContact O-N 3.14Å; T764-T766 VanDerWaalsContact C-N 3.29Å; T764-T766 PolarHBondContact O-N 3.24Å; T764-S768 WeakPolarHBondContact O-CB 3.27Å; T764-S768 PolarHBondContact O-N 3.17Å; T764-D773 HydrophobicContact CG2-CB 4.12Å |
| 765 | T | 59.6 | Low | 70.1 | Confident | 73 Ų | 73 | 59.6 Ų | 59.6 | 45% | 0.448 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -68 | -20.5 | 176.2 | 18.8 | 0 | 0 | 0 | 0 | 114.4 | F761 T762 T763 | F761-T765 PolarHBondContact O-N 3.24Å; F761-T765 PolarHBondContact O-OG1 3Å; F761-T765 VanDerWaalsContact O-OG1 3.1Å; T762-T765 WeakPolarHBondContact CA-OG1 3.43Å; T762-T765 PolarHBondContact O-N 3.26Å; T762-T765 PolarHBondContact O-OG1 2.78Å; T763-T765 PolarHBondContact O-N 3.4Å |
| 766 | T | 58.8 | Low | 69.6 | Low | 113.667 Ų | 113.667 | 57.2 Ų | 57.2 | 70% | 0.697 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -97.9 | -25 | -179.2 | 47.4 | 0 | 0 | 0 | 0 | 114.1 | T762 T763 T764 | T762-T766 WeakPolarHBondContact O-CB 3.29Å; T762-T766 WeakPolarHBondContact O-CG2 3.38Å; T762-T766 PolarHBondContact O-N 2.95Å; T762-T766 VanDerWaalsContact O-N 3.16Å; T762-T766 PolarHBondContact O-OG1 3.02Å; T762-T766 VanDerWaalsContact O-OG1 3.09Å; T763-T766 WeakPolarHBondContact CA-OG1 3.3Å; T763-T766 PolarHBondContact O-N 2.92Å; T763-T766 PolarHBondContact O-OG1 3.11Å; T764-T766 VanDerWaalsContact C-N 3.29Å; T764-T766 PolarHBondContact O-N 3.24Å |
| 767 | I | 56.7 | Low | 69.4 | Low | 136.667 Ų | 136.667 | 56.5 Ų | 56.5 | 70% | 0.701 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -93 | -31.8 | -177.5 | -65 | 169.9 | 0 | 0 | 0 | 112 | T763 | T763-I767 VanDerWaalsContact O-CB 3.27Å; T763-I767 WeakPolarHBondContact O-CB 3.29Å; T763-I767 VanDerWaalsContact O-CG1 3.24Å; T763-I767 WeakPolarHBondContact O-CG1 3.36Å; T763-I767 PolarHBondContact O-N 3.19Å |
| 768 | S | 48.6 | Very low | 69.1 | Low | 36 Ų | 36 | 56.5 Ų | 56.5 | 25% | 0.252 | 32% | 0.316 | S | S | . | . | trans | -81.7 | 129.8 | -175.6 | -169 | 0 | 0 | 0 | 0 | 113.3 | T764 N770 D773 | T764-S768 WeakPolarHBondContact O-CB 3.27Å; T764-S768 PolarHBondContact O-N 3.17Å; S768-N770 PolarHBondContact OG-N 3.05Å; S768-N770 VanDerWaalsContact OG-N 3.16Å; S768-N770 PolarHBondContact OG-O 2.81Å; S768-N770 VanDerWaalsContact OG-O 3.09Å; S768-D773 WeakPolarHBondContact CB-OD2 3.41Å; S768-D773 WeakPolarHBondContact OG-CB 3.28Å; S768-D773 PolarHBondContact OG-OD2 3Å | ||
| 769 | K | 49 | Very low | 68.8 | Low | 205.667 Ų | 205.667 | 57.1 Ų | 57.1 | 89% | 0.894 | 32% | 0.316 | S | S | * | . | trans | -93 | -2.1 | 163.8 | -71 | -176.5 | 177.8 | 178.2 | 0 | 112.7 | ||||
| 770 | N | 49.7 | Very low | 68.8 | Low | 110.667 Ų | 110.667 | 53 Ų | 53 | 59% | 0.592 | 29% | 0.294 | S | S | * | . | S | Bend | trans | -94.6 | 126.1 | -178.8 | -70.3 | -8.5 | 0 | 0 | 0 | 110 | S768 S772 D773 | S768-N770 PolarHBondContact OG-N 3.05Å; S768-N770 VanDerWaalsContact OG-N 3.16Å; S768-N770 PolarHBondContact OG-O 2.81Å; S768-N770 VanDerWaalsContact OG-O 3.09Å; N770-S772 PolarHBondContact O-N 2.91Å; N770-S772 VanDerWaalsContact O-N 3.13Å; N770-D773 PolarHBondContact O-N 3.18Å; N770-D773 VanDerWaalsContact O-N 3.16Å |
| 771 | V | 49.3 | Very low | 69 | Low | 76.3333 Ų | 76.3333 | 52.2 Ų | 52.2 | 46% | 0.463 | 29% | 0.291 | S | S | . | . | G | 310 helix | trans | -60.3 | -24.7 | -175.1 | -176.9 | 0 | 0 | 0 | 0 | 112.7 | D773 S774 M826 N827 | V771-D773 VanDerWaalsContact C-N 3.31Å; V771-D773 PolarHBondContact O-N 3.22Å; V771-S774 PolarHBondContact O-N 2.73Å; V771-S774 PolarHBondContact O-OG 3.14Å; V771-M826 HydrophobicContact CG1-CB 3.69Å; V771-N827 WeakPolarHBondContact CG1-OD1 3.46Å |
| 772 | S | 52 | Low | 69.1 | Low | 72.6667 Ų | 72.6667 | 53 Ų | 53 | 51% | 0.508 | 29% | 0.294 | S | S | . | . | G | 310 helix | trans | -59.9 | -34 | 176.4 | 49.6 | 0 | 0 | 0 | 0 | 114.4 | N770 S774 | N770-S772 PolarHBondContact O-N 2.91Å; N770-S772 VanDerWaalsContact O-N 3.13Å; S772-S774 VanDerWaalsContact C-N 3.34Å; S772-S774 PolarHBondContact O-N 3.17Å |
| 773 | D | 55.7 | Low | 69.4 | Low | 36.6667 Ų | 36.6667 | 51.3 Ų | 51.3 | 20% | 0.196 | 28% | 0.284 | C | S | . | . | G | 310 helix | trans | -80.8 | -20.2 | -167.5 | -67.5 | 12.2 | 0 | 0 | 0 | 112.9 | R723 T764 S768 N770 V771 N775 E776 | R723-D773 IonicContact CZ-OD2 3.76Å; R723-D773 IonicContact NH2-OD2 3.14Å; R723-D773 PolarHBondContact NH2-OD2 2.78Å; T764-D773 HydrophobicContact CG2-CB 4.12Å; S768-D773 WeakPolarHBondContact CB-OD2 3.41Å; S768-D773 WeakPolarHBondContact OG-CB 3.28Å; S768-D773 PolarHBondContact OG-OD2 3Å; N770-D773 PolarHBondContact O-N 3.18Å; N770-D773 VanDerWaalsContact O-N 3.16Å; V771-D773 VanDerWaalsContact C-N 3.31Å; V771-D773 PolarHBondContact O-N 3.22Å; D773-N775 PolarHBondContact O-N 3.02Å; D773-E776 WeakPolarHBondContact O-CB 3.3Å; D773-E776 WeakPolarHBondContact O-CG 3.47Å; D773-E776 PolarHBondContact O-N 2.87Å |
| 774 | S | 63.6 | Low | 70.4 | Confident | 49.3333 Ų | 49.3333 | 48.2 Ų | 48.2 | 35% | 0.345 | 27% | 0.265 | S | S | . | . | G | 310 helix | trans | -64.4 | -24.7 | -179.8 | 65.5 | 0 | 0 | 0 | 0 | 113.1 | V771 S772 | V771-S774 PolarHBondContact O-N 2.73Å; V771-S774 PolarHBondContact O-OG 3.14Å; S772-S774 VanDerWaalsContact C-N 3.34Å; S772-S774 PolarHBondContact O-N 3.17Å |
| 775 | N | 75.4 | Confident | 71.8 | Confident | 14.3333 Ų | 14.3333 | 48.1 Ų | 48.1 | 8% | 0.077 | 26% | 0.264 | C | S | . | . | G | 310 helix | trans | -101 | 4.8 | -174.9 | -60.7 | -23.6 | 0 | 0 | 0 | 113 | D773 W777 I778 L825 L849 N850 | D773-N775 PolarHBondContact O-N 3.02Å; N775-W777 PolarHBondContact O-N 3.31Å; N775-W777 VanDerWaalsContact O-N 3.14Å; N775-I778 HydrophobicContact CB-CD1 4.13Å; N775-I778 HydrophobicContact CB-CG1 4.49Å; N775-I778 VanDerWaalsContact O-CB 3.3Å; N775-I778 WeakPolarHBondContact O-CB 3.26Å; N775-I778 WeakPolarHBondContact O-CG1 3.36Å; N775-I778 PolarHBondContact O-N 3.12Å; N775-L825 WeakPolarHBondContact ND2-CD2 3.38Å; N775-L849 HydrophobicContact CB-CD1 4.48Å; N775-L849 HydrophobicContact CB-CD2 3.9Å; N775-N850 VanDerWaalsContact CB-OD1 3.24Å; N775-N850 WeakPolarHBondContact CB-OD1 3.29Å; N775-N850 PolarHBondContact ND2-OD1 3.22Å |
| 776 | E | 82.1 | Confident | 73.1 | Confident | 11 Ų | 11 | 45.9 Ų | 45.9 | 5% | 0.051 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -56.5 | -31.8 | -176.7 | -152.8 | 171.9 | -179.7 | 0 | 0 | 113.3 | W722 R723 R726 F761 D773 I778 Y779 F780 | W722-E776 HydrophobicContact CH2-CG 4.02Å; W722-E776 HydrophobicContact CZ3-CG 4.11Å; W722-E776 WeakPolarHBondContact CZ3-OE1 3.47Å; R723-E776 WeakPolarHBondContact CB-OE1 3.2Å; R723-E776 WeakPolarHBondContact CD-OE1 3.46Å; R723-E776 WeakPolarHBondContact CD-OE2 3.31Å; R723-E776 WeakPolarHBondContact CG-OE1 3.4Å; R723-E776 IonicContact CZ-OE1 3.45Å; R723-E776 IonicContact CZ-OE2 3.1Å; R723-E776 IonicContact NE-OE1 3.15Å; R723-E776 PolarHBondContact NE-OE1 2.99Å; R723-E776 IonicContact NE-OE2 3.3Å; R723-E776 PolarHBondContact NE-OE2 3.2Å; R723-E776 IonicContact NH2-OE1 3.67Å; R723-E776 IonicContact NH2-OE2 3.68Å; R723-E776 PolarHBondContact NH2-OE2 3.15Å; R726-E776 IonicContact CZ-OE1 3.52Å; R726-E776 IonicContact NH1-OE1 2.88Å; R726-E776 PolarHBondContact NH1-OE1 3.01Å; R726-E776 IonicContact NH2-OE1 3.32Å; R726-E776 PolarHBondContact NH2-OE1 3.16Å; R726-E776 IonicContact NH2-OE2 2.72Å; R726-E776 PolarHBondContact NH2-OE2 3.49Å; F761-E776 HydrophobicContact CE1-CB 4.36Å; F761-E776 HydrophobicContact CE1-CG 4.28Å; D773-E776 WeakPolarHBondContact O-CB 3.3Å; D773-E776 WeakPolarHBondContact O-CG 3.47Å; D773-E776 PolarHBondContact O-N 2.87Å; E776-I778 PolarHBondContact O-N 3.14Å; E776-Y779 PolarHBondContact O-N 3.03Å; E776-F780 PolarHBondContact O-N 3.08Å |
| 777 | W | 88.3 | Confident | 74.5 | Confident | 12 Ų | 12 | 44.5 Ų | 44.5 | 5% | 0.045 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -61.5 | -29.4 | 176.7 | 74.5 | -90.9 | 0 | 0 | 0 | 112.9 | F761 N775 F780 V781 L805 I810 R811 W816 I823 L837 | F761-W777 HydrophobicContact CD1-CB 3.95Å; F761-W777 HydrophobicContact CE1-CB 3.81Å; F761-W777 HydrophobicContact CG-CB 4.46Å; F761-W777 HydrophobicContact CZ-CB 4.21Å; N775-W777 PolarHBondContact O-N 3.31Å; N775-W777 VanDerWaalsContact O-N 3.14Å; W777-F780 WeakPolarHBondContact O-CB 3.39Å; W777-F780 PolarHBondContact O-N 3Å; W777-V781 HydrophobicContact CE3-CG2 4.07Å; W777-V781 HydrophobicContact CZ3-CG2 4.41Å; W777-V781 VanDerWaalsContact O-CG2 3.29Å; W777-V781 WeakPolarHBondContact O-CG2 3.19Å; W777-V781 PolarHBondContact O-N 2.99Å; W777-L805 HydrophobicContact CB-CD2 3.97Å; W777-L805 HydrophobicContact CE3-CD1 3.93Å; W777-L805 HydrophobicContact CZ3-CD1 4.38Å; W777-I810 HydrophobicContact CB-CD1 4.25Å; W777-I810 HydrophobicContact CB-CG2 4.45Å; W777-I810 VanDerWaalsContact CD1-CG2 3.45Å; W777-I810 HydrophobicContact CD2-CG2 3.46Å; W777-I810 VanDerWaalsContact CD2-CG2 3.46Å; W777-I810 HydrophobicContact CE3-CG2 4.16Å; W777-I810 HydrophobicContact CG-CD1 4.23Å; W777-I810 HydrophobicContact CG-CG2 3.59Å; W777-I810 HydrophobicContact CH2-CG2 4.49Å; W777-I810 HydrophobicContact CZ2-CG2 3.95Å; W777-I810 VanDerWaalsContact NE1-CG2 3.3Å; W777-R811 HydrophobicContact CH2-CB 4.45Å; W777-W816 HydrophobicContact CZ3-CH2 4.29Å; W777-W816 HydrophobicContact CZ3-CZ2 4.48Å; W777-I823 HydrophobicContact CH2-CD1 3.68Å; W777-I823 HydrophobicContact CH2-CG1 4.18Å; W777-I823 HydrophobicContact CZ2-CD1 3.95Å; W777-I823 HydrophobicContact CZ2-CG1 4.1Å; W777-I823 HydrophobicContact CZ2-CG2 4.22Å; W777-L837 HydrophobicContact CH2-CD1 4.06Å; W777-L837 HydrophobicContact CZ3-CD1 4.16Å; W777-L837 HydrophobicContact CZ3-CD2 4.39Å |
| 778 | I | 88.3 | Confident | 76 | Confident | 1 Ų | 1 | 38.2 Ų | 38.2 | 1% | 0.005 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -65.9 | -46.3 | 177.3 | -57.4 | 179.8 | 0 | 0 | 0 | 109.2 | N775 E776 F780 V781 Y782 I823 L825 L837 I840 F841 L846 L849 | N775-I778 HydrophobicContact CB-CD1 4.13Å; N775-I778 HydrophobicContact CB-CG1 4.49Å; N775-I778 VanDerWaalsContact O-CB 3.3Å; N775-I778 WeakPolarHBondContact O-CB 3.26Å; N775-I778 WeakPolarHBondContact O-CG1 3.36Å; N775-I778 PolarHBondContact O-N 3.12Å; E776-I778 PolarHBondContact O-N 3.14Å; I778-F780 VanDerWaalsContact C-N 3.32Å; I778-F780 PolarHBondContact O-N 3.24Å; I778-V781 PolarHBondContact O-N 3.28Å; I778-Y782 WeakPolarHBondContact O-CB 3.31Å; I778-Y782 PolarHBondContact O-N 3.11Å; I778-I823 HydrophobicContact CD1-CG2 3.99Å; I778-L825 HydrophobicContact CD1-CD2 4.08Å; I778-L837 HydrophobicContact CG2-CD1 4.05Å; I778-I840 HydrophobicContact CD1-CD1 3.98Å; I778-I840 HydrophobicContact CG2-CG2 3.98Å; I778-F841 HydrophobicContact CG2-CD1 4.37Å; I778-F841 HydrophobicContact CG2-CE1 3.82Å; I778-L846 HydrophobicContact CG2-CD1 3.77Å; I778-L849 HydrophobicContact CD1-CD1 4.48Å |
| 779 | Y | 85.5 | Confident | 77.8 | Confident | 30 Ų | 30 | 37.7 Ų | 37.7 | 12% | 0.118 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -68 | -31.7 | 176.1 | -174.2 | -109.4 | 0 | 0 | 0 | 112.2 | W722 R726 E776 Y782 S783 N850 T851 | W722-Y779 HydrophobicContact CH2-CD1 4.21Å; W722-Y779 AromaticContact CZ2-CD1 3.47Å; W722-Y779 HydrophobicContact CZ2-CD1 3.47Å; W722-Y779 VanDerWaalsContact CZ2-CD1 3.42Å; W722-Y779 AromaticContact CZ2-CE1 3.9Å; W722-Y779 HydrophobicContact CZ2-CE1 3.96Å; W722-Y779 HydrophobicContact CZ2-CG 4.31Å; W722-Y779 AromaticContact NE1-CE1 3.95Å; R726-Y779 HydrophobicContact CB-CE1 4.03Å; R726-Y779 VanDerWaalsContact CD-CE1 3.46Å; R726-Y779 HydrophobicContact CG-CD1 4.32Å; R726-Y779 HydrophobicContact CG-CE1 4.14Å; R726-Y779 PolarHBondContact O-OH 3.16Å; R726-Y779 VanDerWaalsContact O-OH 3.09Å; E776-Y779 PolarHBondContact O-N 3.03Å; Y779-Y782 AromaticContact CD2-CD1 3.94Å; Y779-Y782 HydrophobicContact CD2-CD1 4.13Å; Y779-Y782 AromaticContact CE2-CD1 3.88Å; Y779-Y782 HydrophobicContact CE2-CD1 4.2Å; Y779-Y782 HydrophobicContact CE2-CE1 4.35Å; Y779-Y782 PolarHBondContact O-N 2.79Å; Y779-S783 VanDerWaalsContact CE1-OG 3.28Å; Y779-S783 WeakPolarHBondContact CE1-OG 3.28Å; Y779-S783 WeakPolarHBondContact CE2-OG 3.16Å; Y779-S783 VanDerWaalsContact O-CB 3.28Å; Y779-S783 WeakPolarHBondContact O-CB 3.28Å; Y779-S783 PolarHBondContact O-N 3.26Å; Y779-S783 PolarHBondContact O-OG 3.18Å; Y779-N850 HydrophobicContact CD2-CB 4.11Å; Y779-N850 WeakPolarHBondContact CE1-ND2 3.08Å; Y779-N850 HydrophobicContact CE2-CB 4.05Å; Y779-N850 VanDerWaalsContact CE2-ND2 3.32Å; Y779-N850 WeakPolarHBondContact CE2-ND2 3.48Å; Y779-N850 VanDerWaalsContact CZ-ND2 3.33Å; Y779-T851 HydrophobicContact CD1-CG2 3.81Å; Y779-T851 HydrophobicContact CD2-CG2 3.37Å; Y779-T851 VanDerWaalsContact CD2-CG2 3.41Å; Y779-T851 HydrophobicContact CE1-CG2 4.21Å; Y779-T851 HydrophobicContact CE2-CG2 3.8Å; Y779-T851 HydrophobicContact CG-CG2 3.86Å |
| 780 | F | 90.6 | Very high | 79.7 | Confident | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -60.6 | -51.5 | 171.6 | -175.2 | -120.4 | 0 | 0 | 0 | 111.7 | L719 W722 I731 V734 I757 F761 E776 W777 I778 Y782 S783 L784 I801 | L719-F780 HydrophobicContact CD2-CD2 4.48Å; L719-F780 HydrophobicContact CD2-CE2 3.62Å; L719-F780 HydrophobicContact CD2-CZ 3.88Å; W722-F780 HydrophobicContact CD2-CD2 4.26Å; W722-F780 HydrophobicContact CE3-CD2 4.07Å; W722-F780 VanDerWaalsContact CH2-CA 3.47Å; W722-F780 HydrophobicContact CH2-CB 3.44Å; W722-F780 VanDerWaalsContact CH2-CB 3.47Å; W722-F780 AromaticContact CH2-CD2 3.79Å; W722-F780 HydrophobicContact CH2-CD2 3.79Å; W722-F780 HydrophobicContact CH2-CG 4.07Å; W722-F780 VanDerWaalsContact CZ2-CA 3.45Å; W722-F780 HydrophobicContact CZ2-CB 3.87Å; W722-F780 AromaticContact CZ2-CD2 3.89Å; W722-F780 HydrophobicContact CZ2-CD2 3.94Å; W722-F780 HydrophobicContact CZ2-CG 4.42Å; W722-F780 HydrophobicContact CZ3-CB 4.11Å; W722-F780 AromaticContact CZ3-CD2 3.84Å; W722-F780 HydrophobicContact CZ3-CD2 3.84Å; W722-F780 HydrophobicContact CZ3-CG 4.35Å; I731-F780 HydrophobicContact CD1-CD2 3.98Å; I731-F780 HydrophobicContact CD1-CE2 3.85Å; V734-F780 HydrophobicContact CG1-CE2 4.08Å; V734-F780 HydrophobicContact CG1-CZ 4.15Å; I757-F780 HydrophobicContact CD1-CE1 4.46Å; I757-F780 HydrophobicContact CD1-CZ 4.39Å; I757-F780 HydrophobicContact CG2-CE1 4.4Å; F761-F780 HydrophobicContact CE1-CB 4.48Å; F761-F780 AromaticContact CE2-CD1 3.7Å; F761-F780 HydrophobicContact CE2-CD1 3.7Å; F761-F780 AromaticContact CE2-CE1 3.98Å; F761-F780 HydrophobicContact CE2-CE1 4.04Å; F761-F780 HydrophobicContact CE2-CG 4.19Å; F761-F780 HydrophobicContact CZ-CB 3.73Å; F761-F780 AromaticContact CZ-CD1 3.67Å; F761-F780 HydrophobicContact CZ-CD1 3.67Å; F761-F780 HydrophobicContact CZ-CD2 4.41Å; F761-F780 HydrophobicContact CZ-CE1 4.36Å; F761-F780 AromaticContact CZ-CG 3.7Å; F761-F780 HydrophobicContact CZ-CG 3.7Å; E776-F780 PolarHBondContact O-N 3.08Å; W777-F780 WeakPolarHBondContact O-CB 3.39Å; W777-F780 PolarHBondContact O-N 3Å; I778-F780 VanDerWaalsContact C-N 3.32Å; I778-F780 PolarHBondContact O-N 3.24Å; F780-Y782 VanDerWaalsContact C-N 3.34Å; F780-Y782 PolarHBondContact O-N 3.23Å; F780-S783 PolarHBondContact O-N 3.2Å; F780-S783 VanDerWaalsContact O-N 3.16Å; F780-L784 HydrophobicContact CD1-CD1 4.04Å; F780-L784 HydrophobicContact CE1-CD1 3.68Å; F780-L784 HydrophobicContact CE2-CD1 4.32Å; F780-L784 HydrophobicContact CE2-CG 4.41Å; F780-L784 HydrophobicContact CG-CD1 4.49Å; F780-L784 HydrophobicContact CZ-CD1 3.82Å; F780-L784 HydrophobicContact CZ-CD2 4.48Å; F780-L784 HydrophobicContact CZ-CG 4.38Å; F780-L784 WeakPolarHBondContact O-CG 3.43Å; F780-L784 PolarHBondContact O-N 3.33Å; F780-I801 HydrophobicContact CE1-CD1 3.98Å; F780-I801 HydrophobicContact CZ-CD1 4.44Å |
| 781 | V | 92.1 | Very high | 81.2 | Confident | 0.666667 Ų | 0.666667 | 27.7 Ų | 27.7 | 0% | 0.004 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -62.1 | -44.4 | 179.1 | 176.4 | 0 | 0 | 0 | 0 | 110.9 | W777 I778 S783 L784 L785 F797 I801 L805 W816 L837 F841 | W777-V781 HydrophobicContact CE3-CG2 4.07Å; W777-V781 HydrophobicContact CZ3-CG2 4.41Å; W777-V781 VanDerWaalsContact O-CG2 3.29Å; W777-V781 WeakPolarHBondContact O-CG2 3.19Å; W777-V781 PolarHBondContact O-N 2.99Å; I778-V781 PolarHBondContact O-N 3.28Å; V781-S783 PolarHBondContact O-N 3.1Å; V781-L784 PolarHBondContact O-N 3.04Å; V781-L785 HydrophobicContact CG1-CD1 4.21Å; V781-L785 WeakPolarHBondContact O-CG 3.45Å; V781-L785 PolarHBondContact O-N 3.35Å; V781-F797 HydrophobicContact CG1-CE1 3.74Å; V781-F797 HydrophobicContact CG1-CZ 3.85Å; V781-I801 HydrophobicContact CG2-CG2 4.26Å; V781-L805 HydrophobicContact CG2-CD1 3.88Å; V781-W816 HydrophobicContact CG1-CH2 4.35Å; V781-W816 HydrophobicContact CG1-CZ3 4.24Å; V781-W816 HydrophobicContact CG2-CH2 4.09Å; V781-L837 HydrophobicContact CG1-CD2 4.34Å; V781-F841 HydrophobicContact CB-CZ 4.24Å; V781-F841 HydrophobicContact CG1-CE2 4.35Å; V781-F841 HydrophobicContact CG1-CZ 3.81Å |
| 782 | Y | 90.2 | Very high | 83 | Confident | 20.6667 Ų | 20.6667 | 25.4 Ų | 25.4 | 8% | 0.081 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -57.1 | -49.8 | 173.3 | 178.4 | -93.7 | 0 | 0 | 0 | 111.9 | I778 Y779 F780 L784 L785 M786 F841 L846 L847 I853 L865 | I778-Y782 WeakPolarHBondContact O-CB 3.31Å; I778-Y782 PolarHBondContact O-N 3.11Å; Y779-Y782 AromaticContact CD2-CD1 3.94Å; Y779-Y782 HydrophobicContact CD2-CD1 4.13Å; Y779-Y782 AromaticContact CE2-CD1 3.88Å; Y779-Y782 HydrophobicContact CE2-CD1 4.2Å; Y779-Y782 HydrophobicContact CE2-CE1 4.35Å; Y779-Y782 PolarHBondContact O-N 2.79Å; F780-Y782 VanDerWaalsContact C-N 3.34Å; F780-Y782 PolarHBondContact O-N 3.23Å; Y782-L784 VanDerWaalsContact C-N 3.28Å; Y782-L784 PolarHBondContact O-N 3.17Å; Y782-L785 PolarHBondContact O-N 3.15Å; Y782-M786 HydrophobicContact CD1-CG 4.16Å; Y782-M786 HydrophobicContact CD2-CG 4.38Å; Y782-M786 HydrophobicContact CE1-CG 3.81Å; Y782-M786 HydrophobicContact CE2-CG 4.12Å; Y782-M786 HydrophobicContact CE2-SD 4.4Å; Y782-M786 HydrophobicContact CG-CG 4.43Å; Y782-M786 WeakPolarHBondContact O-CB 3.34Å; Y782-M786 VanDerWaalsContact O-CG 3.27Å; Y782-M786 WeakPolarHBondContact O-CG 3.38Å; Y782-M786 PolarHBondContact O-N 3.27Å; Y782-F841 HydrophobicContact CD2-CD1 4.19Å; Y782-F841 HydrophobicContact CD2-CE1 4.39Å; Y782-L846 HydrophobicContact CD1-CD2 4Å; Y782-L846 HydrophobicContact CD2-CD2 3.37Å; Y782-L846 HydrophobicContact CE1-CD2 4.16Å; Y782-L846 HydrophobicContact CE2-CD2 3.54Å; Y782-L846 HydrophobicContact CG-CD2 3.6Å; Y782-L847 HydrophobicContact CD2-CD1 4.27Å; Y782-L847 HydrophobicContact CD2-CD2 4.38Å; Y782-L847 HydrophobicContact CE2-CD1 4.42Å; Y782-L847 HydrophobicContact CE2-CD2 3.85Å; Y782-I853 HydrophobicContact CE1-CD1 4.16Å; Y782-L865 HydrophobicContact CD2-CD1 3.9Å; Y782-L865 HydrophobicContact CD2-CD2 4.11Å; Y782-L865 HydrophobicContact CE2-CD1 3.96Å; Y782-L865 HydrophobicContact CE2-CD2 3.66Å; Y782-L865 HydrophobicContact CE2-CG 4.36Å |
| 783 | S | 89 | Confident | 84.8 | Confident | 7.33333 Ų | 7.33333 | 21.9 Ų | 21.9 | 5% | 0.051 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -60.9 | -35.8 | -179.2 | -59 | 0 | 0 | 0 | 0 | 112.2 | Y779 F780 V781 K787 | Y779-S783 VanDerWaalsContact CE1-OG 3.28Å; Y779-S783 WeakPolarHBondContact CE1-OG 3.28Å; Y779-S783 WeakPolarHBondContact CE2-OG 3.16Å; Y779-S783 VanDerWaalsContact O-CB 3.28Å; Y779-S783 WeakPolarHBondContact O-CB 3.28Å; Y779-S783 PolarHBondContact O-N 3.26Å; Y779-S783 PolarHBondContact O-OG 3.18Å; F780-S783 PolarHBondContact O-N 3.2Å; F780-S783 VanDerWaalsContact O-N 3.16Å; V781-S783 PolarHBondContact O-N 3.1Å; S783-K787 WeakPolarHBondContact O-CB 3.24Å; S783-K787 VanDerWaalsContact O-CG 3.3Å; S783-K787 WeakPolarHBondContact O-CG 3.31Å; S783-K787 PolarHBondContact O-N 2.97Å |
| 784 | L | 92.2 | Very high | 86.4 | Confident | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -68.1 | -49.3 | 174.7 | -69.9 | 172.7 | 0 | 0 | 0 | 111.9 | I731 F780 V781 Y782 M786 K787 L788 F797 I801 | I731-L784 HydrophobicContact CD1-CD2 3.76Å; I731-L784 HydrophobicContact CD1-CG 4.09Å; I731-L784 HydrophobicContact CG1-CD2 4.14Å; F780-L784 HydrophobicContact CD1-CD1 4.04Å; F780-L784 HydrophobicContact CE1-CD1 3.68Å; F780-L784 HydrophobicContact CE2-CD1 4.32Å; F780-L784 HydrophobicContact CE2-CG 4.41Å; F780-L784 HydrophobicContact CG-CD1 4.49Å; F780-L784 HydrophobicContact CZ-CD1 3.82Å; F780-L784 HydrophobicContact CZ-CD2 4.48Å; F780-L784 HydrophobicContact CZ-CG 4.38Å; F780-L784 WeakPolarHBondContact O-CG 3.43Å; F780-L784 PolarHBondContact O-N 3.33Å; V781-L784 PolarHBondContact O-N 3.04Å; Y782-L784 VanDerWaalsContact C-N 3.28Å; Y782-L784 PolarHBondContact O-N 3.17Å; L784-M786 PolarHBondContact O-N 3.04Å; L784-K787 PolarHBondContact O-N 2.91Å; L784-K787 VanDerWaalsContact O-N 3.11Å; L784-L788 HydrophobicContact CB-CD1 4.28Å; L784-L788 HydrophobicContact CD2-CD1 3.52Å; L784-L788 VanDerWaalsContact CD2-CD1 3.43Å; L784-L788 HydrophobicContact CD2-CD2 4.23Å; L784-L788 HydrophobicContact CG-CD1 4.4Å; L784-L788 WeakPolarHBondContact O-CB 3.46Å; L784-L788 WeakPolarHBondContact O-CD1 3.44Å; L784-L788 PolarHBondContact O-N 3.25Å; L784-F797 HydrophobicContact CB-CE2 4.37Å; L784-F797 HydrophobicContact CB-CZ 4.46Å; L784-I801 HydrophobicContact CD1-CD1 3.43Å; L784-I801 VanDerWaalsContact CD1-CD1 3.43Å; L784-I801 HydrophobicContact CD1-CG1 3.97Å |
| 785 | L | 91 | Very high | 87.7 | Confident | 2.33333 Ų | 2.33333 | 21.7 Ų | 21.7 | 1% | 0.012 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -55.9 | -37.1 | 178 | -71.3 | 171.3 | 0 | 0 | 0 | 112 | V781 Y782 K787 L793 F797 F841 L865 A868 I869 I872 | V781-L785 HydrophobicContact CG1-CD1 4.21Å; V781-L785 WeakPolarHBondContact O-CG 3.45Å; V781-L785 PolarHBondContact O-N 3.35Å; Y782-L785 PolarHBondContact O-N 3.15Å; L785-K787 VanDerWaalsContact C-N 3.35Å; L785-K787 PolarHBondContact O-N 3.05Å; L785-L793 HydrophobicContact CD2-CD1 4.16Å; L785-L793 HydrophobicContact CD2-CD2 4.26Å; L785-F797 HydrophobicContact CD2-CE1 4.46Å; L785-F797 HydrophobicContact CD2-CE2 4.22Å; L785-F797 HydrophobicContact CD2-CZ 3.81Å; L785-F797 HydrophobicContact CG-CZ 3.99Å; L785-F841 HydrophobicContact CD1-CD2 4.3Å; L785-F841 HydrophobicContact CD1-CE2 3.53Å; L785-F841 VanDerWaalsContact CD1-CE2 3.45Å; L785-F841 HydrophobicContact CD1-CZ 4.09Å; L785-L865 HydrophobicContact CB-CD1 4.22Å; L785-L865 HydrophobicContact CD1-CD1 4.13Å; L785-A868 HydrophobicContact CB-CB 3.96Å; L785-A868 HydrophobicContact CD2-CB 4.1Å; L785-A868 HydrophobicContact CG-CB 4.5Å; L785-A868 VanDerWaalsContact O-CB 3.24Å; L785-A868 WeakPolarHBondContact O-CB 3.37Å; L785-I869 HydrophobicContact CD1-CG1 4.42Å; L785-I872 HydrophobicContact CD2-CD1 3.42Å; L785-I872 VanDerWaalsContact CD2-CD1 3.42Å; L785-I872 HydrophobicContact CD2-CG1 4.38Å; L785-I872 HydrophobicContact CD2-CG2 4.35Å |
| 786 | M | 87.3 | Confident | 88.6 | Confident | 27.3333 Ų | 27.3333 | 21.1 Ų | 21.1 | 14% | 0.135 | 11% | 0.105 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.4 | -11.9 | -177.8 | -68.6 | -58.5 | -67 | 0 | 0 | 114.8 | Y782 L784 N861 N864 L865 | Y782-M786 HydrophobicContact CD1-CG 4.16Å; Y782-M786 HydrophobicContact CD2-CG 4.38Å; Y782-M786 HydrophobicContact CE1-CG 3.81Å; Y782-M786 HydrophobicContact CE2-CG 4.12Å; Y782-M786 HydrophobicContact CE2-SD 4.4Å; Y782-M786 HydrophobicContact CG-CG 4.43Å; Y782-M786 WeakPolarHBondContact O-CB 3.34Å; Y782-M786 VanDerWaalsContact O-CG 3.27Å; Y782-M786 WeakPolarHBondContact O-CG 3.38Å; Y782-M786 PolarHBondContact O-N 3.27Å; L784-M786 PolarHBondContact O-N 3.04Å; M786-N861 HydrophobicContact CE-CB 3.84Å; M786-N861 WeakPolarHBondContact CE-O 3.42Å; M786-N861 VanDerWaalsContact CE-OD1 3.31Å; M786-N861 WeakPolarHBondContact CE-OD1 3.22Å; M786-N864 HydrophobicContact CE-CB 3.89Å; M786-N864 HydrophobicContact SD-CB 4.24Å; M786-L865 HydrophobicContact CG-CD1 4.45Å; M786-L865 HydrophobicContact SD-CB 3.84Å; M786-L865 HydrophobicContact SD-CD1 4.08Å; M786-L865 HydrophobicContact SD-CG 4.47Å |
| 787 | K | 87.3 | Confident | 89.2 | Confident | 83.3333 Ų | 83.3333 | 20.6 Ų | 20.6 | 36% | 0.362 | 10% | 0.103 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -134.9 | -15.5 | -168.3 | -59.8 | -65.6 | 172.8 | 173.9 | 0 | 116 | S728 I731 R732 S783 L784 L785 | S728-K787 VanDerWaalsContact OG-CD 3.3Å; S728-K787 WeakPolarHBondContact OG-CD 3.29Å; S728-K787 VanDerWaalsContact OG-CE 3.25Å; S728-K787 WeakPolarHBondContact OG-CE 3.42Å; S728-K787 PolarHBondContact OG-NZ 3.23Å; S728-K787 VanDerWaalsContact OG-NZ 3.11Å; I731-K787 HydrophobicContact CG2-CB 4.03Å; I731-K787 HydrophobicContact CG2-CG 3.75Å; R732-K787 HydrophobicContact CG-CB 4.31Å; S783-K787 WeakPolarHBondContact O-CB 3.24Å; S783-K787 VanDerWaalsContact O-CG 3.3Å; S783-K787 WeakPolarHBondContact O-CG 3.31Å; S783-K787 PolarHBondContact O-N 2.97Å; L784-K787 PolarHBondContact O-N 2.91Å; L784-K787 VanDerWaalsContact O-N 3.11Å; L785-K787 VanDerWaalsContact C-N 3.35Å; L785-K787 PolarHBondContact O-N 3.05Å |
| 788 | L | 88.9 | Confident | 89.5 | Confident | 5 Ų | 5 | 22.4 Ų | 22.4 | 3% | 0.026 | 12% | 0.117 | C | C | . | . | S | Bend | trans | -87.6 | 149.4 | 173.6 | -87.9 | 65.7 | 0 | 0 | 0 | 111.1 | L644 I739 L784 Y790 L793 V796 | L644-L788 HydrophobicContact CD1-CD1 4.41Å; L644-L788 HydrophobicContact CD1-CG 4.36Å; I739-L788 HydrophobicContact CD1-CD2 4.34Å; I739-L788 HydrophobicContact CD1-CG 4.19Å; I739-L788 HydrophobicContact CG1-CD2 4.47Å; L784-L788 HydrophobicContact CB-CD1 4.28Å; L784-L788 HydrophobicContact CD2-CD1 3.52Å; L784-L788 VanDerWaalsContact CD2-CD1 3.43Å; L784-L788 HydrophobicContact CD2-CD2 4.23Å; L784-L788 HydrophobicContact CG-CD1 4.4Å; L784-L788 WeakPolarHBondContact O-CB 3.46Å; L784-L788 WeakPolarHBondContact O-CD1 3.44Å; L784-L788 PolarHBondContact O-N 3.25Å; L788-Y790 PolarHBondContact O-N 3.35Å; L788-L793 HydrophobicContact CB-CD2 3.69Å; L788-L793 HydrophobicContact CD2-CD2 4.48Å; L788-V796 HydrophobicContact CD2-CB 4.25Å; L788-V796 HydrophobicContact CD2-CG1 3.98Å; L788-V796 HydrophobicContact CD2-CG2 4.13Å |
| 789 | P | 87.2 | Confident | 89.7 | Confident | 24.3333 Ų | 24.3333 | 25.7 Ų | 25.7 | 16% | 0.158 | 13% | 0.134 | C | C | . | . | trans | -60.3 | 131.1 | 174.7 | -20.4 | 32.4 | 0 | 0 | 0 | 111.3 | I689 L704 I739 S791 L792 L793 | I689-P789 HydrophobicContact CD1-CB 3.46Å; I689-P789 VanDerWaalsContact CD1-CB 3.46Å; I689-P789 HydrophobicContact CD1-CG 3.84Å; L704-P789 HydrophobicContact CD1-CB 4.33Å; L704-P789 HydrophobicContact CD1-CG 3.39Å; L704-P789 VanDerWaalsContact CD1-CG 3.46Å; I739-P789 HydrophobicContact CD1-CG 4.47Å; P789-S791 VanDerWaalsContact C-N 3.27Å; P789-S791 PolarHBondContact O-N 3.06Å; P789-S791 VanDerWaalsContact O-N 3.16Å; P789-L792 HydrophobicContact CB-CD1 4.44Å; P789-L792 HydrophobicContact CG-CD1 4.35Å; P789-L792 PolarHBondContact O-N 3.13Å; P789-L793 PolarHBondContact O-N 3.35Å | ||
| 790 | Y | 86.9 | Confident | 90.2 | Very high | 60 Ų | 60 | 24.3 Ų | 24.3 | 24% | 0.235 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -55.6 | -39.3 | -173.2 | -65.6 | -20.6 | 0 | 0 | 0 | 113.2 | L788 L792 L793 N864 S867 A868 S871 Q875 P909 | L788-Y790 PolarHBondContact O-N 3.35Å; Y790-L792 PolarHBondContact O-N 3.14Å; Y790-L792 VanDerWaalsContact O-N 3.11Å; Y790-L793 HydrophobicContact CD1-CD1 3.86Å; Y790-L793 WeakPolarHBondContact O-CB 3.29Å; Y790-L793 PolarHBondContact O-N 3.11Å; Y790-L793 VanDerWaalsContact O-N 3.12Å; Y790-N864 WeakPolarHBondContact OH-CA 3.35Å; Y790-N864 WeakPolarHBondContact OH-CB 3.18Å; Y790-N864 PolarHBondContact OH-O 3.01Å; Y790-N864 PolarHBondContact OH-OD1 3.06Å; Y790-S867 VanDerWaalsContact CE2-CB 3.45Å; Y790-A868 HydrophobicContact CD1-CB 4.19Å; Y790-A868 HydrophobicContact CE1-CB 3.79Å; Y790-S871 WeakPolarHBondContact CB-OG 3.48Å; Y790-S871 PolarHBondContact O-OG 3.04Å; Y790-Q875 PolarHBondContact O-NE2 3.22Å; Y790-P909 HydrophobicContact CD2-CG 3.95Å; Y790-P909 HydrophobicContact CE2-CG 3.65Å |
| 791 | S | 82.3 | Confident | 90.4 | Very high | 48 Ų | 48 | 24.3 Ų | 24.3 | 34% | 0.336 | 13% | 0.129 | S | C | . | . | H | α-helix | trans | -62 | -16.9 | 177.8 | 51 | 0 | 0 | 0 | 0 | 115.1 | P789 Q875 | P789-S791 VanDerWaalsContact C-N 3.27Å; P789-S791 PolarHBondContact O-N 3.06Å; P789-S791 VanDerWaalsContact O-N 3.16Å; S791-Q875 PolarHBondContact O-OE1 2.83Å |
| 792 | L | 87.3 | Confident | 90.5 | Very high | 26.6667 Ų | 26.6667 | 25 Ų | 25 | 14% | 0.14 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -109.8 | -7.6 | -178.2 | -61.2 | 176.2 | 0 | 0 | 0 | 113.2 | I689 I739 P789 Y790 G794 L795 V796 | I689-L792 HydrophobicContact CD1-CD1 4.38Å; I739-L792 HydrophobicContact CD1-CB 4.49Å; I739-L792 HydrophobicContact CD1-CD1 3.91Å; I739-L792 HydrophobicContact CG1-CB 4.46Å; I739-L792 HydrophobicContact CG1-CD1 4.13Å; I739-L792 HydrophobicContact CG2-CD1 3.83Å; P789-L792 HydrophobicContact CB-CD1 4.44Å; P789-L792 HydrophobicContact CG-CD1 4.35Å; P789-L792 PolarHBondContact O-N 3.13Å; Y790-L792 PolarHBondContact O-N 3.14Å; Y790-L792 VanDerWaalsContact O-N 3.11Å; L792-G794 PolarHBondContact O-N 3.04Å; L792-L795 HydrophobicContact CD2-CD1 4.28Å; L792-L795 WeakPolarHBondContact O-CB 3.23Å; L792-L795 PolarHBondContact O-N 3.16Å; L792-V796 WeakPolarHBondContact O-CG2 3.26Å; L792-V796 PolarHBondContact O-N 3.26Å |
| 793 | L | 90.1 | Very high | 90.7 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -58 | -49.9 | -177.3 | -76.6 | 176.5 | 0 | 0 | 0 | 112.5 | L785 L788 P789 Y790 L795 V796 F797 A868 I872 | L785-L793 HydrophobicContact CD2-CD1 4.16Å; L785-L793 HydrophobicContact CD2-CD2 4.26Å; L788-L793 HydrophobicContact CB-CD2 3.69Å; L788-L793 HydrophobicContact CD2-CD2 4.48Å; P789-L793 PolarHBondContact O-N 3.35Å; Y790-L793 HydrophobicContact CD1-CD1 3.86Å; Y790-L793 WeakPolarHBondContact O-CB 3.29Å; Y790-L793 PolarHBondContact O-N 3.11Å; Y790-L793 VanDerWaalsContact O-N 3.12Å; L793-L795 VanDerWaalsContact C-N 3.32Å; L793-L795 PolarHBondContact O-N 3.11Å; L793-V796 PolarHBondContact O-N 3.17Å; L793-F797 HydrophobicContact CD2-CD2 4.45Å; L793-F797 HydrophobicContact CD2-CE2 4.1Å; L793-F797 WeakPolarHBondContact O-CB 3.31Å; L793-F797 VanDerWaalsContact O-CD2 3.23Å; L793-F797 WeakPolarHBondContact O-CD2 3.18Å; L793-F797 PolarHBondContact O-N 2.99Å; L793-A868 HydrophobicContact CD1-CB 3.88Å; L793-I872 HydrophobicContact CB-CB 4.45Å; L793-I872 HydrophobicContact CB-CD1 3.94Å; L793-I872 HydrophobicContact CB-CG1 3.56Å; L793-I872 HydrophobicContact CD1-CD1 4.41Å; L793-I872 HydrophobicContact CD1-CG1 4.16Å; L793-I872 HydrophobicContact CG-CG1 4.45Å |
| 794 | G | 89.3 | Confident | 91 | Very high | 2 Ų | 2 | 25.7 Ų | 25.7 | 2% | 0.021 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -62 | -39.6 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | L792 F797 S798 Q875 | L792-G794 PolarHBondContact O-N 3.04Å; G794-F797 PolarHBondContact O-N 3.08Å; G794-S798 VanDerWaalsContact O-CB 3.29Å; G794-S798 WeakPolarHBondContact O-CB 3.36Å; G794-S798 PolarHBondContact O-N 3.31Å; G794-S798 PolarHBondContact O-OG 3.17Å; G794-Q875 VanDerWaalsContact CA-OE1 3.27Å |
| 795 | L | 90.8 | Very high | 91 | Very high | 79.6667 Ų | 79.6667 | 25.7 Ų | 25.7 | 42% | 0.417 | 14% | 0.139 | S | C | . | . | H | α-helix | trans | -61.8 | -49.9 | 175.3 | -89.7 | 164.6 | 0 | 0 | 0 | 111.8 | V742 L792 L793 F797 S798 L799 | V742-L795 HydrophobicContact CG1-CB 3.96Å; V742-L795 HydrophobicContact CG1-CD2 3.89Å; V742-L795 HydrophobicContact CG1-CG 4.45Å; L792-L795 HydrophobicContact CD2-CD1 4.28Å; L792-L795 WeakPolarHBondContact O-CB 3.23Å; L792-L795 PolarHBondContact O-N 3.16Å; L793-L795 VanDerWaalsContact C-N 3.32Å; L793-L795 PolarHBondContact O-N 3.11Å; L795-F797 PolarHBondContact O-N 3.06Å; L795-S798 PolarHBondContact O-OG 3.21Å; L795-L799 HydrophobicContact CD2-CD1 4.1Å; L795-L799 WeakPolarHBondContact O-CB 3.43Å; L795-L799 PolarHBondContact O-N 2.88Å; L795-L799 VanDerWaalsContact O-N 3.15Å |
| 796 | V | 93.7 | Very high | 91 | Very high | 1 Ų | 1 | 29.3 Ų | 29.3 | 1% | 0.006 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -65.2 | -39.6 | 178.2 | 173.2 | 0 | 0 | 0 | 0 | 111.8 | L738 I739 V742 L788 L792 L793 I800 I801 | L738-V796 HydrophobicContact CB-CG1 4.04Å; L738-V796 HydrophobicContact CD1-CG1 4.01Å; I739-V796 HydrophobicContact CG1-CG2 3.83Å; V742-V796 HydrophobicContact CG2-CG2 4.45Å; L788-V796 HydrophobicContact CD2-CB 4.25Å; L788-V796 HydrophobicContact CD2-CG1 3.98Å; L788-V796 HydrophobicContact CD2-CG2 4.13Å; L792-V796 WeakPolarHBondContact O-CG2 3.26Å; L792-V796 PolarHBondContact O-N 3.26Å; L793-V796 PolarHBondContact O-N 3.17Å; V796-I800 WeakPolarHBondContact O-CB 3.29Å; V796-I800 PolarHBondContact O-N 3.4Å; V796-I801 HydrophobicContact CG1-CD1 4.31Å; V796-I801 HydrophobicContact CG1-CG1 4.04Å; V796-I801 PolarHBondContact O-N 3.06Å; V796-I801 VanDerWaalsContact O-N 3.13Å |
| 797 | F | 95.2 | Very high | 91.1 | Very high | 2 Ų | 2 | 33.9 Ų | 33.9 | 1% | 0.009 | 18% | 0.18 | C | C | . | . | I | π-helix | trans | -70.6 | -46.4 | -179.3 | -88 | -116.2 | 0 | 0 | 0 | 113 | V781 L784 L785 L793 G794 L795 L799 I801 I802 W816 I872 L876 | V781-F797 HydrophobicContact CG1-CE1 3.74Å; V781-F797 HydrophobicContact CG1-CZ 3.85Å; L784-F797 HydrophobicContact CB-CE2 4.37Å; L784-F797 HydrophobicContact CB-CZ 4.46Å; L785-F797 HydrophobicContact CD2-CE1 4.46Å; L785-F797 HydrophobicContact CD2-CE2 4.22Å; L785-F797 HydrophobicContact CD2-CZ 3.81Å; L785-F797 HydrophobicContact CG-CZ 3.99Å; L793-F797 HydrophobicContact CD2-CD2 4.45Å; L793-F797 HydrophobicContact CD2-CE2 4.1Å; L793-F797 WeakPolarHBondContact O-CB 3.31Å; L793-F797 VanDerWaalsContact O-CD2 3.23Å; L793-F797 WeakPolarHBondContact O-CD2 3.18Å; L793-F797 PolarHBondContact O-N 2.99Å; G794-F797 PolarHBondContact O-N 3.08Å; L795-F797 PolarHBondContact O-N 3.06Å; F797-L799 PolarHBondContact O-N 3.37Å; F797-I801 HydrophobicContact CB-CB 4.48Å; F797-I801 HydrophobicContact CD1-CB 4.24Å; F797-I801 HydrophobicContact CD1-CG2 4.27Å; F797-I801 HydrophobicContact CD2-CB 4.47Å; F797-I801 HydrophobicContact CD2-CG1 4.07Å; F797-I801 HydrophobicContact CE1-CG2 4.3Å; F797-I801 HydrophobicContact CE2-CG1 4.36Å; F797-I801 HydrophobicContact CG-CB 4.19Å; F797-I801 HydrophobicContact CG-CG1 4.21Å; F797-I801 PolarHBondContact O-N 2.93Å; F797-I802 HydrophobicContact CB-CD1 4.36Å; F797-I802 WeakPolarHBondContact O-CB 3.28Å; F797-I802 WeakPolarHBondContact O-CD1 3.36Å; F797-I802 VanDerWaalsContact O-CG1 3.3Å; F797-I802 WeakPolarHBondContact O-CG1 3.29Å; F797-I802 PolarHBondContact O-N 2.93Å; F797-W816 HydrophobicContact CD1-CZ3 4.45Å; F797-W816 HydrophobicContact CE1-CZ3 4.2Å; F797-I872 HydrophobicContact CB-CD1 3.89Å; F797-I872 HydrophobicContact CD1-CD1 3.44Å; F797-I872 HydrophobicContact CD2-CD1 3.8Å; F797-I872 HydrophobicContact CE1-CD1 3.79Å; F797-I872 HydrophobicContact CE2-CD1 4.11Å; F797-I872 HydrophobicContact CG-CD1 3.43Å; F797-I872 HydrophobicContact CZ-CD1 4.11Å; F797-L876 HydrophobicContact CB-CD1 4.19Å |
| 798 | S | 93.5 | Very high | 91.1 | Very high | 49 Ų | 49 | 30.7 Ų | 30.7 | 34% | 0.343 | 17% | 0.168 | S | C | . | . | I | π-helix | trans | -67.6 | -36.2 | -178.6 | 55.7 | 0 | 0 | 0 | 0 | 113.5 | G794 L795 P803 | G794-S798 VanDerWaalsContact O-CB 3.29Å; G794-S798 WeakPolarHBondContact O-CB 3.36Å; G794-S798 PolarHBondContact O-N 3.31Å; G794-S798 PolarHBondContact O-OG 3.17Å; L795-S798 PolarHBondContact O-OG 3.21Å; S798-P803 WeakPolarHBondContact O-CD 3.37Å; S798-P803 WeakPolarHBondContact O-CG 3.43Å |
| 799 | L | 94.2 | Very high | 90.8 | Very high | 70.3333 Ų | 70.3333 | 33.7 Ų | 33.7 | 37% | 0.368 | 20% | 0.201 | S | C | . | . | I | π-helix | trans | -95.3 | -24.6 | -174.7 | -65.4 | 171 | 0 | 0 | 0 | 114 | V742 I750 L795 F797 | V742-L799 HydrophobicContact CG1-CD1 3.69Å; V742-L799 HydrophobicContact CG2-CB 4.2Å; V742-L799 HydrophobicContact CG2-CD1 4.42Å; I750-L799 HydrophobicContact CD1-CD1 4.43Å; I750-L799 HydrophobicContact CG2-CB 4.45Å; I750-L799 WeakPolarHBondContact CG2-O 3.32Å; L795-L799 HydrophobicContact CD2-CD1 4.1Å; L795-L799 WeakPolarHBondContact O-CB 3.43Å; L795-L799 PolarHBondContact O-N 2.88Å; L795-L799 VanDerWaalsContact O-N 3.15Å; F797-L799 PolarHBondContact O-N 3.37Å |
| 800 | I | 95.2 | Very high | 90.8 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 20% | 0.204 | C | C | . | . | I | π-helix | trans | -124.6 | -59.3 | -177.7 | -60.5 | -178.5 | 0 | 0 | 0 | 113 | L738 V742 I750 A753 I757 V796 I802 P803 S804 | L738-I800 HydrophobicContact CB-CD1 4.23Å; L738-I800 HydrophobicContact CD1-CG2 4.38Å; L738-I800 HydrophobicContact CD2-CD1 4.06Å; L738-I800 HydrophobicContact CD2-CG2 4.23Å; V742-I800 HydrophobicContact CG2-CD1 3.6Å; V742-I800 HydrophobicContact CG2-CG1 3.93Å; I750-I800 HydrophobicContact CG2-CG1 4.03Å; A753-I800 HydrophobicContact CB-CD1 3.97Å; I757-I800 HydrophobicContact CD1-CG2 3.6Å; I757-I800 VanDerWaalsContact CD1-CG2 3.47Å; V796-I800 WeakPolarHBondContact O-CB 3.29Å; V796-I800 PolarHBondContact O-N 3.4Å; I800-I802 PolarHBondContact O-N 3.12Å; I800-P803 WeakPolarHBondContact O-CD 3.23Å; I800-S804 VanDerWaalsContact O-CB 3.27Å; I800-S804 WeakPolarHBondContact O-CB 3.28Å; I800-S804 PolarHBondContact O-N 3.18Å; I800-S804 PolarHBondContact O-OG 3.13Å |
| 801 | I | 95.2 | Very high | 90.8 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 19% | 0.194 | C | C | . | . | I | π-helix | trans | -65 | -48 | -166.3 | -52.6 | -58.1 | 0 | 0 | 0 | 112.1 | L738 I757 F780 V781 L784 V796 F797 S804 L805 | L738-I801 HydrophobicContact CD1-CD1 3.79Å; I757-I801 HydrophobicContact CD1-CD1 4.45Å; F780-I801 HydrophobicContact CE1-CD1 3.98Å; F780-I801 HydrophobicContact CZ-CD1 4.44Å; V781-I801 HydrophobicContact CG2-CG2 4.26Å; L784-I801 HydrophobicContact CD1-CD1 3.43Å; L784-I801 VanDerWaalsContact CD1-CD1 3.43Å; L784-I801 HydrophobicContact CD1-CG1 3.97Å; V796-I801 HydrophobicContact CG1-CD1 4.31Å; V796-I801 HydrophobicContact CG1-CG1 4.04Å; V796-I801 PolarHBondContact O-N 3.06Å; V796-I801 VanDerWaalsContact O-N 3.13Å; F797-I801 HydrophobicContact CB-CB 4.48Å; F797-I801 HydrophobicContact CD1-CB 4.24Å; F797-I801 HydrophobicContact CD1-CG2 4.27Å; F797-I801 HydrophobicContact CD2-CB 4.47Å; F797-I801 HydrophobicContact CD2-CG1 4.07Å; F797-I801 HydrophobicContact CE1-CG2 4.3Å; F797-I801 HydrophobicContact CE2-CG1 4.36Å; F797-I801 HydrophobicContact CG-CB 4.19Å; F797-I801 HydrophobicContact CG-CG1 4.21Å; F797-I801 PolarHBondContact O-N 2.93Å; I801-S804 PolarHBondContact O-N 3.3Å; I801-L805 HydrophobicContact CG2-CD1 3.79Å; I801-L805 HydrophobicContact CG2-CG 4.4Å; I801-L805 WeakPolarHBondContact O-CB 3.37Å; I801-L805 WeakPolarHBondContact O-CG 3.36Å; I801-L805 PolarHBondContact O-N 3.05Å |
| 802 | I | 94.3 | Very high | 91 | Very high | 17 Ų | 17 | 32.3 Ų | 32.3 | 9% | 0.087 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -67.5 | -50.1 | -178.3 | -60.2 | 160.1 | 0 | 0 | 0 | 111 | F797 I800 S804 L805 E806 W816 L876 W878 | F797-I802 HydrophobicContact CB-CD1 4.36Å; F797-I802 WeakPolarHBondContact O-CB 3.28Å; F797-I802 WeakPolarHBondContact O-CD1 3.36Å; F797-I802 VanDerWaalsContact O-CG1 3.3Å; F797-I802 WeakPolarHBondContact O-CG1 3.29Å; F797-I802 PolarHBondContact O-N 2.93Å; I800-I802 PolarHBondContact O-N 3.12Å; I802-S804 VanDerWaalsContact C-N 3.27Å; I802-S804 PolarHBondContact O-N 3.23Å; I802-L805 PolarHBondContact O-N 3.13Å; I802-E806 VanDerWaalsContact O-CB 3.31Å; I802-E806 WeakPolarHBondContact O-CB 3.26Å; I802-E806 PolarHBondContact O-N 3.34Å; I802-W816 HydrophobicContact CG1-CD2 4.23Å; I802-W816 HydrophobicContact CG1-CG 4.36Å; I802-W816 HydrophobicContact CG1-CZ2 4.44Å; I802-L876 HydrophobicContact CD1-CD1 4.38Å; I802-W878 HydrophobicContact CD1-CH2 3.64Å; I802-W878 HydrophobicContact CD1-CZ2 3.4Å; I802-W878 VanDerWaalsContact CD1-CZ2 3.43Å; I802-W878 HydrophobicContact CG1-CH2 4.41Å; I802-W878 HydrophobicContact CG1-CZ2 4.47Å |
| 803 | P | 94.2 | Very high | 91.1 | Very high | 41.25 Ų | 41.25 | 33.1 Ų | 33.1 | 27% | 0.268 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -55 | -40.4 | 173.8 | -27.9 | 35.8 | 0 | 0 | 0 | 113.2 | S798 I800 L807 | S798-P803 WeakPolarHBondContact O-CD 3.37Å; S798-P803 WeakPolarHBondContact O-CG 3.43Å; I800-P803 WeakPolarHBondContact O-CD 3.23Å; P803-L807 VanDerWaalsContact O-CB 3.24Å; P803-L807 WeakPolarHBondContact O-CB 3.27Å; P803-L807 WeakPolarHBondContact O-CD1 3.33Å; P803-L807 VanDerWaalsContact O-CG 3.22Å; P803-L807 WeakPolarHBondContact O-CG 3.35Å; P803-L807 PolarHBondContact O-N 3.14Å |
| 804 | S | 93.9 | Very high | 91 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -68.3 | -42.5 | -179 | -54.1 | 0 | 0 | 0 | 0 | 112.7 | C754 I757 T758 I800 I801 I802 L807 S808 | C754-S804 VanDerWaalsContact CA-OG 3.28Å; C754-S804 WeakPolarHBondContact CA-OG 3.38Å; C754-S804 PolarHBondContact O-OG 3.19Å; I757-S804 VanDerWaalsContact CG2-CB 3.47Å; T758-S804 WeakPolarHBondContact OG1-CA 3.33Å; T758-S804 PolarHBondContact OG1-O 3.39Å; I800-S804 VanDerWaalsContact O-CB 3.27Å; I800-S804 WeakPolarHBondContact O-CB 3.28Å; I800-S804 PolarHBondContact O-N 3.18Å; I800-S804 PolarHBondContact O-OG 3.13Å; I801-S804 PolarHBondContact O-N 3.3Å; I802-S804 VanDerWaalsContact C-N 3.27Å; I802-S804 PolarHBondContact O-N 3.23Å; S804-L807 PolarHBondContact O-N 2.93Å; S804-S808 WeakPolarHBondContact O-CB 3.34Å; S804-S808 PolarHBondContact O-N 2.94Å; S804-S808 VanDerWaalsContact O-N 3.07Å; S804-S808 PolarHBondContact O-OG 3.25Å |
| 805 | L | 92.1 | Very high | 91.1 | Very high | 0.5 Ų | 0.5 | 38.3 Ų | 38.3 | 0% | 0.003 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -73.7 | -30.9 | 179.9 | -68.2 | 177.1 | 0 | 0 | 0 | 112.3 | F761 W777 V781 I801 I802 S808 G809 I810 R811 W816 | F761-L805 HydrophobicContact CD2-CD2 4.03Å; F761-L805 HydrophobicContact CE2-CD2 4.35Å; F761-L805 HydrophobicContact CG-CD2 4.43Å; W777-L805 HydrophobicContact CB-CD2 3.97Å; W777-L805 HydrophobicContact CE3-CD1 3.93Å; W777-L805 HydrophobicContact CZ3-CD1 4.38Å; V781-L805 HydrophobicContact CG2-CD1 3.88Å; I801-L805 HydrophobicContact CG2-CD1 3.79Å; I801-L805 HydrophobicContact CG2-CG 4.4Å; I801-L805 WeakPolarHBondContact O-CB 3.37Å; I801-L805 WeakPolarHBondContact O-CG 3.36Å; I801-L805 PolarHBondContact O-N 3.05Å; I802-L805 PolarHBondContact O-N 3.13Å; L805-S808 VanDerWaalsContact CA-OG 3.31Å; L805-S808 WeakPolarHBondContact CA-OG 3.26Å; L805-S808 PolarHBondContact O-N 3.1Å; L805-S808 PolarHBondContact O-OG 3.22Å; L805-G809 PolarHBondContact O-N 3.14Å; L805-I810 HydrophobicContact CD2-CB 4.45Å; L805-I810 HydrophobicContact CD2-CD1 4.23Å; L805-I810 HydrophobicContact CD2-CG2 4.42Å; L805-I810 PolarHBondContact O-N 3.25Å; L805-R811 PolarHBondContact O-N 3.14Å; L805-R811 VanDerWaalsContact O-N 3.14Å; L805-W816 HydrophobicContact CB-CZ2 4.47Å; L805-W816 HydrophobicContact CD1-CH2 3.86Å; L805-W816 HydrophobicContact CD1-CZ2 3.69Å |
| 806 | E | 91.7 | Very high | 91.2 | Very high | 77.25 Ų | 77.25 | 34.6 Ų | 34.6 | 36% | 0.361 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -69.4 | -46.7 | 171.5 | -178.2 | 162.3 | -122.5 | 0 | 0 | 111.6 | I802 S808 G809 R811 C812 S813 | I802-E806 VanDerWaalsContact O-CB 3.31Å; I802-E806 WeakPolarHBondContact O-CB 3.26Å; I802-E806 PolarHBondContact O-N 3.34Å; E806-S808 VanDerWaalsContact C-N 3.27Å; E806-S808 PolarHBondContact O-N 3.11Å; E806-G809 PolarHBondContact O-N 3.17Å; E806-R811 WeakPolarHBondContact CA-O 3.25Å; E806-C812 WeakPolarHBondContact OE1-CA 3.32Å; E806-C812 PolarHBondContact OE1-SG 2.87Å; E806-S813 VanDerWaalsContact CD-OG 3.32Å; E806-S813 VanDerWaalsContact OE1-CB 3.28Å; E806-S813 WeakPolarHBondContact OE1-CB 3.21Å; E806-S813 PolarHBondContact OE1-N 3.16Å; E806-S813 VanDerWaalsContact OE1-N 3.15Å; E806-S813 PolarHBondContact OE1-OG 3Å; E806-S813 VanDerWaalsContact OE2-CB 3.24Å; E806-S813 WeakPolarHBondContact OE2-CB 3.41Å; E806-S813 PolarHBondContact OE2-OG 3.22Å; E806-S813 VanDerWaalsContact OE2-OG 3.07Å |
| 807 | L | 89.6 | Confident | 91 | Very high | 123.75 Ų | 123.75 | 36.3 Ų | 36.3 | 65% | 0.648 | 22% | 0.221 | S | C | * | . | H | α-helix | trans | -63.6 | -28.5 | 175.6 | -73.2 | 170.9 | 0 | 0 | 0 | 113 | T758 P803 S804 G809 | T758-L807 HydrophobicContact CG2-CB 3.83Å; P803-L807 VanDerWaalsContact O-CB 3.24Å; P803-L807 WeakPolarHBondContact O-CB 3.27Å; P803-L807 WeakPolarHBondContact O-CD1 3.33Å; P803-L807 VanDerWaalsContact O-CG 3.22Å; P803-L807 WeakPolarHBondContact O-CG 3.35Å; P803-L807 PolarHBondContact O-N 3.14Å; S804-L807 PolarHBondContact O-N 2.93Å; L807-G809 VanDerWaalsContact C-N 3.27Å; L807-G809 PolarHBondContact O-N 3.14Å |
| 808 | S | 86.6 | Confident | 90.8 | Very high | 16.25 Ų | 16.25 | 41.4 Ų | 41.4 | 11% | 0.114 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79 | -4.5 | 173 | 67.2 | 0 | 0 | 0 | 0 | 114.1 | S804 L805 E806 I810 | S804-S808 WeakPolarHBondContact O-CB 3.34Å; S804-S808 PolarHBondContact O-N 2.94Å; S804-S808 VanDerWaalsContact O-N 3.07Å; S804-S808 PolarHBondContact O-OG 3.25Å; L805-S808 VanDerWaalsContact CA-OG 3.31Å; L805-S808 WeakPolarHBondContact CA-OG 3.26Å; L805-S808 PolarHBondContact O-N 3.1Å; L805-S808 PolarHBondContact O-OG 3.22Å; E806-S808 VanDerWaalsContact C-N 3.27Å; E806-S808 PolarHBondContact O-N 3.11Å; S808-I810 VanDerWaalsContact C-N 3.3Å; S808-I810 PolarHBondContact O-N 3.02Å; S808-I810 VanDerWaalsContact OG-CD1 3.28Å; S808-I810 WeakPolarHBondContact OG-CD1 3.38Å; S808-I810 VanDerWaalsContact OG-CG1 3.28Å; S808-I810 WeakPolarHBondContact OG-CG1 3.21Å |
| 809 | G | 84 | Confident | 90.7 | Very high | 69.25 Ų | 69.25 | 39.7 Ų | 39.7 | 71% | 0.714 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 73.5 | 16.1 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | L805 E806 L807 | L805-G809 PolarHBondContact O-N 3.14Å; E806-G809 PolarHBondContact O-N 3.17Å; L807-G809 VanDerWaalsContact C-N 3.27Å; L807-G809 PolarHBondContact O-N 3.14Å |
| 810 | I | 85.9 | Confident | 90.5 | Very high | 43.5 Ų | 43.5 | 40.4 Ų | 40.4 | 22% | 0.223 | 24% | 0.235 | C | C | . | . | S | Bend | trans | -86.1 | -49.1 | -173 | -73.3 | 179 | 0 | 0 | 0 | 112.4 | F761 W777 L805 S808 | F761-I810 HydrophobicContact CB-CD1 3.73Å; F761-I810 HydrophobicContact CD1-CD1 4.47Å; F761-I810 HydrophobicContact CG-CD1 4.26Å; W777-I810 HydrophobicContact CB-CD1 4.25Å; W777-I810 HydrophobicContact CB-CG2 4.45Å; W777-I810 VanDerWaalsContact CD1-CG2 3.45Å; W777-I810 HydrophobicContact CD2-CG2 3.46Å; W777-I810 VanDerWaalsContact CD2-CG2 3.46Å; W777-I810 HydrophobicContact CE3-CG2 4.16Å; W777-I810 HydrophobicContact CG-CD1 4.23Å; W777-I810 HydrophobicContact CG-CG2 3.59Å; W777-I810 HydrophobicContact CH2-CG2 4.49Å; W777-I810 HydrophobicContact CZ2-CG2 3.95Å; W777-I810 VanDerWaalsContact NE1-CG2 3.3Å; L805-I810 HydrophobicContact CD2-CB 4.45Å; L805-I810 HydrophobicContact CD2-CD1 4.23Å; L805-I810 HydrophobicContact CD2-CG2 4.42Å; L805-I810 PolarHBondContact O-N 3.25Å; S808-I810 VanDerWaalsContact C-N 3.3Å; S808-I810 PolarHBondContact O-N 3.02Å; S808-I810 VanDerWaalsContact OG-CD1 3.28Å; S808-I810 WeakPolarHBondContact OG-CD1 3.38Å; S808-I810 VanDerWaalsContact OG-CG1 3.28Å; S808-I810 WeakPolarHBondContact OG-CG1 3.21Å |
| 811 | R | 88 | Confident | 90.1 | Very high | 5.25 Ų | 5.25 | 44.2 Ų | 44.2 | 2% | 0.02 | 26% | 0.262 | C | S | . | . | S | Bend | trans | -148.8 | 127.1 | 178.4 | -163.3 | 176.7 | -166.4 | -176.7 | 4.4 | 110.8 | W777 L805 E806 S815 W816 D819 K820 D822 | W777-R811 HydrophobicContact CH2-CB 4.45Å; L805-R811 PolarHBondContact O-N 3.14Å; L805-R811 VanDerWaalsContact O-N 3.14Å; E806-R811 WeakPolarHBondContact CA-O 3.25Å; R811-S815 PolarHBondContact NH2-O 3.49Å; R811-W816 HydrophobicContact CB-CZ2 4.44Å; R811-W816 HydrophobicContact CG-CZ2 4.4Å; R811-D819 IonicContact CZ-OD1 3.25Å; R811-D819 IonicContact NH1-OD1 3.14Å; R811-D819 PolarHBondContact NH1-OD1 3.27Å; R811-D819 IonicContact NH2-OD1 2.99Å; R811-D819 PolarHBondContact NH2-OD1 3.11Å; R811-K820 PolarHBondContact NH2-O 3.06Å; R811-D822 IonicContact CZ-OD1 3.49Å; R811-D822 IonicContact NE-OD1 3.03Å; R811-D822 PolarHBondContact NE-OD1 3.21Å; R811-D822 IonicContact NE-OD2 3.4Å; R811-D822 IonicContact NH1-OD1 3.94Å; R811-D822 PolarHBondContact NH1-OD1 3.01Å; R811-D822 IonicContact NH2-OD1 3.08Å; R811-D822 PolarHBondContact NH2-OD1 3.01Å |
| 812 | C | 87.1 | Confident | 89.7 | Confident | 54 Ų | 54 | 46.8 Ų | 46.8 | 37% | 0.365 | 28% | 0.276 | S | S | . | . | trans | -68.4 | 143 | -179.7 | -173.8 | 0 | 0 | 0 | 0 | 111.4 | E806 I814 S815 W816 | E806-C812 WeakPolarHBondContact OE1-CA 3.32Å; E806-C812 PolarHBondContact OE1-SG 2.87Å; C812-I814 HydrophobicContact CB-CG1 4.41Å; C812-I814 PolarHBondContact O-N 3.09Å; C812-I814 VanDerWaalsContact O-N 3.16Å; C812-S815 WeakPolarHBondContact O-CB 3.32Å; C812-S815 PolarHBondContact O-N 3.17Å; C812-W816 VanDerWaalsContact O-CD1 3.26Å; C812-W816 PolarHBondContact O-NE1 3.42Å | ||
| 813 | S | 87.9 | Confident | 89.2 | Confident | 42.5 Ų | 42.5 | 46.5 Ų | 46.5 | 30% | 0.297 | 27% | 0.274 | S | S | . | . | G | 310 helix | trans | -53.4 | -36 | 178.8 | 53 | 0 | 0 | 0 | 0 | 113.1 | E806 S815 W816 P817 | E806-S813 VanDerWaalsContact CD-OG 3.32Å; E806-S813 VanDerWaalsContact OE1-CB 3.28Å; E806-S813 WeakPolarHBondContact OE1-CB 3.21Å; E806-S813 PolarHBondContact OE1-N 3.16Å; E806-S813 VanDerWaalsContact OE1-N 3.15Å; E806-S813 PolarHBondContact OE1-OG 3Å; E806-S813 VanDerWaalsContact OE2-CB 3.24Å; E806-S813 WeakPolarHBondContact OE2-CB 3.41Å; E806-S813 PolarHBondContact OE2-OG 3.22Å; E806-S813 VanDerWaalsContact OE2-OG 3.07Å; S813-S815 VanDerWaalsContact C-N 3.29Å; S813-S815 PolarHBondContact O-N 3.05Å; S813-W816 PolarHBondContact O-N 3.21Å; S813-P817 WeakPolarHBondContact O-CD 3.33Å |
| 814 | I | 89 | Confident | 88.4 | Confident | 106 Ų | 106 | 47.5 Ų | 47.5 | 54% | 0.544 | 28% | 0.282 | S | S | . | . | G | 310 helix | trans | -74.4 | -10.9 | -180 | 52.6 | 174.1 | 0 | 0 | 0 | 113.9 | C812 P817 K820 | C812-I814 HydrophobicContact CB-CG1 4.41Å; C812-I814 PolarHBondContact O-N 3.09Å; C812-I814 VanDerWaalsContact O-N 3.16Å; I814-P817 WeakPolarHBondContact O-CD 3.18Å; I814-K820 VanDerWaalsContact O-CE 3.27Å; I814-K820 WeakPolarHBondContact O-CE 3.4Å; I814-K820 PolarHBondContact O-NZ 3.4Å |
| 815 | S | 90.9 | Very high | 87.3 | Confident | 6.75 Ų | 6.75 | 48.3 Ų | 48.3 | 5% | 0.047 | 29% | 0.286 | C | S | . | . | G | 310 helix | trans | -82.2 | -23.7 | 178.4 | -66.3 | 0 | 0 | 0 | 0 | 113 | R811 C812 S813 D819 K820 D822 | R811-S815 PolarHBondContact NH2-O 3.49Å; C812-S815 WeakPolarHBondContact O-CB 3.32Å; C812-S815 PolarHBondContact O-N 3.17Å; S813-S815 VanDerWaalsContact C-N 3.29Å; S813-S815 PolarHBondContact O-N 3.05Å; S815-D819 VanDerWaalsContact O-CA 3.29Å; S815-D819 WeakPolarHBondContact O-CA 3.36Å; S815-D819 PolarHBondContact O-N 3.05Å; S815-K820 PolarHBondContact O-N 2.93Å; S815-D822 WeakPolarHBondContact CB-OD2 3.29Å; S815-D822 PolarHBondContact OG-OD2 3.18Å |
| 816 | W | 92.8 | Very high | 85.7 | Confident | 1 Ų | 1 | 54.6 Ų | 54.6 | 0% | 0.004 | 32% | 0.317 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -49.9 | -176.6 | -59.7 | 79.4 | 0 | 0 | 0 | 113.8 | W777 V781 F797 I802 L805 R811 C812 S813 L818 D819 L837 W878 Y881 | W777-W816 HydrophobicContact CZ3-CH2 4.29Å; W777-W816 HydrophobicContact CZ3-CZ2 4.48Å; V781-W816 HydrophobicContact CG1-CH2 4.35Å; V781-W816 HydrophobicContact CG1-CZ3 4.24Å; V781-W816 HydrophobicContact CG2-CH2 4.09Å; F797-W816 HydrophobicContact CD1-CZ3 4.45Å; F797-W816 HydrophobicContact CE1-CZ3 4.2Å; I802-W816 HydrophobicContact CG1-CD2 4.23Å; I802-W816 HydrophobicContact CG1-CG 4.36Å; I802-W816 HydrophobicContact CG1-CZ2 4.44Å; L805-W816 HydrophobicContact CB-CZ2 4.47Å; L805-W816 HydrophobicContact CD1-CH2 3.86Å; L805-W816 HydrophobicContact CD1-CZ2 3.69Å; R811-W816 HydrophobicContact CB-CZ2 4.44Å; R811-W816 HydrophobicContact CG-CZ2 4.4Å; C812-W816 VanDerWaalsContact O-CD1 3.26Å; C812-W816 PolarHBondContact O-NE1 3.42Å; S813-W816 PolarHBondContact O-N 3.21Å; W816-L818 VanDerWaalsContact C-N 3.28Å; W816-L818 PolarHBondContact O-N 3.19Å; W816-L818 VanDerWaalsContact O-N 3.16Å; W816-D819 PolarHBondContact O-N 3.15Å; W816-D819 VanDerWaalsContact O-N 3.09Å; W816-L837 HydrophobicContact CE3-CD2 4.24Å; W816-L837 HydrophobicContact CH2-CD2 4.23Å; W816-L837 HydrophobicContact CZ3-CD2 3.66Å; W816-W878 HydrophobicContact CB-CD2 4.44Å; W816-W878 HydrophobicContact CB-CE3 4.36Å; W816-W878 HydrophobicContact CB-CH2 3.55Å; W816-W878 VanDerWaalsContact CB-CH2 3.47Å; W816-W878 HydrophobicContact CB-CZ2 3.62Å; W816-W878 HydrophobicContact CB-CZ3 3.94Å; W816-W878 AromaticContact CD2-CH2 3.96Å; W816-W878 HydrophobicContact CD2-CH2 4.04Å; W816-W878 HydrophobicContact CD2-CZ3 4.48Å; W816-W878 AromaticContact CE3-CH2 3.74Å; W816-W878 HydrophobicContact CE3-CH2 3.74Å; W816-W878 AromaticContact CE3-CZ3 3.9Å; W816-W878 HydrophobicContact CE3-CZ3 3.9Å; W816-W878 AromaticContact CG-CH2 3.98Å; W816-W878 HydrophobicContact CG-CH2 4.02Å; W816-W878 HydrophobicContact CG-CZ2 4.33Å; W816-Y881 WeakPolarHBondContact O-CE2 3.32Å |
| 817 | P | 90.6 | Very high | 83.9 | Confident | 36.5 Ų | 36.5 | 55.3 Ų | 55.3 | 24% | 0.237 | 32% | 0.323 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -31.5 | -172.2 | -21.9 | 33 | 0 | 0 | 0 | 114.6 | S813 I814 W878 P879 A880 | S813-P817 WeakPolarHBondContact O-CD 3.33Å; I814-P817 WeakPolarHBondContact O-CD 3.18Å; P817-W878 HydrophobicContact CB-CB 4.39Å; P817-W878 HydrophobicContact CB-CG 4.02Å; P817-W878 HydrophobicContact CG-CG 4.4Å; P817-W878 CarbonylContact O-C 3.56Å; P817-P879 VanDerWaalsContact O-CD 3.25Å; P817-P879 WeakPolarHBondContact O-CD 3.4Å; P817-A880 WeakPolarHBondContact O-CB 3.45Å; P817-A880 PolarHBondContact O-N 3.24Å; P817-A880 VanDerWaalsContact O-N 3.15Å |
| 818 | L | 89.9 | Confident | 82 | Confident | 109 Ų | 109 | 54.8 Ų | 54.8 | 57% | 0.571 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.5 | 0.7 | -179.3 | -63 | 174.6 | 0 | 0 | 0 | 112.9 | W816 K820 P879 A880 | W816-L818 VanDerWaalsContact C-N 3.28Å; W816-L818 PolarHBondContact O-N 3.19Å; W816-L818 VanDerWaalsContact O-N 3.16Å; L818-K820 VanDerWaalsContact C-N 3.35Å; L818-K820 HydrophobicContact CB-CG 4.34Å; L818-K820 PolarHBondContact O-N 3.31Å; L818-P879 HydrophobicContact CD2-CG 4.05Å; L818-A880 VanDerWaalsContact C-CB 3.42Å |
| 819 | D | 91.7 | Very high | 80.4 | Confident | 13.5 Ų | 13.5 | 61.6 Ų | 61.6 | 7% | 0.072 | 36% | 0.357 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 36.7 | 63.4 | -166.5 | -164.7 | 37.9 | 0 | 0 | 0 | 113.5 | R811 S815 W816 S821 S836 L837 L838 A880 Y881 | R811-D819 IonicContact CZ-OD1 3.25Å; R811-D819 IonicContact NH1-OD1 3.14Å; R811-D819 PolarHBondContact NH1-OD1 3.27Å; R811-D819 IonicContact NH2-OD1 2.99Å; R811-D819 PolarHBondContact NH2-OD1 3.11Å; S815-D819 VanDerWaalsContact O-CA 3.29Å; S815-D819 WeakPolarHBondContact O-CA 3.36Å; S815-D819 PolarHBondContact O-N 3.05Å; W816-D819 PolarHBondContact O-N 3.15Å; W816-D819 VanDerWaalsContact O-N 3.09Å; D819-S821 PolarHBondContact O-N 3.15Å; D819-S836 VanDerWaalsContact CG-CB 3.5Å; D819-S836 VanDerWaalsContact O-CB 3.26Å; D819-S836 WeakPolarHBondContact O-CB 3.44Å; D819-S836 WeakPolarHBondContact OD2-CB 3.29Å; D819-S836 PolarHBondContact OD2-OG 3.02Å; D819-L837 WeakPolarHBondContact OD1-CB 3.24Å; D819-L837 PolarHBondContact OD1-N 3.14Å; D819-L837 PolarHBondContact OD2-N 2.93Å; D819-L838 HydrophobicContact CB-CD1 3.91Å; D819-L838 HydrophobicContact CB-CG 4.21Å; D819-L838 PolarHBondContact OD1-N 3.36Å; D819-L838 VanDerWaalsContact OD2-CB 3.23Å; D819-L838 WeakPolarHBondContact OD2-CB 3.38Å; D819-L838 WeakPolarHBondContact OD2-CD1 3.5Å; D819-L838 VanDerWaalsContact OD2-CG 3.23Å; D819-L838 WeakPolarHBondContact OD2-CG 3.36Å; D819-L838 PolarHBondContact OD2-N 3.1Å; D819-A880 HydrophobicContact CB-CB 3.94Å; D819-Y881 HydrophobicContact CB-CD2 4.46Å; D819-Y881 HydrophobicContact CB-CE2 3.93Å |
| 820 | K | 89.5 | Confident | 78.7 | Confident | 85.5 Ų | 85.5 | 65.3 Ų | 65.3 | 37% | 0.372 | 36% | 0.36 | S | S | . | . | trans | -60.6 | 141.3 | -179.3 | -65.5 | -174.8 | -175 | 175.8 | 0 | 110.6 | R811 I814 S815 L818 D822 | R811-K820 PolarHBondContact NH2-O 3.06Å; I814-K820 VanDerWaalsContact O-CE 3.27Å; I814-K820 WeakPolarHBondContact O-CE 3.4Å; I814-K820 PolarHBondContact O-NZ 3.4Å; S815-K820 PolarHBondContact O-N 2.93Å; L818-K820 VanDerWaalsContact C-N 3.35Å; L818-K820 HydrophobicContact CB-CG 4.34Å; L818-K820 PolarHBondContact O-N 3.31Å; K820-D822 VanDerWaalsContact C-N 3.3Å; K820-D822 PolarHBondContact O-N 3.25Å | ||
| 821 | S | 87.4 | Confident | 77.2 | Confident | 78.5 Ų | 78.5 | 67.9 Ų | 67.9 | 55% | 0.549 | 38% | 0.382 | S | S | . | . | S | Bend | trans | -76.3 | 77.4 | 170.2 | 0.8 | 0 | 0 | 0 | 0 | 110.2 | D819 H834 Y835 | D819-S821 PolarHBondContact O-N 3.15Å; S821-H834 VanDerWaalsContact O-CB 3.27Å; S821-H834 WeakPolarHBondContact O-CB 3.35Å; S821-Y835 CarbonylContact C-O 3.56Å; S821-Y835 VanDerWaalsContact CA-O 3.32Å; S821-Y835 WeakPolarHBondContact CA-O 3.29Å |
| 822 | D | 85.7 | Confident | 75.9 | Confident | 55 Ų | 55 | 72.2 Ų | 72.2 | 29% | 0.294 | 41% | 0.413 | S | S | . | . | trans | -116.1 | -6.6 | -177.9 | 60.5 | -12.5 | 0 | 0 | 0 | 113.9 | R811 S815 K820 S824 H834 Y835 | R811-D822 IonicContact CZ-OD1 3.49Å; R811-D822 IonicContact NE-OD1 3.03Å; R811-D822 PolarHBondContact NE-OD1 3.21Å; R811-D822 IonicContact NE-OD2 3.4Å; R811-D822 IonicContact NH1-OD1 3.94Å; R811-D822 PolarHBondContact NH1-OD1 3.01Å; R811-D822 IonicContact NH2-OD1 3.08Å; R811-D822 PolarHBondContact NH2-OD1 3.01Å; S815-D822 WeakPolarHBondContact CB-OD2 3.29Å; S815-D822 PolarHBondContact OG-OD2 3.18Å; K820-D822 VanDerWaalsContact C-N 3.3Å; K820-D822 PolarHBondContact O-N 3.25Å; D822-S824 PolarHBondContact O-N 3.46Å; D822-H834 PolarHBondContact O-ND1 2.95Å; D822-Y835 PolarHBondContact N-O 3.2Å | ||
| 823 | I | 84.5 | Confident | 75.3 | Confident | 12.25 Ų | 12.25 | 73.3 Ų | 73.3 | 6% | 0.063 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 112.8 | -175.5 | -52.8 | 169.5 | 0 | 0 | 0 | 110.1 | W777 I778 L825 H834 Y835 L837 I840 | W777-I823 HydrophobicContact CH2-CD1 3.68Å; W777-I823 HydrophobicContact CH2-CG1 4.18Å; W777-I823 HydrophobicContact CZ2-CD1 3.95Å; W777-I823 HydrophobicContact CZ2-CG1 4.1Å; W777-I823 HydrophobicContact CZ2-CG2 4.22Å; I778-I823 HydrophobicContact CD1-CG2 3.99Å; I823-L825 HydrophobicContact CG2-CD2 4.38Å; I823-H834 CarbonylContact O-C 3.59Å; I823-H834 WeakPolarHBondContact O-CA 3.35Å; I823-Y835 VanDerWaalsContact CB-O 3.32Å; I823-Y835 WeakPolarHBondContact CB-O 3.39Å; I823-Y835 PolarHBondContact N-O 3.14Å; I823-Y835 PolarHBondContact O-N 3Å; I823-L837 HydrophobicContact CD1-CB 3.89Å; I823-L837 HydrophobicContact CD1-CD1 3.88Å; I823-L837 HydrophobicContact CD1-CG 4.44Å; I823-I840 HydrophobicContact CB-CD1 4Å; I823-I840 HydrophobicContact CD1-CD1 3.78Å; I823-I840 HydrophobicContact CG1-CD1 4.44Å; I823-I840 HydrophobicContact CG2-CD1 3.7Å |
| 824 | S | 77.4 | Confident | 75 | Confident | 60.5 Ų | 60.5 | 75.8 Ų | 75.8 | 42% | 0.423 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 113.5 | 173.3 | 56.8 | 0 | 0 | 0 | 0 | 111.2 | D822 | D822-S824 PolarHBondContact O-N 3.46Å |
| 825 | L | 71.9 | Confident | 74.9 | Confident | 17.75 Ų | 17.75 | 72.2 Ų | 72.2 | 9% | 0.093 | 40% | 0.401 | C | S | . | . | trans | -87.7 | 114.5 | 172 | -63.6 | 174.3 | 0 | 0 | 0 | 109 | N775 I778 I823 N827 Y835 I840 E845 L846 L849 | N775-L825 WeakPolarHBondContact ND2-CD2 3.38Å; I778-L825 HydrophobicContact CD1-CD2 4.08Å; I823-L825 HydrophobicContact CG2-CD2 4.38Å; L825-N827 VanDerWaalsContact C-N 3.27Å; L825-N827 PolarHBondContact O-N 3.12Å; L825-Y835 HydrophobicContact CB-CD2 4.18Å; L825-Y835 HydrophobicContact CB-CE2 4.06Å; L825-Y835 HydrophobicContact CD1-CD2 3.79Å; L825-Y835 HydrophobicContact CD1-CE2 3.98Å; L825-Y835 HydrophobicContact CD1-CG 4.33Å; L825-Y835 HydrophobicContact CG-CD2 3.9Å; L825-Y835 HydrophobicContact CG-CE2 4.22Å; L825-I840 HydrophobicContact CD1-CD1 4.18Å; L825-I840 HydrophobicContact CD1-CG1 4.19Å; L825-I840 HydrophobicContact CD2-CD1 4.32Å; L825-I840 HydrophobicContact CG-CD1 4.28Å; L825-E845 HydrophobicContact CD1-CB 4.16Å; L825-E845 HydrophobicContact CD1-CG 4.32Å; L825-L846 HydrophobicContact CD1-CB 4.35Å; L825-L846 HydrophobicContact CD1-CD1 4.39Å; L825-L846 HydrophobicContact CD1-CD2 3.85Å; L825-L846 HydrophobicContact CD1-CG 4.46Å; L825-L849 HydrophobicContact CD2-CD1 4.28Å | ||
| 826 | M | 58.6 | Low | 74.8 | Confident | 132 Ų | 132 | 72.9 Ų | 72.9 | 65% | 0.65 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.5 | 42.2 | -177 | -77.4 | -128.2 | 112.4 | 0 | 0 | 114.1 | V771 | V771-M826 HydrophobicContact CG1-CB 3.69Š|
| 827 | N | 53.7 | Low | 74.7 | Confident | 92.25 Ų | 92.25 | 72.8 Ų | 72.8 | 49% | 0.493 | 41% | 0.405 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.3 | 74 | 171 | -84.9 | -18.5 | 0 | 0 | 0 | 112.8 | V771 L825 N829 L849 | V771-N827 WeakPolarHBondContact CG1-OD1 3.46Å; L825-N827 VanDerWaalsContact C-N 3.27Å; L825-N827 PolarHBondContact O-N 3.12Å; N827-N829 PolarHBondContact O-N 3.19Å; N827-L849 HydrophobicContact CB-CD2 3.97Å |
| 828 | N | 49.3 | Very low | 74.7 | Confident | 114.5 Ų | 114.5 | 71.6 Ų | 71.6 | 61% | 0.612 | 40% | 0.397 | S | S | * | . | S | Bend | trans | -84.9 | 74.5 | -179.4 | -73.9 | -33.1 | 0 | 0 | 0 | 112.9 | D830 Y835 | N828-D830 CarbonylContact O-C 3.56Å; N828-D830 PolarHBondContact O-N 3.08Å; N828-Y835 PolarHBondContact ND2-OH 3.35Å; N828-Y835 VanDerWaalsContact ND2-OH 3.12Å |
| 829 | N | 52.8 | Low | 74.5 | Confident | 158.75 Ų | 158.75 | 70.5 Ų | 70.5 | 85% | 0.849 | 39% | 0.388 | S | S | * | . | S | Bend | trans | -99.7 | 48.9 | -179.4 | -73.4 | -42.4 | 0 | 0 | 0 | 113.3 | N827 S831 | N827-N829 PolarHBondContact O-N 3.19Å; N829-S831 PolarHBondContact O-N 3.07Å; N829-S831 PolarHBondContact O-OG 2.91Å |
| 830 | D | 48.2 | Very low | 74.3 | Confident | 147 Ų | 147 | 69.8 Ų | 69.8 | 79% | 0.786 | 39% | 0.385 | S | S | * | . | trans | -63.8 | 81.6 | 168.1 | -79.7 | -33.2 | 0 | 0 | 0 | 114.5 | N828 S832 I833 | N828-D830 CarbonylContact O-C 3.56Å; N828-D830 PolarHBondContact O-N 3.08Å; D830-S832 PolarHBondContact O-N 3.18Å; D830-I833 HydrophobicContact CB-CD1 4.16Å; D830-I833 HydrophobicContact CB-CG1 4.27Å; D830-I833 PolarHBondContact O-N 3.49Å | ||
| 831 | S | 54.4 | Low | 74.2 | Confident | 96.5 Ų | 96.5 | 66 Ų | 66 | 68% | 0.675 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.7 | 70.3 | 170 | 58.2 | 0 | 0 | 0 | 0 | 113 | N829 I833 | N829-S831 PolarHBondContact O-N 3.07Å; N829-S831 PolarHBondContact O-OG 2.91Å; S831-I833 VanDerWaalsContact C-N 3.25Å; S831-I833 PolarHBondContact O-N 3.4Å |
| 832 | S | 61.6 | Low | 74.1 | Confident | 96.75 Ų | 96.75 | 63.2 Ų | 63.2 | 68% | 0.677 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.9 | 30.1 | -178 | 60.1 | 0 | 0 | 0 | 0 | 112.8 | D830 H834 | D830-S832 PolarHBondContact O-N 3.18Å; S832-H834 PolarHBondContact O-CD2 2.81Å; S832-H834 PolarHBondContact O-N 2.97Å |
| 833 | I | 73.3 | Confident | 73.7 | Confident | 76.75 Ų | 76.75 | 63.2 Ų | 63.2 | 39% | 0.394 | 35% | 0.346 | S | S | . | . | trans | -84.8 | 114 | 179.2 | -51.7 | 176.9 | 0 | 0 | 0 | 109 | D830 S831 Y835 | D830-I833 HydrophobicContact CB-CD1 4.16Å; D830-I833 HydrophobicContact CB-CG1 4.27Å; D830-I833 PolarHBondContact O-N 3.49Å; S831-I833 VanDerWaalsContact C-N 3.25Å; S831-I833 PolarHBondContact O-N 3.4Å; I833-Y835 HydrophobicContact CB-CE2 4.11Å; I833-Y835 HydrophobicContact CG2-CD1 4.34Å; I833-Y835 HydrophobicContact CG2-CD2 4.3Å; I833-Y835 HydrophobicContact CG2-CE1 3.8Å; I833-Y835 HydrophobicContact CG2-CE2 3.7Å; I833-Y835 VanDerWaalsContact CG2-CZ 3.43Å; I833-Y835 WeakPolarHBondContact CG2-OH 3.48Å; I833-Y835 WeakPolarHBondContact O-CD2 2.87Å; I833-Y835 WeakPolarHBondContact O-CE2 3.35Å | ||
| 834 | H | 81.9 | Confident | 72.9 | Confident | 94.5 Ų | 94.5 | 66.8 Ų | 66.8 | 44% | 0.438 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 134.1 | 170.1 | -64.9 | -92.7 | 0 | 0 | 0 | 110.1 | S821 D822 I823 S832 | S821-H834 VanDerWaalsContact O-CB 3.27Å; S821-H834 WeakPolarHBondContact O-CB 3.35Å; D822-H834 PolarHBondContact O-ND1 2.95Å; I823-H834 CarbonylContact O-C 3.59Å; I823-H834 WeakPolarHBondContact O-CA 3.35Å; S832-H834 PolarHBondContact O-CD2 2.81Å; S832-H834 PolarHBondContact O-N 2.97Å |
| 835 | Y | 85.8 | Confident | 72.5 | Confident | 31.75 Ų | 31.75 | 69.5 Ų | 69.5 | 13% | 0.125 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 154.2 | -179.2 | -59.1 | -86.9 | 0 | 0 | 0 | 110.6 | S821 D822 I823 L825 N828 I833 H839 I840 E845 L846 | S821-Y835 CarbonylContact C-O 3.56Å; S821-Y835 VanDerWaalsContact CA-O 3.32Å; S821-Y835 WeakPolarHBondContact CA-O 3.29Å; D822-Y835 PolarHBondContact N-O 3.2Å; I823-Y835 VanDerWaalsContact CB-O 3.32Å; I823-Y835 WeakPolarHBondContact CB-O 3.39Å; I823-Y835 PolarHBondContact N-O 3.14Å; I823-Y835 PolarHBondContact O-N 3Å; L825-Y835 HydrophobicContact CB-CD2 4.18Å; L825-Y835 HydrophobicContact CB-CE2 4.06Å; L825-Y835 HydrophobicContact CD1-CD2 3.79Å; L825-Y835 HydrophobicContact CD1-CE2 3.98Å; L825-Y835 HydrophobicContact CD1-CG 4.33Å; L825-Y835 HydrophobicContact CG-CD2 3.9Å; L825-Y835 HydrophobicContact CG-CE2 4.22Å; N828-Y835 PolarHBondContact ND2-OH 3.35Å; N828-Y835 VanDerWaalsContact ND2-OH 3.12Å; I833-Y835 HydrophobicContact CB-CE2 4.11Å; I833-Y835 HydrophobicContact CG2-CD1 4.34Å; I833-Y835 HydrophobicContact CG2-CD2 4.3Å; I833-Y835 HydrophobicContact CG2-CE1 3.8Å; I833-Y835 HydrophobicContact CG2-CE2 3.7Å; I833-Y835 VanDerWaalsContact CG2-CZ 3.43Å; I833-Y835 WeakPolarHBondContact CG2-OH 3.48Å; I833-Y835 WeakPolarHBondContact O-CD2 2.87Å; I833-Y835 WeakPolarHBondContact O-CE2 3.35Å; Y835-H839 AromaticContact CD1-CD2 3.6Å; Y835-H839 AromaticContact CD1-ND1 3.74Å; Y835-I840 HydrophobicContact CG-CG1 4.46Å; Y835-E845 WeakPolarHBondContact CD1-OE1 3.04Å; Y835-E845 WeakPolarHBondContact CD1-OE2 3.4Å; Y835-E845 WeakPolarHBondContact CE1-OE1 3.27Å; Y835-L846 HydrophobicContact CD1-CD1 3.69Å; Y835-L846 HydrophobicContact CE1-CD1 3.69Å; Y835-L846 HydrophobicContact CE1-CD2 4.35Å; Y835-L846 HydrophobicContact CG-CD1 4.3Å |
| 836 | S | 90.1 | Very high | 72.2 | Confident | 20 Ų | 20 | 69.3 Ų | 69.3 | 14% | 0.14 | 37% | 0.37 | C | S | . | . | trans | -89.1 | 160.1 | 168.5 | 91 | 0 | 0 | 0 | 0 | 110.3 | D819 L838 H839 I840 | D819-S836 VanDerWaalsContact CG-CB 3.5Å; D819-S836 VanDerWaalsContact O-CB 3.26Å; D819-S836 WeakPolarHBondContact O-CB 3.44Å; D819-S836 WeakPolarHBondContact OD2-CB 3.29Å; D819-S836 PolarHBondContact OD2-OG 3.02Å; S836-L838 VanDerWaalsContact C-N 3.35Å; S836-L838 PolarHBondContact O-N 3.35Å; S836-H839 WeakPolarHBondContact O-CB 3.41Å; S836-H839 PolarHBondContact O-N 2.87Å; S836-H839 WeakPolarHBondContact OG-CB 3.34Å; S836-H839 PolarHBondContact OG-N 3.34Å; S836-I840 WeakPolarHBondContact O-CG1 3.27Å; S836-I840 PolarHBondContact O-N 3.2Å; S836-I840 VanDerWaalsContact O-N 3.11Å | ||
| 837 | L | 90.8 | Very high | 72.6 | Confident | 0.25 Ų | 0.25 | 64.3 Ų | 64.3 | 0% | 0.001 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -70.1 | -37.5 | -176.2 | -172.2 | 64.6 | 0 | 0 | 0 | 111.7 | W777 I778 V781 W816 D819 I823 H839 I840 F841 | W777-L837 HydrophobicContact CH2-CD1 4.06Å; W777-L837 HydrophobicContact CZ3-CD1 4.16Å; W777-L837 HydrophobicContact CZ3-CD2 4.39Å; I778-L837 HydrophobicContact CG2-CD1 4.05Å; V781-L837 HydrophobicContact CG1-CD2 4.34Å; W816-L837 HydrophobicContact CE3-CD2 4.24Å; W816-L837 HydrophobicContact CH2-CD2 4.23Å; W816-L837 HydrophobicContact CZ3-CD2 3.66Å; D819-L837 WeakPolarHBondContact OD1-CB 3.24Å; D819-L837 PolarHBondContact OD1-N 3.14Å; D819-L837 PolarHBondContact OD2-N 2.93Å; I823-L837 HydrophobicContact CD1-CB 3.89Å; I823-L837 HydrophobicContact CD1-CD1 3.88Å; I823-L837 HydrophobicContact CD1-CG 4.44Å; L837-H839 VanDerWaalsContact C-N 3.29Å; L837-H839 PolarHBondContact O-N 3.19Å; L837-I840 PolarHBondContact O-N 3.23Å; L837-F841 HydrophobicContact CD1-CD1 4.35Å; L837-F841 HydrophobicContact CD1-CE1 3.76Å; L837-F841 HydrophobicContact CD1-CE2 4.14Å; L837-F841 HydrophobicContact CD1-CZ 3.64Å; L837-F841 HydrophobicContact CD2-CE2 3.82Å; L837-F841 HydrophobicContact CD2-CZ 3.86Å; L837-F841 HydrophobicContact CG-CD2 4.11Å; L837-F841 HydrophobicContact CG-CE1 4.16Å; L837-F841 HydrophobicContact CG-CE2 3.62Å; L837-F841 HydrophobicContact CG-CZ 3.65Å; L837-F841 WeakPolarHBondContact O-CB 3.32Å; L837-F841 WeakPolarHBondContact O-CD2 3.21Å; L837-F841 VanDerWaalsContact O-CG 3.22Å; L837-F841 WeakPolarHBondContact O-CG 3.33Å; L837-F841 PolarHBondContact O-N 2.97Å |
| 838 | L | 90.6 | Very high | 73 | Confident | 10.75 Ų | 10.75 | 63.4 Ų | 63.4 | 6% | 0.056 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -64.1 | -36.2 | 173.9 | -60.9 | 172.5 | 0 | 0 | 0 | 111.2 | D819 S836 I840 F841 F842 I869 A880 Y881 Y884 | D819-L838 HydrophobicContact CB-CD1 3.91Å; D819-L838 HydrophobicContact CB-CG 4.21Å; D819-L838 PolarHBondContact OD1-N 3.36Å; D819-L838 VanDerWaalsContact OD2-CB 3.23Å; D819-L838 WeakPolarHBondContact OD2-CB 3.38Å; D819-L838 WeakPolarHBondContact OD2-CD1 3.5Å; D819-L838 VanDerWaalsContact OD2-CG 3.23Å; D819-L838 WeakPolarHBondContact OD2-CG 3.36Å; D819-L838 PolarHBondContact OD2-N 3.1Å; S836-L838 VanDerWaalsContact C-N 3.35Å; S836-L838 PolarHBondContact O-N 3.35Å; L838-I840 VanDerWaalsContact C-N 3.34Å; L838-I840 PolarHBondContact O-N 2.97Å; L838-F841 PolarHBondContact O-N 3.14Å; L838-F842 WeakPolarHBondContact O-CD2 3.33Å; L838-F842 PolarHBondContact O-N 3.29Å; L838-F842 VanDerWaalsContact O-N 3.13Å; L838-I869 HydrophobicContact CD2-CD1 3.72Å; L838-I869 HydrophobicContact CD2-CG1 4.2Å; L838-I869 HydrophobicContact CD2-CG2 3.78Å; L838-A880 HydrophobicContact CD1-CB 4.5Å; L838-Y881 HydrophobicContact CD1-CD2 4.13Å; L838-Y881 HydrophobicContact CD1-CE2 4.23Å; L838-Y881 HydrophobicContact CD1-CG 4.44Å; L838-Y881 HydrophobicContact CD2-CD1 4.17Å; L838-Y881 HydrophobicContact CD2-CE1 4Å; L838-Y881 HydrophobicContact CD2-CE2 4.42Å; L838-Y881 HydrophobicContact CD2-CG 4.42Å; L838-Y881 HydrophobicContact CG-CE2 4.29Å; L838-Y884 HydrophobicContact CB-CD2 4.43Å; L838-Y884 HydrophobicContact CD1-CD2 4.31Å; L838-Y884 HydrophobicContact CD1-CG 4.2Å |
| 839 | H | 86.3 | Confident | 73.4 | Confident | 85.25 Ų | 85.25 | 61.9 Ų | 61.9 | 40% | 0.395 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -63.7 | -44.4 | 175 | -169.2 | 71.7 | 0 | 0 | 0 | 111.4 | Y835 S836 L837 F841 F842 N843 E845 L846 | Y835-H839 AromaticContact CD1-CD2 3.6Å; Y835-H839 AromaticContact CD1-ND1 3.74Å; S836-H839 WeakPolarHBondContact O-CB 3.41Å; S836-H839 PolarHBondContact O-N 2.87Å; S836-H839 WeakPolarHBondContact OG-CB 3.34Å; S836-H839 PolarHBondContact OG-N 3.34Å; L837-H839 VanDerWaalsContact C-N 3.29Å; L837-H839 PolarHBondContact O-N 3.19Å; H839-F841 VanDerWaalsContact C-N 3.29Å; H839-F841 PolarHBondContact O-N 2.99Å; H839-F842 PolarHBondContact O-N 3.01Å; H839-F842 VanDerWaalsContact O-N 3.15Å; H839-N843 PolarHBondContact CD2-ND2 2.89Å; H839-N843 PolarHBondContact CE1-ND2 3.21Å; H839-N843 VanDerWaalsContact CE1-ND2 3.31Å; H839-N843 PolarHBondContact NE2-ND2 3.19Å; H839-N843 WeakPolarHBondContact O-CB 3.33Å; H839-N843 PolarHBondContact O-N 3.17Å; H839-N843 VanDerWaalsContact O-N 3.15Å; H839-E845 IonicContact CE1-OE1 3.52Å; H839-E845 PolarHBondContact CE1-OE1 3.36Å; H839-E845 IonicContact CE1-OE2 3.35Å; H839-E845 IonicContact CG-OE2 3.78Å; H839-E845 VanDerWaalsContact ND1-CD 3.3Å; H839-E845 IonicContact ND1-OE1 2.68Å; H839-E845 PolarHBondContact ND1-OE1 3.36Å; H839-E845 VanDerWaalsContact ND1-OE1 3.12Å; H839-E845 IonicContact ND1-OE2 3.76Å; H839-E845 PolarHBondContact ND1-OE2 3.48Å; H839-L846 WeakPolarHBondContact CD2-CD1 3.47Å |
| 840 | I | 86.5 | Confident | 73.5 | Confident | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -64.9 | -41.4 | 178 | -61.3 | 170.1 | 0 | 0 | 0 | 111.2 | I778 I823 L825 Y835 S836 L837 L838 F842 E845 L846 L847 L849 | I778-I840 HydrophobicContact CD1-CD1 3.98Å; I778-I840 HydrophobicContact CG2-CG2 3.98Å; I823-I840 HydrophobicContact CB-CD1 4Å; I823-I840 HydrophobicContact CD1-CD1 3.78Å; I823-I840 HydrophobicContact CG1-CD1 4.44Å; I823-I840 HydrophobicContact CG2-CD1 3.7Å; L825-I840 HydrophobicContact CD1-CD1 4.18Å; L825-I840 HydrophobicContact CD1-CG1 4.19Å; L825-I840 HydrophobicContact CD2-CD1 4.32Å; L825-I840 HydrophobicContact CG-CD1 4.28Å; Y835-I840 HydrophobicContact CG-CG1 4.46Å; S836-I840 WeakPolarHBondContact O-CG1 3.27Å; S836-I840 PolarHBondContact O-N 3.2Å; S836-I840 VanDerWaalsContact O-N 3.11Å; L837-I840 PolarHBondContact O-N 3.23Å; L838-I840 VanDerWaalsContact C-N 3.34Å; L838-I840 PolarHBondContact O-N 2.97Å; I840-F842 VanDerWaalsContact C-N 3.31Å; I840-F842 PolarHBondContact O-N 3.18Å; I840-E845 WeakPolarHBondContact CA-OE2 3.46Å; I840-E845 HydrophobicContact CG2-CB 4.11Å; I840-L846 HydrophobicContact CG1-CD1 4.48Å; I840-L846 HydrophobicContact CG2-CB 4.38Å; I840-L846 HydrophobicContact CG2-CD1 4.25Å; I840-L846 WeakPolarHBondContact O-CB 3.3Å; I840-L846 PolarHBondContact O-N 3.47Å; I840-L847 WeakPolarHBondContact O-CB 3.28Å; I840-L849 HydrophobicContact CG2-CD1 4.36Å |
| 841 | F | 87.6 | Confident | 73.6 | Confident | 5.75 Ų | 5.75 | 51 Ų | 51 | 3% | 0.025 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -67.1 | -24.4 | -179 | -76.3 | -12.2 | 0 | 0 | 0 | 115.1 | I778 V781 Y782 L785 L837 L838 H839 L846 L847 L865 I869 | I778-F841 HydrophobicContact CG2-CD1 4.37Å; I778-F841 HydrophobicContact CG2-CE1 3.82Å; V781-F841 HydrophobicContact CB-CZ 4.24Å; V781-F841 HydrophobicContact CG1-CE2 4.35Å; V781-F841 HydrophobicContact CG1-CZ 3.81Å; Y782-F841 HydrophobicContact CD2-CD1 4.19Å; Y782-F841 HydrophobicContact CD2-CE1 4.39Å; L785-F841 HydrophobicContact CD1-CD2 4.3Å; L785-F841 HydrophobicContact CD1-CE2 3.53Å; L785-F841 VanDerWaalsContact CD1-CE2 3.45Å; L785-F841 HydrophobicContact CD1-CZ 4.09Å; L837-F841 HydrophobicContact CD1-CD1 4.35Å; L837-F841 HydrophobicContact CD1-CE1 3.76Å; L837-F841 HydrophobicContact CD1-CE2 4.14Å; L837-F841 HydrophobicContact CD1-CZ 3.64Å; L837-F841 HydrophobicContact CD2-CE2 3.82Å; L837-F841 HydrophobicContact CD2-CZ 3.86Å; L837-F841 HydrophobicContact CG-CD2 4.11Å; L837-F841 HydrophobicContact CG-CE1 4.16Å; L837-F841 HydrophobicContact CG-CE2 3.62Å; L837-F841 HydrophobicContact CG-CZ 3.65Å; L837-F841 WeakPolarHBondContact O-CB 3.32Å; L837-F841 WeakPolarHBondContact O-CD2 3.21Å; L837-F841 VanDerWaalsContact O-CG 3.22Å; L837-F841 WeakPolarHBondContact O-CG 3.33Å; L837-F841 PolarHBondContact O-N 2.97Å; L838-F841 PolarHBondContact O-N 3.14Å; H839-F841 VanDerWaalsContact C-N 3.29Å; H839-F841 PolarHBondContact O-N 2.99Å; F841-L846 HydrophobicContact CD1-CD1 4.28Å; F841-L847 HydrophobicContact CD1-CD1 4.31Å; F841-L865 HydrophobicContact CB-CD2 3.96Å; F841-L865 HydrophobicContact CG-CD2 4.45Å; F841-L865 WeakPolarHBondContact O-CD2 3.34Å; F841-I869 HydrophobicContact CD2-CD1 4.17Å |
| 842 | F | 84.3 | Confident | 73.3 | Confident | 18.5 Ų | 18.5 | 52.3 Ų | 52.3 | 8% | 0.081 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -118 | -1.5 | -175.5 | -70.1 | -71.6 | 0 | 0 | 0 | 115.1 | L838 H839 I840 R862 L865 I866 I869 Y884 | L838-F842 WeakPolarHBondContact O-CD2 3.33Å; L838-F842 PolarHBondContact O-N 3.29Å; L838-F842 VanDerWaalsContact O-N 3.13Å; H839-F842 PolarHBondContact O-N 3.01Å; H839-F842 VanDerWaalsContact O-N 3.15Å; I840-F842 VanDerWaalsContact C-N 3.31Å; I840-F842 PolarHBondContact O-N 3.18Å; F842-R862 HydrophobicContact CD1-CG 4.2Å; F842-R862 HydrophobicContact CE1-CG 4.25Å; F842-R862 PolarHBondContact O-NH2 3.03Å; F842-L865 HydrophobicContact CD1-CD2 4.29Å; F842-L865 HydrophobicContact CE1-CB 4.22Å; F842-L865 HydrophobicContact CE1-CD2 3.77Å; F842-L865 HydrophobicContact CE1-CG 4.14Å; F842-L865 HydrophobicContact CE2-CD2 4.35Å; F842-L865 HydrophobicContact CE2-CG 4.41Å; F842-L865 HydrophobicContact CZ-CB 4.24Å; F842-L865 HydrophobicContact CZ-CD2 3.81Å; F842-L865 HydrophobicContact CZ-CG 3.81Å; F842-I866 HydrophobicContact CE1-CD1 4.18Å; F842-I866 HydrophobicContact CE1-CG1 3.58Å; F842-I866 VanDerWaalsContact CE1-CG1 3.47Å; F842-I866 HydrophobicContact CZ-CB 4.46Å; F842-I866 HydrophobicContact CZ-CD1 4.36Å; F842-I866 HydrophobicContact CZ-CG1 3.49Å; F842-I866 VanDerWaalsContact CZ-CG1 3.48Å; F842-I869 HydrophobicContact CD2-CD1 4.43Å; F842-I869 HydrophobicContact CE2-CD1 3.36Å; F842-I869 VanDerWaalsContact CE2-CD1 3.44Å; F842-I869 HydrophobicContact CZ-CD1 3.66Å; F842-Y884 WeakPolarHBondContact CB-OH 3.28Å; F842-Y884 HydrophobicContact CD1-CE1 4.49Å; F842-Y884 WeakPolarHBondContact CD1-OH 3.29Å; F842-Y884 HydrophobicContact CD2-CD1 4.39Å; F842-Y884 AromaticContact CD2-CE1 3.45Å; F842-Y884 HydrophobicContact CD2-CE1 3.45Å; F842-Y884 VanDerWaalsContact CD2-CE1 3.45Å; F842-Y884 HydrophobicContact CD2-CE2 4.11Å; F842-Y884 AromaticContact CD2-CZ 3.28Å; F842-Y884 WeakPolarHBondContact CD2-OH 3.33Å; F842-Y884 HydrophobicContact CE1-CE1 4.26Å; F842-Y884 AromaticContact CE2-CD1 3.84Å; F842-Y884 HydrophobicContact CE2-CD1 3.84Å; F842-Y884 AromaticContact CE2-CE1 3.11Å; F842-Y884 HydrophobicContact CE2-CE1 3.11Å; F842-Y884 HydrophobicContact CE2-CE2 4.42Å; F842-Y884 AromaticContact CE2-CZ 3.52Å; F842-Y884 VanDerWaalsContact CE2-CZ 3.44Å; F842-Y884 HydrophobicContact CG-CE1 4.14Å; F842-Y884 AromaticContact CG-CZ 3.77Å; F842-Y884 WeakPolarHBondContact CG-OH 3.33Å; F842-Y884 HydrophobicContact CZ-CD1 4.41Å; F842-Y884 AromaticContact CZ-CE1 3.58Å; F842-Y884 HydrophobicContact CZ-CE1 3.58Å |
| 843 | N | 78.2 | Confident | 72.9 | Confident | 56 Ų | 56 | 49.9 Ų | 49.9 | 30% | 0.299 | 27% | 0.269 | S | S | . | . | trans | -102.5 | 94.9 | 172.8 | -156.9 | -25.7 | 0 | 0 | 0 | 109.7 | H839 E845 L846 L847 | H839-N843 PolarHBondContact CD2-ND2 2.89Å; H839-N843 PolarHBondContact CE1-ND2 3.21Å; H839-N843 VanDerWaalsContact CE1-ND2 3.31Å; H839-N843 PolarHBondContact NE2-ND2 3.19Å; H839-N843 WeakPolarHBondContact O-CB 3.33Å; H839-N843 PolarHBondContact O-N 3.17Å; H839-N843 VanDerWaalsContact O-N 3.15Å; N843-E845 VanDerWaalsContact C-N 3.26Å; N843-E845 PolarHBondContact O-N 3.27Å; N843-E845 PolarHBondContact OD1-N 3.22Å; N843-E845 VanDerWaalsContact OD1-N 3.13Å; N843-L846 HydrophobicContact CB-CB 4.12Å; N843-L846 HydrophobicContact CB-CD1 3.95Å; N843-L846 HydrophobicContact CB-CG 4.07Å; N843-L846 WeakPolarHBondContact ND2-CD1 3.45Å; N843-L846 PolarHBondContact O-N 3.28Å; N843-L846 VanDerWaalsContact O-N 3.12Å; N843-L846 PolarHBondContact OD1-N 3.12Å; N843-L847 WeakPolarHBondContact O-CB 3.28Å; N843-L847 PolarHBondContact O-N 3.08Å | ||
| 844 | D | 68.7 | Low | 71.7 | Confident | 88.25 Ų | 88.25 | 52.2 Ų | 52.2 | 47% | 0.472 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -43.4 | -25.3 | -175.8 | -58.3 | -42.2 | 0 | 0 | 0 | 113.7 | L846 L847 S848 R862 | D844-L846 PolarHBondContact O-N 2.97Å; D844-L847 HydrophobicContact CB-CD1 4.14Å; D844-L847 WeakPolarHBondContact O-CB 3.47Å; D844-L847 PolarHBondContact O-N 3.11Å; D844-S848 VanDerWaalsContact O-CB 3.24Å; D844-S848 WeakPolarHBondContact O-CB 3.38Å; D844-S848 PolarHBondContact O-N 3.32Å; D844-S848 PolarHBondContact O-OG 3.03Å; D844-R862 VanDerWaalsContact CG-NH1 3.32Å; D844-R862 IonicContact OD1-CZ 3.17Å; D844-R862 IonicContact OD1-NH1 3.09Å; D844-R862 PolarHBondContact OD1-NH1 3.24Å; D844-R862 IonicContact OD1-NH2 3.07Å; D844-R862 PolarHBondContact OD1-NH2 3.07Å; D844-R862 IonicContact OD2-CZ 3.84Å; D844-R862 IonicContact OD2-NH1 3.11Å; D844-R862 PolarHBondContact OD2-NH1 3.3Å; D844-R862 VanDerWaalsContact OD2-NH1 3.12Å; D844-R862 IonicContact OD2-NH2 3.44Å; D844-R862 PolarHBondContact OD2-NH2 2.94Å |
| 845 | E | 67.7 | Low | 70.1 | Confident | 117 Ų | 117 | 56.1 Ų | 56.1 | 55% | 0.547 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -65.5 | -41.2 | 174.3 | -68 | 175.5 | 173.6 | 0 | 0 | 111.6 | L825 Y835 H839 I840 N843 L847 S848 L849 | L825-E845 HydrophobicContact CD1-CB 4.16Å; L825-E845 HydrophobicContact CD1-CG 4.32Å; Y835-E845 WeakPolarHBondContact CD1-OE1 3.04Å; Y835-E845 WeakPolarHBondContact CD1-OE2 3.4Å; Y835-E845 WeakPolarHBondContact CE1-OE1 3.27Å; H839-E845 IonicContact CE1-OE1 3.52Å; H839-E845 PolarHBondContact CE1-OE1 3.36Å; H839-E845 IonicContact CE1-OE2 3.35Å; H839-E845 IonicContact CG-OE2 3.78Å; H839-E845 VanDerWaalsContact ND1-CD 3.3Å; H839-E845 IonicContact ND1-OE1 2.68Å; H839-E845 PolarHBondContact ND1-OE1 3.36Å; H839-E845 VanDerWaalsContact ND1-OE1 3.12Å; H839-E845 IonicContact ND1-OE2 3.76Å; H839-E845 PolarHBondContact ND1-OE2 3.48Å; I840-E845 WeakPolarHBondContact CA-OE2 3.46Å; I840-E845 HydrophobicContact CG2-CB 4.11Å; N843-E845 VanDerWaalsContact C-N 3.26Å; N843-E845 PolarHBondContact O-N 3.27Å; N843-E845 PolarHBondContact OD1-N 3.22Å; N843-E845 VanDerWaalsContact OD1-N 3.13Å; E845-L847 VanDerWaalsContact C-N 3.34Å; E845-L847 PolarHBondContact O-N 3.16Å; E845-S848 WeakPolarHBondContact CA-OG 3.48Å; E845-S848 WeakPolarHBondContact O-CB 3.36Å; E845-S848 PolarHBondContact O-N 3.05Å; E845-S848 PolarHBondContact O-OG 3Å; E845-L849 VanDerWaalsContact O-CB 3.23Å; E845-L849 WeakPolarHBondContact O-CB 3.3Å; E845-L849 VanDerWaalsContact O-CD1 3.26Å; E845-L849 WeakPolarHBondContact O-CD1 3.49Å; E845-L849 WeakPolarHBondContact O-CG 3.42Å; E845-L849 PolarHBondContact O-N 3.02Å |
| 846 | L | 66.4 | Low | 68.2 | Low | 11.75 Ų | 11.75 | 60.5 Ų | 60.5 | 6% | 0.062 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -71 | -31.6 | 178.3 | -81 | 159.8 | 0 | 0 | 0 | 112.8 | I778 Y782 L825 Y835 H839 I840 F841 N843 D844 S848 L849 N850 I853 | I778-L846 HydrophobicContact CG2-CD1 3.77Å; Y782-L846 HydrophobicContact CD1-CD2 4Å; Y782-L846 HydrophobicContact CD2-CD2 3.37Å; Y782-L846 HydrophobicContact CE1-CD2 4.16Å; Y782-L846 HydrophobicContact CE2-CD2 3.54Å; Y782-L846 HydrophobicContact CG-CD2 3.6Å; L825-L846 HydrophobicContact CD1-CB 4.35Å; L825-L846 HydrophobicContact CD1-CD1 4.39Å; L825-L846 HydrophobicContact CD1-CD2 3.85Å; L825-L846 HydrophobicContact CD1-CG 4.46Å; Y835-L846 HydrophobicContact CD1-CD1 3.69Å; Y835-L846 HydrophobicContact CE1-CD1 3.69Å; Y835-L846 HydrophobicContact CE1-CD2 4.35Å; Y835-L846 HydrophobicContact CG-CD1 4.3Å; H839-L846 WeakPolarHBondContact CD2-CD1 3.47Å; I840-L846 HydrophobicContact CG1-CD1 4.48Å; I840-L846 HydrophobicContact CG2-CB 4.38Å; I840-L846 HydrophobicContact CG2-CD1 4.25Å; I840-L846 WeakPolarHBondContact O-CB 3.3Å; I840-L846 PolarHBondContact O-N 3.47Å; F841-L846 HydrophobicContact CD1-CD1 4.28Å; N843-L846 HydrophobicContact CB-CB 4.12Å; N843-L846 HydrophobicContact CB-CD1 3.95Å; N843-L846 HydrophobicContact CB-CG 4.07Å; N843-L846 WeakPolarHBondContact ND2-CD1 3.45Å; N843-L846 PolarHBondContact O-N 3.28Å; N843-L846 VanDerWaalsContact O-N 3.12Å; N843-L846 PolarHBondContact OD1-N 3.12Å; D844-L846 PolarHBondContact O-N 2.97Å; L846-S848 VanDerWaalsContact C-N 3.33Å; L846-L849 HydrophobicContact CD1-CD1 4.44Å; L846-L849 HydrophobicContact CD2-CD1 4.19Å; L846-L849 PolarHBondContact O-N 3.46Å; L846-N850 PolarHBondContact O-N 2.89Å; L846-N850 PolarHBondContact O-ND2 3Å; L846-I853 HydrophobicContact CD2-CD1 4.12Å; L846-I853 HydrophobicContact CG-CD1 4.32Å |
| 847 | L | 66.4 | Low | 66.4 | Low | 27 Ų | 27 | 63.4 Ų | 63.4 | 14% | 0.141 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -73.1 | -42.2 | 175.9 | -146.9 | 83.4 | 0 | 0 | 0 | 110.9 | Y782 I840 F841 N843 D844 E845 L849 N850 T851 I853 | Y782-L847 HydrophobicContact CD2-CD1 4.27Å; Y782-L847 HydrophobicContact CD2-CD2 4.38Å; Y782-L847 HydrophobicContact CE2-CD1 4.42Å; Y782-L847 HydrophobicContact CE2-CD2 3.85Å; I840-L847 WeakPolarHBondContact O-CB 3.28Å; F841-L847 HydrophobicContact CD1-CD1 4.31Å; N843-L847 WeakPolarHBondContact O-CB 3.28Å; N843-L847 PolarHBondContact O-N 3.08Å; D844-L847 HydrophobicContact CB-CD1 4.14Å; D844-L847 WeakPolarHBondContact O-CB 3.47Å; D844-L847 PolarHBondContact O-N 3.11Å; E845-L847 VanDerWaalsContact C-N 3.34Å; E845-L847 PolarHBondContact O-N 3.16Å; L847-L849 VanDerWaalsContact C-N 3.29Å; L847-L849 PolarHBondContact O-N 3.21Å; L847-N850 CarbonylContact O-C 3.53Å; L847-N850 WeakPolarHBondContact O-CA 3.06Å; L847-N850 PolarHBondContact O-N 3.29Å; L847-N850 VanDerWaalsContact O-N 3.12Å; L847-T851 VanDerWaalsContact C-OG1 3.27Å; L847-T851 HydrophobicContact CD1-CG2 3.92Å; L847-T851 HydrophobicContact CG-CG2 4.14Å; L847-T851 VanDerWaalsContact O-CB 3.3Å; L847-T851 WeakPolarHBondContact O-CB 3.16Å; L847-T851 VanDerWaalsContact O-CG2 3.25Å; L847-T851 WeakPolarHBondContact O-CG2 3.37Å; L847-T851 PolarHBondContact O-N 2.96Å; L847-T851 VanDerWaalsContact O-N 3.09Å; L847-T851 PolarHBondContact O-OG1 3.15Å; L847-I853 HydrophobicContact CD2-CB 3.82Å; L847-I853 HydrophobicContact CD2-CD1 3.87Å; L847-I853 HydrophobicContact CD2-CG1 4.44Å; L847-I853 HydrophobicContact CD2-CG2 4.02Å; L847-I853 HydrophobicContact CG-CD1 4.02Å |
| 848 | S | 62.6 | Low | 65.1 | Low | 73.5 Ų | 73.5 | 66 Ų | 66 | 51% | 0.514 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -64.7 | -29.3 | 175.6 | 64.2 | 0 | 0 | 0 | 0 | 113.1 | D844 E845 L846 N850 T851 | D844-S848 VanDerWaalsContact O-CB 3.24Å; D844-S848 WeakPolarHBondContact O-CB 3.38Å; D844-S848 PolarHBondContact O-N 3.32Å; D844-S848 PolarHBondContact O-OG 3.03Å; E845-S848 WeakPolarHBondContact CA-OG 3.48Å; E845-S848 WeakPolarHBondContact O-CB 3.36Å; E845-S848 PolarHBondContact O-N 3.05Å; E845-S848 PolarHBondContact O-OG 3Å; L846-S848 VanDerWaalsContact C-N 3.33Å; S848-N850 PolarHBondContact O-N 3.2Å; S848-T851 CarbonylContact C-O 3.55Å; S848-T851 WeakPolarHBondContact CA-O 3.37Å; S848-T851 CarbonylContact O-C 3.31Å; S848-T851 PolarHBondContact O-N 3.1Å; S848-T851 VanDerWaalsContact O-N 3.12Å |
| 849 | L | 57.5 | Low | 64.1 | Low | 84.75 Ų | 84.75 | 69.3 Ų | 69.3 | 44% | 0.444 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -66.5 | -22.3 | 172.7 | -93.8 | 132.8 | 0 | 0 | 0 | 113.7 | N775 I778 L825 N827 I840 E845 L846 L847 | N775-L849 HydrophobicContact CB-CD1 4.48Å; N775-L849 HydrophobicContact CB-CD2 3.9Å; I778-L849 HydrophobicContact CD1-CD1 4.48Å; L825-L849 HydrophobicContact CD2-CD1 4.28Å; N827-L849 HydrophobicContact CB-CD2 3.97Å; I840-L849 HydrophobicContact CG2-CD1 4.36Å; E845-L849 VanDerWaalsContact O-CB 3.23Å; E845-L849 WeakPolarHBondContact O-CB 3.3Å; E845-L849 VanDerWaalsContact O-CD1 3.26Å; E845-L849 WeakPolarHBondContact O-CD1 3.49Å; E845-L849 WeakPolarHBondContact O-CG 3.42Å; E845-L849 PolarHBondContact O-N 3.02Å; L846-L849 HydrophobicContact CD1-CD1 4.44Å; L846-L849 HydrophobicContact CD2-CD1 4.19Å; L846-L849 PolarHBondContact O-N 3.46Å; L847-L849 VanDerWaalsContact C-N 3.29Å; L847-L849 PolarHBondContact O-N 3.21Å |
| 850 | N | 54.4 | Low | 63.3 | Low | 29.25 Ų | 29.25 | 68.4 Ų | 68.4 | 16% | 0.156 | 37% | 0.369 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -120.9 | 11.3 | -179.9 | -82.9 | -51.3 | 0 | 0 | 0 | 113.7 | R726 N775 Y779 L846 L847 S848 C852 | R726-N850 PolarHBondContact NH1-O 3.44Å; N775-N850 VanDerWaalsContact CB-OD1 3.24Å; N775-N850 WeakPolarHBondContact CB-OD1 3.29Å; N775-N850 PolarHBondContact ND2-OD1 3.22Å; Y779-N850 HydrophobicContact CD2-CB 4.11Å; Y779-N850 WeakPolarHBondContact CE1-ND2 3.08Å; Y779-N850 HydrophobicContact CE2-CB 4.05Å; Y779-N850 VanDerWaalsContact CE2-ND2 3.32Å; Y779-N850 WeakPolarHBondContact CE2-ND2 3.48Å; Y779-N850 VanDerWaalsContact CZ-ND2 3.33Å; L846-N850 PolarHBondContact O-N 2.89Å; L846-N850 PolarHBondContact O-ND2 3Å; L847-N850 CarbonylContact O-C 3.53Å; L847-N850 WeakPolarHBondContact O-CA 3.06Å; L847-N850 PolarHBondContact O-N 3.29Å; L847-N850 VanDerWaalsContact O-N 3.12Å; S848-N850 PolarHBondContact O-N 3.2Å; N850-C852 PolarHBondContact O-N 3.39Å; N850-C852 VanDerWaalsContact O-N 3.15Å |
| 851 | T | 51.2 | Low | 62.8 | Low | 47.5 Ų | 47.5 | 70.4 Ų | 70.4 | 29% | 0.291 | 38% | 0.379 | S | S | . | . | trans | -134.9 | 118.2 | -172.2 | 57.6 | 0 | 0 | 0 | 0 | 114.3 | Y779 L847 S848 I853 | Y779-T851 HydrophobicContact CD1-CG2 3.81Å; Y779-T851 HydrophobicContact CD2-CG2 3.37Å; Y779-T851 VanDerWaalsContact CD2-CG2 3.41Å; Y779-T851 HydrophobicContact CE1-CG2 4.21Å; Y779-T851 HydrophobicContact CE2-CG2 3.8Å; Y779-T851 HydrophobicContact CG-CG2 3.86Å; L847-T851 VanDerWaalsContact C-OG1 3.27Å; L847-T851 HydrophobicContact CD1-CG2 3.92Å; L847-T851 HydrophobicContact CG-CG2 4.14Å; L847-T851 VanDerWaalsContact O-CB 3.3Å; L847-T851 WeakPolarHBondContact O-CB 3.16Å; L847-T851 VanDerWaalsContact O-CG2 3.25Å; L847-T851 WeakPolarHBondContact O-CG2 3.37Å; L847-T851 PolarHBondContact O-N 2.96Å; L847-T851 VanDerWaalsContact O-N 3.09Å; L847-T851 PolarHBondContact O-OG1 3.15Å; S848-T851 CarbonylContact C-O 3.55Å; S848-T851 WeakPolarHBondContact CA-O 3.37Å; S848-T851 CarbonylContact O-C 3.31Å; S848-T851 PolarHBondContact O-N 3.1Å; S848-T851 VanDerWaalsContact O-N 3.12Å; T851-I853 VanDerWaalsContact C-N 3.27Å; T851-I853 HydrophobicContact CG2-CD1 4.05Å; T851-I853 HydrophobicContact CG2-CG1 4.36Å; T851-I853 PolarHBondContact O-N 3.07Å; T851-I853 VanDerWaalsContact OG1-CD1 3.27Å; T851-I853 WeakPolarHBondContact OG1-CD1 3.39Å; T851-I853 VanDerWaalsContact OG1-CG1 3.28Å; T851-I853 WeakPolarHBondContact OG1-CG1 3.42Å | ||
| 852 | C | 47.2 | Very low | 62.5 | Low | 122 Ų | 122 | 73.4 Ų | 73.4 | 82% | 0.824 | 39% | 0.39 | S | S | * | . | trans | -88.1 | 66.1 | 167.4 | -62.3 | 0 | 0 | 0 | 0 | 110.5 | N850 | N850-C852 PolarHBondContact O-N 3.39Å; N850-C852 VanDerWaalsContact O-N 3.15Å | ||
| 853 | I | 52.9 | Low | 62.3 | Low | 47.5 Ų | 47.5 | 74.8 Ų | 74.8 | 24% | 0.244 | 40% | 0.398 | C | S | . | . | trans | -98 | 120 | 171.4 | -64.6 | 172.6 | 0 | 0 | 0 | 107.2 | Y782 L846 L847 T851 E855 | Y782-I853 HydrophobicContact CE1-CD1 4.16Å; L846-I853 HydrophobicContact CD2-CD1 4.12Å; L846-I853 HydrophobicContact CG-CD1 4.32Å; L847-I853 HydrophobicContact CD2-CB 3.82Å; L847-I853 HydrophobicContact CD2-CD1 3.87Å; L847-I853 HydrophobicContact CD2-CG1 4.44Å; L847-I853 HydrophobicContact CD2-CG2 4.02Å; L847-I853 HydrophobicContact CG-CD1 4.02Å; T851-I853 VanDerWaalsContact C-N 3.27Å; T851-I853 HydrophobicContact CG2-CD1 4.05Å; T851-I853 HydrophobicContact CG2-CG1 4.36Å; T851-I853 PolarHBondContact O-N 3.07Å; T851-I853 VanDerWaalsContact OG1-CD1 3.27Å; T851-I853 WeakPolarHBondContact OG1-CD1 3.39Å; T851-I853 VanDerWaalsContact OG1-CG1 3.28Å; T851-I853 WeakPolarHBondContact OG1-CG1 3.42Å; I853-E855 PolarHBondContact O-N 3.07Å | ||
| 854 | D | 49.7 | Very low | 62.4 | Low | 125.5 Ų | 125.5 | 74.3 Ų | 74.3 | 67% | 0.671 | 40% | 0.396 | S | S | * | . | trans | -57.5 | 125 | 172.7 | -77.9 | -47 | 0 | 0 | 0 | 110.4 | N856 H857 | D854-N856 PolarHBondContact O-N 2.94Å; D854-N856 VanDerWaalsContact O-N 3.1Å; D854-H857 PolarHBondContact O-N 3.19Å; D854-H857 VanDerWaalsContact O-N 3.15Å | ||
| 855 | E | 47.4 | Very low | 63.3 | Low | 176.75 Ų | 176.75 | 70.3 Ų | 70.3 | 83% | 0.826 | 37% | 0.374 | S | S | * | . | G | 310 helix | trans | -56.6 | -22.1 | -177.7 | -64.1 | -170.9 | 153.3 | 0 | 0 | 113.3 | I853 H857 S858 | I853-E855 PolarHBondContact O-N 3.07Å; E855-H857 PolarHBondContact O-N 3.36Å; E855-H857 VanDerWaalsContact O-N 3.1Å; E855-S858 WeakPolarHBondContact O-CB 3.44Å; E855-S858 PolarHBondContact O-N 2.96Å; E855-S858 VanDerWaalsContact O-N 3.09Å; E855-S858 PolarHBondContact O-OG 3.06Å; E855-S858 VanDerWaalsContact O-OG 3.06Å |
| 856 | N | 45.4 | Very low | 64.3 | Low | 123 Ų | 123 | 65.1 Ų | 65.1 | 66% | 0.658 | 35% | 0.35 | S | S | * | . | G | 310 helix | trans | -66.7 | 3.7 | -178.4 | -66.2 | -24 | 0 | 0 | 0 | 114.4 | D854 S858 I902 | D854-N856 PolarHBondContact O-N 2.94Å; D854-N856 VanDerWaalsContact O-N 3.1Å; N856-S858 PolarHBondContact O-N 3.36Å; N856-I902 WeakPolarHBondContact O-CG2 3.46Å |
| 857 | H | 51.7 | Low | 65.3 | Low | 81 Ų | 81 | 65.5 Ų | 65.5 | 38% | 0.375 | 35% | 0.354 | S | S | . | . | G | 310 helix | trans | -111 | 31.2 | 176.4 | -72.9 | -41 | 0 | 0 | 0 | 113.1 | D854 E855 Q859 L860 N861 | D854-H857 PolarHBondContact O-N 3.19Å; D854-H857 VanDerWaalsContact O-N 3.15Å; E855-H857 PolarHBondContact O-N 3.36Å; E855-H857 VanDerWaalsContact O-N 3.1Å; H857-Q859 PolarHBondContact O-N 3.1Å; H857-L860 PolarHBondContact O-N 3.36Å; H857-N861 WeakPolarHBondContact O-CB 3.39Å; H857-N861 VanDerWaalsContact O-CG 3.31Å; H857-N861 PolarHBondContact O-N 3.08Å; H857-N861 PolarHBondContact O-ND2 3.15Å |
| 858 | S | 65 | Low | 66.4 | Low | 56 Ų | 56 | 64.2 Ų | 64.2 | 39% | 0.392 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -54.4 | -45 | -177 | 63.1 | 0 | 0 | 0 | 0 | 113.1 | E855 N856 L860 N861 R862 | E855-S858 WeakPolarHBondContact O-CB 3.44Å; E855-S858 PolarHBondContact O-N 2.96Å; E855-S858 VanDerWaalsContact O-N 3.09Å; E855-S858 PolarHBondContact O-OG 3.06Å; E855-S858 VanDerWaalsContact O-OG 3.06Å; N856-S858 PolarHBondContact O-N 3.36Å; S858-L860 PolarHBondContact O-N 2.86Å; S858-N861 PolarHBondContact O-N 3.21Å; S858-N861 PolarHBondContact OG-N 2.75Å; S858-R862 WeakPolarHBondContact O-CB 3.45Å; S858-R862 PolarHBondContact O-N 3.15Å |
| 859 | Q | 69.2 | Low | 67.8 | Low | 78 Ų | 78 | 60.7 Ų | 60.7 | 36% | 0.364 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -65.9 | -43.1 | -180 | -90.9 | -176.3 | -7.9 | 0 | 0 | 112.8 | H857 N861 R862 I863 L892 M899 | H857-Q859 PolarHBondContact O-N 3.1Å; Q859-N861 VanDerWaalsContact C-N 3.28Å; Q859-N861 PolarHBondContact O-N 3.17Å; Q859-R862 WeakPolarHBondContact O-CA 3.29Å; Q859-R862 VanDerWaalsContact O-CB 3.3Å; Q859-R862 WeakPolarHBondContact O-CB 3.26Å; Q859-R862 PolarHBondContact O-N 3.23Å; Q859-R862 VanDerWaalsContact O-N 3.1Å; Q859-I863 VanDerWaalsContact O-CG1 3.26Å; Q859-I863 WeakPolarHBondContact O-CG1 3.36Å; Q859-I863 PolarHBondContact O-N 3Å; Q859-L892 HydrophobicContact CG-CD2 3.91Å; Q859-M899 HydrophobicContact CB-CE 3.82Å; Q859-M899 VanDerWaalsContact OE1-CE 3.26Å |
| 860 | L | 69.3 | Low | 69.3 | Low | 67.5 Ų | 67.5 | 56.7 Ų | 56.7 | 35% | 0.353 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -62.1 | -39 | 176.6 | -175.5 | 63.9 | 0 | 0 | 0 | 111.7 | H857 S858 R862 I863 N864 I904 C906 | H857-L860 PolarHBondContact O-N 3.36Å; S858-L860 PolarHBondContact O-N 2.86Å; L860-R862 VanDerWaalsContact C-N 3.29Å; L860-R862 PolarHBondContact O-N 3.23Å; L860-I863 PolarHBondContact O-N 3.13Å; L860-N864 WeakPolarHBondContact O-CB 3.42Å; L860-N864 VanDerWaalsContact O-CG 3.31Å; L860-N864 PolarHBondContact O-N 3.17Å; L860-N864 PolarHBondContact O-ND2 3.11Å; L860-I904 HydrophobicContact CD1-CG2 4.35Å; L860-I904 HydrophobicContact CD2-CG2 4.2Å; L860-C906 HydrophobicContact CD1-CB 3.94Å |
| 861 | N | 75.1 | Confident | 70.9 | Confident | 42.25 Ų | 42.25 | 56.2 Ų | 56.2 | 23% | 0.226 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -63.9 | -40.2 | 174 | -75.8 | -24.7 | 0 | 0 | 0 | 111.8 | M786 H857 S858 Q859 N864 L865 | M786-N861 HydrophobicContact CE-CB 3.84Å; M786-N861 WeakPolarHBondContact CE-O 3.42Å; M786-N861 VanDerWaalsContact CE-OD1 3.31Å; M786-N861 WeakPolarHBondContact CE-OD1 3.22Å; H857-N861 WeakPolarHBondContact O-CB 3.39Å; H857-N861 VanDerWaalsContact O-CG 3.31Å; H857-N861 PolarHBondContact O-N 3.08Å; H857-N861 PolarHBondContact O-ND2 3.15Å; S858-N861 PolarHBondContact O-N 3.21Å; S858-N861 PolarHBondContact OG-N 2.75Å; Q859-N861 VanDerWaalsContact C-N 3.28Å; Q859-N861 PolarHBondContact O-N 3.17Å; N861-N864 PolarHBondContact O-N 3.09Å; N861-L865 VanDerWaalsContact O-CB 3.29Å; N861-L865 WeakPolarHBondContact O-CB 3.34Å; N861-L865 PolarHBondContact O-N 3.18Å |
| 862 | R | 81.6 | Confident | 72.9 | Confident | 67.75 Ų | 67.75 | 53.9 Ų | 53.9 | 26% | 0.256 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -62.7 | -42.5 | 173.7 | -97.4 | -177.6 | 151.3 | 98.2 | -0.7 | 112.2 | F842 D844 S858 Q859 L860 N864 L865 I866 L892 | F842-R862 HydrophobicContact CD1-CG 4.2Å; F842-R862 HydrophobicContact CE1-CG 4.25Å; F842-R862 PolarHBondContact O-NH2 3.03Å; D844-R862 VanDerWaalsContact CG-NH1 3.32Å; D844-R862 IonicContact OD1-CZ 3.17Å; D844-R862 IonicContact OD1-NH1 3.09Å; D844-R862 PolarHBondContact OD1-NH1 3.24Å; D844-R862 IonicContact OD1-NH2 3.07Å; D844-R862 PolarHBondContact OD1-NH2 3.07Å; D844-R862 IonicContact OD2-CZ 3.84Å; D844-R862 IonicContact OD2-NH1 3.11Å; D844-R862 PolarHBondContact OD2-NH1 3.3Å; D844-R862 VanDerWaalsContact OD2-NH1 3.12Å; D844-R862 IonicContact OD2-NH2 3.44Å; D844-R862 PolarHBondContact OD2-NH2 2.94Å; S858-R862 WeakPolarHBondContact O-CB 3.45Å; S858-R862 PolarHBondContact O-N 3.15Å; Q859-R862 WeakPolarHBondContact O-CA 3.29Å; Q859-R862 VanDerWaalsContact O-CB 3.3Å; Q859-R862 WeakPolarHBondContact O-CB 3.26Å; Q859-R862 PolarHBondContact O-N 3.23Å; Q859-R862 VanDerWaalsContact O-N 3.1Å; L860-R862 VanDerWaalsContact C-N 3.29Å; L860-R862 PolarHBondContact O-N 3.23Å; R862-N864 PolarHBondContact O-N 3.11Å; R862-L865 PolarHBondContact O-N 3.24Å; R862-I866 HydrophobicContact CG-CD1 4.31Å; R862-I866 WeakPolarHBondContact O-CB 3.35Å; R862-I866 VanDerWaalsContact O-CG1 3.28Å; R862-I866 WeakPolarHBondContact O-CG1 3.26Å; R862-I866 PolarHBondContact O-N 3.18Å; R862-L892 HydrophobicContact CB-CD1 3.81Å; R862-L892 HydrophobicContact CG-CD1 4.36Å |
| 863 | I | 79.8 | Confident | 74.9 | Confident | 48.25 Ų | 48.25 | 48.1 Ų | 48.1 | 25% | 0.247 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -61.4 | -47.1 | 176.7 | -68 | 167.2 | 0 | 0 | 0 | 110.8 | Q859 L860 L865 I866 S867 L892 L908 | Q859-I863 VanDerWaalsContact O-CG1 3.26Å; Q859-I863 WeakPolarHBondContact O-CG1 3.36Å; Q859-I863 PolarHBondContact O-N 3Å; L860-I863 PolarHBondContact O-N 3.13Å; I863-L865 VanDerWaalsContact C-N 3.33Å; I863-L865 PolarHBondContact O-N 3.18Å; I863-I866 PolarHBondContact O-N 2.83Å; I863-S867 WeakPolarHBondContact O-CB 3.28Å; I863-S867 PolarHBondContact O-N 3.07Å; I863-S867 PolarHBondContact O-OG 3.03Å; I863-L892 HydrophobicContact CD1-CB 4.46Å; I863-L892 HydrophobicContact CG1-CB 4.11Å; I863-L892 HydrophobicContact CG1-CD1 3.89Å; I863-L908 HydrophobicContact CG2-CD1 4.1Å; I863-L908 HydrophobicContact CG2-CD2 3.95Å; I863-L908 HydrophobicContact CG2-CG 3.86Å |
| 864 | N | 81.7 | Confident | 76.7 | Confident | 46.75 Ų | 46.75 | 49.5 Ų | 49.5 | 25% | 0.25 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -63.7 | -41 | 177.8 | -73.8 | -28 | 0 | 0 | 0 | 111.9 | M786 Y790 L860 N861 R862 S867 A868 | M786-N864 HydrophobicContact CE-CB 3.89Å; M786-N864 HydrophobicContact SD-CB 4.24Å; Y790-N864 WeakPolarHBondContact OH-CA 3.35Å; Y790-N864 WeakPolarHBondContact OH-CB 3.18Å; Y790-N864 PolarHBondContact OH-O 3.01Å; Y790-N864 PolarHBondContact OH-OD1 3.06Å; L860-N864 WeakPolarHBondContact O-CB 3.42Å; L860-N864 VanDerWaalsContact O-CG 3.31Å; L860-N864 PolarHBondContact O-N 3.17Å; L860-N864 PolarHBondContact O-ND2 3.11Å; N861-N864 PolarHBondContact O-N 3.09Å; R862-N864 PolarHBondContact O-N 3.11Å; N864-S867 WeakPolarHBondContact O-CB 3.21Å; N864-S867 PolarHBondContact O-N 3.15Å; N864-A868 WeakPolarHBondContact O-CB 3.34Å; N864-A868 PolarHBondContact O-N 3.14Å |
| 865 | L | 88 | Confident | 78.5 | Confident | 3.5 Ų | 3.5 | 46.8 Ų | 46.8 | 2% | 0.018 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -65.1 | -43.4 | 177.3 | -172 | 62.8 | 0 | 0 | 0 | 112.1 | Y782 L785 M786 F841 F842 N861 R862 I863 S867 A868 I869 | Y782-L865 HydrophobicContact CD2-CD1 3.9Å; Y782-L865 HydrophobicContact CD2-CD2 4.11Å; Y782-L865 HydrophobicContact CE2-CD1 3.96Å; Y782-L865 HydrophobicContact CE2-CD2 3.66Å; Y782-L865 HydrophobicContact CE2-CG 4.36Å; L785-L865 HydrophobicContact CB-CD1 4.22Å; L785-L865 HydrophobicContact CD1-CD1 4.13Å; M786-L865 HydrophobicContact CG-CD1 4.45Å; M786-L865 HydrophobicContact SD-CB 3.84Å; M786-L865 HydrophobicContact SD-CD1 4.08Å; M786-L865 HydrophobicContact SD-CG 4.47Å; F841-L865 HydrophobicContact CB-CD2 3.96Å; F841-L865 HydrophobicContact CG-CD2 4.45Å; F841-L865 WeakPolarHBondContact O-CD2 3.34Å; F842-L865 HydrophobicContact CD1-CD2 4.29Å; F842-L865 HydrophobicContact CE1-CB 4.22Å; F842-L865 HydrophobicContact CE1-CD2 3.77Å; F842-L865 HydrophobicContact CE1-CG 4.14Å; F842-L865 HydrophobicContact CE2-CD2 4.35Å; F842-L865 HydrophobicContact CE2-CG 4.41Å; F842-L865 HydrophobicContact CZ-CB 4.24Å; F842-L865 HydrophobicContact CZ-CD2 3.81Å; F842-L865 HydrophobicContact CZ-CG 3.81Å; N861-L865 VanDerWaalsContact O-CB 3.29Å; N861-L865 WeakPolarHBondContact O-CB 3.34Å; N861-L865 PolarHBondContact O-N 3.18Å; R862-L865 PolarHBondContact O-N 3.24Å; I863-L865 VanDerWaalsContact C-N 3.33Å; I863-L865 PolarHBondContact O-N 3.18Å; L865-S867 VanDerWaalsContact C-N 3.28Å; L865-S867 PolarHBondContact O-N 3.11Å; L865-A868 PolarHBondContact O-N 3.35Å; L865-I869 HydrophobicContact CD1-CD1 4.16Å; L865-I869 HydrophobicContact CG-CD1 3.89Å; L865-I869 VanDerWaalsContact O-CB 3.31Å; L865-I869 WeakPolarHBondContact O-CB 3.48Å; L865-I869 WeakPolarHBondContact O-CD1 3.32Å; L865-I869 VanDerWaalsContact O-CG1 3.28Å; L865-I869 WeakPolarHBondContact O-CG1 3.41Å; L865-I869 PolarHBondContact O-N 2.93Å |
| 866 | I | 88.1 | Confident | 80.6 | Confident | 7.25 Ų | 7.25 | 40.2 Ų | 40.2 | 4% | 0.037 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -58.8 | -45.1 | 173.3 | -72.3 | 167 | 0 | 0 | 0 | 110.1 | F842 R862 I863 A868 I869 G870 Y884 F885 N888 R889 L892 | F842-I866 HydrophobicContact CE1-CD1 4.18Å; F842-I866 HydrophobicContact CE1-CG1 3.58Å; F842-I866 VanDerWaalsContact CE1-CG1 3.47Å; F842-I866 HydrophobicContact CZ-CB 4.46Å; F842-I866 HydrophobicContact CZ-CD1 4.36Å; F842-I866 HydrophobicContact CZ-CG1 3.49Å; F842-I866 VanDerWaalsContact CZ-CG1 3.48Å; R862-I866 HydrophobicContact CG-CD1 4.31Å; R862-I866 WeakPolarHBondContact O-CB 3.35Å; R862-I866 VanDerWaalsContact O-CG1 3.28Å; R862-I866 WeakPolarHBondContact O-CG1 3.26Å; R862-I866 PolarHBondContact O-N 3.18Å; I863-I866 PolarHBondContact O-N 2.83Å; I866-A868 PolarHBondContact O-N 2.73Å; I866-I869 PolarHBondContact O-N 3.25Å; I866-G870 PolarHBondContact O-N 3.17Å; I866-Y884 HydrophobicContact CG1-CE1 4.35Å; I866-F885 HydrophobicContact CG2-CD2 3.69Å; I866-F885 HydrophobicContact CG2-CE2 4.23Å; I866-F885 VanDerWaalsContact O-CD2 3.26Å; I866-F885 WeakPolarHBondContact O-CD2 3.29Å; I866-N888 HydrophobicContact CD1-CB 4.05Å; I866-R889 HydrophobicContact CG2-CB 4.3Å; I866-L892 HydrophobicContact CD1-CD1 3.41Å; I866-L892 HydrophobicContact CD1-CG 4.41Å |
| 867 | S | 87.5 | Confident | 82.7 | Confident | 20 Ų | 20 | 41 Ų | 41 | 14% | 0.14 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -63.5 | -42.9 | 178.2 | -60.2 | 0 | 0 | 0 | 0 | 112.4 | Y790 I863 N864 L865 I869 G870 S871 I911 | Y790-S867 VanDerWaalsContact CE2-CB 3.45Å; I863-S867 WeakPolarHBondContact O-CB 3.28Å; I863-S867 PolarHBondContact O-N 3.07Å; I863-S867 PolarHBondContact O-OG 3.03Å; N864-S867 WeakPolarHBondContact O-CB 3.21Å; N864-S867 PolarHBondContact O-N 3.15Å; L865-S867 VanDerWaalsContact C-N 3.28Å; L865-S867 PolarHBondContact O-N 3.11Å; S867-I869 VanDerWaalsContact C-N 3.32Å; S867-I869 PolarHBondContact O-N 2.88Å; S867-G870 PolarHBondContact O-N 3.18Å; S867-S871 VanDerWaalsContact O-CB 3.24Å; S867-S871 WeakPolarHBondContact O-CB 3.29Å; S867-S871 PolarHBondContact O-N 3.04Å; S867-I911 WeakPolarHBondContact O-CD1 3.37Å |
| 868 | A | 89.3 | Confident | 84.7 | Confident | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -61.6 | -42.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | L785 Y790 L793 N864 L865 I866 S871 I872 | L785-A868 HydrophobicContact CB-CB 3.96Å; L785-A868 HydrophobicContact CD2-CB 4.1Å; L785-A868 HydrophobicContact CG-CB 4.5Å; L785-A868 VanDerWaalsContact O-CB 3.24Å; L785-A868 WeakPolarHBondContact O-CB 3.37Å; Y790-A868 HydrophobicContact CD1-CB 4.19Å; Y790-A868 HydrophobicContact CE1-CB 3.79Å; L793-A868 HydrophobicContact CD1-CB 3.88Å; N864-A868 WeakPolarHBondContact O-CB 3.34Å; N864-A868 PolarHBondContact O-N 3.14Å; L865-A868 PolarHBondContact O-N 3.35Å; I866-A868 PolarHBondContact O-N 2.73Å; A868-S871 PolarHBondContact O-N 3.44Å; A868-I872 WeakPolarHBondContact O-CG2 3.21Å; A868-I872 PolarHBondContact O-N 3.16Å |
| 869 | I | 92 | Very high | 85.8 | Confident | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -66.4 | -41.9 | 178.2 | -75.9 | 167 | 0 | 0 | 0 | 111.8 | L785 L838 F841 F842 L865 I866 S867 S871 I872 G873 Y881 Y884 | L785-I869 HydrophobicContact CD1-CG1 4.42Å; L838-I869 HydrophobicContact CD2-CD1 3.72Å; L838-I869 HydrophobicContact CD2-CG1 4.2Å; L838-I869 HydrophobicContact CD2-CG2 3.78Å; F841-I869 HydrophobicContact CD2-CD1 4.17Å; F842-I869 HydrophobicContact CD2-CD1 4.43Å; F842-I869 HydrophobicContact CE2-CD1 3.36Å; F842-I869 VanDerWaalsContact CE2-CD1 3.44Å; F842-I869 HydrophobicContact CZ-CD1 3.66Å; L865-I869 HydrophobicContact CD1-CD1 4.16Å; L865-I869 HydrophobicContact CG-CD1 3.89Å; L865-I869 VanDerWaalsContact O-CB 3.31Å; L865-I869 WeakPolarHBondContact O-CB 3.48Å; L865-I869 WeakPolarHBondContact O-CD1 3.32Å; L865-I869 VanDerWaalsContact O-CG1 3.28Å; L865-I869 WeakPolarHBondContact O-CG1 3.41Å; L865-I869 PolarHBondContact O-N 2.93Å; I866-I869 PolarHBondContact O-N 3.25Å; S867-I869 VanDerWaalsContact C-N 3.32Å; S867-I869 PolarHBondContact O-N 2.88Å; I869-S871 VanDerWaalsContact C-N 3.34Å; I869-I872 VanDerWaalsContact O-CG2 3.31Å; I869-I872 WeakPolarHBondContact O-CG2 3.36Å; I869-G873 WeakPolarHBondContact O-CA 3.22Å; I869-G873 PolarHBondContact O-N 2.99Å; I869-Y881 HydrophobicContact CB-CD1 4.39Å; I869-Y881 HydrophobicContact CG1-CD1 4.4Å; I869-Y881 HydrophobicContact CG1-CE1 4.47Å; I869-Y881 HydrophobicContact CG2-CD1 3.77Å; I869-Y881 HydrophobicContact CG2-CE1 4.48Å; I869-Y881 HydrophobicContact CG2-CG 4.25Å; I869-Y884 HydrophobicContact CG2-CD1 4.37Å |
| 870 | G | 88.4 | Confident | 86.8 | Confident | 0.5 Ų | 0.5 | 35.9 Ų | 35.9 | 1% | 0.005 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -61.6 | -44.3 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | I866 S867 G873 Y874 F885 | I866-G870 PolarHBondContact O-N 3.17Å; S867-G870 PolarHBondContact O-N 3.18Å; G870-G873 WeakPolarHBondContact O-CA 3.33Å; G870-G873 PolarHBondContact O-N 3.17Å; G870-G873 VanDerWaalsContact O-N 3.15Å; G870-Y874 VanDerWaalsContact O-CD2 3.23Å; G870-Y874 WeakPolarHBondContact O-CD2 3.38Å; G870-Y874 PolarHBondContact O-N 3.12Å; G870-F885 VanDerWaalsContact CA-CB 3.46Å; G870-F885 VanDerWaalsContact CA-CD2 3.44Å; G870-F885 VanDerWaalsContact CA-CG 3.44Å |
| 871 | S | 88.9 | Confident | 88 | Confident | 18.5 Ų | 18.5 | 32.9 Ų | 32.9 | 13% | 0.129 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -63 | -49.4 | -178.5 | -160 | 0 | 0 | 0 | 0 | 112.4 | Y790 S867 A868 I869 G873 Y874 Q875 | Y790-S871 WeakPolarHBondContact CB-OG 3.48Å; Y790-S871 PolarHBondContact O-OG 3.04Å; S867-S871 VanDerWaalsContact O-CB 3.24Å; S867-S871 WeakPolarHBondContact O-CB 3.29Å; S867-S871 PolarHBondContact O-N 3.04Å; A868-S871 PolarHBondContact O-N 3.44Å; I869-S871 VanDerWaalsContact C-N 3.34Å; S871-G873 VanDerWaalsContact C-N 3.3Å; S871-G873 PolarHBondContact O-N 3.17Å; S871-Y874 PolarHBondContact O-N 3.3Å; S871-Q875 VanDerWaalsContact O-CB 3.28Å; S871-Q875 WeakPolarHBondContact O-CB 3.34Å; S871-Q875 VanDerWaalsContact O-CG 3.23Å; S871-Q875 WeakPolarHBondContact O-CG 3.35Å; S871-Q875 PolarHBondContact O-N 3.08Å; S871-Q875 PolarHBondContact O-NE2 2.95Å; S871-Q875 PolarHBondContact OG-NE2 2.94Å |
| 872 | I | 91.6 | Very high | 88.8 | Confident | 0.75 Ų | 0.75 | 32.4 Ų | 32.4 | 0% | 0.004 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -64.4 | -38 | 173.8 | -148.5 | 172.4 | 0 | 0 | 0 | 111.3 | L785 L793 F797 A868 I869 Y874 Q875 L876 W878 Y881 | L785-I872 HydrophobicContact CD2-CD1 3.42Å; L785-I872 VanDerWaalsContact CD2-CD1 3.42Å; L785-I872 HydrophobicContact CD2-CG1 4.38Å; L785-I872 HydrophobicContact CD2-CG2 4.35Å; L793-I872 HydrophobicContact CB-CB 4.45Å; L793-I872 HydrophobicContact CB-CD1 3.94Å; L793-I872 HydrophobicContact CB-CG1 3.56Å; L793-I872 HydrophobicContact CD1-CD1 4.41Å; L793-I872 HydrophobicContact CD1-CG1 4.16Å; L793-I872 HydrophobicContact CG-CG1 4.45Å; F797-I872 HydrophobicContact CB-CD1 3.89Å; F797-I872 HydrophobicContact CD1-CD1 3.44Å; F797-I872 HydrophobicContact CD2-CD1 3.8Å; F797-I872 HydrophobicContact CE1-CD1 3.79Å; F797-I872 HydrophobicContact CE2-CD1 4.11Å; F797-I872 HydrophobicContact CG-CD1 3.43Å; F797-I872 HydrophobicContact CZ-CD1 4.11Å; A868-I872 WeakPolarHBondContact O-CG2 3.21Å; A868-I872 PolarHBondContact O-N 3.16Å; I869-I872 VanDerWaalsContact O-CG2 3.31Å; I869-I872 WeakPolarHBondContact O-CG2 3.36Å; I872-Y874 PolarHBondContact O-N 2.93Å; I872-Q875 PolarHBondContact O-N 3.22Å; I872-L876 HydrophobicContact CD1-CD1 4.05Å; I872-L876 HydrophobicContact CG1-CD1 3.69Å; I872-L876 HydrophobicContact CG1-CG 4.13Å; I872-L876 HydrophobicContact CG2-CD1 3.95Å; I872-L876 HydrophobicContact CG2-CG 4.3Å; I872-L876 WeakPolarHBondContact O-CB 3.34Å; I872-L876 PolarHBondContact O-N 3.03Å; I872-W878 HydrophobicContact CD1-CE3 4.44Å; I872-W878 HydrophobicContact CD1-CH2 3.96Å; I872-W878 HydrophobicContact CD1-CZ3 3.77Å; I872-W878 HydrophobicContact CG1-CE3 4.37Å; I872-W878 HydrophobicContact CG1-CH2 4.39Å; I872-W878 HydrophobicContact CG1-CZ3 4.04Å; I872-W878 HydrophobicContact CG2-CD2 4.29Å; I872-W878 HydrophobicContact CG2-CE3 3.69Å; I872-W878 HydrophobicContact CG2-CH2 4.15Å; I872-W878 HydrophobicContact CG2-CZ3 3.6Å; I872-Y881 HydrophobicContact CG2-CD1 3.83Å; I872-Y881 HydrophobicContact CG2-CE1 4.26Å |
| 873 | G | 90.8 | Very high | 89.2 | Confident | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -54.5 | -53.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | I869 G870 S871 K877 W878 I882 | I869-G873 WeakPolarHBondContact O-CA 3.22Å; I869-G873 PolarHBondContact O-N 2.99Å; G870-G873 WeakPolarHBondContact O-CA 3.33Å; G870-G873 PolarHBondContact O-N 3.17Å; G870-G873 VanDerWaalsContact O-N 3.15Å; S871-G873 VanDerWaalsContact C-N 3.3Å; S871-G873 PolarHBondContact O-N 3.17Å; G873-K877 CarbonylContact O-C 3.44Å; G873-K877 WeakPolarHBondContact O-CA 3.41Å; G873-K877 PolarHBondContact O-N 3.08Å; G873-W878 PolarHBondContact O-N 3.06Å; G873-I882 VanDerWaalsContact C-CG1 3.48Å; G873-I882 WeakPolarHBondContact O-CD1 3.33Å; G873-I882 WeakPolarHBondContact O-CG1 3.36Å |
| 874 | Y | 89.2 | Confident | 89.7 | Confident | 75.75 Ų | 75.75 | 34.9 Ų | 34.9 | 30% | 0.297 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -73.4 | -38.6 | 178.3 | -70.5 | -68.4 | 0 | 0 | 0 | 113.2 | G870 S871 I872 L876 K877 I882 F885 E886 I911 I913 | G870-Y874 VanDerWaalsContact O-CD2 3.23Å; G870-Y874 WeakPolarHBondContact O-CD2 3.38Å; G870-Y874 PolarHBondContact O-N 3.12Å; S871-Y874 PolarHBondContact O-N 3.3Å; I872-Y874 PolarHBondContact O-N 2.93Å; Y874-L876 VanDerWaalsContact C-N 3.33Å; Y874-L876 PolarHBondContact O-N 3.02Å; Y874-K877 WeakPolarHBondContact O-CE 3.44Å; Y874-K877 PolarHBondContact O-N 3.22Å; Y874-I882 HydrophobicContact CD1-CD1 3.83Å; Y874-I882 HydrophobicContact CD1-CG1 3.85Å; Y874-I882 HydrophobicContact CD1-CG2 4.35Å; Y874-I882 HydrophobicContact CE1-CB 4.27Å; Y874-I882 HydrophobicContact CE1-CD1 4.15Å; Y874-I882 HydrophobicContact CE1-CG1 4Å; Y874-I882 HydrophobicContact CE1-CG2 3.62Å; Y874-I882 VanDerWaalsContact CE1-CG2 3.47Å; Y874-I882 HydrophobicContact CG-CD1 4.42Å; Y874-I882 HydrophobicContact CG-CG1 4.19Å; Y874-F885 HydrophobicContact CD2-CD1 4.47Å; Y874-F885 HydrophobicContact CD2-CE1 4.47Å; Y874-F885 AromaticContact CE2-CD1 3.66Å; Y874-F885 HydrophobicContact CE2-CD1 3.66Å; Y874-F885 AromaticContact CE2-CE1 3.8Å; Y874-F885 HydrophobicContact CE2-CE1 3.8Å; Y874-E886 VanDerWaalsContact OH-CG 3.29Å; Y874-E886 WeakPolarHBondContact OH-CG 3.32Å; Y874-E886 PolarHBondContact OH-OE1 3Å; Y874-I911 HydrophobicContact CD2-CG2 4.28Å; Y874-I911 HydrophobicContact CE2-CG2 4.46Å; Y874-I913 HydrophobicContact CD1-CB 4.34Å; Y874-I913 HydrophobicContact CD1-CD1 4.3Å; Y874-I913 HydrophobicContact CD1-CG1 3.85Å; Y874-I913 HydrophobicContact CD1-CG2 3.75Å; Y874-I913 HydrophobicContact CD2-CD1 3.84Å; Y874-I913 HydrophobicContact CD2-CG1 3.7Å; Y874-I913 VanDerWaalsContact CD2-CG1 3.48Å; Y874-I913 HydrophobicContact CE1-CD1 4.05Å; Y874-I913 HydrophobicContact CE1-CG1 4.08Å; Y874-I913 HydrophobicContact CE1-CG2 4.36Å; Y874-I913 HydrophobicContact CE2-CD1 3.56Å; Y874-I913 HydrophobicContact CE2-CG1 3.93Å; Y874-I913 HydrophobicContact CG-CB 4.42Å; Y874-I913 HydrophobicContact CG-CD1 4.2Å; Y874-I913 HydrophobicContact CG-CG1 3.65Å; Y874-I913 HydrophobicContact CG-CG2 3.94Å |
| 875 | Q | 88.2 | Confident | 90.2 | Very high | 68.5 Ų | 68.5 | 33.7 Ų | 33.7 | 32% | 0.32 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -63.6 | -38.7 | 179.2 | -74.8 | 173.2 | 32.4 | 0 | 0 | 112.7 | Y790 S791 G794 S871 I872 K877 | Y790-Q875 PolarHBondContact O-NE2 3.22Å; S791-Q875 PolarHBondContact O-OE1 2.83Å; G794-Q875 VanDerWaalsContact CA-OE1 3.27Å; S871-Q875 VanDerWaalsContact O-CB 3.28Å; S871-Q875 WeakPolarHBondContact O-CB 3.34Å; S871-Q875 VanDerWaalsContact O-CG 3.23Å; S871-Q875 WeakPolarHBondContact O-CG 3.35Å; S871-Q875 PolarHBondContact O-N 3.08Å; S871-Q875 PolarHBondContact O-NE2 2.95Å; S871-Q875 PolarHBondContact OG-NE2 2.94Å; I872-Q875 PolarHBondContact O-N 3.22Å; Q875-K877 WeakPolarHBondContact O-CE 3.43Å; Q875-K877 PolarHBondContact O-NZ 3.21Å |
| 876 | L | 91.3 | Very high | 90.1 | Very high | 38 Ų | 38 | 38.2 Ų | 38.2 | 20% | 0.199 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -102.9 | 1.5 | -179 | -58.4 | -174.6 | 0 | 0 | 0 | 113.8 | F797 I802 I872 Y874 W878 | F797-L876 HydrophobicContact CB-CD1 4.19Å; I802-L876 HydrophobicContact CD1-CD1 4.38Å; I872-L876 HydrophobicContact CD1-CD1 4.05Å; I872-L876 HydrophobicContact CG1-CD1 3.69Å; I872-L876 HydrophobicContact CG1-CG 4.13Å; I872-L876 HydrophobicContact CG2-CD1 3.95Å; I872-L876 HydrophobicContact CG2-CG 4.3Å; I872-L876 WeakPolarHBondContact O-CB 3.34Å; I872-L876 PolarHBondContact O-N 3.03Å; Y874-L876 VanDerWaalsContact C-N 3.33Å; Y874-L876 PolarHBondContact O-N 3.02Å; L876-W878 VanDerWaalsContact C-N 3.34Å; L876-W878 HydrophobicContact CB-CD2 4.13Å; L876-W878 HydrophobicContact CB-CG 4.13Å; L876-W878 HydrophobicContact CB-CZ2 4.31Å; L876-W878 HydrophobicContact CD1-CD2 4.46Å; L876-W878 HydrophobicContact CD1-CH2 3.9Å; L876-W878 HydrophobicContact CD1-CZ2 3.45Å; L876-W878 VanDerWaalsContact CD1-CZ2 3.46Å; L876-W878 HydrophobicContact CD1-CZ3 4.44Å; L876-W878 HydrophobicContact CG-CZ2 4.42Å; L876-W878 VanDerWaalsContact O-CD1 3.24Å; L876-W878 PolarHBondContact O-N 2.99Å |
| 877 | K | 90.3 | Very high | 90.1 | Very high | 140 Ų | 140 | 42.3 Ų | 42.3 | 61% | 0.609 | 20% | 0.204 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55.5 | 47.9 | -178.5 | -55.8 | 162 | -171 | -178.6 | 0 | 112.7 | G873 Y874 Q875 P879 S1209 R1211 | G873-K877 CarbonylContact O-C 3.44Å; G873-K877 WeakPolarHBondContact O-CA 3.41Å; G873-K877 PolarHBondContact O-N 3.08Å; Y874-K877 WeakPolarHBondContact O-CE 3.44Å; Y874-K877 PolarHBondContact O-N 3.22Å; Q875-K877 WeakPolarHBondContact O-CE 3.43Å; Q875-K877 PolarHBondContact O-NZ 3.21Å; K877-P879 VanDerWaalsContact O-CD 3.28Å; K877-P879 WeakPolarHBondContact O-CD 3.34Å; K877-S1209 WeakPolarHBondContact CE-O 3.37Å; K877-S1209 PolarHBondContact NZ-O 2.97Å; K877-R1211 HydrophobicContact CB-CB 4.36Å; K877-R1211 HydrophobicContact CD-CB 3.95Å; K877-R1211 HydrophobicContact CD-CG 3.93Å; K877-R1211 HydrophobicContact CG-CB 3.93Å; K877-R1211 HydrophobicContact CG-CG 4.46Å |
| 878 | W | 93.3 | Very high | 89.8 | Confident | 16 Ų | 16 | 42.6 Ų | 42.6 | 6% | 0.061 | 20% | 0.204 | C | C | . | . | trans | -90.4 | 104.6 | 179.6 | -69.8 | -1.9 | 0 | 0 | 0 | 110.9 | I802 W816 P817 I872 G873 L876 A880 Y881 I882 | I802-W878 HydrophobicContact CD1-CH2 3.64Å; I802-W878 HydrophobicContact CD1-CZ2 3.4Å; I802-W878 VanDerWaalsContact CD1-CZ2 3.43Å; I802-W878 HydrophobicContact CG1-CH2 4.41Å; I802-W878 HydrophobicContact CG1-CZ2 4.47Å; W816-W878 HydrophobicContact CB-CD2 4.44Å; W816-W878 HydrophobicContact CB-CE3 4.36Å; W816-W878 HydrophobicContact CB-CH2 3.55Å; W816-W878 VanDerWaalsContact CB-CH2 3.47Å; W816-W878 HydrophobicContact CB-CZ2 3.62Å; W816-W878 HydrophobicContact CB-CZ3 3.94Å; W816-W878 AromaticContact CD2-CH2 3.96Å; W816-W878 HydrophobicContact CD2-CH2 4.04Å; W816-W878 HydrophobicContact CD2-CZ3 4.48Å; W816-W878 AromaticContact CE3-CH2 3.74Å; W816-W878 HydrophobicContact CE3-CH2 3.74Å; W816-W878 AromaticContact CE3-CZ3 3.9Å; W816-W878 HydrophobicContact CE3-CZ3 3.9Å; W816-W878 AromaticContact CG-CH2 3.98Å; W816-W878 HydrophobicContact CG-CH2 4.02Å; W816-W878 HydrophobicContact CG-CZ2 4.33Å; P817-W878 HydrophobicContact CB-CB 4.39Å; P817-W878 HydrophobicContact CB-CG 4.02Å; P817-W878 HydrophobicContact CG-CG 4.4Å; P817-W878 CarbonylContact O-C 3.56Å; I872-W878 HydrophobicContact CD1-CE3 4.44Å; I872-W878 HydrophobicContact CD1-CH2 3.96Å; I872-W878 HydrophobicContact CD1-CZ3 3.77Å; I872-W878 HydrophobicContact CG1-CE3 4.37Å; I872-W878 HydrophobicContact CG1-CH2 4.39Å; I872-W878 HydrophobicContact CG1-CZ3 4.04Å; I872-W878 HydrophobicContact CG2-CD2 4.29Å; I872-W878 HydrophobicContact CG2-CE3 3.69Å; I872-W878 HydrophobicContact CG2-CH2 4.15Å; I872-W878 HydrophobicContact CG2-CZ3 3.6Å; G873-W878 PolarHBondContact O-N 3.06Å; L876-W878 VanDerWaalsContact C-N 3.34Å; L876-W878 HydrophobicContact CB-CD2 4.13Å; L876-W878 HydrophobicContact CB-CG 4.13Å; L876-W878 HydrophobicContact CB-CZ2 4.31Å; L876-W878 HydrophobicContact CD1-CD2 4.46Å; L876-W878 HydrophobicContact CD1-CH2 3.9Å; L876-W878 HydrophobicContact CD1-CZ2 3.45Å; L876-W878 VanDerWaalsContact CD1-CZ2 3.46Å; L876-W878 HydrophobicContact CD1-CZ3 4.44Å; L876-W878 HydrophobicContact CG-CZ2 4.42Å; L876-W878 VanDerWaalsContact O-CD1 3.24Å; L876-W878 PolarHBondContact O-N 2.99Å; W878-A880 VanDerWaalsContact C-N 3.31Å; W878-A880 PolarHBondContact O-N 3.3Å; W878-Y881 HydrophobicContact CB-CD2 4.12Å; W878-Y881 HydrophobicContact CB-CG 4.23Å; W878-Y881 HydrophobicContact CD2-CD2 4.5Å; W878-Y881 AromaticContact CE3-CD1 3.84Å; W878-Y881 HydrophobicContact CE3-CD1 3.84Å; W878-Y881 AromaticContact CE3-CD2 3.79Å; W878-Y881 HydrophobicContact CE3-CD2 3.79Å; W878-Y881 AromaticContact CE3-CE1 3.85Å; W878-Y881 HydrophobicContact CE3-CE1 3.85Å; W878-Y881 AromaticContact CE3-CE2 3.81Å; W878-Y881 HydrophobicContact CE3-CE2 3.81Å; W878-Y881 AromaticContact CE3-CG 3.83Å; W878-Y881 HydrophobicContact CE3-CG 3.83Å; W878-Y881 AromaticContact CE3-CZ 3.85Å; W878-Y881 HydrophobicContact CZ3-CD1 4.29Å; W878-Y881 AromaticContact CZ3-CE1 3.89Å; W878-Y881 HydrophobicContact CZ3-CE1 3.89Å; W878-Y881 HydrophobicContact CZ3-CE2 4.27Å; W878-Y881 AromaticContact CZ3-CZ 3.85Å; W878-Y881 PolarHBondContact O-N 3.05Å; W878-Y881 VanDerWaalsContact O-N 3.13Å; W878-I882 WeakPolarHBondContact O-CG1 3.4Å; W878-I882 PolarHBondContact O-N 3.08Å | ||
| 879 | P | 88.7 | Confident | 89.3 | Confident | 68.75 Ų | 68.75 | 47.6 Ų | 47.6 | 45% | 0.446 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -61.2 | -35.5 | -171.2 | 23.6 | -35.5 | 0 | 0 | 0 | 113.5 | P817 L818 K877 Y881 K883 | P817-P879 VanDerWaalsContact O-CD 3.25Å; P817-P879 WeakPolarHBondContact O-CD 3.4Å; L818-P879 HydrophobicContact CD2-CG 4.05Å; K877-P879 VanDerWaalsContact O-CD 3.28Å; K877-P879 WeakPolarHBondContact O-CD 3.34Å; P879-Y881 VanDerWaalsContact C-N 3.32Å; P879-Y881 PolarHBondContact O-N 3.27Å; P879-K883 VanDerWaalsContact O-CB 3.23Å; P879-K883 WeakPolarHBondContact O-CB 3.42Å; P879-K883 PolarHBondContact O-N 3.2Å |
| 880 | A | 90.5 | Very high | 88.4 | Confident | 24.75 Ų | 24.75 | 53.1 Ų | 53.1 | 21% | 0.205 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -66.6 | -37.1 | 178 | 0 | 0 | 0 | 0 | 0 | 112.4 | P817 L818 D819 L838 W878 Y884 | P817-A880 WeakPolarHBondContact O-CB 3.45Å; P817-A880 PolarHBondContact O-N 3.24Å; P817-A880 VanDerWaalsContact O-N 3.15Å; L818-A880 VanDerWaalsContact C-CB 3.42Å; D819-A880 HydrophobicContact CB-CB 3.94Å; L838-A880 HydrophobicContact CD1-CB 4.5Å; W878-A880 VanDerWaalsContact C-N 3.31Å; W878-A880 PolarHBondContact O-N 3.3Å; A880-Y884 VanDerWaalsContact O-CB 3.22Å; A880-Y884 WeakPolarHBondContact O-CB 3.41Å; A880-Y884 PolarHBondContact O-N 2.98Å |
| 881 | Y | 94.8 | Very high | 87.4 | Confident | 3.75 Ų | 3.75 | 58.9 Ų | 58.9 | 2% | 0.015 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -76.7 | -41.2 | -178.5 | -75.8 | -122.6 | 0 | 0 | 0 | 111.1 | W816 D819 L838 I869 I872 W878 P879 Y884 F885 | W816-Y881 WeakPolarHBondContact O-CE2 3.32Å; D819-Y881 HydrophobicContact CB-CD2 4.46Å; D819-Y881 HydrophobicContact CB-CE2 3.93Å; L838-Y881 HydrophobicContact CD1-CD2 4.13Å; L838-Y881 HydrophobicContact CD1-CE2 4.23Å; L838-Y881 HydrophobicContact CD1-CG 4.44Å; L838-Y881 HydrophobicContact CD2-CD1 4.17Å; L838-Y881 HydrophobicContact CD2-CE1 4Å; L838-Y881 HydrophobicContact CD2-CE2 4.42Å; L838-Y881 HydrophobicContact CD2-CG 4.42Å; L838-Y881 HydrophobicContact CG-CE2 4.29Å; I869-Y881 HydrophobicContact CB-CD1 4.39Å; I869-Y881 HydrophobicContact CG1-CD1 4.4Å; I869-Y881 HydrophobicContact CG1-CE1 4.47Å; I869-Y881 HydrophobicContact CG2-CD1 3.77Å; I869-Y881 HydrophobicContact CG2-CE1 4.48Å; I869-Y881 HydrophobicContact CG2-CG 4.25Å; I872-Y881 HydrophobicContact CG2-CD1 3.83Å; I872-Y881 HydrophobicContact CG2-CE1 4.26Å; W878-Y881 HydrophobicContact CB-CD2 4.12Å; W878-Y881 HydrophobicContact CB-CG 4.23Å; W878-Y881 HydrophobicContact CD2-CD2 4.5Å; W878-Y881 AromaticContact CE3-CD1 3.84Å; W878-Y881 HydrophobicContact CE3-CD1 3.84Å; W878-Y881 AromaticContact CE3-CD2 3.79Å; W878-Y881 HydrophobicContact CE3-CD2 3.79Å; W878-Y881 AromaticContact CE3-CE1 3.85Å; W878-Y881 HydrophobicContact CE3-CE1 3.85Å; W878-Y881 AromaticContact CE3-CE2 3.81Å; W878-Y881 HydrophobicContact CE3-CE2 3.81Å; W878-Y881 AromaticContact CE3-CG 3.83Å; W878-Y881 HydrophobicContact CE3-CG 3.83Å; W878-Y881 AromaticContact CE3-CZ 3.85Å; W878-Y881 HydrophobicContact CZ3-CD1 4.29Å; W878-Y881 AromaticContact CZ3-CE1 3.89Å; W878-Y881 HydrophobicContact CZ3-CE1 3.89Å; W878-Y881 HydrophobicContact CZ3-CE2 4.27Å; W878-Y881 AromaticContact CZ3-CZ 3.85Å; W878-Y881 PolarHBondContact O-N 3.05Å; W878-Y881 VanDerWaalsContact O-N 3.13Å; P879-Y881 VanDerWaalsContact C-N 3.32Å; P879-Y881 PolarHBondContact O-N 3.27Å; Y881-Y884 PolarHBondContact O-N 3.26Å; Y881-F885 VanDerWaalsContact O-CB 3.31Å; Y881-F885 WeakPolarHBondContact O-CB 3.4Å; Y881-F885 PolarHBondContact O-N 3.3Å |
| 882 | I | 91.3 | Very high | 85.9 | Confident | 31.25 Ų | 31.25 | 60.2 Ų | 60.2 | 16% | 0.16 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -58.6 | -52.6 | 172.1 | -68.2 | 170.3 | 0 | 0 | 0 | 109.7 | G873 Y874 W878 Y884 F885 E886 | G873-I882 VanDerWaalsContact C-CG1 3.48Å; G873-I882 WeakPolarHBondContact O-CD1 3.33Å; G873-I882 WeakPolarHBondContact O-CG1 3.36Å; Y874-I882 HydrophobicContact CD1-CD1 3.83Å; Y874-I882 HydrophobicContact CD1-CG1 3.85Å; Y874-I882 HydrophobicContact CD1-CG2 4.35Å; Y874-I882 HydrophobicContact CE1-CB 4.27Å; Y874-I882 HydrophobicContact CE1-CD1 4.15Å; Y874-I882 HydrophobicContact CE1-CG1 4Å; Y874-I882 HydrophobicContact CE1-CG2 3.62Å; Y874-I882 VanDerWaalsContact CE1-CG2 3.47Å; Y874-I882 HydrophobicContact CG-CD1 4.42Å; Y874-I882 HydrophobicContact CG-CG1 4.19Å; W878-I882 WeakPolarHBondContact O-CG1 3.4Å; W878-I882 PolarHBondContact O-N 3.08Å; I882-Y884 VanDerWaalsContact C-N 3.34Å; I882-Y884 PolarHBondContact O-N 3.18Å; I882-F885 WeakPolarHBondContact O-CB 3.26Å; I882-F885 PolarHBondContact O-N 3.12Å; I882-F885 VanDerWaalsContact O-N 3.14Å; I882-E886 HydrophobicContact CG2-CG 4.32Å; I882-E886 WeakPolarHBondContact CG2-OE1 3.38Å; I882-E886 WeakPolarHBondContact O-CB 3.31Å; I882-E886 WeakPolarHBondContact O-CG 3.21Å; I882-E886 PolarHBondContact O-N 3.06Å |
| 883 | K | 90.1 | Very high | 84 | Confident | 120.25 Ų | 120.25 | 65.3 Ų | 65.3 | 52% | 0.523 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -57 | -47.4 | 178.3 | -179.8 | 178.9 | 174.1 | -179 | 0 | 111.5 | P879 F885 E886 E887 | P879-K883 VanDerWaalsContact O-CB 3.23Å; P879-K883 WeakPolarHBondContact O-CB 3.42Å; P879-K883 PolarHBondContact O-N 3.2Å; K883-F885 VanDerWaalsContact C-N 3.33Å; K883-F885 PolarHBondContact O-N 3.06Å; K883-E886 PolarHBondContact O-N 3.26Å; K883-E887 VanDerWaalsContact CE-CD 3.45Å; K883-E887 WeakPolarHBondContact CE-OE1 3.32Å; K883-E887 HydrophobicContact CG-CG 4.35Å; K883-E887 WeakPolarHBondContact CG-OE1 3.37Å; K883-E887 IonicContact NZ-OE1 3.37Å; K883-E887 VanDerWaalsContact O-CB 3.31Å; K883-E887 WeakPolarHBondContact O-CB 3.33Å; K883-E887 VanDerWaalsContact O-CG 3.28Å; K883-E887 WeakPolarHBondContact O-CG 3.4Å; K883-E887 PolarHBondContact O-N 3.3Å |
| 884 | Y | 90.3 | Very high | 81.7 | Confident | 49.5 Ų | 49.5 | 71.3 Ų | 71.3 | 19% | 0.194 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -61.2 | -41.8 | 178.6 | -169.8 | -81.7 | 0 | 0 | 0 | 112.1 | L838 F842 I866 I869 A880 Y881 I882 E887 N888 | L838-Y884 HydrophobicContact CB-CD2 4.43Å; L838-Y884 HydrophobicContact CD1-CD2 4.31Å; L838-Y884 HydrophobicContact CD1-CG 4.2Å; F842-Y884 WeakPolarHBondContact CB-OH 3.28Å; F842-Y884 HydrophobicContact CD1-CE1 4.49Å; F842-Y884 WeakPolarHBondContact CD1-OH 3.29Å; F842-Y884 HydrophobicContact CD2-CD1 4.39Å; F842-Y884 AromaticContact CD2-CE1 3.45Å; F842-Y884 HydrophobicContact CD2-CE1 3.45Å; F842-Y884 VanDerWaalsContact CD2-CE1 3.45Å; F842-Y884 HydrophobicContact CD2-CE2 4.11Å; F842-Y884 AromaticContact CD2-CZ 3.28Å; F842-Y884 WeakPolarHBondContact CD2-OH 3.33Å; F842-Y884 HydrophobicContact CE1-CE1 4.26Å; F842-Y884 AromaticContact CE2-CD1 3.84Å; F842-Y884 HydrophobicContact CE2-CD1 3.84Å; F842-Y884 AromaticContact CE2-CE1 3.11Å; F842-Y884 HydrophobicContact CE2-CE1 3.11Å; F842-Y884 HydrophobicContact CE2-CE2 4.42Å; F842-Y884 AromaticContact CE2-CZ 3.52Å; F842-Y884 VanDerWaalsContact CE2-CZ 3.44Å; F842-Y884 HydrophobicContact CG-CE1 4.14Å; F842-Y884 AromaticContact CG-CZ 3.77Å; F842-Y884 WeakPolarHBondContact CG-OH 3.33Å; F842-Y884 HydrophobicContact CZ-CD1 4.41Å; F842-Y884 AromaticContact CZ-CE1 3.58Å; F842-Y884 HydrophobicContact CZ-CE1 3.58Å; I866-Y884 HydrophobicContact CG1-CE1 4.35Å; I869-Y884 HydrophobicContact CG2-CD1 4.37Å; A880-Y884 VanDerWaalsContact O-CB 3.22Å; A880-Y884 WeakPolarHBondContact O-CB 3.41Å; A880-Y884 PolarHBondContact O-N 2.98Å; Y881-Y884 PolarHBondContact O-N 3.26Å; I882-Y884 VanDerWaalsContact C-N 3.34Å; I882-Y884 PolarHBondContact O-N 3.18Å; Y884-E887 PolarHBondContact O-N 3.04Å; Y884-N888 HydrophobicContact CD1-CB 4.49Å; Y884-N888 HydrophobicContact CE1-CB 4.12Å; Y884-N888 WeakPolarHBondContact CE1-ND2 3.42Å; Y884-N888 WeakPolarHBondContact CE2-ND2 3.26Å; Y884-N888 VanDerWaalsContact CZ-ND2 3.31Å; Y884-N888 VanDerWaalsContact O-CB 3.32Å; Y884-N888 WeakPolarHBondContact O-CB 3.33Å; Y884-N888 PolarHBondContact O-N 3.09Å; Y884-N888 VanDerWaalsContact O-N 3.12Å; Y884-N888 PolarHBondContact O-ND2 3.14Å |
| 885 | F | 91 | Very high | 79.3 | Confident | 21.25 Ų | 21.25 | 73.2 Ų | 73.2 | 9% | 0.093 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -63.2 | -50.3 | 175.6 | 171.1 | -104 | 0 | 0 | 0 | 111.9 | I866 G870 Y874 Y881 I882 K883 E887 N888 R889 I911 | I866-F885 HydrophobicContact CG2-CD2 3.69Å; I866-F885 HydrophobicContact CG2-CE2 4.23Å; I866-F885 VanDerWaalsContact O-CD2 3.26Å; I866-F885 WeakPolarHBondContact O-CD2 3.29Å; G870-F885 VanDerWaalsContact CA-CB 3.46Å; G870-F885 VanDerWaalsContact CA-CD2 3.44Å; G870-F885 VanDerWaalsContact CA-CG 3.44Å; Y874-F885 HydrophobicContact CD2-CD1 4.47Å; Y874-F885 HydrophobicContact CD2-CE1 4.47Å; Y874-F885 AromaticContact CE2-CD1 3.66Å; Y874-F885 HydrophobicContact CE2-CD1 3.66Å; Y874-F885 AromaticContact CE2-CE1 3.8Å; Y874-F885 HydrophobicContact CE2-CE1 3.8Å; Y881-F885 VanDerWaalsContact O-CB 3.31Å; Y881-F885 WeakPolarHBondContact O-CB 3.4Å; Y881-F885 PolarHBondContact O-N 3.3Å; I882-F885 WeakPolarHBondContact O-CB 3.26Å; I882-F885 PolarHBondContact O-N 3.12Å; I882-F885 VanDerWaalsContact O-N 3.14Å; K883-F885 VanDerWaalsContact C-N 3.33Å; K883-F885 PolarHBondContact O-N 3.06Å; F885-E887 VanDerWaalsContact C-N 3.3Å; F885-E887 PolarHBondContact O-N 3.13Å; F885-N888 PolarHBondContact O-N 3.24Å; F885-N888 VanDerWaalsContact O-N 3.17Å; F885-R889 HydrophobicContact CD2-CB 4.17Å; F885-R889 VanDerWaalsContact CE1-CD 3.42Å; F885-R889 HydrophobicContact CE2-CB 3.92Å; F885-R889 HydrophobicContact CE2-CG 4.13Å; F885-R889 HydrophobicContact CZ-CB 4.17Å; F885-R889 HydrophobicContact CZ-CG 4.31Å; F885-R889 VanDerWaalsContact O-CB 3.24Å; F885-R889 WeakPolarHBondContact O-CB 3.31Å; F885-R889 VanDerWaalsContact O-CG 3.31Å; F885-R889 WeakPolarHBondContact O-CG 3.26Å; F885-R889 PolarHBondContact O-N 3.07Å; F885-I911 HydrophobicContact CD2-CD1 4.28Å; F885-I911 HydrophobicContact CE1-CB 4.22Å; F885-I911 HydrophobicContact CE1-CD1 4.47Å; F885-I911 HydrophobicContact CE2-CD1 3.64Å; F885-I911 HydrophobicContact CE2-CG1 4.19Å; F885-I911 HydrophobicContact CZ-CB 3.81Å; F885-I911 HydrophobicContact CZ-CD1 4.04Å; F885-I911 HydrophobicContact CZ-CG1 3.9Å |
| 886 | E | 87.3 | Confident | 76.8 | Confident | 98.25 Ų | 98.25 | 74.8 Ų | 74.8 | 46% | 0.459 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -59.5 | -40.6 | 179.9 | -72.2 | 174.1 | 172.4 | 0 | 0 | 111.9 | Y874 I882 K883 N888 | Y874-E886 VanDerWaalsContact OH-CG 3.29Å; Y874-E886 WeakPolarHBondContact OH-CG 3.32Å; Y874-E886 PolarHBondContact OH-OE1 3Å; I882-E886 HydrophobicContact CG2-CG 4.32Å; I882-E886 WeakPolarHBondContact CG2-OE1 3.38Å; I882-E886 WeakPolarHBondContact O-CB 3.31Å; I882-E886 WeakPolarHBondContact O-CG 3.21Å; I882-E886 PolarHBondContact O-N 3.06Å; K883-E886 PolarHBondContact O-N 3.26Å; E886-N888 PolarHBondContact O-N 2.91Å |
| 887 | E | 86.3 | Confident | 74.3 | Confident | 93 Ų | 93 | 80.1 Ų | 80.1 | 44% | 0.435 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -71.3 | -25.9 | 178.2 | -75 | -179.7 | 172.1 | 0 | 0 | 114 | K883 Y884 F885 K891 | K883-E887 VanDerWaalsContact CE-CD 3.45Å; K883-E887 WeakPolarHBondContact CE-OE1 3.32Å; K883-E887 HydrophobicContact CG-CG 4.35Å; K883-E887 WeakPolarHBondContact CG-OE1 3.37Å; K883-E887 IonicContact NZ-OE1 3.37Å; K883-E887 VanDerWaalsContact O-CB 3.31Å; K883-E887 WeakPolarHBondContact O-CB 3.33Å; K883-E887 VanDerWaalsContact O-CG 3.28Å; K883-E887 WeakPolarHBondContact O-CG 3.4Å; K883-E887 PolarHBondContact O-N 3.3Å; Y884-E887 PolarHBondContact O-N 3.04Å; F885-E887 VanDerWaalsContact C-N 3.3Å; F885-E887 PolarHBondContact O-N 3.13Å; E887-K891 WeakPolarHBondContact O-CD 3.32Å; E887-K891 WeakPolarHBondContact O-CE 3.38Å; E887-K891 VanDerWaalsContact O-CG 3.25Å; E887-K891 WeakPolarHBondContact O-CG 3.35Å; E887-K891 PolarHBondContact O-NZ 3.16Å; E887-K891 VanDerWaalsContact O-NZ 3.15Å |
| 888 | N | 83 | Confident | 71.7 | Confident | 25.75 Ų | 25.75 | 82.4 Ų | 82.4 | 14% | 0.138 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -117.7 | -15.5 | -169.7 | -63.4 | -70.4 | 0 | 0 | 0 | 115 | I866 Y884 F885 E886 F890 K891 | I866-N888 HydrophobicContact CD1-CB 4.05Å; Y884-N888 HydrophobicContact CD1-CB 4.49Å; Y884-N888 HydrophobicContact CE1-CB 4.12Å; Y884-N888 WeakPolarHBondContact CE1-ND2 3.42Å; Y884-N888 WeakPolarHBondContact CE2-ND2 3.26Å; Y884-N888 VanDerWaalsContact CZ-ND2 3.31Å; Y884-N888 VanDerWaalsContact O-CB 3.32Å; Y884-N888 WeakPolarHBondContact O-CB 3.33Å; Y884-N888 PolarHBondContact O-N 3.09Å; Y884-N888 VanDerWaalsContact O-N 3.12Å; Y884-N888 PolarHBondContact O-ND2 3.14Å; F885-N888 PolarHBondContact O-N 3.24Å; F885-N888 VanDerWaalsContact O-N 3.17Å; E886-N888 PolarHBondContact O-N 2.91Å; N888-F890 VanDerWaalsContact C-N 3.26Å; N888-F890 PolarHBondContact O-N 3.11Å; N888-F890 VanDerWaalsContact O-N 3.09Å; N888-K891 PolarHBondContact O-N 3.19Å; N888-K891 WeakPolarHBondContact OD1-CD 3.19Å; N888-K891 PolarHBondContact OD1-NZ 2.98Å |
| 889 | R | 77.7 | Confident | 68.8 | Low | 106 Ų | 106 | 86.4 Ų | 86.4 | 40% | 0.4 | 43% | 0.428 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -25.7 | -178.5 | 86.9 | -171.7 | -177.5 | 106.7 | -4.5 | 114.6 | I866 F885 I893 | I866-R889 HydrophobicContact CG2-CB 4.3Å; F885-R889 HydrophobicContact CD2-CB 4.17Å; F885-R889 VanDerWaalsContact CE1-CD 3.42Å; F885-R889 HydrophobicContact CE2-CB 3.92Å; F885-R889 HydrophobicContact CE2-CG 4.13Å; F885-R889 HydrophobicContact CZ-CB 4.17Å; F885-R889 HydrophobicContact CZ-CG 4.31Å; F885-R889 VanDerWaalsContact O-CB 3.24Å; F885-R889 WeakPolarHBondContact O-CB 3.31Å; F885-R889 VanDerWaalsContact O-CG 3.31Å; F885-R889 WeakPolarHBondContact O-CG 3.26Å; F885-R889 PolarHBondContact O-N 3.07Å; R889-I893 WeakPolarHBondContact O-CD1 3.37Å |
| 890 | F | 73.1 | Confident | 66.1 | Low | 115.25 Ų | 115.25 | 90.5 Ų | 90.5 | 51% | 0.505 | 45% | 0.446 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.6 | -24.4 | 178.8 | -60.2 | -62 | 0 | 0 | 0 | 114 | N888 L892 I893 D894 | N888-F890 VanDerWaalsContact C-N 3.26Å; N888-F890 PolarHBondContact O-N 3.11Å; N888-F890 VanDerWaalsContact O-N 3.09Å; F890-L892 PolarHBondContact O-N 3.03Å; F890-L892 VanDerWaalsContact O-N 3.09Å; F890-I893 HydrophobicContact CD1-CD1 4.26Å; F890-I893 WeakPolarHBondContact O-CB 3.39Å; F890-I893 PolarHBondContact O-N 3.03Å; F890-I893 VanDerWaalsContact O-N 3.14Å; F890-D894 PolarHBondContact O-N 2.94Å |
| 891 | K | 67.4 | Low | 63.3 | Low | 121.25 Ų | 121.25 | 96.2 Ų | 96.2 | 53% | 0.527 | 47% | 0.474 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | -19.9 | -176.2 | -70.7 | -178.5 | -176.7 | 147.1 | 0 | 114.4 | E887 N888 I893 | E887-K891 WeakPolarHBondContact O-CD 3.32Å; E887-K891 WeakPolarHBondContact O-CE 3.38Å; E887-K891 VanDerWaalsContact O-CG 3.25Å; E887-K891 WeakPolarHBondContact O-CG 3.35Å; E887-K891 PolarHBondContact O-NZ 3.16Å; E887-K891 VanDerWaalsContact O-NZ 3.15Å; N888-K891 PolarHBondContact O-N 3.19Å; N888-K891 WeakPolarHBondContact OD1-CD 3.19Å; N888-K891 PolarHBondContact OD1-NZ 2.98Å; K891-I893 VanDerWaalsContact C-N 3.33Å |
| 892 | L | 56.9 | Low | 60.2 | Low | 47 Ų | 47 | 100.2 Ų | 100.2 | 25% | 0.246 | 49% | 0.494 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.4 | -4.5 | 178.4 | -71.9 | 168.9 | 0 | 0 | 0 | 113.7 | Q859 R862 I863 I866 F890 | Q859-L892 HydrophobicContact CG-CD2 3.91Å; R862-L892 HydrophobicContact CB-CD1 3.81Å; R862-L892 HydrophobicContact CG-CD1 4.36Å; I863-L892 HydrophobicContact CD1-CB 4.46Å; I863-L892 HydrophobicContact CG1-CB 4.11Å; I863-L892 HydrophobicContact CG1-CD1 3.89Å; I866-L892 HydrophobicContact CD1-CD1 3.41Å; I866-L892 HydrophobicContact CD1-CG 4.41Å; F890-L892 PolarHBondContact O-N 3.03Å; F890-L892 VanDerWaalsContact O-N 3.09Å |
| 893 | I | 52 | Low | 57.2 | Low | 107 Ų | 107 | 104.3 Ų | 104.3 | 55% | 0.549 | 52% | 0.517 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.1 | -23.7 | -179 | -57.7 | 174.2 | 0 | 0 | 0 | 111 | R889 F890 K891 I895 L908 | R889-I893 WeakPolarHBondContact O-CD1 3.37Å; F890-I893 HydrophobicContact CD1-CD1 4.26Å; F890-I893 WeakPolarHBondContact O-CB 3.39Å; F890-I893 PolarHBondContact O-N 3.03Å; F890-I893 VanDerWaalsContact O-N 3.14Å; K891-I893 VanDerWaalsContact C-N 3.33Å; I893-I895 PolarHBondContact O-N 3.39Å; I893-L908 HydrophobicContact CD1-CD2 3.83Å; I893-L908 HydrophobicContact CG1-CD2 4.2Å |
| 894 | D | 42.8 | Very low | 54.3 | Low | 126.75 Ų | 126.75 | 103.5 Ų | 103.5 | 68% | 0.678 | 52% | 0.517 | S | S | * | . | S | Bend | trans | -96.9 | 29.6 | -171.3 | -66.6 | -35.2 | 0 | 0 | 0 | 115.3 | F890 P896 | F890-D894 PolarHBondContact O-N 2.94Å; D894-P896 VanDerWaalsContact O-CD 3.27Å; D894-P896 WeakPolarHBondContact O-CD 3.32Å |
| 895 | I | 39.5 | Very low | 51.3 | Low | 115.75 Ų | 115.75 | 107.1 Ų | 107.1 | 59% | 0.594 | 54% | 0.544 | S | S | * | . | trans | -112.5 | 96.1 | 172.2 | -54.2 | 178 | 0 | 0 | 0 | 110.1 | I893 D897 | I893-I895 PolarHBondContact O-N 3.39Å; I895-D897 PolarHBondContact O-N 3.29Å | ||
| 896 | P | 35.8 | Very low | 48.1 | Very low | 101.25 Ų | 101.25 | 110.1 Ų | 110.1 | 66% | 0.657 | 57% | 0.567 | S | S | * | * | trans | -77.5 | 148.3 | 169.3 | 23.4 | -19.9 | 0 | 0 | 0 | 111.4 | D894 Q898 | D894-P896 VanDerWaalsContact O-CD 3.27Å; D894-P896 WeakPolarHBondContact O-CD 3.32Å; P896-Q898 PolarHBondContact O-N 2.85Å | ||
| 897 | D | 37.7 | Very low | 45.3 | Very low | 149 Ų | 149 | 112.7 Ų | 112.7 | 80% | 0.797 | 58% | 0.579 | S | S | * | * | S | Bend | trans | 105.8 | 24.3 | 155.6 | -64.4 | -18.8 | 0 | 0 | 0 | 118.8 | I895 | I895-D897 PolarHBondContact O-N 3.29Š|
| 898 | Q | 36.3 | Very low | 42.4 | Very low | 188.25 Ų | 188.25 | 113.1 Ų | 113.1 | 88% | 0.88 | 58% | 0.584 | S | S | * | * | S | Bend | trans | -144.7 | 12.5 | 166.3 | -78.4 | -170.1 | 2.5 | 0 | 0 | 117 | P896 | P896-Q898 PolarHBondContact O-N 2.85Š|
| 899 | M | 32.2 | Very low | 39.7 | Very low | 99.75 Ų | 99.75 | 115.6 Ų | 115.6 | 49% | 0.491 | 60% | 0.601 | S | S | . | * | trans | -107.3 | 38.8 | -178.7 | -106.7 | -177 | 173.2 | 0 | 0 | 114.5 | Q859 N901 I902 I904 | Q859-M899 HydrophobicContact CB-CE 3.82Å; Q859-M899 VanDerWaalsContact OE1-CE 3.26Å; M899-N901 VanDerWaalsContact C-N 3.27Å; M899-N901 PolarHBondContact O-N 3.39Å; M899-N901 VanDerWaalsContact O-N 3.08Å; M899-I902 HydrophobicContact CE-CD1 4.22Å; M899-I902 HydrophobicContact CG-CD1 4.32Å; M899-I904 HydrophobicContact CE-CD1 4.24Å; M899-I904 HydrophobicContact SD-CD1 4.3Å | ||
| 900 | N | 32.3 | Very low | 37.3 | Very low | 154.5 Ų | 154.5 | 116.2 Ų | 116.2 | 83% | 0.826 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.3 | 26.8 | 178.7 | -80.3 | -6.8 | 0 | 0 | 0 | 113.6 | ||
| 901 | N | 31.5 | Very low | 35.1 | Very low | 146.25 Ų | 146.25 | 115 Ų | 115 | 78% | 0.782 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -155.8 | 35 | 179.2 | -78.3 | -19.4 | 0 | 0 | 0 | 115 | K556 M899 | K556-N901 PolarHBondContact NZ-OD1 2.85Å; M899-N901 VanDerWaalsContact C-N 3.27Å; M899-N901 PolarHBondContact O-N 3.39Å; M899-N901 VanDerWaalsContact O-N 3.08Å |
| 902 | I | 30.6 | Very low | 33.1 | Very low | 87 Ų | 87 | 114.7 Ų | 114.7 | 45% | 0.446 | 62% | 0.623 | S | S | . | * | trans | -124 | 120.1 | 167.2 | -56.7 | 178.3 | 0 | 0 | 0 | 109 | N856 M899 I904 | N856-I902 WeakPolarHBondContact O-CG2 3.46Å; M899-I902 HydrophobicContact CE-CD1 4.22Å; M899-I902 HydrophobicContact CG-CD1 4.32Å; I902-I904 VanDerWaalsContact C-N 3.28Å; I902-I904 HydrophobicContact CB-CD1 4.32Å; I902-I904 HydrophobicContact CB-CG1 4Å; I902-I904 HydrophobicContact CG2-CD1 4.23Å; I902-I904 HydrophobicContact CG2-CG1 3.61Å; I902-I904 PolarHBondContact O-N 3.24Å; I902-I904 VanDerWaalsContact O-N 3.13Å | ||
| 903 | D | 28.1 | Very low | 31.6 | Very low | 117.75 Ų | 117.75 | 117.7 Ų | 117.7 | 63% | 0.63 | 64% | 0.638 | S | S | * | * | trans | -65.8 | 94.8 | 178.3 | -99.3 | -38.7 | 0 | 0 | 0 | 111.5 | L453 T905 | L453-D903 HydrophobicContact CD1-CB 4.26Å; D903-T905 VanDerWaalsContact C-N 3.27Å; D903-T905 PolarHBondContact O-N 3.14Å; D903-T905 VanDerWaalsContact O-N 3.1Å | ||
| 904 | I | 28.4 | Very low | 30.3 | Very low | 103.5 Ų | 103.5 | 119.5 Ų | 119.5 | 53% | 0.531 | 65% | 0.648 | S | S | . | * | trans | -79.6 | 85.1 | -179.1 | -57.5 | 172.6 | 0 | 0 | 0 | 109.7 | L860 M899 I902 C906 | L860-I904 HydrophobicContact CD1-CG2 4.35Å; L860-I904 HydrophobicContact CD2-CG2 4.2Å; M899-I904 HydrophobicContact CE-CD1 4.24Å; M899-I904 HydrophobicContact SD-CD1 4.3Å; I902-I904 VanDerWaalsContact C-N 3.28Å; I902-I904 HydrophobicContact CB-CD1 4.32Å; I902-I904 HydrophobicContact CB-CG1 4Å; I902-I904 HydrophobicContact CG2-CD1 4.23Å; I902-I904 HydrophobicContact CG2-CG1 3.61Å; I902-I904 PolarHBondContact O-N 3.24Å; I902-I904 VanDerWaalsContact O-N 3.13Å; I904-C906 HydrophobicContact CG2-CB 3.99Å; I904-C906 PolarHBondContact O-N 3.02Å | ||
| 905 | T | 26.4 | Very low | 29.5 | Very low | 124.75 Ų | 124.75 | 118.1 Ų | 118.1 | 77% | 0.765 | 65% | 0.646 | S | S | * | * | trans | -95.2 | 35.7 | 161.1 | 50.6 | 0 | 0 | 0 | 0 | 111.9 | D903 Q907 | D903-T905 VanDerWaalsContact C-N 3.27Å; D903-T905 PolarHBondContact O-N 3.14Å; D903-T905 VanDerWaalsContact O-N 3.1Å; T905-Q907 PolarHBondContact O-N 2.97Å | ||
| 906 | C | 25.7 | Very low | 28.9 | Very low | 83.75 Ų | 83.75 | 116.8 Ų | 116.8 | 57% | 0.566 | 65% | 0.647 | S | S | * | * | trans | -127.6 | 91.3 | 171.5 | -73.8 | 0 | 0 | 0 | 0 | 111.6 | L860 I904 L908 | L860-C906 HydrophobicContact CD1-CB 3.94Å; I904-C906 HydrophobicContact CG2-CB 3.99Å; I904-C906 PolarHBondContact O-N 3.02Å; C906-L908 PolarHBondContact O-N 3.43Å | ||
| 907 | Q | 27.1 | Very low | 28.3 | Very low | 153 Ų | 153 | 116.9 Ų | 116.9 | 72% | 0.715 | 65% | 0.65 | S | S | * | * | trans | -49.1 | 120.2 | 160.3 | -66.8 | -179.1 | -12.9 | 0 | 0 | 112.6 | T905 P909 S1465 | T905-Q907 PolarHBondContact O-N 2.97Å; Q907-P909 WeakPolarHBondContact O-CD 3.44Å; Q907-S1465 VanDerWaalsContact OE1-CB 3.26Å | ||
| 908 | L | 26.1 | Very low | 27.7 | Very low | 102 Ų | 102 | 118.7 Ų | 118.7 | 53% | 0.534 | 65% | 0.651 | S | S | . | * | trans | -84.4 | 130.5 | 160.9 | -99.5 | 78.8 | 0 | 0 | 0 | 110.3 | I863 I893 C906 T910 | I863-L908 HydrophobicContact CG2-CD1 4.1Å; I863-L908 HydrophobicContact CG2-CD2 3.95Å; I863-L908 HydrophobicContact CG2-CG 3.86Å; I893-L908 HydrophobicContact CD1-CD2 3.83Å; I893-L908 HydrophobicContact CG1-CD2 4.2Å; C906-L908 PolarHBondContact O-N 3.43Å; L908-T910 PolarHBondContact O-N 3.35Å; L908-T910 VanDerWaalsContact O-N 3.13Å | ||
| 909 | P | 26.7 | Very low | 27.2 | Very low | 78.25 Ų | 78.25 | 114.8 Ų | 114.8 | 51% | 0.508 | 65% | 0.645 | S | S | . | * | trans | -76.5 | 110.2 | 176.8 | 29 | -29.8 | 0 | 0 | 0 | 110.2 | Y790 Q907 I911 | Y790-P909 HydrophobicContact CD2-CG 3.95Å; Y790-P909 HydrophobicContact CE2-CG 3.65Å; Q907-P909 WeakPolarHBondContact O-CD 3.44Å; P909-I911 PolarHBondContact O-N 3.11Å; P909-I911 VanDerWaalsContact O-N 3.08Å | ||
| 910 | T | 26.1 | Very low | 26.8 | Very low | 118.5 Ų | 118.5 | 118.5 Ų | 118.5 | 73% | 0.727 | 66% | 0.661 | S | S | * | * | trans | -80.1 | 108 | 173.4 | -56.1 | 0 | 0 | 0 | 0 | 109.4 | L908 T912 | L908-T910 PolarHBondContact O-N 3.35Å; L908-T910 VanDerWaalsContact O-N 3.13Å; T910-T912 PolarHBondContact O-N 3.2Å; T910-T912 VanDerWaalsContact O-N 3.12Å; T910-T912 PolarHBondContact O-OG1 2.73Å | ||
| 911 | I | 27.1 | Very low | 26.5 | Very low | 90.25 Ų | 90.25 | 117.2 Ų | 117.2 | 46% | 0.463 | 66% | 0.659 | S | S | . | * | trans | -72.5 | 110.4 | 178.7 | -57.9 | 176.5 | 0 | 0 | 0 | 108.8 | S867 Y874 F885 P909 I913 | S867-I911 WeakPolarHBondContact O-CD1 3.37Å; Y874-I911 HydrophobicContact CD2-CG2 4.28Å; Y874-I911 HydrophobicContact CE2-CG2 4.46Å; F885-I911 HydrophobicContact CD2-CD1 4.28Å; F885-I911 HydrophobicContact CE1-CB 4.22Å; F885-I911 HydrophobicContact CE1-CD1 4.47Å; F885-I911 HydrophobicContact CE2-CD1 3.64Å; F885-I911 HydrophobicContact CE2-CG1 4.19Å; F885-I911 HydrophobicContact CZ-CB 3.81Å; F885-I911 HydrophobicContact CZ-CD1 4.04Å; F885-I911 HydrophobicContact CZ-CG1 3.9Å; P909-I911 PolarHBondContact O-N 3.11Å; P909-I911 VanDerWaalsContact O-N 3.08Å; I911-I913 HydrophobicContact CG2-CD1 4.22Å; I911-I913 HydrophobicContact CG2-CG1 4.05Å; I911-I913 VanDerWaalsContact O-CD1 3.28Å; I911-I913 WeakPolarHBondContact O-CD1 3.45Å | ||
| 912 | T | 25.5 | Very low | 26.1 | Very low | 115 Ų | 115 | 118 Ų | 118 | 71% | 0.706 | 66% | 0.658 | S | S | * | * | trans | -98.6 | 116.7 | 172.3 | -50.9 | 0 | 0 | 0 | 0 | 108.6 | T910 | T910-T912 PolarHBondContact O-N 3.2Å; T910-T912 VanDerWaalsContact O-N 3.12Å; T910-T912 PolarHBondContact O-OG1 2.73Å | ||
| 913 | I | 25.9 | Very low | 25.8 | Very low | 109.25 Ų | 109.25 | 122.9 Ų | 122.9 | 56% | 0.56 | 68% | 0.676 | S | S | * | * | trans | -97 | 114 | -177.6 | -55.8 | 134.9 | 0 | 0 | 0 | 109.2 | Y874 I911 I1212 | Y874-I913 HydrophobicContact CD1-CB 4.34Å; Y874-I913 HydrophobicContact CD1-CD1 4.3Å; Y874-I913 HydrophobicContact CD1-CG1 3.85Å; Y874-I913 HydrophobicContact CD1-CG2 3.75Å; Y874-I913 HydrophobicContact CD2-CD1 3.84Å; Y874-I913 HydrophobicContact CD2-CG1 3.7Å; Y874-I913 VanDerWaalsContact CD2-CG1 3.48Å; Y874-I913 HydrophobicContact CE1-CD1 4.05Å; Y874-I913 HydrophobicContact CE1-CG1 4.08Å; Y874-I913 HydrophobicContact CE1-CG2 4.36Å; Y874-I913 HydrophobicContact CE2-CD1 3.56Å; Y874-I913 HydrophobicContact CE2-CG1 3.93Å; Y874-I913 HydrophobicContact CG-CB 4.42Å; Y874-I913 HydrophobicContact CG-CD1 4.2Å; Y874-I913 HydrophobicContact CG-CG1 3.65Å; Y874-I913 HydrophobicContact CG-CG2 3.94Å; I911-I913 HydrophobicContact CG2-CD1 4.22Å; I911-I913 HydrophobicContact CG2-CG1 4.05Å; I911-I913 VanDerWaalsContact O-CD1 3.28Å; I911-I913 WeakPolarHBondContact O-CD1 3.45Å; I913-I1212 HydrophobicContact CG2-CD1 4.45Å | ||
| 914 | L | 24.9 | Very low | 25.6 | Very low | 144.75 Ų | 144.75 | 123.3 Ų | 123.3 | 76% | 0.758 | 68% | 0.683 | S | S | * | * | trans | -102.7 | 140.2 | 166 | -103.9 | 126.4 | 0 | 0 | 0 | 109.4 | S916 | L914-S916 PolarHBondContact O-N 2.93Š| ||
| 915 | P | 26.2 | Very low | 25.4 | Very low | 96.75 Ų | 96.75 | 124.2 Ų | 124.2 | 63% | 0.628 | 69% | 0.694 | S | S | * | * | trans | -77.1 | 116.3 | -173.8 | -0.9 | 13.1 | 0 | 0 | 0 | 111.7 | S917 N1207 T1210 | P915-S917 PolarHBondContact O-N 3.24Å; P915-S917 VanDerWaalsContact O-N 3.15Å; P915-N1207 HydrophobicContact CB-CB 3.89Å; P915-N1207 WeakPolarHBondContact CB-O 3.37Å; P915-N1207 WeakPolarHBondContact CB-OD1 3.14Å; P915-N1207 HydrophobicContact CG-CB 3.91Å; P915-N1207 VanDerWaalsContact CG-CG 3.47Å; P915-N1207 WeakPolarHBondContact CG-ND2 3.18Å; P915-T1210 HydrophobicContact CB-CG2 3.73Å; P915-T1210 VanDerWaalsContact CB-OG1 3.29Å; P915-T1210 WeakPolarHBondContact CB-OG1 3.5Å; P915-T1210 HydrophobicContact CG-CG2 3.99Å; P915-T1210 WeakPolarHBondContact CG-OG1 3.44Å | ||
| 916 | S | 26.1 | Very low | 25.4 | Very low | 88.25 Ų | 88.25 | 126.9 Ų | 126.9 | 62% | 0.617 | 70% | 0.698 | S | S | * | * | trans | -79.3 | 100.7 | 175.7 | 57.6 | 0 | 0 | 0 | 0 | 111.6 | F692 L914 F918 S1209 | F692-S916 VanDerWaalsContact CE1-CB 3.47Å; L914-S916 PolarHBondContact O-N 2.93Å; S916-F918 VanDerWaalsContact C-N 3.35Å; S916-F918 PolarHBondContact O-N 3.13Å; S916-S1209 WeakPolarHBondContact O-CB 3.49Å; S916-S1209 PolarHBondContact O-OG 3.27Å | ||
| 917 | S | 23.4 | Very low | 25.4 | Very low | 103.5 Ų | 103.5 | 130.3 Ų | 130.3 | 72% | 0.724 | 71% | 0.71 | S | S | * | * | trans | -71.1 | 94.9 | 174.5 | 53.7 | 0 | 0 | 0 | 0 | 111.8 | P915 S919 | P915-S917 PolarHBondContact O-N 3.24Å; P915-S917 VanDerWaalsContact O-N 3.15Å; S917-S919 PolarHBondContact O-N 3.37Å | ||
| 918 | F | 25.6 | Very low | 25.4 | Very low | 188 Ų | 188 | 128.8 Ų | 128.8 | 83% | 0.825 | 71% | 0.711 | S | S | * | * | trans | -90.7 | 125.4 | 167 | -89.8 | -87.3 | 0 | 0 | 0 | 110.7 | S916 S1209 | S916-F918 VanDerWaalsContact C-N 3.35Å; S916-F918 PolarHBondContact O-N 3.13Å; F918-S1209 PolarHBondContact N-OG 3.4Å | ||
| 919 | S | 25.3 | Very low | 25.5 | Very low | 105 Ų | 105 | 130.6 Ų | 130.6 | 73% | 0.734 | 72% | 0.721 | S | S | * | * | trans | -78.8 | 122.5 | 177.5 | 12.5 | 0 | 0 | 0 | 0 | 110.9 | S917 T921 | S917-S919 PolarHBondContact O-N 3.37Å; S919-T921 PolarHBondContact O-N 3Å | ||
| 920 | E | 24.5 | Very low | 25.5 | Very low | 179.25 Ų | 179.25 | 133.4 Ų | 133.4 | 84% | 0.838 | 73% | 0.732 | S | S | * | * | trans | -68.6 | 112.3 | 170.2 | -67.8 | -179.9 | 143.6 | 0 | 0 | 110.3 | Q922 | E920-Q922 PolarHBondContact O-N 2.97Š| ||
| 921 | T | 24.2 | Very low | 25.6 | Very low | 126.5 Ų | 126.5 | 135.1 Ų | 135.1 | 78% | 0.776 | 73% | 0.731 | S | S | * | * | trans | -91.1 | 102.2 | 164.7 | 11.5 | 0 | 0 | 0 | 0 | 108.3 | S919 F923 | S919-T921 PolarHBondContact O-N 3Å; T921-F923 PolarHBondContact O-N 2.98Å | ||
| 922 | Q | 24.4 | Very low | 25.6 | Very low | 162.75 Ų | 162.75 | 136.5 Ų | 136.5 | 76% | 0.761 | 74% | 0.74 | S | S | * | * | trans | -74.3 | 120.1 | 173.4 | -69 | -180 | -11.8 | 0 | 0 | 109.7 | E920 T924 | E920-Q922 PolarHBondContact O-N 2.97Å; Q922-T924 HydrophobicContact CB-CG2 4.45Å; Q922-T924 PolarHBondContact O-N 3.12Å; Q922-T924 VanDerWaalsContact O-N 3.1Å | ||
| 923 | F | 23.6 | Very low | 25.8 | Very low | 189.75 Ų | 189.75 | 138.3 Ų | 138.3 | 83% | 0.832 | 74% | 0.74 | S | S | * | * | trans | -87 | 106.1 | 163.8 | -89.4 | -92.7 | 0 | 0 | 0 | 108.4 | K744 T921 T925 | K744-F923 HydrophobicContact CD-CE1 4.41Å; K744-F923 HydrophobicContact CD-CE2 4.17Å; K744-F923 HydrophobicContact CD-CZ 3.73Å; T921-F923 PolarHBondContact O-N 2.98Å; F923-T925 PolarHBondContact O-N 3.05Å | ||
| 924 | T | 23.6 | Very low | 25.8 | Very low | 125.5 Ų | 125.5 | 139.1 Ų | 139.1 | 77% | 0.77 | 75% | 0.745 | S | S | * | * | trans | -81.3 | 127.2 | 167.7 | 44.9 | 0 | 0 | 0 | 0 | 109.8 | Q922 E926 | Q922-T924 HydrophobicContact CB-CG2 4.45Å; Q922-T924 PolarHBondContact O-N 3.12Å; Q922-T924 VanDerWaalsContact O-N 3.1Å; T924-E926 PolarHBondContact O-N 3.39Å | ||
| 925 | T | 25 | Very low | 25.9 | Very low | 124.25 Ų | 124.25 | 141 Ų | 141 | 76% | 0.762 | 75% | 0.75 | S | S | * | * | trans | -94 | 131 | 168.4 | 47.8 | 0 | 0 | 0 | 0 | 111.3 | F923 | F923-T925 PolarHBondContact O-N 3.05Š| ||
| 926 | E | 25.9 | Very low | 25.9 | Very low | 181 Ų | 181 | 141 Ų | 141 | 85% | 0.846 | 76% | 0.758 | S | S | * | * | trans | -7.4 | 128.4 | 161.7 | -66.1 | 177.3 | 162.9 | 0 | 0 | 114.5 | T924 V928 | T924-E926 PolarHBondContact O-N 3.39Å; E926-V928 PolarHBondContact O-N 3.08Å | ||
| 927 | D | 25.1 | Very low | 25.9 | Very low | 155.5 Ų | 155.5 | 142.3 Ų | 142.3 | 83% | 0.832 | 77% | 0.768 | S | S | * | * | trans | -86.1 | 146.7 | 164.1 | -65 | -62.9 | 0 | 0 | 0 | 112.7 | ||||
| 928 | V | 29.1 | Very low | 26 | Very low | 121.25 Ų | 121.25 | 142.4 Ų | 142.4 | 74% | 0.735 | 77% | 0.768 | S | S | * | * | trans | 139.9 | 109.4 | 146.1 | 177.3 | 0 | 0 | 0 | 0 | 113.9 | E926 | E926-V928 PolarHBondContact O-N 3.08Š| ||
| 929 | D | 26.9 | Very low | 26 | Very low | 140.25 Ų | 140.25 | 139.3 Ų | 139.3 | 75% | 0.75 | 77% | 0.768 | S | S | * | * | trans | 38.3 | 127.2 | 142.4 | -54.9 | -25.2 | 0 | 0 | 0 | 121.1 | ||||
| 930 | D | 26.4 | Very low | 25.9 | Very low | 135.75 Ų | 135.75 | 141.8 Ų | 141.8 | 73% | 0.726 | 77% | 0.773 | S | S | * | * | 74.8 | 138.8 | 112.8 | -95.2 | -22.3 | 0 | 0 | 0 | 118.3 | |||||
| 931 | H | 28.9 | Very low | 25.9 | Very low | 155 Ų | 155 | 142.3 Ų | 142.3 | 72% | 0.718 | 77% | 0.772 | S | S | * | * | trans | 90.8 | 114.2 | 141.1 | -85.4 | -68.6 | 0 | 0 | 0 | 119.4 | ||||
| 932 | D | 27.5 | Very low | 26 | Very low | 119.75 Ų | 119.75 | 144.2 Ų | 144.2 | 64% | 0.64 | 78% | 0.777 | S | S | * | * | 87.1 | 121.1 | 126.8 | -84.9 | -14.4 | 0 | 0 | 0 | 122.5 | |||||
| 933 | H | 29.4 | Very low | 26 | Very low | 152.25 Ų | 152.25 | 144.3 Ų | 144.3 | 71% | 0.705 | 78% | 0.782 | S | S | * | * | trans | 67.9 | 104.5 | 132.8 | -74 | -38.3 | 0 | 0 | 0 | 121.7 | ||||
| 934 | N | 27 | Very low | 26 | Very low | 126.25 Ų | 126.25 | 143.8 Ų | 143.8 | 68% | 0.675 | 78% | 0.782 | S | S | * | * | 80.7 | 119.4 | 120.5 | -76.4 | -26.6 | 0 | 0 | 0 | 121 | |||||
| 935 | Q | 26.1 | Very low | 26.1 | Very low | 184.25 Ų | 184.25 | 144.8 Ų | 144.8 | 86% | 0.861 | 78% | 0.783 | S | S | * | * | trans | 86.7 | 115.4 | 138.7 | -75.5 | 170.7 | 30.3 | 0 | 0 | 118.3 | ||||
| 936 | A | 26.6 | Very low | 26.2 | Very low | 96.5 Ų | 96.5 | 146.4 Ų | 146.4 | 80% | 0.798 | 79% | 0.786 | S | S | * | * | 172.7 | 126.5 | 110.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | S938 | A936-S938 PolarHBondContact O-N 2.95Š| |||
| 937 | S | 26.5 | Very low | 26.2 | Very low | 116.75 Ų | 116.75 | 146.2 Ų | 146.2 | 82% | 0.816 | 79% | 0.785 | S | S | * | * | 22.1 | 119.5 | 125.1 | -126 | 0 | 0 | 0 | 0 | 117.5 | |||||
| 938 | S | 25.5 | Very low | 26.2 | Very low | 104 Ų | 104 | 146.1 Ų | 146.1 | 73% | 0.727 | 79% | 0.785 | S | S | * | * | 127.1 | 113.3 | 91.4 | 125.7 | 0 | 0 | 0 | 0 | 113.7 | A936 | A936-S938 PolarHBondContact O-N 2.95Š| |||
| 939 | C | 24.1 | Very low | 26 | Very low | 123.5 Ų | 123.5 | 147.3 Ų | 147.3 | 83% | 0.834 | 79% | 0.786 | S | S | * | * | trans | -165.8 | 104.7 | 133 | -102.8 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 940 | L | 24.6 | Very low | 25.9 | Very low | 158.25 Ų | 158.25 | 145.6 Ų | 145.6 | 83% | 0.829 | 79% | 0.785 | S | S | * | * | trans | -144.2 | 99.8 | 167.1 | -102.3 | 172.1 | 0 | 0 | 0 | 112.1 | ||||
| 941 | K | 24.4 | Very low | 25.8 | Very low | 188.5 Ų | 188.5 | 144.6 Ų | 144.6 | 82% | 0.82 | 78% | 0.784 | S | S | * | * | trans | -27.5 | 95.4 | 145.7 | -77.7 | -169.2 | 176.4 | -172.5 | 0 | 113.6 | L943 | K941-L943 PolarHBondContact O-N 3.16Š| ||
| 942 | L | 25.2 | Very low | 25.5 | Very low | 168 Ų | 168 | 144.8 Ų | 144.8 | 88% | 0.88 | 79% | 0.79 | S | S | * | * | trans | -138.2 | 100.6 | 148.1 | -83.8 | -177.7 | 0 | 0 | 0 | 109.6 | ||||
| 943 | L | 25.4 | Very low | 25.5 | Very low | 164 Ų | 164 | 145.3 Ų | 145.3 | 86% | 0.859 | 80% | 0.797 | S | S | * | * | trans | 165.3 | 84.9 | 152.5 | -78.2 | 168.4 | 0 | 0 | 0 | 111 | K941 | K941-L943 PolarHBondContact O-N 3.16Š| ||
| 944 | E | 23.4 | Very low | 25.2 | Very low | 178.5 Ų | 178.5 | 143.2 Ų | 143.2 | 83% | 0.834 | 80% | 0.797 | S | S | * | * | trans | -123.7 | 118.7 | 159.9 | -69.9 | 177.5 | 147.2 | 0 | 0 | 109.1 | ||||
| 945 | N | 24.6 | Very low | 25.1 | Very low | 148.25 Ų | 148.25 | 144.6 Ų | 144.6 | 79% | 0.793 | 80% | 0.803 | S | S | * | * | trans | 156.9 | 114.4 | 154.6 | -80.4 | -13 | 0 | 0 | 0 | 110.9 | ||||
| 946 | N | 27.4 | Very low | 25 | Very low | 156.5 Ų | 156.5 | 144.1 Ų | 144.1 | 84% | 0.837 | 80% | 0.801 | S | S | * | * | trans | -177.8 | 108.3 | 145.7 | -81.8 | -16.3 | 0 | 0 | 0 | 109.1 | ||||
| 947 | E | 26.1 | Very low | 24.9 | Very low | 177 Ų | 177 | 144.4 Ų | 144.4 | 83% | 0.827 | 80% | 0.797 | S | S | * | * | trans | -13 | 137.8 | 148.1 | -67.6 | -178.3 | 153.9 | 0 | 0 | 115.4 | I949 | E947-I949 PolarHBondContact O-N 3.28Š| ||
| 948 | D | 24.1 | Very low | 24.8 | Very low | 153 Ų | 153 | 146.1 Ų | 146.1 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | trans | 12.1 | 111.8 | 149.3 | -61.8 | -26 | 0 | 0 | 0 | 118.1 | ||||
| 949 | I | 26.6 | Very low | 24.8 | Very low | 146.5 Ų | 146.5 | 148.2 Ų | 148.2 | 75% | 0.751 | 80% | 0.8 | S | S | * | * | trans | -144.9 | 96 | 135.3 | -76.3 | 169.7 | 0 | 0 | 0 | 109.8 | E947 T951 | E947-I949 PolarHBondContact O-N 3.28Å; I949-T951 HydrophobicContact CG1-CG2 4.4Å; I949-T951 HydrophobicContact CG2-CG2 4.22Å; I949-T951 WeakPolarHBondContact CG2-OG1 3.41Å; I949-T951 PolarHBondContact O-N 3.15Å | ||
| 950 | S | 23.7 | Very low | 25 | Very low | 105.75 Ų | 105.75 | 148.2 Ų | 148.2 | 74% | 0.74 | 80% | 0.796 | S | S | * | * | trans | -28.5 | 120.8 | 149 | 65.2 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 951 | T | 24.9 | Very low | 25 | Very low | 114.75 Ų | 114.75 | 147.1 Ų | 147.1 | 70% | 0.704 | 79% | 0.791 | S | S | * | * | trans | -165.2 | 110.9 | 143.4 | 46.7 | 0 | 0 | 0 | 0 | 113.9 | I949 V953 | I949-T951 HydrophobicContact CG1-CG2 4.4Å; I949-T951 HydrophobicContact CG2-CG2 4.22Å; I949-T951 WeakPolarHBondContact CG2-OG1 3.41Å; I949-T951 PolarHBondContact O-N 3.15Å; T951-V953 PolarHBondContact O-N 3.47Å | ||
| 952 | N | 23.3 | Very low | 25.1 | Very low | 158.25 Ų | 158.25 | 143.2 Ų | 143.2 | 85% | 0.846 | 78% | 0.783 | S | S | * | * | trans | -41 | 123.5 | 151.3 | -63.4 | -33.7 | 0 | 0 | 0 | 112.9 | ||||
| 953 | V | 25.6 | Very low | 25.1 | Very low | 129.5 Ų | 129.5 | 141.4 Ų | 141.4 | 79% | 0.785 | 78% | 0.775 | S | S | * | * | trans | -144.7 | 123.9 | 136.1 | 175.3 | 0 | 0 | 0 | 0 | 108.3 | T951 | T951-V953 PolarHBondContact O-N 3.47Š| ||
| 954 | P | 24.9 | Very low | 25.3 | Very low | 109.75 Ų | 109.75 | 140 Ų | 140 | 71% | 0.713 | 77% | 0.772 | S | S | * | * | trans | -85.7 | 147.2 | -170.4 | 26 | -22.3 | 0 | 0 | 0 | 112.7 | Q956 | P954-Q956 VanDerWaalsContact C-N 3.33Å; P954-Q956 PolarHBondContact O-N 3.18Å | ||
| 955 | I | 24.3 | Very low | 25.4 | Very low | 156 Ų | 156 | 138.2 Ų | 138.2 | 80% | 0.8 | 77% | 0.768 | S | S | * | * | trans | -89.7 | 106.6 | 158.1 | -69.5 | 168.2 | 0 | 0 | 0 | 110.6 | S957 | I955-S957 WeakPolarHBondContact CG2-OG 3.39Å; I955-S957 PolarHBondContact O-N 3.38Å | ||
| 956 | Q | 24.1 | Very low | 25.6 | Very low | 173 Ų | 173 | 138.2 Ų | 138.2 | 81% | 0.808 | 77% | 0.769 | S | S | * | * | trans | -20.4 | 94.9 | 156.1 | -76.4 | 177.5 | 0.3 | 0 | 0 | 114.3 | P954 N958 | P954-Q956 VanDerWaalsContact C-N 3.33Å; P954-Q956 PolarHBondContact O-N 3.18Å; Q956-N958 PolarHBondContact O-N 2.92Å | ||
| 957 | S | 23.9 | Very low | 25.7 | Very low | 103.5 Ų | 103.5 | 138.3 Ų | 138.3 | 72% | 0.724 | 77% | 0.767 | S | S | * | * | trans | -67.6 | 124.2 | 153.9 | 53.1 | 0 | 0 | 0 | 0 | 110.5 | I955 N959 | I955-S957 WeakPolarHBondContact CG2-OG 3.39Å; I955-S957 PolarHBondContact O-N 3.38Å; S957-N959 PolarHBondContact O-N 3.44Å | ||
| 958 | N | 25.3 | Very low | 25.6 | Very low | 150.75 Ų | 150.75 | 135.9 Ų | 135.9 | 81% | 0.806 | 77% | 0.769 | S | S | * | * | trans | -104.8 | 121.3 | 163.3 | -92.2 | -34.9 | 0 | 0 | 0 | 109.3 | Q956 V960 | Q956-N958 PolarHBondContact O-N 2.92Å; N958-V960 PolarHBondContact O-N 3.31Å | ||
| 959 | N | 25.4 | Very low | 25.7 | Very low | 148.75 Ų | 148.75 | 138 Ų | 138 | 80% | 0.795 | 77% | 0.771 | S | S | * | * | trans | -27 | 119.3 | 148.6 | -72.9 | -35.5 | 0 | 0 | 0 | 112.4 | S957 | S957-N959 PolarHBondContact O-N 3.44Š| ||
| 960 | V | 27 | Very low | 25.6 | Very low | 124 Ų | 124 | 136.3 Ų | 136.3 | 75% | 0.752 | 77% | 0.772 | S | S | * | * | trans | -144.6 | 118.8 | 131 | 175.1 | 0 | 0 | 0 | 0 | 108.3 | N958 T962 | N958-V960 PolarHBondContact O-N 3.31Å; V960-T962 VanDerWaalsContact C-N 3.3Å; V960-T962 HydrophobicContact CG1-CG2 4.14Å; V960-T962 PolarHBondContact O-N 2.91Å | ||
| 961 | N | 25.8 | Very low | 25.7 | Very low | 134.25 Ų | 134.25 | 137.2 Ų | 137.2 | 72% | 0.718 | 77% | 0.773 | S | S | * | * | trans | -64.6 | 143.6 | 162.6 | -84.7 | -18.7 | 0 | 0 | 0 | 111.9 | S405 P406 N963 | S405-N961 VanDerWaalsContact C-C 3.46Å; S405-N961 CarbonylContact C-O 3.57Å; S405-N961 VanDerWaalsContact CB-O 3.26Å; S405-N961 WeakPolarHBondContact CB-O 3.44Å; S405-N961 CarbonylContact O-C 3.6Å; S405-N961 PolarHBondContact OG-N 3.22Å; S405-N961 PolarHBondContact OG-O 3.26Å; P406-N961 WeakPolarHBondContact CA-O 3.18Å; N961-N963 PolarHBondContact O-N 3.07Å | ||
| 962 | T | 26.1 | Very low | 25.8 | Very low | 106.5 Ų | 106.5 | 137.7 Ų | 137.7 | 65% | 0.653 | 78% | 0.776 | S | S | * | * | -105.2 | 136.1 | 128.8 | 38.1 | 0 | 0 | 0 | 0 | 110.3 | I404 S405 V960 V964 | I404-T962 VanDerWaalsContact C-OG1 3.29Å; S405-T962 PolarHBondContact N-OG1 3.4Å; S405-T962 CarbonylContact O-C 3.54Å; S405-T962 VanDerWaalsContact O-C 3.24Å; S405-T962 PolarHBondContact O-N 2.86Å; S405-T962 VanDerWaalsContact O-O 3.1Å; S405-T962 PolarHBondContact OG-N 3.36Å; V960-T962 VanDerWaalsContact C-N 3.3Å; V960-T962 HydrophobicContact CG1-CG2 4.14Å; V960-T962 PolarHBondContact O-N 2.91Å; T962-V964 VanDerWaalsContact C-N 3.33Å; T962-V964 PolarHBondContact O-N 3.07Å | |||
| 963 | N | 26.3 | Very low | 25.9 | Very low | 131.75 Ų | 131.75 | 138.9 Ų | 138.9 | 71% | 0.705 | 78% | 0.777 | S | S | * | * | trans | -67.7 | 99 | 151.2 | -72 | -10.6 | 0 | 0 | 0 | 112.3 | E403 N961 N965 | E403-N963 PolarHBondContact OE2-ND2 3.36Å; N961-N963 PolarHBondContact O-N 3.07Å; N963-N965 VanDerWaalsContact C-N 3.33Å; N963-N965 PolarHBondContact O-N 3.06Å | ||
| 964 | V | 27.9 | Very low | 26.1 | Very low | 132.75 Ų | 132.75 | 140.2 Ų | 140.2 | 81% | 0.805 | 78% | 0.778 | S | S | * | * | trans | -95.9 | 104.1 | 149 | 177 | 0 | 0 | 0 | 0 | 107.5 | T962 | T962-V964 VanDerWaalsContact C-N 3.33Å; T962-V964 PolarHBondContact O-N 3.07Å | ||
| 965 | N | 26.8 | Very low | 26.3 | Very low | 140.75 Ų | 140.75 | 141.9 Ų | 141.9 | 75% | 0.753 | 78% | 0.781 | S | S | * | * | trans | -154.7 | 110.8 | 158.7 | -77.9 | -32.4 | 0 | 0 | 0 | 109.8 | N963 | N963-N965 VanDerWaalsContact C-N 3.33Å; N963-N965 PolarHBondContact O-N 3.06Å | ||
| 966 | D | 28.3 | Very low | 26.5 | Very low | 150 Ų | 150 | 143 Ų | 143 | 80% | 0.802 | 78% | 0.78 | S | S | * | * | trans | 166 | 130.2 | 144 | -93.4 | -26.7 | 0 | 0 | 0 | 113.8 | ||||
| 967 | I | 28.5 | Very low | 26.7 | Very low | 157 Ų | 157 | 142 Ų | 142 | 81% | 0.805 | 78% | 0.78 | S | S | * | * | trans | 109.5 | 84 | 146.8 | -60.2 | 159.2 | 0 | 0 | 0 | 112.1 | ||||
| 968 | C | 25.3 | Very low | 27 | Very low | 127.75 Ų | 127.75 | 144.3 Ų | 144.3 | 86% | 0.863 | 78% | 0.781 | S | S | * | * | trans | -137.8 | 87.3 | 140.3 | -154.8 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 969 | K | 25.3 | Very low | 27.3 | Very low | 196.75 Ų | 196.75 | 141.6 Ų | 141.6 | 86% | 0.855 | 77% | 0.771 | S | S | * | * | trans | -148.4 | 107.7 | 172.8 | -83.1 | 175.6 | -177.9 | 171.7 | 0 | 111.3 | ||||
| 970 | S | 25.4 | Very low | 28 | Very low | 111.5 Ų | 111.5 | 141.6 Ų | 141.6 | 78% | 0.78 | 77% | 0.769 | S | S | * | * | trans | 179.6 | 120.4 | 154.9 | 61.3 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 971 | T | 25 | Very low | 28.4 | Very low | 124.75 Ų | 124.75 | 138.8 Ų | 138.8 | 77% | 0.765 | 76% | 0.759 | S | S | * | * | cis | -151.4 | 126.4 | 20.6 | -68.1 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 972 | T | 27.3 | Very low | 29.1 | Very low | 123.75 Ų | 123.75 | 136.6 Ų | 136.6 | 76% | 0.759 | 75% | 0.747 | S | S | * | * | trans | -163.7 | 126.2 | 150.6 | 39.3 | 0 | 0 | 0 | 0 | 110.5 | L974 | T972-L974 PolarHBondContact O-N 3.46Š| ||
| 973 | Q | 25.7 | Very low | 30.1 | Very low | 184.5 Ų | 184.5 | 135.3 Ų | 135.3 | 86% | 0.862 | 74% | 0.743 | S | S | * | * | trans | -132.4 | 128.4 | 157.7 | -75 | 169.8 | -33.6 | 0 | 0 | 112.5 | ||||
| 974 | L | 29.3 | Very low | 31.2 | Very low | 157.25 Ų | 157.25 | 136.8 Ų | 136.8 | 82% | 0.823 | 74% | 0.743 | S | S | * | * | trans | 174.7 | 123.1 | 147.4 | -83.2 | 163.8 | 0 | 0 | 0 | 109.6 | T972 | T972-L974 PolarHBondContact O-N 3.46Š| ||
| 975 | D | 28.8 | Very low | 32.6 | Very low | 143.75 Ų | 143.75 | 135.9 Ų | 135.9 | 77% | 0.769 | 73% | 0.733 | S | S | * | * | 43.9 | 106.4 | 124.7 | -75.7 | -22.2 | 0 | 0 | 0 | 115.9 | |||||
| 976 | K | 29 | Very low | 34.5 | Very low | 179.25 Ų | 179.25 | 133.1 Ų | 133.1 | 78% | 0.779 | 72% | 0.718 | S | S | * | * | trans | -110.1 | 130.9 | 146.1 | -74.9 | 173.5 | 176.2 | 162.8 | 0 | 112.9 | ||||
| 977 | D | 29.2 | Very low | 36.3 | Very low | 151.75 Ų | 151.75 | 128.5 Ų | 128.5 | 81% | 0.811 | 70% | 0.697 | S | S | * | * | trans | 105.2 | 79 | 141.2 | -67.8 | -20.3 | 0 | 0 | 0 | 114.1 | T979 | D977-T979 PolarHBondContact O-N 2.93Š| ||
| 978 | M | 29.8 | Very low | 38.3 | Very low | 151.75 Ų | 151.75 | 123.6 Ų | 123.6 | 75% | 0.748 | 68% | 0.677 | S | S | * | * | trans | -105.1 | 130.7 | 154.3 | -129.8 | 175.3 | 91.6 | 0 | 0 | 109.3 | D982 L986 | M978-D982 HydrophobicContact CB-CB 4.38Å; M978-D982 HydrophobicContact CE-CB 3.84Å; M978-D982 HydrophobicContact CG-CB 3.7Å; M978-D982 VanDerWaalsContact CG-CB 3.43Å; M978-D982 HydrophobicContact SD-CB 4.44Å; M978-L986 HydrophobicContact CE-CD2 4.37Å | ||
| 979 | T | 31.2 | Very low | 41.2 | Very low | 96 Ų | 96 | 121.7 Ų | 121.7 | 59% | 0.589 | 66% | 0.659 | S | S | * | * | trans | -88.6 | 160.2 | -169.3 | 63.1 | 0 | 0 | 0 | 0 | 112.4 | D977 A981 D982 S983 | D977-T979 PolarHBondContact O-N 2.93Å; T979-A981 PolarHBondContact O-N 3.11Å; T979-A981 VanDerWaalsContact O-N 3.11Å; T979-A981 PolarHBondContact OG1-N 3.37Å; T979-D982 WeakPolarHBondContact CA-OD2 3.44Å; T979-D982 WeakPolarHBondContact CB-OD2 3.18Å; T979-D982 PolarHBondContact N-OD2 3.33Å; T979-D982 PolarHBondContact O-N 3.11Å; T979-D982 PolarHBondContact OG1-N 2.93Å; T979-D982 PolarHBondContact OG1-OD2 3.35Å; T979-S983 PolarHBondContact O-N 3.14Å | ||
| 980 | I | 39.2 | Very low | 44.3 | Very low | 148 Ų | 148 | 114.1 Ų | 114.1 | 76% | 0.759 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -58.5 | -6.5 | 175.7 | -62.9 | 168.8 | 0 | 0 | 0 | 111.4 | S983 K984 | I980-S983 PolarHBondContact O-OG 3.32Å; I980-K984 PolarHBondContact O-N 3.18Å |
| 981 | A | 35.3 | Very low | 47.4 | Very low | 64.5 Ų | 64.5 | 112.1 Ų | 112.1 | 53% | 0.533 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -81.1 | -29.3 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | T979 S983 K984 N985 | T979-A981 PolarHBondContact O-N 3.11Å; T979-A981 VanDerWaalsContact O-N 3.11Å; T979-A981 PolarHBondContact OG1-N 3.37Å; A981-S983 VanDerWaalsContact C-N 3.33Å; A981-S983 PolarHBondContact O-N 2.97Å; A981-K984 WeakPolarHBondContact O-CB 3.42Å; A981-K984 PolarHBondContact O-N 2.97Å; A981-N985 PolarHBondContact O-N 3.3Å |
| 982 | D | 42.6 | Very low | 50.4 | Low | 88.5 Ų | 88.5 | 112.3 Ų | 112.3 | 47% | 0.473 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -49.2 | -15 | 177.9 | -58.3 | -48.8 | 0 | 0 | 0 | 113.9 | M978 T979 K984 N985 L986 | M978-D982 HydrophobicContact CB-CB 4.38Å; M978-D982 HydrophobicContact CE-CB 3.84Å; M978-D982 HydrophobicContact CG-CB 3.7Å; M978-D982 VanDerWaalsContact CG-CB 3.43Å; M978-D982 HydrophobicContact SD-CB 4.44Å; T979-D982 WeakPolarHBondContact CA-OD2 3.44Å; T979-D982 WeakPolarHBondContact CB-OD2 3.18Å; T979-D982 PolarHBondContact N-OD2 3.33Å; T979-D982 PolarHBondContact O-N 3.11Å; T979-D982 PolarHBondContact OG1-N 2.93Å; T979-D982 PolarHBondContact OG1-OD2 3.35Å; D982-K984 VanDerWaalsContact C-N 3.28Å; D982-K984 PolarHBondContact O-N 3.25Å; D982-K984 VanDerWaalsContact O-N 3.11Å; D982-N985 PolarHBondContact O-N 3.2Å; D982-L986 WeakPolarHBondContact O-CB 3.32Å; D982-L986 PolarHBondContact O-N 3.31Å |
| 983 | S | 46.1 | Very low | 53.5 | Low | 79.25 Ų | 79.25 | 107.9 Ų | 107.9 | 55% | 0.554 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -66.8 | -11.3 | 172.3 | 61.6 | 0 | 0 | 0 | 0 | 113.4 | T979 I980 A981 S987 | T979-S983 PolarHBondContact O-N 3.14Å; I980-S983 PolarHBondContact O-OG 3.32Å; A981-S983 VanDerWaalsContact C-N 3.33Å; A981-S983 PolarHBondContact O-N 2.97Å; S983-S987 WeakPolarHBondContact O-CB 3.3Å; S983-S987 PolarHBondContact O-N 2.89Å |
| 984 | K | 50.4 | Low | 56.6 | Low | 162.25 Ų | 162.25 | 99.2 Ų | 99.2 | 71% | 0.705 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -92.2 | -20.2 | 173 | -72.5 | -169.7 | 175.7 | -172.8 | 0 | 111.6 | I980 A981 D982 S987 S988 | I980-K984 PolarHBondContact O-N 3.18Å; A981-K984 WeakPolarHBondContact O-CB 3.42Å; A981-K984 PolarHBondContact O-N 2.97Å; D982-K984 VanDerWaalsContact C-N 3.28Å; D982-K984 PolarHBondContact O-N 3.25Å; D982-K984 VanDerWaalsContact O-N 3.11Å; K984-S987 PolarHBondContact O-N 2.99Å; K984-S988 WeakPolarHBondContact O-CB 3.48Å; K984-S988 PolarHBondContact O-N 2.96Å |
| 985 | N | 56.8 | Low | 59.4 | Low | 114.5 Ų | 114.5 | 95.2 Ų | 95.2 | 61% | 0.612 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -79.6 | -31.4 | 170.6 | -70.8 | -15.4 | 0 | 0 | 0 | 110.5 | A981 D982 S987 S988 D989 | A981-N985 PolarHBondContact O-N 3.3Å; D982-N985 PolarHBondContact O-N 3.2Å; N985-S987 VanDerWaalsContact C-N 3.3Å; N985-S987 PolarHBondContact O-N 3.12Å; N985-S988 WeakPolarHBondContact O-CA 3.37Å; N985-S988 VanDerWaalsContact O-CB 3.3Å; N985-S988 WeakPolarHBondContact O-CB 3.22Å; N985-S988 PolarHBondContact O-N 3.12Å; N985-S988 VanDerWaalsContact O-N 3.14Å; N985-D989 VanDerWaalsContact O-CG 3.29Å; N985-D989 PolarHBondContact O-N 3.18Å |
| 986 | L | 66.8 | Low | 62.3 | Low | 82.5 Ų | 82.5 | 92.1 Ų | 92.1 | 43% | 0.432 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -67.2 | -22.1 | 176.4 | -168.1 | 69.6 | 0 | 0 | 0 | 111.8 | M978 D982 S988 D989 R990 | M978-L986 HydrophobicContact CE-CD2 4.37Å; D982-L986 WeakPolarHBondContact O-CB 3.32Å; D982-L986 PolarHBondContact O-N 3.31Å; L986-S988 VanDerWaalsContact C-N 3.34Å; L986-S988 PolarHBondContact O-N 3.25Å; L986-D989 PolarHBondContact O-N 3.18Å; L986-R990 WeakPolarHBondContact O-CB 3.45Å; L986-R990 VanDerWaalsContact O-CG 3.28Å; L986-R990 WeakPolarHBondContact O-CG 3.33Å; L986-R990 PolarHBondContact O-N 3.07Å |
| 987 | S | 64.5 | Low | 65 | Low | 52.25 Ų | 52.25 | 83.6 Ų | 83.6 | 37% | 0.365 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -68.9 | -16.6 | 171.5 | -175.9 | 0 | 0 | 0 | 0 | 110.8 | S983 K984 N985 D989 H991 W1172 | S983-S987 WeakPolarHBondContact O-CB 3.3Å; S983-S987 PolarHBondContact O-N 2.89Å; K984-S987 PolarHBondContact O-N 2.99Å; N985-S987 VanDerWaalsContact C-N 3.3Å; N985-S987 PolarHBondContact O-N 3.12Å; S987-D989 PolarHBondContact O-N 2.86Å; S987-D989 VanDerWaalsContact O-N 3.08Å; S987-H991 WeakPolarHBondContact O-CB 3.39Å; S987-H991 PolarHBondContact O-N 3.18Å; S987-W1172 VanDerWaalsContact O-CH2 3.31Å; S987-W1172 WeakPolarHBondContact O-CH2 3.35Å; S987-W1172 WeakPolarHBondContact OG-CZ2 3.12Å |
| 988 | S | 71.7 | Confident | 67.8 | Low | 54.5 Ų | 54.5 | 78.4 Ų | 78.4 | 38% | 0.381 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -62.6 | -33.2 | 174.8 | -179.9 | 0 | 0 | 0 | 0 | 111.3 | K984 N985 L986 R990 H991 Q992 E1099 | K984-S988 WeakPolarHBondContact O-CB 3.48Å; K984-S988 PolarHBondContact O-N 2.96Å; N985-S988 WeakPolarHBondContact O-CA 3.37Å; N985-S988 VanDerWaalsContact O-CB 3.3Å; N985-S988 WeakPolarHBondContact O-CB 3.22Å; N985-S988 PolarHBondContact O-N 3.12Å; N985-S988 VanDerWaalsContact O-N 3.14Å; L986-S988 VanDerWaalsContact C-N 3.34Å; L986-S988 PolarHBondContact O-N 3.25Å; S988-R990 VanDerWaalsContact C-N 3.35Å; S988-R990 PolarHBondContact O-N 3.32Å; S988-R990 VanDerWaalsContact O-N 3.12Å; S988-H991 WeakPolarHBondContact O-CB 3.49Å; S988-H991 PolarHBondContact O-N 3.13Å; S988-Q992 WeakPolarHBondContact O-CG 3.28Å; S988-Q992 PolarHBondContact O-N 3.19Å; S988-E1099 WeakPolarHBondContact CB-OE1 3.37Å; S988-E1099 PolarHBondContact OG-OE1 2.9Å |
| 989 | D | 85.7 | Confident | 70.4 | Confident | 89.25 Ų | 89.25 | 78.1 Ų | 78.1 | 48% | 0.477 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -65.3 | -28.3 | 176.8 | -81.1 | -18 | 0 | 0 | 0 | 110.1 | N985 L986 S987 H991 Q992 F993 | N985-D989 VanDerWaalsContact O-CG 3.29Å; N985-D989 PolarHBondContact O-N 3.18Å; L986-D989 PolarHBondContact O-N 3.18Å; S987-D989 PolarHBondContact O-N 2.86Å; S987-D989 VanDerWaalsContact O-N 3.08Å; D989-H991 VanDerWaalsContact C-N 3.34Å; D989-H991 PolarHBondContact O-N 3.36Å; D989-H991 WeakPolarHBondContact OD1-CB 3.3Å; D989-H991 PolarHBondContact OD1-N 2.97Å; D989-Q992 HydrophobicContact CB-CB 3.88Å; D989-Q992 WeakPolarHBondContact O-CB 3.47Å; D989-Q992 PolarHBondContact O-N 3.35Å; D989-F993 PolarHBondContact O-N 3.27Å |
| 990 | R | 90.3 | Very high | 72.9 | Confident | 37 Ų | 37 | 80 Ų | 80 | 14% | 0.14 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -62.6 | -36.3 | 175.1 | -67.1 | -28.6 | -166.4 | -168.5 | -2.3 | 112.5 | L986 S988 F993 I994 T1098 E1099 N1143 G1144 F1145 W1172 | L986-R990 WeakPolarHBondContact O-CB 3.45Å; L986-R990 VanDerWaalsContact O-CG 3.28Å; L986-R990 WeakPolarHBondContact O-CG 3.33Å; L986-R990 PolarHBondContact O-N 3.07Å; S988-R990 VanDerWaalsContact C-N 3.35Å; S988-R990 PolarHBondContact O-N 3.32Å; S988-R990 VanDerWaalsContact O-N 3.12Å; R990-F993 PolarHBondContact O-N 3Å; R990-I994 WeakPolarHBondContact O-CG1 3.41Å; R990-I994 PolarHBondContact O-N 3.07Å; R990-I994 VanDerWaalsContact O-N 3.12Å; R990-T1098 PolarHBondContact NH1-O 3.28Å; R990-T1098 PolarHBondContact NH2-O 2.88Å; R990-E1099 IonicContact CZ-OE1 3.32Å; R990-E1099 VanDerWaalsContact NH1-CD 3.33Å; R990-E1099 VanDerWaalsContact NH1-CG 3.31Å; R990-E1099 IonicContact NH1-OE1 3.08Å; R990-E1099 PolarHBondContact NH1-OE1 3.07Å; R990-E1099 IonicContact NH2-OE1 3.37Å; R990-N1143 PolarHBondContact NE-O 2.65Å; R990-N1143 PolarHBondContact NH2-ND2 3.02Å; R990-G1144 WeakPolarHBondContact CB-O 3.48Å; R990-G1144 VanDerWaalsContact CG-C 3.5Å; R990-F1145 HydrophobicContact CB-CD1 3.75Å; R990-F1145 HydrophobicContact CB-CE1 3.79Å; R990-F1145 HydrophobicContact CB-CG 4.26Å; R990-F1145 HydrophobicContact CB-CZ 4.29Å; R990-F1145 VanDerWaalsContact CD-CZ 3.46Å; R990-F1145 HydrophobicContact CG-CD1 4.03Å; R990-F1145 HydrophobicContact CG-CD2 4.07Å; R990-F1145 HydrophobicContact CG-CE1 3.92Å; R990-F1145 HydrophobicContact CG-CE2 4.09Å; R990-F1145 HydrophobicContact CG-CG 4.03Å; R990-F1145 HydrophobicContact CG-CZ 3.97Å; R990-W1172 HydrophobicContact CB-CH2 4.04Å; R990-W1172 HydrophobicContact CB-CZ3 4.21Å |
| 991 | H | 90 | Very high | 74.9 | Confident | 69.5 Ų | 69.5 | 78.2 Ų | 78.2 | 32% | 0.322 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -65 | -44.3 | 175.2 | -179.2 | 88.3 | 0 | 0 | 0 | 111.4 | S987 S988 D989 F993 I994 E995 W1172 | S987-H991 WeakPolarHBondContact O-CB 3.39Å; S987-H991 PolarHBondContact O-N 3.18Å; S988-H991 WeakPolarHBondContact O-CB 3.49Å; S988-H991 PolarHBondContact O-N 3.13Å; D989-H991 VanDerWaalsContact C-N 3.34Å; D989-H991 PolarHBondContact O-N 3.36Å; D989-H991 WeakPolarHBondContact OD1-CB 3.3Å; D989-H991 PolarHBondContact OD1-N 2.97Å; H991-F993 VanDerWaalsContact C-N 3.31Å; H991-F993 PolarHBondContact O-N 3.06Å; H991-I994 VanDerWaalsContact O-CA 3.23Å; H991-I994 WeakPolarHBondContact O-CA 3.25Å; H991-I994 PolarHBondContact O-N 3.1Å; H991-I994 VanDerWaalsContact O-N 3.16Å; H991-E995 PolarHBondContact O-N 2.89Å; H991-E995 VanDerWaalsContact O-N 3.12Å; H991-W1172 VanDerWaalsContact CA-CZ3 3.5Å; H991-W1172 HydrophobicContact CB-CD2 4.01Å; H991-W1172 HydrophobicContact CB-CE3 4.1Å; H991-W1172 HydrophobicContact CB-CH2 3.88Å; H991-W1172 HydrophobicContact CB-CZ2 3.8Å; H991-W1172 HydrophobicContact CB-CZ3 4.04Å; H991-W1172 AromaticContact CD2-CD2 3.75Å; H991-W1172 AromaticContact CD2-CG 3.67Å; H991-W1172 AromaticContact CE1-CD1 3.77Å; H991-W1172 AromaticContact CE1-CG 3.77Å; H991-W1172 AromaticContact CE1-NE1 3.85Å; H991-W1172 AromaticContact CG-CD2 3.88Å; H991-W1172 AromaticContact CG-CE2 3.85Å; H991-W1172 AromaticContact CG-CG 3.96Å; H991-W1172 AromaticContact CG-NE1 3.94Å; H991-W1172 AromaticContact ND1-CD1 3.44Å; H991-W1172 AromaticContact ND1-CD2 3.25Å; H991-W1172 VanDerWaalsContact ND1-CD2 3.33Å; H991-W1172 AromaticContact ND1-CE2 3.67Å; H991-W1172 AromaticContact ND1-CE3 3.86Å; H991-W1172 AromaticContact ND1-CG 3.07Å; H991-W1172 AromaticContact ND1-NE1 3.62Å; H991-W1172 PolarHBondContact ND1-NE1 3.4Å; H991-W1172 AromaticContact NE2-CD1 3.77Å; H991-W1172 AromaticContact NE2-CG 3.65Å |
| 992 | Q | 89 | Confident | 77 | Confident | 128 Ų | 128 | 76.8 Ų | 76.8 | 60% | 0.598 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -62.2 | -39.7 | 176 | -122.2 | 178.7 | 7.2 | 0 | 0 | 112.1 | S988 D989 I994 E995 E996 | S988-Q992 WeakPolarHBondContact O-CG 3.28Å; S988-Q992 PolarHBondContact O-N 3.19Å; D989-Q992 HydrophobicContact CB-CB 3.88Å; D989-Q992 WeakPolarHBondContact O-CB 3.47Å; D989-Q992 PolarHBondContact O-N 3.35Å; Q992-I994 VanDerWaalsContact C-N 3.33Å; Q992-I994 PolarHBondContact O-N 3.18Å; Q992-E995 PolarHBondContact O-N 2.86Å; Q992-E996 WeakPolarHBondContact O-CB 3.28Å; Q992-E996 PolarHBondContact O-N 3.22Å |
| 993 | F | 91.9 | Very high | 78.5 | Confident | 32.5 Ų | 32.5 | 73.5 Ų | 73.5 | 14% | 0.143 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -62.3 | -40.6 | 174 | 178.7 | -95.2 | 0 | 0 | 0 | 112.6 | D989 R990 H991 E996 I997 E1099 M1102 S1103 F1145 | D989-F993 PolarHBondContact O-N 3.27Å; R990-F993 PolarHBondContact O-N 3Å; H991-F993 VanDerWaalsContact C-N 3.31Å; H991-F993 PolarHBondContact O-N 3.06Å; F993-E996 WeakPolarHBondContact O-CB 3.48Å; F993-E996 PolarHBondContact O-N 3.09Å; F993-I997 HydrophobicContact CD1-CD1 3.95Å; F993-I997 HydrophobicContact CD1-CG1 4.46Å; F993-I997 HydrophobicContact CE1-CD1 3.31Å; F993-I997 VanDerWaalsContact CE1-CD1 3.46Å; F993-I997 HydrophobicContact CE1-CG1 4.14Å; F993-I997 HydrophobicContact CE2-CD1 4.47Å; F993-I997 HydrophobicContact CZ-CD1 3.69Å; F993-I997 HydrophobicContact CZ-CG1 4.26Å; F993-I997 WeakPolarHBondContact O-CG1 3.13Å; F993-I997 PolarHBondContact O-N 3.03Å; F993-E1099 HydrophobicContact CD1-CB 4.47Å; F993-E1099 HydrophobicContact CD1-CG 3.93Å; F993-E1099 HydrophobicContact CD2-CB 4.27Å; F993-E1099 HydrophobicContact CD2-CG 3.69Å; F993-E1099 HydrophobicContact CE1-CB 3.85Å; F993-E1099 HydrophobicContact CE1-CG 3.8Å; F993-E1099 HydrophobicContact CE2-CB 3.64Å; F993-E1099 HydrophobicContact CE2-CG 3.59Å; F993-E1099 HydrophobicContact CG-CG 3.85Å; F993-E1099 HydrophobicContact CZ-CB 3.39Å; F993-E1099 VanDerWaalsContact CZ-CB 3.41Å; F993-E1099 HydrophobicContact CZ-CG 3.64Å; F993-E1099 WeakPolarHBondContact CZ-O 3.39Å; F993-M1102 HydrophobicContact CE1-CB 4.32Å; F993-S1103 WeakPolarHBondContact CZ-OG 3.36Å; F993-F1145 AromaticContact CD1-CE1 3.78Å; F993-F1145 HydrophobicContact CD1-CE1 3.78Å; F993-F1145 HydrophobicContact CD1-CZ 4.16Å; F993-F1145 HydrophobicContact CE1-CE1 4.31Å; F993-F1145 HydrophobicContact CE1-CZ 4.36Å |
| 994 | I | 90.6 | Very high | 79.9 | Confident | 0.25 Ų | 0.25 | 72.1 Ų | 72.1 | 0% | 0.001 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -54.5 | -52.9 | 170.7 | -59 | -64.1 | 0 | 0 | 0 | 112.1 | R990 H991 Q992 E996 I997 R998 M1102 F1145 V1147 P1170 W1172 | R990-I994 WeakPolarHBondContact O-CG1 3.41Å; R990-I994 PolarHBondContact O-N 3.07Å; R990-I994 VanDerWaalsContact O-N 3.12Å; H991-I994 VanDerWaalsContact O-CA 3.23Å; H991-I994 WeakPolarHBondContact O-CA 3.25Å; H991-I994 PolarHBondContact O-N 3.1Å; H991-I994 VanDerWaalsContact O-N 3.16Å; Q992-I994 VanDerWaalsContact C-N 3.33Å; Q992-I994 PolarHBondContact O-N 3.18Å; I994-E996 VanDerWaalsContact C-N 3.31Å; I994-E996 PolarHBondContact O-N 3.25Å; I994-I997 HydrophobicContact CD1-CD1 3.97Å; I994-I997 PolarHBondContact O-N 3Å; I994-R998 HydrophobicContact CG2-CG 4.48Å; I994-R998 WeakPolarHBondContact O-CD 3.46Å; I994-R998 VanDerWaalsContact O-CG 3.27Å; I994-R998 WeakPolarHBondContact O-CG 3.29Å; I994-R998 PolarHBondContact O-N 3.18Å; I994-M1102 HydrophobicContact CD1-CG 3.79Å; I994-M1102 HydrophobicContact CD1-SD 4.34Å; I994-F1145 HydrophobicContact CD1-CD1 4.07Å; I994-F1145 HydrophobicContact CD1-CE1 4.16Å; I994-F1145 HydrophobicContact CG1-CD1 4.05Å; I994-F1145 HydrophobicContact CG1-CE1 4.24Å; I994-V1147 HydrophobicContact CB-CG1 4.37Å; I994-V1147 HydrophobicContact CD1-CG1 3.75Å; I994-V1147 HydrophobicContact CG1-CG1 3.79Å; I994-V1147 HydrophobicContact CG2-CG1 4.15Å; I994-P1170 HydrophobicContact CD1-CB 4.25Å; I994-P1170 HydrophobicContact CD1-CG 4.14Å; I994-P1170 HydrophobicContact CG2-CB 4.12Å; I994-P1170 HydrophobicContact CG2-CG 3.96Å; I994-W1172 HydrophobicContact CB-CE3 4.23Å; I994-W1172 HydrophobicContact CG1-CE3 4.05Å; I994-W1172 HydrophobicContact CG1-CZ3 4.11Å; I994-W1172 HydrophobicContact CG2-CE3 4.46Å |
| 995 | E | 89.2 | Confident | 81.1 | Confident | 73.75 Ų | 73.75 | 67.9 Ų | 67.9 | 35% | 0.345 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -65.9 | -31.3 | 176.5 | -67.2 | -55.6 | 135 | 0 | 0 | 112.7 | H991 Q992 R998 R999 | H991-E995 PolarHBondContact O-N 2.89Å; H991-E995 VanDerWaalsContact O-N 3.12Å; Q992-E995 PolarHBondContact O-N 2.86Å; E995-R998 VanDerWaalsContact CD-CD 3.5Å; E995-R998 VanDerWaalsContact CD-NE 3.27Å; E995-R998 PolarHBondContact O-N 3.18Å; E995-R998 VanDerWaalsContact OE1-CD 3.24Å; E995-R998 WeakPolarHBondContact OE1-CD 3.29Å; E995-R998 IonicContact OE1-CZ 3.2Å; E995-R998 IonicContact OE1-NE 3.26Å; E995-R998 PolarHBondContact OE1-NE 2.79Å; E995-R998 IonicContact OE1-NH1 2.71Å; E995-R998 PolarHBondContact OE1-NH1 3.26Å; E995-R998 WeakPolarHBondContact OE2-CD 3.3Å; E995-R998 IonicContact OE2-CZ 3.25Å; E995-R998 IonicContact OE2-NE 3.42Å; E995-R998 PolarHBondContact OE2-NE 2.93Å; E995-R998 IonicContact OE2-NH2 2.74Å; E995-R999 WeakPolarHBondContact O-CB 3.38Å; E995-R999 PolarHBondContact O-N 3.13Å |
| 996 | E | 88.5 | Confident | 82 | Confident | 78.5 Ų | 78.5 | 65.4 Ų | 65.4 | 37% | 0.367 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -65.5 | -42.7 | 172.5 | -171.9 | 125.8 | 178.4 | 0 | 0 | 112 | Q992 F993 I994 R998 R999 R1000 | Q992-E996 WeakPolarHBondContact O-CB 3.28Å; Q992-E996 PolarHBondContact O-N 3.22Å; F993-E996 WeakPolarHBondContact O-CB 3.48Å; F993-E996 PolarHBondContact O-N 3.09Å; I994-E996 VanDerWaalsContact C-N 3.31Å; I994-E996 PolarHBondContact O-N 3.25Å; E996-R998 VanDerWaalsContact C-N 3.34Å; E996-R998 PolarHBondContact O-N 3.07Å; E996-R999 PolarHBondContact O-N 3.26Å; E996-R999 IonicContact OE1-CZ 3.23Å; E996-R999 IonicContact OE1-NE 3.81Å; E996-R999 IonicContact OE1-NH2 3.21Å; E996-R999 PolarHBondContact OE1-NH2 2.68Å; E996-R999 IonicContact OE2-CZ 3.37Å; E996-R999 VanDerWaalsContact OE2-CZ 3.24Å; E996-R999 IonicContact OE2-NE 2.73Å; E996-R999 PolarHBondContact OE2-NE 2.84Å; E996-R999 IonicContact OE2-NH1 3.69Å; E996-R999 IonicContact OE2-NH2 3.29Å; E996-R999 PolarHBondContact OE2-NH2 3.01Å; E996-R1000 VanDerWaalsContact O-CB 3.23Å; E996-R1000 WeakPolarHBondContact O-CB 3.36Å; E996-R1000 PolarHBondContact O-N 2.95Å; E996-R1000 IonicContact OE1-CZ 2.71Å; E996-R1000 IonicContact OE1-NH1 2.8Å; E996-R1000 PolarHBondContact OE1-NH1 2.92Å |
| 997 | I | 87.2 | Confident | 82.5 | Confident | 2 Ų | 2 | 71 Ų | 71 | 1% | 0.01 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -60 | -49.2 | 173.3 | -73.5 | 178.5 | 0 | 0 | 0 | 110.5 | F993 I994 R999 R1000 E1001 F1002 S1103 C1106 P1170 | F993-I997 HydrophobicContact CD1-CD1 3.95Å; F993-I997 HydrophobicContact CD1-CG1 4.46Å; F993-I997 HydrophobicContact CE1-CD1 3.31Å; F993-I997 VanDerWaalsContact CE1-CD1 3.46Å; F993-I997 HydrophobicContact CE1-CG1 4.14Å; F993-I997 HydrophobicContact CE2-CD1 4.47Å; F993-I997 HydrophobicContact CZ-CD1 3.69Å; F993-I997 HydrophobicContact CZ-CG1 4.26Å; F993-I997 WeakPolarHBondContact O-CG1 3.13Å; F993-I997 PolarHBondContact O-N 3.03Å; I994-I997 HydrophobicContact CD1-CD1 3.97Å; I994-I997 PolarHBondContact O-N 3Å; I997-R999 VanDerWaalsContact C-N 3.26Å; I997-R999 PolarHBondContact O-N 2.88Å; I997-R1000 PolarHBondContact O-N 3.24Å; I997-E1001 HydrophobicContact CG2-CG 4.3Å; I997-E1001 WeakPolarHBondContact O-CB 3.3Å; I997-E1001 PolarHBondContact O-N 3.13Å; I997-F1002 HydrophobicContact CG2-CD2 4.33Å; I997-F1002 HydrophobicContact CG2-CE2 3.93Å; I997-S1103 WeakPolarHBondContact CD1-OG 3.16Å; I997-C1106 HydrophobicContact CG2-CB 4.39Å; I997-P1170 HydrophobicContact CG2-CG 4.38Å |
| 998 | R | 87.1 | Confident | 83 | Confident | 42.5 Ų | 42.5 | 71.8 Ų | 71.8 | 16% | 0.16 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -55.8 | -42.6 | 179.3 | -70 | 168.5 | 66.4 | 99 | 1.5 | 111.3 | I994 E995 E996 F1002 G1003 V1004 I1169 P1170 | I994-R998 HydrophobicContact CG2-CG 4.48Å; I994-R998 WeakPolarHBondContact O-CD 3.46Å; I994-R998 VanDerWaalsContact O-CG 3.27Å; I994-R998 WeakPolarHBondContact O-CG 3.29Å; I994-R998 PolarHBondContact O-N 3.18Å; E995-R998 VanDerWaalsContact CD-CD 3.5Å; E995-R998 VanDerWaalsContact CD-NE 3.27Å; E995-R998 PolarHBondContact O-N 3.18Å; E995-R998 VanDerWaalsContact OE1-CD 3.24Å; E995-R998 WeakPolarHBondContact OE1-CD 3.29Å; E995-R998 IonicContact OE1-CZ 3.2Å; E995-R998 IonicContact OE1-NE 3.26Å; E995-R998 PolarHBondContact OE1-NE 2.79Å; E995-R998 IonicContact OE1-NH1 2.71Å; E995-R998 PolarHBondContact OE1-NH1 3.26Å; E995-R998 WeakPolarHBondContact OE2-CD 3.3Å; E995-R998 IonicContact OE2-CZ 3.25Å; E995-R998 IonicContact OE2-NE 3.42Å; E995-R998 PolarHBondContact OE2-NE 2.93Å; E995-R998 IonicContact OE2-NH2 2.74Å; E996-R998 VanDerWaalsContact C-N 3.34Å; E996-R998 PolarHBondContact O-N 3.07Å; R998-F1002 CarbonylContact O-C 3.27Å; R998-F1002 WeakPolarHBondContact O-CB 3.26Å; R998-F1002 PolarHBondContact O-N 3.11Å; R998-G1003 PolarHBondContact O-N 3Å; R998-V1004 HydrophobicContact CB-CB 4.09Å; R998-V1004 HydrophobicContact CB-CG2 4.39Å; R998-V1004 WeakPolarHBondContact O-CB 3.23Å; R998-V1004 WeakPolarHBondContact O-CG2 3.23Å; R998-V1004 PolarHBondContact O-N 3.19Å; R998-I1169 HydrophobicContact CG-CG2 4.12Å; R998-P1170 VanDerWaalsContact CD-O 3.31Å; R998-P1170 WeakPolarHBondContact CD-O 3.31Å; R998-P1170 HydrophobicContact CG-CG 4.36Å; R998-P1170 WeakPolarHBondContact CG-O 3.38Å; R998-P1170 PolarHBondContact NH1-O 3.1Å |
| 999 | R | 84.8 | Confident | 83.5 | Confident | 145.25 Ų | 145.25 | 72.5 Ų | 72.5 | 55% | 0.548 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -73.5 | -45.9 | 178.5 | -168.9 | -179.8 | 95 | 165.6 | 2.1 | 113.4 | E995 E996 I997 G1003 V1004 V1006 | E995-R999 WeakPolarHBondContact O-CB 3.38Å; E995-R999 PolarHBondContact O-N 3.13Å; E996-R999 PolarHBondContact O-N 3.26Å; E996-R999 IonicContact OE1-CZ 3.23Å; E996-R999 IonicContact OE1-NE 3.81Å; E996-R999 IonicContact OE1-NH2 3.21Å; E996-R999 PolarHBondContact OE1-NH2 2.68Å; E996-R999 IonicContact OE2-CZ 3.37Å; E996-R999 VanDerWaalsContact OE2-CZ 3.24Å; E996-R999 IonicContact OE2-NE 2.73Å; E996-R999 PolarHBondContact OE2-NE 2.84Å; E996-R999 IonicContact OE2-NH1 3.69Å; E996-R999 IonicContact OE2-NH2 3.29Å; E996-R999 PolarHBondContact OE2-NH2 3.01Å; I997-R999 VanDerWaalsContact C-N 3.26Å; I997-R999 PolarHBondContact O-N 2.88Å; R999-G1003 VanDerWaalsContact O-CA 3.3Å; R999-G1003 WeakPolarHBondContact O-CA 3.35Å; R999-G1003 PolarHBondContact O-N 3.2Å; R999-V1004 VanDerWaalsContact CA-O 3.27Å; R999-V1004 WeakPolarHBondContact CA-O 3.38Å; R999-V1006 HydrophobicContact CG-CG2 3.78Å |
| 1000 | R | 84.1 | Confident | 83.2 | Confident | 134.5 Ų | 134.5 | 76.7 Ų | 76.7 | 51% | 0.508 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -78.5 | -45.1 | -170.4 | -170.9 | -179.3 | 73.4 | -143.9 | 0.9 | 113.1 | E996 I997 | E996-R1000 VanDerWaalsContact O-CB 3.23Å; E996-R1000 WeakPolarHBondContact O-CB 3.36Å; E996-R1000 PolarHBondContact O-N 2.95Å; E996-R1000 IonicContact OE1-CZ 2.71Å; E996-R1000 IonicContact OE1-NH1 2.8Å; E996-R1000 PolarHBondContact OE1-NH1 2.92Å; I997-R1000 PolarHBondContact O-N 3.24Å |
| 1001 | E | 80.7 | Confident | 82.6 | Confident | 111.8 Ų | 111.8 | 82.6 Ų | 82.6 | 52% | 0.522 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -91.5 | -30.5 | -173.9 | -53.3 | -58.8 | 154.9 | 0 | 0 | 112.3 | I997 | I997-E1001 HydrophobicContact CG2-CG 4.3Å; I997-E1001 WeakPolarHBondContact O-CB 3.3Å; I997-E1001 PolarHBondContact O-N 3.13Å |
| 1002 | F | 78.8 | Confident | 82 | Confident | 34 Ų | 34 | 80.6 Ų | 80.6 | 15% | 0.149 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -119 | 0.5 | -173.1 | -53.9 | -76.8 | 0 | 0 | 0 | 114.2 | I997 R998 V1004 C1106 L1168 I1169 | I997-F1002 HydrophobicContact CG2-CD2 4.33Å; I997-F1002 HydrophobicContact CG2-CE2 3.93Å; R998-F1002 CarbonylContact O-C 3.27Å; R998-F1002 WeakPolarHBondContact O-CB 3.26Å; R998-F1002 PolarHBondContact O-N 3.11Å; F1002-V1004 HydrophobicContact CB-CG2 4.08Å; F1002-V1004 PolarHBondContact O-N 3.05Å; F1002-V1004 VanDerWaalsContact O-N 3.14Å; F1002-C1106 HydrophobicContact CE2-CB 4.32Å; F1002-C1106 HydrophobicContact CZ-CB 4.33Å; F1002-C1106 WeakPolarHBondContact CZ-O 3.49Å; F1002-L1168 HydrophobicContact CE1-CB 3.86Å; F1002-L1168 HydrophobicContact CE1-CD1 4.34Å; F1002-L1168 HydrophobicContact CZ-CB 3.85Å; F1002-L1168 WeakPolarHBondContact CZ-O 3.33Å; F1002-I1169 HydrophobicContact CB-CD1 3.94Å; F1002-I1169 HydrophobicContact CB-CG1 4.18Å; F1002-I1169 HydrophobicContact CD1-CD1 3.99Å; F1002-I1169 HydrophobicContact CD1-CG1 3.63Å; F1002-I1169 HydrophobicContact CD2-CB 4.39Å; F1002-I1169 HydrophobicContact CD2-CD1 4.37Å; F1002-I1169 HydrophobicContact CD2-CG1 4.04Å; F1002-I1169 HydrophobicContact CD2-CG2 4.25Å; F1002-I1169 HydrophobicContact CE1-CD1 4.48Å; F1002-I1169 HydrophobicContact CE1-CG1 3.96Å; F1002-I1169 HydrophobicContact CE2-CG1 4.29Å; F1002-I1169 HydrophobicContact CG-CB 4.47Å; F1002-I1169 HydrophobicContact CG-CD1 3.97Å; F1002-I1169 HydrophobicContact CG-CG1 3.67Å; F1002-I1169 HydrophobicContact CG-CG2 4.44Å; F1002-I1169 HydrophobicContact CZ-CG1 4.3Å |
| 1003 | G | 74.9 | Confident | 81.3 | Confident | 19.6 Ų | 19.6 | 77.2 Ų | 77.2 | 20% | 0.202 | 40% | 0.396 | C | S | . | . | trans | 67.3 | 10.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | R998 R999 G1005 V1006 | R998-G1003 PolarHBondContact O-N 3Å; R999-G1003 VanDerWaalsContact O-CA 3.3Å; R999-G1003 WeakPolarHBondContact O-CA 3.35Å; R999-G1003 PolarHBondContact O-N 3.2Å; G1003-G1005 PolarHBondContact O-N 3.22Å; G1003-V1006 WeakPolarHBondContact O-CB 3.35Å; G1003-V1006 WeakPolarHBondContact O-CG2 3.48Å; G1003-V1006 PolarHBondContact O-N 3.08Å; G1003-V1006 VanDerWaalsContact O-N 3.15Å | ||
| 1004 | V | 75.4 | Confident | 80.6 | Confident | 49.2 Ų | 49.2 | 79 Ų | 79 | 30% | 0.298 | 41% | 0.408 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | 121.8 | -178.8 | -179.3 | 0 | 0 | 0 | 0 | 109.4 | R998 R999 F1002 V1006 I1169 | R998-V1004 HydrophobicContact CB-CB 4.09Å; R998-V1004 HydrophobicContact CB-CG2 4.39Å; R998-V1004 WeakPolarHBondContact O-CB 3.23Å; R998-V1004 WeakPolarHBondContact O-CG2 3.23Å; R998-V1004 PolarHBondContact O-N 3.19Å; R999-V1004 VanDerWaalsContact CA-O 3.27Å; R999-V1004 WeakPolarHBondContact CA-O 3.38Å; F1002-V1004 HydrophobicContact CB-CG2 4.08Å; F1002-V1004 PolarHBondContact O-N 3.05Å; F1002-V1004 VanDerWaalsContact O-N 3.14Å; V1004-V1006 VanDerWaalsContact C-N 3.33Å; V1004-I1169 HydrophobicContact CG2-CD1 4.32Å; V1004-I1169 HydrophobicContact CG2-CG2 4.37Å |
| 1005 | G | 74.4 | Confident | 79.9 | Confident | 73.6 Ų | 73.6 | 83.7 Ų | 83.7 | 76% | 0.759 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.2 | 7.5 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | G1003 | G1003-G1005 PolarHBondContact O-N 3.22Š|
| 1006 | V | 77.6 | Confident | 79.2 | Confident | 62.4 Ų | 62.4 | 82.9 Ų | 82.9 | 38% | 0.378 | 43% | 0.43 | S | S | . | . | trans | -87.5 | 133.6 | 168.8 | -177 | 0 | 0 | 0 | 0 | 109.4 | R999 G1003 V1004 L1008 | R999-V1006 HydrophobicContact CG-CG2 3.78Å; G1003-V1006 WeakPolarHBondContact O-CB 3.35Å; G1003-V1006 WeakPolarHBondContact O-CG2 3.48Å; G1003-V1006 PolarHBondContact O-N 3.08Å; G1003-V1006 VanDerWaalsContact O-N 3.15Å; V1004-V1006 VanDerWaalsContact C-N 3.33Å; V1006-L1008 HydrophobicContact CB-CD2 4.43Å; V1006-L1008 HydrophobicContact CB-CG 4.26Å; V1006-L1008 HydrophobicContact CG1-CD2 4.03Å; V1006-L1008 HydrophobicContact CG1-CG 4.12Å; V1006-L1008 PolarHBondContact O-N 3.3Å; V1006-L1008 VanDerWaalsContact O-N 3.09Å | ||
| 1007 | E | 76 | Confident | 78.5 | Confident | 200.8 Ų | 200.8 | 83 Ų | 83 | 94% | 0.938 | 43% | 0.43 | S | S | * | . | trans | -71.5 | 98.8 | 171.3 | -69.8 | -175.8 | 174.8 | 0 | 0 | 109.7 | ||||
| 1008 | L | 75.5 | Confident | 77.8 | Confident | 68.6 Ų | 68.6 | 89.1 Ų | 89.1 | 36% | 0.359 | 45% | 0.453 | S | S | . | . | trans | -103.6 | 153.6 | 179.5 | -66.2 | 167.2 | 0 | 0 | 0 | 110.4 | V1006 A1012 T1013 I1016 | V1006-L1008 HydrophobicContact CB-CD2 4.43Å; V1006-L1008 HydrophobicContact CB-CG 4.26Å; V1006-L1008 HydrophobicContact CG1-CD2 4.03Å; V1006-L1008 HydrophobicContact CG1-CG 4.12Å; V1006-L1008 PolarHBondContact O-N 3.3Å; V1006-L1008 VanDerWaalsContact O-N 3.09Å; L1008-A1012 HydrophobicContact CB-CB 4.2Å; L1008-A1012 HydrophobicContact CD2-CB 4.38Å; L1008-T1013 WeakPolarHBondContact CB-OG1 3.32Å; L1008-I1016 HydrophobicContact CD1-CD1 3.53Å; L1008-I1016 VanDerWaalsContact CD1-CD1 3.42Å; L1008-I1016 HydrophobicContact CD2-CD1 4.27Å; L1008-I1016 HydrophobicContact CG-CD1 4.32Å | ||
| 1009 | S | 82.2 | Confident | 77.2 | Confident | 69 Ų | 69 | 91.1 Ų | 91.1 | 48% | 0.483 | 47% | 0.47 | S | S | . | . | trans | -65.1 | 156.2 | 168.1 | 63.8 | 0 | 0 | 0 | 0 | 110.7 | E1011 A1012 T1013 | S1009-E1011 VanDerWaalsContact C-N 3.26Å; S1009-E1011 PolarHBondContact O-N 3.14Å; S1009-E1011 VanDerWaalsContact O-N 3.12Å; S1009-A1012 WeakPolarHBondContact O-CA 3.46Å; S1009-A1012 WeakPolarHBondContact O-CB 3.38Å; S1009-A1012 PolarHBondContact O-N 3.06Å; S1009-A1012 VanDerWaalsContact O-N 3.12Å; S1009-A1012 VanDerWaalsContact OG-CB 3.29Å; S1009-A1012 WeakPolarHBondContact OG-CB 3.36Å; S1009-A1012 PolarHBondContact OG-N 3.19Å; S1009-T1013 WeakPolarHBondContact O-CB 3.34Å; S1009-T1013 PolarHBondContact O-N 3.27Å; S1009-T1013 PolarHBondContact O-OG1 2.96Å; S1009-T1013 VanDerWaalsContact O-OG1 3.14Å | ||
| 1010 | E | 78.3 | Confident | 76.6 | Confident | 178.2 Ų | 178.2 | 85.4 Ų | 85.4 | 83% | 0.833 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -54.5 | -41.4 | 177.3 | -130.6 | 179.8 | 171.4 | 0 | 0 | 111.7 | A1012 T1013 D1014 | E1010-A1012 PolarHBondContact O-N 3.16Å; E1010-T1013 PolarHBondContact O-N 3.03Å; E1010-D1014 VanDerWaalsContact O-CB 3.26Å; E1010-D1014 WeakPolarHBondContact O-CB 3.27Å; E1010-D1014 PolarHBondContact O-N 3.22Å |
| 1011 | E | 79.4 | Confident | 75.9 | Confident | 160.2 Ų | 160.2 | 79.7 Ų | 79.7 | 75% | 0.749 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -61.9 | -42.7 | 175.8 | -100.1 | 176.6 | 169 | 0 | 0 | 112.9 | S1009 T1013 D1014 L1015 | S1009-E1011 VanDerWaalsContact C-N 3.26Å; S1009-E1011 PolarHBondContact O-N 3.14Å; S1009-E1011 VanDerWaalsContact O-N 3.12Å; E1011-T1013 VanDerWaalsContact C-N 3.33Å; E1011-D1014 PolarHBondContact O-N 3.19Å; E1011-L1015 VanDerWaalsContact O-CB 3.3Å; E1011-L1015 WeakPolarHBondContact O-CB 3.27Å; E1011-L1015 PolarHBondContact O-N 2.94Å |
| 1012 | A | 76.8 | Confident | 75.6 | Confident | 28.8 Ų | 28.8 | 80.9 Ų | 80.9 | 24% | 0.238 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -70 | -38.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | L1008 S1009 E1010 L1015 I1016 | L1008-A1012 HydrophobicContact CB-CB 4.2Å; L1008-A1012 HydrophobicContact CD2-CB 4.38Å; S1009-A1012 WeakPolarHBondContact O-CA 3.46Å; S1009-A1012 WeakPolarHBondContact O-CB 3.38Å; S1009-A1012 PolarHBondContact O-N 3.06Å; S1009-A1012 VanDerWaalsContact O-N 3.12Å; S1009-A1012 VanDerWaalsContact OG-CB 3.29Å; S1009-A1012 WeakPolarHBondContact OG-CB 3.36Å; S1009-A1012 PolarHBondContact OG-N 3.19Å; E1010-A1012 PolarHBondContact O-N 3.16Å; A1012-L1015 PolarHBondContact O-N 3.11Å; A1012-I1016 WeakPolarHBondContact O-CB 3.33Å; A1012-I1016 VanDerWaalsContact O-CG1 3.31Å; A1012-I1016 WeakPolarHBondContact O-CG1 3.34Å; A1012-I1016 PolarHBondContact O-N 3.26Å |
| 1013 | T | 74.3 | Confident | 75.5 | Confident | 54.8 Ų | 54.8 | 82.7 Ų | 82.7 | 34% | 0.336 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -63.5 | -46.7 | 176.4 | -52.7 | 0 | 0 | 0 | 0 | 111.1 | L1008 S1009 E1010 E1011 L1015 I1016 Q1017 | L1008-T1013 WeakPolarHBondContact CB-OG1 3.32Å; S1009-T1013 WeakPolarHBondContact O-CB 3.34Å; S1009-T1013 PolarHBondContact O-N 3.27Å; S1009-T1013 PolarHBondContact O-OG1 2.96Å; S1009-T1013 VanDerWaalsContact O-OG1 3.14Å; E1010-T1013 PolarHBondContact O-N 3.03Å; E1011-T1013 VanDerWaalsContact C-N 3.33Å; T1013-L1015 PolarHBondContact O-N 2.98Å; T1013-I1016 PolarHBondContact O-N 3.32Å; T1013-Q1017 WeakPolarHBondContact O-CB 3.28Å; T1013-Q1017 VanDerWaalsContact O-CG 3.3Å; T1013-Q1017 WeakPolarHBondContact O-CG 3.37Å; T1013-Q1017 PolarHBondContact O-N 3.22Å |
| 1014 | D | 75.9 | Confident | 75.3 | Confident | 71.6 Ų | 71.6 | 82.2 Ų | 82.2 | 38% | 0.383 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -63.6 | -38.8 | 175.5 | 173.1 | 54.9 | 0 | 0 | 0 | 112.1 | E1010 E1011 R1018 | E1010-D1014 VanDerWaalsContact O-CB 3.26Å; E1010-D1014 WeakPolarHBondContact O-CB 3.27Å; E1010-D1014 PolarHBondContact O-N 3.22Å; E1011-D1014 PolarHBondContact O-N 3.19Å; D1014-R1018 WeakPolarHBondContact O-CB 3.27Å; D1014-R1018 VanDerWaalsContact O-CG 3.3Å; D1014-R1018 WeakPolarHBondContact O-CG 3.34Å; D1014-R1018 PolarHBondContact O-N 3.24Å; D1014-R1018 VanDerWaalsContact O-N 3.12Å; D1014-R1018 PolarHBondContact O-NE 2.89Å; D1014-R1018 IonicContact OD1-CZ 3.59Å; D1014-R1018 IonicContact OD1-NE 2.92Å; D1014-R1018 IonicContact OD1-NH1 3.52Å; D1014-R1018 PolarHBondContact OD1-NH1 3.02Å; D1014-R1018 IonicContact OD1-NH2 3.05Å; D1014-R1018 PolarHBondContact OD1-NH2 3.28Å; D1014-R1018 IonicContact OD2-CZ 2.99Å; D1014-R1018 IonicContact OD2-NE 3.46Å; D1014-R1018 PolarHBondContact OD2-NE 3Å; D1014-R1018 IonicContact OD2-NH1 3.81Å; D1014-R1018 PolarHBondContact OD2-NH1 3.29Å; D1014-R1018 IonicContact OD2-NH2 2.9Å; D1014-R1018 PolarHBondContact OD2-NH2 2.98Å |
| 1015 | L | 76.7 | Confident | 75.2 | Confident | 98.4 Ų | 98.4 | 87.3 Ų | 87.3 | 52% | 0.515 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -63.5 | -47.9 | 174.2 | -177 | 74.6 | 0 | 0 | 0 | 112.2 | E1011 A1012 T1013 R1018 V1019 | E1011-L1015 VanDerWaalsContact O-CB 3.3Å; E1011-L1015 WeakPolarHBondContact O-CB 3.27Å; E1011-L1015 PolarHBondContact O-N 2.94Å; A1012-L1015 PolarHBondContact O-N 3.11Å; T1013-L1015 PolarHBondContact O-N 2.98Å; L1015-R1018 PolarHBondContact O-N 3.04Å; L1015-V1019 HydrophobicContact CD1-CG2 4.43Å; L1015-V1019 HydrophobicContact CD2-CG2 4.47Å; L1015-V1019 WeakPolarHBondContact O-CG2 3.37Å; L1015-V1019 PolarHBondContact O-N 3.21Å |
| 1016 | I | 75.3 | Confident | 75.1 | Confident | 57 Ų | 57 | 86.8 Ų | 86.8 | 29% | 0.292 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -61.1 | -50.2 | 178.7 | -73.4 | 168.7 | 0 | 0 | 0 | 110.3 | L1008 A1012 T1013 R1018 V1019 E1020 | L1008-I1016 HydrophobicContact CD1-CD1 3.53Å; L1008-I1016 VanDerWaalsContact CD1-CD1 3.42Å; L1008-I1016 HydrophobicContact CD2-CD1 4.27Å; L1008-I1016 HydrophobicContact CG-CD1 4.32Å; A1012-I1016 WeakPolarHBondContact O-CB 3.33Å; A1012-I1016 VanDerWaalsContact O-CG1 3.31Å; A1012-I1016 WeakPolarHBondContact O-CG1 3.34Å; A1012-I1016 PolarHBondContact O-N 3.26Å; T1013-I1016 PolarHBondContact O-N 3.32Å; I1016-R1018 VanDerWaalsContact C-N 3.26Å; I1016-R1018 PolarHBondContact O-N 3.11Å; I1016-R1018 VanDerWaalsContact O-N 3.15Å; I1016-V1019 WeakPolarHBondContact O-CA 3.25Å; I1016-V1019 PolarHBondContact O-N 3.03Å; I1016-V1019 VanDerWaalsContact O-N 3.1Å; I1016-E1020 HydrophobicContact CG2-CG 4.09Å; I1016-E1020 WeakPolarHBondContact CG2-OE1 3.41Å; I1016-E1020 WeakPolarHBondContact CG2-OE2 3.47Å; I1016-E1020 VanDerWaalsContact O-CB 3.31Å; I1016-E1020 WeakPolarHBondContact O-CB 3.36Å; I1016-E1020 VanDerWaalsContact O-CG 3.27Å; I1016-E1020 WeakPolarHBondContact O-CG 3.38Å; I1016-E1020 PolarHBondContact O-N 3.13Å |
| 1017 | Q | 72.2 | Confident | 74.9 | Confident | 80.6 Ų | 80.6 | 84.3 Ų | 84.3 | 38% | 0.377 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -57.9 | -36.6 | 178.5 | -87.3 | -178.4 | 8.9 | 0 | 0 | 112.6 | T1013 G1021 T1162 | T1013-Q1017 WeakPolarHBondContact O-CB 3.28Å; T1013-Q1017 VanDerWaalsContact O-CG 3.3Å; T1013-Q1017 WeakPolarHBondContact O-CG 3.37Å; T1013-Q1017 PolarHBondContact O-N 3.22Å; Q1017-G1021 PolarHBondContact O-N 3.09Å; Q1017-T1162 PolarHBondContact NE2-OG1 3.28Å; Q1017-T1162 PolarHBondContact OE1-OG1 2.98Å |
| 1018 | R | 74.4 | Confident | 74.6 | Confident | 130 Ų | 130 | 75.6 Ų | 75.6 | 49% | 0.491 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -69.9 | -38.7 | 174.9 | -77.9 | -171.3 | -68.5 | -152.8 | -4.8 | 113.3 | D1014 L1015 I1016 K1022 | D1014-R1018 WeakPolarHBondContact O-CB 3.27Å; D1014-R1018 VanDerWaalsContact O-CG 3.3Å; D1014-R1018 WeakPolarHBondContact O-CG 3.34Å; D1014-R1018 PolarHBondContact O-N 3.24Å; D1014-R1018 VanDerWaalsContact O-N 3.12Å; D1014-R1018 PolarHBondContact O-NE 2.89Å; D1014-R1018 IonicContact OD1-CZ 3.59Å; D1014-R1018 IonicContact OD1-NE 2.92Å; D1014-R1018 IonicContact OD1-NH1 3.52Å; D1014-R1018 PolarHBondContact OD1-NH1 3.02Å; D1014-R1018 IonicContact OD1-NH2 3.05Å; D1014-R1018 PolarHBondContact OD1-NH2 3.28Å; D1014-R1018 IonicContact OD2-CZ 2.99Å; D1014-R1018 IonicContact OD2-NE 3.46Å; D1014-R1018 PolarHBondContact OD2-NE 3Å; D1014-R1018 IonicContact OD2-NH1 3.81Å; D1014-R1018 PolarHBondContact OD2-NH1 3.29Å; D1014-R1018 IonicContact OD2-NH2 2.9Å; D1014-R1018 PolarHBondContact OD2-NH2 2.98Å; L1015-R1018 PolarHBondContact O-N 3.04Å; I1016-R1018 VanDerWaalsContact C-N 3.26Å; I1016-R1018 PolarHBondContact O-N 3.11Å; I1016-R1018 VanDerWaalsContact O-N 3.15Å; R1018-K1022 VanDerWaalsContact O-CG 3.31Å; R1018-K1022 WeakPolarHBondContact O-CG 3.28Å; R1018-K1022 PolarHBondContact O-N 2.99Å; R1018-K1022 VanDerWaalsContact O-N 3.1Å |
| 1019 | V | 74.1 | Confident | 74.3 | Confident | 84.8 Ų | 84.8 | 76.7 Ų | 76.7 | 51% | 0.514 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -67.9 | -48.8 | 176.8 | 171.4 | 0 | 0 | 0 | 0 | 110 | L1015 I1016 G1021 K1022 L1023 | L1015-V1019 HydrophobicContact CD1-CG2 4.43Å; L1015-V1019 HydrophobicContact CD2-CG2 4.47Å; L1015-V1019 WeakPolarHBondContact O-CG2 3.37Å; L1015-V1019 PolarHBondContact O-N 3.21Å; I1016-V1019 WeakPolarHBondContact O-CA 3.25Å; I1016-V1019 PolarHBondContact O-N 3.03Å; I1016-V1019 VanDerWaalsContact O-N 3.1Å; V1019-G1021 VanDerWaalsContact C-N 3.33Å; V1019-G1021 PolarHBondContact O-N 3.35Å; V1019-K1022 WeakPolarHBondContact O-CB 3.3Å; V1019-K1022 PolarHBondContact O-N 3.05Å; V1019-K1022 VanDerWaalsContact O-N 3.11Å; V1019-L1023 WeakPolarHBondContact O-CB 3.44Å; V1019-L1023 PolarHBondContact O-N 3.18Å |
| 1020 | E | 71.3 | Confident | 73.7 | Confident | 26.4 Ų | 26.4 | 77 Ų | 77 | 12% | 0.123 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -57.3 | -46.7 | 174.9 | -72.8 | -179.3 | 155 | 0 | 0 | 112 | I1016 K1022 L1023 S1024 P1164 L1166 I1169 | I1016-E1020 HydrophobicContact CG2-CG 4.09Å; I1016-E1020 WeakPolarHBondContact CG2-OE1 3.41Å; I1016-E1020 WeakPolarHBondContact CG2-OE2 3.47Å; I1016-E1020 VanDerWaalsContact O-CB 3.31Å; I1016-E1020 WeakPolarHBondContact O-CB 3.36Å; I1016-E1020 VanDerWaalsContact O-CG 3.27Å; I1016-E1020 WeakPolarHBondContact O-CG 3.38Å; I1016-E1020 PolarHBondContact O-N 3.13Å; E1020-K1022 VanDerWaalsContact C-N 3.3Å; E1020-K1022 PolarHBondContact O-N 3.3Å; E1020-L1023 WeakPolarHBondContact O-CB 3.42Å; E1020-L1023 PolarHBondContact O-N 3.24Å; E1020-L1023 VanDerWaalsContact O-N 3.11Å; E1020-S1024 VanDerWaalsContact O-CB 3.3Å; E1020-S1024 WeakPolarHBondContact O-CB 3.38Å; E1020-S1024 PolarHBondContact O-N 3.15Å; E1020-P1164 HydrophobicContact CB-CB 4.38Å; E1020-P1164 VanDerWaalsContact OE2-CB 3.29Å; E1020-P1164 WeakPolarHBondContact OE2-CB 3.24Å; E1020-P1164 WeakPolarHBondContact OE2-CG 3.34Å; E1020-L1166 HydrophobicContact CB-CD1 3.68Å; E1020-L1166 VanDerWaalsContact CB-CD1 3.45Å; E1020-L1166 HydrophobicContact CB-CD2 4.37Å; E1020-L1166 HydrophobicContact CG-CD1 3.96Å; E1020-L1166 WeakPolarHBondContact O-CD2 3.36Å; E1020-I1169 WeakPolarHBondContact OE1-CD1 3.33Å |
| 1021 | G | 70.2 | Confident | 73.2 | Confident | 14.8 Ų | 14.8 | 68.7 Ų | 68.7 | 15% | 0.153 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -62.4 | -33.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q1017 V1019 R1025 | Q1017-G1021 PolarHBondContact O-N 3.09Å; V1019-G1021 VanDerWaalsContact C-N 3.33Å; V1019-G1021 PolarHBondContact O-N 3.35Å; G1021-R1025 VanDerWaalsContact C-NH2 3.31Å; G1021-R1025 WeakPolarHBondContact O-CB 3.38Å; G1021-R1025 WeakPolarHBondContact O-CG 3.31Å; G1021-R1025 VanDerWaalsContact O-CZ 3.3Å; G1021-R1025 PolarHBondContact O-N 3.09Å; G1021-R1025 VanDerWaalsContact O-N 3.15Å; G1021-R1025 PolarHBondContact O-NE 3.34Å; G1021-R1025 PolarHBondContact O-NH1 3.07Å; G1021-R1025 VanDerWaalsContact O-NH1 3.1Å; G1021-R1025 PolarHBondContact O-NH2 3.06Å; G1021-R1025 VanDerWaalsContact O-NH2 3.13Å |
| 1022 | K | 74.3 | Confident | 72.6 | Confident | 136.4 Ų | 136.4 | 64.2 Ų | 64.2 | 59% | 0.593 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -69.7 | -46.2 | 171.9 | -75.9 | 175.3 | 179.9 | -176.7 | 0 | 111.2 | R1018 V1019 E1020 S1024 R1025 S1026 | R1018-K1022 VanDerWaalsContact O-CG 3.31Å; R1018-K1022 WeakPolarHBondContact O-CG 3.28Å; R1018-K1022 PolarHBondContact O-N 2.99Å; R1018-K1022 VanDerWaalsContact O-N 3.1Å; V1019-K1022 WeakPolarHBondContact O-CB 3.3Å; V1019-K1022 PolarHBondContact O-N 3.05Å; V1019-K1022 VanDerWaalsContact O-N 3.11Å; E1020-K1022 VanDerWaalsContact C-N 3.3Å; E1020-K1022 PolarHBondContact O-N 3.3Å; K1022-S1024 VanDerWaalsContact C-N 3.34Å; K1022-S1024 PolarHBondContact O-N 3.15Å; K1022-R1025 PolarHBondContact O-N 3.27Å; K1022-S1026 WeakPolarHBondContact O-CB 3.46Å; K1022-S1026 PolarHBondContact O-N 3.21Å; K1022-S1026 VanDerWaalsContact O-N 3.07Å; K1022-S1026 PolarHBondContact O-OG 2.98Å; K1022-S1026 VanDerWaalsContact O-OG 3.12Å |
| 1023 | L | 75.7 | Confident | 72.1 | Confident | 71.4 Ų | 71.4 | 69.1 Ų | 69.1 | 37% | 0.374 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -62.2 | -45.2 | -178.9 | -164.4 | 72.3 | 0 | 0 | 0 | 111.8 | V1019 E1020 S1026 L1027 I1108 L1168 | V1019-L1023 WeakPolarHBondContact O-CB 3.44Å; V1019-L1023 PolarHBondContact O-N 3.18Å; E1020-L1023 WeakPolarHBondContact O-CB 3.42Å; E1020-L1023 PolarHBondContact O-N 3.24Å; E1020-L1023 VanDerWaalsContact O-N 3.11Å; L1023-S1026 WeakPolarHBondContact O-CB 3.34Å; L1023-S1026 PolarHBondContact O-N 3.18Å; L1023-L1027 WeakPolarHBondContact O-CB 3.36Å; L1023-L1027 WeakPolarHBondContact O-CG 3.38Å; L1023-L1027 PolarHBondContact O-N 3.19Å; L1023-I1108 HydrophobicContact CD1-CD1 3.56Å; L1023-I1108 HydrophobicContact CD2-CD1 3.87Å; L1023-I1108 HydrophobicContact CG-CD1 3.69Å; L1023-L1168 HydrophobicContact CD2-CD1 3.61Å; L1023-L1168 VanDerWaalsContact CD2-CD1 3.46Å; L1023-L1168 HydrophobicContact CD2-CG 4.38Å; L1023-L1168 HydrophobicContact CG-CD1 4.39Å |
| 1024 | S | 71.4 | Confident | 71.4 | Confident | 8.8 Ų | 8.8 | 68.4 Ų | 68.4 | 6% | 0.062 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -61.3 | -47.8 | 177 | 179.2 | 0 | 0 | 0 | 0 | 112.1 | E1020 K1022 S1026 L1027 V1028 S1165 I1167 | E1020-S1024 VanDerWaalsContact O-CB 3.3Å; E1020-S1024 WeakPolarHBondContact O-CB 3.38Å; E1020-S1024 PolarHBondContact O-N 3.15Å; K1022-S1024 VanDerWaalsContact C-N 3.34Å; K1022-S1024 PolarHBondContact O-N 3.15Å; S1024-S1026 VanDerWaalsContact C-N 3.31Å; S1024-S1026 PolarHBondContact O-N 3.07Å; S1024-L1027 PolarHBondContact O-N 3.08Å; S1024-L1027 VanDerWaalsContact O-N 3.15Å; S1024-V1028 WeakPolarHBondContact O-CG2 3.38Å; S1024-V1028 PolarHBondContact O-N 3.11Å; S1024-S1165 VanDerWaalsContact CB-OG 3.27Å; S1024-S1165 WeakPolarHBondContact CB-OG 3.34Å; S1024-S1165 VanDerWaalsContact OG-CB 3.3Å; S1024-S1165 WeakPolarHBondContact OG-CB 3.38Å; S1024-S1165 PolarHBondContact OG-OG 3.05Å; S1024-I1167 WeakPolarHBondContact OG-CD1 3.23Å |
| 1025 | R | 72.7 | Confident | 70.8 | Confident | 156.4 Ų | 156.4 | 65.6 Ų | 65.6 | 59% | 0.59 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -60.1 | -41.1 | 175.9 | -76.2 | -176.5 | -64 | -114.4 | -1.2 | 112 | G1021 K1022 V1028 Q1029 | G1021-R1025 VanDerWaalsContact C-NH2 3.31Å; G1021-R1025 WeakPolarHBondContact O-CB 3.38Å; G1021-R1025 WeakPolarHBondContact O-CG 3.31Å; G1021-R1025 VanDerWaalsContact O-CZ 3.3Å; G1021-R1025 PolarHBondContact O-N 3.09Å; G1021-R1025 VanDerWaalsContact O-N 3.15Å; G1021-R1025 PolarHBondContact O-NE 3.34Å; G1021-R1025 PolarHBondContact O-NH1 3.07Å; G1021-R1025 VanDerWaalsContact O-NH1 3.1Å; G1021-R1025 PolarHBondContact O-NH2 3.06Å; G1021-R1025 VanDerWaalsContact O-NH2 3.13Å; K1022-R1025 PolarHBondContact O-N 3.27Å; R1025-V1028 PolarHBondContact O-N 3.16Å; R1025-Q1029 WeakPolarHBondContact O-CB 3.43Å; R1025-Q1029 PolarHBondContact O-N 3.25Å; R1025-Q1029 VanDerWaalsContact O-N 3.08Å |
| 1026 | S | 72.9 | Confident | 70 | Confident | 64 Ų | 64 | 63.4 Ų | 63.4 | 45% | 0.448 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -64.3 | -43.1 | 176.2 | -56.8 | 0 | 0 | 0 | 0 | 111.6 | K1022 L1023 S1024 Q1029 L1030 | K1022-S1026 WeakPolarHBondContact O-CB 3.46Å; K1022-S1026 PolarHBondContact O-N 3.21Å; K1022-S1026 VanDerWaalsContact O-N 3.07Å; K1022-S1026 PolarHBondContact O-OG 2.98Å; K1022-S1026 VanDerWaalsContact O-OG 3.12Å; L1023-S1026 WeakPolarHBondContact O-CB 3.34Å; L1023-S1026 PolarHBondContact O-N 3.18Å; S1024-S1026 VanDerWaalsContact C-N 3.31Å; S1024-S1026 PolarHBondContact O-N 3.07Å; S1026-Q1029 PolarHBondContact O-N 3.12Å; S1026-L1030 VanDerWaalsContact O-CB 3.26Å; S1026-L1030 WeakPolarHBondContact O-CB 3.39Å; S1026-L1030 WeakPolarHBondContact O-CD1 3.43Å; S1026-L1030 WeakPolarHBondContact O-CG 3.36Å; S1026-L1030 PolarHBondContact O-N 3.07Å |
| 1027 | L | 73 | Confident | 69.6 | Low | 9 Ų | 9 | 65.2 Ų | 65.2 | 5% | 0.047 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -65.6 | -41 | 176.9 | -83 | 173.5 | 0 | 0 | 0 | 113.2 | L1023 S1024 Q1029 L1030 S1031 I1108 I1167 L1168 | L1023-L1027 WeakPolarHBondContact O-CB 3.36Å; L1023-L1027 WeakPolarHBondContact O-CG 3.38Å; L1023-L1027 PolarHBondContact O-N 3.19Å; S1024-L1027 PolarHBondContact O-N 3.08Å; S1024-L1027 VanDerWaalsContact O-N 3.15Å; L1027-Q1029 VanDerWaalsContact C-N 3.34Å; L1027-L1030 WeakPolarHBondContact O-CB 3.41Å; L1027-L1030 PolarHBondContact O-N 3.27Å; L1027-S1031 WeakPolarHBondContact O-CB 3.37Å; L1027-S1031 PolarHBondContact O-N 3.03Å; L1027-S1031 PolarHBondContact O-OG 3.29Å; L1027-I1108 HydrophobicContact CD1-CD1 3.63Å; L1027-I1108 VanDerWaalsContact CD1-CD1 3.49Å; L1027-I1108 HydrophobicContact CD1-CG1 4Å; L1027-I1108 HydrophobicContact CD2-CD1 3.79Å; L1027-I1108 HydrophobicContact CD2-CG1 3.97Å; L1027-I1108 HydrophobicContact CD2-CG2 4.16Å; L1027-I1108 HydrophobicContact CG-CD1 3.76Å; L1027-I1108 HydrophobicContact CG-CG1 4.34Å; L1027-I1167 HydrophobicContact CB-CD1 4.13Å; L1027-I1167 HydrophobicContact CB-CG2 4.41Å; L1027-I1167 HydrophobicContact CD1-CB 4.28Å; L1027-I1167 HydrophobicContact CD1-CG2 3.89Å; L1027-L1168 HydrophobicContact CD1-CD1 4.1Å; L1027-L1168 HydrophobicContact CD1-CD2 3.79Å; L1027-L1168 HydrophobicContact CD1-CG 3.76Å |
| 1028 | V | 69.2 | Low | 69.4 | Low | 17.6 Ų | 17.6 | 64.2 Ų | 64.2 | 11% | 0.107 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -60.2 | -48.7 | 174.4 | 167.3 | 0 | 0 | 0 | 0 | 110.3 | S1024 R1025 L1030 S1031 E1032 R1151 I1167 | S1024-V1028 WeakPolarHBondContact O-CG2 3.38Å; S1024-V1028 PolarHBondContact O-N 3.11Å; R1025-V1028 PolarHBondContact O-N 3.16Å; V1028-L1030 VanDerWaalsContact C-N 3.29Å; V1028-L1030 PolarHBondContact O-N 3.16Å; V1028-S1031 WeakPolarHBondContact CA-OG 3.38Å; V1028-S1031 PolarHBondContact O-N 3.19Å; V1028-S1031 VanDerWaalsContact O-N 3.12Å; V1028-S1031 PolarHBondContact O-OG 3.21Å; V1028-E1032 HydrophobicContact CG1-CG 4.43Å; V1028-E1032 WeakPolarHBondContact CG1-OE2 3.14Å; V1028-E1032 WeakPolarHBondContact O-CB 3.39Å; V1028-E1032 WeakPolarHBondContact O-CG 3.45Å; V1028-E1032 PolarHBondContact O-N 3.17Å; V1028-R1151 VanDerWaalsContact CG1-NH2 3.25Å; V1028-R1151 HydrophobicContact CG2-CG 4.06Å; V1028-I1167 HydrophobicContact CB-CD1 4.38Å; V1028-I1167 HydrophobicContact CG2-CD1 3.43Å; V1028-I1167 VanDerWaalsContact CG2-CD1 3.45Å |
| 1029 | Q | 71 | Confident | 69.6 | Low | 92 Ų | 92 | 58.1 Ų | 58.1 | 43% | 0.43 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -61.8 | -44.2 | 178.1 | -172.2 | 176.4 | -6.9 | 0 | 0 | 110.8 | R1025 S1026 L1027 S1031 E1032 E1033 | R1025-Q1029 WeakPolarHBondContact O-CB 3.43Å; R1025-Q1029 PolarHBondContact O-N 3.25Å; R1025-Q1029 VanDerWaalsContact O-N 3.08Å; S1026-Q1029 PolarHBondContact O-N 3.12Å; L1027-Q1029 VanDerWaalsContact C-N 3.34Å; Q1029-S1031 VanDerWaalsContact C-N 3.32Å; Q1029-S1031 PolarHBondContact O-N 3.15Å; Q1029-E1032 PolarHBondContact O-N 2.99Å; Q1029-E1033 HydrophobicContact CG-CG 4.12Å; Q1029-E1033 WeakPolarHBondContact CG-OE1 3.38Å; Q1029-E1033 VanDerWaalsContact CG-OE2 3.29Å; Q1029-E1033 WeakPolarHBondContact CG-OE2 3.41Å; Q1029-E1033 PolarHBondContact NE2-OE1 3.13Å; Q1029-E1033 VanDerWaalsContact NE2-OE1 3.13Å; Q1029-E1033 PolarHBondContact NE2-OE2 3.25Å; Q1029-E1033 VanDerWaalsContact O-CB 3.27Å; Q1029-E1033 WeakPolarHBondContact O-CB 3.32Å; Q1029-E1033 WeakPolarHBondContact O-CG 3.26Å; Q1029-E1033 PolarHBondContact O-N 3.2Å |
| 1030 | L | 68.7 | Low | 70 | Confident | 75 Ų | 75 | 54.8 Ų | 54.8 | 39% | 0.393 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -63 | -38.3 | 176.9 | -103 | 135.2 | 0 | 0 | 0 | 112.4 | S1026 L1027 V1028 L1034 I1126 | S1026-L1030 VanDerWaalsContact O-CB 3.26Å; S1026-L1030 WeakPolarHBondContact O-CB 3.39Å; S1026-L1030 WeakPolarHBondContact O-CD1 3.43Å; S1026-L1030 WeakPolarHBondContact O-CG 3.36Å; S1026-L1030 PolarHBondContact O-N 3.07Å; L1027-L1030 WeakPolarHBondContact O-CB 3.41Å; L1027-L1030 PolarHBondContact O-N 3.27Å; V1028-L1030 VanDerWaalsContact C-N 3.29Å; V1028-L1030 PolarHBondContact O-N 3.16Å; L1030-L1034 HydrophobicContact CB-CD1 3.92Å; L1030-L1034 HydrophobicContact CB-CG 4.22Å; L1030-L1034 HydrophobicContact CD1-CD1 3.59Å; L1030-L1034 HydrophobicContact CD1-CD2 4.47Å; L1030-L1034 HydrophobicContact CD1-CG 3.84Å; L1030-L1034 HydrophobicContact CD2-CD1 3.85Å; L1030-L1034 HydrophobicContact CD2-CD2 4.11Å; L1030-L1034 HydrophobicContact CD2-CG 3.92Å; L1030-L1034 HydrophobicContact CG-CD1 3.75Å; L1030-L1034 VanDerWaalsContact CG-CD1 3.41Å; L1030-L1034 HydrophobicContact CG-CG 3.79Å; L1030-L1034 WeakPolarHBondContact O-CB 3.28Å; L1030-L1034 WeakPolarHBondContact O-CD1 3.41Å; L1030-L1034 WeakPolarHBondContact O-CG 3.37Å; L1030-L1034 PolarHBondContact O-N 3.28Å; L1030-L1034 VanDerWaalsContact O-N 3.15Å; L1030-I1126 HydrophobicContact CD2-CD1 4.33Å; L1030-I1126 HydrophobicContact CD2-CG2 4.31Å |
| 1031 | S | 67.3 | Low | 70.7 | Confident | 5.2 Ų | 5.2 | 53.8 Ų | 53.8 | 4% | 0.036 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -70.6 | -36.9 | 176.6 | 59.4 | 0 | 0 | 0 | 0 | 112.7 | L1027 V1028 Q1029 Y1035 K1129 N1133 | L1027-S1031 WeakPolarHBondContact O-CB 3.37Å; L1027-S1031 PolarHBondContact O-N 3.03Å; L1027-S1031 PolarHBondContact O-OG 3.29Å; V1028-S1031 WeakPolarHBondContact CA-OG 3.38Å; V1028-S1031 PolarHBondContact O-N 3.19Å; V1028-S1031 VanDerWaalsContact O-N 3.12Å; V1028-S1031 PolarHBondContact O-OG 3.21Å; Q1029-S1031 VanDerWaalsContact C-N 3.32Å; Q1029-S1031 PolarHBondContact O-N 3.15Å; S1031-Y1035 WeakPolarHBondContact O-CD2 3.37Å; S1031-K1129 VanDerWaalsContact CB-O 3.3Å; S1031-K1129 WeakPolarHBondContact CB-O 3.38Å; S1031-N1133 VanDerWaalsContact C-OD1 3.27Å; S1031-N1133 VanDerWaalsContact O-CG 3.29Å; S1031-N1133 PolarHBondContact O-ND2 3.1Å; S1031-N1133 PolarHBondContact O-OD1 3.09Å; S1031-N1133 VanDerWaalsContact O-OD1 3.11Å |
| 1032 | E | 67.1 | Low | 71.7 | Confident | 65.6 Ų | 65.6 | 53.1 Ų | 53.1 | 31% | 0.307 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -78.3 | -35.5 | 179.4 | -71.3 | -173 | 153 | 0 | 0 | 113.1 | V1028 Q1029 N1133 R1151 K1154 R1208 | V1028-E1032 HydrophobicContact CG1-CG 4.43Å; V1028-E1032 WeakPolarHBondContact CG1-OE2 3.14Å; V1028-E1032 WeakPolarHBondContact O-CB 3.39Å; V1028-E1032 WeakPolarHBondContact O-CG 3.45Å; V1028-E1032 PolarHBondContact O-N 3.17Å; Q1029-E1032 PolarHBondContact O-N 2.99Å; E1032-N1133 VanDerWaalsContact CA-OD1 3.23Å; E1032-N1133 WeakPolarHBondContact CA-OD1 3.5Å; E1032-N1133 PolarHBondContact N-OD1 3.33Å; E1032-N1133 VanDerWaalsContact N-OD1 3.16Å; E1032-R1151 IonicContact OE1-CZ 3.25Å; E1032-R1151 VanDerWaalsContact OE1-CZ 3.29Å; E1032-R1151 IonicContact OE1-NH1 3.19Å; E1032-R1151 PolarHBondContact OE1-NH1 3.33Å; E1032-R1151 IonicContact OE1-NH2 3.27Å; E1032-R1151 PolarHBondContact OE1-NH2 3.15Å; E1032-R1151 IonicContact OE2-NH2 3.12Å; E1032-R1151 PolarHBondContact OE2-NH2 3.33Å; E1032-K1154 IonicContact OE1-NZ 2.77Å; E1032-K1154 PolarHBondContact OE1-NZ 2.93Å; E1032-K1154 IonicContact OE2-NZ 3.33Å; E1032-K1154 PolarHBondContact OE2-NZ 3.2Å; E1032-K1154 VanDerWaalsContact OE2-NZ 3.16Å; E1032-R1208 IonicContact OE1-NH2 3.06Å |
| 1033 | E | 66.3 | Low | 72.4 | Confident | 131.2 Ų | 131.2 | 47.6 Ų | 47.6 | 61% | 0.613 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -104.5 | -23.7 | -170.2 | -63.8 | -179.7 | 178.1 | 0 | 0 | 114.5 | Q1029 Y1035 | Q1029-E1033 HydrophobicContact CG-CG 4.12Å; Q1029-E1033 WeakPolarHBondContact CG-OE1 3.38Å; Q1029-E1033 VanDerWaalsContact CG-OE2 3.29Å; Q1029-E1033 WeakPolarHBondContact CG-OE2 3.41Å; Q1029-E1033 PolarHBondContact NE2-OE1 3.13Å; Q1029-E1033 VanDerWaalsContact NE2-OE1 3.13Å; Q1029-E1033 PolarHBondContact NE2-OE2 3.25Å; Q1029-E1033 VanDerWaalsContact O-CB 3.27Å; Q1029-E1033 WeakPolarHBondContact O-CB 3.32Å; Q1029-E1033 WeakPolarHBondContact O-CG 3.26Å; Q1029-E1033 PolarHBondContact O-N 3.2Å; E1033-Y1035 VanDerWaalsContact C-N 3.31Å; E1033-Y1035 PolarHBondContact O-N 3.35Å |
| 1034 | L | 60.3 | Low | 73 | Confident | 39.6 Ų | 39.6 | 44.4 Ų | 44.4 | 21% | 0.207 | 24% | 0.237 | C | C | . | . | S | Bend | trans | -73 | -24.2 | -179.8 | -90.5 | 168 | 0 | 0 | 0 | 113.1 | L1030 I1126 S1367 S1368 | L1030-L1034 HydrophobicContact CB-CD1 3.92Å; L1030-L1034 HydrophobicContact CB-CG 4.22Å; L1030-L1034 HydrophobicContact CD1-CD1 3.59Å; L1030-L1034 HydrophobicContact CD1-CD2 4.47Å; L1030-L1034 HydrophobicContact CD1-CG 3.84Å; L1030-L1034 HydrophobicContact CD2-CD1 3.85Å; L1030-L1034 HydrophobicContact CD2-CD2 4.11Å; L1030-L1034 HydrophobicContact CD2-CG 3.92Å; L1030-L1034 HydrophobicContact CG-CD1 3.75Å; L1030-L1034 VanDerWaalsContact CG-CD1 3.41Å; L1030-L1034 HydrophobicContact CG-CG 3.79Å; L1030-L1034 WeakPolarHBondContact O-CB 3.28Å; L1030-L1034 WeakPolarHBondContact O-CD1 3.41Å; L1030-L1034 WeakPolarHBondContact O-CG 3.37Å; L1030-L1034 PolarHBondContact O-N 3.28Å; L1030-L1034 VanDerWaalsContact O-N 3.15Å; L1034-I1126 HydrophobicContact CD1-CD1 3.72Å; L1034-I1126 VanDerWaalsContact CD1-CD1 3.48Å; L1034-I1126 HydrophobicContact CD2-CD1 3.6Å; L1034-S1367 WeakPolarHBondContact CD2-O 3.25Å; L1034-S1368 WeakPolarHBondContact O-CA 3.42Å; L1034-S1368 WeakPolarHBondContact O-CB 3.27Å |
| 1035 | Y | 62.8 | Low | 74 | Confident | 13.4 Ų | 13.4 | 44.3 Ų | 44.3 | 5% | 0.053 | 24% | 0.235 | C | C | . | . | trans | -112.6 | 101 | -177.1 | -54.7 | -69.3 | 0 | 0 | 0 | 109.1 | S1031 E1033 L1037 H1040 E1044 I1126 S1368 | S1031-Y1035 WeakPolarHBondContact O-CD2 3.37Å; E1033-Y1035 VanDerWaalsContact C-N 3.31Å; E1033-Y1035 PolarHBondContact O-N 3.35Å; Y1035-L1037 VanDerWaalsContact C-N 3.32Å; Y1035-L1037 PolarHBondContact O-N 3.12Å; Y1035-H1040 HydrophobicContact CD1-CB 4.27Å; Y1035-H1040 AromaticContact CD1-CD2 3.7Å; Y1035-H1040 AromaticContact CD1-CE1 3.33Å; Y1035-H1040 VanDerWaalsContact CD1-CE1 3.41Å; Y1035-H1040 WeakPolarHBondContact CD1-CE1 3.23Å; Y1035-H1040 AromaticContact CD1-CG 3.58Å; Y1035-H1040 VanDerWaalsContact CD1-CG 3.47Å; Y1035-H1040 AromaticContact CD1-ND1 3.18Å; Y1035-H1040 VanDerWaalsContact CD1-ND1 3.28Å; Y1035-H1040 WeakPolarHBondContact CD1-ND1 3.32Å; Y1035-H1040 AromaticContact CD1-NE2 3.74Å; Y1035-H1040 AromaticContact CE1-CE1 3.25Å; Y1035-H1040 WeakPolarHBondContact CE1-CE1 3.26Å; Y1035-H1040 AromaticContact CE1-CG 3.89Å; Y1035-H1040 AromaticContact CE1-ND1 3.42Å; Y1035-H1040 VanDerWaalsContact CE1-ND1 3.31Å; Y1035-H1040 WeakPolarHBondContact CE1-ND1 3.38Å; Y1035-H1040 AromaticContact CE1-NE2 3.86Å; Y1035-H1040 HydrophobicContact CG-CB 4.25Å; Y1035-H1040 AromaticContact CG-CG 3.92Å; Y1035-H1040 AromaticContact CG-ND1 3.75Å; Y1035-E1044 PolarHBondContact OH-OE1 3.26Å; Y1035-I1126 VanDerWaalsContact OH-CD1 3.29Å; Y1035-I1126 WeakPolarHBondContact OH-CD1 3.29Å; Y1035-I1126 VanDerWaalsContact OH-CG1 3.28Å; Y1035-I1126 WeakPolarHBondContact OH-CG1 3.39Å; Y1035-S1368 WeakPolarHBondContact CD1-O 3.37Å; Y1035-S1368 WeakPolarHBondContact CE1-O 3.46Å | ||
| 1036 | G | 59 | Low | 75 | Confident | 52.4 Ų | 52.4 | 36.9 Ų | 36.9 | 54% | 0.54 | 21% | 0.207 | S | C | . | . | S | Bend | trans | -68.6 | -28.1 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | P1038 E1370 | G1036-P1038 WeakPolarHBondContact O-CD 3.19Å; G1036-E1370 VanDerWaalsContact CA-OE1 3.26Å; G1036-E1370 WeakPolarHBondContact CA-OE1 3.29Å; G1036-E1370 VanDerWaalsContact CA-OE2 3.23Å; G1036-E1370 WeakPolarHBondContact CA-OE2 3.44Å; G1036-E1370 PolarHBondContact N-OE1 3.16Å; G1036-E1370 PolarHBondContact N-OE2 3.2Å |
| 1037 | L | 67.5 | Low | 75.7 | Confident | 95 Ų | 95 | 34.2 Ų | 34.2 | 50% | 0.497 | 19% | 0.188 | S | C | . | . | S | Bend | trans | -91.3 | 122.6 | 178.5 | -67.7 | 175.5 | 0 | 0 | 0 | 112.3 | D693 Y1035 G1039 H1040 E1370 | D693-L1037 HydrophobicContact CB-CD2 4.19Å; Y1035-L1037 VanDerWaalsContact C-N 3.32Å; Y1035-L1037 PolarHBondContact O-N 3.12Å; L1037-G1039 PolarHBondContact O-N 3.17Å; L1037-G1039 VanDerWaalsContact O-N 3.1Å; L1037-H1040 VanDerWaalsContact O-CB 3.29Å; L1037-H1040 WeakPolarHBondContact O-CB 3.35Å; L1037-H1040 PolarHBondContact O-N 3.14Å; L1037-H1040 VanDerWaalsContact O-N 3.07Å; L1037-E1370 HydrophobicContact CD1-CB 4.32Å; L1037-E1370 HydrophobicContact CD1-CG 3.87Å; L1037-E1370 HydrophobicContact CG-CG 4.33Å; L1037-E1370 WeakPolarHBondContact CG-OE1 3.28Å; L1037-E1370 PolarHBondContact N-OE1 3.01Å |
| 1038 | P | 68.6 | Low | 76.5 | Confident | 58.4 Ų | 58.4 | 35.6 Ų | 35.6 | 38% | 0.379 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -13.4 | -178.9 | -5.1 | 7.3 | 0 | 0 | 0 | 113.9 | I466 Q469 G1036 H1040 F1041 Y1219 L1223 | I466-P1038 HydrophobicContact CG2-CB 4.18Å; I466-P1038 HydrophobicContact CG2-CG 3.55Å; Q469-P1038 HydrophobicContact CB-CG 4.33Å; G1036-P1038 WeakPolarHBondContact O-CD 3.19Å; P1038-H1040 VanDerWaalsContact C-N 3.33Å; P1038-F1041 WeakPolarHBondContact O-CD1 3.42Å; P1038-Y1219 VanDerWaalsContact CB-OH 3.29Å; P1038-Y1219 WeakPolarHBondContact CB-OH 3.32Å; P1038-L1223 HydrophobicContact CB-CD1 4.33Å; P1038-L1223 HydrophobicContact CB-CD2 3.76Å; P1038-L1223 VanDerWaalsContact CB-CD2 3.47Å; P1038-L1223 HydrophobicContact CG-CD2 3.74Å |
| 1039 | G | 79.1 | Confident | 77.6 | Confident | 3 Ų | 3 | 34.9 Ų | 34.9 | 3% | 0.031 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.8 | -6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | L1037 F1041 L1042 | L1037-G1039 PolarHBondContact O-N 3.17Å; L1037-G1039 VanDerWaalsContact O-N 3.1Å; G1039-F1041 VanDerWaalsContact C-N 3.25Å; G1039-F1041 PolarHBondContact O-N 3.1Å; G1039-F1041 VanDerWaalsContact O-N 3.13Å; G1039-L1042 VanDerWaalsContact O-CB 3.29Å; G1039-L1042 WeakPolarHBondContact O-CB 3.39Å; G1039-L1042 WeakPolarHBondContact O-CG 3.27Å; G1039-L1042 PolarHBondContact O-N 3.13Å |
| 1040 | H | 81 | Confident | 78.7 | Confident | 15.6 Ų | 15.6 | 30.6 Ų | 30.6 | 7% | 0.072 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -57.8 | -29.7 | -172.2 | -170.8 | -77.2 | 0 | 0 | 0 | 114 | Y1035 L1037 P1038 L1042 L1043 E1044 S1368 E1370 | Y1035-H1040 HydrophobicContact CD1-CB 4.27Å; Y1035-H1040 AromaticContact CD1-CD2 3.7Å; Y1035-H1040 AromaticContact CD1-CE1 3.33Å; Y1035-H1040 VanDerWaalsContact CD1-CE1 3.41Å; Y1035-H1040 WeakPolarHBondContact CD1-CE1 3.23Å; Y1035-H1040 AromaticContact CD1-CG 3.58Å; Y1035-H1040 VanDerWaalsContact CD1-CG 3.47Å; Y1035-H1040 AromaticContact CD1-ND1 3.18Å; Y1035-H1040 VanDerWaalsContact CD1-ND1 3.28Å; Y1035-H1040 WeakPolarHBondContact CD1-ND1 3.32Å; Y1035-H1040 AromaticContact CD1-NE2 3.74Å; Y1035-H1040 AromaticContact CE1-CE1 3.25Å; Y1035-H1040 WeakPolarHBondContact CE1-CE1 3.26Å; Y1035-H1040 AromaticContact CE1-CG 3.89Å; Y1035-H1040 AromaticContact CE1-ND1 3.42Å; Y1035-H1040 VanDerWaalsContact CE1-ND1 3.31Å; Y1035-H1040 WeakPolarHBondContact CE1-ND1 3.38Å; Y1035-H1040 AromaticContact CE1-NE2 3.86Å; Y1035-H1040 HydrophobicContact CG-CB 4.25Å; Y1035-H1040 AromaticContact CG-CG 3.92Å; Y1035-H1040 AromaticContact CG-ND1 3.75Å; L1037-H1040 VanDerWaalsContact O-CB 3.29Å; L1037-H1040 WeakPolarHBondContact O-CB 3.35Å; L1037-H1040 PolarHBondContact O-N 3.14Å; L1037-H1040 VanDerWaalsContact O-N 3.07Å; P1038-H1040 VanDerWaalsContact C-N 3.33Å; H1040-L1042 PolarHBondContact O-N 3.07Å; H1040-L1043 WeakPolarHBondContact O-CB 3.34Å; H1040-L1043 PolarHBondContact O-N 3.19Å; H1040-E1044 IonicContact CE1-OE1 3Å; H1040-E1044 PolarHBondContact CE1-OE1 3.25Å; H1040-E1044 VanDerWaalsContact CE1-OE1 3.29Å; H1040-E1044 IonicContact ND1-OE1 2.72Å; H1040-E1044 IonicContact NE2-OE1 3.12Å; H1040-E1044 PolarHBondContact O-N 3.16Å; H1040-E1044 VanDerWaalsContact O-N 3.17Å; H1040-S1368 PolarHBondContact NE2-O 2.85Å; H1040-E1370 IonicContact CD2-OE1 3.81Å |
| 1041 | F | 86.2 | Confident | 79.6 | Confident | 4 Ų | 4 | 27.4 Ų | 27.4 | 2% | 0.018 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -59.4 | -29.4 | 176.3 | 78.9 | -87.2 | 0 | 0 | 0 | 113.1 | P1038 G1039 L1043 E1044 L1045 L1087 S1130 V1131 I1134 I1220 L1223 | P1038-F1041 WeakPolarHBondContact O-CD1 3.42Å; G1039-F1041 VanDerWaalsContact C-N 3.25Å; G1039-F1041 PolarHBondContact O-N 3.1Å; G1039-F1041 VanDerWaalsContact O-N 3.13Å; F1041-L1043 VanDerWaalsContact C-N 3.33Å; F1041-L1043 PolarHBondContact O-N 3.27Å; F1041-E1044 PolarHBondContact O-N 2.99Å; F1041-L1045 HydrophobicContact CD2-CD1 3.85Å; F1041-L1045 HydrophobicContact CE2-CD1 4.22Å; F1041-L1045 VanDerWaalsContact O-CG 3.29Å; F1041-L1045 WeakPolarHBondContact O-CG 3.33Å; F1041-L1045 PolarHBondContact O-N 3.32Å; F1041-L1087 HydrophobicContact CE2-CD2 3.93Å; F1041-L1087 HydrophobicContact CZ-CD2 4.36Å; F1041-S1130 VanDerWaalsContact CA-OG 3.27Å; F1041-S1130 WeakPolarHBondContact CA-OG 3.39Å; F1041-S1130 VanDerWaalsContact CB-OG 3.27Å; F1041-S1130 WeakPolarHBondContact CB-OG 3.42Å; F1041-V1131 HydrophobicContact CB-CG1 3.94Å; F1041-V1131 HydrophobicContact CD2-CG1 4.28Å; F1041-I1134 HydrophobicContact CD1-CG1 4.17Å; F1041-I1134 HydrophobicContact CD1-CG2 4.16Å; F1041-I1134 HydrophobicContact CD2-CD1 4.02Å; F1041-I1134 HydrophobicContact CD2-CG1 4.27Å; F1041-I1134 HydrophobicContact CE1-CD1 4.31Å; F1041-I1134 HydrophobicContact CE1-CG1 4.26Å; F1041-I1134 HydrophobicContact CE1-CG2 3.72Å; F1041-I1134 HydrophobicContact CE2-CD1 3.44Å; F1041-I1134 VanDerWaalsContact CE2-CD1 3.48Å; F1041-I1134 HydrophobicContact CE2-CG1 4.14Å; F1041-I1134 HydrophobicContact CG-CD1 4.48Å; F1041-I1134 HydrophobicContact CG-CG1 4.14Å; F1041-I1134 HydrophobicContact CZ-CD1 3.61Å; F1041-I1134 VanDerWaalsContact CZ-CD1 3.48Å; F1041-I1134 HydrophobicContact CZ-CG1 4.21Å; F1041-I1134 HydrophobicContact CZ-CG2 4.09Å; F1041-I1220 HydrophobicContact CZ-CD1 4.15Å; F1041-L1223 HydrophobicContact CE1-CD1 4.06Å |
| 1042 | L | 91.2 | Very high | 80.7 | Confident | 1.4 Ų | 1.4 | 29.3 Ų | 29.3 | 1% | 0.007 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -64.3 | -41.1 | 175.3 | -63.2 | 169 | 0 | 0 | 0 | 110.9 | G1039 H1040 L1045 I1046 L1064 L1223 I1224 T1227 L1228 | G1039-L1042 VanDerWaalsContact O-CB 3.29Å; G1039-L1042 WeakPolarHBondContact O-CB 3.39Å; G1039-L1042 WeakPolarHBondContact O-CG 3.27Å; G1039-L1042 PolarHBondContact O-N 3.13Å; H1040-L1042 PolarHBondContact O-N 3.07Å; L1042-L1045 PolarHBondContact O-N 3.22Å; L1042-I1046 WeakPolarHBondContact O-CB 3.33Å; L1042-I1046 WeakPolarHBondContact O-CD1 3.39Å; L1042-I1046 VanDerWaalsContact O-CG1 3.26Å; L1042-I1046 WeakPolarHBondContact O-CG1 3.37Å; L1042-I1046 PolarHBondContact O-N 3.12Å; L1042-L1064 HydrophobicContact CD2-CD1 3.91Å; L1042-L1223 HydrophobicContact CD1-CB 4.48Å; L1042-I1224 HydrophobicContact CD1-CG1 3.74Å; L1042-I1224 HydrophobicContact CD2-CG1 4.04Å; L1042-T1227 HydrophobicContact CB-CG2 4.4Å; L1042-T1227 HydrophobicContact CD1-CG2 4.34Å; L1042-L1228 HydrophobicContact CB-CD2 4.23Å; L1042-L1228 HydrophobicContact CD1-CD2 4.46Å; L1042-L1228 HydrophobicContact CD1-CG 4.45Å |
| 1043 | L | 90.1 | Very high | 81.8 | Confident | 21.2 Ų | 21.2 | 29.7 Ų | 29.7 | 11% | 0.111 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -67 | -39.9 | 178.2 | -59.4 | -179.9 | 0 | 0 | 0 | 111.2 | H1040 F1041 I1046 Q1047 T1227 L1232 L1348 P1349 | H1040-L1043 WeakPolarHBondContact O-CB 3.34Å; H1040-L1043 PolarHBondContact O-N 3.19Å; F1041-L1043 VanDerWaalsContact C-N 3.33Å; F1041-L1043 PolarHBondContact O-N 3.27Å; L1043-I1046 PolarHBondContact O-N 3.03Å; L1043-Q1047 VanDerWaalsContact O-CB 3.31Å; L1043-Q1047 WeakPolarHBondContact O-CB 3.25Å; L1043-Q1047 PolarHBondContact O-N 3.27Å; L1043-T1227 HydrophobicContact CD1-CG2 4.41Å; L1043-T1227 HydrophobicContact CD2-CG2 4.02Å; L1043-T1227 HydrophobicContact CG-CG2 4.01Å; L1043-L1232 HydrophobicContact CD2-CD1 3.91Å; L1043-L1232 HydrophobicContact CD2-CD2 4.32Å; L1043-L1348 HydrophobicContact CB-CD1 4.41Å; L1043-L1348 WeakPolarHBondContact O-CD1 3.33Å; L1043-P1349 HydrophobicContact CD2-CG 4.35Å |
| 1044 | E | 87.6 | Confident | 83.1 | Confident | 4.4 Ų | 4.4 | 24.9 Ų | 24.9 | 2% | 0.021 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -65 | -39.1 | 174.6 | -67.7 | -72.6 | 168.3 | 0 | 0 | 112.3 | Y1035 H1040 F1041 Q1047 N1048 G1127 R1369 | Y1035-E1044 PolarHBondContact OH-OE1 3.26Å; H1040-E1044 IonicContact CE1-OE1 3Å; H1040-E1044 PolarHBondContact CE1-OE1 3.25Å; H1040-E1044 VanDerWaalsContact CE1-OE1 3.29Å; H1040-E1044 IonicContact ND1-OE1 2.72Å; H1040-E1044 IonicContact NE2-OE1 3.12Å; H1040-E1044 PolarHBondContact O-N 3.16Å; H1040-E1044 VanDerWaalsContact O-N 3.17Å; F1041-E1044 PolarHBondContact O-N 2.99Å; E1044-Q1047 WeakPolarHBondContact O-CB 3.34Å; E1044-Q1047 PolarHBondContact O-N 3.22Å; E1044-Q1047 PolarHBondContact OE2-OE1 3.01Å; E1044-N1048 VanDerWaalsContact O-CG 3.26Å; E1044-N1048 PolarHBondContact O-N 3.17Å; E1044-N1048 PolarHBondContact O-ND2 2.81Å; E1044-N1048 VanDerWaalsContact O-ND2 3.14Å; E1044-G1127 VanDerWaalsContact CB-O 3.31Å; E1044-G1127 WeakPolarHBondContact CB-O 3.11Å; E1044-G1127 VanDerWaalsContact CG-O 3.28Å; E1044-G1127 WeakPolarHBondContact CG-O 3.45Å; E1044-G1127 WeakPolarHBondContact OE1-CA 3.03Å; E1044-G1127 VanDerWaalsContact OE2-CA 3.28Å; E1044-G1127 WeakPolarHBondContact OE2-CA 3.29Å; E1044-R1369 VanDerWaalsContact CD-CZ 3.46Å; E1044-R1369 VanDerWaalsContact CD-NH1 3.34Å; E1044-R1369 VanDerWaalsContact OE1-CD 3.28Å; E1044-R1369 WeakPolarHBondContact OE1-CD 3.31Å; E1044-R1369 IonicContact OE1-CZ 3.28Å; E1044-R1369 VanDerWaalsContact OE1-CZ 3.3Å; E1044-R1369 IonicContact OE1-NE 3.31Å; E1044-R1369 PolarHBondContact OE1-NE 3.03Å; E1044-R1369 IonicContact OE1-NH1 3.43Å; E1044-R1369 PolarHBondContact OE1-NH1 2.96Å; E1044-R1369 VanDerWaalsContact OE1-NH1 3.15Å; E1044-R1369 IonicContact OE1-NH2 3.01Å; E1044-R1369 PolarHBondContact OE1-NH2 2.89Å; E1044-R1369 IonicContact OE2-CZ 3.16Å; E1044-R1369 IonicContact OE2-NH1 3.36Å; E1044-R1369 PolarHBondContact OE2-NH1 3.08Å; E1044-R1369 IonicContact OE2-NH2 3.36Å; E1044-R1369 PolarHBondContact OE2-NH2 3.06Å |
| 1045 | L | 91.8 | Very high | 84.5 | Confident | 5.4 Ų | 5.4 | 24.2 Ų | 24.2 | 3% | 0.028 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -64.9 | -44.4 | 174.4 | -72.3 | 169.9 | 0 | 0 | 0 | 111.7 | F1041 L1042 Q1047 N1048 A1049 V1089 F1128 V1131 F1196 L1198 | F1041-L1045 HydrophobicContact CD2-CD1 3.85Å; F1041-L1045 HydrophobicContact CE2-CD1 4.22Å; F1041-L1045 VanDerWaalsContact O-CG 3.29Å; F1041-L1045 WeakPolarHBondContact O-CG 3.33Å; F1041-L1045 PolarHBondContact O-N 3.32Å; L1042-L1045 PolarHBondContact O-N 3.22Å; L1045-Q1047 VanDerWaalsContact C-N 3.32Å; L1045-Q1047 PolarHBondContact O-N 3Å; L1045-N1048 PolarHBondContact O-N 3.18Å; L1045-A1049 WeakPolarHBondContact O-CB 3.33Å; L1045-A1049 PolarHBondContact O-N 2.96Å; L1045-A1049 VanDerWaalsContact O-N 3.08Å; L1045-V1089 HydrophobicContact CD1-CG1 4.44Å; L1045-V1089 HydrophobicContact CD1-CG2 3.96Å; L1045-V1089 HydrophobicContact CD2-CG1 4.4Å; L1045-F1128 HydrophobicContact CD2-CE2 4.38Å; L1045-V1131 HydrophobicContact CD1-CG1 4.39Å; L1045-V1131 HydrophobicContact CD2-CG1 4.15Å; L1045-V1131 HydrophobicContact CG-CG1 4.37Å; L1045-F1196 HydrophobicContact CD2-CD1 3.81Å; L1045-F1196 HydrophobicContact CD2-CD2 3.8Å; L1045-F1196 HydrophobicContact CD2-CE1 3.4Å; L1045-F1196 HydrophobicContact CD2-CE2 3.92Å; L1045-F1196 HydrophobicContact CD2-CZ 4.09Å; L1045-L1198 HydrophobicContact CD1-CD1 4.27Å |
| 1046 | I | 93.5 | Very high | 85.5 | Confident | 1.4 Ų | 1.4 | 31.8 Ų | 31.8 | 1% | 0.007 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -62.8 | -40.5 | 175.8 | -70.7 | 165 | 0 | 0 | 0 | 110.8 | L1042 L1043 N1048 A1049 D1050 L1062 L1228 L1232 L1236 L1239 L1242 L1348 | L1042-I1046 WeakPolarHBondContact O-CB 3.33Å; L1042-I1046 WeakPolarHBondContact O-CD1 3.39Å; L1042-I1046 VanDerWaalsContact O-CG1 3.26Å; L1042-I1046 WeakPolarHBondContact O-CG1 3.37Å; L1042-I1046 PolarHBondContact O-N 3.12Å; L1043-I1046 PolarHBondContact O-N 3.03Å; I1046-N1048 PolarHBondContact O-N 2.9Å; I1046-A1049 PolarHBondContact O-N 3.1Å; I1046-D1050 WeakPolarHBondContact O-CB 3.32Å; I1046-D1050 PolarHBondContact O-N 3.07Å; I1046-L1062 HydrophobicContact CB-CD2 4.4Å; I1046-L1062 HydrophobicContact CG1-CD2 3.66Å; I1046-L1228 HydrophobicContact CD1-CD1 4.32Å; I1046-L1228 HydrophobicContact CD1-CD2 3.51Å; I1046-L1228 VanDerWaalsContact CD1-CD2 3.41Å; I1046-L1232 HydrophobicContact CD1-CD2 3.69Å; I1046-L1236 HydrophobicContact CG2-CD1 4.15Å; I1046-L1236 HydrophobicContact CG2-CD2 4.12Å; I1046-L1239 HydrophobicContact CG2-CD1 3.99Å; I1046-L1242 HydrophobicContact CD1-CD1 3.9Å; I1046-L1242 HydrophobicContact CD1-CD2 4.41Å; I1046-L1242 HydrophobicContact CG1-CD1 4.4Å; I1046-L1242 HydrophobicContact CG1-CD2 4.27Å; I1046-L1348 HydrophobicContact CG2-CD2 4.11Å |
| 1047 | Q | 89.1 | Confident | 86.8 | Confident | 7.4 Ų | 7.4 | 36.7 Ų | 36.7 | 4% | 0.035 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -61.3 | -45.1 | 175.7 | -163.1 | 178.4 | 16.5 | 0 | 0 | 112.5 | L1043 E1044 L1045 A1049 D1050 D1051 I1121 G1122 L1348 R1369 | L1043-Q1047 VanDerWaalsContact O-CB 3.31Å; L1043-Q1047 WeakPolarHBondContact O-CB 3.25Å; L1043-Q1047 PolarHBondContact O-N 3.27Å; E1044-Q1047 WeakPolarHBondContact O-CB 3.34Å; E1044-Q1047 PolarHBondContact O-N 3.22Å; E1044-Q1047 PolarHBondContact OE2-OE1 3.01Å; L1045-Q1047 VanDerWaalsContact C-N 3.32Å; L1045-Q1047 PolarHBondContact O-N 3Å; Q1047-A1049 VanDerWaalsContact C-N 3.3Å; Q1047-A1049 PolarHBondContact O-N 3.36Å; Q1047-D1050 PolarHBondContact O-N 3.19Å; Q1047-D1051 PolarHBondContact O-N 3.12Å; Q1047-D1051 VanDerWaalsContact O-N 3.07Å; Q1047-I1121 HydrophobicContact CG-CB 3.93Å; Q1047-I1121 HydrophobicContact CG-CD1 4.31Å; Q1047-I1121 HydrophobicContact CG-CG2 4.15Å; Q1047-I1121 PolarHBondContact NE2-O 2.87Å; Q1047-G1122 VanDerWaalsContact NE2-CA 3.34Å; Q1047-G1122 VanDerWaalsContact NE2-N 3.16Å; Q1047-L1348 HydrophobicContact CB-CD1 3.66Å; Q1047-L1348 HydrophobicContact CG-CD1 3.96Å; Q1047-R1369 VanDerWaalsContact CD-NH1 3.35Å; Q1047-R1369 VanDerWaalsContact CD-NH2 3.3Å |
| 1048 | N | 88.7 | Confident | 87.8 | Confident | 38.2 Ų | 38.2 | 36.2 Ų | 36.2 | 20% | 0.204 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -65.1 | -37.4 | 178.9 | -72.8 | -40.5 | 0 | 0 | 0 | 111.4 | I412 E1044 L1045 I1046 D1051 N1052 K1113 | I412-N1048 HydrophobicContact CD1-CB 4.23Å; E1044-N1048 VanDerWaalsContact O-CG 3.26Å; E1044-N1048 PolarHBondContact O-N 3.17Å; E1044-N1048 PolarHBondContact O-ND2 2.81Å; E1044-N1048 VanDerWaalsContact O-ND2 3.14Å; L1045-N1048 PolarHBondContact O-N 3.18Å; I1046-N1048 PolarHBondContact O-N 2.9Å; N1048-D1051 PolarHBondContact O-N 2.99Å; N1048-N1052 PolarHBondContact O-ND2 3.06Å; N1048-N1052 PolarHBondContact O-OD1 3.1Å; N1048-K1113 PolarHBondContact OD1-NZ 3Å |
| 1049 | A | 92.7 | Very high | 89 | Confident | 3.8 Ų | 3.8 | 35.8 Ų | 35.8 | 3% | 0.031 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -67.7 | -42.6 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | L1045 I1046 Q1047 D1051 N1052 Y1054 L1062 N1091 L1239 | L1045-A1049 WeakPolarHBondContact O-CB 3.33Å; L1045-A1049 PolarHBondContact O-N 2.96Å; L1045-A1049 VanDerWaalsContact O-N 3.08Å; I1046-A1049 PolarHBondContact O-N 3.1Å; Q1047-A1049 VanDerWaalsContact C-N 3.3Å; Q1047-A1049 PolarHBondContact O-N 3.36Å; A1049-D1051 VanDerWaalsContact C-N 3.31Å; A1049-D1051 PolarHBondContact O-N 3.11Å; A1049-N1052 VanDerWaalsContact O-CB 3.25Å; A1049-N1052 WeakPolarHBondContact O-CB 3.3Å; A1049-N1052 PolarHBondContact O-N 3.15Å; A1049-Y1054 WeakPolarHBondContact O-CE2 3.43Å; A1049-Y1054 PolarHBondContact O-OH 3.1Å; A1049-L1062 HydrophobicContact CB-CB 4.42Å; A1049-L1062 HydrophobicContact CB-CD1 3.89Å; A1049-L1062 HydrophobicContact CB-CD2 4.1Å; A1049-L1062 HydrophobicContact CB-CG 4.37Å; A1049-N1091 WeakPolarHBondContact CB-ND2 3.28Å; A1049-L1239 HydrophobicContact CB-CD1 3.89Å; A1049-L1239 HydrophobicContact CB-CD2 4.38Å; A1049-L1239 HydrophobicContact CB-CG 4.47Å |
| 1050 | D | 93.2 | Very high | 89.8 | Confident | 0.4 Ų | 0.4 | 36.1 Ų | 36.1 | 0% | 0.002 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -65.7 | -25.4 | 178.5 | -163.9 | 59.5 | 0 | 0 | 0 | 113.8 | I1046 Q1047 N1052 I1121 L1236 R1237 R1238 L1239 | I1046-D1050 WeakPolarHBondContact O-CB 3.32Å; I1046-D1050 PolarHBondContact O-N 3.07Å; Q1047-D1050 PolarHBondContact O-N 3.19Å; D1050-N1052 VanDerWaalsContact C-N 3.29Å; D1050-N1052 PolarHBondContact O-N 3.03Å; D1050-I1121 HydrophobicContact CB-CD1 4.48Å; D1050-I1121 VanDerWaalsContact OD2-CD1 3.28Å; D1050-I1121 WeakPolarHBondContact OD2-CD1 3.19Å; D1050-L1236 HydrophobicContact CB-CD2 4.29Å; D1050-R1237 VanDerWaalsContact CG-N 3.31Å; D1050-R1237 PolarHBondContact OD1-N 3.08Å; D1050-R1237 WeakPolarHBondContact OD2-CB 3.4Å; D1050-R1237 PolarHBondContact OD2-N 3.1Å; D1050-R1237 IonicContact OD2-NE 3.89Å; D1050-R1238 WeakPolarHBondContact O-CB 3.29Å; D1050-R1238 VanDerWaalsContact O-CD 3.25Å; D1050-R1238 WeakPolarHBondContact O-CD 3.41Å; D1050-R1238 VanDerWaalsContact O-CG 3.31Å; D1050-R1238 WeakPolarHBondContact O-CG 3.31Å; D1050-R1238 WeakPolarHBondContact OD1-CA 3.29Å; D1050-R1238 PolarHBondContact OD1-N 2.85Å; D1050-L1239 HydrophobicContact CB-CD1 4.07Å; D1050-L1239 HydrophobicContact CB-CG 4.18Å; D1050-L1239 PolarHBondContact OD1-N 3.16Å |
| 1051 | D | 88.5 | Confident | 90.6 | Very high | 8.2 Ų | 8.2 | 35.7 Ų | 35.7 | 4% | 0.044 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77 | -10.4 | 174 | -79.6 | -16.1 | 0 | 0 | 0 | 113.6 | Q1047 N1048 A1049 K1113 K1120 I1121 G1122 R1237 R1238 | Q1047-D1051 PolarHBondContact O-N 3.12Å; Q1047-D1051 VanDerWaalsContact O-N 3.07Å; N1048-D1051 PolarHBondContact O-N 2.99Å; A1049-D1051 VanDerWaalsContact C-N 3.31Å; A1049-D1051 PolarHBondContact O-N 3.11Å; D1051-K1113 WeakPolarHBondContact OD2-CE 3.25Å; D1051-K1113 IonicContact OD2-NZ 3.07Å; D1051-K1113 PolarHBondContact OD2-NZ 3.09Å; D1051-K1120 HydrophobicContact CB-CG 4.34Å; D1051-K1120 VanDerWaalsContact OD1-CA 3.28Å; D1051-K1120 WeakPolarHBondContact OD1-CA 3.38Å; D1051-I1121 PolarHBondContact OD1-N 3.1Å; D1051-I1121 PolarHBondContact OD2-N 2.96Å; D1051-G1122 PolarHBondContact OD2-N 3.04Å; D1051-G1122 VanDerWaalsContact OD2-N 3.11Å; D1051-R1237 IonicContact OD1-NH2 2.7Å; D1051-R1237 PolarHBondContact OD1-NH2 3.43Å; D1051-R1238 PolarHBondContact O-NH1 2.65Å |
| 1052 | N | 90.8 | Very high | 91.1 | Very high | 45 Ų | 45 | 35.7 Ų | 35.7 | 24% | 0.241 | 20% | 0.199 | C | C | . | . | S | Bend | trans | -79.6 | 165.3 | -176.1 | -72.2 | -20.3 | 0 | 0 | 0 | 113.8 | N1048 A1049 D1050 Y1054 N1091 E1093 R1238 | N1048-N1052 PolarHBondContact O-ND2 3.06Å; N1048-N1052 PolarHBondContact O-OD1 3.1Å; A1049-N1052 VanDerWaalsContact O-CB 3.25Å; A1049-N1052 WeakPolarHBondContact O-CB 3.3Å; A1049-N1052 PolarHBondContact O-N 3.15Å; D1050-N1052 VanDerWaalsContact C-N 3.29Å; D1050-N1052 PolarHBondContact O-N 3.03Å; N1052-Y1054 HydrophobicContact CB-CE2 4.06Å; N1052-Y1054 WeakPolarHBondContact O-CD2 3.3Å; N1052-Y1054 VanDerWaalsContact O-CE2 3.29Å; N1052-Y1054 WeakPolarHBondContact O-CE2 3.34Å; N1052-N1091 PolarHBondContact ND2-ND2 2.87Å; N1052-N1091 PolarHBondContact ND2-OD1 3.28Å; N1052-N1091 VanDerWaalsContact ND2-OD1 3.1Å; N1052-E1093 HydrophobicContact CB-CB 3.65Å; N1052-E1093 HydrophobicContact CB-CG 4.16Å; N1052-E1093 VanDerWaalsContact CG-CD 3.43Å; N1052-E1093 WeakPolarHBondContact ND2-CG 3.44Å; N1052-E1093 PolarHBondContact ND2-OE1 3.34Å; N1052-E1093 PolarHBondContact ND2-OE2 3.12Å; N1052-R1238 VanDerWaalsContact C-NH1 3.25Å; N1052-R1238 WeakPolarHBondContact O-CD 3.39Å; N1052-R1238 PolarHBondContact O-NE 2.73Å; N1052-R1238 PolarHBondContact O-NH1 2.99Å |
| 1053 | T | 90.5 | Very high | 91.3 | Very high | 75.2 Ų | 75.2 | 36.8 Ų | 36.8 | 46% | 0.461 | 20% | 0.204 | S | C | . | . | trans | -101.2 | 136.2 | 177.5 | -40.9 | 0 | 0 | 0 | 0 | 110.7 | E1093 S1094 R1238 | T1053-E1093 CarbonylContact O-C 3.55Å; T1053-E1093 VanDerWaalsContact O-CA 3.3Å; T1053-E1093 WeakPolarHBondContact O-CA 3.29Å; T1053-E1093 VanDerWaalsContact O-CB 3.27Å; T1053-E1093 WeakPolarHBondContact O-CB 3.39Å; T1053-S1094 PolarHBondContact O-N 3.04Å; T1053-S1094 PolarHBondContact O-OG 3.13Å; T1053-S1094 VanDerWaalsContact O-OG 3.12Å; T1053-S1094 PolarHBondContact OG1-OG 3.35Å; T1053-R1238 PolarHBondContact OG1-NH1 3.04Å | ||
| 1054 | Y | 93.5 | Very high | 91.5 | Very high | 28.6 Ų | 28.6 | 36.1 Ų | 36.1 | 11% | 0.112 | 20% | 0.2 | C | C | . | . | trans | -121.2 | 155.5 | -175.8 | -62.3 | -88.8 | 0 | 0 | 0 | 110.7 | A1049 N1052 P1060 N1091 N1092 E1093 R1238 L1239 | A1049-Y1054 WeakPolarHBondContact O-CE2 3.43Å; A1049-Y1054 PolarHBondContact O-OH 3.1Å; N1052-Y1054 HydrophobicContact CB-CE2 4.06Å; N1052-Y1054 WeakPolarHBondContact O-CD2 3.3Å; N1052-Y1054 VanDerWaalsContact O-CE2 3.29Å; N1052-Y1054 WeakPolarHBondContact O-CE2 3.34Å; Y1054-P1060 HydrophobicContact CD1-CB 3.71Å; Y1054-P1060 HydrophobicContact CD1-CG 4.16Å; Y1054-P1060 HydrophobicContact CD2-CB 3.72Å; Y1054-P1060 HydrophobicContact CD2-CG 3.95Å; Y1054-P1060 HydrophobicContact CE1-CB 3.91Å; Y1054-P1060 HydrophobicContact CE2-CB 3.91Å; Y1054-P1060 HydrophobicContact CG-CB 3.62Å; Y1054-P1060 HydrophobicContact CG-CG 3.7Å; Y1054-N1091 WeakPolarHBondContact CE1-OD1 3.46Å; Y1054-N1091 VanDerWaalsContact OH-CG 3.28Å; Y1054-N1091 PolarHBondContact OH-ND2 3.21Å; Y1054-N1091 PolarHBondContact OH-OD1 3.21Å; Y1054-N1091 VanDerWaalsContact OH-OD1 3.05Å; Y1054-N1092 WeakPolarHBondContact CD1-OD1 3.4Å; Y1054-N1092 VanDerWaalsContact CE1-OD1 3.29Å; Y1054-N1092 WeakPolarHBondContact CE1-OD1 3.32Å; Y1054-E1093 HydrophobicContact CD1-CB 4.25Å; Y1054-E1093 HydrophobicContact CE1-CB 3.91Å; Y1054-R1238 HydrophobicContact CD2-CB 4.17Å; Y1054-R1238 HydrophobicContact CE2-CB 4.09Å; Y1054-L1239 WeakPolarHBondContact OH-CD2 3.47Å | ||
| 1055 | G | 88.3 | Confident | 91.8 | Very high | 25.2 Ų | 25.2 | 37 Ų | 37 | 26% | 0.26 | 20% | 0.204 | S | C | . | . | trans | -66.9 | 150.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112 | N1057 D1058 | G1055-N1057 PolarHBondContact O-N 3.12Å; G1055-N1057 VanDerWaalsContact O-N 3.12Å; G1055-D1058 VanDerWaalsContact CA-OD2 3.24Å; G1055-D1058 WeakPolarHBondContact CA-OD2 3.27Å; G1055-D1058 PolarHBondContact N-OD2 3.18Å; G1055-D1058 PolarHBondContact O-N 3.12Å; G1055-D1058 VanDerWaalsContact O-N 3.13Å | ||
| 1056 | I | 84.7 | Confident | 91.7 | Very high | 174 Ų | 174 | 37 Ų | 37 | 89% | 0.892 | 20% | 0.204 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | -30.9 | -174.9 | -63.1 | 168.3 | 0 | 0 | 0 | 112.5 | ||
| 1057 | N | 86.4 | Confident | 91.3 | Very high | 154 Ų | 154 | 37.2 Ų | 37.2 | 82% | 0.824 | 21% | 0.206 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -100.7 | -5.6 | -178 | -63 | -20.5 | 0 | 0 | 0 | 113.3 | G1055 | G1055-N1057 PolarHBondContact O-N 3.12Å; G1055-N1057 VanDerWaalsContact O-N 3.12Å |
| 1058 | D | 89.3 | Confident | 90.6 | Very high | 85.8 Ų | 85.8 | 39.7 Ų | 39.7 | 46% | 0.459 | 22% | 0.222 | S | C | . | . | S | Bend | trans | -83.8 | 143.3 | -179.5 | -63 | -46.8 | 0 | 0 | 0 | 109.7 | G1055 P1060 | G1055-D1058 VanDerWaalsContact CA-OD2 3.24Å; G1055-D1058 WeakPolarHBondContact CA-OD2 3.27Å; G1055-D1058 PolarHBondContact N-OD2 3.18Å; G1055-D1058 PolarHBondContact O-N 3.12Å; G1055-D1058 VanDerWaalsContact O-N 3.13Å; D1058-P1060 VanDerWaalsContact O-CD 3.27Å; D1058-P1060 WeakPolarHBondContact O-CD 3.25Å |
| 1059 | T | 93 | Very high | 89.5 | Confident | 49.2 Ų | 49.2 | 39.2 Ų | 39.2 | 30% | 0.302 | 22% | 0.219 | S | C | . | . | trans | -81.2 | 115.3 | 164.5 | -58.3 | 0 | 0 | 0 | 0 | 107.7 | T1061 N1092 Q1240 C1241 | T1059-T1061 PolarHBondContact O-N 3.08Å; T1059-T1061 VanDerWaalsContact O-N 3.09Å; T1059-T1061 PolarHBondContact O-OG1 3.29Å; T1059-T1061 VanDerWaalsContact O-OG1 3.05Å; T1059-N1092 PolarHBondContact O-ND2 3.18Å; T1059-Q1240 HydrophobicContact CG2-CB 4Å; T1059-C1241 HydrophobicContact CG2-CB 4.12Å | ||
| 1060 | P | 96.1 | Very high | 87.8 | Confident | 9.6 Ų | 9.6 | 42.3 Ų | 42.3 | 6% | 0.062 | 24% | 0.24 | C | C | . | . | trans | -61.6 | 115 | 178.9 | -27.7 | 40.2 | 0 | 0 | 0 | 111 | Y1054 D1058 R1238 L1239 Q1240 C1241 | Y1054-P1060 HydrophobicContact CD1-CB 3.71Å; Y1054-P1060 HydrophobicContact CD1-CG 4.16Å; Y1054-P1060 HydrophobicContact CD2-CB 3.72Å; Y1054-P1060 HydrophobicContact CD2-CG 3.95Å; Y1054-P1060 HydrophobicContact CE1-CB 3.91Å; Y1054-P1060 HydrophobicContact CE2-CB 3.91Å; Y1054-P1060 HydrophobicContact CG-CB 3.62Å; Y1054-P1060 HydrophobicContact CG-CG 3.7Å; D1058-P1060 VanDerWaalsContact O-CD 3.27Å; D1058-P1060 WeakPolarHBondContact O-CD 3.25Å; P1060-R1238 VanDerWaalsContact CB-O 3.26Å; P1060-R1238 WeakPolarHBondContact CB-O 3.23Å; P1060-R1238 VanDerWaalsContact CG-O 3.3Å; P1060-R1238 WeakPolarHBondContact CG-O 3.3Å; P1060-L1239 HydrophobicContact CB-CD2 4.4Å; P1060-Q1240 HydrophobicContact CG-CG 4.48Å; P1060-Q1240 PolarHBondContact O-N 3.11Å; P1060-C1241 PolarHBondContact O-N 3.22Å | ||
| 1061 | T | 96.5 | Very high | 85.8 | Confident | 8 Ų | 8 | 44.1 Ų | 44.1 | 5% | 0.049 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 128.9 | -166 | -57.7 | 0 | 0 | 0 | 0 | 111.7 | T1059 N1091 N1092 C1241 R1243 | T1059-T1061 PolarHBondContact O-N 3.08Å; T1059-T1061 VanDerWaalsContact O-N 3.09Å; T1059-T1061 PolarHBondContact O-OG1 3.29Å; T1059-T1061 VanDerWaalsContact O-OG1 3.05Å; T1061-N1091 PolarHBondContact O-ND2 3.25Å; T1061-N1091 PolarHBondContact O-OD1 3.18Å; T1061-N1091 VanDerWaalsContact O-OD1 3.13Å; T1061-N1092 PolarHBondContact N-OD1 3.26Å; T1061-N1092 PolarHBondContact O-N 3.02Å; T1061-N1092 PolarHBondContact O-OD1 3.1Å; T1061-N1092 VanDerWaalsContact O-OD1 3.11Å; T1061-C1241 VanDerWaalsContact CA-O 3.31Å; T1061-C1241 WeakPolarHBondContact CA-O 3.4Å; T1061-C1241 HydrophobicContact CG2-CB 4.06Å; T1061-C1241 WeakPolarHBondContact OG1-CB 3.37Å; T1061-R1243 HydrophobicContact CG2-CG 4.46Å |
| 1062 | L | 97.1 | Very high | 83.8 | Confident | 4.2 Ų | 4.2 | 48 Ų | 48 | 2% | 0.022 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 127.6 | 165.8 | -174.3 | 71.1 | 0 | 0 | 0 | 109.5 | I1046 A1049 V1089 M1090 N1091 L1239 C1241 L1242 R1243 | I1046-L1062 HydrophobicContact CB-CD2 4.4Å; I1046-L1062 HydrophobicContact CG1-CD2 3.66Å; A1049-L1062 HydrophobicContact CB-CB 4.42Å; A1049-L1062 HydrophobicContact CB-CD1 3.89Å; A1049-L1062 HydrophobicContact CB-CD2 4.1Å; A1049-L1062 HydrophobicContact CB-CG 4.37Å; L1062-V1089 HydrophobicContact CD1-CG1 3.73Å; L1062-V1089 HydrophobicContact CG-CG1 4.43Å; L1062-M1090 WeakPolarHBondContact CA-O 3.31Å; L1062-N1091 HydrophobicContact CD1-CB 3.9Å; L1062-L1239 HydrophobicContact CB-CD1 4.38Å; L1062-L1239 HydrophobicContact CB-CD2 4.24Å; L1062-C1241 PolarHBondContact N-O 3.12Å; L1062-C1241 VanDerWaalsContact N-O 3.11Å; L1062-L1242 HydrophobicContact CB-CD2 3.74Å; L1062-L1242 HydrophobicContact CD2-CD2 4.18Å; L1062-L1242 HydrophobicContact CG-CD2 4.45Å; L1062-L1242 CarbonylContact O-C 3.57Å; L1062-L1242 WeakPolarHBondContact O-CA 3.36Å; L1062-R1243 PolarHBondContact O-N 3.14Å |
| 1063 | Q | 96 | Very high | 81.4 | Confident | 23.8 Ų | 23.8 | 51.4 Ų | 51.4 | 11% | 0.111 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 125.1 | 176.3 | -177.7 | 170.3 | -36.2 | 0 | 0 | 110.8 | M1090 W1191 R1243 | Q1063-M1090 HydrophobicContact CB-CB 4.43Å; Q1063-M1090 HydrophobicContact CB-CE 4.2Å; Q1063-M1090 HydrophobicContact CG-CE 3.83Å; Q1063-M1090 PolarHBondContact N-O 3.1Å; Q1063-M1090 PolarHBondContact O-N 3.06Å; Q1063-W1191 HydrophobicContact CB-CH2 3.93Å; Q1063-W1191 HydrophobicContact CB-CZ2 4.42Å; Q1063-R1243 CarbonylContact C-O 3.5Å; Q1063-R1243 WeakPolarHBondContact CA-O 3.37Å; Q1063-R1243 HydrophobicContact CB-CB 4.08Å; Q1063-R1243 HydrophobicContact CG-CB 3.89Å |
| 1064 | L | 95.1 | Very high | 78.9 | Confident | 5.6 Ų | 5.6 | 54.4 Ų | 54.4 | 3% | 0.029 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 120.4 | 170.3 | -59.5 | 176.8 | 0 | 0 | 0 | 108 | L1042 L1087 L1088 V1089 I1224 L1228 R1243 F1244 S1245 | L1042-L1064 HydrophobicContact CD2-CD1 3.91Å; L1064-L1087 HydrophobicContact CB-CD1 4.25Å; L1064-L1088 CarbonylContact C-O 3.52Å; L1064-L1088 WeakPolarHBondContact CA-O 3.35Å; L1064-V1089 HydrophobicContact CD2-CB 4.21Å; L1064-V1089 HydrophobicContact CD2-CG1 3.87Å; L1064-V1089 HydrophobicContact CD2-CG2 3.79Å; L1064-I1224 HydrophobicContact CB-CD1 4.44Å; L1064-I1224 HydrophobicContact CD1-CD1 4.1Å; L1064-I1224 HydrophobicContact CD1-CG1 4.29Å; L1064-L1228 HydrophobicContact CD1-CD1 3.84Å; L1064-R1243 PolarHBondContact N-O 3.14Å; L1064-F1244 HydrophobicContact CB-CD2 4.06Å; L1064-F1244 CarbonylContact O-C 3.45Å; L1064-F1244 VanDerWaalsContact O-CA 3.26Å; L1064-F1244 WeakPolarHBondContact O-CA 3.32Å; L1064-F1244 WeakPolarHBondContact O-CD2 3.27Å; L1064-S1245 PolarHBondContact O-N 3.05Å |
| 1065 | Q | 92.9 | Very high | 76.2 | Confident | 24 Ų | 24 | 62.5 Ų | 62.5 | 11% | 0.112 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 121.8 | 178.9 | 178.2 | 172.1 | -17.6 | 0 | 0 | 110.6 | S1067 L1087 L1088 M1090 N1186 E1187 S1245 | Q1065-S1067 PolarHBondContact O-N 3.47Å; Q1065-L1087 CarbonylContact O-C 3.22Å; Q1065-L1088 HydrophobicContact CB-CB 4.28Å; Q1065-L1088 HydrophobicContact CG-CD1 4.42Å; Q1065-L1088 PolarHBondContact N-O 3.26Å; Q1065-L1088 WeakPolarHBondContact O-CB 3.42Å; Q1065-L1088 PolarHBondContact O-N 3.04Å; Q1065-M1090 HydrophobicContact CB-CE 3.77Å; Q1065-M1090 HydrophobicContact CG-CE 4.37Å; Q1065-N1186 PolarHBondContact NE2-OD1 2.82Å; Q1065-E1187 PolarHBondContact NE2-O 3.3Å; Q1065-S1245 WeakPolarHBondContact CA-O 3.38Å; Q1065-S1245 WeakPolarHBondContact CB-OG 3.22Å; Q1065-S1245 WeakPolarHBondContact CG-OG 3.1Å |
| 1066 | L | 90.1 | Very high | 73.6 | Confident | 5.2 Ų | 5.2 | 66.1 Ų | 66.1 | 3% | 0.027 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 121.7 | 171.6 | -169.6 | 76.1 | 0 | 0 | 0 | 109.4 | F1085 L1200 A1217 I1220 F1244 S1245 S1246 | L1066-F1085 HydrophobicContact CD1-CB 4.34Å; L1066-F1085 HydrophobicContact CD2-CD1 4.06Å; L1066-F1085 HydrophobicContact CD2-CE1 4.11Å; L1066-F1085 HydrophobicContact CG-CD1 4.24Å; L1066-L1200 HydrophobicContact CD1-CD1 3.8Å; L1066-A1217 VanDerWaalsContact CD2-CA 3.47Å; L1066-A1217 HydrophobicContact CD2-CB 3.48Å; L1066-A1217 VanDerWaalsContact CD2-CB 3.44Å; L1066-I1220 HydrophobicContact CD1-CG2 4.5Å; L1066-F1244 HydrophobicContact CB-CE2 4.42Å; L1066-S1245 PolarHBondContact N-O 3.05Å; L1066-S1246 WeakPolarHBondContact CD2-OG 3.43Å |
| 1067 | S | 84.1 | Confident | 71.2 | Confident | 5.4 Ų | 5.4 | 65.3 Ų | 65.3 | 4% | 0.038 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 161.7 | -173.7 | -172.1 | 0 | 0 | 0 | 0 | 111.4 | Q1065 I1069 F1085 S1086 L1088 N1186 E1187 | Q1065-S1067 PolarHBondContact O-N 3.47Å; S1067-I1069 WeakPolarHBondContact OG-CG1 3.29Å; S1067-I1069 PolarHBondContact OG-N 3.12Å; S1067-I1069 VanDerWaalsContact OG-N 3.1Å; S1067-F1085 CarbonylContact O-C 3.58Å; S1067-F1085 VanDerWaalsContact O-CA 3.28Å; S1067-F1085 WeakPolarHBondContact O-CA 3.35Å; S1067-S1086 PolarHBondContact N-O 3.16Å; S1067-S1086 PolarHBondContact O-N 2.96Å; S1067-S1086 VanDerWaalsContact O-O 3.09Å; S1067-L1088 WeakPolarHBondContact OG-CD1 3.45Å; S1067-N1186 WeakPolarHBondContact CB-OD1 3.36Å; S1067-N1186 PolarHBondContact OG-ND2 3.24Å; S1067-N1186 PolarHBondContact OG-OD1 3.21Å; S1067-E1187 VanDerWaalsContact CB-OE2 3.25Å; S1067-E1187 WeakPolarHBondContact CB-OE2 3.45Å; S1067-E1187 PolarHBondContact OG-OE2 2.78Å |
| 1068 | T | 75.6 | Confident | 68.9 | Low | 61 Ų | 61 | 62.7 Ų | 62.7 | 37% | 0.374 | 35% | 0.352 | S | S | . | . | trans | -99.1 | 48.2 | 171.7 | 38.5 | 0 | 0 | 0 | 0 | 111.2 | S1070 Q1083 K1084 F1085 N1186 E1248 | T1068-S1070 PolarHBondContact O-N 3.44Å; T1068-Q1083 HydrophobicContact CG2-CB 4.04Å; T1068-Q1083 HydrophobicContact CG2-CG 4.16Å; T1068-K1084 CarbonylContact C-O 3.48Å; T1068-K1084 WeakPolarHBondContact CA-O 3.34Å; T1068-F1085 HydrophobicContact CG2-CD1 3.99Å; T1068-F1085 HydrophobicContact CG2-CE1 3.84Å; T1068-F1085 HydrophobicContact CG2-CG 4.45Å; T1068-F1085 HydrophobicContact CG2-CZ 4.41Å; T1068-F1085 WeakPolarHBondContact OG1-CE1 3.36Å; T1068-N1186 PolarHBondContact O-ND2 3.41Å; T1068-E1248 WeakPolarHBondContact CG2-OE1 3.32Å | ||
| 1069 | I | 65.9 | Low | 66.3 | Low | 26.4 Ų | 26.4 | 66.2 Ų | 66.2 | 14% | 0.135 | 37% | 0.371 | C | S | . | . | trans | -80.4 | 126.8 | 174.6 | -64.2 | 171.1 | 0 | 0 | 0 | 108.8 | S1067 T1071 K1084 S1086 L1088 N1186 E1187 I1188 I1197 | S1067-I1069 WeakPolarHBondContact OG-CG1 3.29Å; S1067-I1069 PolarHBondContact OG-N 3.12Å; S1067-I1069 VanDerWaalsContact OG-N 3.1Å; I1069-T1071 HydrophobicContact CB-CG2 4.18Å; I1069-T1071 HydrophobicContact CG2-CG2 4.07Å; I1069-T1071 VanDerWaalsContact CG2-CG2 3.47Å; I1069-T1071 PolarHBondContact O-N 3.26Å; I1069-K1084 PolarHBondContact N-O 2.96Å; I1069-K1084 VanDerWaalsContact N-O 3.12Å; I1069-S1086 VanDerWaalsContact O-CB 3.27Å; I1069-S1086 WeakPolarHBondContact O-CB 3.16Å; I1069-S1086 PolarHBondContact O-OG 2.83Å; I1069-L1088 HydrophobicContact CD1-CD1 4.15Å; I1069-L1088 HydrophobicContact CD1-CD2 3.8Å; I1069-L1088 HydrophobicContact CD1-CG 3.86Å; I1069-N1186 HydrophobicContact CD1-CB 3.68Å; I1069-N1186 HydrophobicContact CG1-CB 4.14Å; I1069-E1187 HydrophobicContact CD1-CB 4.27Å; I1069-I1188 HydrophobicContact CD1-CD1 4.29Å; I1069-I1188 HydrophobicContact CD1-CG1 4.48Å; I1069-I1197 HydrophobicContact CD1-CG2 3.9Å | ||
| 1070 | S | 56.5 | Low | 63.9 | Low | 69.8 Ų | 69.8 | 71 Ų | 71 | 49% | 0.488 | 39% | 0.393 | S | S | . | . | trans | -106.5 | 107 | 170.9 | 131.7 | 0 | 0 | 0 | 0 | 109.2 | T1068 M1072 | T1068-S1070 PolarHBondContact O-N 3.44Å; S1070-M1072 VanDerWaalsContact C-N 3.31Å; S1070-M1072 PolarHBondContact O-N 3.05Å; S1070-M1072 PolarHBondContact OG-N 3.01Å | ||
| 1071 | T | 51.5 | Low | 61.3 | Low | 37 Ų | 37 | 78.8 Ų | 78.8 | 23% | 0.227 | 43% | 0.434 | C | S | . | . | trans | -84 | 37.9 | 176.2 | 49 | 0 | 0 | 0 | 0 | 111.8 | I1069 E1139 L1178 I1197 | I1069-T1071 HydrophobicContact CB-CG2 4.18Å; I1069-T1071 HydrophobicContact CG2-CG2 4.07Å; I1069-T1071 VanDerWaalsContact CG2-CG2 3.47Å; I1069-T1071 PolarHBondContact O-N 3.26Å; T1071-E1139 VanDerWaalsContact CB-OE1 3.27Å; T1071-E1139 WeakPolarHBondContact CB-OE1 3.33Å; T1071-E1139 VanDerWaalsContact CB-OE2 3.26Å; T1071-E1139 WeakPolarHBondContact CB-OE2 3.25Å; T1071-E1139 VanDerWaalsContact CG2-OE2 3.3Å; T1071-E1139 WeakPolarHBondContact CG2-OE2 3.23Å; T1071-E1139 PolarHBondContact OG1-OE1 3.1Å; T1071-E1139 PolarHBondContact OG1-OE2 3.15Å; T1071-L1178 HydrophobicContact CG2-CD1 4Å; T1071-L1178 HydrophobicContact CG2-CG 4.34Å; T1071-I1197 HydrophobicContact CG2-CD1 4.08Å; T1071-I1197 HydrophobicContact CG2-CG2 4.34Å | ||
| 1072 | M | 46.2 | Very low | 59.2 | Low | 90.6 Ų | 90.6 | 80.9 Ų | 80.9 | 45% | 0.446 | 46% | 0.458 | S | S | . | . | trans | -96.8 | 103.1 | 179 | -72.7 | -68.4 | -173.7 | 0 | 0 | 114.9 | S1070 N1074 T1137 | S1070-M1072 VanDerWaalsContact C-N 3.31Å; S1070-M1072 PolarHBondContact O-N 3.05Å; S1070-M1072 PolarHBondContact OG-N 3.01Å; M1072-N1074 PolarHBondContact O-N 3.01Å; M1072-N1074 VanDerWaalsContact O-N 3.14Å; M1072-T1137 HydrophobicContact CE-CG2 4Å | ||
| 1073 | N | 40.7 | Very low | 57.5 | Low | 116.8 Ų | 116.8 | 86.9 Ų | 86.9 | 63% | 0.625 | 49% | 0.486 | S | S | * | . | trans | -84.1 | 109.6 | 167.7 | -74.7 | -31.3 | 0 | 0 | 0 | 111 | E1075 Q1177 | N1073-E1075 PolarHBondContact O-N 3.15Å; N1073-Q1177 VanDerWaalsContact CG-NE2 3.27Å; N1073-Q1177 VanDerWaalsContact ND2-CD 3.34Å; N1073-Q1177 PolarHBondContact ND2-NE2 3.23Å; N1073-Q1177 PolarHBondContact ND2-OE1 3.38Å; N1073-Q1177 PolarHBondContact OD1-NE2 3.2Å; N1073-Q1177 PolarHBondContact OD1-OE1 3.19Å | ||
| 1074 | N | 37.8 | Very low | 56.4 | Low | 137.8 Ų | 137.8 | 90.8 Ų | 90.8 | 74% | 0.737 | 50% | 0.502 | S | S | * | . | trans | -114.4 | 99.6 | 162.8 | -84.6 | -23.3 | 0 | 0 | 0 | 110.3 | M1072 C1076 | M1072-N1074 PolarHBondContact O-N 3.01Å; M1072-N1074 VanDerWaalsContact O-N 3.14Å; N1074-C1076 PolarHBondContact O-N 3.27Å; N1074-C1076 VanDerWaalsContact O-N 3.07Å | ||
| 1075 | E | 36 | Very low | 55.9 | Low | 198.2 Ų | 198.2 | 91.4 Ų | 91.4 | 93% | 0.926 | 50% | 0.504 | S | S | * | . | trans | -81.9 | 26.8 | 168.2 | -73.6 | -168.2 | 145.3 | 0 | 0 | 113.1 | N1073 N1077 | N1073-E1075 PolarHBondContact O-N 3.15Å; E1075-N1077 PolarHBondContact O-N 2.81Å | ||
| 1076 | C | 34.3 | Very low | 55.7 | Low | 102.4 Ų | 102.4 | 90.3 Ų | 90.3 | 69% | 0.692 | 50% | 0.5 | S | S | * | . | trans | -118.2 | 99.6 | 172.4 | -90.8 | 0 | 0 | 0 | 0 | 111.5 | N1074 S1078 | N1074-C1076 PolarHBondContact O-N 3.27Å; N1074-C1076 VanDerWaalsContact O-N 3.07Å; C1076-S1078 VanDerWaalsContact C-N 3.31Å; C1076-S1078 PolarHBondContact O-N 3.27Å | ||
| 1077 | N | 33.3 | Very low | 55.8 | Low | 157.2 Ų | 157.2 | 90.1 Ų | 90.1 | 84% | 0.841 | 50% | 0.498 | S | S | * | . | trans | 86.3 | 92.1 | 159.4 | -69.7 | -34.6 | 0 | 0 | 0 | 114.1 | E1075 N1079 | E1075-N1077 PolarHBondContact O-N 2.81Å; N1077-N1079 PolarHBondContact O-N 3.04Å | ||
| 1078 | S | 37.7 | Very low | 56.2 | Low | 98.6 Ų | 98.6 | 90 Ų | 90 | 69% | 0.69 | 50% | 0.497 | S | S | * | . | trans | -58.4 | 115.3 | 153.2 | 75.3 | 0 | 0 | 0 | 0 | 113 | C1076 I1080 | C1076-S1078 VanDerWaalsContact C-N 3.31Å; C1076-S1078 PolarHBondContact O-N 3.27Å; S1078-I1080 VanDerWaalsContact C-N 3.26Å; S1078-I1080 PolarHBondContact O-N 2.84Å | ||
| 1079 | N | 35.9 | Very low | 57.2 | Low | 159.4 Ų | 159.4 | 87.2 Ų | 87.2 | 85% | 0.852 | 48% | 0.48 | S | S | * | . | trans | -107.1 | 57.4 | 167.2 | -72.7 | -13.8 | 0 | 0 | 0 | 115.1 | N1077 | N1077-N1079 PolarHBondContact O-N 3.04Š| ||
| 1080 | I | 43 | Very low | 58.6 | Low | 149.8 Ų | 149.8 | 85.9 Ų | 85.9 | 77% | 0.768 | 47% | 0.474 | S | S | * | . | trans | -110.6 | 100.4 | 164.1 | -53.6 | 177.7 | 0 | 0 | 0 | 110.4 | S1078 G1082 | S1078-I1080 VanDerWaalsContact C-N 3.26Å; S1078-I1080 PolarHBondContact O-N 2.84Å; I1080-G1082 PolarHBondContact O-N 3Å; I1080-G1082 VanDerWaalsContact O-N 3.09Å | ||
| 1081 | N | 41.2 | Very low | 60.5 | Low | 173.4 Ų | 173.4 | 82.8 Ų | 82.8 | 93% | 0.927 | 45% | 0.452 | S | S | * | . | trans | -58.4 | 51.2 | 172 | -75.2 | -7.5 | 0 | 0 | 0 | 113.4 | Q1083 | N1081-Q1083 PolarHBondContact O-N 2.85Š| ||
| 1082 | G | 53 | Low | 62.6 | Low | 53 Ų | 53 | 82 Ų | 82 | 55% | 0.546 | 45% | 0.446 | S | S | . | . | trans | -86.3 | 111.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | I1080 K1084 | I1080-G1082 PolarHBondContact O-N 3Å; I1080-G1082 VanDerWaalsContact O-N 3.09Å; G1082-K1084 PolarHBondContact O-N 3.15Å | ||
| 1083 | Q | 60.4 | Low | 64.8 | Low | 130.4 Ų | 130.4 | 78 Ų | 78 | 61% | 0.609 | 43% | 0.426 | S | S | * | . | P | Polyproline II helix | trans | -61 | 122.3 | 168.2 | -115.4 | 174.1 | -6.6 | 0 | 0 | 109.5 | T1068 N1081 F1085 E1248 | T1068-Q1083 HydrophobicContact CG2-CB 4.04Å; T1068-Q1083 HydrophobicContact CG2-CG 4.16Å; N1081-Q1083 PolarHBondContact O-N 2.85Å; Q1083-F1085 HydrophobicContact CB-CE2 4.28Å; Q1083-F1085 HydrophobicContact CB-CZ 4.37Å; Q1083-F1085 HydrophobicContact CG-CE1 4.37Å; Q1083-F1085 HydrophobicContact CG-CE2 4.26Å; Q1083-F1085 HydrophobicContact CG-CZ 4.14Å; Q1083-F1085 WeakPolarHBondContact O-CD2 3.47Å; Q1083-F1085 WeakPolarHBondContact O-CE2 3.48Å; Q1083-E1248 PolarHBondContact NE2-OE1 3.18Å |
| 1084 | K | 72.4 | Confident | 67.2 | Low | 104 Ų | 104 | 75.3 Ų | 75.3 | 45% | 0.452 | 42% | 0.416 | S | S | . | . | trans | -90 | 124.6 | 176.4 | -72.1 | -173.6 | 174.4 | -173 | 0 | 109.7 | Y416 T1068 I1069 G1082 | Y416-K1084 HydrophobicContact CE1-CB 3.55Å; Y416-K1084 HydrophobicContact CE1-CD 4.13Å; Y416-K1084 HydrophobicContact CE1-CG 3.64Å; Y416-K1084 HydrophobicContact CE2-CG 4.37Å; Y416-K1084 VanDerWaalsContact CZ-CG 3.49Å; Y416-K1084 WeakPolarHBondContact OH-CD 3.45Å; Y416-K1084 WeakPolarHBondContact OH-CE 3.44Å; Y416-K1084 PolarHBondContact OH-NZ 3.08Å; T1068-K1084 CarbonylContact C-O 3.48Å; T1068-K1084 WeakPolarHBondContact CA-O 3.34Å; I1069-K1084 PolarHBondContact N-O 2.96Å; I1069-K1084 VanDerWaalsContact N-O 3.12Å; G1082-K1084 PolarHBondContact O-N 3.15Å | ||
| 1085 | F | 84.5 | Confident | 69.7 | Low | 18.4 Ų | 18.4 | 72.3 Ų | 72.3 | 8% | 0.081 | 40% | 0.403 | C | S | . | . | trans | -92.1 | 150.6 | 174.9 | -67.4 | -79.5 | 0 | 0 | 0 | 110.2 | P417 L1066 S1067 T1068 Q1083 L1200 P1216 A1217 E1248 | P417-F1085 HydrophobicContact CB-CD2 4.44Å; P417-F1085 HydrophobicContact CG-CD2 3.9Å; L1066-F1085 HydrophobicContact CD1-CB 4.34Å; L1066-F1085 HydrophobicContact CD2-CD1 4.06Å; L1066-F1085 HydrophobicContact CD2-CE1 4.11Å; L1066-F1085 HydrophobicContact CG-CD1 4.24Å; S1067-F1085 CarbonylContact O-C 3.58Å; S1067-F1085 VanDerWaalsContact O-CA 3.28Å; S1067-F1085 WeakPolarHBondContact O-CA 3.35Å; T1068-F1085 HydrophobicContact CG2-CD1 3.99Å; T1068-F1085 HydrophobicContact CG2-CE1 3.84Å; T1068-F1085 HydrophobicContact CG2-CG 4.45Å; T1068-F1085 HydrophobicContact CG2-CZ 4.41Å; T1068-F1085 WeakPolarHBondContact OG1-CE1 3.36Å; Q1083-F1085 HydrophobicContact CB-CE2 4.28Å; Q1083-F1085 HydrophobicContact CB-CZ 4.37Å; Q1083-F1085 HydrophobicContact CG-CE1 4.37Å; Q1083-F1085 HydrophobicContact CG-CE2 4.26Å; Q1083-F1085 HydrophobicContact CG-CZ 4.14Å; Q1083-F1085 WeakPolarHBondContact O-CD2 3.47Å; Q1083-F1085 WeakPolarHBondContact O-CE2 3.48Å; F1085-L1200 HydrophobicContact CB-CB 4.41Å; F1085-L1200 HydrophobicContact CB-CD1 3.88Å; F1085-L1200 HydrophobicContact CB-CG 4.33Å; F1085-L1200 WeakPolarHBondContact O-CB 3.38Å; F1085-L1200 WeakPolarHBondContact O-CD1 3.49Å; F1085-L1200 WeakPolarHBondContact O-CG 3.28Å; F1085-L1200 PolarHBondContact O-N 3.03Å; F1085-P1216 HydrophobicContact CD2-CB 4.18Å; F1085-P1216 HydrophobicContact CD2-CG 4.14Å; F1085-A1217 HydrophobicContact CD1-CB 4.14Å; F1085-A1217 HydrophobicContact CD2-CB 4.2Å; F1085-A1217 HydrophobicContact CE1-CB 4.14Å; F1085-A1217 HydrophobicContact CE2-CB 4.19Å; F1085-A1217 HydrophobicContact CG-CB 4.23Å; F1085-A1217 HydrophobicContact CZ-CB 4.21Å; F1085-E1248 HydrophobicContact CE1-CB 4.18Å; F1085-E1248 HydrophobicContact CE1-CG 3.85Å; F1085-E1248 WeakPolarHBondContact CE1-OE2 3.42Å; F1085-E1248 HydrophobicContact CZ-CG 4.03Å; F1085-E1248 WeakPolarHBondContact CZ-OE2 3.44Å | ||
| 1086 | S | 88.9 | Confident | 72.2 | Confident | 1.2 Ų | 1.2 | 63.3 Ų | 63.3 | 1% | 0.008 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 139.1 | 171.9 | -65.8 | 0 | 0 | 0 | 0 | 109.3 | S1067 I1069 L1198 P1199 | S1067-S1086 PolarHBondContact N-O 3.16Å; S1067-S1086 PolarHBondContact O-N 2.96Å; S1067-S1086 VanDerWaalsContact O-O 3.09Å; I1069-S1086 VanDerWaalsContact O-CB 3.27Å; I1069-S1086 WeakPolarHBondContact O-CB 3.16Å; I1069-S1086 PolarHBondContact O-OG 2.83Å; S1086-L1198 WeakPolarHBondContact CA-O 3.37Å; S1086-L1198 WeakPolarHBondContact CB-O 3.3Å; S1086-L1198 PolarHBondContact OG-O 3.15Å; S1086-P1199 WeakPolarHBondContact OG-CA 3.38Å |
| 1087 | L | 92 | Very high | 74.9 | Confident | 0.6 Ų | 0.6 | 59.8 Ų | 59.8 | 0% | 0.003 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 118.6 | 166.9 | 178.1 | 63.8 | 0 | 0 | 0 | 108.1 | F1041 L1064 Q1065 V1089 I1134 L1198 L1200 I1220 I1224 | F1041-L1087 HydrophobicContact CE2-CD2 3.93Å; F1041-L1087 HydrophobicContact CZ-CD2 4.36Å; L1064-L1087 HydrophobicContact CB-CD1 4.25Å; Q1065-L1087 CarbonylContact O-C 3.22Å; L1087-V1089 HydrophobicContact CD2-CG2 4.48Å; L1087-V1089 HydrophobicContact CG-CG2 4.29Å; L1087-I1134 HydrophobicContact CD2-CD1 4.07Å; L1087-L1198 HydrophobicContact CB-CB 4.19Å; L1087-L1198 HydrophobicContact CB-CD1 3.74Å; L1087-L1198 HydrophobicContact CB-CG 3.68Å; L1087-L1198 HydrophobicContact CD2-CD1 4.22Å; L1087-L1198 HydrophobicContact CD2-CG 4.34Å; L1087-L1198 HydrophobicContact CG-CD1 3.83Å; L1087-L1198 HydrophobicContact CG-CG 3.97Å; L1087-L1198 PolarHBondContact N-O 3.14Å; L1087-L1198 WeakPolarHBondContact O-CA 3.42Å; L1087-L1198 WeakPolarHBondContact O-CB 3.39Å; L1087-L1198 WeakPolarHBondContact O-CG 3.44Å; L1087-L1198 PolarHBondContact O-N 3.25Å; L1087-L1200 HydrophobicContact CB-CD2 4.22Å; L1087-I1220 HydrophobicContact CD1-CG2 4.35Å; L1087-I1220 HydrophobicContact CD2-CG2 4.31Å; L1087-I1224 HydrophobicContact CD1-CD1 4.42Å |
| 1088 | L | 93.7 | Very high | 77.6 | Confident | 3.2 Ų | 3.2 | 54.4 Ų | 54.4 | 2% | 0.017 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 127.9 | 173.1 | -54.4 | -179.7 | 0 | 0 | 0 | 108.5 | L1064 Q1065 S1067 I1069 M1090 N1186 I1188 L1195 F1196 I1197 | L1064-L1088 CarbonylContact C-O 3.52Å; L1064-L1088 WeakPolarHBondContact CA-O 3.35Å; Q1065-L1088 HydrophobicContact CB-CB 4.28Å; Q1065-L1088 HydrophobicContact CG-CD1 4.42Å; Q1065-L1088 PolarHBondContact N-O 3.26Å; Q1065-L1088 WeakPolarHBondContact O-CB 3.42Å; Q1065-L1088 PolarHBondContact O-N 3.04Å; S1067-L1088 WeakPolarHBondContact OG-CD1 3.45Å; I1069-L1088 HydrophobicContact CD1-CD1 4.15Å; I1069-L1088 HydrophobicContact CD1-CD2 3.8Å; I1069-L1088 HydrophobicContact CD1-CG 3.86Å; L1088-M1090 HydrophobicContact CB-CE 4.28Å; L1088-M1090 HydrophobicContact CB-CG 4.2Å; L1088-M1090 HydrophobicContact CB-SD 4.27Å; L1088-N1186 HydrophobicContact CD1-CB 4.47Å; L1088-I1188 HydrophobicContact CD1-CG1 4.4Å; L1088-L1195 HydrophobicContact CB-CD1 4.14Å; L1088-L1195 HydrophobicContact CD2-CD1 4.32Å; L1088-F1196 CarbonylContact C-O 3.49Å; L1088-F1196 WeakPolarHBondContact CA-O 3.33Å; L1088-I1197 HydrophobicContact CD2-CB 4.24Å; L1088-I1197 HydrophobicContact CD2-CD1 4.36Å; L1088-I1197 HydrophobicContact CD2-CG1 3.93Å; L1088-I1197 HydrophobicContact CD2-CG2 4.02Å |
| 1089 | V | 95.3 | Very high | 80 | Confident | 2.2 Ų | 2.2 | 53.4 Ų | 53.4 | 1% | 0.013 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 108.3 | 177.1 | -174.5 | 0 | 0 | 0 | 0 | 107.5 | L1045 L1062 L1064 L1087 L1195 F1196 L1198 | L1045-V1089 HydrophobicContact CD1-CG1 4.44Å; L1045-V1089 HydrophobicContact CD1-CG2 3.96Å; L1045-V1089 HydrophobicContact CD2-CG1 4.4Å; L1062-V1089 HydrophobicContact CD1-CG1 3.73Å; L1062-V1089 HydrophobicContact CG-CG1 4.43Å; L1064-V1089 HydrophobicContact CD2-CB 4.21Å; L1064-V1089 HydrophobicContact CD2-CG1 3.87Å; L1064-V1089 HydrophobicContact CD2-CG2 3.79Å; L1087-V1089 HydrophobicContact CD2-CG2 4.48Å; L1087-V1089 HydrophobicContact CG-CG2 4.29Å; V1089-L1195 CarbonylContact O-C 3.53Å; V1089-L1195 WeakPolarHBondContact O-CA 3.32Å; V1089-F1196 HydrophobicContact CB-CB 4Å; V1089-F1196 HydrophobicContact CB-CD2 4.05Å; V1089-F1196 HydrophobicContact CB-CG 4.31Å; V1089-F1196 HydrophobicContact CG1-CD2 4.12Å; V1089-F1196 HydrophobicContact CG1-CE2 4.34Å; V1089-F1196 HydrophobicContact CG1-CG 4.42Å; V1089-F1196 HydrophobicContact CG2-CB 4.38Å; V1089-F1196 PolarHBondContact N-O 3.16Å; V1089-F1196 WeakPolarHBondContact O-CD2 3.39Å; V1089-F1196 PolarHBondContact O-N 3.13Å; V1089-L1198 HydrophobicContact CB-CD2 4.42Å; V1089-L1198 HydrophobicContact CG2-CD1 4.01Å; V1089-L1198 HydrophobicContact CG2-CD2 3.6Å; V1089-L1198 HydrophobicContact CG2-CG 4.09Å |
| 1090 | M | 95.8 | Very high | 82.3 | Confident | 0.2 Ų | 0.2 | 50.9 Ų | 50.9 | 0% | 0.001 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 125.4 | -170 | -65.4 | 176.4 | -72.6 | 0 | 0 | 110.6 | L1062 Q1063 Q1065 L1088 I1188 P1189 W1191 C1192 L1195 | L1062-M1090 WeakPolarHBondContact CA-O 3.31Å; Q1063-M1090 HydrophobicContact CB-CB 4.43Å; Q1063-M1090 HydrophobicContact CB-CE 4.2Å; Q1063-M1090 HydrophobicContact CG-CE 3.83Å; Q1063-M1090 PolarHBondContact N-O 3.1Å; Q1063-M1090 PolarHBondContact O-N 3.06Å; Q1065-M1090 HydrophobicContact CB-CE 3.77Å; Q1065-M1090 HydrophobicContact CG-CE 4.37Å; L1088-M1090 HydrophobicContact CB-CE 4.28Å; L1088-M1090 HydrophobicContact CB-CG 4.2Å; L1088-M1090 HydrophobicContact CB-SD 4.27Å; M1090-I1188 HydrophobicContact SD-CG2 4.34Å; M1090-P1189 VanDerWaalsContact SD-CD 3.54Å; M1090-P1189 WeakPolarHBondContact SD-CD 3.42Å; M1090-P1189 HydrophobicContact SD-CG 4.38Å; M1090-W1191 HydrophobicContact CB-CH2 3.82Å; M1090-W1191 HydrophobicContact CB-CZ3 3.98Å; M1090-W1191 HydrophobicContact SD-CH2 4.49Å; M1090-C1192 HydrophobicContact CB-CB 4.41Å; M1090-C1192 HydrophobicContact CG-CB 4.47Å; M1090-L1195 HydrophobicContact CG-CD1 3.62Å; M1090-L1195 HydrophobicContact SD-CD1 4.48Å |
| 1091 | N | 96.2 | Very high | 84.4 | Confident | 4.2 Ų | 4.2 | 45.9 Ų | 45.9 | 2% | 0.022 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 143.6 | 178.7 | -165.2 | -112 | 0 | 0 | 0 | 111.6 | A1049 N1052 Y1054 T1061 L1062 E1093 K1193 T1194 | A1049-N1091 WeakPolarHBondContact CB-ND2 3.28Å; N1052-N1091 PolarHBondContact ND2-ND2 2.87Å; N1052-N1091 PolarHBondContact ND2-OD1 3.28Å; N1052-N1091 VanDerWaalsContact ND2-OD1 3.1Å; Y1054-N1091 WeakPolarHBondContact CE1-OD1 3.46Å; Y1054-N1091 VanDerWaalsContact OH-CG 3.28Å; Y1054-N1091 PolarHBondContact OH-ND2 3.21Å; Y1054-N1091 PolarHBondContact OH-OD1 3.21Å; Y1054-N1091 VanDerWaalsContact OH-OD1 3.05Å; T1061-N1091 PolarHBondContact O-ND2 3.25Å; T1061-N1091 PolarHBondContact O-OD1 3.18Å; T1061-N1091 VanDerWaalsContact O-OD1 3.13Å; L1062-N1091 HydrophobicContact CD1-CB 3.9Å; N1091-E1093 VanDerWaalsContact C-N 3.3Å; N1091-E1093 HydrophobicContact CB-CG 4.41Å; N1091-E1093 WeakPolarHBondContact CB-OE2 3.35Å; N1091-E1093 VanDerWaalsContact CG-OE2 3.29Å; N1091-E1093 PolarHBondContact ND2-OE2 2.86Å; N1091-E1093 PolarHBondContact O-N 3.22Å; N1091-E1093 WeakPolarHBondContact OD1-CB 3.37Å; N1091-E1093 VanDerWaalsContact OD1-CG 3.26Å; N1091-E1093 WeakPolarHBondContact OD1-CG 3.37Å; N1091-E1093 PolarHBondContact OD1-N 3.25Å; N1091-K1193 PolarHBondContact O-N 3.13Å; N1091-T1194 PolarHBondContact N-O 3.08Å; N1091-T1194 PolarHBondContact O-N 3.06Å |
| 1092 | N | 95.5 | Very high | 86.7 | Confident | 20.4 Ų | 20.4 | 37.6 Ų | 37.6 | 11% | 0.109 | 21% | 0.207 | C | C | . | . | trans | -100.8 | 29.9 | -177.6 | 75.4 | -32.7 | 0 | 0 | 0 | 113.7 | Y1054 T1059 T1061 W1191 | Y1054-N1092 WeakPolarHBondContact CD1-OD1 3.4Å; Y1054-N1092 VanDerWaalsContact CE1-OD1 3.29Å; Y1054-N1092 WeakPolarHBondContact CE1-OD1 3.32Å; T1059-N1092 PolarHBondContact O-ND2 3.18Å; T1061-N1092 PolarHBondContact N-OD1 3.26Å; T1061-N1092 PolarHBondContact O-N 3.02Å; T1061-N1092 PolarHBondContact O-OD1 3.1Å; T1061-N1092 VanDerWaalsContact O-OD1 3.11Å; N1092-W1191 HydrophobicContact CB-CD2 4.46Å; N1092-W1191 HydrophobicContact CB-CE3 3.65Å; N1092-W1191 HydrophobicContact CB-CZ3 4.2Å | ||
| 1093 | E | 94 | Very high | 88.3 | Confident | 5.6 Ų | 5.6 | 36.7 Ų | 36.7 | 3% | 0.026 | 19% | 0.193 | C | C | . | . | trans | -63.9 | 157 | 176.2 | 66.5 | 36.7 | 170.3 | 0 | 0 | 112.5 | N1052 T1053 Y1054 N1091 V1095 G1096 K1193 T1194 | N1052-E1093 HydrophobicContact CB-CB 3.65Å; N1052-E1093 HydrophobicContact CB-CG 4.16Å; N1052-E1093 VanDerWaalsContact CG-CD 3.43Å; N1052-E1093 WeakPolarHBondContact ND2-CG 3.44Å; N1052-E1093 PolarHBondContact ND2-OE1 3.34Å; N1052-E1093 PolarHBondContact ND2-OE2 3.12Å; T1053-E1093 CarbonylContact O-C 3.55Å; T1053-E1093 VanDerWaalsContact O-CA 3.3Å; T1053-E1093 WeakPolarHBondContact O-CA 3.29Å; T1053-E1093 VanDerWaalsContact O-CB 3.27Å; T1053-E1093 WeakPolarHBondContact O-CB 3.39Å; Y1054-E1093 HydrophobicContact CD1-CB 4.25Å; Y1054-E1093 HydrophobicContact CE1-CB 3.91Å; N1091-E1093 VanDerWaalsContact C-N 3.3Å; N1091-E1093 HydrophobicContact CB-CG 4.41Å; N1091-E1093 WeakPolarHBondContact CB-OE2 3.35Å; N1091-E1093 VanDerWaalsContact CG-OE2 3.29Å; N1091-E1093 PolarHBondContact ND2-OE2 2.86Å; N1091-E1093 PolarHBondContact O-N 3.22Å; N1091-E1093 WeakPolarHBondContact OD1-CB 3.37Å; N1091-E1093 VanDerWaalsContact OD1-CG 3.26Å; N1091-E1093 WeakPolarHBondContact OD1-CG 3.37Å; N1091-E1093 PolarHBondContact OD1-N 3.25Å; E1093-V1095 VanDerWaalsContact C-N 3.29Å; E1093-V1095 PolarHBondContact O-N 2.81Å; E1093-V1095 PolarHBondContact OE2-N 3Å; E1093-G1096 VanDerWaalsContact OE1-CA 3.24Å; E1093-G1096 WeakPolarHBondContact OE1-CA 3.42Å; E1093-G1096 PolarHBondContact OE1-N 3.05Å; E1093-G1096 PolarHBondContact OE2-N 3.18Å; E1093-K1193 HydrophobicContact CG-CB 4.3Å; E1093-K1193 WeakPolarHBondContact O-CB 3.39Å; E1093-K1193 VanDerWaalsContact O-CG 3.25Å; E1093-K1193 WeakPolarHBondContact O-CG 3.35Å; E1093-K1193 VanDerWaalsContact OE1-C 3.29Å; E1093-K1193 VanDerWaalsContact OE1-CB 3.24Å; E1093-K1193 WeakPolarHBondContact OE1-CB 3.41Å; E1093-K1193 VanDerWaalsContact OE1-CG 3.29Å; E1093-K1193 WeakPolarHBondContact OE1-CG 3.26Å; E1093-T1194 VanDerWaalsContact OE1-CB 3.25Å; E1093-T1194 WeakPolarHBondContact OE1-CB 3.34Å; E1093-T1194 PolarHBondContact OE1-N 3.04Å; E1093-T1194 PolarHBondContact OE1-OG1 3.01Å | ||
| 1094 | S | 91.2 | Very high | 89.3 | Confident | 60.4 Ų | 60.4 | 31.6 Ų | 31.6 | 42% | 0.422 | 17% | 0.172 | S | C | . | . | S | Bend | trans | -81 | -20.2 | -168.5 | 57.9 | 0 | 0 | 0 | 0 | 115.5 | T1053 | T1053-S1094 PolarHBondContact O-N 3.04Å; T1053-S1094 PolarHBondContact O-OG 3.13Å; T1053-S1094 VanDerWaalsContact O-OG 3.12Å; T1053-S1094 PolarHBondContact OG1-OG 3.35Å |
| 1095 | V | 88.4 | Confident | 89.9 | Confident | 75.2 Ų | 75.2 | 27.4 Ų | 27.4 | 46% | 0.456 | 16% | 0.155 | S | C | . | . | S | Bend | trans | -113.9 | -44.8 | -168.9 | -174.8 | 0 | 0 | 0 | 0 | 112.5 | E1093 T1098 N1143 K1193 | E1093-V1095 VanDerWaalsContact C-N 3.29Å; E1093-V1095 PolarHBondContact O-N 2.81Å; E1093-V1095 PolarHBondContact OE2-N 3Å; V1095-T1098 HydrophobicContact CG1-CG2 4.41Å; V1095-T1098 WeakPolarHBondContact CG1-OG1 3.48Å; V1095-N1143 WeakPolarHBondContact O-CB 3.21Å; V1095-N1143 PolarHBondContact O-ND2 2.98Å; V1095-N1143 PolarHBondContact O-OD1 3.23Å; V1095-K1193 WeakPolarHBondContact O-CE 3.47Å |
| 1096 | G | 89.4 | Confident | 89.9 | Confident | 9.2 Ų | 9.2 | 26.8 Ų | 26.8 | 10% | 0.095 | 15% | 0.153 | C | C | . | . | trans | 72.3 | -167.4 | -164 | 0 | 0 | 0 | 0 | 0 | 112.7 | E1093 T1098 S1142 | E1093-G1096 VanDerWaalsContact OE1-CA 3.24Å; E1093-G1096 WeakPolarHBondContact OE1-CA 3.42Å; E1093-G1096 PolarHBondContact OE1-N 3.05Å; E1093-G1096 PolarHBondContact OE2-N 3.18Å; G1096-T1098 PolarHBondContact O-N 3.35Å; G1096-S1142 VanDerWaalsContact CA-OG 3.26Å; G1096-S1142 WeakPolarHBondContact CA-OG 3.36Å | ||
| 1097 | F | 90.4 | Very high | 89.3 | Confident | 28.2 Ų | 28.2 | 29.5 Ų | 29.5 | 12% | 0.124 | 17% | 0.167 | C | C | . | . | trans | -73.1 | 134.1 | -176.4 | -83.4 | -94.1 | 0 | 0 | 0 | 111.6 | D410 A411 I412 D1101 M1102 L1105 V1140 S1142 N1143 F1145 T1194 F1196 | D410-F1097 VanDerWaalsContact C-CB 3.48Å; D410-F1097 VanDerWaalsContact C-CG 3.47Å; D410-F1097 HydrophobicContact CB-CB 4.48Å; D410-F1097 WeakPolarHBondContact O-CD1 3.28Å; D410-F1097 VanDerWaalsContact OD1-CB 3.31Å; D410-F1097 WeakPolarHBondContact OD1-CB 3.45Å; A411-F1097 HydrophobicContact CB-CD1 4.29Å; A411-F1097 HydrophobicContact CB-CE1 4.1Å; A411-F1097 HydrophobicContact CB-CE2 4.41Å; A411-F1097 HydrophobicContact CB-CZ 4.18Å; A411-F1097 VanDerWaalsContact N-CB 3.29Å; A411-F1097 WeakPolarHBondContact O-CD2 3.45Å; A411-F1097 WeakPolarHBondContact O-CE2 3.34Å; I412-F1097 HydrophobicContact CB-CE2 4.06Å; I412-F1097 HydrophobicContact CB-CZ 4.17Å; I412-F1097 HydrophobicContact CD1-CE1 4.21Å; I412-F1097 HydrophobicContact CD1-CE2 4.29Å; I412-F1097 HydrophobicContact CD1-CZ 3.52Å; I412-F1097 HydrophobicContact CG1-CE1 4.27Å; I412-F1097 HydrophobicContact CG1-CE2 3.77Å; I412-F1097 HydrophobicContact CG1-CZ 3.46Å; I412-F1097 VanDerWaalsContact CG1-CZ 3.46Å; F1097-D1101 HydrophobicContact CD1-CB 3.59Å; F1097-D1101 HydrophobicContact CE1-CB 4.12Å; F1097-D1101 HydrophobicContact CG-CB 4.34Å; F1097-M1102 HydrophobicContact CB-CE 4.1Å; F1097-M1102 HydrophobicContact CB-CG 4.23Å; F1097-M1102 HydrophobicContact CD1-CE 3.82Å; F1097-M1102 HydrophobicContact CD1-CG 4.03Å; F1097-M1102 HydrophobicContact CD1-SD 4.05Å; F1097-M1102 HydrophobicContact CD2-CE 4.27Å; F1097-M1102 HydrophobicContact CE1-CE 4.33Å; F1097-M1102 HydrophobicContact CG-CE 4.01Å; F1097-L1105 HydrophobicContact CE1-CB 4.45Å; F1097-L1105 HydrophobicContact CE1-CD1 4.41Å; F1097-L1105 HydrophobicContact CE1-CD2 3.95Å; F1097-L1105 HydrophobicContact CE1-CG 4.48Å; F1097-L1105 HydrophobicContact CZ-CD2 4.35Å; F1097-V1140 HydrophobicContact CD2-CG1 4.29Å; F1097-V1140 HydrophobicContact CE2-CG1 4.1Å; F1097-V1140 HydrophobicContact CZ-CG1 4.41Å; F1097-S1142 VanDerWaalsContact CD2-CB 3.44Å; F1097-S1142 WeakPolarHBondContact CD2-OG 3.4Å; F1097-S1142 PolarHBondContact N-OG 3Å; F1097-S1142 VanDerWaalsContact N-OG 3.08Å; F1097-N1143 VanDerWaalsContact O-CB 3.28Å; F1097-N1143 WeakPolarHBondContact O-CB 3.43Å; F1097-N1143 PolarHBondContact O-ND2 3.25Å; F1097-N1143 VanDerWaalsContact O-ND2 3.12Å; F1097-F1145 HydrophobicContact CB-CD2 4.12Å; F1097-F1145 HydrophobicContact CB-CE2 4.45Å; F1097-F1145 WeakPolarHBondContact O-CD2 3.41Å; F1097-F1145 WeakPolarHBondContact O-CE2 3.2Å; F1097-T1194 HydrophobicContact CD2-CG2 4.22Å; F1097-T1194 HydrophobicContact CE2-CG2 3.89Å; F1097-T1194 HydrophobicContact CZ-CG2 4.05Å; F1097-F1196 AromaticContact CE2-CE1 3.94Å; F1097-F1196 HydrophobicContact CE2-CE1 4.15Å; F1097-F1196 AromaticContact CE2-CZ 3.89Å; F1097-F1196 HydrophobicContact CE2-CZ 3.92Å; F1097-F1196 HydrophobicContact CZ-CE1 4.29Å; F1097-F1196 AromaticContact CZ-CZ 3.97Å; F1097-F1196 HydrophobicContact CZ-CZ 4.08Å | ||
| 1098 | T | 89.8 | Confident | 88.3 | Confident | 45.2 Ų | 45.2 | 32.1 Ų | 32.1 | 28% | 0.277 | 18% | 0.181 | S | C | . | . | trans | -99.5 | -178.7 | 172.5 | 55.8 | 0 | 0 | 0 | 0 | 111.6 | D409 D410 R990 V1095 G1096 H1100 D1101 M1102 N1143 F1145 | D409-T1098 CarbonylContact O-C 3.56Å; D409-T1098 WeakPolarHBondContact O-CA 3.32Å; D409-T1098 WeakPolarHBondContact O-CB 3.15Å; D409-T1098 PolarHBondContact O-N 3.24Å; D409-T1098 PolarHBondContact O-OG1 2.92Å; D410-T1098 VanDerWaalsContact CA-N 3.3Å; R990-T1098 PolarHBondContact NH1-O 3.28Å; R990-T1098 PolarHBondContact NH2-O 2.88Å; V1095-T1098 HydrophobicContact CG1-CG2 4.41Å; V1095-T1098 WeakPolarHBondContact CG1-OG1 3.48Å; G1096-T1098 PolarHBondContact O-N 3.35Å; T1098-H1100 PolarHBondContact O-N 3.15Å; T1098-H1100 PolarHBondContact OG1-N 3Å; T1098-D1101 VanDerWaalsContact CB-OD2 3.28Å; T1098-D1101 WeakPolarHBondContact CB-OD2 3.31Å; T1098-D1101 WeakPolarHBondContact CG2-OD2 3.25Å; T1098-D1101 PolarHBondContact N-OD2 3.21Å; T1098-D1101 VanDerWaalsContact N-OD2 3.09Å; T1098-D1101 PolarHBondContact O-N 3.3Å; T1098-D1101 VanDerWaalsContact O-N 3.16Å; T1098-D1101 VanDerWaalsContact OG1-CG 3.23Å; T1098-D1101 PolarHBondContact OG1-N 3.3Å; T1098-D1101 PolarHBondContact OG1-OD2 3.19Å; T1098-M1102 WeakPolarHBondContact O-CB 3.48Å; T1098-M1102 PolarHBondContact O-N 3.07Å; T1098-N1143 PolarHBondContact OG1-ND2 2.85Å; T1098-N1143 VanDerWaalsContact OG1-ND2 3.17Å; T1098-F1145 VanDerWaalsContact O-CE2 3.3Å; T1098-F1145 WeakPolarHBondContact O-CE2 3.49Å; T1098-F1145 WeakPolarHBondContact O-CZ 3.39Å | ||
| 1099 | E | 89.4 | Confident | 86.7 | Confident | 76.8 Ų | 76.8 | 34 Ų | 34 | 36% | 0.359 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -68.8 | -27.9 | 175 | -85 | 167.3 | -150.2 | 0 | 0 | 113.8 | D409 S988 R990 F993 M1102 S1103 F1145 | D409-E1099 PolarHBondContact O-N 2.83Å; D409-E1099 VanDerWaalsContact O-N 3.15Å; S988-E1099 WeakPolarHBondContact CB-OE1 3.37Å; S988-E1099 PolarHBondContact OG-OE1 2.9Å; R990-E1099 IonicContact CZ-OE1 3.32Å; R990-E1099 VanDerWaalsContact NH1-CD 3.33Å; R990-E1099 VanDerWaalsContact NH1-CG 3.31Å; R990-E1099 IonicContact NH1-OE1 3.08Å; R990-E1099 PolarHBondContact NH1-OE1 3.07Å; R990-E1099 IonicContact NH2-OE1 3.37Å; F993-E1099 HydrophobicContact CD1-CB 4.47Å; F993-E1099 HydrophobicContact CD1-CG 3.93Å; F993-E1099 HydrophobicContact CD2-CB 4.27Å; F993-E1099 HydrophobicContact CD2-CG 3.69Å; F993-E1099 HydrophobicContact CE1-CB 3.85Å; F993-E1099 HydrophobicContact CE1-CG 3.8Å; F993-E1099 HydrophobicContact CE2-CB 3.64Å; F993-E1099 HydrophobicContact CE2-CG 3.59Å; F993-E1099 HydrophobicContact CG-CG 3.85Å; F993-E1099 HydrophobicContact CZ-CB 3.39Å; F993-E1099 VanDerWaalsContact CZ-CB 3.41Å; F993-E1099 HydrophobicContact CZ-CG 3.64Å; F993-E1099 WeakPolarHBondContact CZ-O 3.39Å; E1099-M1102 PolarHBondContact O-N 3.34Å; E1099-S1103 WeakPolarHBondContact O-CB 3.34Å; E1099-S1103 PolarHBondContact O-N 3.03Å; E1099-S1103 PolarHBondContact O-OG 2.87Å; E1099-F1145 HydrophobicContact CG-CZ 3.94Å |
| 1100 | H | 84.9 | Confident | 84.9 | Confident | 108 Ų | 108 | 40 Ų | 40 | 50% | 0.5 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -82.3 | -46.8 | 178.7 | -169.4 | 46.6 | 0 | 0 | 0 | 112.6 | D409 T1098 M1102 S1103 A1104 T1112 | D409-H1100 HydrophobicContact CB-CB 4.2Å; D409-H1100 WeakPolarHBondContact OD1-CB 3.39Å; D409-H1100 IonicContact OD1-CD2 3.05Å; D409-H1100 PolarHBondContact OD1-CD2 2.85Å; D409-H1100 VanDerWaalsContact OD1-CD2 3.23Å; D409-H1100 IonicContact OD1-CG 3.26Å; T1098-H1100 PolarHBondContact O-N 3.15Å; T1098-H1100 PolarHBondContact OG1-N 3Å; H1100-M1102 VanDerWaalsContact C-N 3.3Å; H1100-M1102 PolarHBondContact O-N 3.01Å; H1100-S1103 WeakPolarHBondContact O-CB 3.48Å; H1100-S1103 PolarHBondContact O-N 3.06Å; H1100-A1104 WeakPolarHBondContact O-CB 3.27Å; H1100-A1104 PolarHBondContact O-N 3.13Å; H1100-T1112 WeakPolarHBondContact CD2-CG2 3.37Å; H1100-T1112 WeakPolarHBondContact NE2-CB 3.12Å; H1100-T1112 VanDerWaalsContact NE2-CG2 3.28Å; H1100-T1112 WeakPolarHBondContact NE2-CG2 3.38Å |
| 1101 | D | 86.3 | Confident | 83 | Confident | 43.2 Ų | 43.2 | 41 Ų | 41 | 23% | 0.231 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -65.4 | -32.2 | 179 | -48.8 | -68.9 | 0 | 0 | 0 | 112.2 | D409 D410 A411 F1097 T1098 A1104 L1105 | D409-D1101 WeakPolarHBondContact CB-OD2 3.26Å; D410-D1101 VanDerWaalsContact N-N 3.15Å; D410-D1101 PolarHBondContact N-OD2 2.61Å; D410-D1101 CarbonylContact O-C 3.55Å; D410-D1101 WeakPolarHBondContact O-CA 3.31Å; D410-D1101 WeakPolarHBondContact O-CB 3.16Å; A411-D1101 HydrophobicContact CB-CB 4.42Å; A411-D1101 WeakPolarHBondContact CB-O 3.39Å; F1097-D1101 HydrophobicContact CD1-CB 3.59Å; F1097-D1101 HydrophobicContact CE1-CB 4.12Å; F1097-D1101 HydrophobicContact CG-CB 4.34Å; T1098-D1101 VanDerWaalsContact CB-OD2 3.28Å; T1098-D1101 WeakPolarHBondContact CB-OD2 3.31Å; T1098-D1101 WeakPolarHBondContact CG2-OD2 3.25Å; T1098-D1101 PolarHBondContact N-OD2 3.21Å; T1098-D1101 VanDerWaalsContact N-OD2 3.09Å; T1098-D1101 PolarHBondContact O-N 3.3Å; T1098-D1101 VanDerWaalsContact O-N 3.16Å; T1098-D1101 VanDerWaalsContact OG1-CG 3.23Å; T1098-D1101 PolarHBondContact OG1-N 3.3Å; T1098-D1101 PolarHBondContact OG1-OD2 3.19Å; D1101-A1104 HydrophobicContact CB-CB 4.14Å; D1101-A1104 CarbonylContact O-C 3.55Å; D1101-A1104 VanDerWaalsContact O-C 3.31Å; D1101-A1104 WeakPolarHBondContact O-CA 3.31Å; D1101-A1104 WeakPolarHBondContact O-CB 3.49Å; D1101-A1104 PolarHBondContact O-N 3.1Å; D1101-L1105 WeakPolarHBondContact O-CB 3.4Å; D1101-L1105 PolarHBondContact O-N 3.16Å |
| 1102 | M | 88.6 | Confident | 81 | Confident | 0.2 Ų | 0.2 | 42.4 Ų | 42.4 | 0% | 0.001 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -69 | -40.9 | 174.6 | -156.2 | 48.2 | 83.8 | 0 | 0 | 111.9 | D410 A411 F993 I994 F1097 T1098 E1099 H1100 A1104 L1105 C1106 V1140 F1145 V1147 F1149 | D410-M1102 VanDerWaalsContact C-N 3.33Å; D410-M1102 HydrophobicContact CB-CB 3.84Å; D410-M1102 WeakPolarHBondContact OD1-CB 3.35Å; D410-M1102 WeakPolarHBondContact OD2-CB 3.48Å; A411-M1102 WeakPolarHBondContact O-CE 3.2Å; F993-M1102 HydrophobicContact CE1-CB 4.32Å; I994-M1102 HydrophobicContact CD1-CG 3.79Å; I994-M1102 HydrophobicContact CD1-SD 4.34Å; F1097-M1102 HydrophobicContact CB-CE 4.1Å; F1097-M1102 HydrophobicContact CB-CG 4.23Å; F1097-M1102 HydrophobicContact CD1-CE 3.82Å; F1097-M1102 HydrophobicContact CD1-CG 4.03Å; F1097-M1102 HydrophobicContact CD1-SD 4.05Å; F1097-M1102 HydrophobicContact CD2-CE 4.27Å; F1097-M1102 HydrophobicContact CE1-CE 4.33Å; F1097-M1102 HydrophobicContact CG-CE 4.01Å; T1098-M1102 WeakPolarHBondContact O-CB 3.48Å; T1098-M1102 PolarHBondContact O-N 3.07Å; E1099-M1102 PolarHBondContact O-N 3.34Å; H1100-M1102 VanDerWaalsContact C-N 3.3Å; H1100-M1102 PolarHBondContact O-N 3.01Å; M1102-A1104 VanDerWaalsContact C-N 3.29Å; M1102-A1104 PolarHBondContact O-N 3.28Å; M1102-L1105 HydrophobicContact CE-CD2 4.16Å; M1102-L1105 CarbonylContact O-C 3.52Å; M1102-L1105 WeakPolarHBondContact O-CA 3.5Å; M1102-L1105 WeakPolarHBondContact O-CB 3.29Å; M1102-L1105 PolarHBondContact O-N 3.2Å; M1102-L1105 HydrophobicContact SD-CB 4.42Å; M1102-L1105 HydrophobicContact SD-CD2 4.05Å; M1102-C1106 PolarHBondContact O-N 3.13Å; M1102-C1106 VanDerWaalsContact O-N 3.16Å; M1102-C1106 PolarHBondContact O-SG 3.24Å; M1102-C1106 VanDerWaalsContact O-SG 3.35Å; M1102-V1140 HydrophobicContact CE-CB 4.38Å; M1102-V1140 HydrophobicContact CE-CG1 4.18Å; M1102-V1140 HydrophobicContact CE-CG2 4.49Å; M1102-V1140 HydrophobicContact SD-CG2 4.48Å; M1102-F1145 HydrophobicContact CB-CE1 4.32Å; M1102-F1145 HydrophobicContact CB-CE2 4.4Å; M1102-F1145 HydrophobicContact CB-CZ 4.22Å; M1102-F1145 HydrophobicContact CE-CB 3.78Å; M1102-F1145 HydrophobicContact CE-CD1 4Å; M1102-F1145 HydrophobicContact CE-CD2 4.22Å; M1102-F1145 HydrophobicContact CE-CE1 4.47Å; M1102-F1145 HydrophobicContact CE-CG 3.83Å; M1102-F1145 HydrophobicContact CG-CD1 4.1Å; M1102-F1145 HydrophobicContact CG-CD2 3.8Å; M1102-F1145 HydrophobicContact CG-CE1 4.07Å; M1102-F1145 HydrophobicContact CG-CE2 3.82Å; M1102-F1145 HydrophobicContact CG-CG 4.19Å; M1102-F1145 HydrophobicContact CG-CZ 4.13Å; M1102-F1145 HydrophobicContact SD-CB 4.4Å; M1102-F1145 HydrophobicContact SD-CG 4.28Å; M1102-V1147 HydrophobicContact CE-CG2 3.98Å; M1102-V1147 HydrophobicContact SD-CG2 3.92Å; M1102-F1149 HydrophobicContact SD-CE2 4.35Å; M1102-F1149 HydrophobicContact SD-CZ 4.26Å |
| 1103 | S | 86.6 | Confident | 79.3 | Confident | 34.8 Ų | 34.8 | 42.7 Ų | 42.7 | 24% | 0.243 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -59.8 | -43.6 | 170.8 | -60.6 | 0 | 0 | 0 | 0 | 111.2 | F993 I997 E1099 H1100 L1105 C1106 D1107 | F993-S1103 WeakPolarHBondContact CZ-OG 3.36Å; I997-S1103 WeakPolarHBondContact CD1-OG 3.16Å; E1099-S1103 WeakPolarHBondContact O-CB 3.34Å; E1099-S1103 PolarHBondContact O-N 3.03Å; E1099-S1103 PolarHBondContact O-OG 2.87Å; H1100-S1103 WeakPolarHBondContact O-CB 3.48Å; H1100-S1103 PolarHBondContact O-N 3.06Å; S1103-L1105 VanDerWaalsContact C-N 3.29Å; S1103-L1105 PolarHBondContact O-N 3.23Å; S1103-C1106 CarbonylContact O-C 3.56Å; S1103-C1106 WeakPolarHBondContact O-CB 3.31Å; S1103-C1106 PolarHBondContact O-N 3.18Å; S1103-C1106 VanDerWaalsContact O-N 3.12Å; S1103-D1107 WeakPolarHBondContact O-CB 3.49Å; S1103-D1107 PolarHBondContact O-N 3.19Å |
| 1104 | A | 82.8 | Confident | 77.4 | Confident | 21.4 Ų | 21.4 | 45.7 Ų | 45.7 | 18% | 0.177 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -67.5 | -25.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | H1100 D1101 M1102 C1106 D1107 T1112 | H1100-A1104 WeakPolarHBondContact O-CB 3.27Å; H1100-A1104 PolarHBondContact O-N 3.13Å; D1101-A1104 HydrophobicContact CB-CB 4.14Å; D1101-A1104 CarbonylContact O-C 3.55Å; D1101-A1104 VanDerWaalsContact O-C 3.31Å; D1101-A1104 WeakPolarHBondContact O-CA 3.31Å; D1101-A1104 WeakPolarHBondContact O-CB 3.49Å; D1101-A1104 PolarHBondContact O-N 3.1Å; M1102-A1104 VanDerWaalsContact C-N 3.29Å; M1102-A1104 PolarHBondContact O-N 3.28Å; A1104-C1106 VanDerWaalsContact C-N 3.29Å; A1104-C1106 PolarHBondContact O-N 2.99Å; A1104-D1107 PolarHBondContact O-N 3.2Å; A1104-T1112 HydrophobicContact CB-CG2 3.71Å; A1104-T1112 VanDerWaalsContact CB-CG2 3.43Å |
| 1105 | L | 84.8 | Confident | 75.4 | Confident | 16.2 Ų | 16.2 | 48.6 Ų | 48.6 | 9% | 0.085 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -71.6 | -29.2 | 172 | -167.2 | 68 | 0 | 0 | 0 | 112.1 | A411 F1097 D1101 M1102 S1103 D1107 F1128 K1129 V1140 F1149 | A411-L1105 HydrophobicContact CB-CB 4.28Å; A411-L1105 HydrophobicContact CB-CD2 4.43Å; F1097-L1105 HydrophobicContact CE1-CB 4.45Å; F1097-L1105 HydrophobicContact CE1-CD1 4.41Å; F1097-L1105 HydrophobicContact CE1-CD2 3.95Å; F1097-L1105 HydrophobicContact CE1-CG 4.48Å; F1097-L1105 HydrophobicContact CZ-CD2 4.35Å; D1101-L1105 WeakPolarHBondContact O-CB 3.4Å; D1101-L1105 PolarHBondContact O-N 3.16Å; M1102-L1105 HydrophobicContact CE-CD2 4.16Å; M1102-L1105 CarbonylContact O-C 3.52Å; M1102-L1105 WeakPolarHBondContact O-CA 3.5Å; M1102-L1105 WeakPolarHBondContact O-CB 3.29Å; M1102-L1105 PolarHBondContact O-N 3.2Å; M1102-L1105 HydrophobicContact SD-CB 4.42Å; M1102-L1105 HydrophobicContact SD-CD2 4.05Å; S1103-L1105 VanDerWaalsContact C-N 3.29Å; S1103-L1105 PolarHBondContact O-N 3.23Å; L1105-D1107 VanDerWaalsContact C-N 3.33Å; L1105-D1107 PolarHBondContact O-N 2.79Å; L1105-F1128 HydrophobicContact CD1-CB 3.74Å; L1105-F1128 HydrophobicContact CD1-CD1 3.41Å; L1105-F1128 VanDerWaalsContact CD1-CD1 3.44Å; L1105-F1128 HydrophobicContact CD1-CD2 4.21Å; L1105-F1128 HydrophobicContact CD1-CE1 4.02Å; L1105-F1128 HydrophobicContact CD1-CG 3.66Å; L1105-F1128 HydrophobicContact CD2-CD1 4.46Å; L1105-F1128 HydrophobicContact CD2-CE1 4.29Å; L1105-F1128 HydrophobicContact CG-CD1 4.05Å; L1105-F1128 HydrophobicContact CG-CE1 4.28Å; L1105-K1129 WeakPolarHBondContact O-CE 3.4Å; L1105-K1129 PolarHBondContact O-NZ 3.33Å; L1105-V1140 HydrophobicContact CD2-CG2 4.05Å; L1105-F1149 HydrophobicContact CD2-CE2 3.7Å; L1105-F1149 HydrophobicContact CD2-CZ 3.8Å; L1105-F1149 HydrophobicContact CG-CE1 4.33Å; L1105-F1149 HydrophobicContact CG-CE2 4.28Å; L1105-F1149 HydrophobicContact CG-CZ 4.04Å |
| 1106 | C | 83.2 | Confident | 74 | Confident | 5.8 Ų | 5.8 | 48.8 Ų | 48.8 | 4% | 0.039 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.9 | -6.5 | 177.1 | -60.3 | 0 | 0 | 0 | 0 | 113.5 | I997 F1002 M1102 S1103 A1104 L1168 P1170 | I997-C1106 HydrophobicContact CG2-CB 4.39Å; F1002-C1106 HydrophobicContact CE2-CB 4.32Å; F1002-C1106 HydrophobicContact CZ-CB 4.33Å; F1002-C1106 WeakPolarHBondContact CZ-O 3.49Å; M1102-C1106 PolarHBondContact O-N 3.13Å; M1102-C1106 VanDerWaalsContact O-N 3.16Å; M1102-C1106 PolarHBondContact O-SG 3.24Å; M1102-C1106 VanDerWaalsContact O-SG 3.35Å; S1103-C1106 CarbonylContact O-C 3.56Å; S1103-C1106 WeakPolarHBondContact O-CB 3.31Å; S1103-C1106 PolarHBondContact O-N 3.18Å; S1103-C1106 VanDerWaalsContact O-N 3.12Å; A1104-C1106 VanDerWaalsContact C-N 3.29Å; A1104-C1106 PolarHBondContact O-N 2.99Å; C1106-L1168 VanDerWaalsContact CA-O 3.29Å; C1106-L1168 WeakPolarHBondContact CA-O 3.38Å; C1106-L1168 VanDerWaalsContact CB-O 3.31Å; C1106-L1168 WeakPolarHBondContact CB-O 3.29Å; C1106-L1168 VanDerWaalsContact O-CB 3.31Å; C1106-L1168 WeakPolarHBondContact O-CB 3.41Å; C1106-L1168 WeakPolarHBondContact O-CD2 3.47Å; C1106-L1168 PolarHBondContact SG-O 2.93Å; C1106-P1170 VanDerWaalsContact SG-CD 3.56Å; C1106-P1170 VanDerWaalsContact SG-CG 3.56Å; C1106-P1170 WeakPolarHBondContact SG-CG 3.45Å |
| 1107 | D | 77.2 | Confident | 72.7 | Confident | 59 Ų | 59 | 49.8 Ų | 49.8 | 32% | 0.316 | 28% | 0.276 | S | S | . | . | S | Bend | trans | -105.8 | 172.6 | -179.9 | -156.9 | -7.4 | 0 | 0 | 0 | 112.1 | S1103 A1104 L1105 Q1110 K1129 | S1103-D1107 WeakPolarHBondContact O-CB 3.49Å; S1103-D1107 PolarHBondContact O-N 3.19Å; A1104-D1107 PolarHBondContact O-N 3.2Å; L1105-D1107 VanDerWaalsContact C-N 3.33Å; L1105-D1107 PolarHBondContact O-N 2.79Å; D1107-Q1110 HydrophobicContact CB-CB 4.23Å; D1107-Q1110 VanDerWaalsContact OD2-CB 3.31Å; D1107-Q1110 WeakPolarHBondContact OD2-CB 3.37Å; D1107-Q1110 VanDerWaalsContact OD2-CG 3.26Å; D1107-Q1110 WeakPolarHBondContact OD2-CG 3.38Å; D1107-Q1110 PolarHBondContact OD2-NE2 3.21Å; D1107-Q1110 PolarHBondContact OD2-OE1 3.37Å; D1107-K1129 PolarHBondContact O-NZ 2.86Å |
| 1108 | I | 70 | Confident | 71.1 | Confident | 54.4 Ų | 54.4 | 52.9 Ų | 52.9 | 28% | 0.279 | 29% | 0.294 | S | S | . | . | S | Bend | trans | -116.4 | 126.4 | 172.8 | -49.7 | 172.2 | 0 | 0 | 0 | 109.2 | L1023 L1027 Q1110 I1126 L1168 | L1023-I1108 HydrophobicContact CD1-CD1 3.56Å; L1023-I1108 HydrophobicContact CD2-CD1 3.87Å; L1023-I1108 HydrophobicContact CG-CD1 3.69Å; L1027-I1108 HydrophobicContact CD1-CD1 3.63Å; L1027-I1108 VanDerWaalsContact CD1-CD1 3.49Å; L1027-I1108 HydrophobicContact CD1-CG1 4Å; L1027-I1108 HydrophobicContact CD2-CD1 3.79Å; L1027-I1108 HydrophobicContact CD2-CG1 3.97Å; L1027-I1108 HydrophobicContact CD2-CG2 4.16Å; L1027-I1108 HydrophobicContact CG-CD1 3.76Å; L1027-I1108 HydrophobicContact CG-CG1 4.34Å; I1108-Q1110 PolarHBondContact O-N 3.16Å; I1108-Q1110 VanDerWaalsContact O-N 3.17Å; I1108-I1126 HydrophobicContact CG2-CG2 4.28Å; I1108-L1168 HydrophobicContact CD1-CD1 3.89Å; I1108-L1168 HydrophobicContact CD1-CD2 4.44Å; I1108-L1168 HydrophobicContact CD1-CG 4.39Å; I1108-L1168 HydrophobicContact CG1-CD1 3.7Å; I1108-L1168 VanDerWaalsContact CG1-CD1 3.49Å; I1108-L1168 HydrophobicContact CG1-CD2 3.89Å; I1108-L1168 HydrophobicContact CG1-CG 4.22Å |
| 1109 | G | 61.6 | Low | 69.5 | Low | 44.2 Ų | 44.2 | 52.8 Ų | 52.8 | 46% | 0.456 | 30% | 0.298 | S | S | . | . | S | Bend | trans | 77.8 | -15.4 | 168.9 | 0 | 0 | 0 | 0 | 0 | 115 | S1111 K1124 G1125 | G1109-S1111 PolarHBondContact O-N 3.24Å; G1109-K1124 WeakPolarHBondContact CA-O 3.17Å; G1109-G1125 PolarHBondContact N-O 2.99Å |
| 1110 | Q | 56.6 | Low | 68.3 | Low | 127.4 Ų | 127.4 | 51.1 Ų | 51.1 | 60% | 0.595 | 29% | 0.289 | S | S | * | . | trans | -75.6 | 98.9 | 167.9 | -86.7 | -157 | 60.1 | 0 | 0 | 110.8 | D1107 I1108 T1112 | D1107-Q1110 HydrophobicContact CB-CB 4.23Å; D1107-Q1110 VanDerWaalsContact OD2-CB 3.31Å; D1107-Q1110 WeakPolarHBondContact OD2-CB 3.37Å; D1107-Q1110 VanDerWaalsContact OD2-CG 3.26Å; D1107-Q1110 WeakPolarHBondContact OD2-CG 3.38Å; D1107-Q1110 PolarHBondContact OD2-NE2 3.21Å; D1107-Q1110 PolarHBondContact OD2-OE1 3.37Å; I1108-Q1110 PolarHBondContact O-N 3.16Å; I1108-Q1110 VanDerWaalsContact O-N 3.17Å; Q1110-T1112 PolarHBondContact O-N 3.05Å | ||
| 1111 | S | 56.9 | Low | 66.9 | Low | 21.4 Ų | 21.4 | 46.6 Ų | 46.6 | 15% | 0.15 | 27% | 0.268 | C | S | . | . | trans | -98.8 | 120.2 | 170.6 | -173.9 | 0 | 0 | 0 | 0 | 109.8 | G1109 K1113 V1114 G1122 R1123 | G1109-S1111 PolarHBondContact O-N 3.24Å; S1111-K1113 PolarHBondContact O-N 3.08Å; S1111-K1113 VanDerWaalsContact OG-CB 3.3Å; S1111-K1113 WeakPolarHBondContact OG-CB 3.32Å; S1111-K1113 WeakPolarHBondContact OG-CG 3.42Å; S1111-K1113 PolarHBondContact OG-N 3Å; S1111-V1114 VanDerWaalsContact O-CG2 3.3Å; S1111-V1114 WeakPolarHBondContact O-CG2 3.36Å; S1111-V1114 PolarHBondContact O-N 3.2Å; S1111-V1114 VanDerWaalsContact O-N 3.15Å; S1111-G1122 PolarHBondContact OG-O 2.92Å; S1111-R1123 VanDerWaalsContact CB-C 3.47Å; S1111-R1123 VanDerWaalsContact CB-O 3.23Å; S1111-R1123 WeakPolarHBondContact CB-O 3.29Å; S1111-R1123 WeakPolarHBondContact OG-CA 3.28Å; S1111-R1123 PolarHBondContact OG-O 3.13Å | ||
| 1112 | T | 53 | Low | 65.4 | Low | 33.2 Ų | 33.2 | 44.8 Ų | 44.8 | 20% | 0.204 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -6.6 | 172.2 | 63.3 | 0 | 0 | 0 | 0 | 113.2 | H1100 A1104 Q1110 | H1100-T1112 WeakPolarHBondContact CD2-CG2 3.37Å; H1100-T1112 WeakPolarHBondContact NE2-CB 3.12Å; H1100-T1112 VanDerWaalsContact NE2-CG2 3.28Å; H1100-T1112 WeakPolarHBondContact NE2-CG2 3.38Å; A1104-T1112 HydrophobicContact CB-CG2 3.71Å; A1104-T1112 VanDerWaalsContact CB-CG2 3.43Å; Q1110-T1112 PolarHBondContact O-N 3.05Å |
| 1113 | K | 60.9 | Low | 63.9 | Low | 27 Ų | 27 | 47.4 Ų | 47.4 | 12% | 0.117 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.3 | -6.6 | -170.6 | -48.6 | -176.9 | 169.8 | -176.4 | 0 | 113.5 | N1048 D1051 S1111 T1115 Q1116 K1120 G1122 | N1048-K1113 PolarHBondContact OD1-NZ 3Å; D1051-K1113 WeakPolarHBondContact OD2-CE 3.25Å; D1051-K1113 IonicContact OD2-NZ 3.07Å; D1051-K1113 PolarHBondContact OD2-NZ 3.09Å; S1111-K1113 PolarHBondContact O-N 3.08Å; S1111-K1113 VanDerWaalsContact OG-CB 3.3Å; S1111-K1113 WeakPolarHBondContact OG-CB 3.32Å; S1111-K1113 WeakPolarHBondContact OG-CG 3.42Å; S1111-K1113 PolarHBondContact OG-N 3Å; K1113-T1115 VanDerWaalsContact C-N 3.28Å; K1113-T1115 PolarHBondContact O-N 3.02Å; K1113-Q1116 CarbonylContact O-C 3.6Å; K1113-Q1116 PolarHBondContact O-N 3.07Å; K1113-K1120 HydrophobicContact CB-CB 4.08Å; K1113-K1120 HydrophobicContact CB-CD 4.06Å; K1113-K1120 HydrophobicContact CD-CB 4.08Å; K1113-K1120 HydrophobicContact CD-CD 3.85Å; K1113-K1120 HydrophobicContact CD-CG 4.46Å; K1113-K1120 HydrophobicContact CG-CB 4.24Å; K1113-K1120 HydrophobicContact CG-CD 3.57Å; K1113-K1120 VanDerWaalsContact CG-CD 3.48Å; K1113-G1122 WeakPolarHBondContact CB-O 3.4Å; K1113-G1122 WeakPolarHBondContact CD-O 3.33Å; K1113-G1122 WeakPolarHBondContact CG-O 3.48Å |
| 1114 | V | 53.2 | Low | 62.6 | Low | 69.4 Ų | 69.4 | 49.1 Ų | 49.1 | 42% | 0.421 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | -34.5 | -174.7 | 173.1 | 0 | 0 | 0 | 0 | 113.3 | S1111 Q1116 | S1111-V1114 VanDerWaalsContact O-CG2 3.3Å; S1111-V1114 WeakPolarHBondContact O-CG2 3.36Å; S1111-V1114 PolarHBondContact O-N 3.2Å; S1111-V1114 VanDerWaalsContact O-N 3.15Å; V1114-Q1116 VanDerWaalsContact C-N 3.33Å |
| 1115 | T | 49.6 | Very low | 61.4 | Low | 120 Ų | 120 | 49.2 Ų | 49.2 | 74% | 0.736 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.2 | -7.5 | 177.5 | 52.1 | 0 | 0 | 0 | 0 | 113.6 | K1113 | K1113-T1115 VanDerWaalsContact C-N 3.28Å; K1113-T1115 PolarHBondContact O-N 3.02Å |
| 1116 | Q | 58.6 | Low | 60.4 | Low | 80.6 Ų | 80.6 | 49.8 Ų | 49.8 | 38% | 0.377 | 28% | 0.279 | S | S | . | . | trans | -109.6 | 41.7 | -173 | -64.7 | -175.2 | -8.9 | 0 | 0 | 111.8 | K1113 V1114 D1118 A1119 K1120 | K1113-Q1116 CarbonylContact O-C 3.6Å; K1113-Q1116 PolarHBondContact O-N 3.07Å; V1114-Q1116 VanDerWaalsContact C-N 3.33Å; Q1116-D1118 VanDerWaalsContact C-N 3.25Å; Q1116-D1118 PolarHBondContact O-N 3.07Å; Q1116-D1118 VanDerWaalsContact O-N 3.13Å; Q1116-A1119 HydrophobicContact CB-CB 4.37Å; Q1116-A1119 PolarHBondContact O-N 3.07Å; Q1116-K1120 HydrophobicContact CB-CD 4.44Å; Q1116-K1120 HydrophobicContact CB-CG 4.39Å; Q1116-K1120 PolarHBondContact O-N 3.06Å; Q1116-K1120 VanDerWaalsContact OE1-CD 3.28Å; Q1116-K1120 VanDerWaalsContact OE1-CE 3.25Å; Q1116-K1120 VanDerWaalsContact OE1-NZ 3.09Å | ||
| 1117 | R | 61.4 | Low | 59.9 | Low | 28.8 Ų | 28.8 | 49.9 Ų | 49.9 | 11% | 0.109 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -51.6 | -41.1 | -178 | -127.9 | -175.7 | 171.6 | -173.9 | 1.8 | 112.5 | A1119 R1123 N1320 P1322 D1362 D1364 W1378 | R1117-A1119 VanDerWaalsContact C-N 3.3Å; R1117-A1119 PolarHBondContact O-N 3.26Å; R1117-R1123 VanDerWaalsContact CG-CZ 3.42Å; R1117-R1123 VanDerWaalsContact CZ-NH1 3.3Å; R1117-R1123 VanDerWaalsContact NE-NH1 3.12Å; R1117-R1123 VanDerWaalsContact NH2-NH1 3.18Å; R1117-R1123 PolarHBondContact O-NH2 3.24Å; R1117-R1123 VanDerWaalsContact O-NH2 3.15Å; R1117-N1320 WeakPolarHBondContact CD-O 3.46Å; R1117-N1320 PolarHBondContact NE-O 3.19Å; R1117-N1320 PolarHBondContact NH1-O 3.23Å; R1117-N1320 VanDerWaalsContact NH1-O 3.13Å; R1117-P1322 HydrophobicContact CB-CB 4.42Å; R1117-P1322 HydrophobicContact CG-CB 4.44Å; R1117-D1362 IonicContact CZ-OD2 3.28Å; R1117-D1362 VanDerWaalsContact CZ-OD2 3.25Å; R1117-D1362 IonicContact NE-OD1 3.22Å; R1117-D1362 IonicContact NE-OD2 3.24Å; R1117-D1362 PolarHBondContact NE-OD2 3.22Å; R1117-D1362 IonicContact NH1-OD2 2.72Å; R1117-D1362 PolarHBondContact NH1-OD2 2.99Å; R1117-D1362 PolarHBondContact NH2-O 2.92Å; R1117-D1362 IonicContact NH2-OD1 3.17Å; R1117-D1362 IonicContact NH2-OD2 3.26Å; R1117-D1362 PolarHBondContact NH2-OD2 3.05Å; R1117-D1364 IonicContact CZ-OD1 3.4Å; R1117-D1364 IonicContact NH1-OD1 3.34Å; R1117-D1364 IonicContact NH2-OD1 3.17Å; R1117-D1364 PolarHBondContact NH2-OD1 3.19Å; R1117-W1378 VanDerWaalsContact NH2-CE2 3.33Å; R1117-W1378 VanDerWaalsContact NH2-NE1 3.17Å |
| 1118 | D | 58.1 | Low | 60.1 | Low | 94.6 Ų | 94.6 | 47.8 Ų | 47.8 | 51% | 0.506 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | -27.9 | -179.6 | -54.1 | -2.2 | 0 | 0 | 0 | 112.6 | Q1116 R1237 P1322 | Q1116-D1118 VanDerWaalsContact C-N 3.25Å; Q1116-D1118 PolarHBondContact O-N 3.07Å; Q1116-D1118 VanDerWaalsContact O-N 3.13Å; D1118-R1237 PolarHBondContact O-NH1 3.15Å; D1118-R1237 PolarHBondContact O-NH2 2.9Å; D1118-P1322 WeakPolarHBondContact OD1-CB 3.37Å |
| 1119 | A | 56.6 | Low | 60.6 | Low | 42.2 Ų | 42.2 | 45.8 Ų | 45.8 | 35% | 0.349 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110.4 | -25.6 | -168.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | Q1116 R1117 R1237 | Q1116-A1119 HydrophobicContact CB-CB 4.37Å; Q1116-A1119 PolarHBondContact O-N 3.07Å; R1117-A1119 VanDerWaalsContact C-N 3.3Å; R1117-A1119 PolarHBondContact O-N 3.26Å; A1119-R1237 VanDerWaalsContact C-NH1 3.29Å; A1119-R1237 PolarHBondContact O-NH1 3.08Å; A1119-R1237 VanDerWaalsContact O-NH1 3.12Å; A1119-R1237 PolarHBondContact O-NH2 3.48Å |
| 1120 | K | 62.5 | Low | 61.6 | Low | 40.8 Ų | 40.8 | 43.8 Ų | 43.8 | 18% | 0.177 | 24% | 0.238 | C | C | . | . | trans | -132.3 | 142.6 | -175.2 | -64.4 | -174 | 178.3 | 170.5 | 0 | 113 | D1051 K1113 Q1116 R1237 | D1051-K1120 HydrophobicContact CB-CG 4.34Å; D1051-K1120 VanDerWaalsContact OD1-CA 3.28Å; D1051-K1120 WeakPolarHBondContact OD1-CA 3.38Å; K1113-K1120 HydrophobicContact CB-CB 4.08Å; K1113-K1120 HydrophobicContact CB-CD 4.06Å; K1113-K1120 HydrophobicContact CD-CB 4.08Å; K1113-K1120 HydrophobicContact CD-CD 3.85Å; K1113-K1120 HydrophobicContact CD-CG 4.46Å; K1113-K1120 HydrophobicContact CG-CB 4.24Å; K1113-K1120 HydrophobicContact CG-CD 3.57Å; K1113-K1120 VanDerWaalsContact CG-CD 3.48Å; Q1116-K1120 HydrophobicContact CB-CD 4.44Å; Q1116-K1120 HydrophobicContact CB-CG 4.39Å; Q1116-K1120 PolarHBondContact O-N 3.06Å; Q1116-K1120 VanDerWaalsContact OE1-CD 3.28Å; Q1116-K1120 VanDerWaalsContact OE1-CE 3.25Å; Q1116-K1120 VanDerWaalsContact OE1-NZ 3.09Å; K1120-R1237 VanDerWaalsContact N-NH1 3.16Å | ||
| 1121 | I | 56.1 | Low | 63 | Low | 13.2 Ų | 13.2 | 37.7 Ų | 37.7 | 7% | 0.068 | 21% | 0.209 | C | C | . | . | S | Bend | trans | -88.1 | -40.7 | -175.8 | -48.3 | 165.5 | 0 | 0 | 0 | 110.9 | Q1047 D1050 D1051 R1123 R1237 Y1347 | Q1047-I1121 HydrophobicContact CG-CB 3.93Å; Q1047-I1121 HydrophobicContact CG-CD1 4.31Å; Q1047-I1121 HydrophobicContact CG-CG2 4.15Å; Q1047-I1121 PolarHBondContact NE2-O 2.87Å; D1050-I1121 HydrophobicContact CB-CD1 4.48Å; D1050-I1121 VanDerWaalsContact OD2-CD1 3.28Å; D1050-I1121 WeakPolarHBondContact OD2-CD1 3.19Å; D1051-I1121 PolarHBondContact OD1-N 3.1Å; D1051-I1121 PolarHBondContact OD2-N 2.96Å; I1121-R1123 PolarHBondContact O-N 3.17Å; I1121-R1237 HydrophobicContact CD1-CG 4.43Å; I1121-Y1347 HydrophobicContact CD1-CD2 4.43Å; I1121-Y1347 HydrophobicContact CD1-CG 4.04Å; I1121-Y1347 HydrophobicContact CG1-CD2 4.13Å; I1121-Y1347 HydrophobicContact CG1-CG 4.07Å; I1121-Y1347 HydrophobicContact CG2-CD2 3.99Å; I1121-Y1347 HydrophobicContact CG2-CG 4.39Å |
| 1122 | G | 55.8 | Low | 64.3 | Low | 5.8 Ų | 5.8 | 36.8 Ų | 36.8 | 6% | 0.06 | 20% | 0.202 | C | C | . | . | trans | -72.7 | 132.9 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q1047 D1051 S1111 K1113 | Q1047-G1122 VanDerWaalsContact NE2-CA 3.34Å; Q1047-G1122 VanDerWaalsContact NE2-N 3.16Å; D1051-G1122 PolarHBondContact OD2-N 3.04Å; D1051-G1122 VanDerWaalsContact OD2-N 3.11Å; S1111-G1122 PolarHBondContact OG-O 2.92Å; K1113-G1122 WeakPolarHBondContact CB-O 3.4Å; K1113-G1122 WeakPolarHBondContact CD-O 3.33Å; K1113-G1122 WeakPolarHBondContact CG-O 3.48Å | ||
| 1123 | R | 57.1 | Low | 65.5 | Low | 55.6 Ų | 55.6 | 37.3 Ų | 37.3 | 21% | 0.21 | 20% | 0.204 | C | C | . | . | trans | -134.2 | -18.2 | -177.1 | -62.6 | 178.9 | -169.3 | 153 | 6.8 | 116.7 | S1111 R1117 I1121 D1362 D1364 | S1111-R1123 VanDerWaalsContact CB-C 3.47Å; S1111-R1123 VanDerWaalsContact CB-O 3.23Å; S1111-R1123 WeakPolarHBondContact CB-O 3.29Å; S1111-R1123 WeakPolarHBondContact OG-CA 3.28Å; S1111-R1123 PolarHBondContact OG-O 3.13Å; R1117-R1123 VanDerWaalsContact CG-CZ 3.42Å; R1117-R1123 VanDerWaalsContact CZ-NH1 3.3Å; R1117-R1123 VanDerWaalsContact NE-NH1 3.12Å; R1117-R1123 VanDerWaalsContact NH2-NH1 3.18Å; R1117-R1123 PolarHBondContact O-NH2 3.24Å; R1117-R1123 VanDerWaalsContact O-NH2 3.15Å; I1121-R1123 PolarHBondContact O-N 3.17Å; R1123-D1362 IonicContact CZ-OD1 3.03Å; R1123-D1362 VanDerWaalsContact CZ-OD1 3.28Å; R1123-D1362 IonicContact CZ-OD2 2.91Å; R1123-D1362 IonicContact NH1-OD1 3.39Å; R1123-D1362 PolarHBondContact NH1-OD1 3.11Å; R1123-D1362 VanDerWaalsContact NH1-OD1 3.14Å; R1123-D1362 IonicContact NH1-OD2 3.35Å; R1123-D1362 PolarHBondContact NH1-OD2 3.47Å; R1123-D1362 VanDerWaalsContact NH2-CG 3.3Å; R1123-D1362 IonicContact NH2-OD1 3.7Å; R1123-D1362 PolarHBondContact NH2-OD1 3.17Å; R1123-D1362 IonicContact NH2-OD2 3.54Å; R1123-D1362 PolarHBondContact NH2-OD2 3.17Å; R1123-D1362 VanDerWaalsContact NH2-OD2 3.15Å; R1123-D1364 IonicContact NH1-OD1 2.74Å; R1123-D1364 PolarHBondContact NH1-OD1 3.43Å | ||
| 1124 | K | 58.3 | Low | 66.6 | Low | 70 Ų | 70 | 36.3 Ų | 36.3 | 30% | 0.304 | 20% | 0.2 | S | C | . | . | S | Bend | trans | -94.8 | -6.2 | -166.5 | -60.3 | -169.8 | -179.1 | -173 | 0 | 115.6 | G1109 I1126 L1365 T1366 | G1109-K1124 WeakPolarHBondContact CA-O 3.17Å; K1124-I1126 HydrophobicContact CB-CD1 4.42Å; K1124-I1126 HydrophobicContact CB-CG1 3.99Å; K1124-I1126 PolarHBondContact O-N 3.18Å; K1124-I1126 VanDerWaalsContact O-N 3.13Å; K1124-L1365 PolarHBondContact NZ-O 2.95Å; K1124-T1366 VanDerWaalsContact NZ-C 3.31Å; K1124-T1366 PolarHBondContact NZ-O 3.26Å |
| 1125 | G | 58.5 | Low | 68.1 | Low | 24.4 Ų | 24.4 | 33 Ų | 33 | 25% | 0.252 | 18% | 0.18 | S | C | . | . | S | Bend | trans | 67.2 | 6.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 116.2 | G1109 | G1109-G1125 PolarHBondContact N-O 2.99Š|
| 1126 | I | 64.1 | Low | 69.7 | Low | 28.2 Ų | 28.2 | 29.1 Ų | 29.1 | 15% | 0.145 | 15% | 0.154 | C | C | . | . | trans | -111.6 | -12.2 | -179.5 | 56.8 | 166.2 | 0 | 0 | 0 | 113.8 | L1030 L1034 Y1035 I1108 K1124 F1128 K1129 | L1030-I1126 HydrophobicContact CD2-CD1 4.33Å; L1030-I1126 HydrophobicContact CD2-CG2 4.31Å; L1034-I1126 HydrophobicContact CD1-CD1 3.72Å; L1034-I1126 VanDerWaalsContact CD1-CD1 3.48Å; L1034-I1126 HydrophobicContact CD2-CD1 3.6Å; Y1035-I1126 VanDerWaalsContact OH-CD1 3.29Å; Y1035-I1126 WeakPolarHBondContact OH-CD1 3.29Å; Y1035-I1126 VanDerWaalsContact OH-CG1 3.28Å; Y1035-I1126 WeakPolarHBondContact OH-CG1 3.39Å; I1108-I1126 HydrophobicContact CG2-CG2 4.28Å; K1124-I1126 HydrophobicContact CB-CD1 4.42Å; K1124-I1126 HydrophobicContact CB-CG1 3.99Å; K1124-I1126 PolarHBondContact O-N 3.18Å; K1124-I1126 VanDerWaalsContact O-N 3.13Å; I1126-F1128 VanDerWaalsContact C-N 3.25Å; I1126-F1128 CarbonylContact O-C 3.01Å; I1126-F1128 PolarHBondContact O-N 3.02Å; I1126-F1128 VanDerWaalsContact O-N 3.09Å; I1126-K1129 WeakPolarHBondContact O-CB 3.33Å; I1126-K1129 PolarHBondContact O-N 3.1Å; I1126-K1129 VanDerWaalsContact O-N 3.09Å | ||
| 1127 | G | 72 | Confident | 71 | Confident | 7.8 Ų | 7.8 | 26.6 Ų | 26.6 | 8% | 0.08 | 15% | 0.145 | C | C | . | . | G | 310 helix | trans | -57 | -45.8 | -164.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | E1044 K1129 S1130 | E1044-G1127 VanDerWaalsContact CB-O 3.31Å; E1044-G1127 WeakPolarHBondContact CB-O 3.11Å; E1044-G1127 VanDerWaalsContact CG-O 3.28Å; E1044-G1127 WeakPolarHBondContact CG-O 3.45Å; E1044-G1127 WeakPolarHBondContact OE1-CA 3.03Å; E1044-G1127 VanDerWaalsContact OE2-CA 3.28Å; E1044-G1127 WeakPolarHBondContact OE2-CA 3.29Å; G1127-K1129 PolarHBondContact O-N 3.08Å; G1127-K1129 VanDerWaalsContact O-N 3.13Å; G1127-S1130 VanDerWaalsContact O-CB 3.31Å; G1127-S1130 WeakPolarHBondContact O-CB 3.46Å; G1127-S1130 PolarHBondContact O-N 3.09Å; G1127-S1130 VanDerWaalsContact O-N 3.12Å; G1127-S1130 PolarHBondContact O-OG 3.02Å |
| 1128 | F | 80.8 | Confident | 72.4 | Confident | 15.8 Ų | 15.8 | 25.2 Ų | 25.2 | 7% | 0.069 | 14% | 0.14 | C | C | . | . | G | 310 helix | trans | -59.2 | -34.4 | 176.9 | 176.9 | -106.4 | 0 | 0 | 0 | 112.7 | I412 T413 T414 L1045 L1105 I1126 S1130 V1131 F1132 P1138 V1140 F1149 F1196 | I412-F1128 HydrophobicContact CB-CD2 4.46Å; I412-F1128 HydrophobicContact CG2-CB 4.12Å; I412-F1128 HydrophobicContact CG2-CD1 3.77Å; I412-F1128 HydrophobicContact CG2-CD2 2.94Å; I412-F1128 HydrophobicContact CG2-CE1 3.91Å; I412-F1128 HydrophobicContact CG2-CE2 3.12Å; I412-F1128 HydrophobicContact CG2-CG 3.27Å; I412-F1128 HydrophobicContact CG2-CZ 3.61Å; T413-F1128 WeakPolarHBondContact O-CE2 3.26Å; T413-F1128 WeakPolarHBondContact O-CZ 3.23Å; T413-F1128 WeakPolarHBondContact OG1-CE1 3.47Å; T413-F1128 WeakPolarHBondContact OG1-CZ 3.15Å; T414-F1128 HydrophobicContact CG2-CZ 4.13Å; L1045-F1128 HydrophobicContact CD2-CE2 4.38Å; L1105-F1128 HydrophobicContact CD1-CB 3.74Å; L1105-F1128 HydrophobicContact CD1-CD1 3.41Å; L1105-F1128 VanDerWaalsContact CD1-CD1 3.44Å; L1105-F1128 HydrophobicContact CD1-CD2 4.21Å; L1105-F1128 HydrophobicContact CD1-CE1 4.02Å; L1105-F1128 HydrophobicContact CD1-CG 3.66Å; L1105-F1128 HydrophobicContact CD2-CD1 4.46Å; L1105-F1128 HydrophobicContact CD2-CE1 4.29Å; L1105-F1128 HydrophobicContact CG-CD1 4.05Å; L1105-F1128 HydrophobicContact CG-CE1 4.28Å; I1126-F1128 VanDerWaalsContact C-N 3.25Å; I1126-F1128 CarbonylContact O-C 3.01Å; I1126-F1128 PolarHBondContact O-N 3.02Å; I1126-F1128 VanDerWaalsContact O-N 3.09Å; F1128-S1130 PolarHBondContact O-N 3.04Å; F1128-S1130 VanDerWaalsContact O-N 3.12Å; F1128-S1130 PolarHBondContact O-OG 3.05Å; F1128-V1131 HydrophobicContact CD1-CG2 4.14Å; F1128-V1131 HydrophobicContact CD2-CG1 4.28Å; F1128-V1131 HydrophobicContact CD2-CG2 4.06Å; F1128-V1131 HydrophobicContact CE1-CG2 3.64Å; F1128-V1131 HydrophobicContact CE2-CB 4.06Å; F1128-V1131 HydrophobicContact CE2-CG1 4.16Å; F1128-V1131 HydrophobicContact CE2-CG2 4.12Å; F1128-V1131 HydrophobicContact CG-CG2 4.35Å; F1128-V1131 HydrophobicContact CZ-CB 4.21Å; F1128-V1131 HydrophobicContact CZ-CG1 4.25Å; F1128-V1131 HydrophobicContact CZ-CG2 4.1Å; F1128-V1131 WeakPolarHBondContact O-CB 3.33Å; F1128-V1131 VanDerWaalsContact O-CG1 3.22Å; F1128-V1131 WeakPolarHBondContact O-CG1 3.34Å; F1128-V1131 VanDerWaalsContact O-CG2 3.24Å; F1128-V1131 WeakPolarHBondContact O-CG2 3.38Å; F1128-V1131 PolarHBondContact O-N 3.2Å; F1128-V1131 VanDerWaalsContact O-N 3.14Å; F1128-F1132 HydrophobicContact CE1-CE2 4.47Å; F1128-P1138 HydrophobicContact CZ-CB 4.22Å; F1128-P1138 HydrophobicContact CZ-CG 4.45Å; F1128-V1140 HydrophobicContact CE2-CG2 4.28Å; F1128-V1140 HydrophobicContact CZ-CG2 3.92Å; F1128-F1149 HydrophobicContact CE1-CD2 4.15Å; F1128-F1149 HydrophobicContact CE1-CE2 4.23Å; F1128-F1196 HydrophobicContact CD2-CE1 4.03Å; F1128-F1196 HydrophobicContact CD2-CZ 4.4Å; F1128-F1196 AromaticContact CE2-CD1 3.58Å; F1128-F1196 HydrophobicContact CE2-CD1 4.03Å; F1128-F1196 AromaticContact CE2-CE1 3.41Å; F1128-F1196 HydrophobicContact CE2-CE1 3.86Å; F1128-F1196 VanDerWaalsContact CE2-CE1 3.45Å; F1128-F1196 HydrophobicContact CE2-CE2 4.44Å; F1128-F1196 HydrophobicContact CE2-CG 4.41Å; F1128-F1196 HydrophobicContact CE2-CZ 4.22Å; F1128-F1196 HydrophobicContact CZ-CD1 4.18Å; F1128-F1196 HydrophobicContact CZ-CE1 4.11Å |
| 1129 | K | 81.7 | Confident | 74 | Confident | 12.4 Ų | 12.4 | 21 Ų | 21 | 5% | 0.054 | 12% | 0.117 | C | C | . | . | G | 310 helix | trans | -66.7 | -12.7 | -176.5 | -55.6 | -47.2 | -176.3 | -176.3 | 0 | 113 | S1031 L1105 D1107 I1126 G1127 V1131 F1132 I1167 | S1031-K1129 VanDerWaalsContact CB-O 3.3Å; S1031-K1129 WeakPolarHBondContact CB-O 3.38Å; L1105-K1129 WeakPolarHBondContact O-CE 3.4Å; L1105-K1129 PolarHBondContact O-NZ 3.33Å; D1107-K1129 PolarHBondContact O-NZ 2.86Å; I1126-K1129 WeakPolarHBondContact O-CB 3.33Å; I1126-K1129 PolarHBondContact O-N 3.1Å; I1126-K1129 VanDerWaalsContact O-N 3.09Å; G1127-K1129 PolarHBondContact O-N 3.08Å; G1127-K1129 VanDerWaalsContact O-N 3.13Å; K1129-V1131 PolarHBondContact O-N 3.18Å; K1129-V1131 VanDerWaalsContact O-N 3.13Å; K1129-F1132 HydrophobicContact CB-CD2 4.31Å; K1129-F1132 HydrophobicContact CD-CD2 4.36Å; K1129-F1132 HydrophobicContact CD-CE2 3.93Å; K1129-F1132 WeakPolarHBondContact O-CB 3.38Å; K1129-F1132 WeakPolarHBondContact O-CD2 3.32Å; K1129-F1132 PolarHBondContact O-N 2.87Å; K1129-F1132 VanDerWaalsContact O-N 3.14Å; K1129-I1167 HydrophobicContact CB-CG2 4.45Å; K1129-I1167 HydrophobicContact CD-CG2 3.98Å; K1129-I1167 HydrophobicContact CG-CG2 4.3Å; K1129-I1167 PolarHBondContact NZ-O 3.14Å |
| 1130 | S | 81.7 | Confident | 75.7 | Confident | 1.2 Ų | 1.2 | 19 Ų | 19 | 1% | 0.008 | 10% | 0.1 | C | C | . | . | G | 310 helix | trans | -59.4 | -25.4 | 171 | 65.2 | 0 | 0 | 0 | 0 | 113.6 | F1041 G1127 F1128 F1132 N1133 | F1041-S1130 VanDerWaalsContact CA-OG 3.27Å; F1041-S1130 WeakPolarHBondContact CA-OG 3.39Å; F1041-S1130 VanDerWaalsContact CB-OG 3.27Å; F1041-S1130 WeakPolarHBondContact CB-OG 3.42Å; G1127-S1130 VanDerWaalsContact O-CB 3.31Å; G1127-S1130 WeakPolarHBondContact O-CB 3.46Å; G1127-S1130 PolarHBondContact O-N 3.09Å; G1127-S1130 VanDerWaalsContact O-N 3.12Å; G1127-S1130 PolarHBondContact O-OG 3.02Å; F1128-S1130 PolarHBondContact O-N 3.04Å; F1128-S1130 VanDerWaalsContact O-N 3.12Å; F1128-S1130 PolarHBondContact O-OG 3.05Å; S1130-F1132 PolarHBondContact O-N 3.13Å; S1130-F1132 VanDerWaalsContact O-N 3.14Å; S1130-N1133 WeakPolarHBondContact O-CB 3.37Å; S1130-N1133 VanDerWaalsContact O-CG 3.22Å; S1130-N1133 PolarHBondContact O-N 2.94Å; S1130-N1133 VanDerWaalsContact O-N 3.13Å; S1130-N1133 PolarHBondContact O-ND2 3.44Å |
| 1131 | V | 86 | Confident | 77.1 | Confident | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 10% | 0.095 | C | C | . | . | G | 310 helix | trans | -61.5 | -21.2 | 175.7 | -56.7 | 0 | 0 | 0 | 0 | 112.9 | T414 F1041 L1045 F1128 K1129 N1133 I1134 T1135 P1138 L1198 | T414-V1131 HydrophobicContact CG2-CB 3.36Å; T414-V1131 HydrophobicContact CG2-CG1 4.31Å; T414-V1131 HydrophobicContact CG2-CG2 3.32Å; T414-V1131 WeakPolarHBondContact OG1-CB 3.41Å; F1041-V1131 HydrophobicContact CB-CG1 3.94Å; F1041-V1131 HydrophobicContact CD2-CG1 4.28Å; L1045-V1131 HydrophobicContact CD1-CG1 4.39Å; L1045-V1131 HydrophobicContact CD2-CG1 4.15Å; L1045-V1131 HydrophobicContact CG-CG1 4.37Å; F1128-V1131 HydrophobicContact CD1-CG2 4.14Å; F1128-V1131 HydrophobicContact CD2-CG1 4.28Å; F1128-V1131 HydrophobicContact CD2-CG2 4.06Å; F1128-V1131 HydrophobicContact CE1-CG2 3.64Å; F1128-V1131 HydrophobicContact CE2-CB 4.06Å; F1128-V1131 HydrophobicContact CE2-CG1 4.16Å; F1128-V1131 HydrophobicContact CE2-CG2 4.12Å; F1128-V1131 HydrophobicContact CG-CG2 4.35Å; F1128-V1131 HydrophobicContact CZ-CB 4.21Å; F1128-V1131 HydrophobicContact CZ-CG1 4.25Å; F1128-V1131 HydrophobicContact CZ-CG2 4.1Å; F1128-V1131 WeakPolarHBondContact O-CB 3.33Å; F1128-V1131 VanDerWaalsContact O-CG1 3.22Å; F1128-V1131 WeakPolarHBondContact O-CG1 3.34Å; F1128-V1131 VanDerWaalsContact O-CG2 3.24Å; F1128-V1131 WeakPolarHBondContact O-CG2 3.38Å; F1128-V1131 PolarHBondContact O-N 3.2Å; F1128-V1131 VanDerWaalsContact O-N 3.14Å; K1129-V1131 PolarHBondContact O-N 3.18Å; K1129-V1131 VanDerWaalsContact O-N 3.13Å; V1131-N1133 PolarHBondContact O-N 3.12Å; V1131-N1133 VanDerWaalsContact O-N 3.07Å; V1131-I1134 CarbonylContact O-C 3.57Å; V1131-I1134 VanDerWaalsContact O-CA 3.22Å; V1131-I1134 WeakPolarHBondContact O-CA 3.33Å; V1131-I1134 VanDerWaalsContact O-CG1 3.26Å; V1131-I1134 WeakPolarHBondContact O-CG1 3.31Å; V1131-I1134 PolarHBondContact O-N 3.14Å; V1131-T1135 HydrophobicContact CB-CG2 4.3Å; V1131-T1135 HydrophobicContact CG2-CG2 4.2Å; V1131-T1135 VanDerWaalsContact O-CG2 3.3Å; V1131-T1135 WeakPolarHBondContact O-CG2 3.35Å; V1131-T1135 PolarHBondContact O-N 3.11Å; V1131-T1135 VanDerWaalsContact O-N 3.12Å; V1131-P1138 HydrophobicContact CG2-CB 3.8Å; V1131-P1138 HydrophobicContact CG2-CG 3.97Å; V1131-L1198 HydrophobicContact CB-CD1 4.35Å; V1131-L1198 HydrophobicContact CB-CD2 4.19Å; V1131-L1198 HydrophobicContact CG1-CD1 4.2Å; V1131-L1198 HydrophobicContact CG1-CD2 4.39Å; V1131-L1198 HydrophobicContact CG2-CD2 4.23Å |
| 1132 | F | 83.8 | Confident | 78.9 | Confident | 0.8 Ų | 0.8 | 17.3 Ų | 17.3 | 0% | 0.004 | 9% | 0.093 | C | C | . | . | G | 310 helix | trans | -65.9 | -8.6 | 176.2 | -74.9 | -78.6 | 0 | 0 | 0 | 114.1 | F1128 K1129 S1130 I1134 T1135 P1138 F1149 R1151 I1167 | F1128-F1132 HydrophobicContact CE1-CE2 4.47Å; K1129-F1132 HydrophobicContact CB-CD2 4.31Å; K1129-F1132 HydrophobicContact CD-CD2 4.36Å; K1129-F1132 HydrophobicContact CD-CE2 3.93Å; K1129-F1132 WeakPolarHBondContact O-CB 3.38Å; K1129-F1132 WeakPolarHBondContact O-CD2 3.32Å; K1129-F1132 PolarHBondContact O-N 2.87Å; K1129-F1132 VanDerWaalsContact O-N 3.14Å; S1130-F1132 PolarHBondContact O-N 3.13Å; S1130-F1132 VanDerWaalsContact O-N 3.14Å; F1132-I1134 VanDerWaalsContact C-N 3.27Å; F1132-I1134 PolarHBondContact O-N 3.18Å; F1132-T1135 VanDerWaalsContact CA-O 3.24Å; F1132-T1135 WeakPolarHBondContact CA-O 3.28Å; F1132-T1135 HydrophobicContact CB-CG2 4.07Å; F1132-T1135 HydrophobicContact CD1-CG2 3.38Å; F1132-T1135 VanDerWaalsContact CD1-O 3.23Å; F1132-T1135 WeakPolarHBondContact CD1-O 3.34Å; F1132-T1135 HydrophobicContact CD2-CG2 3.84Å; F1132-T1135 HydrophobicContact CE1-CG2 3.71Å; F1132-T1135 HydrophobicContact CE2-CG2 4.13Å; F1132-T1135 HydrophobicContact CG-CG2 3.47Å; F1132-T1135 VanDerWaalsContact CG-CG2 3.47Å; F1132-T1135 HydrophobicContact CZ-CG2 4.09Å; F1132-T1135 PolarHBondContact O-N 3.38Å; F1132-P1138 HydrophobicContact CD1-CG 4.29Å; F1132-P1138 VanDerWaalsContact CE1-CD 3.42Å; F1132-P1138 HydrophobicContact CE1-CG 3.65Å; F1132-P1138 HydrophobicContact CE2-CG 4.12Å; F1132-P1138 HydrophobicContact CZ-CG 3.51Å; F1132-P1138 VanDerWaalsContact CZ-CG 3.46Å; F1132-F1149 HydrophobicContact CZ-CB 3.92Å; F1132-R1151 HydrophobicContact CD1-CB 3.82Å; F1132-R1151 HydrophobicContact CD1-CG 4.41Å; F1132-R1151 HydrophobicContact CE1-CB 4.01Å; F1132-R1151 PolarHBondContact O-NH1 2.84Å; F1132-R1151 VanDerWaalsContact O-NH1 3.09Å; F1132-I1167 HydrophobicContact CD1-CG1 4.48Å; F1132-I1167 HydrophobicContact CD2-CG1 4.36Å; F1132-I1167 HydrophobicContact CD2-CG2 4.18Å; F1132-I1167 HydrophobicContact CE1-CB 4.43Å; F1132-I1167 HydrophobicContact CE1-CG1 4.19Å; F1132-I1167 HydrophobicContact CE1-CG2 4.1Å; F1132-I1167 HydrophobicContact CE2-CB 4.35Å; F1132-I1167 HydrophobicContact CE2-CG1 4.28Å; F1132-I1167 HydrophobicContact CE2-CG2 3.78Å; F1132-I1167 HydrophobicContact CZ-CB 4.42Å; F1132-I1167 HydrophobicContact CZ-CG1 4.29Å; F1132-I1167 HydrophobicContact CZ-CG2 4.08Å |
| 1133 | N | 79.7 | Confident | 80.5 | Confident | 44.2 Ų | 44.2 | 19.4 Ų | 19.4 | 24% | 0.236 | 10% | 0.103 | C | C | . | . | G | 310 helix | trans | -70.8 | -27.7 | 168.8 | -80.6 | 1.1 | 0 | 0 | 0 | 111.9 | K415 Q465 S1031 E1032 S1130 V1131 T1135 | K415-N1133 PolarHBondContact NZ-O 3.49Å; Q465-N1133 PolarHBondContact OE1-O 3.03Å; S1031-N1133 VanDerWaalsContact C-OD1 3.27Å; S1031-N1133 VanDerWaalsContact O-CG 3.29Å; S1031-N1133 PolarHBondContact O-ND2 3.1Å; S1031-N1133 PolarHBondContact O-OD1 3.09Å; S1031-N1133 VanDerWaalsContact O-OD1 3.11Å; E1032-N1133 VanDerWaalsContact CA-OD1 3.23Å; E1032-N1133 WeakPolarHBondContact CA-OD1 3.5Å; E1032-N1133 PolarHBondContact N-OD1 3.33Å; E1032-N1133 VanDerWaalsContact N-OD1 3.16Å; S1130-N1133 WeakPolarHBondContact O-CB 3.37Å; S1130-N1133 VanDerWaalsContact O-CG 3.22Å; S1130-N1133 PolarHBondContact O-N 2.94Å; S1130-N1133 VanDerWaalsContact O-N 3.13Å; S1130-N1133 PolarHBondContact O-ND2 3.44Å; V1131-N1133 PolarHBondContact O-N 3.12Å; V1131-N1133 VanDerWaalsContact O-N 3.07Å; N1133-T1135 VanDerWaalsContact C-N 3.33Å; N1133-T1135 PolarHBondContact O-N 2.98Å |
| 1134 | I | 82.6 | Confident | 82 | Confident | 5.8 Ų | 5.8 | 17.8 Ų | 17.8 | 3% | 0.03 | 10% | 0.104 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -113.1 | -9.2 | 176.8 | 65.1 | 150.5 | 0 | 0 | 0 | 113.8 | T414 K415 F1041 L1087 V1131 F1132 L1198 L1200 N1201 I1220 | T414-I1134 CarbonylContact C-O 3.58Å; K415-I1134 WeakPolarHBondContact CA-O 3.37Å; K415-I1134 WeakPolarHBondContact CB-O 3.41Å; K415-I1134 VanDerWaalsContact CD-C 3.45Å; K415-I1134 PolarHBondContact N-O 3.14Å; F1041-I1134 HydrophobicContact CD1-CG1 4.17Å; F1041-I1134 HydrophobicContact CD1-CG2 4.16Å; F1041-I1134 HydrophobicContact CD2-CD1 4.02Å; F1041-I1134 HydrophobicContact CD2-CG1 4.27Å; F1041-I1134 HydrophobicContact CE1-CD1 4.31Å; F1041-I1134 HydrophobicContact CE1-CG1 4.26Å; F1041-I1134 HydrophobicContact CE1-CG2 3.72Å; F1041-I1134 HydrophobicContact CE2-CD1 3.44Å; F1041-I1134 VanDerWaalsContact CE2-CD1 3.48Å; F1041-I1134 HydrophobicContact CE2-CG1 4.14Å; F1041-I1134 HydrophobicContact CG-CD1 4.48Å; F1041-I1134 HydrophobicContact CG-CG1 4.14Å; F1041-I1134 HydrophobicContact CZ-CD1 3.61Å; F1041-I1134 VanDerWaalsContact CZ-CD1 3.48Å; F1041-I1134 HydrophobicContact CZ-CG1 4.21Å; F1041-I1134 HydrophobicContact CZ-CG2 4.09Å; L1087-I1134 HydrophobicContact CD2-CD1 4.07Å; V1131-I1134 CarbonylContact O-C 3.57Å; V1131-I1134 VanDerWaalsContact O-CA 3.22Å; V1131-I1134 WeakPolarHBondContact O-CA 3.33Å; V1131-I1134 VanDerWaalsContact O-CG1 3.26Å; V1131-I1134 WeakPolarHBondContact O-CG1 3.31Å; V1131-I1134 PolarHBondContact O-N 3.14Å; F1132-I1134 VanDerWaalsContact C-N 3.27Å; F1132-I1134 PolarHBondContact O-N 3.18Å; I1134-L1198 HydrophobicContact CD1-CB 4.36Å; I1134-L1198 HydrophobicContact CD1-CD1 3.98Å; I1134-L1200 HydrophobicContact CB-CD2 4.32Å; I1134-L1200 HydrophobicContact CD1-CD2 3.89Å; I1134-L1200 CarbonylContact O-C 3.59Å; I1134-L1200 WeakPolarHBondContact O-CA 3.39Å; I1134-N1201 PolarHBondContact O-N 3.23Å; I1134-I1220 HydrophobicContact CB-CD1 4.25Å; I1134-I1220 HydrophobicContact CD1-CD1 4.13Å; I1134-I1220 HydrophobicContact CG2-CD1 3.83Å |
| 1135 | T | 85.4 | Confident | 83.5 | Confident | 0 Ų | 0 | 14.4 Ų | 14.4 | 0% | 0 | 9% | 0.089 | C | C | . | . | trans | -142.8 | 140.4 | 178.1 | -171.4 | 0 | 0 | 0 | 0 | 115.1 | T414 K415 V1131 F1132 N1133 T1137 P1138 R1151 L1198 P1199 N1201 | T414-T1135 HydrophobicContact CG2-CG2 3.13Å; T414-T1135 WeakPolarHBondContact O-CB 3.25Å; T414-T1135 PolarHBondContact O-OG1 3.3Å; K415-T1135 VanDerWaalsContact CB-CA 3.42Å; K415-T1135 WeakPolarHBondContact CB-OG1 3.24Å; K415-T1135 VanDerWaalsContact CE-C 3.49Å; K415-T1135 VanDerWaalsContact CE-CA 3.49Å; V1131-T1135 HydrophobicContact CB-CG2 4.3Å; V1131-T1135 HydrophobicContact CG2-CG2 4.2Å; V1131-T1135 VanDerWaalsContact O-CG2 3.3Å; V1131-T1135 WeakPolarHBondContact O-CG2 3.35Å; V1131-T1135 PolarHBondContact O-N 3.11Å; V1131-T1135 VanDerWaalsContact O-N 3.12Å; F1132-T1135 VanDerWaalsContact CA-O 3.24Å; F1132-T1135 WeakPolarHBondContact CA-O 3.28Å; F1132-T1135 HydrophobicContact CB-CG2 4.07Å; F1132-T1135 HydrophobicContact CD1-CG2 3.38Å; F1132-T1135 VanDerWaalsContact CD1-O 3.23Å; F1132-T1135 WeakPolarHBondContact CD1-O 3.34Å; F1132-T1135 HydrophobicContact CD2-CG2 3.84Å; F1132-T1135 HydrophobicContact CE1-CG2 3.71Å; F1132-T1135 HydrophobicContact CE2-CG2 4.13Å; F1132-T1135 HydrophobicContact CG-CG2 3.47Å; F1132-T1135 VanDerWaalsContact CG-CG2 3.47Å; F1132-T1135 HydrophobicContact CZ-CG2 4.09Å; F1132-T1135 PolarHBondContact O-N 3.38Å; N1133-T1135 VanDerWaalsContact C-N 3.33Å; N1133-T1135 PolarHBondContact O-N 2.98Å; T1135-T1137 VanDerWaalsContact C-N 3.33Å; T1135-T1137 PolarHBondContact OG1-N 3.1Å; T1135-T1137 VanDerWaalsContact OG1-N 3.14Å; T1135-P1138 HydrophobicContact CG2-CB 3.86Å; T1135-P1138 VanDerWaalsContact CG2-CD 3.47Å; T1135-P1138 HydrophobicContact CG2-CG 4.14Å; T1135-P1138 VanDerWaalsContact OG1-CD 3.27Å; T1135-P1138 WeakPolarHBondContact OG1-CD 3.29Å; T1135-R1151 VanDerWaalsContact O-CD 3.31Å; T1135-R1151 WeakPolarHBondContact O-CD 3.47Å; T1135-L1198 HydrophobicContact CG2-CB 3.87Å; T1135-L1198 HydrophobicContact CG2-CD2 3.87Å; T1135-L1198 HydrophobicContact CG2-CG 4.4Å; T1135-P1199 WeakPolarHBondContact CA-O 3.38Å; T1135-P1199 WeakPolarHBondContact CB-O 3.36Å; T1135-P1199 WeakPolarHBondContact OG1-CD 3.41Å; T1135-P1199 PolarHBondContact OG1-O 3.26Å; T1135-N1201 VanDerWaalsContact CA-OD1 3.31Å; T1135-N1201 WeakPolarHBondContact CA-OD1 3.37Å | ||
| 1136 | D | 82.9 | Confident | 85.1 | Confident | 38.2 Ų | 38.2 | 14.5 Ų | 14.5 | 20% | 0.204 | 8% | 0.083 | C | C | . | . | S | Bend | trans | -92.8 | -21.2 | 170.8 | -67.8 | -13.9 | 0 | 0 | 0 | 112.6 | K415 P1138 H1150 R1151 N1201 | K415-D1136 WeakPolarHBondContact CE-OD1 3.33Å; K415-D1136 IonicContact NZ-OD1 3.42Å; D1136-P1138 WeakPolarHBondContact O-CD 3.17Å; D1136-H1150 CarbonylContact O-C 3.52Å; D1136-H1150 VanDerWaalsContact O-CA 3.29Å; D1136-H1150 WeakPolarHBondContact O-CA 3.36Å; D1136-R1151 HydrophobicContact CB-CB 4.12Å; D1136-R1151 PolarHBondContact O-N 2.95Å; D1136-R1151 VanDerWaalsContact OD1-CD 3.26Å; D1136-R1151 WeakPolarHBondContact OD1-CD 3.42Å; D1136-N1201 WeakPolarHBondContact CB-OD1 3.38Å; D1136-N1201 VanDerWaalsContact CG-CG 3.5Å; D1136-N1201 VanDerWaalsContact CG-ND2 3.27Å; D1136-N1201 VanDerWaalsContact CG-OD1 3.28Å; D1136-N1201 PolarHBondContact N-ND2 3.21Å; D1136-N1201 PolarHBondContact N-OD1 3.06Å; D1136-N1201 PolarHBondContact OD1-ND2 2.92Å; D1136-N1201 PolarHBondContact OD1-OD1 3.41Å; D1136-N1201 PolarHBondContact OD2-ND2 3.12Å; D1136-N1201 PolarHBondContact OD2-OD1 3.25Å |
| 1137 | T | 86.6 | Confident | 86.4 | Confident | 29.2 Ų | 29.2 | 13.1 Ų | 13.1 | 18% | 0.179 | 8% | 0.076 | C | C | . | . | S | Bend | trans | -133.7 | 60 | -171.9 | 58.8 | 0 | 0 | 0 | 0 | 113.4 | M1072 T1135 E1139 F1149 H1150 P1199 | M1072-T1137 HydrophobicContact CE-CG2 4Å; T1135-T1137 VanDerWaalsContact C-N 3.33Å; T1135-T1137 PolarHBondContact OG1-N 3.1Å; T1135-T1137 VanDerWaalsContact OG1-N 3.14Å; T1137-E1139 PolarHBondContact O-N 3.04Å; T1137-F1149 VanDerWaalsContact CA-O 3.26Å; T1137-F1149 WeakPolarHBondContact CA-O 3.26Å; T1137-H1150 HydrophobicContact CG2-CB 4.47Å; T1137-H1150 WeakPolarHBondContact CG2-ND1 3.39Å; T1137-P1199 VanDerWaalsContact O-CD 3.31Å; T1137-P1199 WeakPolarHBondContact O-CD 3.37Å; T1137-P1199 WeakPolarHBondContact O-CG 3.39Å |
| 1138 | P | 90.2 | Very high | 87.2 | Confident | 0 Ų | 0 | 14.3 Ų | 14.3 | 0% | 0 | 8% | 0.078 | C | C | . | . | trans | -63.1 | 135.3 | 179.1 | 24.1 | -30.8 | 0 | 0 | 0 | 112.2 | T413 T414 F1128 V1131 F1132 T1135 D1136 R1148 F1149 L1198 | T413-P1138 VanDerWaalsContact CB-C 3.48Å; T413-P1138 HydrophobicContact CG2-CB 3.82Å; T413-P1138 WeakPolarHBondContact OG1-CB 3.46Å; T414-P1138 HydrophobicContact CG2-CB 4.13Å; F1128-P1138 HydrophobicContact CZ-CB 4.22Å; F1128-P1138 HydrophobicContact CZ-CG 4.45Å; V1131-P1138 HydrophobicContact CG2-CB 3.8Å; V1131-P1138 HydrophobicContact CG2-CG 3.97Å; F1132-P1138 HydrophobicContact CD1-CG 4.29Å; F1132-P1138 VanDerWaalsContact CE1-CD 3.42Å; F1132-P1138 HydrophobicContact CE1-CG 3.65Å; F1132-P1138 HydrophobicContact CE2-CG 4.12Å; F1132-P1138 HydrophobicContact CZ-CG 3.51Å; F1132-P1138 VanDerWaalsContact CZ-CG 3.46Å; T1135-P1138 HydrophobicContact CG2-CB 3.86Å; T1135-P1138 VanDerWaalsContact CG2-CD 3.47Å; T1135-P1138 HydrophobicContact CG2-CG 4.14Å; T1135-P1138 VanDerWaalsContact OG1-CD 3.27Å; T1135-P1138 WeakPolarHBondContact OG1-CD 3.29Å; D1136-P1138 WeakPolarHBondContact O-CD 3.17Å; P1138-R1148 CarbonylContact O-C 2.91Å; P1138-R1148 WeakPolarHBondContact O-CA 3.36Å; P1138-R1148 VanDerWaalsContact O-CG 3.32Å; P1138-R1148 WeakPolarHBondContact O-CG 3.46Å; P1138-F1149 WeakPolarHBondContact CD-O 3.32Å; P1138-F1149 HydrophobicContact CG-CB 4.13Å; P1138-F1149 WeakPolarHBondContact CG-O 3.35Å; P1138-F1149 PolarHBondContact O-N 3.06Å; P1138-L1198 HydrophobicContact CB-CD2 3.6Å | ||
| 1139 | E | 91.7 | Very high | 87.6 | Confident | 5.8 Ų | 5.8 | 13.6 Ų | 13.6 | 3% | 0.027 | 8% | 0.075 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 144.1 | 176.5 | -48 | -172.7 | 170.7 | 0 | 0 | 112.2 | T413 T1071 T1137 H1141 V1147 R1148 F1196 I1197 P1199 | T413-E1139 WeakPolarHBondContact CA-O 3.36Å; T413-E1139 VanDerWaalsContact CB-N 3.32Å; T413-E1139 WeakPolarHBondContact CG2-O 3.34Å; T1071-E1139 VanDerWaalsContact CB-OE1 3.27Å; T1071-E1139 WeakPolarHBondContact CB-OE1 3.33Å; T1071-E1139 VanDerWaalsContact CB-OE2 3.26Å; T1071-E1139 WeakPolarHBondContact CB-OE2 3.25Å; T1071-E1139 VanDerWaalsContact CG2-OE2 3.3Å; T1071-E1139 WeakPolarHBondContact CG2-OE2 3.23Å; T1071-E1139 PolarHBondContact OG1-OE1 3.1Å; T1071-E1139 PolarHBondContact OG1-OE2 3.15Å; T1137-E1139 PolarHBondContact O-N 3.04Å; E1139-H1141 WeakPolarHBondContact CB-NE2 3.42Å; E1139-H1141 IonicContact OE2-CE1 3.25Å; E1139-H1141 IonicContact OE2-NE2 3.29Å; E1139-H1141 PolarHBondContact OE2-NE2 2.99Å; E1139-V1147 CarbonylContact C-O 3.4Å; E1139-V1147 VanDerWaalsContact CA-O 3.29Å; E1139-V1147 WeakPolarHBondContact CA-O 3.3Å; E1139-R1148 HydrophobicContact CG-CB 4.15Å; E1139-R1148 HydrophobicContact CG-CG 4.09Å; E1139-R1148 IonicContact OE1-CZ 3.2Å; E1139-R1148 IonicContact OE1-NE 3.22Å; E1139-R1148 PolarHBondContact OE1-NE 3.22Å; E1139-R1148 IonicContact OE1-NH2 3.18Å; E1139-R1148 PolarHBondContact OE1-NH2 3.04Å; E1139-R1148 IonicContact OE2-NH2 3.84Å; E1139-F1196 VanDerWaalsContact O-CA 3.26Å; E1139-F1196 WeakPolarHBondContact O-CA 3.41Å; E1139-I1197 HydrophobicContact CB-CB 4.1Å; E1139-I1197 HydrophobicContact CG-CB 4.34Å; E1139-I1197 PolarHBondContact N-O 3.31Å; E1139-I1197 PolarHBondContact O-N 3.12Å; E1139-I1197 VanDerWaalsContact O-N 3.08Å; E1139-P1199 HydrophobicContact CB-CG 4.1Å; E1139-P1199 HydrophobicContact CG-CG 3.77Å |
| 1140 | V | 92.5 | Very high | 87.7 | Confident | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 8% | 0.081 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 123.2 | 179.8 | -173.3 | 0 | 0 | 0 | 0 | 109.3 | A411 I412 T413 F1097 M1102 L1105 F1128 H1146 V1147 F1149 F1196 | A411-V1140 WeakPolarHBondContact O-CG1 3.43Å; I412-V1140 WeakPolarHBondContact O-CA 3.44Å; I412-V1140 WeakPolarHBondContact O-CG2 3.42Å; T413-V1140 HydrophobicContact CG2-CB 4.11Å; T413-V1140 HydrophobicContact CG2-CG2 3.18Å; F1097-V1140 HydrophobicContact CD2-CG1 4.29Å; F1097-V1140 HydrophobicContact CE2-CG1 4.1Å; F1097-V1140 HydrophobicContact CZ-CG1 4.41Å; M1102-V1140 HydrophobicContact CE-CB 4.38Å; M1102-V1140 HydrophobicContact CE-CG1 4.18Å; M1102-V1140 HydrophobicContact CE-CG2 4.49Å; M1102-V1140 HydrophobicContact SD-CG2 4.48Å; L1105-V1140 HydrophobicContact CD2-CG2 4.05Å; F1128-V1140 HydrophobicContact CE2-CG2 4.28Å; F1128-V1140 HydrophobicContact CZ-CG2 3.92Å; V1140-H1146 WeakPolarHBondContact O-CA 3.37Å; V1140-V1147 HydrophobicContact CB-CG2 3.87Å; V1140-V1147 HydrophobicContact CG2-CG2 4.14Å; V1140-V1147 PolarHBondContact N-O 3.15Å; V1140-V1147 PolarHBondContact O-N 2.95Å; V1140-F1149 HydrophobicContact CG2-CE2 4.21Å; V1140-F1196 HydrophobicContact CB-CD1 4.2Å; V1140-F1196 HydrophobicContact CB-CE1 4.22Å; V1140-F1196 HydrophobicContact CG1-CD1 4.04Å; V1140-F1196 HydrophobicContact CG1-CE1 3.69Å; V1140-F1196 HydrophobicContact CG1-CZ 4.47Å; V1140-F1196 HydrophobicContact CG2-CD1 3.77Å; V1140-F1196 HydrophobicContact CG2-CE1 3.77Å |
| 1141 | H | 92.3 | Very high | 87.4 | Confident | 15 Ų | 15 | 16.5 Ų | 16.5 | 7% | 0.069 | 9% | 0.087 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 106.3 | 172 | -52.5 | -82.6 | 0 | 0 | 0 | 109.5 | E1139 F1145 H1146 L1178 L1195 | E1139-H1141 WeakPolarHBondContact CB-NE2 3.42Å; E1139-H1141 IonicContact OE2-CE1 3.25Å; E1139-H1141 IonicContact OE2-NE2 3.29Å; E1139-H1141 PolarHBondContact OE2-NE2 2.99Å; H1141-F1145 VanDerWaalsContact CA-O 3.3Å; H1141-F1145 WeakPolarHBondContact CA-O 3.28Å; H1141-H1146 AromaticContact CG-ND1 3.83Å; H1141-H1146 AromaticContact ND1-CG 3.88Å; H1141-H1146 AromaticContact ND1-ND1 3.19Å; H1141-H1146 PolarHBondContact ND1-ND1 3.13Å; H1141-H1146 VanDerWaalsContact ND1-ND1 3.12Å; H1141-L1178 VanDerWaalsContact CE1-CD1 3.44Å; H1141-L1178 WeakPolarHBondContact CE1-CD1 3.43Å; H1141-L1195 HydrophobicContact CB-CB 4.27Å; H1141-L1195 PolarHBondContact N-O 3.07Å; H1141-L1195 PolarHBondContact O-N 3.14Å |
| 1142 | S | 92.5 | Very high | 86.3 | Confident | 3 Ų | 3 | 20.8 Ų | 20.8 | 2% | 0.021 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.4 | 133.7 | -177.7 | -174.6 | 0 | 0 | 0 | 0 | 111.3 | G1096 F1097 G1144 F1145 K1193 T1194 | G1096-S1142 VanDerWaalsContact CA-OG 3.26Å; G1096-S1142 WeakPolarHBondContact CA-OG 3.36Å; F1097-S1142 VanDerWaalsContact CD2-CB 3.44Å; F1097-S1142 WeakPolarHBondContact CD2-OG 3.4Å; F1097-S1142 PolarHBondContact N-OG 3Å; F1097-S1142 VanDerWaalsContact N-OG 3.08Å; S1142-G1144 VanDerWaalsContact C-N 3.27Å; S1142-G1144 PolarHBondContact O-N 3.21Å; S1142-G1144 VanDerWaalsContact O-N 3.12Å; S1142-F1145 PolarHBondContact N-O 3.09Å; S1142-F1145 VanDerWaalsContact N-O 3.09Å; S1142-F1145 VanDerWaalsContact O-CB 3.3Å; S1142-F1145 WeakPolarHBondContact O-CB 3.34Å; S1142-F1145 WeakPolarHBondContact O-CD2 3.5Å; S1142-F1145 PolarHBondContact O-N 3.11Å; S1142-K1193 PolarHBondContact OG-O 3.11Å; S1142-T1194 WeakPolarHBondContact CB-OG1 3.3Å; S1142-T1194 PolarHBondContact OG-OG1 3.03Å |
| 1143 | N | 90.5 | Very high | 84.9 | Confident | 49.4 Ų | 49.4 | 23.7 Ų | 23.7 | 26% | 0.264 | 13% | 0.127 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 46 | 43 | 172.9 | -166.7 | 32.7 | 0 | 0 | 0 | 115.4 | R990 V1095 F1097 T1098 F1145 K1193 | R990-N1143 PolarHBondContact NE-O 2.65Å; R990-N1143 PolarHBondContact NH2-ND2 3.02Å; V1095-N1143 WeakPolarHBondContact O-CB 3.21Å; V1095-N1143 PolarHBondContact O-ND2 2.98Å; V1095-N1143 PolarHBondContact O-OD1 3.23Å; F1097-N1143 VanDerWaalsContact O-CB 3.28Å; F1097-N1143 WeakPolarHBondContact O-CB 3.43Å; F1097-N1143 PolarHBondContact O-ND2 3.25Å; F1097-N1143 VanDerWaalsContact O-ND2 3.12Å; T1098-N1143 PolarHBondContact OG1-ND2 2.85Å; T1098-N1143 VanDerWaalsContact OG1-ND2 3.17Å; N1143-F1145 VanDerWaalsContact C-N 3.3Å; N1143-F1145 PolarHBondContact O-N 3.03Å; N1143-K1193 PolarHBondContact OD1-NZ 3.41Å |
| 1144 | G | 87.7 | Confident | 83.4 | Confident | 22 Ų | 22 | 29.4 Ų | 29.4 | 23% | 0.227 | 15% | 0.15 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 85.8 | -10.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | R990 S1142 H1146 W1172 | R990-G1144 WeakPolarHBondContact CB-O 3.48Å; R990-G1144 VanDerWaalsContact CG-C 3.5Å; S1142-G1144 VanDerWaalsContact C-N 3.27Å; S1142-G1144 PolarHBondContact O-N 3.21Å; S1142-G1144 VanDerWaalsContact O-N 3.12Å; G1144-H1146 PolarHBondContact O-CD2 3.37Å; G1144-W1172 VanDerWaalsContact O-CH2 3.24Å; G1144-W1172 WeakPolarHBondContact O-CH2 3.37Å |
| 1145 | F | 91.2 | Very high | 81.3 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 133.9 | 170.3 | -66.4 | -77.1 | 0 | 0 | 0 | 111.1 | D410 R990 F993 I994 F1097 T1098 E1099 M1102 H1141 S1142 N1143 | D410-F1145 WeakPolarHBondContact OD1-CD2 3.46Å; D410-F1145 VanDerWaalsContact OD1-CE2 3.28Å; D410-F1145 WeakPolarHBondContact OD1-CE2 3.45Å; D410-F1145 WeakPolarHBondContact OD2-CE2 3.5Å; D410-F1145 WeakPolarHBondContact OD2-CZ 3.26Å; R990-F1145 HydrophobicContact CB-CD1 3.75Å; R990-F1145 HydrophobicContact CB-CE1 3.79Å; R990-F1145 HydrophobicContact CB-CG 4.26Å; R990-F1145 HydrophobicContact CB-CZ 4.29Å; R990-F1145 VanDerWaalsContact CD-CZ 3.46Å; R990-F1145 HydrophobicContact CG-CD1 4.03Å; R990-F1145 HydrophobicContact CG-CD2 4.07Å; R990-F1145 HydrophobicContact CG-CE1 3.92Å; R990-F1145 HydrophobicContact CG-CE2 4.09Å; R990-F1145 HydrophobicContact CG-CG 4.03Å; R990-F1145 HydrophobicContact CG-CZ 3.97Å; F993-F1145 AromaticContact CD1-CE1 3.78Å; F993-F1145 HydrophobicContact CD1-CE1 3.78Å; F993-F1145 HydrophobicContact CD1-CZ 4.16Å; F993-F1145 HydrophobicContact CE1-CE1 4.31Å; F993-F1145 HydrophobicContact CE1-CZ 4.36Å; I994-F1145 HydrophobicContact CD1-CD1 4.07Å; I994-F1145 HydrophobicContact CD1-CE1 4.16Å; I994-F1145 HydrophobicContact CG1-CD1 4.05Å; I994-F1145 HydrophobicContact CG1-CE1 4.24Å; F1097-F1145 HydrophobicContact CB-CD2 4.12Å; F1097-F1145 HydrophobicContact CB-CE2 4.45Å; F1097-F1145 WeakPolarHBondContact O-CD2 3.41Å; F1097-F1145 WeakPolarHBondContact O-CE2 3.2Å; T1098-F1145 VanDerWaalsContact O-CE2 3.3Å; T1098-F1145 WeakPolarHBondContact O-CE2 3.49Å; T1098-F1145 WeakPolarHBondContact O-CZ 3.39Å; E1099-F1145 HydrophobicContact CG-CZ 3.94Å; M1102-F1145 HydrophobicContact CB-CE1 4.32Å; M1102-F1145 HydrophobicContact CB-CE2 4.4Å; M1102-F1145 HydrophobicContact CB-CZ 4.22Å; M1102-F1145 HydrophobicContact CE-CB 3.78Å; M1102-F1145 HydrophobicContact CE-CD1 4Å; M1102-F1145 HydrophobicContact CE-CD2 4.22Å; M1102-F1145 HydrophobicContact CE-CE1 4.47Å; M1102-F1145 HydrophobicContact CE-CG 3.83Å; M1102-F1145 HydrophobicContact CG-CD1 4.1Å; M1102-F1145 HydrophobicContact CG-CD2 3.8Å; M1102-F1145 HydrophobicContact CG-CE1 4.07Å; M1102-F1145 HydrophobicContact CG-CE2 3.82Å; M1102-F1145 HydrophobicContact CG-CG 4.19Å; M1102-F1145 HydrophobicContact CG-CZ 4.13Å; M1102-F1145 HydrophobicContact SD-CB 4.4Å; M1102-F1145 HydrophobicContact SD-CG 4.28Å; H1141-F1145 VanDerWaalsContact CA-O 3.3Å; H1141-F1145 WeakPolarHBondContact CA-O 3.28Å; S1142-F1145 PolarHBondContact N-O 3.09Å; S1142-F1145 VanDerWaalsContact N-O 3.09Å; S1142-F1145 VanDerWaalsContact O-CB 3.3Å; S1142-F1145 WeakPolarHBondContact O-CB 3.34Å; S1142-F1145 WeakPolarHBondContact O-CD2 3.5Å; S1142-F1145 PolarHBondContact O-N 3.11Å; N1143-F1145 VanDerWaalsContact C-N 3.3Å; N1143-F1145 PolarHBondContact O-N 3.03Å |
| 1146 | H | 92 | Very high | 78.9 | Confident | 25.4 Ų | 25.4 | 39.2 Ų | 39.2 | 12% | 0.118 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 92.2 | 173.3 | -59.2 | -59 | 0 | 0 | 0 | 108.3 | V1140 H1141 G1144 W1172 C1173 N1175 | V1140-H1146 WeakPolarHBondContact O-CA 3.37Å; H1141-H1146 AromaticContact CG-ND1 3.83Å; H1141-H1146 AromaticContact ND1-CG 3.88Å; H1141-H1146 AromaticContact ND1-ND1 3.19Å; H1141-H1146 PolarHBondContact ND1-ND1 3.13Å; H1141-H1146 VanDerWaalsContact ND1-ND1 3.12Å; G1144-H1146 PolarHBondContact O-CD2 3.37Å; H1146-W1172 HydrophobicContact CB-CH2 4.41Å; H1146-W1172 HydrophobicContact CB-CZ2 4.22Å; H1146-W1172 AromaticContact CD2-CZ2 3.96Å; H1146-W1172 WeakPolarHBondContact O-CA 3.24Å; H1146-C1173 HydrophobicContact CB-CB 4.36Å; H1146-C1173 WeakPolarHBondContact CB-O 3.26Å; H1146-C1173 PolarHBondContact O-N 3.1Å; H1146-N1175 HydrophobicContact CB-CB 4.4Å; H1146-N1175 PolarHBondContact CD2-ND2 3.21Å; H1146-N1175 PolarHBondContact CE1-ND2 3.23Å; H1146-N1175 VanDerWaalsContact CE1-ND2 3.27Å; H1146-N1175 PolarHBondContact CE1-OD1 3.13Å; H1146-N1175 PolarHBondContact ND1-ND2 3Å; H1146-N1175 PolarHBondContact ND1-OD1 2.95Å; H1146-N1175 PolarHBondContact NE2-ND2 3.15Å |
| 1147 | V | 90.8 | Very high | 76.7 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 148.2 | -173.9 | -60.7 | 0 | 0 | 0 | 0 | 112.7 | I994 M1102 E1139 V1140 F1149 P1170 E1171 W1172 | I994-V1147 HydrophobicContact CB-CG1 4.37Å; I994-V1147 HydrophobicContact CD1-CG1 3.75Å; I994-V1147 HydrophobicContact CG1-CG1 3.79Å; I994-V1147 HydrophobicContact CG2-CG1 4.15Å; M1102-V1147 HydrophobicContact CE-CG2 3.98Å; M1102-V1147 HydrophobicContact SD-CG2 3.92Å; E1139-V1147 CarbonylContact C-O 3.4Å; E1139-V1147 VanDerWaalsContact CA-O 3.29Å; E1139-V1147 WeakPolarHBondContact CA-O 3.3Å; V1140-V1147 HydrophobicContact CB-CG2 3.87Å; V1140-V1147 HydrophobicContact CG2-CG2 4.14Å; V1140-V1147 PolarHBondContact N-O 3.15Å; V1140-V1147 PolarHBondContact O-N 2.95Å; V1147-F1149 HydrophobicContact CG2-CE2 4.06Å; V1147-F1149 HydrophobicContact CG2-CZ 4.37Å; V1147-P1170 HydrophobicContact CB-CB 4.1Å; V1147-P1170 HydrophobicContact CG1-CB 4.14Å; V1147-P1170 HydrophobicContact CG2-CB 4.25Å; V1147-E1171 CarbonylContact C-O 3.56Å; V1147-E1171 WeakPolarHBondContact CA-O 3.39Å; V1147-E1171 WeakPolarHBondContact CB-O 3.18Å; V1147-W1172 HydrophobicContact CG1-CE3 4.09Å; V1147-W1172 HydrophobicContact CG1-CZ3 4.2Å |
| 1148 | R | 89.6 | Confident | 74.2 | Confident | 32.8 Ų | 32.8 | 55.1 Ų | 55.1 | 12% | 0.124 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 145.5 | 172.6 | 178.8 | -174.1 | -59.1 | 125 | 0.8 | 109.6 | P1138 E1139 H1150 P1170 E1171 C1173 | P1138-R1148 CarbonylContact O-C 2.91Å; P1138-R1148 WeakPolarHBondContact O-CA 3.36Å; P1138-R1148 VanDerWaalsContact O-CG 3.32Å; P1138-R1148 WeakPolarHBondContact O-CG 3.46Å; E1139-R1148 HydrophobicContact CG-CB 4.15Å; E1139-R1148 HydrophobicContact CG-CG 4.09Å; E1139-R1148 IonicContact OE1-CZ 3.2Å; E1139-R1148 IonicContact OE1-NE 3.22Å; E1139-R1148 PolarHBondContact OE1-NE 3.22Å; E1139-R1148 IonicContact OE1-NH2 3.18Å; E1139-R1148 PolarHBondContact OE1-NH2 3.04Å; E1139-R1148 IonicContact OE2-NH2 3.84Å; R1148-H1150 VanDerWaalsContact CD-CE1 3.47Å; R1148-H1150 WeakPolarHBondContact CD-CE1 3.39Å; R1148-H1150 VanDerWaalsContact CD-NE2 3.28Å; R1148-H1150 WeakPolarHBondContact CD-NE2 3.37Å; R1148-P1170 CarbonylContact O-C 3.57Å; R1148-P1170 WeakPolarHBondContact O-CA 3.28Å; R1148-E1171 HydrophobicContact CB-CB 4.44Å; R1148-E1171 IonicContact CZ-OE1 3.61Å; R1148-E1171 PolarHBondContact N-O 3.08Å; R1148-E1171 IonicContact NH1-OE1 3.14Å; R1148-E1171 PolarHBondContact NH1-OE1 2.98Å; R1148-E1171 WeakPolarHBondContact O-CB 3.35Å; R1148-E1171 PolarHBondContact O-N 3.02Å; R1148-C1173 WeakPolarHBondContact CB-SG 3.39Å; R1148-C1173 VanDerWaalsContact CZ-SG 3.57Å |
| 1149 | F | 88.9 | Confident | 71.6 | Confident | 0.4 Ų | 0.4 | 61 Ų | 61 | 0% | 0.002 | 31% | 0.31 | C | S | . | . | trans | -112 | 157.7 | 168.4 | -60.5 | -93.4 | 0 | 0 | 0 | 109.1 | T413 M1102 L1105 F1128 F1132 T1137 P1138 V1140 V1147 L1166 I1167 L1168 P1170 | T413-F1149 HydrophobicContact CG2-CD2 4.27Å; M1102-F1149 HydrophobicContact SD-CE2 4.35Å; M1102-F1149 HydrophobicContact SD-CZ 4.26Å; L1105-F1149 HydrophobicContact CD2-CE2 3.7Å; L1105-F1149 HydrophobicContact CD2-CZ 3.8Å; L1105-F1149 HydrophobicContact CG-CE1 4.33Å; L1105-F1149 HydrophobicContact CG-CE2 4.28Å; L1105-F1149 HydrophobicContact CG-CZ 4.04Å; F1128-F1149 HydrophobicContact CE1-CD2 4.15Å; F1128-F1149 HydrophobicContact CE1-CE2 4.23Å; F1132-F1149 HydrophobicContact CZ-CB 3.92Å; T1137-F1149 VanDerWaalsContact CA-O 3.26Å; T1137-F1149 WeakPolarHBondContact CA-O 3.26Å; P1138-F1149 WeakPolarHBondContact CD-O 3.32Å; P1138-F1149 HydrophobicContact CG-CB 4.13Å; P1138-F1149 WeakPolarHBondContact CG-O 3.35Å; P1138-F1149 PolarHBondContact O-N 3.06Å; V1140-F1149 HydrophobicContact CG2-CE2 4.21Å; V1147-F1149 HydrophobicContact CG2-CE2 4.06Å; V1147-F1149 HydrophobicContact CG2-CZ 4.37Å; F1149-L1166 WeakPolarHBondContact CA-O 3.23Å; F1149-L1166 WeakPolarHBondContact CB-O 3.47Å; F1149-I1167 WeakPolarHBondContact CD1-O 3.33Å; F1149-L1168 WeakPolarHBondContact CE1-O 3.34Å; F1149-P1170 HydrophobicContact CE1-CB 3.93Å; F1149-P1170 HydrophobicContact CE1-CG 4.44Å; F1149-P1170 HydrophobicContact CE2-CB 4.18Å; F1149-P1170 HydrophobicContact CZ-CB 4.03Å; F1149-P1170 HydrophobicContact CZ-CG 4.44Å | ||
| 1150 | H | 82.5 | Confident | 69 | Low | 42.4 Ų | 42.4 | 65.7 Ų | 65.7 | 20% | 0.196 | 34% | 0.343 | C | S | . | . | trans | -129.7 | 134.2 | -178.4 | -63.3 | 121.6 | 0 | 0 | 0 | 112.7 | D1136 T1137 R1148 S1165 L1166 I1167 E1171 | D1136-H1150 CarbonylContact O-C 3.52Å; D1136-H1150 VanDerWaalsContact O-CA 3.29Å; D1136-H1150 WeakPolarHBondContact O-CA 3.36Å; T1137-H1150 HydrophobicContact CG2-CB 4.47Å; T1137-H1150 WeakPolarHBondContact CG2-ND1 3.39Å; R1148-H1150 VanDerWaalsContact CD-CE1 3.47Å; R1148-H1150 WeakPolarHBondContact CD-CE1 3.39Å; R1148-H1150 VanDerWaalsContact CD-NE2 3.28Å; R1148-H1150 WeakPolarHBondContact CD-NE2 3.37Å; H1150-S1165 WeakPolarHBondContact CB-O 3.46Å; H1150-S1165 WeakPolarHBondContact ND1-CB 3.42Å; H1150-L1166 HydrophobicContact CB-CB 4.07Å; H1150-L1166 HydrophobicContact CB-CD1 4.33Å; H1150-L1166 VanDerWaalsContact CD2-CD1 3.41Å; H1150-L1166 WeakPolarHBondContact CD2-CD1 3.47Å; H1150-L1166 PolarHBondContact N-O 3.18Å; H1150-L1166 CarbonylContact O-C 3.47Å; H1150-L1166 WeakPolarHBondContact O-CA 3.37Å; H1150-L1166 PolarHBondContact O-N 3.19Å; H1150-L1166 VanDerWaalsContact O-N 3.16Å; H1150-I1167 WeakPolarHBondContact O-CA 3.31Å; H1150-I1167 VanDerWaalsContact O-CG1 3.31Å; H1150-I1167 WeakPolarHBondContact O-CG1 3.49Å; H1150-I1167 PolarHBondContact O-N 3.18Å; H1150-I1167 VanDerWaalsContact O-N 3.1Å; H1150-E1171 IonicContact CD2-OE2 3.74Å; H1150-E1171 VanDerWaalsContact CE1-CD 3.46Å; H1150-E1171 IonicContact CE1-OE1 3.15Å; H1150-E1171 IonicContact CE1-OE2 3.55Å; H1150-E1171 PolarHBondContact CE1-OE2 3.15Å; H1150-E1171 IonicContact ND1-OE2 3.55Å; H1150-E1171 PolarHBondContact ND1-OE2 3.19Å; H1150-E1171 VanDerWaalsContact ND1-OE2 3.15Å; H1150-E1171 IonicContact NE2-OE1 2.75Å; H1150-E1171 PolarHBondContact NE2-OE1 2.93Å; H1150-E1171 IonicContact NE2-OE2 3.3Å; H1150-E1171 PolarHBondContact NE2-OE2 2.9Å | ||
| 1151 | R | 75.6 | Confident | 66.5 | Low | 31.8 Ų | 31.8 | 74.9 Ų | 74.9 | 12% | 0.12 | 39% | 0.386 | C | S | . | . | P | Polyproline II helix | trans | -91.4 | 128.2 | 166.7 | -173.8 | 174.3 | 174.4 | -174 | -7 | 109.6 | V1028 E1032 F1132 T1135 D1136 S1153 I1167 | V1028-R1151 VanDerWaalsContact CG1-NH2 3.25Å; V1028-R1151 HydrophobicContact CG2-CG 4.06Å; E1032-R1151 IonicContact OE1-CZ 3.25Å; E1032-R1151 VanDerWaalsContact OE1-CZ 3.29Å; E1032-R1151 IonicContact OE1-NH1 3.19Å; E1032-R1151 PolarHBondContact OE1-NH1 3.33Å; E1032-R1151 IonicContact OE1-NH2 3.27Å; E1032-R1151 PolarHBondContact OE1-NH2 3.15Å; E1032-R1151 IonicContact OE2-NH2 3.12Å; E1032-R1151 PolarHBondContact OE2-NH2 3.33Å; F1132-R1151 HydrophobicContact CD1-CB 3.82Å; F1132-R1151 HydrophobicContact CD1-CG 4.41Å; F1132-R1151 HydrophobicContact CE1-CB 4.01Å; F1132-R1151 PolarHBondContact O-NH1 2.84Å; F1132-R1151 VanDerWaalsContact O-NH1 3.09Å; T1135-R1151 VanDerWaalsContact O-CD 3.31Å; T1135-R1151 WeakPolarHBondContact O-CD 3.47Å; D1136-R1151 HydrophobicContact CB-CB 4.12Å; D1136-R1151 PolarHBondContact O-N 2.95Å; D1136-R1151 VanDerWaalsContact OD1-CD 3.26Å; D1136-R1151 WeakPolarHBondContact OD1-CD 3.42Å; R1151-S1153 PolarHBondContact O-N 3.12Å; R1151-S1153 VanDerWaalsContact O-N 3.14Å; R1151-I1167 HydrophobicContact CB-CD1 4.44Å; R1151-I1167 HydrophobicContact CB-CG1 4.45Å; R1151-I1167 HydrophobicContact CG-CD1 4.36Å |
| 1152 | Q | 64.2 | Low | 64 | Low | 91.4 Ų | 91.4 | 78.9 Ų | 78.9 | 43% | 0.427 | 41% | 0.412 | S | S | . | . | P | Polyproline II helix | trans | -70 | 117 | 172.1 | -154.8 | 176.2 | 13.9 | 0 | 0 | 109.8 | S1163 S1165 L1166 | Q1152-S1163 PolarHBondContact NE2-O 3.38Å; Q1152-S1165 WeakPolarHBondContact CB-OG 3.46Å; Q1152-S1165 PolarHBondContact N-OG 3.28Å; Q1152-S1165 PolarHBondContact OE1-OG 3.41Å; Q1152-L1166 HydrophobicContact CB-CD2 4.35Å |
| 1153 | S | 53.3 | Low | 61.8 | Low | 61.8 Ų | 61.8 | 83.3 Ų | 83.3 | 43% | 0.432 | 44% | 0.443 | S | S | . | . | P | Polyproline II helix | trans | -62.5 | 144 | 173.8 | 119.3 | 0 | 0 | 0 | 0 | 110.9 | R1151 C1155 | R1151-S1153 PolarHBondContact O-N 3.12Å; R1151-S1153 VanDerWaalsContact O-N 3.14Å; S1153-C1155 PolarHBondContact O-N 3.23Å; S1153-C1155 VanDerWaalsContact O-N 3.12Å; S1153-C1155 PolarHBondContact OG-N 3.11Å; S1153-C1155 VanDerWaalsContact OG-N 3.09Å |
| 1154 | K | 48.5 | Very low | 59.8 | Low | 163.4 Ų | 163.4 | 83.3 Ų | 83.3 | 71% | 0.71 | 45% | 0.446 | S | S | * | . | S | Bend | trans | -64.8 | 4.7 | 178.1 | -70.5 | 174.2 | 178.9 | 166.5 | 0 | 112.8 | E1032 T1156 | E1032-K1154 IonicContact OE1-NZ 2.77Å; E1032-K1154 PolarHBondContact OE1-NZ 2.93Å; E1032-K1154 IonicContact OE2-NZ 3.33Å; E1032-K1154 PolarHBondContact OE2-NZ 3.2Å; E1032-K1154 VanDerWaalsContact OE2-NZ 3.16Å; K1154-T1156 PolarHBondContact O-N 3Å |
| 1155 | C | 37.9 | Very low | 58.2 | Low | 101 Ų | 101 | 83.4 Ų | 83.4 | 68% | 0.682 | 44% | 0.443 | S | S | * | . | trans | -108.8 | 81.2 | -174.1 | -124.1 | 0 | 0 | 0 | 0 | 112.9 | S1153 K1157 | S1153-C1155 PolarHBondContact O-N 3.23Å; S1153-C1155 VanDerWaalsContact O-N 3.12Å; S1153-C1155 PolarHBondContact OG-N 3.11Å; S1153-C1155 VanDerWaalsContact OG-N 3.09Å; C1155-K1157 VanDerWaalsContact C-N 3.29Å; C1155-K1157 PolarHBondContact O-N 3.09Å; C1155-K1157 VanDerWaalsContact O-N 3.08Å | ||
| 1156 | T | 36.2 | Very low | 57.1 | Low | 111.2 Ų | 111.2 | 84.3 Ų | 84.3 | 68% | 0.682 | 45% | 0.447 | S | S | * | . | trans | -113.3 | 63.5 | 165.7 | 11.9 | 0 | 0 | 0 | 0 | 111.2 | K1154 Y1158 | K1154-T1156 PolarHBondContact O-N 3Å; T1156-Y1158 PolarHBondContact O-N 3.45Å | ||
| 1157 | K | 35 | Very low | 56.3 | Low | 178.4 Ų | 178.4 | 83.2 Ų | 83.2 | 78% | 0.776 | 44% | 0.443 | S | S | * | . | trans | -96.5 | 112.5 | 164.6 | -67.2 | -175.5 | -179.3 | 179.4 | 0 | 107.5 | C1155 T1159 | C1155-K1157 VanDerWaalsContact C-N 3.29Å; C1155-K1157 PolarHBondContact O-N 3.09Å; C1155-K1157 VanDerWaalsContact O-N 3.08Å; K1157-T1159 PolarHBondContact O-N 2.8Å | ||
| 1158 | Y | 36.1 | Very low | 55.8 | Low | 222.4 Ų | 222.4 | 83.7 Ų | 83.7 | 87% | 0.872 | 45% | 0.445 | S | S | * | . | S | Bend | trans | 77.9 | 81.7 | 166.9 | -58.5 | -75.3 | 0 | 0 | 0 | 114 | T1156 S1160 | T1156-Y1158 PolarHBondContact O-N 3.45Å; Y1158-S1160 PolarHBondContact O-N 3.28Å |
| 1159 | T | 35.3 | Very low | 55.5 | Low | 123 Ų | 123 | 82.5 Ų | 82.5 | 76% | 0.755 | 44% | 0.441 | S | S | * | . | trans | -125.9 | 126.4 | 150.6 | 27.2 | 0 | 0 | 0 | 0 | 109.3 | K1157 Q1161 | K1157-T1159 PolarHBondContact O-N 2.8Å; T1159-Q1161 PolarHBondContact O-N 3.23Å; T1159-Q1161 VanDerWaalsContact O-N 3.09Å | ||
| 1160 | S | 36.1 | Very low | 55.5 | Low | 104.6 Ų | 104.6 | 82.5 Ų | 82.5 | 73% | 0.731 | 44% | 0.441 | S | S | * | . | trans | -72.1 | 137.1 | 173.4 | 47.9 | 0 | 0 | 0 | 0 | 112.3 | Y1158 T1162 | Y1158-S1160 PolarHBondContact O-N 3.28Å; S1160-T1162 PolarHBondContact O-N 2.96Å | ||
| 1161 | Q | 39.9 | Very low | 55.7 | Low | 193.4 Ų | 193.4 | 83.3 Ų | 83.3 | 90% | 0.904 | 45% | 0.445 | S | S | * | . | trans | 86.6 | 65.9 | 174.4 | -66.7 | 176.5 | -18.2 | 0 | 0 | 114.9 | T1159 S1163 | T1159-Q1161 PolarHBondContact O-N 3.23Å; T1159-Q1161 VanDerWaalsContact O-N 3.09Å; Q1161-S1163 PolarHBondContact O-N 3.01Å | ||
| 1162 | T | 40.2 | Very low | 56.4 | Low | 99.2 Ų | 99.2 | 83.6 Ų | 83.6 | 61% | 0.609 | 45% | 0.446 | S | S | * | . | trans | -73.9 | 120.6 | 175.8 | 47.2 | 0 | 0 | 0 | 0 | 111.3 | Q1017 S1160 | Q1017-T1162 PolarHBondContact NE2-OG1 3.28Å; Q1017-T1162 PolarHBondContact OE1-OG1 2.98Å; S1160-T1162 PolarHBondContact O-N 2.96Å | ||
| 1163 | S | 46 | Very low | 57.3 | Low | 95.2 Ų | 95.2 | 79.6 Ų | 79.6 | 67% | 0.666 | 43% | 0.428 | S | S | * | . | trans | -72.9 | 133.1 | 168.1 | -57.1 | 0 | 0 | 0 | 0 | 110.1 | Q1152 Q1161 S1165 | Q1152-S1163 PolarHBondContact NE2-O 3.38Å; Q1161-S1163 PolarHBondContact O-N 3.01Å; S1163-S1165 PolarHBondContact O-N 3.19Å; S1163-S1165 VanDerWaalsContact O-N 3.1Å; S1163-S1165 PolarHBondContact O-OG 2.96Å | ||
| 1164 | P | 48.5 | Very low | 58.2 | Low | 50 Ų | 50 | 83 Ų | 83 | 33% | 0.325 | 44% | 0.441 | S | S | . | . | trans | -65.9 | 139 | 179.7 | 26.4 | -32.4 | 0 | 0 | 0 | 110.8 | E1020 L1166 | E1020-P1164 HydrophobicContact CB-CB 4.38Å; E1020-P1164 VanDerWaalsContact OE2-CB 3.29Å; E1020-P1164 WeakPolarHBondContact OE2-CB 3.24Å; E1020-P1164 WeakPolarHBondContact OE2-CG 3.34Å; P1164-L1166 HydrophobicContact CB-CD1 4.45Å; P1164-L1166 HydrophobicContact CB-CD2 4.44Å; P1164-L1166 HydrophobicContact CG-CD2 4.25Å; P1164-L1166 VanDerWaalsContact O-CD2 3.32Å; P1164-L1166 WeakPolarHBondContact O-CD2 3.25Å; P1164-L1166 VanDerWaalsContact O-CG 3.29Å; P1164-L1166 WeakPolarHBondContact O-CG 3.29Å; P1164-L1166 PolarHBondContact O-N 3.07Å | ||
| 1165 | S | 55.2 | Low | 59 | Low | 23.6 Ų | 23.6 | 77.1 Ų | 77.1 | 17% | 0.165 | 42% | 0.417 | C | S | . | . | trans | -81.3 | 116.1 | -179.9 | -106 | 0 | 0 | 0 | 0 | 110.9 | S1024 H1150 Q1152 S1163 I1167 E1171 | S1024-S1165 VanDerWaalsContact CB-OG 3.27Å; S1024-S1165 WeakPolarHBondContact CB-OG 3.34Å; S1024-S1165 VanDerWaalsContact OG-CB 3.3Å; S1024-S1165 WeakPolarHBondContact OG-CB 3.38Å; S1024-S1165 PolarHBondContact OG-OG 3.05Å; H1150-S1165 WeakPolarHBondContact CB-O 3.46Å; H1150-S1165 WeakPolarHBondContact ND1-CB 3.42Å; Q1152-S1165 WeakPolarHBondContact CB-OG 3.46Å; Q1152-S1165 PolarHBondContact N-OG 3.28Å; Q1152-S1165 PolarHBondContact OE1-OG 3.41Å; S1163-S1165 PolarHBondContact O-N 3.19Å; S1163-S1165 VanDerWaalsContact O-N 3.1Å; S1163-S1165 PolarHBondContact O-OG 2.96Å; S1165-I1167 VanDerWaalsContact C-N 3.33Å; S1165-I1167 PolarHBondContact O-N 3.46Å; S1165-E1171 PolarHBondContact OG-OE2 3.45Å | ||
| 1166 | L | 66.3 | Low | 59.8 | Low | 19 Ų | 19 | 78.4 Ų | 78.4 | 10% | 0.099 | 41% | 0.413 | C | S | . | . | trans | -101.7 | 77.4 | -168.5 | -56.7 | 167.5 | 0 | 0 | 0 | 113.7 | E1020 F1149 H1150 Q1152 P1164 L1168 I1169 | E1020-L1166 HydrophobicContact CB-CD1 3.68Å; E1020-L1166 VanDerWaalsContact CB-CD1 3.45Å; E1020-L1166 HydrophobicContact CB-CD2 4.37Å; E1020-L1166 HydrophobicContact CG-CD1 3.96Å; E1020-L1166 WeakPolarHBondContact O-CD2 3.36Å; F1149-L1166 WeakPolarHBondContact CA-O 3.23Å; F1149-L1166 WeakPolarHBondContact CB-O 3.47Å; H1150-L1166 HydrophobicContact CB-CB 4.07Å; H1150-L1166 HydrophobicContact CB-CD1 4.33Å; H1150-L1166 VanDerWaalsContact CD2-CD1 3.41Å; H1150-L1166 WeakPolarHBondContact CD2-CD1 3.47Å; H1150-L1166 PolarHBondContact N-O 3.18Å; H1150-L1166 CarbonylContact O-C 3.47Å; H1150-L1166 WeakPolarHBondContact O-CA 3.37Å; H1150-L1166 PolarHBondContact O-N 3.19Å; H1150-L1166 VanDerWaalsContact O-N 3.16Å; Q1152-L1166 HydrophobicContact CB-CD2 4.35Å; P1164-L1166 HydrophobicContact CB-CD1 4.45Å; P1164-L1166 HydrophobicContact CB-CD2 4.44Å; P1164-L1166 HydrophobicContact CG-CD2 4.25Å; P1164-L1166 VanDerWaalsContact O-CD2 3.32Å; P1164-L1166 WeakPolarHBondContact O-CD2 3.25Å; P1164-L1166 VanDerWaalsContact O-CG 3.29Å; P1164-L1166 WeakPolarHBondContact O-CG 3.29Å; P1164-L1166 PolarHBondContact O-N 3.07Å; L1166-L1168 VanDerWaalsContact C-N 3.31Å; L1166-L1168 PolarHBondContact O-N 3.18Å; L1166-I1169 HydrophobicContact CB-CB 4.21Å; L1166-I1169 HydrophobicContact CB-CD1 4.16Å; L1166-I1169 HydrophobicContact CB-CG1 4.13Å; L1166-I1169 HydrophobicContact CD1-CD1 3.75Å; L1166-I1169 HydrophobicContact CD1-CG1 4.01Å; L1166-I1169 HydrophobicContact CD2-CB 3.81Å; L1166-I1169 HydrophobicContact CD2-CD1 3.87Å; L1166-I1169 HydrophobicContact CD2-CG1 4.24Å; L1166-I1169 HydrophobicContact CD2-CG2 4.12Å; L1166-I1169 HydrophobicContact CG-CB 4.42Å; L1166-I1169 HydrophobicContact CG-CD1 4.4Å; L1166-I1169 PolarHBondContact O-N 3.05Å | ||
| 1167 | I | 75.3 | Confident | 60.6 | Low | 3.2 Ų | 3.2 | 77.5 Ų | 77.5 | 2% | 0.016 | 40% | 0.401 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -25.2 | 178.8 | -69.8 | 178 | 0 | 0 | 0 | 112.5 | S1024 L1027 V1028 K1129 F1132 F1149 H1150 R1151 S1165 | S1024-I1167 WeakPolarHBondContact OG-CD1 3.23Å; L1027-I1167 HydrophobicContact CB-CD1 4.13Å; L1027-I1167 HydrophobicContact CB-CG2 4.41Å; L1027-I1167 HydrophobicContact CD1-CB 4.28Å; L1027-I1167 HydrophobicContact CD1-CG2 3.89Å; V1028-I1167 HydrophobicContact CB-CD1 4.38Å; V1028-I1167 HydrophobicContact CG2-CD1 3.43Å; V1028-I1167 VanDerWaalsContact CG2-CD1 3.45Å; K1129-I1167 HydrophobicContact CB-CG2 4.45Å; K1129-I1167 HydrophobicContact CD-CG2 3.98Å; K1129-I1167 HydrophobicContact CG-CG2 4.3Å; K1129-I1167 PolarHBondContact NZ-O 3.14Å; F1132-I1167 HydrophobicContact CD1-CG1 4.48Å; F1132-I1167 HydrophobicContact CD2-CG1 4.36Å; F1132-I1167 HydrophobicContact CD2-CG2 4.18Å; F1132-I1167 HydrophobicContact CE1-CB 4.43Å; F1132-I1167 HydrophobicContact CE1-CG1 4.19Å; F1132-I1167 HydrophobicContact CE1-CG2 4.1Å; F1132-I1167 HydrophobicContact CE2-CB 4.35Å; F1132-I1167 HydrophobicContact CE2-CG1 4.28Å; F1132-I1167 HydrophobicContact CE2-CG2 3.78Å; F1132-I1167 HydrophobicContact CZ-CB 4.42Å; F1132-I1167 HydrophobicContact CZ-CG1 4.29Å; F1132-I1167 HydrophobicContact CZ-CG2 4.08Å; F1149-I1167 WeakPolarHBondContact CD1-O 3.33Å; H1150-I1167 WeakPolarHBondContact O-CA 3.31Å; H1150-I1167 VanDerWaalsContact O-CG1 3.31Å; H1150-I1167 WeakPolarHBondContact O-CG1 3.49Å; H1150-I1167 PolarHBondContact O-N 3.18Å; H1150-I1167 VanDerWaalsContact O-N 3.1Å; R1151-I1167 HydrophobicContact CB-CD1 4.44Å; R1151-I1167 HydrophobicContact CB-CG1 4.45Å; R1151-I1167 HydrophobicContact CG-CD1 4.36Å; S1165-I1167 VanDerWaalsContact C-N 3.33Å; S1165-I1167 PolarHBondContact O-N 3.46Å |
| 1168 | L | 80.8 | Confident | 61.7 | Low | 10.4 Ų | 10.4 | 70.1 Ų | 70.1 | 5% | 0.054 | 37% | 0.37 | C | S | . | . | S | Bend | trans | -105 | -21.6 | 179.2 | -65.5 | -173.3 | 0 | 0 | 0 | 114 | F1002 L1023 L1027 C1106 I1108 F1149 L1166 P1170 | F1002-L1168 HydrophobicContact CE1-CB 3.86Å; F1002-L1168 HydrophobicContact CE1-CD1 4.34Å; F1002-L1168 HydrophobicContact CZ-CB 3.85Å; F1002-L1168 WeakPolarHBondContact CZ-O 3.33Å; L1023-L1168 HydrophobicContact CD2-CD1 3.61Å; L1023-L1168 VanDerWaalsContact CD2-CD1 3.46Å; L1023-L1168 HydrophobicContact CD2-CG 4.38Å; L1023-L1168 HydrophobicContact CG-CD1 4.39Å; L1027-L1168 HydrophobicContact CD1-CD1 4.1Å; L1027-L1168 HydrophobicContact CD1-CD2 3.79Å; L1027-L1168 HydrophobicContact CD1-CG 3.76Å; C1106-L1168 VanDerWaalsContact CA-O 3.29Å; C1106-L1168 WeakPolarHBondContact CA-O 3.38Å; C1106-L1168 VanDerWaalsContact CB-O 3.31Å; C1106-L1168 WeakPolarHBondContact CB-O 3.29Å; C1106-L1168 VanDerWaalsContact O-CB 3.31Å; C1106-L1168 WeakPolarHBondContact O-CB 3.41Å; C1106-L1168 WeakPolarHBondContact O-CD2 3.47Å; C1106-L1168 PolarHBondContact SG-O 2.93Å; I1108-L1168 HydrophobicContact CD1-CD1 3.89Å; I1108-L1168 HydrophobicContact CD1-CD2 4.44Å; I1108-L1168 HydrophobicContact CD1-CG 4.39Å; I1108-L1168 HydrophobicContact CG1-CD1 3.7Å; I1108-L1168 VanDerWaalsContact CG1-CD1 3.49Å; I1108-L1168 HydrophobicContact CG1-CD2 3.89Å; I1108-L1168 HydrophobicContact CG1-CG 4.22Å; F1149-L1168 WeakPolarHBondContact CE1-O 3.34Å; L1166-L1168 VanDerWaalsContact C-N 3.31Å; L1166-L1168 PolarHBondContact O-N 3.18Å; L1168-P1170 VanDerWaalsContact O-CD 3.27Å; L1168-P1170 WeakPolarHBondContact O-CD 3.38Å |
| 1169 | I | 84 | Confident | 62.4 | Low | 6.6 Ų | 6.6 | 65 Ų | 65 | 3% | 0.034 | 36% | 0.356 | C | S | . | . | S | Bend | trans | -89.5 | 113.9 | -172.6 | -53.4 | -177.3 | 0 | 0 | 0 | 108.2 | R998 F1002 V1004 E1020 L1166 | R998-I1169 HydrophobicContact CG-CG2 4.12Å; F1002-I1169 HydrophobicContact CB-CD1 3.94Å; F1002-I1169 HydrophobicContact CB-CG1 4.18Å; F1002-I1169 HydrophobicContact CD1-CD1 3.99Å; F1002-I1169 HydrophobicContact CD1-CG1 3.63Å; F1002-I1169 HydrophobicContact CD2-CB 4.39Å; F1002-I1169 HydrophobicContact CD2-CD1 4.37Å; F1002-I1169 HydrophobicContact CD2-CG1 4.04Å; F1002-I1169 HydrophobicContact CD2-CG2 4.25Å; F1002-I1169 HydrophobicContact CE1-CD1 4.48Å; F1002-I1169 HydrophobicContact CE1-CG1 3.96Å; F1002-I1169 HydrophobicContact CE2-CG1 4.29Å; F1002-I1169 HydrophobicContact CG-CB 4.47Å; F1002-I1169 HydrophobicContact CG-CD1 3.97Å; F1002-I1169 HydrophobicContact CG-CG1 3.67Å; F1002-I1169 HydrophobicContact CG-CG2 4.44Å; F1002-I1169 HydrophobicContact CZ-CG1 4.3Å; V1004-I1169 HydrophobicContact CG2-CD1 4.32Å; V1004-I1169 HydrophobicContact CG2-CG2 4.37Å; E1020-I1169 WeakPolarHBondContact OE1-CD1 3.33Å; L1166-I1169 HydrophobicContact CB-CB 4.21Å; L1166-I1169 HydrophobicContact CB-CD1 4.16Å; L1166-I1169 HydrophobicContact CB-CG1 4.13Å; L1166-I1169 HydrophobicContact CD1-CD1 3.75Å; L1166-I1169 HydrophobicContact CD1-CG1 4.01Å; L1166-I1169 HydrophobicContact CD2-CB 3.81Å; L1166-I1169 HydrophobicContact CD2-CD1 3.87Å; L1166-I1169 HydrophobicContact CD2-CG1 4.24Å; L1166-I1169 HydrophobicContact CD2-CG2 4.12Å; L1166-I1169 HydrophobicContact CG-CB 4.42Å; L1166-I1169 HydrophobicContact CG-CD1 4.4Å; L1166-I1169 PolarHBondContact O-N 3.05Å |
| 1170 | P | 88.8 | Confident | 62.9 | Low | 0.2 Ų | 0.2 | 65.4 Ų | 65.4 | 0% | 0.001 | 35% | 0.347 | C | S | . | . | trans | -72.3 | 134.6 | 176.9 | 30.4 | -33.1 | 0 | 0 | 0 | 109.6 | I994 I997 R998 C1106 V1147 R1148 F1149 L1168 | I994-P1170 HydrophobicContact CD1-CB 4.25Å; I994-P1170 HydrophobicContact CD1-CG 4.14Å; I994-P1170 HydrophobicContact CG2-CB 4.12Å; I994-P1170 HydrophobicContact CG2-CG 3.96Å; I997-P1170 HydrophobicContact CG2-CG 4.38Å; R998-P1170 VanDerWaalsContact CD-O 3.31Å; R998-P1170 WeakPolarHBondContact CD-O 3.31Å; R998-P1170 HydrophobicContact CG-CG 4.36Å; R998-P1170 WeakPolarHBondContact CG-O 3.38Å; R998-P1170 PolarHBondContact NH1-O 3.1Å; C1106-P1170 VanDerWaalsContact SG-CD 3.56Å; C1106-P1170 VanDerWaalsContact SG-CG 3.56Å; C1106-P1170 WeakPolarHBondContact SG-CG 3.45Å; V1147-P1170 HydrophobicContact CB-CB 4.1Å; V1147-P1170 HydrophobicContact CG1-CB 4.14Å; V1147-P1170 HydrophobicContact CG2-CB 4.25Å; R1148-P1170 CarbonylContact O-C 3.57Å; R1148-P1170 WeakPolarHBondContact O-CA 3.28Å; F1149-P1170 HydrophobicContact CE1-CB 3.93Å; F1149-P1170 HydrophobicContact CE1-CG 4.44Å; F1149-P1170 HydrophobicContact CE2-CB 4.18Å; F1149-P1170 HydrophobicContact CZ-CB 4.03Å; F1149-P1170 HydrophobicContact CZ-CG 4.44Å; L1168-P1170 VanDerWaalsContact O-CD 3.27Å; L1168-P1170 WeakPolarHBondContact O-CD 3.38Å | ||
| 1171 | E | 87.1 | Confident | 63.4 | Low | 60 Ų | 60 | 62.3 Ų | 62.3 | 28% | 0.28 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 134.1 | 168.3 | -179.5 | -177.1 | 121.9 | 0 | 0 | 109.1 | V1147 R1148 H1150 S1165 C1173 | V1147-E1171 CarbonylContact C-O 3.56Å; V1147-E1171 WeakPolarHBondContact CA-O 3.39Å; V1147-E1171 WeakPolarHBondContact CB-O 3.18Å; R1148-E1171 HydrophobicContact CB-CB 4.44Å; R1148-E1171 IonicContact CZ-OE1 3.61Å; R1148-E1171 PolarHBondContact N-O 3.08Å; R1148-E1171 IonicContact NH1-OE1 3.14Å; R1148-E1171 PolarHBondContact NH1-OE1 2.98Å; R1148-E1171 WeakPolarHBondContact O-CB 3.35Å; R1148-E1171 PolarHBondContact O-N 3.02Å; H1150-E1171 IonicContact CD2-OE2 3.74Å; H1150-E1171 VanDerWaalsContact CE1-CD 3.46Å; H1150-E1171 IonicContact CE1-OE1 3.15Å; H1150-E1171 IonicContact CE1-OE2 3.55Å; H1150-E1171 PolarHBondContact CE1-OE2 3.15Å; H1150-E1171 IonicContact ND1-OE2 3.55Å; H1150-E1171 PolarHBondContact ND1-OE2 3.19Å; H1150-E1171 VanDerWaalsContact ND1-OE2 3.15Å; H1150-E1171 IonicContact NE2-OE1 2.75Å; H1150-E1171 PolarHBondContact NE2-OE1 2.93Å; H1150-E1171 IonicContact NE2-OE2 3.3Å; H1150-E1171 PolarHBondContact NE2-OE2 2.9Å; S1165-E1171 PolarHBondContact OG-OE2 3.45Å; E1171-C1173 PolarHBondContact O-N 3.26Å |
| 1172 | W | 89.1 | Confident | 63.5 | Low | 38.4 Ų | 38.4 | 57.6 Ų | 57.6 | 15% | 0.145 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 134 | 176.9 | -170.9 | -96.6 | 0 | 0 | 0 | 111.9 | S987 R990 H991 I994 G1144 H1146 V1147 | S987-W1172 VanDerWaalsContact O-CH2 3.31Å; S987-W1172 WeakPolarHBondContact O-CH2 3.35Å; S987-W1172 WeakPolarHBondContact OG-CZ2 3.12Å; R990-W1172 HydrophobicContact CB-CH2 4.04Å; R990-W1172 HydrophobicContact CB-CZ3 4.21Å; H991-W1172 VanDerWaalsContact CA-CZ3 3.5Å; H991-W1172 HydrophobicContact CB-CD2 4.01Å; H991-W1172 HydrophobicContact CB-CE3 4.1Å; H991-W1172 HydrophobicContact CB-CH2 3.88Å; H991-W1172 HydrophobicContact CB-CZ2 3.8Å; H991-W1172 HydrophobicContact CB-CZ3 4.04Å; H991-W1172 AromaticContact CD2-CD2 3.75Å; H991-W1172 AromaticContact CD2-CG 3.67Å; H991-W1172 AromaticContact CE1-CD1 3.77Å; H991-W1172 AromaticContact CE1-CG 3.77Å; H991-W1172 AromaticContact CE1-NE1 3.85Å; H991-W1172 AromaticContact CG-CD2 3.88Å; H991-W1172 AromaticContact CG-CE2 3.85Å; H991-W1172 AromaticContact CG-CG 3.96Å; H991-W1172 AromaticContact CG-NE1 3.94Å; H991-W1172 AromaticContact ND1-CD1 3.44Å; H991-W1172 AromaticContact ND1-CD2 3.25Å; H991-W1172 VanDerWaalsContact ND1-CD2 3.33Å; H991-W1172 AromaticContact ND1-CE2 3.67Å; H991-W1172 AromaticContact ND1-CE3 3.86Å; H991-W1172 AromaticContact ND1-CG 3.07Å; H991-W1172 AromaticContact ND1-NE1 3.62Å; H991-W1172 PolarHBondContact ND1-NE1 3.4Å; H991-W1172 AromaticContact NE2-CD1 3.77Å; H991-W1172 AromaticContact NE2-CG 3.65Å; I994-W1172 HydrophobicContact CB-CE3 4.23Å; I994-W1172 HydrophobicContact CG1-CE3 4.05Å; I994-W1172 HydrophobicContact CG1-CZ3 4.11Å; I994-W1172 HydrophobicContact CG2-CE3 4.46Å; G1144-W1172 VanDerWaalsContact O-CH2 3.24Å; G1144-W1172 WeakPolarHBondContact O-CH2 3.37Å; H1146-W1172 HydrophobicContact CB-CH2 4.41Å; H1146-W1172 HydrophobicContact CB-CZ2 4.22Å; H1146-W1172 AromaticContact CD2-CZ2 3.96Å; H1146-W1172 WeakPolarHBondContact O-CA 3.24Å; V1147-W1172 HydrophobicContact CG1-CE3 4.09Å; V1147-W1172 HydrophobicContact CG1-CZ3 4.2Å |
| 1173 | C | 83.2 | Confident | 63.6 | Low | 6.2 Ų | 6.2 | 60.4 Ų | 60.4 | 4% | 0.042 | 32% | 0.315 | C | S | . | . | trans | -99 | 125.3 | 177 | -63.6 | 0 | 0 | 0 | 0 | 111.3 | H1146 R1148 E1171 N1175 | H1146-C1173 HydrophobicContact CB-CB 4.36Å; H1146-C1173 WeakPolarHBondContact CB-O 3.26Å; H1146-C1173 PolarHBondContact O-N 3.1Å; R1148-C1173 WeakPolarHBondContact CB-SG 3.39Å; R1148-C1173 VanDerWaalsContact CZ-SG 3.57Å; E1171-C1173 PolarHBondContact O-N 3.26Å; C1173-N1175 VanDerWaalsContact C-N 3.34Å; C1173-N1175 PolarHBondContact O-N 3Å | ||
| 1174 | D | 72 | Confident | 63.3 | Low | 134.4 Ų | 134.4 | 59.7 Ų | 59.7 | 72% | 0.719 | 31% | 0.31 | S | S | * | . | trans | -67.2 | 97 | 171.2 | -75.9 | -26.6 | 0 | 0 | 0 | 111 | E1176 Q1177 | D1174-E1176 PolarHBondContact O-N 3Å; D1174-Q1177 PolarHBondContact O-N 2.95Å; D1174-Q1177 VanDerWaalsContact O-N 3.1Å | ||
| 1175 | N | 65 | Low | 63 | Low | 38.2 Ų | 38.2 | 62.6 Ų | 62.6 | 20% | 0.204 | 33% | 0.33 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -2 | -171.8 | -160.8 | 25.3 | 0 | 0 | 0 | 114.2 | H1146 C1173 Q1177 L1178 M1179 | H1146-N1175 HydrophobicContact CB-CB 4.4Å; H1146-N1175 PolarHBondContact CD2-ND2 3.21Å; H1146-N1175 PolarHBondContact CE1-ND2 3.23Å; H1146-N1175 VanDerWaalsContact CE1-ND2 3.27Å; H1146-N1175 PolarHBondContact CE1-OD1 3.13Å; H1146-N1175 PolarHBondContact ND1-ND2 3Å; H1146-N1175 PolarHBondContact ND1-OD1 2.95Å; H1146-N1175 PolarHBondContact NE2-ND2 3.15Å; C1173-N1175 VanDerWaalsContact C-N 3.34Å; C1173-N1175 PolarHBondContact O-N 3Å; N1175-Q1177 PolarHBondContact O-N 3.05Å; N1175-Q1177 VanDerWaalsContact O-N 3.14Å; N1175-L1178 PolarHBondContact O-N 3Å; N1175-L1178 VanDerWaalsContact O-N 3.12Å; N1175-L1178 WeakPolarHBondContact OD1-CB 3.43Å; N1175-L1178 VanDerWaalsContact OD1-CD1 3.26Å; N1175-L1178 WeakPolarHBondContact OD1-CD1 3.42Å; N1175-M1179 WeakPolarHBondContact O-CB 3.49Å; N1175-M1179 VanDerWaalsContact O-CG 3.29Å; N1175-M1179 WeakPolarHBondContact O-CG 3.34Å; N1175-M1179 PolarHBondContact O-N 3.19Å; N1175-M1179 VanDerWaalsContact O-N 3.14Å |
| 1176 | E | 55.8 | Low | 62.9 | Low | 128.4 Ų | 128.4 | 64.4 Ų | 64.4 | 60% | 0.6 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -56.8 | -32.6 | 178.8 | -75.6 | -153.6 | 163.2 | 0 | 0 | 112.9 | D1174 K1180 | D1174-E1176 PolarHBondContact O-N 3Å; E1176-K1180 VanDerWaalsContact O-CB 3.29Å; E1176-K1180 WeakPolarHBondContact O-CB 3.3Å; E1176-K1180 VanDerWaalsContact O-CD 3.26Å; E1176-K1180 WeakPolarHBondContact O-CD 3.31Å; E1176-K1180 WeakPolarHBondContact O-CG 3.45Å; E1176-K1180 PolarHBondContact O-N 3.17Å; E1176-K1180 VanDerWaalsContact O-N 3.1Å; E1176-K1180 IonicContact OE1-NZ 2.75Å; E1176-K1180 PolarHBondContact OE1-NZ 2.92Å; E1176-K1180 IonicContact OE2-NZ 2.99Å; E1176-K1180 PolarHBondContact OE2-NZ 3.12Å |
| 1177 | Q | 52.5 | Low | 62.9 | Low | 91.8 Ų | 91.8 | 70.2 Ų | 70.2 | 43% | 0.429 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -77 | -38.1 | -177.4 | -63.8 | -169.6 | 3.8 | 0 | 0 | 112.7 | N1073 D1174 N1175 M1179 K1180 S1181 | N1073-Q1177 VanDerWaalsContact CG-NE2 3.27Å; N1073-Q1177 VanDerWaalsContact ND2-CD 3.34Å; N1073-Q1177 PolarHBondContact ND2-NE2 3.23Å; N1073-Q1177 PolarHBondContact ND2-OE1 3.38Å; N1073-Q1177 PolarHBondContact OD1-NE2 3.2Å; N1073-Q1177 PolarHBondContact OD1-OE1 3.19Å; D1174-Q1177 PolarHBondContact O-N 2.95Å; D1174-Q1177 VanDerWaalsContact O-N 3.1Å; N1175-Q1177 PolarHBondContact O-N 3.05Å; N1175-Q1177 VanDerWaalsContact O-N 3.14Å; Q1177-M1179 VanDerWaalsContact C-N 3.29Å; Q1177-M1179 PolarHBondContact O-N 3.03Å; Q1177-K1180 PolarHBondContact O-N 2.99Å; Q1177-K1180 VanDerWaalsContact O-N 3.12Å; Q1177-S1181 VanDerWaalsContact O-CB 3.27Å; Q1177-S1181 WeakPolarHBondContact O-CB 3.25Å; Q1177-S1181 PolarHBondContact O-N 3.2Å; Q1177-S1181 PolarHBondContact O-OG 3.24Å; Q1177-S1181 VanDerWaalsContact O-OG 3.11Å |
| 1178 | L | 58.4 | Low | 63.1 | Low | 23.6 Ų | 23.6 | 72 Ų | 72 | 12% | 0.124 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -64.7 | -40.7 | 174 | -117.4 | 125.8 | 0 | 0 | 0 | 110.9 | T1071 H1141 N1175 K1180 S1181 Q1182 I1188 L1195 I1197 | T1071-L1178 HydrophobicContact CG2-CD1 4Å; T1071-L1178 HydrophobicContact CG2-CG 4.34Å; H1141-L1178 VanDerWaalsContact CE1-CD1 3.44Å; H1141-L1178 WeakPolarHBondContact CE1-CD1 3.43Å; N1175-L1178 PolarHBondContact O-N 3Å; N1175-L1178 VanDerWaalsContact O-N 3.12Å; N1175-L1178 WeakPolarHBondContact OD1-CB 3.43Å; N1175-L1178 VanDerWaalsContact OD1-CD1 3.26Å; N1175-L1178 WeakPolarHBondContact OD1-CD1 3.42Å; L1178-K1180 VanDerWaalsContact C-N 3.32Å; L1178-K1180 PolarHBondContact O-N 2.86Å; L1178-S1181 WeakPolarHBondContact CA-OG 3.33Å; L1178-S1181 PolarHBondContact O-N 3.18Å; L1178-S1181 VanDerWaalsContact O-N 3.12Å; L1178-S1181 PolarHBondContact O-OG 2.92Å; L1178-Q1182 WeakPolarHBondContact O-CG 3.33Å; L1178-Q1182 PolarHBondContact O-N 3.02Å; L1178-I1188 HydrophobicContact CD2-CD1 3.91Å; L1178-I1188 HydrophobicContact CG-CD1 4.19Å; L1178-L1195 HydrophobicContact CD2-CD2 4.27Å; L1178-I1197 HydrophobicContact CD1-CD1 3.63Å; L1178-I1197 VanDerWaalsContact CD1-CD1 3.49Å; L1178-I1197 HydrophobicContact CD2-CD1 4.06Å; L1178-I1197 HydrophobicContact CG-CD1 4.39Å |
| 1179 | M | 50.6 | Low | 63.3 | Low | 115.4 Ų | 115.4 | 73.2 Ų | 73.2 | 57% | 0.568 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -66.2 | -35.6 | 174.7 | -68.4 | -70.8 | -108.2 | 0 | 0 | 112.6 | N1175 Q1177 | N1175-M1179 WeakPolarHBondContact O-CB 3.49Å; N1175-M1179 VanDerWaalsContact O-CG 3.29Å; N1175-M1179 WeakPolarHBondContact O-CG 3.34Å; N1175-M1179 PolarHBondContact O-N 3.19Å; N1175-M1179 VanDerWaalsContact O-N 3.14Å; Q1177-M1179 VanDerWaalsContact C-N 3.29Å; Q1177-M1179 PolarHBondContact O-N 3.03Å |
| 1180 | K | 47.1 | Very low | 63.3 | Low | 131 Ų | 131 | 79 Ų | 79 | 57% | 0.57 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -75.1 | -31.9 | 176.4 | -73.5 | 165.3 | -168.7 | 167.8 | 0 | 112.6 | E1176 Q1177 L1178 Q1182 N1183 | E1176-K1180 VanDerWaalsContact O-CB 3.29Å; E1176-K1180 WeakPolarHBondContact O-CB 3.3Å; E1176-K1180 VanDerWaalsContact O-CD 3.26Å; E1176-K1180 WeakPolarHBondContact O-CD 3.31Å; E1176-K1180 WeakPolarHBondContact O-CG 3.45Å; E1176-K1180 PolarHBondContact O-N 3.17Å; E1176-K1180 VanDerWaalsContact O-N 3.1Å; E1176-K1180 IonicContact OE1-NZ 2.75Å; E1176-K1180 PolarHBondContact OE1-NZ 2.92Å; E1176-K1180 IonicContact OE2-NZ 2.99Å; E1176-K1180 PolarHBondContact OE2-NZ 3.12Å; Q1177-K1180 PolarHBondContact O-N 2.99Å; Q1177-K1180 VanDerWaalsContact O-N 3.12Å; L1178-K1180 VanDerWaalsContact C-N 3.32Å; L1178-K1180 PolarHBondContact O-N 2.86Å; K1180-Q1182 VanDerWaalsContact C-N 3.27Å; K1180-Q1182 PolarHBondContact O-N 3.27Å; K1180-N1183 PolarHBondContact O-N 2.76Å; K1180-N1183 PolarHBondContact O-ND2 2.96Å |
| 1181 | S | 44.7 | Very low | 63.4 | Low | 40.4 Ų | 40.4 | 83.1 Ų | 83.1 | 28% | 0.283 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -75 | -14.7 | -179.3 | 68.9 | 0 | 0 | 0 | 0 | 114.3 | Q1177 L1178 N1183 S1184 C1185 | Q1177-S1181 VanDerWaalsContact O-CB 3.27Å; Q1177-S1181 WeakPolarHBondContact O-CB 3.25Å; Q1177-S1181 PolarHBondContact O-N 3.2Å; Q1177-S1181 PolarHBondContact O-OG 3.24Å; Q1177-S1181 VanDerWaalsContact O-OG 3.11Å; L1178-S1181 WeakPolarHBondContact CA-OG 3.33Å; L1178-S1181 PolarHBondContact O-N 3.18Å; L1178-S1181 VanDerWaalsContact O-N 3.12Å; L1178-S1181 PolarHBondContact O-OG 2.92Å; S1181-N1183 PolarHBondContact O-N 3.27Å; S1181-S1184 CarbonylContact O-C 3.58Å; S1181-S1184 WeakPolarHBondContact O-CA 3.28Å; S1181-S1184 PolarHBondContact O-N 3.13Å; S1181-S1184 VanDerWaalsContact O-N 3.08Å; S1181-S1184 PolarHBondContact O-OG 3.12Å; S1181-S1184 VanDerWaalsContact O-OG 3.08Å; S1181-C1185 WeakPolarHBondContact O-CB 3.2Å; S1181-C1185 PolarHBondContact O-N 3.04Å |
| 1182 | Q | 43.6 | Very low | 63.6 | Low | 95.4 Ų | 95.4 | 81.4 Ų | 81.4 | 45% | 0.446 | 43% | 0.433 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59 | -15 | 175.7 | -71.1 | -165.1 | -14.3 | 0 | 0 | 114 | L1178 K1180 S1184 | L1178-Q1182 WeakPolarHBondContact O-CG 3.33Å; L1178-Q1182 PolarHBondContact O-N 3.02Å; K1180-Q1182 VanDerWaalsContact C-N 3.27Å; K1180-Q1182 PolarHBondContact O-N 3.27Å; Q1182-S1184 VanDerWaalsContact C-N 3.29Å; Q1182-S1184 PolarHBondContact O-N 3.15Å |
| 1183 | N | 41.2 | Very low | 63.7 | Low | 156.2 Ų | 156.2 | 84.4 Ų | 84.4 | 84% | 0.835 | 45% | 0.447 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.3 | 1.8 | 175.6 | -71.2 | -38.3 | 0 | 0 | 0 | 114.7 | K1180 S1181 | K1180-N1183 PolarHBondContact O-N 2.76Å; K1180-N1183 PolarHBondContact O-ND2 2.96Å; S1181-N1183 PolarHBondContact O-N 3.27Å |
| 1184 | S | 40.1 | Very low | 64.3 | Low | 81.2 Ų | 81.2 | 84.3 Ų | 84.3 | 57% | 0.568 | 45% | 0.446 | S | S | * | . | S | Bend | trans | -141.6 | 90.2 | -179.9 | 54.9 | 0 | 0 | 0 | 0 | 113.8 | S1181 Q1182 N1186 | S1181-S1184 CarbonylContact O-C 3.58Å; S1181-S1184 WeakPolarHBondContact O-CA 3.28Å; S1181-S1184 PolarHBondContact O-N 3.13Å; S1181-S1184 VanDerWaalsContact O-N 3.08Å; S1181-S1184 PolarHBondContact O-OG 3.12Å; S1181-S1184 VanDerWaalsContact O-OG 3.08Å; Q1182-S1184 VanDerWaalsContact C-N 3.29Å; Q1182-S1184 PolarHBondContact O-N 3.15Å; S1184-N1186 VanDerWaalsContact C-N 3.31Å; S1184-N1186 PolarHBondContact O-N 3.04Å |
| 1185 | C | 41.2 | Very low | 65.3 | Low | 110.4 Ų | 110.4 | 78.3 Ų | 78.3 | 75% | 0.746 | 41% | 0.414 | S | S | * | . | S | Bend | trans | 58.6 | 10.2 | 162.7 | -140.5 | 0 | 0 | 0 | 0 | 119 | S1181 E1187 | S1181-C1185 WeakPolarHBondContact O-CB 3.2Å; S1181-C1185 PolarHBondContact O-N 3.04Å; C1185-E1187 VanDerWaalsContact C-N 3.29Å; C1185-E1187 PolarHBondContact O-N 3.02Å |
| 1186 | N | 53.6 | Low | 66.7 | Low | 61.4 Ų | 61.4 | 77.3 Ų | 77.3 | 33% | 0.328 | 41% | 0.408 | S | S | . | . | trans | -124.3 | 63.3 | 178.6 | -70.8 | -40.1 | 0 | 0 | 0 | 111.3 | Q1065 S1067 T1068 I1069 L1088 S1184 I1188 | Q1065-N1186 PolarHBondContact NE2-OD1 2.82Å; S1067-N1186 WeakPolarHBondContact CB-OD1 3.36Å; S1067-N1186 PolarHBondContact OG-ND2 3.24Å; S1067-N1186 PolarHBondContact OG-OD1 3.21Å; T1068-N1186 PolarHBondContact O-ND2 3.41Å; I1069-N1186 HydrophobicContact CD1-CB 3.68Å; I1069-N1186 HydrophobicContact CG1-CB 4.14Å; L1088-N1186 HydrophobicContact CD1-CB 4.47Å; S1184-N1186 VanDerWaalsContact C-N 3.31Å; S1184-N1186 PolarHBondContact O-N 3.04Å; N1186-I1188 PolarHBondContact O-N 3.22Å; N1186-I1188 VanDerWaalsContact O-N 3.12Å | ||
| 1187 | E | 65.9 | Low | 68.4 | Low | 141.2 Ų | 141.2 | 71.2 Ų | 71.2 | 66% | 0.66 | 38% | 0.38 | S | S | * | . | trans | -73.8 | 98.9 | -179.5 | -70.1 | -177.7 | -170.1 | 0 | 0 | 111.4 | Q1065 S1067 I1069 C1185 P1189 | Q1065-E1187 PolarHBondContact NE2-O 3.3Å; S1067-E1187 VanDerWaalsContact CB-OE2 3.25Å; S1067-E1187 WeakPolarHBondContact CB-OE2 3.45Å; S1067-E1187 PolarHBondContact OG-OE2 2.78Å; I1069-E1187 HydrophobicContact CD1-CB 4.27Å; C1185-E1187 VanDerWaalsContact C-N 3.29Å; C1185-E1187 PolarHBondContact O-N 3.02Å; E1187-P1189 VanDerWaalsContact O-CD 3.27Å; E1187-P1189 WeakPolarHBondContact O-CD 3.33Å | ||
| 1188 | I | 81 | Confident | 70.3 | Confident | 41.8 Ų | 41.8 | 66.8 Ų | 66.8 | 21% | 0.214 | 36% | 0.359 | C | S | . | . | trans | -73.1 | 118.9 | 169.3 | -63.4 | 158.9 | 0 | 0 | 0 | 107.3 | I1069 L1088 M1090 L1178 N1186 C1192 L1195 | I1069-I1188 HydrophobicContact CD1-CD1 4.29Å; I1069-I1188 HydrophobicContact CD1-CG1 4.48Å; L1088-I1188 HydrophobicContact CD1-CG1 4.4Å; M1090-I1188 HydrophobicContact SD-CG2 4.34Å; L1178-I1188 HydrophobicContact CD2-CD1 3.91Å; L1178-I1188 HydrophobicContact CG-CD1 4.19Å; N1186-I1188 PolarHBondContact O-N 3.22Å; N1186-I1188 VanDerWaalsContact O-N 3.12Å; I1188-C1192 HydrophobicContact CG2-CB 4.07Å; I1188-L1195 HydrophobicContact CD1-CD2 3.6Å; I1188-L1195 HydrophobicContact CG1-CD2 4.17Å; I1188-L1195 HydrophobicContact CG2-CD2 4.36Å | ||
| 1189 | P | 84.6 | Confident | 71.7 | Confident | 34.4 Ų | 34.4 | 66.4 Ų | 66.4 | 22% | 0.223 | 36% | 0.358 | C | S | . | . | trans | -68.5 | 146.4 | -175 | -13.4 | 23.3 | 0 | 0 | 0 | 112.5 | M1090 E1187 W1191 C1192 | M1090-P1189 VanDerWaalsContact SD-CD 3.54Å; M1090-P1189 WeakPolarHBondContact SD-CD 3.42Å; M1090-P1189 HydrophobicContact SD-CG 4.38Å; E1187-P1189 VanDerWaalsContact O-CD 3.27Å; E1187-P1189 WeakPolarHBondContact O-CD 3.33Å; P1189-W1191 VanDerWaalsContact CB-CD1 3.43Å; P1189-W1191 HydrophobicContact CB-CD2 4.03Å; P1189-W1191 VanDerWaalsContact CB-CE2 3.4Å; P1189-W1191 HydrophobicContact CB-CG 4.03Å; P1189-W1191 HydrophobicContact CB-CZ2 4.05Å; P1189-W1191 HydrophobicContact CG-CD2 3.89Å; P1189-W1191 HydrophobicContact CG-CG 4.3Å; P1189-W1191 HydrophobicContact CG-CH2 4.23Å; P1189-W1191 HydrophobicContact CG-CZ2 3.69Å; P1189-W1191 PolarHBondContact O-N 3.14Å; P1189-W1191 VanDerWaalsContact O-N 3.08Å; P1189-C1192 HydrophobicContact CG-CB 4.44Å; P1189-C1192 VanDerWaalsContact O-CB 3.25Å; P1189-C1192 WeakPolarHBondContact O-CB 3.35Å; P1189-C1192 PolarHBondContact O-N 3.12Å | ||
| 1190 | S | 84.3 | Confident | 73.5 | Confident | 129.2 Ų | 129.2 | 61.5 Ų | 61.5 | 90% | 0.903 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63 | -15.6 | -179.8 | 57 | 0 | 0 | 0 | 0 | 114.8 | C1192 | S1190-C1192 VanDerWaalsContact C-N 3.3Š|
| 1191 | W | 89.9 | Confident | 75.1 | Confident | 86.6 Ų | 86.6 | 56.3 Ų | 56.3 | 33% | 0.328 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79 | -14.9 | 173.3 | 59.4 | -108.5 | 0 | 0 | 0 | 113.4 | Q1063 M1090 N1092 P1189 K1193 | Q1063-W1191 HydrophobicContact CB-CH2 3.93Å; Q1063-W1191 HydrophobicContact CB-CZ2 4.42Å; M1090-W1191 HydrophobicContact CB-CH2 3.82Å; M1090-W1191 HydrophobicContact CB-CZ3 3.98Å; M1090-W1191 HydrophobicContact SD-CH2 4.49Å; N1092-W1191 HydrophobicContact CB-CD2 4.46Å; N1092-W1191 HydrophobicContact CB-CE3 3.65Å; N1092-W1191 HydrophobicContact CB-CZ3 4.2Å; P1189-W1191 VanDerWaalsContact CB-CD1 3.43Å; P1189-W1191 HydrophobicContact CB-CD2 4.03Å; P1189-W1191 VanDerWaalsContact CB-CE2 3.4Å; P1189-W1191 HydrophobicContact CB-CG 4.03Å; P1189-W1191 HydrophobicContact CB-CZ2 4.05Å; P1189-W1191 HydrophobicContact CG-CD2 3.89Å; P1189-W1191 HydrophobicContact CG-CG 4.3Å; P1189-W1191 HydrophobicContact CG-CH2 4.23Å; P1189-W1191 HydrophobicContact CG-CZ2 3.69Å; P1189-W1191 PolarHBondContact O-N 3.14Å; P1189-W1191 VanDerWaalsContact O-N 3.08Å; W1191-K1193 PolarHBondContact O-N 3.26Å |
| 1192 | C | 91.5 | Very high | 76.1 | Confident | 23.4 Ų | 23.4 | 58.4 Ų | 58.4 | 16% | 0.158 | 33% | 0.327 | C | S | . | . | trans | -70.5 | 120.3 | -177.7 | -175.7 | 0 | 0 | 0 | 0 | 110.5 | M1090 I1188 P1189 S1190 T1194 | M1090-C1192 HydrophobicContact CB-CB 4.41Å; M1090-C1192 HydrophobicContact CG-CB 4.47Å; I1188-C1192 HydrophobicContact CG2-CB 4.07Å; P1189-C1192 HydrophobicContact CG-CB 4.44Å; P1189-C1192 VanDerWaalsContact O-CB 3.25Å; P1189-C1192 WeakPolarHBondContact O-CB 3.35Å; P1189-C1192 PolarHBondContact O-N 3.12Å; S1190-C1192 VanDerWaalsContact C-N 3.3Å; C1192-T1194 PolarHBondContact SG-O 3.16Å; C1192-T1194 VanDerWaalsContact SG-O 3.37Å | ||
| 1193 | K | 92.4 | Very high | 76.8 | Confident | 102.4 Ų | 102.4 | 61.4 Ų | 61.4 | 45% | 0.445 | 34% | 0.341 | S | S | . | . | S | Bend | trans | -105.1 | -38.9 | -179 | -105.9 | -23.5 | -176.4 | -179.4 | 0 | 112.5 | N1091 E1093 V1095 S1142 N1143 W1191 | N1091-K1193 PolarHBondContact O-N 3.13Å; E1093-K1193 HydrophobicContact CG-CB 4.3Å; E1093-K1193 WeakPolarHBondContact O-CB 3.39Å; E1093-K1193 VanDerWaalsContact O-CG 3.25Å; E1093-K1193 WeakPolarHBondContact O-CG 3.35Å; E1093-K1193 VanDerWaalsContact OE1-C 3.29Å; E1093-K1193 VanDerWaalsContact OE1-CB 3.24Å; E1093-K1193 WeakPolarHBondContact OE1-CB 3.41Å; E1093-K1193 VanDerWaalsContact OE1-CG 3.29Å; E1093-K1193 WeakPolarHBondContact OE1-CG 3.26Å; V1095-K1193 WeakPolarHBondContact O-CE 3.47Å; S1142-K1193 PolarHBondContact OG-O 3.11Å; N1143-K1193 PolarHBondContact OD1-NZ 3.41Å; W1191-K1193 PolarHBondContact O-N 3.26Å |
| 1194 | T | 94.3 | Very high | 77.3 | Confident | 4 Ų | 4 | 56.9 Ų | 56.9 | 3% | 0.025 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 120.7 | 169.4 | -67.4 | 0 | 0 | 0 | 0 | 109.1 | N1091 E1093 F1097 S1142 C1192 F1196 | N1091-T1194 PolarHBondContact N-O 3.08Å; N1091-T1194 PolarHBondContact O-N 3.06Å; E1093-T1194 VanDerWaalsContact OE1-CB 3.25Å; E1093-T1194 WeakPolarHBondContact OE1-CB 3.34Å; E1093-T1194 PolarHBondContact OE1-N 3.04Å; E1093-T1194 PolarHBondContact OE1-OG1 3.01Å; F1097-T1194 HydrophobicContact CD2-CG2 4.22Å; F1097-T1194 HydrophobicContact CE2-CG2 3.89Å; F1097-T1194 HydrophobicContact CZ-CG2 4.05Å; S1142-T1194 WeakPolarHBondContact CB-OG1 3.3Å; S1142-T1194 PolarHBondContact OG-OG1 3.03Å; C1192-T1194 PolarHBondContact SG-O 3.16Å; C1192-T1194 VanDerWaalsContact SG-O 3.37Å; T1194-F1196 HydrophobicContact CG2-CD2 4.06Å; T1194-F1196 HydrophobicContact CG2-CE1 4.2Å; T1194-F1196 HydrophobicContact CG2-CE2 3.64Å; T1194-F1196 HydrophobicContact CG2-CZ 4.18Å |
| 1195 | L | 93.9 | Very high | 77.8 | Confident | 8.8 Ų | 8.8 | 54.7 Ų | 54.7 | 5% | 0.046 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 123.4 | 173.5 | 169.7 | 66.8 | 0 | 0 | 0 | 108.8 | L1088 V1089 M1090 H1141 L1178 I1188 I1197 | L1088-L1195 HydrophobicContact CB-CD1 4.14Å; L1088-L1195 HydrophobicContact CD2-CD1 4.32Å; V1089-L1195 CarbonylContact O-C 3.53Å; V1089-L1195 WeakPolarHBondContact O-CA 3.32Å; M1090-L1195 HydrophobicContact CG-CD1 3.62Å; M1090-L1195 HydrophobicContact SD-CD1 4.48Å; H1141-L1195 HydrophobicContact CB-CB 4.27Å; H1141-L1195 PolarHBondContact N-O 3.07Å; H1141-L1195 PolarHBondContact O-N 3.14Å; L1178-L1195 HydrophobicContact CD2-CD2 4.27Å; I1188-L1195 HydrophobicContact CD1-CD2 3.6Å; I1188-L1195 HydrophobicContact CG1-CD2 4.17Å; I1188-L1195 HydrophobicContact CG2-CD2 4.36Å; L1195-I1197 HydrophobicContact CD1-CG1 4.29Å; L1195-I1197 HydrophobicContact CD2-CD1 4.07Å; L1195-I1197 HydrophobicContact CD2-CG1 3.91Å; L1195-I1197 HydrophobicContact CG-CD1 4.49Å; L1195-I1197 HydrophobicContact CG-CG1 3.93Å |
| 1196 | F | 93.7 | Very high | 78 | Confident | 15.4 Ų | 15.4 | 54.7 Ų | 54.7 | 7% | 0.068 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 131.6 | 158.7 | -52 | -80.8 | 0 | 0 | 0 | 108.8 | I412 L1045 L1088 V1089 F1097 F1128 E1139 V1140 T1194 L1198 | I412-F1196 VanDerWaalsContact C-CD1 3.45Å; I412-F1196 HydrophobicContact CB-CD1 3.94Å; I412-F1196 HydrophobicContact CB-CE1 3.31Å; I412-F1196 HydrophobicContact CB-CZ 3.69Å; I412-F1196 HydrophobicContact CD1-CE1 4.29Å; I412-F1196 HydrophobicContact CD1-CZ 4.07Å; I412-F1196 HydrophobicContact CG1-CE1 4.31Å; I412-F1196 HydrophobicContact CG1-CZ 4.34Å; I412-F1196 HydrophobicContact CG2-CD1 3.89Å; I412-F1196 HydrophobicContact CG2-CE1 3.23Å; I412-F1196 HydrophobicContact CG2-CZ 4.03Å; L1045-F1196 HydrophobicContact CD2-CD1 3.81Å; L1045-F1196 HydrophobicContact CD2-CD2 3.8Å; L1045-F1196 HydrophobicContact CD2-CE1 3.4Å; L1045-F1196 HydrophobicContact CD2-CE2 3.92Å; L1045-F1196 HydrophobicContact CD2-CZ 4.09Å; L1088-F1196 CarbonylContact C-O 3.49Å; L1088-F1196 WeakPolarHBondContact CA-O 3.33Å; V1089-F1196 HydrophobicContact CB-CB 4Å; V1089-F1196 HydrophobicContact CB-CD2 4.05Å; V1089-F1196 HydrophobicContact CB-CG 4.31Å; V1089-F1196 HydrophobicContact CG1-CD2 4.12Å; V1089-F1196 HydrophobicContact CG1-CE2 4.34Å; V1089-F1196 HydrophobicContact CG1-CG 4.42Å; V1089-F1196 HydrophobicContact CG2-CB 4.38Å; V1089-F1196 PolarHBondContact N-O 3.16Å; V1089-F1196 WeakPolarHBondContact O-CD2 3.39Å; V1089-F1196 PolarHBondContact O-N 3.13Å; F1097-F1196 AromaticContact CE2-CE1 3.94Å; F1097-F1196 HydrophobicContact CE2-CE1 4.15Å; F1097-F1196 AromaticContact CE2-CZ 3.89Å; F1097-F1196 HydrophobicContact CE2-CZ 3.92Å; F1097-F1196 HydrophobicContact CZ-CE1 4.29Å; F1097-F1196 AromaticContact CZ-CZ 3.97Å; F1097-F1196 HydrophobicContact CZ-CZ 4.08Å; F1128-F1196 HydrophobicContact CD2-CE1 4.03Å; F1128-F1196 HydrophobicContact CD2-CZ 4.4Å; F1128-F1196 AromaticContact CE2-CD1 3.58Å; F1128-F1196 HydrophobicContact CE2-CD1 4.03Å; F1128-F1196 AromaticContact CE2-CE1 3.41Å; F1128-F1196 HydrophobicContact CE2-CE1 3.86Å; F1128-F1196 VanDerWaalsContact CE2-CE1 3.45Å; F1128-F1196 HydrophobicContact CE2-CE2 4.44Å; F1128-F1196 HydrophobicContact CE2-CG 4.41Å; F1128-F1196 HydrophobicContact CE2-CZ 4.22Å; F1128-F1196 HydrophobicContact CZ-CD1 4.18Å; F1128-F1196 HydrophobicContact CZ-CE1 4.11Å; E1139-F1196 VanDerWaalsContact O-CA 3.26Å; E1139-F1196 WeakPolarHBondContact O-CA 3.41Å; V1140-F1196 HydrophobicContact CB-CD1 4.2Å; V1140-F1196 HydrophobicContact CB-CE1 4.22Å; V1140-F1196 HydrophobicContact CG1-CD1 4.04Å; V1140-F1196 HydrophobicContact CG1-CE1 3.69Å; V1140-F1196 HydrophobicContact CG1-CZ 4.47Å; V1140-F1196 HydrophobicContact CG2-CD1 3.77Å; V1140-F1196 HydrophobicContact CG2-CE1 3.77Å; T1194-F1196 HydrophobicContact CG2-CD2 4.06Å; T1194-F1196 HydrophobicContact CG2-CE1 4.2Å; T1194-F1196 HydrophobicContact CG2-CE2 3.64Å; T1194-F1196 HydrophobicContact CG2-CZ 4.18Å; F1196-L1198 HydrophobicContact CB-CD2 4.12Å; F1196-L1198 HydrophobicContact CB-CG 4.42Å; F1196-L1198 PolarHBondContact O-N 3.3Å |
| 1197 | I | 92.1 | Very high | 77.6 | Confident | 1.2 Ų | 1.2 | 54.6 Ų | 54.6 | 1% | 0.006 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 120.8 | 166.9 | -53.7 | -176.3 | 0 | 0 | 0 | 105.9 | T414 I1069 T1071 L1088 E1139 L1178 L1195 P1199 | T414-I1197 PolarHBondContact N-O 3.31Å; I1069-I1197 HydrophobicContact CD1-CG2 3.9Å; T1071-I1197 HydrophobicContact CG2-CD1 4.08Å; T1071-I1197 HydrophobicContact CG2-CG2 4.34Å; L1088-I1197 HydrophobicContact CD2-CB 4.24Å; L1088-I1197 HydrophobicContact CD2-CD1 4.36Å; L1088-I1197 HydrophobicContact CD2-CG1 3.93Å; L1088-I1197 HydrophobicContact CD2-CG2 4.02Å; E1139-I1197 HydrophobicContact CB-CB 4.1Å; E1139-I1197 HydrophobicContact CG-CB 4.34Å; E1139-I1197 PolarHBondContact N-O 3.31Å; E1139-I1197 PolarHBondContact O-N 3.12Å; E1139-I1197 VanDerWaalsContact O-N 3.08Å; L1178-I1197 HydrophobicContact CD1-CD1 3.63Å; L1178-I1197 VanDerWaalsContact CD1-CD1 3.49Å; L1178-I1197 HydrophobicContact CD2-CD1 4.06Å; L1178-I1197 HydrophobicContact CG-CD1 4.39Å; L1195-I1197 HydrophobicContact CD1-CG1 4.29Å; L1195-I1197 HydrophobicContact CD2-CD1 4.07Å; L1195-I1197 HydrophobicContact CD2-CG1 3.91Å; L1195-I1197 HydrophobicContact CG-CD1 4.49Å; L1195-I1197 HydrophobicContact CG-CG1 3.93Å; I1197-P1199 VanDerWaalsContact C-CD 3.4Å; I1197-P1199 HydrophobicContact CG2-CB 4Å; I1197-P1199 HydrophobicContact CG2-CG 4.36Å; I1197-P1199 VanDerWaalsContact O-CD 3.31Å; I1197-P1199 WeakPolarHBondContact O-CD 3.34Å |
| 1198 | L | 91.6 | Very high | 76.7 | Confident | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 90.5 | 176.9 | -49.9 | -174.9 | 0 | 0 | 0 | 107.3 | T413 T414 L1045 S1086 L1087 V1089 V1131 I1134 T1135 P1138 F1196 L1200 | T413-L1198 WeakPolarHBondContact O-CD2 3.27Å; T414-L1198 VanDerWaalsContact CA-CA 3.41Å; T414-L1198 VanDerWaalsContact CA-CD2 3.49Å; T414-L1198 WeakPolarHBondContact OG1-CD1 3.42Å; L1045-L1198 HydrophobicContact CD1-CD1 4.27Å; S1086-L1198 WeakPolarHBondContact CA-O 3.37Å; S1086-L1198 WeakPolarHBondContact CB-O 3.3Å; S1086-L1198 PolarHBondContact OG-O 3.15Å; L1087-L1198 HydrophobicContact CB-CB 4.19Å; L1087-L1198 HydrophobicContact CB-CD1 3.74Å; L1087-L1198 HydrophobicContact CB-CG 3.68Å; L1087-L1198 HydrophobicContact CD2-CD1 4.22Å; L1087-L1198 HydrophobicContact CD2-CG 4.34Å; L1087-L1198 HydrophobicContact CG-CD1 3.83Å; L1087-L1198 HydrophobicContact CG-CG 3.97Å; L1087-L1198 PolarHBondContact N-O 3.14Å; L1087-L1198 WeakPolarHBondContact O-CA 3.42Å; L1087-L1198 WeakPolarHBondContact O-CB 3.39Å; L1087-L1198 WeakPolarHBondContact O-CG 3.44Å; L1087-L1198 PolarHBondContact O-N 3.25Å; V1089-L1198 HydrophobicContact CB-CD2 4.42Å; V1089-L1198 HydrophobicContact CG2-CD1 4.01Å; V1089-L1198 HydrophobicContact CG2-CD2 3.6Å; V1089-L1198 HydrophobicContact CG2-CG 4.09Å; V1131-L1198 HydrophobicContact CB-CD1 4.35Å; V1131-L1198 HydrophobicContact CB-CD2 4.19Å; V1131-L1198 HydrophobicContact CG1-CD1 4.2Å; V1131-L1198 HydrophobicContact CG1-CD2 4.39Å; V1131-L1198 HydrophobicContact CG2-CD2 4.23Å; I1134-L1198 HydrophobicContact CD1-CB 4.36Å; I1134-L1198 HydrophobicContact CD1-CD1 3.98Å; T1135-L1198 HydrophobicContact CG2-CB 3.87Å; T1135-L1198 HydrophobicContact CG2-CD2 3.87Å; T1135-L1198 HydrophobicContact CG2-CG 4.4Å; P1138-L1198 HydrophobicContact CB-CD2 3.6Å; F1196-L1198 HydrophobicContact CB-CD2 4.12Å; F1196-L1198 HydrophobicContact CB-CG 4.42Å; F1196-L1198 PolarHBondContact O-N 3.3Å; L1198-L1200 HydrophobicContact CB-CD2 3.53Å; L1198-L1200 WeakPolarHBondContact O-CD2 3.42Å; L1198-L1200 PolarHBondContact O-N 3.11Å; L1198-L1200 VanDerWaalsContact O-N 3.17Å |
| 1199 | P | 89.2 | Confident | 75.1 | Confident | 15 Ų | 15 | 60.9 Ų | 60.9 | 10% | 0.097 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 127.7 | 172.1 | -10.7 | 22.1 | 0 | 0 | 0 | 109.9 | T414 K415 S1086 T1135 T1137 E1139 I1197 N1201 | T414-P1199 CarbonylContact C-O 3.15Å; K415-P1199 WeakPolarHBondContact CA-O 3.49Å; K415-P1199 WeakPolarHBondContact CB-O 3.43Å; S1086-P1199 WeakPolarHBondContact OG-CA 3.38Å; T1135-P1199 WeakPolarHBondContact CA-O 3.38Å; T1135-P1199 WeakPolarHBondContact CB-O 3.36Å; T1135-P1199 WeakPolarHBondContact OG1-CD 3.41Å; T1135-P1199 PolarHBondContact OG1-O 3.26Å; T1137-P1199 VanDerWaalsContact O-CD 3.31Å; T1137-P1199 WeakPolarHBondContact O-CD 3.37Å; T1137-P1199 WeakPolarHBondContact O-CG 3.39Å; E1139-P1199 HydrophobicContact CB-CG 4.1Å; E1139-P1199 HydrophobicContact CG-CG 3.77Å; I1197-P1199 VanDerWaalsContact C-CD 3.4Å; I1197-P1199 HydrophobicContact CG2-CB 4Å; I1197-P1199 HydrophobicContact CG2-CG 4.36Å; I1197-P1199 VanDerWaalsContact O-CD 3.31Å; I1197-P1199 WeakPolarHBondContact O-CD 3.34Å; P1199-N1201 PolarHBondContact O-N 3.29Å |
| 1200 | L | 87.1 | Confident | 73.3 | Confident | 12.2 Ų | 12.2 | 61.9 Ų | 61.9 | 6% | 0.064 | 33% | 0.327 | C | S | . | . | trans | -84.8 | 136.9 | -164.8 | -58.5 | -172.4 | 0 | 0 | 0 | 111 | K415 Y416 L1066 F1085 L1087 I1134 L1198 S1202 P1216 I1220 | K415-L1200 VanDerWaalsContact C-CG 3.47Å; K415-L1200 HydrophobicContact CB-CB 4.23Å; K415-L1200 HydrophobicContact CB-CD2 4.32Å; K415-L1200 VanDerWaalsContact O-CD2 3.31Å; K415-L1200 WeakPolarHBondContact O-CD2 3.34Å; Y416-L1200 VanDerWaalsContact CA-CB 3.49Å; Y416-L1200 VanDerWaalsContact CA-CD1 3.44Å; Y416-L1200 VanDerWaalsContact CB-C 3.48Å; Y416-L1200 HydrophobicContact CD1-CB 2.91Å; Y416-L1200 HydrophobicContact CD1-CD1 3.81Å; Y416-L1200 HydrophobicContact CD1-CG 3.84Å; Y416-L1200 HydrophobicContact CD2-CB 4.34Å; Y416-L1200 WeakPolarHBondContact CD2-O 3.41Å; Y416-L1200 HydrophobicContact CE1-CB 3.47Å; Y416-L1200 VanDerWaalsContact CE1-CB 3.47Å; Y416-L1200 HydrophobicContact CE1-CG 4.44Å; Y416-L1200 VanDerWaalsContact CE1-O 3.3Å; Y416-L1200 WeakPolarHBondContact CE1-O 3.21Å; Y416-L1200 WeakPolarHBondContact CE2-O 3.34Å; Y416-L1200 HydrophobicContact CG-CB 3.26Å; Y416-L1200 HydrophobicContact CG-CD1 4.44Å; Y416-L1200 HydrophobicContact CG-CG 4.44Å; Y416-L1200 VanDerWaalsContact N-CB 3.34Å; Y416-L1200 PolarHBondContact OH-O 2.79Å; L1066-L1200 HydrophobicContact CD1-CD1 3.8Å; F1085-L1200 HydrophobicContact CB-CB 4.41Å; F1085-L1200 HydrophobicContact CB-CD1 3.88Å; F1085-L1200 HydrophobicContact CB-CG 4.33Å; F1085-L1200 WeakPolarHBondContact O-CB 3.38Å; F1085-L1200 WeakPolarHBondContact O-CD1 3.49Å; F1085-L1200 WeakPolarHBondContact O-CG 3.28Å; F1085-L1200 PolarHBondContact O-N 3.03Å; L1087-L1200 HydrophobicContact CB-CD2 4.22Å; I1134-L1200 HydrophobicContact CB-CD2 4.32Å; I1134-L1200 HydrophobicContact CD1-CD2 3.89Å; I1134-L1200 CarbonylContact O-C 3.59Å; I1134-L1200 WeakPolarHBondContact O-CA 3.39Å; L1198-L1200 HydrophobicContact CB-CD2 3.53Å; L1198-L1200 WeakPolarHBondContact O-CD2 3.42Å; L1198-L1200 PolarHBondContact O-N 3.11Å; L1198-L1200 VanDerWaalsContact O-N 3.17Å; L1200-S1202 PolarHBondContact O-N 3.27Å; L1200-P1216 HydrophobicContact CB-CB 4.1Å; L1200-P1216 HydrophobicContact CD1-CB 3.94Å; L1200-I1220 HydrophobicContact CD1-CB 4.48Å; L1200-I1220 HydrophobicContact CD1-CG1 3.64Å; L1200-I1220 HydrophobicContact CD2-CD1 4.12Å; L1200-I1220 HydrophobicContact CD2-CG1 3.93Å; L1200-I1220 HydrophobicContact CG-CG1 4.44Å | ||
| 1201 | N | 80.5 | Confident | 71.7 | Confident | 20.8 Ų | 20.8 | 67 Ų | 67 | 11% | 0.111 | 33% | 0.327 | C | S | . | . | P | Polyproline II helix | trans | -65.1 | 128.1 | 177.1 | -71 | -9.4 | 0 | 0 | 0 | 110.7 | I1134 T1135 D1136 P1199 E1203 T1204 L1205 | I1134-N1201 PolarHBondContact O-N 3.23Å; T1135-N1201 VanDerWaalsContact CA-OD1 3.31Å; T1135-N1201 WeakPolarHBondContact CA-OD1 3.37Å; D1136-N1201 WeakPolarHBondContact CB-OD1 3.38Å; D1136-N1201 VanDerWaalsContact CG-CG 3.5Å; D1136-N1201 VanDerWaalsContact CG-ND2 3.27Å; D1136-N1201 VanDerWaalsContact CG-OD1 3.28Å; D1136-N1201 PolarHBondContact N-ND2 3.21Å; D1136-N1201 PolarHBondContact N-OD1 3.06Å; D1136-N1201 PolarHBondContact OD1-ND2 2.92Å; D1136-N1201 PolarHBondContact OD1-OD1 3.41Å; D1136-N1201 PolarHBondContact OD2-ND2 3.12Å; D1136-N1201 PolarHBondContact OD2-OD1 3.25Å; P1199-N1201 PolarHBondContact O-N 3.29Å; N1201-E1203 VanDerWaalsContact C-N 3.26Å; N1201-E1203 PolarHBondContact O-N 2.9Å; N1201-T1204 HydrophobicContact CB-CG2 3.91Å; N1201-T1204 WeakPolarHBondContact CB-OG1 3.47Å; N1201-T1204 PolarHBondContact ND2-OG1 2.85Å; N1201-T1204 PolarHBondContact O-N 2.9Å; N1201-T1204 PolarHBondContact O-OG1 3.13Å; N1201-L1205 WeakPolarHBondContact O-CD1 3.43Å; N1201-L1205 WeakPolarHBondContact O-CG 3.34Å |
| 1202 | S | 66.7 | Low | 69.8 | Low | 85.4 Ų | 85.4 | 67.5 Ų | 67.5 | 60% | 0.597 | 34% | 0.335 | S | S | * | . | S | Bend | trans | -71.1 | -20.8 | 178.2 | -41.5 | 0 | 0 | 0 | 0 | 113.2 | L1200 T1204 L1205 | L1200-S1202 PolarHBondContact O-N 3.27Å; S1202-T1204 PolarHBondContact O-N 3.36Å; S1202-L1205 WeakPolarHBondContact O-CB 3.42Å |
| 1203 | E | 58.4 | Low | 68 | Low | 159.2 Ų | 159.2 | 72.1 Ų | 72.1 | 74% | 0.744 | 36% | 0.362 | S | S | * | . | S | Bend | trans | -87.1 | -9.2 | -176.6 | -68.2 | -172.2 | 171.1 | 0 | 0 | 113.7 | N1201 L1205 I1206 | N1201-E1203 VanDerWaalsContact C-N 3.26Å; N1201-E1203 PolarHBondContact O-N 2.9Å; E1203-L1205 VanDerWaalsContact C-N 3.31Å; E1203-L1205 PolarHBondContact O-N 3.04Å; E1203-L1205 VanDerWaalsContact O-N 3.15Å; E1203-I1206 PolarHBondContact O-N 3.04Å |
| 1204 | T | 50.9 | Low | 66.7 | Low | 61.6 Ų | 61.6 | 69.4 Ų | 69.4 | 38% | 0.378 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | 4.5 | -177.3 | 47.5 | 0 | 0 | 0 | 0 | 112.9 | N1201 S1202 I1206 N1207 V1213 | N1201-T1204 HydrophobicContact CB-CG2 3.91Å; N1201-T1204 WeakPolarHBondContact CB-OG1 3.47Å; N1201-T1204 PolarHBondContact ND2-OG1 2.85Å; N1201-T1204 PolarHBondContact O-N 2.9Å; N1201-T1204 PolarHBondContact O-OG1 3.13Å; S1202-T1204 PolarHBondContact O-N 3.36Å; T1204-I1206 VanDerWaalsContact C-N 3.32Å; T1204-I1206 PolarHBondContact O-N 3.16Å; T1204-N1207 PolarHBondContact O-N 3.2Å; T1204-V1213 HydrophobicContact CG2-CG1 3.53Å |
| 1205 | L | 50.3 | Low | 65.8 | Low | 34.2 Ų | 34.2 | 71.5 Ų | 71.5 | 18% | 0.179 | 37% | 0.366 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.4 | 13.5 | -178.9 | -92.4 | 150 | 0 | 0 | 0 | 113.4 | N1201 S1202 E1203 N1207 V1213 Q1214 P1216 Y1219 | N1201-L1205 WeakPolarHBondContact O-CD1 3.43Å; N1201-L1205 WeakPolarHBondContact O-CG 3.34Å; S1202-L1205 WeakPolarHBondContact O-CB 3.42Å; E1203-L1205 VanDerWaalsContact C-N 3.31Å; E1203-L1205 PolarHBondContact O-N 3.04Å; E1203-L1205 VanDerWaalsContact O-N 3.15Å; L1205-N1207 VanDerWaalsContact C-N 3.27Å; L1205-N1207 PolarHBondContact O-N 3.17Å; L1205-N1207 VanDerWaalsContact O-N 3.11Å; L1205-V1213 HydrophobicContact CD1-CG1 4.44Å; L1205-V1213 VanDerWaalsContact CD2-C 3.49Å; L1205-V1213 HydrophobicContact CD2-CB 4.05Å; L1205-V1213 HydrophobicContact CD2-CG1 3.48Å; L1205-V1213 VanDerWaalsContact CD2-CG1 3.43Å; L1205-V1213 HydrophobicContact CD2-CG2 4.45Å; L1205-Q1214 HydrophobicContact CD1-CB 4.42Å; L1205-Q1214 VanDerWaalsContact CD1-O 3.3Å; L1205-Q1214 WeakPolarHBondContact CD1-O 3.36Å; L1205-Q1214 WeakPolarHBondContact CD2-O 3.44Å; L1205-Q1214 VanDerWaalsContact CG-O 3.25Å; L1205-Q1214 WeakPolarHBondContact CG-O 3.29Å; L1205-P1216 HydrophobicContact CD1-CB 3.66Å; L1205-P1216 HydrophobicContact CD1-CG 4.04Å; L1205-P1216 HydrophobicContact CG-CG 4.49Å; L1205-Y1219 HydrophobicContact CD1-CD1 3.79Å; L1205-Y1219 VanDerWaalsContact CD1-CD1 3.47Å; L1205-Y1219 HydrophobicContact CD1-CD2 4.43Å; L1205-Y1219 HydrophobicContact CD1-CE1 3.86Å; L1205-Y1219 HydrophobicContact CD1-CG 3.76Å; L1205-Y1219 VanDerWaalsContact CD2-CB 3.42Å; L1205-Y1219 HydrophobicContact CD2-CD1 3.31Å; L1205-Y1219 HydrophobicContact CD2-CD2 3.63Å; L1205-Y1219 HydrophobicContact CD2-CE1 3.76Å; L1205-Y1219 HydrophobicContact CD2-CE2 4.18Å; L1205-Y1219 HydrophobicContact CD2-CG 3.61Å; L1205-Y1219 HydrophobicContact CG-CD1 4.14Å; L1205-Y1219 HydrophobicContact CG-CE1 4.49Å |
| 1206 | I | 45.9 | Very low | 65.1 | Low | 111 Ų | 111 | 72.2 Ų | 72.2 | 57% | 0.569 | 37% | 0.371 | S | S | * | . | trans | -76.9 | 86.6 | 165.3 | -52.4 | 175 | 0 | 0 | 0 | 106.7 | E1203 T1204 R1208 | E1203-I1206 PolarHBondContact O-N 3.04Å; T1204-I1206 VanDerWaalsContact C-N 3.32Å; T1204-I1206 PolarHBondContact O-N 3.16Å; I1206-R1208 VanDerWaalsContact C-N 3.3Å; I1206-R1208 HydrophobicContact CG2-CG 4.28Å; I1206-R1208 VanDerWaalsContact O-CG 3.3Å; I1206-R1208 WeakPolarHBondContact O-CG 3.46Å; I1206-R1208 PolarHBondContact O-N 3.07Å; I1206-R1208 VanDerWaalsContact O-N 3.07Å | ||
| 1207 | N | 46.3 | Very low | 64.5 | Low | 58.2 Ų | 58.2 | 71.6 Ų | 71.6 | 31% | 0.311 | 37% | 0.369 | S | S | . | . | trans | -55.6 | 102.7 | 169 | -148 | -20.5 | 0 | 0 | 0 | 107.3 | P915 T1204 L1205 S1209 T1210 R1211 Y1219 | P915-N1207 HydrophobicContact CB-CB 3.89Å; P915-N1207 WeakPolarHBondContact CB-O 3.37Å; P915-N1207 WeakPolarHBondContact CB-OD1 3.14Å; P915-N1207 HydrophobicContact CG-CB 3.91Å; P915-N1207 VanDerWaalsContact CG-CG 3.47Å; P915-N1207 WeakPolarHBondContact CG-ND2 3.18Å; T1204-N1207 PolarHBondContact O-N 3.2Å; L1205-N1207 VanDerWaalsContact C-N 3.27Å; L1205-N1207 PolarHBondContact O-N 3.17Å; L1205-N1207 VanDerWaalsContact O-N 3.11Å; N1207-S1209 PolarHBondContact O-N 3.16Å; N1207-S1209 WeakPolarHBondContact OD1-CB 3.32Å; N1207-S1209 PolarHBondContact OD1-N 3.01Å; N1207-T1210 WeakPolarHBondContact CB-OG1 3.49Å; N1207-T1210 CarbonylContact O-C 3.52Å; N1207-T1210 PolarHBondContact O-N 3.1Å; N1207-T1210 VanDerWaalsContact O-N 3.12Å; N1207-T1210 VanDerWaalsContact O-O 3.07Å; N1207-R1211 PolarHBondContact O-N 3.04Å; N1207-Y1219 WeakPolarHBondContact ND2-CE2 3.4Å | ||
| 1208 | R | 46.6 | Very low | 64.1 | Low | 218.6 Ų | 218.6 | 75.3 Ų | 75.3 | 83% | 0.825 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.5 | -22.7 | -166.6 | -70.8 | -175.8 | -172.4 | 148.4 | 7.5 | 113.1 | E1032 I1206 T1210 | E1032-R1208 IonicContact OE1-NH2 3.06Å; I1206-R1208 VanDerWaalsContact C-N 3.3Å; I1206-R1208 HydrophobicContact CG2-CG 4.28Å; I1206-R1208 VanDerWaalsContact O-CG 3.3Å; I1206-R1208 WeakPolarHBondContact O-CG 3.46Å; I1206-R1208 PolarHBondContact O-N 3.07Å; I1206-R1208 VanDerWaalsContact O-N 3.07Å; R1208-T1210 VanDerWaalsContact C-N 3.34Å; R1208-T1210 PolarHBondContact O-N 3.19Å |
| 1209 | S | 47.5 | Very low | 63.7 | Low | 97 Ų | 97 | 77.5 Ų | 77.5 | 68% | 0.678 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84 | -26.2 | 179.6 | -38.6 | 0 | 0 | 0 | 0 | 114.5 | K877 S916 F918 N1207 | K877-S1209 WeakPolarHBondContact CE-O 3.37Å; K877-S1209 PolarHBondContact NZ-O 2.97Å; S916-S1209 WeakPolarHBondContact O-CB 3.49Å; S916-S1209 PolarHBondContact O-OG 3.27Å; F918-S1209 PolarHBondContact N-OG 3.4Å; N1207-S1209 PolarHBondContact O-N 3.16Å; N1207-S1209 WeakPolarHBondContact OD1-CB 3.32Å; N1207-S1209 PolarHBondContact OD1-N 3.01Å |
| 1210 | T | 46.6 | Very low | 63.7 | Low | 55.8 Ų | 55.8 | 76.9 Ų | 76.9 | 34% | 0.342 | 39% | 0.393 | S | S | . | . | trans | -130.8 | 112.1 | -178.1 | 60.9 | 0 | 0 | 0 | 0 | 111.8 | P915 N1207 R1208 I1212 | P915-T1210 HydrophobicContact CB-CG2 3.73Å; P915-T1210 VanDerWaalsContact CB-OG1 3.29Å; P915-T1210 WeakPolarHBondContact CB-OG1 3.5Å; P915-T1210 HydrophobicContact CG-CG2 3.99Å; P915-T1210 WeakPolarHBondContact CG-OG1 3.44Å; N1207-T1210 WeakPolarHBondContact CB-OG1 3.49Å; N1207-T1210 CarbonylContact O-C 3.52Å; N1207-T1210 PolarHBondContact O-N 3.1Å; N1207-T1210 VanDerWaalsContact O-N 3.12Å; N1207-T1210 VanDerWaalsContact O-O 3.07Å; R1208-T1210 VanDerWaalsContact C-N 3.34Å; R1208-T1210 PolarHBondContact O-N 3.19Å; T1210-I1212 PolarHBondContact O-N 3.16Å; T1210-I1212 VanDerWaalsContact O-N 3.12Å; T1210-I1212 PolarHBondContact OG1-N 3.09Å | ||
| 1211 | R | 49.7 | Very low | 63.8 | Low | 235.6 Ų | 235.6 | 76.6 Ų | 76.6 | 89% | 0.889 | 39% | 0.391 | S | S | * | . | trans | -58.8 | 30.1 | 179.5 | -76.6 | -177.1 | -142.5 | -173.2 | -0.3 | 113.3 | K877 N1207 | K877-R1211 HydrophobicContact CB-CB 4.36Å; K877-R1211 HydrophobicContact CD-CB 3.95Å; K877-R1211 HydrophobicContact CD-CG 3.93Å; K877-R1211 HydrophobicContact CG-CB 3.93Å; K877-R1211 HydrophobicContact CG-CG 4.46Å; N1207-R1211 PolarHBondContact O-N 3.04Å | ||
| 1212 | I | 50.8 | Low | 64.1 | Low | 97.4 Ų | 97.4 | 79.1 Ų | 79.1 | 50% | 0.499 | 40% | 0.403 | S | S | . | . | trans | -93.8 | 116.5 | 176.7 | -58.2 | 174.9 | 0 | 0 | 0 | 107.3 | I913 T1210 Q1214 | I913-I1212 HydrophobicContact CG2-CD1 4.45Å; T1210-I1212 PolarHBondContact O-N 3.16Å; T1210-I1212 VanDerWaalsContact O-N 3.12Å; T1210-I1212 PolarHBondContact OG1-N 3.09Å; I1212-Q1214 HydrophobicContact CG2-CG 4.1Å; I1212-Q1214 PolarHBondContact O-N 3.08Å; I1212-Q1214 VanDerWaalsContact O-N 3.13Å | ||
| 1213 | V | 53.2 | Low | 65.1 | Low | 120 Ų | 120 | 75.7 Ų | 75.7 | 73% | 0.727 | 38% | 0.377 | S | S | * | . | trans | -75 | 97.8 | 173.1 | 179.5 | 0 | 0 | 0 | 0 | 107.8 | T1204 L1205 | T1204-V1213 HydrophobicContact CG2-CG1 3.53Å; L1205-V1213 HydrophobicContact CD1-CG1 4.44Å; L1205-V1213 VanDerWaalsContact CD2-C 3.49Å; L1205-V1213 HydrophobicContact CD2-CB 4.05Å; L1205-V1213 HydrophobicContact CD2-CG1 3.48Å; L1205-V1213 VanDerWaalsContact CD2-CG1 3.43Å; L1205-V1213 HydrophobicContact CD2-CG2 4.45Å | ||
| 1214 | Q | 65 | Low | 66.6 | Low | 45.6 Ų | 45.6 | 68.2 Ų | 68.2 | 21% | 0.213 | 34% | 0.343 | C | S | . | . | trans | -88.7 | 148.8 | 172.4 | -70.1 | -179.9 | -25.9 | 0 | 0 | 110.3 | L1205 I1212 L1218 Q1222 | L1205-Q1214 HydrophobicContact CD1-CB 4.42Å; L1205-Q1214 VanDerWaalsContact CD1-O 3.3Å; L1205-Q1214 WeakPolarHBondContact CD1-O 3.36Å; L1205-Q1214 WeakPolarHBondContact CD2-O 3.44Å; L1205-Q1214 VanDerWaalsContact CG-O 3.25Å; L1205-Q1214 WeakPolarHBondContact CG-O 3.29Å; I1212-Q1214 HydrophobicContact CG2-CG 4.1Å; I1212-Q1214 PolarHBondContact O-N 3.08Å; I1212-Q1214 VanDerWaalsContact O-N 3.13Å; Q1214-L1218 HydrophobicContact CB-CD2 4.14Å; Q1214-L1218 HydrophobicContact CG-CD2 4.24Å; Q1214-Q1222 VanDerWaalsContact NE2-OE1 3.13Å | ||
| 1215 | S | 75.6 | Confident | 68.4 | Low | 49 Ų | 49 | 70.3 Ų | 70.3 | 34% | 0.343 | 35% | 0.348 | S | S | . | . | trans | -67.5 | 144.8 | 172.1 | 66.8 | 0 | 0 | 0 | 0 | 110.2 | A1217 L1218 Y1219 | S1215-A1217 PolarHBondContact O-N 3.05Å; S1215-A1217 VanDerWaalsContact O-N 3.12Å; S1215-L1218 WeakPolarHBondContact O-CB 3.44Å; S1215-L1218 PolarHBondContact O-N 3Å; S1215-L1218 VanDerWaalsContact O-N 3.1Å; S1215-L1218 VanDerWaalsContact OG-CB 3.29Å; S1215-L1218 WeakPolarHBondContact OG-CB 3.32Å; S1215-L1218 PolarHBondContact OG-N 3.21Å; S1215-Y1219 PolarHBondContact O-N 3.05Å; S1215-Y1219 VanDerWaalsContact O-N 3.08Å | ||
| 1216 | P | 79.1 | Confident | 70.1 | Confident | 24 Ų | 24 | 73.6 Ų | 73.6 | 16% | 0.156 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -54.1 | -36.1 | 175.9 | -27.5 | 34.9 | 0 | 0 | 0 | 113 | F1085 L1200 L1205 Y1219 I1220 | F1085-P1216 HydrophobicContact CD2-CB 4.18Å; F1085-P1216 HydrophobicContact CD2-CG 4.14Å; L1200-P1216 HydrophobicContact CB-CB 4.1Å; L1200-P1216 HydrophobicContact CD1-CB 3.94Å; L1205-P1216 HydrophobicContact CD1-CB 3.66Å; L1205-P1216 HydrophobicContact CD1-CG 4.04Å; L1205-P1216 HydrophobicContact CG-CG 4.49Å; P1216-Y1219 PolarHBondContact O-N 3.12Å; P1216-I1220 WeakPolarHBondContact O-CG1 3.28Å; P1216-I1220 PolarHBondContact O-N 3.22Å |
| 1217 | A | 81.7 | Confident | 72.1 | Confident | 2.4 Ų | 2.4 | 69.8 Ų | 69.8 | 2% | 0.02 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -57.9 | -50.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | L1066 F1085 S1215 Y1219 I1220 T1221 E1248 | L1066-A1217 VanDerWaalsContact CD2-CA 3.47Å; L1066-A1217 HydrophobicContact CD2-CB 3.48Å; L1066-A1217 VanDerWaalsContact CD2-CB 3.44Å; F1085-A1217 HydrophobicContact CD1-CB 4.14Å; F1085-A1217 HydrophobicContact CD2-CB 4.2Å; F1085-A1217 HydrophobicContact CE1-CB 4.14Å; F1085-A1217 HydrophobicContact CE2-CB 4.19Å; F1085-A1217 HydrophobicContact CG-CB 4.23Å; F1085-A1217 HydrophobicContact CZ-CB 4.21Å; S1215-A1217 PolarHBondContact O-N 3.05Å; S1215-A1217 VanDerWaalsContact O-N 3.12Å; A1217-Y1219 VanDerWaalsContact C-N 3.31Å; A1217-Y1219 PolarHBondContact O-N 3.01Å; A1217-I1220 PolarHBondContact O-N 3.03Å; A1217-T1221 WeakPolarHBondContact O-CB 3.4Å; A1217-T1221 PolarHBondContact O-N 3.08Å; A1217-T1221 PolarHBondContact O-OG1 2.98Å; A1217-T1221 VanDerWaalsContact O-OG1 3.05Å; A1217-E1248 HydrophobicContact CB-CB 4.49Å; A1217-E1248 VanDerWaalsContact CB-CD 3.46Å; A1217-E1248 HydrophobicContact CB-CG 4.21Å; A1217-E1248 WeakPolarHBondContact CB-OE2 3.44Å |
| 1218 | L | 83.2 | Confident | 74.3 | Confident | 78 Ų | 78 | 67.5 Ų | 67.5 | 41% | 0.408 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -64.8 | -41 | 179.6 | -171.3 | 107.8 | 0 | 0 | 0 | 111 | Q1214 S1215 I1220 T1221 Q1222 | Q1214-L1218 HydrophobicContact CB-CD2 4.14Å; Q1214-L1218 HydrophobicContact CG-CD2 4.24Å; S1215-L1218 WeakPolarHBondContact O-CB 3.44Å; S1215-L1218 PolarHBondContact O-N 3Å; S1215-L1218 VanDerWaalsContact O-N 3.1Å; S1215-L1218 VanDerWaalsContact OG-CB 3.29Å; S1215-L1218 WeakPolarHBondContact OG-CB 3.32Å; S1215-L1218 PolarHBondContact OG-N 3.21Å; L1218-I1220 PolarHBondContact O-N 3.3Å; L1218-T1221 WeakPolarHBondContact O-CB 3.37Å; L1218-T1221 PolarHBondContact O-N 3.03Å; L1218-Q1222 WeakPolarHBondContact O-CB 3.41Å; L1218-Q1222 WeakPolarHBondContact O-CG 3.3Å; L1218-Q1222 PolarHBondContact O-N 3.17Å |
| 1219 | Y | 84 | Confident | 76.4 | Confident | 46.4 Ų | 46.4 | 62.1 Ų | 62.1 | 18% | 0.182 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -60.3 | -48.6 | 177 | 177.6 | -108.7 | 0 | 0 | 0 | 112.1 | P1038 L1205 N1207 S1215 P1216 A1217 T1221 Q1222 L1223 | P1038-Y1219 VanDerWaalsContact CB-OH 3.29Å; P1038-Y1219 WeakPolarHBondContact CB-OH 3.32Å; L1205-Y1219 HydrophobicContact CD1-CD1 3.79Å; L1205-Y1219 VanDerWaalsContact CD1-CD1 3.47Å; L1205-Y1219 HydrophobicContact CD1-CD2 4.43Å; L1205-Y1219 HydrophobicContact CD1-CE1 3.86Å; L1205-Y1219 HydrophobicContact CD1-CG 3.76Å; L1205-Y1219 VanDerWaalsContact CD2-CB 3.42Å; L1205-Y1219 HydrophobicContact CD2-CD1 3.31Å; L1205-Y1219 HydrophobicContact CD2-CD2 3.63Å; L1205-Y1219 HydrophobicContact CD2-CE1 3.76Å; L1205-Y1219 HydrophobicContact CD2-CE2 4.18Å; L1205-Y1219 HydrophobicContact CD2-CG 3.61Å; L1205-Y1219 HydrophobicContact CG-CD1 4.14Å; L1205-Y1219 HydrophobicContact CG-CE1 4.49Å; N1207-Y1219 WeakPolarHBondContact ND2-CE2 3.4Å; S1215-Y1219 PolarHBondContact O-N 3.05Å; S1215-Y1219 VanDerWaalsContact O-N 3.08Å; P1216-Y1219 PolarHBondContact O-N 3.12Å; A1217-Y1219 VanDerWaalsContact C-N 3.31Å; A1217-Y1219 PolarHBondContact O-N 3.01Å; Y1219-T1221 VanDerWaalsContact C-N 3.32Å; Y1219-T1221 PolarHBondContact O-N 3.06Å; Y1219-Q1222 WeakPolarHBondContact O-CB 3.28Å; Y1219-Q1222 PolarHBondContact O-N 3.14Å; Y1219-L1223 HydrophobicContact CD1-CD1 4.11Å; Y1219-L1223 HydrophobicContact CD1-CG 4.36Å; Y1219-L1223 HydrophobicContact CE1-CD1 3.5Å; Y1219-L1223 VanDerWaalsContact CE1-CD1 3.48Å; Y1219-L1223 HydrophobicContact CE1-CD2 4.49Å; Y1219-L1223 HydrophobicContact CE1-CG 4.16Å; Y1219-L1223 HydrophobicContact CE2-CD1 4.38Å; Y1219-L1223 HydrophobicContact CE2-CD2 4.29Å; Y1219-L1223 HydrophobicContact CE2-CG 4.29Å; Y1219-L1223 WeakPolarHBondContact O-CG 3.36Å; Y1219-L1223 PolarHBondContact O-N 3.05Å |
| 1220 | I | 88.5 | Confident | 78.6 | Confident | 2 Ų | 2 | 57.8 Ų | 57.8 | 1% | 0.01 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -63.2 | -41.3 | 176.5 | -66.9 | -61.5 | 0 | 0 | 0 | 111.6 | F1041 L1066 L1087 I1134 L1200 P1216 A1217 L1218 Q1222 L1223 I1224 | F1041-I1220 HydrophobicContact CZ-CD1 4.15Å; L1066-I1220 HydrophobicContact CD1-CG2 4.5Å; L1087-I1220 HydrophobicContact CD1-CG2 4.35Å; L1087-I1220 HydrophobicContact CD2-CG2 4.31Å; I1134-I1220 HydrophobicContact CB-CD1 4.25Å; I1134-I1220 HydrophobicContact CD1-CD1 4.13Å; I1134-I1220 HydrophobicContact CG2-CD1 3.83Å; L1200-I1220 HydrophobicContact CD1-CB 4.48Å; L1200-I1220 HydrophobicContact CD1-CG1 3.64Å; L1200-I1220 HydrophobicContact CD2-CD1 4.12Å; L1200-I1220 HydrophobicContact CD2-CG1 3.93Å; L1200-I1220 HydrophobicContact CG-CG1 4.44Å; P1216-I1220 WeakPolarHBondContact O-CG1 3.28Å; P1216-I1220 PolarHBondContact O-N 3.22Å; A1217-I1220 PolarHBondContact O-N 3.03Å; L1218-I1220 PolarHBondContact O-N 3.3Å; I1220-Q1222 VanDerWaalsContact C-N 3.31Å; I1220-Q1222 PolarHBondContact O-N 3.19Å; I1220-L1223 HydrophobicContact CD1-CD1 4.4Å; I1220-L1223 PolarHBondContact O-N 3.03Å; I1220-I1224 HydrophobicContact CG2-CD1 3.85Å; I1220-I1224 HydrophobicContact CG2-CG1 4.44Å; I1220-I1224 WeakPolarHBondContact O-CB 3.47Å; I1220-I1224 WeakPolarHBondContact O-CG1 3.38Å; I1220-I1224 PolarHBondContact O-N 3.15Å |
| 1221 | T | 88.7 | Confident | 80.8 | Confident | 5.4 Ų | 5.4 | 56 Ų | 56 | 3% | 0.033 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -57.5 | -45.2 | 174.6 | -62.1 | 0 | 0 | 0 | 0 | 111.1 | A1217 L1218 Y1219 I1224 Q1225 F1244 S1249 I1251 | A1217-T1221 WeakPolarHBondContact O-CB 3.4Å; A1217-T1221 PolarHBondContact O-N 3.08Å; A1217-T1221 PolarHBondContact O-OG1 2.98Å; A1217-T1221 VanDerWaalsContact O-OG1 3.05Å; L1218-T1221 WeakPolarHBondContact O-CB 3.37Å; L1218-T1221 PolarHBondContact O-N 3.03Å; Y1219-T1221 VanDerWaalsContact C-N 3.32Å; Y1219-T1221 PolarHBondContact O-N 3.06Å; T1221-I1224 PolarHBondContact O-N 3.18Å; T1221-Q1225 WeakPolarHBondContact O-CB 3.28Å; T1221-Q1225 WeakPolarHBondContact O-CG 3.37Å; T1221-Q1225 PolarHBondContact O-N 3.23Å; T1221-F1244 HydrophobicContact CG2-CE1 4.18Å; T1221-F1244 HydrophobicContact CG2-CZ 4.36Å; T1221-S1249 PolarHBondContact OG1-OG 3.08Å; T1221-I1251 HydrophobicContact CG2-CD1 3.59Å |
| 1222 | Q | 86.7 | Confident | 83 | Confident | 74.8 Ų | 74.8 | 44.9 Ų | 44.9 | 35% | 0.35 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -64.9 | -41.6 | 177.3 | -110.4 | 174.4 | -4.4 | 0 | 0 | 112.1 | Q1214 L1218 Y1219 I1220 I1224 Q1225 T1226 | Q1214-Q1222 VanDerWaalsContact NE2-OE1 3.13Å; L1218-Q1222 WeakPolarHBondContact O-CB 3.41Å; L1218-Q1222 WeakPolarHBondContact O-CG 3.3Å; L1218-Q1222 PolarHBondContact O-N 3.17Å; Y1219-Q1222 WeakPolarHBondContact O-CB 3.28Å; Y1219-Q1222 PolarHBondContact O-N 3.14Å; I1220-Q1222 VanDerWaalsContact C-N 3.31Å; I1220-Q1222 PolarHBondContact O-N 3.19Å; Q1222-I1224 VanDerWaalsContact C-N 3.32Å; Q1222-I1224 PolarHBondContact O-N 2.98Å; Q1222-Q1225 PolarHBondContact O-N 3.26Å; Q1222-T1226 HydrophobicContact CG-CG2 4.41Å; Q1222-T1226 WeakPolarHBondContact O-CB 3.24Å; Q1222-T1226 VanDerWaalsContact O-CG2 3.3Å; Q1222-T1226 WeakPolarHBondContact O-CG2 3.42Å; Q1222-T1226 PolarHBondContact O-N 3.13Å; Q1222-T1226 PolarHBondContact O-OG1 3.26Å |
| 1223 | L | 88.5 | Confident | 85.1 | Confident | 12.8 Ų | 12.8 | 40.3 Ų | 40.3 | 7% | 0.067 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -61.4 | -41.9 | 174.9 | -70.5 | -173.6 | 0 | 0 | 0 | 111.8 | P1038 F1041 L1042 Y1219 I1220 T1226 T1227 | P1038-L1223 HydrophobicContact CB-CD1 4.33Å; P1038-L1223 HydrophobicContact CB-CD2 3.76Å; P1038-L1223 VanDerWaalsContact CB-CD2 3.47Å; P1038-L1223 HydrophobicContact CG-CD2 3.74Å; F1041-L1223 HydrophobicContact CE1-CD1 4.06Å; L1042-L1223 HydrophobicContact CD1-CB 4.48Å; Y1219-L1223 HydrophobicContact CD1-CD1 4.11Å; Y1219-L1223 HydrophobicContact CD1-CG 4.36Å; Y1219-L1223 HydrophobicContact CE1-CD1 3.5Å; Y1219-L1223 VanDerWaalsContact CE1-CD1 3.48Å; Y1219-L1223 HydrophobicContact CE1-CD2 4.49Å; Y1219-L1223 HydrophobicContact CE1-CG 4.16Å; Y1219-L1223 HydrophobicContact CE2-CD1 4.38Å; Y1219-L1223 HydrophobicContact CE2-CD2 4.29Å; Y1219-L1223 HydrophobicContact CE2-CG 4.29Å; Y1219-L1223 WeakPolarHBondContact O-CG 3.36Å; Y1219-L1223 PolarHBondContact O-N 3.05Å; I1220-L1223 HydrophobicContact CD1-CD1 4.4Å; I1220-L1223 PolarHBondContact O-N 3.03Å; L1223-T1226 WeakPolarHBondContact CA-OG1 3.36Å; L1223-T1226 PolarHBondContact O-N 3.1Å; L1223-T1226 PolarHBondContact O-OG1 3.32Å; L1223-T1226 VanDerWaalsContact O-OG1 3.12Å; L1223-T1227 WeakPolarHBondContact O-CB 3.24Å; L1223-T1227 PolarHBondContact O-N 3.07Å; L1223-T1227 PolarHBondContact O-OG1 3.14Å |
| 1224 | I | 90.8 | Very high | 87 | Confident | 3.4 Ų | 3.4 | 34.7 Ų | 34.7 | 2% | 0.017 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -63.9 | -48.8 | 177.3 | -73.7 | 171.6 | 0 | 0 | 0 | 110.8 | L1042 L1064 L1087 I1220 T1221 Q1222 T1226 T1227 L1228 F1244 | L1042-I1224 HydrophobicContact CD1-CG1 3.74Å; L1042-I1224 HydrophobicContact CD2-CG1 4.04Å; L1064-I1224 HydrophobicContact CB-CD1 4.44Å; L1064-I1224 HydrophobicContact CD1-CD1 4.1Å; L1064-I1224 HydrophobicContact CD1-CG1 4.29Å; L1087-I1224 HydrophobicContact CD1-CD1 4.42Å; I1220-I1224 HydrophobicContact CG2-CD1 3.85Å; I1220-I1224 HydrophobicContact CG2-CG1 4.44Å; I1220-I1224 WeakPolarHBondContact O-CB 3.47Å; I1220-I1224 WeakPolarHBondContact O-CG1 3.38Å; I1220-I1224 PolarHBondContact O-N 3.15Å; T1221-I1224 PolarHBondContact O-N 3.18Å; Q1222-I1224 VanDerWaalsContact C-N 3.32Å; Q1222-I1224 PolarHBondContact O-N 2.98Å; I1224-T1226 VanDerWaalsContact C-N 3.27Å; I1224-T1226 PolarHBondContact O-N 3.15Å; I1224-T1227 PolarHBondContact O-N 3.14Å; I1224-L1228 HydrophobicContact CG2-CD1 3.93Å; I1224-L1228 HydrophobicContact CG2-CG 4.26Å; I1224-L1228 WeakPolarHBondContact O-CA 3.08Å; I1224-L1228 VanDerWaalsContact O-CB 3.26Å; I1224-L1228 WeakPolarHBondContact O-CB 3.42Å; I1224-L1228 PolarHBondContact O-N 3.04Å; I1224-F1244 HydrophobicContact CD1-CD2 3.41Å; I1224-F1244 VanDerWaalsContact CD1-CD2 3.44Å; I1224-F1244 HydrophobicContact CD1-CE2 3.36Å; I1224-F1244 VanDerWaalsContact CD1-CE2 3.5Å; I1224-F1244 HydrophobicContact CD1-CG 4.11Å; I1224-F1244 HydrophobicContact CD1-CZ 4.03Å; I1224-F1244 HydrophobicContact CG2-CB 4.14Å; I1224-F1244 HydrophobicContact CG2-CD1 3.94Å; I1224-F1244 HydrophobicContact CG2-CD2 4.24Å; I1224-F1244 HydrophobicContact CG2-CE1 4.41Å; I1224-F1244 HydrophobicContact CG2-CG 3.83Å |
| 1225 | Q | 87.9 | Confident | 88.5 | Confident | 105.2 Ų | 105.2 | 33 Ų | 33 | 49% | 0.492 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -63.2 | -30.6 | 179.2 | -72.9 | 176.4 | -37.1 | 0 | 0 | 113.6 | T1221 Q1222 | T1221-Q1225 WeakPolarHBondContact O-CB 3.28Å; T1221-Q1225 WeakPolarHBondContact O-CG 3.37Å; T1221-Q1225 PolarHBondContact O-N 3.23Å; Q1222-Q1225 PolarHBondContact O-N 3.26Å |
| 1226 | T | 86.4 | Confident | 89.3 | Confident | 103.6 Ų | 103.6 | 30.9 Ų | 30.9 | 64% | 0.636 | 16% | 0.16 | S | C | * | . | H | α-helix | trans | -88.4 | -24.5 | 179.8 | 51.2 | 0 | 0 | 0 | 0 | 113.6 | Q1222 L1223 I1224 | Q1222-T1226 HydrophobicContact CG-CG2 4.41Å; Q1222-T1226 WeakPolarHBondContact O-CB 3.24Å; Q1222-T1226 VanDerWaalsContact O-CG2 3.3Å; Q1222-T1226 WeakPolarHBondContact O-CG2 3.42Å; Q1222-T1226 PolarHBondContact O-N 3.13Å; Q1222-T1226 PolarHBondContact O-OG1 3.26Å; L1223-T1226 WeakPolarHBondContact CA-OG1 3.36Å; L1223-T1226 PolarHBondContact O-N 3.1Å; L1223-T1226 PolarHBondContact O-OG1 3.32Å; L1223-T1226 VanDerWaalsContact O-OG1 3.12Å; I1224-T1226 VanDerWaalsContact C-N 3.27Å; I1224-T1226 PolarHBondContact O-N 3.15Å |
| 1227 | T | 88.4 | Confident | 89.9 | Confident | 31.6 Ų | 31.6 | 33.4 Ų | 33.4 | 19% | 0.194 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -98.7 | -37.6 | -176.7 | -50.3 | 0 | 0 | 0 | 0 | 112.5 | L1042 L1043 L1223 I1224 H1229 | L1042-T1227 HydrophobicContact CB-CG2 4.4Å; L1042-T1227 HydrophobicContact CD1-CG2 4.34Å; L1043-T1227 HydrophobicContact CD1-CG2 4.41Å; L1043-T1227 HydrophobicContact CD2-CG2 4.02Å; L1043-T1227 HydrophobicContact CG-CG2 4.01Å; L1223-T1227 WeakPolarHBondContact O-CB 3.24Å; L1223-T1227 PolarHBondContact O-N 3.07Å; L1223-T1227 PolarHBondContact O-OG1 3.14Å; I1224-T1227 PolarHBondContact O-N 3.14Å; T1227-H1229 PolarHBondContact O-N 3.26Å; T1227-H1229 VanDerWaalsContact O-N 3.13Å |
| 1228 | L | 92 | Very high | 90.4 | Very high | 9.4 Ų | 9.4 | 37 Ų | 37 | 5% | 0.049 | 18% | 0.18 | C | C | . | . | trans | -94.5 | 91.6 | -174 | -53.2 | -166.7 | 0 | 0 | 0 | 111.2 | L1042 I1046 L1064 I1224 L1232 L1242 W1253 | L1042-L1228 HydrophobicContact CB-CD2 4.23Å; L1042-L1228 HydrophobicContact CD1-CD2 4.46Å; L1042-L1228 HydrophobicContact CD1-CG 4.45Å; I1046-L1228 HydrophobicContact CD1-CD1 4.32Å; I1046-L1228 HydrophobicContact CD1-CD2 3.51Å; I1046-L1228 VanDerWaalsContact CD1-CD2 3.41Å; L1064-L1228 HydrophobicContact CD1-CD1 3.84Å; I1224-L1228 HydrophobicContact CG2-CD1 3.93Å; I1224-L1228 HydrophobicContact CG2-CG 4.26Å; I1224-L1228 WeakPolarHBondContact O-CA 3.08Å; I1224-L1228 VanDerWaalsContact O-CB 3.26Å; I1224-L1228 WeakPolarHBondContact O-CB 3.42Å; I1224-L1228 PolarHBondContact O-N 3.04Å; L1228-L1232 VanDerWaalsContact CA-CD1 3.49Å; L1228-L1232 HydrophobicContact CB-CD1 3.97Å; L1228-L1232 HydrophobicContact CD2-CD1 3.53Å; L1228-L1232 HydrophobicContact CD2-CD2 3.7Å; L1228-L1232 HydrophobicContact CG-CD1 4.33Å; L1228-L1242 HydrophobicContact CD1-CD1 4.49Å; L1228-W1253 HydrophobicContact CB-CH2 3.75Å; L1228-W1253 HydrophobicContact CB-CZ2 4.42Å; L1228-W1253 HydrophobicContact CB-CZ3 4.09Å; L1228-W1253 HydrophobicContact CD1-CH2 4.43Å; L1228-W1253 HydrophobicContact CD1-CZ3 4.04Å; L1228-W1253 VanDerWaalsContact O-CH2 3.28Å; L1228-W1253 WeakPolarHBondContact O-CH2 3.43Å; L1228-W1253 VanDerWaalsContact O-CZ2 3.23Å; L1228-W1253 WeakPolarHBondContact O-CZ2 3.41Å | ||
| 1229 | H | 90.7 | Very high | 90.9 | Very high | 105.2 Ų | 105.2 | 33.3 Ų | 33.3 | 49% | 0.487 | 16% | 0.16 | S | C | . | . | trans | -97.6 | 148 | 173.9 | -156.7 | -94.6 | 0 | 0 | 0 | 110.8 | T1227 S1231 L1232 | T1227-H1229 PolarHBondContact O-N 3.26Å; T1227-H1229 VanDerWaalsContact O-N 3.13Å; H1229-S1231 WeakPolarHBondContact ND1-CB 3.37Å; H1229-S1231 PolarHBondContact ND1-N 2.93Å; H1229-S1231 PolarHBondContact ND1-OG 2.84Å; H1229-S1231 PolarHBondContact O-N 2.97Å; H1229-S1231 VanDerWaalsContact O-N 3.09Å; H1229-L1232 WeakPolarHBondContact O-CB 3.36Å; H1229-L1232 VanDerWaalsContact O-CG 3.31Å; H1229-L1232 WeakPolarHBondContact O-CG 3.15Å; H1229-L1232 PolarHBondContact O-N 2.99Å | ||
| 1230 | P | 93.2 | Very high | 91.5 | Very high | 6.6 Ų | 6.6 | 34.8 Ų | 34.8 | 4% | 0.043 | 17% | 0.169 | C | C | . | . | G | 310 helix | trans | -52.2 | -31.5 | 178.5 | -31.3 | 37.5 | 0 | 0 | 0 | 115 | L1232 M1233 V1255 V1284 E1286 W1303 | P1230-L1232 PolarHBondContact O-N 2.93Å; P1230-L1232 VanDerWaalsContact O-N 3.15Å; P1230-M1233 WeakPolarHBondContact O-CB 3.44Å; P1230-M1233 PolarHBondContact O-N 3.2Å; P1230-M1233 VanDerWaalsContact O-N 3.14Å; P1230-V1255 HydrophobicContact CB-CG1 4.34Å; P1230-V1255 HydrophobicContact CG-CG1 4.25Å; P1230-V1284 HydrophobicContact CB-CG1 4.11Å; P1230-E1286 HydrophobicContact CG-CB 4.43Å; P1230-E1286 HydrophobicContact CG-CG 4.47Å; P1230-E1286 WeakPolarHBondContact CG-OE1 3.39Å; P1230-W1303 HydrophobicContact CB-CH2 4.37Å |
| 1231 | S | 93.8 | Very high | 91.9 | Very high | 17.2 Ų | 17.2 | 34.8 Ų | 34.8 | 12% | 0.12 | 17% | 0.169 | C | C | . | . | G | 310 helix | trans | -63.4 | -17.1 | 175.6 | 64 | 0 | 0 | 0 | 0 | 114.2 | H1229 M1233 L1234 | H1229-S1231 WeakPolarHBondContact ND1-CB 3.37Å; H1229-S1231 PolarHBondContact ND1-N 2.93Å; H1229-S1231 PolarHBondContact ND1-OG 2.84Å; H1229-S1231 PolarHBondContact O-N 2.97Å; H1229-S1231 VanDerWaalsContact O-N 3.09Å; S1231-M1233 PolarHBondContact O-N 3.13Å; S1231-M1233 VanDerWaalsContact O-N 3.14Å; S1231-L1234 VanDerWaalsContact O-CB 3.3Å; S1231-L1234 WeakPolarHBondContact O-CB 3.4Å; S1231-L1234 VanDerWaalsContact O-CG 3.3Å; S1231-L1234 WeakPolarHBondContact O-CG 3.33Å; S1231-L1234 PolarHBondContact O-N 3.07Å; S1231-L1234 VanDerWaalsContact O-N 3.09Å |
| 1232 | L | 94.1 | Very high | 92.3 | Very high | 2.8 Ų | 2.8 | 34.8 Ų | 34.8 | 2% | 0.015 | 17% | 0.168 | C | C | . | . | G | 310 helix | trans | -54.7 | -30.9 | 171.9 | -164.5 | 76.6 | 0 | 0 | 0 | 111.9 | L1043 I1046 L1228 H1229 P1230 L1234 L1236 L1242 L1348 P1349 | L1043-L1232 HydrophobicContact CD2-CD1 3.91Å; L1043-L1232 HydrophobicContact CD2-CD2 4.32Å; I1046-L1232 HydrophobicContact CD1-CD2 3.69Å; L1228-L1232 VanDerWaalsContact CA-CD1 3.49Å; L1228-L1232 HydrophobicContact CB-CD1 3.97Å; L1228-L1232 HydrophobicContact CD2-CD1 3.53Å; L1228-L1232 HydrophobicContact CD2-CD2 3.7Å; L1228-L1232 HydrophobicContact CG-CD1 4.33Å; H1229-L1232 WeakPolarHBondContact O-CB 3.36Å; H1229-L1232 VanDerWaalsContact O-CG 3.31Å; H1229-L1232 WeakPolarHBondContact O-CG 3.15Å; H1229-L1232 PolarHBondContact O-N 2.99Å; P1230-L1232 PolarHBondContact O-N 2.93Å; P1230-L1232 VanDerWaalsContact O-N 3.15Å; L1232-L1234 VanDerWaalsContact C-N 3.29Å; L1232-L1234 PolarHBondContact O-N 3.15Å; L1232-L1236 WeakPolarHBondContact O-CG 3.41Å; L1232-L1242 HydrophobicContact CD2-CD1 3.8Å; L1232-L1242 VanDerWaalsContact CD2-CD1 3.49Å; L1232-L1242 HydrophobicContact CG-CD1 4.41Å; L1232-L1348 HydrophobicContact CD1-CD2 3.54Å; L1232-L1348 VanDerWaalsContact CD1-CD2 3.48Å; L1232-L1348 HydrophobicContact CD2-CD2 4.18Å; L1232-L1348 HydrophobicContact CG-CD2 4.45Å; L1232-P1349 HydrophobicContact CD1-CG 3.83Å; L1232-P1349 HydrophobicContact CD2-CG 3.39Å; L1232-P1349 HydrophobicContact CG-CG 4.48Å |
| 1233 | M | 95.1 | Very high | 92.8 | Very high | 0.4 Ų | 0.4 | 34.8 Ų | 34.8 | 0% | 0.002 | 17% | 0.166 | C | C | . | . | G | 310 helix | trans | -72.2 | -15.5 | -179.4 | -63 | -62.8 | 84.4 | 0 | 0 | 113.7 | P1230 S1231 F1235 L1236 Q1240 L1242 V1255 R1257 V1284 | P1230-M1233 WeakPolarHBondContact O-CB 3.44Å; P1230-M1233 PolarHBondContact O-N 3.2Å; P1230-M1233 VanDerWaalsContact O-N 3.14Å; S1231-M1233 PolarHBondContact O-N 3.13Å; S1231-M1233 VanDerWaalsContact O-N 3.14Å; M1233-F1235 PolarHBondContact O-N 3.17Å; M1233-L1236 HydrophobicContact CE-CD1 3.44Å; M1233-L1236 HydrophobicContact CE-CG 4.38Å; M1233-L1236 HydrophobicContact SD-CD1 4.01Å; M1233-Q1240 VanDerWaalsContact CE-C 3.44Å; M1233-Q1240 WeakPolarHBondContact CE-O 3.24Å; M1233-L1242 HydrophobicContact CE-CB 4.42Å; M1233-L1242 HydrophobicContact CE-CD1 3.19Å; M1233-L1242 HydrophobicContact CE-CD2 4.32Å; M1233-L1242 HydrophobicContact CE-CG 3.4Å; M1233-L1242 VanDerWaalsContact CE-CG 3.41Å; M1233-L1242 HydrophobicContact SD-CB 4.44Å; M1233-L1242 HydrophobicContact SD-CD1 4.19Å; M1233-L1242 HydrophobicContact SD-CG 3.9Å; M1233-V1255 HydrophobicContact CE-CG2 4.46Å; M1233-V1255 HydrophobicContact CG-CB 4.44Å; M1233-V1255 HydrophobicContact CG-CG1 3.73Å; M1233-V1255 HydrophobicContact CG-CG2 4.03Å; M1233-V1255 HydrophobicContact SD-CG2 4.15Å; M1233-R1257 HydrophobicContact CB-CB 4.18Å; M1233-R1257 HydrophobicContact CE-CB 3.75Å; M1233-R1257 WeakPolarHBondContact O-CD 3.41Å; M1233-R1257 VanDerWaalsContact O-CZ 3.32Å; M1233-R1257 PolarHBondContact O-NE 3.04Å; M1233-R1257 PolarHBondContact O-NH1 3.1Å; M1233-V1284 HydrophobicContact CB-CG2 3.83Å; M1233-V1284 HydrophobicContact CG-CG1 4.37Å; M1233-V1284 HydrophobicContact CG-CG2 4.29Å |
| 1234 | L | 94.3 | Very high | 93.1 | Very high | 2 Ų | 2 | 34.3 Ų | 34.3 | 1% | 0.01 | 16% | 0.163 | C | C | . | . | S | Bend | trans | -54.8 | -51.2 | -169.8 | -79.2 | 171.3 | 0 | 0 | 0 | 113.3 | S1231 L1232 R1257 I1282 W1303 A1330 F1358 | S1231-L1234 VanDerWaalsContact O-CB 3.3Å; S1231-L1234 WeakPolarHBondContact O-CB 3.4Å; S1231-L1234 VanDerWaalsContact O-CG 3.3Å; S1231-L1234 WeakPolarHBondContact O-CG 3.33Å; S1231-L1234 PolarHBondContact O-N 3.07Å; S1231-L1234 VanDerWaalsContact O-N 3.09Å; L1232-L1234 VanDerWaalsContact C-N 3.29Å; L1232-L1234 PolarHBondContact O-N 3.15Å; L1234-R1257 PolarHBondContact O-NH1 3.01Å; L1234-R1257 PolarHBondContact O-NH2 3.14Å; L1234-I1282 HydrophobicContact CD2-CB 4.32Å; L1234-I1282 HydrophobicContact CD2-CD1 4.09Å; L1234-I1282 HydrophobicContact CD2-CG2 4.21Å; L1234-I1282 WeakPolarHBondContact O-CD1 3.41Å; L1234-W1303 HydrophobicContact CD1-CD2 4.46Å; L1234-W1303 HydrophobicContact CD1-CG 4.49Å; L1234-W1303 HydrophobicContact CD2-CB 3.87Å; L1234-W1303 HydrophobicContact CD2-CD2 3.59Å; L1234-W1303 HydrophobicContact CD2-CE3 3.71Å; L1234-W1303 HydrophobicContact CD2-CG 3.66Å; L1234-W1303 HydrophobicContact CD2-CZ3 4.39Å; L1234-W1303 HydrophobicContact CG-CD2 4.35Å; L1234-W1303 HydrophobicContact CG-CE3 4.41Å; L1234-A1330 HydrophobicContact CD2-CB 4.44Å; L1234-F1358 HydrophobicContact CD1-CB 4.41Å; L1234-F1358 HydrophobicContact CD1-CD1 3.79Å; L1234-F1358 HydrophobicContact CD1-CD2 3.82Å; L1234-F1358 HydrophobicContact CD1-CE1 3.93Å; L1234-F1358 HydrophobicContact CD1-CE2 3.99Å; L1234-F1358 HydrophobicContact CD1-CG 3.73Å; L1234-F1358 HydrophobicContact CD1-CZ 4.03Å |
| 1235 | F | 95.1 | Very high | 93.2 | Very high | 11 Ų | 11 | 34.8 Ų | 34.8 | 5% | 0.048 | 17% | 0.167 | C | C | . | . | S | Bend | trans | -115.9 | 10 | -168.2 | -51.3 | -69.7 | 0 | 0 | 0 | 114.1 | M1233 A1330 F1345 Y1347 F1358 N1360 | M1233-F1235 PolarHBondContact O-N 3.17Å; F1235-A1330 HydrophobicContact CE1-CB 4.35Å; F1235-A1330 HydrophobicContact CZ-CB 3.91Å; F1235-F1345 HydrophobicContact CB-CD1 4.36Å; F1235-F1345 HydrophobicContact CD2-CB 3.72Å; F1235-F1345 AromaticContact CD2-CD1 3.49Å; F1235-F1345 HydrophobicContact CD2-CD1 3.49Å; F1235-F1345 VanDerWaalsContact CD2-CD1 3.48Å; F1235-F1345 AromaticContact CD2-CD2 4Å; F1235-F1345 HydrophobicContact CD2-CD2 4.06Å; F1235-F1345 AromaticContact CD2-CE1 3.96Å; F1235-F1345 HydrophobicContact CD2-CE1 4.02Å; F1235-F1345 HydrophobicContact CD2-CE2 4.46Å; F1235-F1345 AromaticContact CD2-CG 3.49Å; F1235-F1345 HydrophobicContact CD2-CG 3.49Å; F1235-F1345 VanDerWaalsContact CD2-CG 3.47Å; F1235-F1345 HydrophobicContact CD2-CZ 4.42Å; F1235-F1345 HydrophobicContact CE2-CB 4.13Å; F1235-F1345 HydrophobicContact CE2-CD1 4.19Å; F1235-F1345 AromaticContact CE2-CD2 3.91Å; F1235-F1345 HydrophobicContact CE2-CD2 3.93Å; F1235-F1345 HydrophobicContact CE2-CE2 4.4Å; F1235-F1345 AromaticContact CE2-CG 3.83Å; F1235-F1345 HydrophobicContact CE2-CG 3.83Å; F1235-F1345 HydrophobicContact CG-CD1 4.45Å; F1235-Y1347 CarbonylContact C-O 3.56Å; F1235-Y1347 WeakPolarHBondContact O-CD1 3.4Å; F1235-F1358 HydrophobicContact CE2-CB 3.86Å; F1235-F1358 HydrophobicContact CE2-CG 4.45Å; F1235-F1358 HydrophobicContact CZ-CB 3.81Å; F1235-N1360 HydrophobicContact CB-CB 4.23Å; F1235-N1360 HydrophobicContact CD1-CB 3.51Å; F1235-N1360 VanDerWaalsContact CD1-CB 3.48Å; F1235-N1360 HydrophobicContact CD2-CB 3.76Å; F1235-N1360 HydrophobicContact CE1-CB 3.68Å; F1235-N1360 HydrophobicContact CE2-CB 3.9Å; F1235-N1360 HydrophobicContact CG-CB 3.54Å; F1235-N1360 HydrophobicContact CZ-CB 3.86Å |
| 1236 | L | 94.1 | Very high | 93.2 | Very high | 4.8 Ų | 4.8 | 29.8 Ų | 29.8 | 3% | 0.025 | 14% | 0.143 | C | C | . | . | trans | -60.6 | 140.1 | 168.1 | -66 | -177.5 | 0 | 0 | 0 | 110.1 | I1046 D1050 L1232 M1233 L1239 R1257 L1348 | I1046-L1236 HydrophobicContact CG2-CD1 4.15Å; I1046-L1236 HydrophobicContact CG2-CD2 4.12Å; D1050-L1236 HydrophobicContact CB-CD2 4.29Å; L1232-L1236 WeakPolarHBondContact O-CG 3.41Å; M1233-L1236 HydrophobicContact CE-CD1 3.44Å; M1233-L1236 HydrophobicContact CE-CG 4.38Å; M1233-L1236 HydrophobicContact SD-CD1 4.01Å; L1236-L1239 HydrophobicContact CB-CB 4.48Å; L1236-L1239 HydrophobicContact CD1-CB 3.89Å; L1236-L1239 HydrophobicContact CD1-CD1 4.37Å; L1236-R1257 VanDerWaalsContact O-CZ 3.24Å; L1236-R1257 PolarHBondContact O-NH1 3.14Å; L1236-R1257 PolarHBondContact O-NH2 3.16Å; L1236-L1348 HydrophobicContact CD2-CD2 3.68Å; L1236-L1348 HydrophobicContact CD2-CG 4.38Å | ||
| 1237 | R | 90.4 | Very high | 92.9 | Very high | 75.8 Ų | 75.8 | 30.6 Ų | 30.6 | 29% | 0.286 | 14% | 0.141 | S | C | . | . | S | Bend | trans | -86 | -30.8 | -172.7 | -66.2 | 179 | -172.4 | -171.3 | 2.3 | 112.5 | D1050 D1051 D1118 A1119 K1120 I1121 Y1347 | D1050-R1237 VanDerWaalsContact CG-N 3.31Å; D1050-R1237 PolarHBondContact OD1-N 3.08Å; D1050-R1237 WeakPolarHBondContact OD2-CB 3.4Å; D1050-R1237 PolarHBondContact OD2-N 3.1Å; D1050-R1237 IonicContact OD2-NE 3.89Å; D1051-R1237 IonicContact OD1-NH2 2.7Å; D1051-R1237 PolarHBondContact OD1-NH2 3.43Å; D1118-R1237 PolarHBondContact O-NH1 3.15Å; D1118-R1237 PolarHBondContact O-NH2 2.9Å; A1119-R1237 VanDerWaalsContact C-NH1 3.29Å; A1119-R1237 PolarHBondContact O-NH1 3.08Å; A1119-R1237 VanDerWaalsContact O-NH1 3.12Å; A1119-R1237 PolarHBondContact O-NH2 3.48Å; K1120-R1237 VanDerWaalsContact N-NH1 3.16Å; I1121-R1237 HydrophobicContact CD1-CG 4.43Å; R1237-Y1347 HydrophobicContact CG-CD1 4.02Å; R1237-Y1347 HydrophobicContact CG-CE1 4.31Å; R1237-Y1347 VanDerWaalsContact NE-CE1 3.28Å; R1237-Y1347 PolarHBondContact NH2-OH 3.12Å; R1237-Y1347 VanDerWaalsContact NH2-OH 3.09Å |
| 1238 | R | 92 | Very high | 92.3 | Very high | 78.2 Ų | 78.2 | 33.9 Ų | 33.9 | 30% | 0.295 | 15% | 0.154 | S | C | . | . | S | Bend | trans | -131.4 | -45.8 | -171 | -59.9 | -173.4 | -161.8 | -152.4 | -6.2 | 113 | D1050 D1051 N1052 T1053 Y1054 P1060 Q1240 | D1050-R1238 WeakPolarHBondContact O-CB 3.29Å; D1050-R1238 VanDerWaalsContact O-CD 3.25Å; D1050-R1238 WeakPolarHBondContact O-CD 3.41Å; D1050-R1238 VanDerWaalsContact O-CG 3.31Å; D1050-R1238 WeakPolarHBondContact O-CG 3.31Å; D1050-R1238 WeakPolarHBondContact OD1-CA 3.29Å; D1050-R1238 PolarHBondContact OD1-N 2.85Å; D1051-R1238 PolarHBondContact O-NH1 2.65Å; N1052-R1238 VanDerWaalsContact C-NH1 3.25Å; N1052-R1238 WeakPolarHBondContact O-CD 3.39Å; N1052-R1238 PolarHBondContact O-NE 2.73Å; N1052-R1238 PolarHBondContact O-NH1 2.99Å; T1053-R1238 PolarHBondContact OG1-NH1 3.04Å; Y1054-R1238 HydrophobicContact CD2-CB 4.17Å; Y1054-R1238 HydrophobicContact CE2-CB 4.09Å; P1060-R1238 VanDerWaalsContact CB-O 3.26Å; P1060-R1238 WeakPolarHBondContact CB-O 3.23Å; P1060-R1238 VanDerWaalsContact CG-O 3.3Å; P1060-R1238 WeakPolarHBondContact CG-O 3.3Å; R1238-Q1240 PolarHBondContact O-N 3.1Å |
| 1239 | L | 95.3 | Very high | 91.6 | Very high | 0.2 Ų | 0.2 | 35.2 Ų | 35.2 | 0% | 0.001 | 16% | 0.164 | C | C | . | . | trans | -57.7 | 131.8 | 179 | -78.8 | 177.6 | 0 | 0 | 0 | 110.9 | I1046 A1049 D1050 Y1054 P1060 L1062 L1236 L1242 R1257 | I1046-L1239 HydrophobicContact CG2-CD1 3.99Å; A1049-L1239 HydrophobicContact CB-CD1 3.89Å; A1049-L1239 HydrophobicContact CB-CD2 4.38Å; A1049-L1239 HydrophobicContact CB-CG 4.47Å; D1050-L1239 HydrophobicContact CB-CD1 4.07Å; D1050-L1239 HydrophobicContact CB-CG 4.18Å; D1050-L1239 PolarHBondContact OD1-N 3.16Å; Y1054-L1239 WeakPolarHBondContact OH-CD2 3.47Å; P1060-L1239 HydrophobicContact CB-CD2 4.4Å; L1062-L1239 HydrophobicContact CB-CD1 4.38Å; L1062-L1239 HydrophobicContact CB-CD2 4.24Å; L1236-L1239 HydrophobicContact CB-CB 4.48Å; L1236-L1239 HydrophobicContact CD1-CB 3.89Å; L1236-L1239 HydrophobicContact CD1-CD1 4.37Å; L1239-L1242 HydrophobicContact CD1-CD2 4.13Å; L1239-R1257 PolarHBondContact O-NH2 3.05Å | ||
| 1240 | Q | 96.2 | Very high | 91.3 | Very high | 79.4 Ų | 79.4 | 32.9 Ų | 32.9 | 37% | 0.371 | 16% | 0.156 | S | C | . | . | trans | -118.9 | -15.7 | 178.4 | -67.8 | 176.1 | 3.7 | 0 | 0 | 111.9 | T1059 P1060 M1233 R1238 K1256 R1257 | T1059-Q1240 HydrophobicContact CG2-CB 4Å; P1060-Q1240 HydrophobicContact CG-CG 4.48Å; P1060-Q1240 PolarHBondContact O-N 3.11Å; M1233-Q1240 VanDerWaalsContact CE-C 3.44Å; M1233-Q1240 WeakPolarHBondContact CE-O 3.24Å; R1238-Q1240 PolarHBondContact O-N 3.1Å; Q1240-K1256 CarbonylContact O-C 3.53Å; Q1240-K1256 WeakPolarHBondContact O-CA 3.39Å; Q1240-R1257 PolarHBondContact O-N 3.07Å | ||
| 1241 | C | 97.2 | Very high | 90.9 | Very high | 0.8 Ų | 0.8 | 33.6 Ų | 33.6 | 1% | 0.005 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 131.7 | -178.7 | -174.7 | 0 | 0 | 0 | 0 | 111.7 | T1059 P1060 T1061 L1062 R1243 N1254 V1255 | T1059-C1241 HydrophobicContact CG2-CB 4.12Å; P1060-C1241 PolarHBondContact O-N 3.22Å; T1061-C1241 VanDerWaalsContact CA-O 3.31Å; T1061-C1241 WeakPolarHBondContact CA-O 3.4Å; T1061-C1241 HydrophobicContact CG2-CB 4.06Å; T1061-C1241 WeakPolarHBondContact OG1-CB 3.37Å; L1062-C1241 PolarHBondContact N-O 3.12Å; L1062-C1241 VanDerWaalsContact N-O 3.11Å; C1241-R1243 PolarHBondContact SG-NE 3.27Å; C1241-N1254 PolarHBondContact SG-OD1 3.03Å; C1241-N1254 VanDerWaalsContact SG-OD1 3.37Å; C1241-V1255 CarbonylContact C-O 3.57Å; C1241-V1255 VanDerWaalsContact CA-O 3.26Å; C1241-V1255 WeakPolarHBondContact CA-O 3.39Å; C1241-V1255 PolarHBondContact SG-O 3.43Å |
| 1242 | L | 97.1 | Very high | 90.8 | Very high | 4.6 Ų | 4.6 | 36.1 Ų | 36.1 | 2% | 0.024 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 139 | 165.5 | -62 | -177.1 | 0 | 0 | 0 | 109.4 | I1046 L1062 L1228 L1232 M1233 L1239 W1253 N1254 V1255 | I1046-L1242 HydrophobicContact CD1-CD1 3.9Å; I1046-L1242 HydrophobicContact CD1-CD2 4.41Å; I1046-L1242 HydrophobicContact CG1-CD1 4.4Å; I1046-L1242 HydrophobicContact CG1-CD2 4.27Å; L1062-L1242 HydrophobicContact CB-CD2 3.74Å; L1062-L1242 HydrophobicContact CD2-CD2 4.18Å; L1062-L1242 HydrophobicContact CG-CD2 4.45Å; L1062-L1242 CarbonylContact O-C 3.57Å; L1062-L1242 WeakPolarHBondContact O-CA 3.36Å; L1228-L1242 HydrophobicContact CD1-CD1 4.49Å; L1232-L1242 HydrophobicContact CD2-CD1 3.8Å; L1232-L1242 VanDerWaalsContact CD2-CD1 3.49Å; L1232-L1242 HydrophobicContact CG-CD1 4.41Å; M1233-L1242 HydrophobicContact CE-CB 4.42Å; M1233-L1242 HydrophobicContact CE-CD1 3.19Å; M1233-L1242 HydrophobicContact CE-CD2 4.32Å; M1233-L1242 HydrophobicContact CE-CG 3.4Å; M1233-L1242 VanDerWaalsContact CE-CG 3.41Å; M1233-L1242 HydrophobicContact SD-CB 4.44Å; M1233-L1242 HydrophobicContact SD-CD1 4.19Å; M1233-L1242 HydrophobicContact SD-CG 3.9Å; L1239-L1242 HydrophobicContact CD1-CD2 4.13Å; L1242-W1253 HydrophobicContact CB-CH2 4.47Å; L1242-W1253 HydrophobicContact CB-CZ3 4.17Å; L1242-N1254 WeakPolarHBondContact O-CA 3.47Å; L1242-V1255 HydrophobicContact CB-CG2 3.72Å; L1242-V1255 HydrophobicContact CD1-CG2 4.44Å; L1242-V1255 HydrophobicContact CG-CG2 4.38Å; L1242-V1255 PolarHBondContact N-O 2.93Å; L1242-V1255 PolarHBondContact O-N 3.19Å |
| 1243 | R | 95.9 | Very high | 90.8 | Very high | 76.4 Ų | 76.4 | 37 Ų | 37 | 29% | 0.288 | 17% | 0.169 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 141.7 | 177.4 | -66.4 | 179.2 | -177.1 | 163.6 | 2.5 | 110.7 | T1061 L1062 Q1063 L1064 C1241 W1253 N1254 | T1061-R1243 HydrophobicContact CG2-CG 4.46Å; L1062-R1243 PolarHBondContact O-N 3.14Å; Q1063-R1243 CarbonylContact C-O 3.5Å; Q1063-R1243 WeakPolarHBondContact CA-O 3.37Å; Q1063-R1243 HydrophobicContact CB-CB 4.08Å; Q1063-R1243 HydrophobicContact CG-CB 3.89Å; L1064-R1243 PolarHBondContact N-O 3.14Å; C1241-R1243 PolarHBondContact SG-NE 3.27Å; R1243-W1253 CarbonylContact C-O 3.47Å; R1243-W1253 WeakPolarHBondContact CA-O 3.4Å; R1243-N1254 HydrophobicContact CG-CB 4.16Å; R1243-N1254 VanDerWaalsContact CG-OD1 3.27Å; R1243-N1254 WeakPolarHBondContact CG-OD1 3.39Å; R1243-N1254 PolarHBondContact NE-OD1 3.11Å |
| 1244 | F | 95.1 | Very high | 90.8 | Very high | 2 Ų | 2 | 38 Ų | 38 | 1% | 0.009 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 132.9 | 167 | 171.8 | -115.8 | 0 | 0 | 0 | 109.7 | L1064 L1066 T1221 I1224 I1251 Y1252 W1253 | L1064-F1244 HydrophobicContact CB-CD2 4.06Å; L1064-F1244 CarbonylContact O-C 3.45Å; L1064-F1244 VanDerWaalsContact O-CA 3.26Å; L1064-F1244 WeakPolarHBondContact O-CA 3.32Å; L1064-F1244 WeakPolarHBondContact O-CD2 3.27Å; L1066-F1244 HydrophobicContact CB-CE2 4.42Å; T1221-F1244 HydrophobicContact CG2-CE1 4.18Å; T1221-F1244 HydrophobicContact CG2-CZ 4.36Å; I1224-F1244 HydrophobicContact CD1-CD2 3.41Å; I1224-F1244 VanDerWaalsContact CD1-CD2 3.44Å; I1224-F1244 HydrophobicContact CD1-CE2 3.36Å; I1224-F1244 VanDerWaalsContact CD1-CE2 3.5Å; I1224-F1244 HydrophobicContact CD1-CG 4.11Å; I1224-F1244 HydrophobicContact CD1-CZ 4.03Å; I1224-F1244 HydrophobicContact CG2-CB 4.14Å; I1224-F1244 HydrophobicContact CG2-CD1 3.94Å; I1224-F1244 HydrophobicContact CG2-CD2 4.24Å; I1224-F1244 HydrophobicContact CG2-CE1 4.41Å; I1224-F1244 HydrophobicContact CG2-CG 3.83Å; F1244-I1251 HydrophobicContact CD1-CG2 4.04Å; F1244-I1251 HydrophobicContact CE1-CB 4.33Å; F1244-I1251 HydrophobicContact CE1-CG2 3.96Å; F1244-Y1252 CarbonylContact O-C 3.46Å; F1244-Y1252 WeakPolarHBondContact O-CA 3.33Å; F1244-W1253 HydrophobicContact CB-CB 4.38Å; F1244-W1253 HydrophobicContact CB-CE3 4.06Å; F1244-W1253 HydrophobicContact CD1-CB 4.48Å; F1244-W1253 PolarHBondContact N-O 3.29Å; F1244-W1253 PolarHBondContact O-N 3.03Å |
| 1245 | S | 92.1 | Very high | 90.9 | Very high | 13.8 Ų | 13.8 | 37.9 Ų | 37.9 | 10% | 0.097 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 140.3 | 173.2 | 61.2 | 0 | 0 | 0 | 0 | 111.7 | L1064 Q1065 L1066 I1251 | L1064-S1245 PolarHBondContact O-N 3.05Å; Q1065-S1245 WeakPolarHBondContact CA-O 3.38Å; Q1065-S1245 WeakPolarHBondContact CB-OG 3.22Å; Q1065-S1245 WeakPolarHBondContact CG-OG 3.1Å; L1066-S1245 PolarHBondContact N-O 3.05Å; S1245-I1251 CarbonylContact C-O 3.55Å; S1245-I1251 WeakPolarHBondContact CA-O 3.4Å |
| 1246 | S | 88.8 | Confident | 90.9 | Very high | 1 Ų | 1 | 41.7 Ų | 41.7 | 1% | 0.007 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 118.9 | 175.9 | 171.8 | 0 | 0 | 0 | 0 | 109.5 | L1066 E1248 S1249 N1250 I1251 L1291 | L1066-S1246 WeakPolarHBondContact CD2-OG 3.43Å; S1246-E1248 VanDerWaalsContact C-N 3.32Å; S1246-E1248 PolarHBondContact OG-N 3.49Å; S1246-S1249 WeakPolarHBondContact CB-OG 3.32Å; S1246-S1249 PolarHBondContact OG-N 3.18Å; S1246-S1249 VanDerWaalsContact OG-N 3.12Å; S1246-S1249 PolarHBondContact OG-OG 3.07Å; S1246-N1250 CarbonylContact O-C 3.57Å; S1246-N1250 VanDerWaalsContact O-CA 3.29Å; S1246-N1250 WeakPolarHBondContact O-CA 3.42Å; S1246-N1250 PolarHBondContact O-N 3.36Å; S1246-N1250 VanDerWaalsContact O-N 3.16Å; S1246-I1251 PolarHBondContact N-O 3.06Å; S1246-I1251 PolarHBondContact O-N 3.17Å; S1246-I1251 VanDerWaalsContact O-N 3.09Å; S1246-L1291 WeakPolarHBondContact O-CD1 3.37Å |
| 1247 | M | 79 | Confident | 91 | Very high | 119.4 Ų | 119.4 | 42.2 Ų | 42.2 | 59% | 0.588 | 19% | 0.192 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.6 | -35.6 | 176.1 | -62.1 | -61.3 | 180 | 0 | 0 | 111.2 | S1249 N1250 L1291 | M1247-S1249 VanDerWaalsContact C-N 3.33Å; M1247-S1249 PolarHBondContact O-N 2.97Å; M1247-N1250 PolarHBondContact O-N 2.97Å; M1247-N1250 PolarHBondContact O-OD1 3.22Å; M1247-L1291 HydrophobicContact CE-CD1 4.25Å; M1247-L1291 HydrophobicContact CE-CD2 4.48Å; M1247-L1291 HydrophobicContact SD-CD1 3.97Å; M1247-L1291 HydrophobicContact SD-CD2 4.22Å |
| 1248 | E | 76.2 | Confident | 91.1 | Very high | 100.8 Ų | 100.8 | 41.6 Ų | 41.6 | 47% | 0.471 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | -45 | -179.9 | -163.5 | 81.3 | -172.5 | 0 | 0 | 112.6 | T1068 Q1083 F1085 A1217 S1246 N1250 | T1068-E1248 WeakPolarHBondContact CG2-OE1 3.32Å; Q1083-E1248 PolarHBondContact NE2-OE1 3.18Å; F1085-E1248 HydrophobicContact CE1-CB 4.18Å; F1085-E1248 HydrophobicContact CE1-CG 3.85Å; F1085-E1248 WeakPolarHBondContact CE1-OE2 3.42Å; F1085-E1248 HydrophobicContact CZ-CG 4.03Å; F1085-E1248 WeakPolarHBondContact CZ-OE2 3.44Å; A1217-E1248 HydrophobicContact CB-CB 4.49Å; A1217-E1248 VanDerWaalsContact CB-CD 3.46Å; A1217-E1248 HydrophobicContact CB-CG 4.21Å; A1217-E1248 WeakPolarHBondContact CB-OE2 3.44Å; S1246-E1248 VanDerWaalsContact C-N 3.32Å; S1246-E1248 PolarHBondContact OG-N 3.49Å; E1248-N1250 VanDerWaalsContact C-N 3.3Å; E1248-N1250 PolarHBondContact O-N 2.95Å |
| 1249 | S | 78.1 | Confident | 91.1 | Very high | 36.8 Ų | 36.8 | 41.6 Ų | 41.6 | 26% | 0.257 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.9 | -0.2 | 176.9 | 57.8 | 0 | 0 | 0 | 0 | 113.1 | T1221 S1246 M1247 I1251 | T1221-S1249 PolarHBondContact OG1-OG 3.08Å; S1246-S1249 WeakPolarHBondContact CB-OG 3.32Å; S1246-S1249 PolarHBondContact OG-N 3.18Å; S1246-S1249 VanDerWaalsContact OG-N 3.12Å; S1246-S1249 PolarHBondContact OG-OG 3.07Å; M1247-S1249 VanDerWaalsContact C-N 3.33Å; M1247-S1249 PolarHBondContact O-N 2.97Å; S1249-I1251 VanDerWaalsContact C-N 3.26Å; S1249-I1251 WeakPolarHBondContact O-CG1 3.35Å; S1249-I1251 PolarHBondContact O-N 3.07Å |
| 1250 | N | 83.2 | Confident | 90.9 | Very high | 57 Ų | 57 | 45.1 Ų | 45.1 | 31% | 0.305 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51.8 | 38.7 | -176.5 | -88.3 | -34.2 | 0 | 0 | 0 | 113.2 | S1246 M1247 E1248 N1290 L1291 S1292 | S1246-N1250 CarbonylContact O-C 3.57Å; S1246-N1250 VanDerWaalsContact O-CA 3.29Å; S1246-N1250 WeakPolarHBondContact O-CA 3.42Å; S1246-N1250 PolarHBondContact O-N 3.36Å; S1246-N1250 VanDerWaalsContact O-N 3.16Å; M1247-N1250 PolarHBondContact O-N 2.97Å; M1247-N1250 PolarHBondContact O-OD1 3.22Å; E1248-N1250 VanDerWaalsContact C-N 3.3Å; E1248-N1250 PolarHBondContact O-N 2.95Å; N1250-N1290 WeakPolarHBondContact CB-OD1 3.48Å; N1250-N1290 CarbonylContact O-C 3.49Å; N1250-N1290 VanDerWaalsContact O-CA 3.26Å; N1250-N1290 WeakPolarHBondContact O-CA 3.4Å; N1250-N1290 PolarHBondContact O-OD1 3.13Å; N1250-L1291 HydrophobicContact CB-CB 3.89Å; N1250-L1291 PolarHBondContact ND2-N 3.22Å; N1250-L1291 WeakPolarHBondContact O-CD1 2.92Å; N1250-L1291 PolarHBondContact O-N 3.16Å; N1250-L1291 WeakPolarHBondContact OD1-CA 3.32Å; N1250-L1291 WeakPolarHBondContact OD1-CB 3.33Å; N1250-L1291 PolarHBondContact OD1-N 2.91Å; N1250-S1292 VanDerWaalsContact CG-N 3.35Å; N1250-S1292 VanDerWaalsContact ND2-CB 3.3Å; N1250-S1292 WeakPolarHBondContact ND2-CB 3.48Å; N1250-S1292 PolarHBondContact ND2-N 3.25Å; N1250-S1292 PolarHBondContact ND2-OG 3.04Å; N1250-S1292 VanDerWaalsContact OD1-CB 3.3Å; N1250-S1292 WeakPolarHBondContact OD1-CB 3.21Å; N1250-S1292 PolarHBondContact OD1-N 2.91Å |
| 1251 | I | 86.7 | Confident | 90.6 | Very high | 20.4 Ų | 20.4 | 44.8 Ų | 44.8 | 11% | 0.105 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 131.3 | -178.4 | -68.2 | 165.2 | 0 | 0 | 0 | 109.6 | T1221 F1244 S1245 S1246 S1249 W1253 | T1221-I1251 HydrophobicContact CG2-CD1 3.59Å; F1244-I1251 HydrophobicContact CD1-CG2 4.04Å; F1244-I1251 HydrophobicContact CE1-CB 4.33Å; F1244-I1251 HydrophobicContact CE1-CG2 3.96Å; S1245-I1251 CarbonylContact C-O 3.55Å; S1245-I1251 WeakPolarHBondContact CA-O 3.4Å; S1246-I1251 PolarHBondContact N-O 3.06Å; S1246-I1251 PolarHBondContact O-N 3.17Å; S1246-I1251 VanDerWaalsContact O-N 3.09Å; S1249-I1251 VanDerWaalsContact C-N 3.26Å; S1249-I1251 WeakPolarHBondContact O-CG1 3.35Å; S1249-I1251 PolarHBondContact O-N 3.07Å; I1251-W1253 HydrophobicContact CG2-CB 4.48Å |
| 1252 | Y | 90.9 | Very high | 90.2 | Very high | 71 Ų | 71 | 46.1 Ų | 46.1 | 28% | 0.278 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 129.7 | 160.5 | 178.6 | -100.7 | 0 | 0 | 0 | 108.8 | F1244 N1254 T1287 Q1288 C1289 | F1244-Y1252 CarbonylContact O-C 3.46Å; F1244-Y1252 WeakPolarHBondContact O-CA 3.33Å; Y1252-N1254 HydrophobicContact CE1-CB 3.72Å; Y1252-T1287 HydrophobicContact CE1-CG2 4.47Å; Y1252-Q1288 CarbonylContact O-C 3.6Å; Y1252-Q1288 WeakPolarHBondContact O-CA 3.31Å; Y1252-C1289 HydrophobicContact CD1-CB 4.46Å; Y1252-C1289 PolarHBondContact N-O 3.06Å; Y1252-C1289 PolarHBondContact O-N 3.19Å |
| 1253 | W | 94 | Very high | 89.6 | Confident | 22 Ų | 22 | 47.2 Ų | 47.2 | 8% | 0.083 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 130.1 | 176.4 | 176.3 | 83 | 0 | 0 | 0 | 109 | L1228 L1242 R1243 F1244 I1251 V1255 E1286 T1287 | L1228-W1253 HydrophobicContact CB-CH2 3.75Å; L1228-W1253 HydrophobicContact CB-CZ2 4.42Å; L1228-W1253 HydrophobicContact CB-CZ3 4.09Å; L1228-W1253 HydrophobicContact CD1-CH2 4.43Å; L1228-W1253 HydrophobicContact CD1-CZ3 4.04Å; L1228-W1253 VanDerWaalsContact O-CH2 3.28Å; L1228-W1253 WeakPolarHBondContact O-CH2 3.43Å; L1228-W1253 VanDerWaalsContact O-CZ2 3.23Å; L1228-W1253 WeakPolarHBondContact O-CZ2 3.41Å; L1242-W1253 HydrophobicContact CB-CH2 4.47Å; L1242-W1253 HydrophobicContact CB-CZ3 4.17Å; R1243-W1253 CarbonylContact C-O 3.47Å; R1243-W1253 WeakPolarHBondContact CA-O 3.4Å; F1244-W1253 HydrophobicContact CB-CB 4.38Å; F1244-W1253 HydrophobicContact CB-CE3 4.06Å; F1244-W1253 HydrophobicContact CD1-CB 4.48Å; F1244-W1253 PolarHBondContact N-O 3.29Å; F1244-W1253 PolarHBondContact O-N 3.03Å; I1251-W1253 HydrophobicContact CG2-CB 4.48Å; W1253-V1255 HydrophobicContact CD2-CG2 4.06Å; W1253-V1255 HydrophobicContact CE3-CG2 4.35Å; W1253-V1255 HydrophobicContact CH2-CB 4.3Å; W1253-V1255 HydrophobicContact CH2-CG1 3.91Å; W1253-V1255 HydrophobicContact CH2-CG2 3.53Å; W1253-V1255 VanDerWaalsContact CH2-CG2 3.45Å; W1253-V1255 HydrophobicContact CZ2-CB 4.24Å; W1253-V1255 HydrophobicContact CZ2-CG1 3.34Å; W1253-V1255 HydrophobicContact CZ2-CG2 3.75Å; W1253-V1255 HydrophobicContact CZ3-CB 4.44Å; W1253-V1255 HydrophobicContact CZ3-CG2 4.04Å; W1253-E1286 PolarHBondContact NE1-OE1 3.1Å; W1253-T1287 CarbonylContact C-O 3.52Å; W1253-T1287 WeakPolarHBondContact CA-O 3.33Å |
| 1254 | N | 94.9 | Very high | 89 | Confident | 19.8 Ų | 19.8 | 47.6 Ų | 47.6 | 11% | 0.106 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 126.2 | -178 | 163.4 | 78.4 | 0 | 0 | 0 | 109.5 | C1241 L1242 R1243 Y1252 E1286 T1287 | C1241-N1254 PolarHBondContact SG-OD1 3.03Å; C1241-N1254 VanDerWaalsContact SG-OD1 3.37Å; L1242-N1254 WeakPolarHBondContact O-CA 3.47Å; R1243-N1254 HydrophobicContact CG-CB 4.16Å; R1243-N1254 VanDerWaalsContact CG-OD1 3.27Å; R1243-N1254 WeakPolarHBondContact CG-OD1 3.39Å; R1243-N1254 PolarHBondContact NE-OD1 3.11Å; Y1252-N1254 HydrophobicContact CE1-CB 3.72Å; N1254-E1286 CarbonylContact O-C 3.48Å; N1254-E1286 WeakPolarHBondContact O-CA 3.37Å; N1254-T1287 WeakPolarHBondContact CB-OG1 3.39Å; N1254-T1287 PolarHBondContact N-O 3.13Å; N1254-T1287 PolarHBondContact ND2-OG1 2.85Å; N1254-T1287 PolarHBondContact O-N 3.15Å; N1254-T1287 PolarHBondContact O-OG1 3.05Å |
| 1255 | V | 96.1 | Very high | 88 | Confident | 0.6 Ų | 0.6 | 49.8 Ų | 49.8 | 0% | 0.004 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 128.7 | 171.9 | -84.1 | 0 | 0 | 0 | 0 | 109.5 | P1230 M1233 C1241 L1242 W1253 V1284 H1285 E1286 | P1230-V1255 HydrophobicContact CB-CG1 4.34Å; P1230-V1255 HydrophobicContact CG-CG1 4.25Å; M1233-V1255 HydrophobicContact CE-CG2 4.46Å; M1233-V1255 HydrophobicContact CG-CB 4.44Å; M1233-V1255 HydrophobicContact CG-CG1 3.73Å; M1233-V1255 HydrophobicContact CG-CG2 4.03Å; M1233-V1255 HydrophobicContact SD-CG2 4.15Å; C1241-V1255 CarbonylContact C-O 3.57Å; C1241-V1255 VanDerWaalsContact CA-O 3.26Å; C1241-V1255 WeakPolarHBondContact CA-O 3.39Å; C1241-V1255 PolarHBondContact SG-O 3.43Å; L1242-V1255 HydrophobicContact CB-CG2 3.72Å; L1242-V1255 HydrophobicContact CD1-CG2 4.44Å; L1242-V1255 HydrophobicContact CG-CG2 4.38Å; L1242-V1255 PolarHBondContact N-O 2.93Å; L1242-V1255 PolarHBondContact O-N 3.19Å; W1253-V1255 HydrophobicContact CD2-CG2 4.06Å; W1253-V1255 HydrophobicContact CE3-CG2 4.35Å; W1253-V1255 HydrophobicContact CH2-CB 4.3Å; W1253-V1255 HydrophobicContact CH2-CG1 3.91Å; W1253-V1255 HydrophobicContact CH2-CG2 3.53Å; W1253-V1255 VanDerWaalsContact CH2-CG2 3.45Å; W1253-V1255 HydrophobicContact CZ2-CB 4.24Å; W1253-V1255 HydrophobicContact CZ2-CG1 3.34Å; W1253-V1255 HydrophobicContact CZ2-CG2 3.75Å; W1253-V1255 HydrophobicContact CZ3-CB 4.44Å; W1253-V1255 HydrophobicContact CZ3-CG2 4.04Å; V1255-V1284 HydrophobicContact CB-CG1 3.99Å; V1255-V1284 HydrophobicContact CG1-CG1 3.95Å; V1255-H1285 CarbonylContact C-O 3.53Å; V1255-H1285 VanDerWaalsContact CA-O 3.31Å; V1255-H1285 WeakPolarHBondContact CA-O 3.34Å; V1255-E1286 HydrophobicContact CG1-CB 3.93Å; V1255-E1286 HydrophobicContact CG1-CG 4.15Å; V1255-E1286 HydrophobicContact CG2-CB 4.03Å; V1255-E1286 HydrophobicContact CG2-CG 4.11Å |
| 1256 | K | 95.9 | Very high | 86.7 | Confident | 90 Ų | 90 | 52.8 Ų | 52.8 | 39% | 0.391 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 122.8 | 177 | -173.4 | 178.9 | 179.6 | 179.6 | 0 | 110.5 | Q1240 V1284 H1285 | Q1240-K1256 CarbonylContact O-C 3.53Å; Q1240-K1256 WeakPolarHBondContact O-CA 3.39Å; K1256-V1284 WeakPolarHBondContact O-CA 3.41Å; K1256-H1285 PolarHBondContact N-O 3.01Å; K1256-H1285 PolarHBondContact O-N 3.16Å |
| 1257 | R | 94.9 | Very high | 85.4 | Confident | 16 Ų | 16 | 54.8 Ų | 54.8 | 6% | 0.06 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 139 | 177.3 | 178.6 | 175 | 77.4 | 170.2 | 2.5 | 111.7 | M1233 L1234 L1236 L1239 Q1240 I1259 I1282 T1283 V1284 | M1233-R1257 HydrophobicContact CB-CB 4.18Å; M1233-R1257 HydrophobicContact CE-CB 3.75Å; M1233-R1257 WeakPolarHBondContact O-CD 3.41Å; M1233-R1257 VanDerWaalsContact O-CZ 3.32Å; M1233-R1257 PolarHBondContact O-NE 3.04Å; M1233-R1257 PolarHBondContact O-NH1 3.1Å; L1234-R1257 PolarHBondContact O-NH1 3.01Å; L1234-R1257 PolarHBondContact O-NH2 3.14Å; L1236-R1257 VanDerWaalsContact O-CZ 3.24Å; L1236-R1257 PolarHBondContact O-NH1 3.14Å; L1236-R1257 PolarHBondContact O-NH2 3.16Å; L1239-R1257 PolarHBondContact O-NH2 3.05Å; Q1240-R1257 PolarHBondContact O-N 3.07Å; R1257-I1259 HydrophobicContact CG-CG1 4.19Å; R1257-I1282 HydrophobicContact CG-CG2 3.87Å; R1257-T1283 CarbonylContact C-O 3.57Å; R1257-T1283 WeakPolarHBondContact CA-O 3.37Å; R1257-V1284 HydrophobicContact CB-CG2 4.23Å; R1257-V1284 HydrophobicContact CG-CG2 4.38Å |
| 1258 | T | 92.7 | Very high | 84.1 | Confident | 63.2 Ų | 63.2 | 53.4 Ų | 53.4 | 39% | 0.388 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 149.2 | 163.9 | 57.9 | 0 | 0 | 0 | 0 | 109.4 | T1283 | T1258-T1283 PolarHBondContact N-O 3.18Å; T1258-T1283 PolarHBondContact O-N 2.89Å; T1258-T1283 PolarHBondContact OG1-O 3.05Å |
| 1259 | I | 92.4 | Very high | 82.6 | Confident | 77.8 Ų | 77.8 | 53.8 Ų | 53.8 | 40% | 0.399 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 129.4 | -178.5 | -55.6 | 174.6 | 0 | 0 | 0 | 107.9 | R1257 E1280 I1281 I1282 | R1257-I1259 HydrophobicContact CG-CG1 4.19Å; I1259-E1280 HydrophobicContact CG2-CB 4.03Å; I1259-E1280 HydrophobicContact CG2-CG 4.18Å; I1259-E1280 WeakPolarHBondContact CG2-OE2 3.47Å; I1259-I1281 WeakPolarHBondContact CA-O 3.41Å; I1259-I1282 HydrophobicContact CG1-CG1 4.36Å |
| 1260 | K | 90.5 | Very high | 81.2 | Confident | 75.2 Ų | 75.2 | 55.2 Ų | 55.2 | 33% | 0.327 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 116.4 | 170.4 | 177.8 | 179.1 | 173.6 | -177.7 | 0 | 109.3 | L1262 E1280 I1281 D1416 | K1260-L1262 HydrophobicContact CD-CD2 4.45Å; K1260-L1262 HydrophobicContact CG-CD2 4.49Å; K1260-L1262 PolarHBondContact O-N 3.06Å; K1260-E1280 CarbonylContact O-C 3.55Å; K1260-E1280 VanDerWaalsContact O-CA 3.28Å; K1260-E1280 WeakPolarHBondContact O-CA 3.39Å; K1260-I1281 PolarHBondContact N-O 3.09Å; K1260-I1281 PolarHBondContact O-N 3.03Å; K1260-D1416 HydrophobicContact CD-CB 3.83Å; K1260-D1416 VanDerWaalsContact CD-O 3.23Å; K1260-D1416 WeakPolarHBondContact CD-O 3.28Å; K1260-D1416 WeakPolarHBondContact CE-O 3.33Å; K1260-D1416 VanDerWaalsContact NZ-CG 3.28Å; K1260-D1416 PolarHBondContact NZ-O 2.96Å; K1260-D1416 IonicContact NZ-OD2 2.62Å; K1260-D1416 PolarHBondContact NZ-OD2 3.4Å |
| 1261 | T | 90.7 | Very high | 79.3 | Confident | 73 Ų | 73 | 60.2 Ų | 60.2 | 45% | 0.448 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 121.6 | 173.9 | -49.1 | 0 | 0 | 0 | 0 | 109.9 | S1263 S1264 E1280 | T1261-S1263 VanDerWaalsContact CG2-O 3.29Å; T1261-S1263 WeakPolarHBondContact CG2-O 3.37Å; T1261-S1264 VanDerWaalsContact CG2-OG 3.26Å; T1261-S1264 WeakPolarHBondContact CG2-OG 3.28Å; T1261-E1280 HydrophobicContact CG2-CG 4.39Å; T1261-E1280 PolarHBondContact OG1-OE1 3.15Å |
| 1262 | L | 88 | Confident | 77.5 | Confident | 27.6 Ų | 27.6 | 65.1 Ų | 65.1 | 15% | 0.145 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | -41.4 | 176.7 | -62.6 | 178.3 | 0 | 0 | 0 | 111.5 | K1260 A1279 I1281 F1304 L1400 C1404 L1418 | K1260-L1262 HydrophobicContact CD-CD2 4.45Å; K1260-L1262 HydrophobicContact CG-CD2 4.49Å; K1260-L1262 PolarHBondContact O-N 3.06Å; L1262-A1279 HydrophobicContact CB-CB 4.39Å; L1262-A1279 WeakPolarHBondContact CB-O 3.29Å; L1262-A1279 PolarHBondContact N-O 2.99Å; L1262-I1281 HydrophobicContact CD1-CD1 4.13Å; L1262-I1281 HydrophobicContact CD1-CG1 3.73Å; L1262-I1281 HydrophobicContact CD2-CD1 3.84Å; L1262-I1281 HydrophobicContact CD2-CG1 4.01Å; L1262-I1281 HydrophobicContact CG-CD1 4.3Å; L1262-I1281 HydrophobicContact CG-CG1 3.94Å; L1262-F1304 HydrophobicContact CD1-CD2 4.25Å; L1262-F1304 HydrophobicContact CD1-CE2 4.14Å; L1262-L1400 HydrophobicContact CB-CD2 4Å; L1262-L1400 HydrophobicContact CD1-CD1 4.23Å; L1262-C1404 HydrophobicContact CD2-CB 4.49Å; L1262-L1418 HydrophobicContact CD1-CD1 4.22Å; L1262-L1418 HydrophobicContact CD1-CD2 4.14Å; L1262-L1418 HydrophobicContact CD1-CG 4.24Å |
| 1263 | S | 86.3 | Confident | 75.7 | Confident | 27.2 Ų | 27.2 | 64.8 Ų | 64.8 | 19% | 0.19 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 147.8 | 175.6 | 67.7 | 0 | 0 | 0 | 0 | 110.1 | T1261 S1278 A1279 C1396 | T1261-S1263 VanDerWaalsContact CG2-O 3.29Å; T1261-S1263 WeakPolarHBondContact CG2-O 3.37Å; S1263-S1278 CarbonylContact O-C 3.52Å; S1263-S1278 VanDerWaalsContact O-CA 3.26Å; S1263-S1278 WeakPolarHBondContact O-CA 3.17Å; S1263-S1278 WeakPolarHBondContact O-CB 3.21Å; S1263-A1279 PolarHBondContact N-O 3.05Å; S1263-A1279 PolarHBondContact O-N 3.1Å; S1263-A1279 VanDerWaalsContact O-N 3.08Å; S1263-A1279 WeakPolarHBondContact OG-CB 3.42Å; S1263-C1396 PolarHBondContact OG-SG 2.96Å; S1263-C1396 VanDerWaalsContact OG-SG 3.38Å |
| 1264 | S | 81.9 | Confident | 74.1 | Confident | 84.8 Ų | 84.8 | 71.5 Ų | 71.5 | 59% | 0.593 | 42% | 0.42 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 114.4 | 165.2 | -107.3 | 0 | 0 | 0 | 0 | 106.5 | T1261 C1277 | T1261-S1264 VanDerWaalsContact CG2-OG 3.26Å; T1261-S1264 WeakPolarHBondContact CG2-OG 3.28Å; S1264-C1277 WeakPolarHBondContact CA-O 3.45Å |
| 1265 | S | 75.6 | Confident | 73.1 | Confident | 49.4 Ų | 49.4 | 71.6 Ų | 71.6 | 35% | 0.345 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 157.7 | -176.4 | 67.4 | 0 | 0 | 0 | 0 | 110.6 | C1277 | S1265-C1277 PolarHBondContact N-O 2.99Å; S1265-C1277 PolarHBondContact O-N 3.25Å; S1265-C1277 VanDerWaalsContact O-O 3.08Å; S1265-C1277 PolarHBondContact O-SG 2.86Å; S1265-C1277 PolarHBondContact OG-SG 3.2Å |
| 1266 | S | 65 | Low | 72.6 | Confident | 75.4 Ų | 75.4 | 76.7 Ų | 76.7 | 53% | 0.527 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 110.3 | 170.3 | -13.3 | 0 | 0 | 0 | 0 | 108.3 | S1268 I1275 | S1266-S1268 PolarHBondContact O-N 2.9Å; S1266-I1275 CarbonylContact C-O 3.55Å; S1266-I1275 VanDerWaalsContact CA-O 3.27Å; S1266-I1275 WeakPolarHBondContact CA-O 3.29Å |
| 1267 | I | 59.8 | Low | 72.3 | Confident | 44 Ų | 44 | 72.5 Ų | 72.5 | 23% | 0.226 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 121.5 | 177.9 | -58.8 | 173.2 | 0 | 0 | 0 | 107.6 | L1269 K1274 I1275 C1277 | I1267-L1269 HydrophobicContact CG2-CB 4.44Å; I1267-L1269 HydrophobicContact CG2-CD1 3.8Å; I1267-L1269 PolarHBondContact O-N 3.34Å; I1267-K1274 WeakPolarHBondContact O-CA 3.43Å; I1267-I1275 PolarHBondContact N-O 3.21Å; I1267-I1275 PolarHBondContact O-N 3.19Å; I1267-C1277 VanDerWaalsContact CD1-SG 3.6Å |
| 1268 | S | 51.5 | Low | 72.1 | Confident | 88.6 Ų | 88.6 | 72.5 Ų | 72.5 | 62% | 0.62 | 43% | 0.428 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 96.9 | 172.7 | 95.6 | 0 | 0 | 0 | 0 | 109.3 | S1266 G1270 V1273 | S1266-S1268 PolarHBondContact O-N 2.9Å; S1268-G1270 VanDerWaalsContact C-N 3.31Å; S1268-G1270 PolarHBondContact O-N 2.99Å; S1268-G1270 PolarHBondContact OG-O 2.62Å; S1268-V1273 CarbonylContact C-O 3.57Å; S1268-V1273 WeakPolarHBondContact CA-O 3.45Å |
| 1269 | L | 46.3 | Very low | 72.2 | Confident | 109.6 Ų | 109.6 | 69.5 Ų | 69.5 | 57% | 0.574 | 41% | 0.41 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 98.5 | 172.6 | -117.2 | 85.4 | 0 | 0 | 0 | 109.2 | I1267 I1271 V1273 I1275 | I1267-L1269 HydrophobicContact CG2-CB 4.44Å; I1267-L1269 HydrophobicContact CG2-CD1 3.8Å; I1267-L1269 PolarHBondContact O-N 3.34Å; L1269-I1271 PolarHBondContact O-N 2.89Å; L1269-V1273 PolarHBondContact N-O 3.21Å; L1269-V1273 VanDerWaalsContact N-O 3.09Å; L1269-I1275 HydrophobicContact CD1-CD1 4.16Å; L1269-I1275 HydrophobicContact CD2-CD1 4.12Å |
| 1270 | G | 47.7 | Very low | 72.3 | Confident | 67.2 Ų | 67.2 | 66.6 Ų | 66.6 | 69% | 0.693 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.5 | -155.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | S1268 S1272 | S1268-G1270 VanDerWaalsContact C-N 3.31Å; S1268-G1270 PolarHBondContact O-N 2.99Å; S1268-G1270 PolarHBondContact OG-O 2.62Å; G1270-S1272 VanDerWaalsContact C-N 3.31Å; G1270-S1272 PolarHBondContact O-N 2.89Å; G1270-S1272 VanDerWaalsContact O-N 3.09Å |
| 1271 | I | 44.6 | Very low | 72.4 | Confident | 162.2 Ų | 162.2 | 63.1 Ų | 63.1 | 83% | 0.832 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.2 | 25 | -170.3 | -60.7 | 171.9 | 0 | 0 | 0 | 110.9 | L1269 V1273 | L1269-I1271 PolarHBondContact O-N 2.89Å; I1271-V1273 WeakPolarHBondContact O-CB 3.49Å; I1271-V1273 WeakPolarHBondContact O-CG2 3.46Å; I1271-V1273 PolarHBondContact O-N 3.08Å |
| 1272 | S | 47.1 | Very low | 72.6 | Confident | 121.6 Ų | 121.6 | 59.7 Ų | 59.7 | 85% | 0.85 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -154.1 | 3.4 | 177.4 | -48.4 | 0 | 0 | 0 | 0 | 119.3 | G1270 | G1270-S1272 VanDerWaalsContact C-N 3.31Å; G1270-S1272 PolarHBondContact O-N 2.89Å; G1270-S1272 VanDerWaalsContact O-N 3.09Å |
| 1273 | V | 53.9 | Low | 72.9 | Confident | 64.8 Ų | 64.8 | 58.8 Ų | 58.8 | 39% | 0.393 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 116.8 | -176.1 | -178.4 | 0 | 0 | 0 | 0 | 109.8 | S1268 L1269 I1271 I1275 P1311 | S1268-V1273 CarbonylContact C-O 3.57Å; S1268-V1273 WeakPolarHBondContact CA-O 3.45Å; L1269-V1273 PolarHBondContact N-O 3.21Å; L1269-V1273 VanDerWaalsContact N-O 3.09Å; I1271-V1273 WeakPolarHBondContact O-CB 3.49Å; I1271-V1273 WeakPolarHBondContact O-CG2 3.46Å; I1271-V1273 PolarHBondContact O-N 3.08Å; V1273-I1275 HydrophobicContact CG1-CG1 4.31Å; V1273-I1275 PolarHBondContact O-N 3.49Å; V1273-P1311 HydrophobicContact CG1-CG 3.71Å; V1273-P1311 VanDerWaalsContact CG1-CG 3.45Å |
| 1274 | K | 59.8 | Low | 73.3 | Confident | 162.6 Ų | 162.6 | 57.5 Ų | 57.5 | 71% | 0.707 | 35% | 0.346 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 113.6 | 170.3 | -74.3 | -175.4 | 177.5 | -175.5 | 0 | 108.6 | I1267 | I1267-K1274 WeakPolarHBondContact O-CA 3.43Å |
| 1275 | I | 74.6 | Confident | 73.9 | Confident | 22.8 Ų | 22.8 | 56.4 Ų | 56.4 | 12% | 0.117 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 128.3 | 169.8 | -60.9 | 175 | 0 | 0 | 0 | 106.9 | S1266 I1267 L1269 V1273 E1308 I1309 I1310 | S1266-I1275 CarbonylContact C-O 3.55Å; S1266-I1275 VanDerWaalsContact CA-O 3.27Å; S1266-I1275 WeakPolarHBondContact CA-O 3.29Å; I1267-I1275 PolarHBondContact N-O 3.21Å; I1267-I1275 PolarHBondContact O-N 3.19Å; L1269-I1275 HydrophobicContact CD1-CD1 4.16Å; L1269-I1275 HydrophobicContact CD2-CD1 4.12Å; V1273-I1275 HydrophobicContact CG1-CG1 4.31Å; V1273-I1275 PolarHBondContact O-N 3.49Å; I1275-E1308 HydrophobicContact CG2-CB 4.33Å; I1275-E1308 HydrophobicContact CG2-CG 3.72Å; I1275-E1308 WeakPolarHBondContact CG2-OE1 3.42Å; I1275-I1309 WeakPolarHBondContact CG2-O 3.45Å; I1275-I1310 HydrophobicContact CG2-CG1 4.43Å |
| 1276 | Q | 84.6 | Confident | 74.8 | Confident | 107 Ų | 107 | 55.4 Ų | 55.4 | 50% | 0.5 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 124.4 | 173.8 | -162.8 | 177.9 | -14.3 | 0 | 0 | 108.7 | E1308 I1309 | Q1276-E1308 WeakPolarHBondContact O-CA 3.34Å; Q1276-I1309 HydrophobicContact CB-CB 4.41Å; Q1276-I1309 HydrophobicContact CB-CD1 4.46Å; Q1276-I1309 HydrophobicContact CG-CD1 4.39Å; Q1276-I1309 PolarHBondContact O-N 3.17Å |
| 1277 | C | 89.8 | Confident | 76.1 | Confident | 3.4 Ų | 3.4 | 52.8 Ų | 52.8 | 2% | 0.023 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 151.2 | 175 | 64 | 0 | 0 | 0 | 0 | 110.9 | S1264 S1265 I1267 F1306 K1307 E1308 | S1264-C1277 WeakPolarHBondContact CA-O 3.45Å; S1265-C1277 PolarHBondContact N-O 2.99Å; S1265-C1277 PolarHBondContact O-N 3.25Å; S1265-C1277 VanDerWaalsContact O-O 3.08Å; S1265-C1277 PolarHBondContact O-SG 2.86Å; S1265-C1277 PolarHBondContact OG-SG 3.2Å; I1267-C1277 VanDerWaalsContact CD1-SG 3.6Å; C1277-F1306 HydrophobicContact CB-CE2 4.1Å; C1277-F1306 HydrophobicContact CB-CZ 3.81Å; C1277-K1307 CarbonylContact C-O 3.53Å; C1277-K1307 VanDerWaalsContact CA-O 3.28Å; C1277-K1307 WeakPolarHBondContact CA-O 3.37Å; C1277-K1307 WeakPolarHBondContact CB-O 3.25Å; C1277-E1308 HydrophobicContact CB-CG 4.01Å |
| 1278 | S | 91.9 | Very high | 77.5 | Confident | 14.6 Ų | 14.6 | 54.1 Ų | 54.1 | 10% | 0.102 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 140.9 | 176.1 | 58 | 0 | 0 | 0 | 0 | 111.3 | S1263 E1280 F1306 K1307 | S1263-S1278 CarbonylContact O-C 3.52Å; S1263-S1278 VanDerWaalsContact O-CA 3.26Å; S1263-S1278 WeakPolarHBondContact O-CA 3.17Å; S1263-S1278 WeakPolarHBondContact O-CB 3.21Å; S1278-E1280 PolarHBondContact OG-OE1 3.33Å; S1278-F1306 WeakPolarHBondContact O-CA 3.38Å; S1278-K1307 PolarHBondContact N-O 3.13Å; S1278-K1307 PolarHBondContact O-N 3.3Å; S1278-K1307 WeakPolarHBondContact OG-CE 3.26Å; S1278-K1307 WeakPolarHBondContact OG-CG 3.43Å |
| 1279 | A | 93.7 | Very high | 79.1 | Confident | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 133 | 169.4 | 0 | 0 | 0 | 0 | 0 | 109.2 | L1262 S1263 F1304 C1305 F1306 | L1262-A1279 HydrophobicContact CB-CB 4.39Å; L1262-A1279 WeakPolarHBondContact CB-O 3.29Å; L1262-A1279 PolarHBondContact N-O 2.99Å; S1263-A1279 PolarHBondContact N-O 3.05Å; S1263-A1279 PolarHBondContact O-N 3.1Å; S1263-A1279 VanDerWaalsContact O-N 3.08Å; S1263-A1279 WeakPolarHBondContact OG-CB 3.42Å; A1279-F1304 HydrophobicContact CB-CE2 3.98Å; A1279-F1304 HydrophobicContact CB-CZ 4.09Å; A1279-C1305 CarbonylContact C-O 3.53Å; A1279-C1305 WeakPolarHBondContact CA-O 3.36Å; A1279-F1306 HydrophobicContact CB-CD2 4.3Å |
| 1280 | E | 94.2 | Very high | 80.6 | Confident | 17.2 Ų | 17.2 | 49.4 Ų | 49.4 | 8% | 0.08 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 148.5 | -172.1 | -59.7 | -178.6 | 157.3 | 0 | 0 | 110.9 | I1259 K1260 T1261 S1278 C1305 K1307 | I1259-E1280 HydrophobicContact CG2-CB 4.03Å; I1259-E1280 HydrophobicContact CG2-CG 4.18Å; I1259-E1280 WeakPolarHBondContact CG2-OE2 3.47Å; K1260-E1280 CarbonylContact O-C 3.55Å; K1260-E1280 VanDerWaalsContact O-CA 3.28Å; K1260-E1280 WeakPolarHBondContact O-CA 3.39Å; T1261-E1280 HydrophobicContact CG2-CG 4.39Å; T1261-E1280 PolarHBondContact OG1-OE1 3.15Å; S1278-E1280 PolarHBondContact OG-OE1 3.33Å; E1280-C1305 HydrophobicContact CB-CB 4.44Å; E1280-C1305 PolarHBondContact N-O 3.03Å; E1280-C1305 PolarHBondContact O-N 3.11Å; E1280-K1307 VanDerWaalsContact CD-CE 3.48Å; E1280-K1307 VanDerWaalsContact OE1-CE 3.25Å; E1280-K1307 WeakPolarHBondContact OE1-CE 3.36Å; E1280-K1307 IonicContact OE1-NZ 3.21Å; E1280-K1307 PolarHBondContact OE1-NZ 3.01Å; E1280-K1307 VanDerWaalsContact OE2-CE 3.32Å; E1280-K1307 WeakPolarHBondContact OE2-CE 3.31Å; E1280-K1307 IonicContact OE2-NZ 3.37Å; E1280-K1307 PolarHBondContact OE2-NZ 3.14Å |
| 1281 | I | 93.5 | Very high | 81.6 | Confident | 2.8 Ų | 2.8 | 50.4 Ų | 50.4 | 1% | 0.014 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 120.8 | 162.2 | -57.4 | 179.3 | 0 | 0 | 0 | 107.1 | I1259 K1260 L1262 K1302 W1303 L1418 | I1259-I1281 WeakPolarHBondContact CA-O 3.41Å; K1260-I1281 PolarHBondContact N-O 3.09Å; K1260-I1281 PolarHBondContact O-N 3.03Å; L1262-I1281 HydrophobicContact CD1-CD1 4.13Å; L1262-I1281 HydrophobicContact CD1-CG1 3.73Å; L1262-I1281 HydrophobicContact CD2-CD1 3.84Å; L1262-I1281 HydrophobicContact CD2-CG1 4.01Å; L1262-I1281 HydrophobicContact CG-CD1 4.3Å; L1262-I1281 HydrophobicContact CG-CG1 3.94Å; I1281-K1302 HydrophobicContact CG2-CD 3.99Å; I1281-K1302 HydrophobicContact CG2-CG 3.6Å; I1281-W1303 WeakPolarHBondContact CA-O 3.3Å; I1281-L1418 HydrophobicContact CD1-CD2 3.89Å; I1281-L1418 HydrophobicContact CD1-CG 3.96Å; I1281-L1418 HydrophobicContact CG1-CD2 3.99Å; I1281-L1418 HydrophobicContact CG1-CG 4.49Å |
| 1282 | I | 94.6 | Very high | 82.8 | Confident | 1 Ų | 1 | 47 Ų | 47 | 1% | 0.005 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 120.4 | 172.3 | -56.5 | -179.5 | 0 | 0 | 0 | 107.3 | L1234 R1257 I1259 V1284 K1302 W1303 C1305 | L1234-I1282 HydrophobicContact CD2-CB 4.32Å; L1234-I1282 HydrophobicContact CD2-CD1 4.09Å; L1234-I1282 HydrophobicContact CD2-CG2 4.21Å; L1234-I1282 WeakPolarHBondContact O-CD1 3.41Å; R1257-I1282 HydrophobicContact CG-CG2 3.87Å; I1259-I1282 HydrophobicContact CG1-CG1 4.36Å; I1282-V1284 HydrophobicContact CG2-CG2 4.43Å; I1282-K1302 CarbonylContact O-C 3.57Å; I1282-K1302 VanDerWaalsContact O-CA 3.32Å; I1282-K1302 WeakPolarHBondContact O-CA 3.37Å; I1282-W1303 PolarHBondContact N-O 2.91Å; I1282-W1303 PolarHBondContact O-N 3.11Å; I1282-C1305 HydrophobicContact CD1-CB 3.75Å; I1282-C1305 HydrophobicContact CG1-CB 4.09Å |
| 1283 | T | 94.3 | Very high | 83.7 | Confident | 9.4 Ų | 9.4 | 44.1 Ų | 44.1 | 6% | 0.058 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 128 | 176.3 | -56.4 | 0 | 0 | 0 | 0 | 109.1 | R1257 T1258 I1300 H1301 K1302 | R1257-T1283 CarbonylContact C-O 3.57Å; R1257-T1283 WeakPolarHBondContact CA-O 3.37Å; T1258-T1283 PolarHBondContact N-O 3.18Å; T1258-T1283 PolarHBondContact O-N 2.89Å; T1258-T1283 PolarHBondContact OG1-O 3.05Å; T1283-I1300 HydrophobicContact CG2-CG2 3.63Å; T1283-H1301 CarbonylContact C-O 3.51Å; T1283-H1301 WeakPolarHBondContact CA-O 3.3Å; T1283-K1302 HydrophobicContact CG2-CG 4.07Å |
| 1284 | V | 95 | Very high | 84.1 | Confident | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 117.2 | 174.9 | 178.5 | 0 | 0 | 0 | 0 | 108.4 | P1230 M1233 V1255 K1256 R1257 I1282 H1301 W1303 | P1230-V1284 HydrophobicContact CB-CG1 4.11Å; M1233-V1284 HydrophobicContact CB-CG2 3.83Å; M1233-V1284 HydrophobicContact CG-CG1 4.37Å; M1233-V1284 HydrophobicContact CG-CG2 4.29Å; V1255-V1284 HydrophobicContact CB-CG1 3.99Å; V1255-V1284 HydrophobicContact CG1-CG1 3.95Å; K1256-V1284 WeakPolarHBondContact O-CA 3.41Å; R1257-V1284 HydrophobicContact CB-CG2 4.23Å; R1257-V1284 HydrophobicContact CG-CG2 4.38Å; I1282-V1284 HydrophobicContact CG2-CG2 4.43Å; V1284-H1301 HydrophobicContact CB-CB 4.4Å; V1284-H1301 PolarHBondContact N-O 3.05Å; V1284-H1301 PolarHBondContact O-N 3.18Å; V1284-W1303 HydrophobicContact CB-CH2 4.37Å; V1284-W1303 HydrophobicContact CB-CZ3 3.85Å; V1284-W1303 HydrophobicContact CG2-CE3 4.4Å; V1284-W1303 HydrophobicContact CG2-CH2 4.33Å; V1284-W1303 HydrophobicContact CG2-CZ3 3.62Å |
| 1285 | H | 93.9 | Very high | 84.7 | Confident | 61.2 Ų | 61.2 | 44.3 Ų | 44.3 | 28% | 0.283 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 118.5 | 171 | -65.1 | -86.9 | 0 | 0 | 0 | 108.3 | V1255 K1256 | V1255-H1285 CarbonylContact C-O 3.53Å; V1255-H1285 VanDerWaalsContact CA-O 3.31Å; V1255-H1285 WeakPolarHBondContact CA-O 3.34Å; K1256-H1285 PolarHBondContact N-O 3.01Å; K1256-H1285 PolarHBondContact O-N 3.16Å |
| 1286 | E | 94.4 | Very high | 85 | Confident | 27.6 Ų | 27.6 | 48.7 Ų | 48.7 | 13% | 0.129 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 125.1 | 174.4 | 169.3 | 178.1 | -130.5 | 0 | 0 | 108.7 | P1230 W1253 N1254 V1255 N1298 T1299 H1301 | P1230-E1286 HydrophobicContact CG-CB 4.43Å; P1230-E1286 HydrophobicContact CG-CG 4.47Å; P1230-E1286 WeakPolarHBondContact CG-OE1 3.39Å; W1253-E1286 PolarHBondContact NE1-OE1 3.1Å; N1254-E1286 CarbonylContact O-C 3.48Å; N1254-E1286 WeakPolarHBondContact O-CA 3.37Å; V1255-E1286 HydrophobicContact CG1-CB 3.93Å; V1255-E1286 HydrophobicContact CG1-CG 4.15Å; V1255-E1286 HydrophobicContact CG2-CB 4.03Å; V1255-E1286 HydrophobicContact CG2-CG 4.11Å; E1286-N1298 CarbonylContact O-C 3.49Å; E1286-N1298 WeakPolarHBondContact O-CA 3.32Å; E1286-T1299 VanDerWaalsContact CB-OG1 3.28Å; E1286-T1299 WeakPolarHBondContact CB-OG1 3.4Å; E1286-T1299 VanDerWaalsContact CG-OG1 3.31Å; E1286-T1299 WeakPolarHBondContact CG-OG1 3.31Å; E1286-T1299 PolarHBondContact N-O 2.95Å; E1286-T1299 PolarHBondContact O-N 3.07Å; E1286-T1299 PolarHBondContact O-OG1 3.03Å; E1286-T1299 PolarHBondContact OE2-OG1 3.15Å; E1286-H1301 IonicContact OE2-CD2 3.67Å; E1286-H1301 IonicContact OE2-CE1 3.47Å; E1286-H1301 IonicContact OE2-NE2 3.36Å; E1286-H1301 PolarHBondContact OE2-NE2 3.1Å |
| 1287 | T | 92.7 | Very high | 85 | Confident | 21.8 Ų | 21.8 | 47.2 Ų | 47.2 | 13% | 0.134 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 121.1 | 176.9 | -41.9 | 0 | 0 | 0 | 0 | 107.8 | Y1252 W1253 N1254 E1296 T1297 N1298 | Y1252-T1287 HydrophobicContact CE1-CG2 4.47Å; W1253-T1287 CarbonylContact C-O 3.52Å; W1253-T1287 WeakPolarHBondContact CA-O 3.33Å; N1254-T1287 WeakPolarHBondContact CB-OG1 3.39Å; N1254-T1287 PolarHBondContact N-O 3.13Å; N1254-T1287 PolarHBondContact ND2-OG1 2.85Å; N1254-T1287 PolarHBondContact O-N 3.15Å; N1254-T1287 PolarHBondContact O-OG1 3.05Å; T1287-E1296 HydrophobicContact CG2-CG 3.78Å; T1287-E1296 WeakPolarHBondContact CG2-OE1 3.29Å; T1287-T1297 WeakPolarHBondContact CA-O 3.4Å; T1287-N1298 WeakPolarHBondContact CA-OD1 3.33Å; T1287-N1298 VanDerWaalsContact CB-OD1 3.27Å; T1287-N1298 WeakPolarHBondContact CB-OD1 3.36Å; T1287-N1298 VanDerWaalsContact CG2-OD1 3.27Å; T1287-N1298 WeakPolarHBondContact CG2-OD1 3.39Å; T1287-N1298 PolarHBondContact OG1-OD1 3.16Å |
| 1288 | Q | 89.5 | Confident | 85 | Confident | 71.4 Ų | 71.4 | 51.5 Ų | 51.5 | 33% | 0.334 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 128.1 | 175.2 | -178.2 | 178.5 | -1.1 | 0 | 0 | 109.8 | Y1252 T1297 | Y1252-Q1288 CarbonylContact O-C 3.6Å; Y1252-Q1288 WeakPolarHBondContact O-CA 3.31Å; Q1288-T1297 WeakPolarHBondContact CB-OG1 3.38Å; Q1288-T1297 PolarHBondContact N-O 3.01Å; Q1288-T1297 PolarHBondContact O-N 3.21Å; Q1288-T1297 PolarHBondContact O-OG1 3Å |
| 1289 | C | 84.7 | Confident | 84.9 | Confident | 27.6 Ų | 27.6 | 53.3 Ų | 53.3 | 19% | 0.186 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 135.7 | 176.2 | -46.3 | 0 | 0 | 0 | 0 | 109.1 | Y1252 E1296 | Y1252-C1289 HydrophobicContact CD1-CB 4.46Å; Y1252-C1289 PolarHBondContact N-O 3.06Å; Y1252-C1289 PolarHBondContact O-N 3.19Å; C1289-E1296 VanDerWaalsContact SG-CG 3.56Å |
| 1290 | N | 78.8 | Confident | 84.8 | Confident | 71.6 Ų | 71.6 | 56.4 Ų | 56.4 | 38% | 0.383 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 113.8 | 162.2 | -117.4 | -12.8 | 0 | 0 | 0 | 107.4 | N1250 S1292 S1293 | N1250-N1290 WeakPolarHBondContact CB-OD1 3.48Å; N1250-N1290 CarbonylContact O-C 3.49Å; N1250-N1290 VanDerWaalsContact O-CA 3.26Å; N1250-N1290 WeakPolarHBondContact O-CA 3.4Å; N1250-N1290 PolarHBondContact O-OD1 3.13Å; N1290-S1292 VanDerWaalsContact CG-OG 3.28Å; N1290-S1292 PolarHBondContact ND2-OG 2.9Å; N1290-S1292 PolarHBondContact O-N 3.1Å; N1290-S1292 PolarHBondContact OD1-N 2.91Å; N1290-S1292 PolarHBondContact OD1-OG 3.07Å; N1290-S1293 WeakPolarHBondContact CB-OG 3.35Å; N1290-S1293 PolarHBondContact ND2-OG 2.97Å; N1290-S1293 CarbonylContact O-C 3.56Å; N1290-S1293 PolarHBondContact O-N 3.18Å; N1290-S1293 PolarHBondContact O-OG 3.42Å |
| 1291 | L | 67.9 | Low | 84.7 | Confident | 88.2 Ų | 88.2 | 57.1 Ų | 57.1 | 46% | 0.462 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -14.9 | -175.4 | -78.3 | 111 | 0 | 0 | 0 | 113.7 | S1246 M1247 N1250 | S1246-L1291 WeakPolarHBondContact O-CD1 3.37Å; M1247-L1291 HydrophobicContact CE-CD1 4.25Å; M1247-L1291 HydrophobicContact CE-CD2 4.48Å; M1247-L1291 HydrophobicContact SD-CD1 3.97Å; M1247-L1291 HydrophobicContact SD-CD2 4.22Å; N1250-L1291 HydrophobicContact CB-CB 3.89Å; N1250-L1291 PolarHBondContact ND2-N 3.22Å; N1250-L1291 WeakPolarHBondContact O-CD1 2.92Å; N1250-L1291 PolarHBondContact O-N 3.16Å; N1250-L1291 WeakPolarHBondContact OD1-CA 3.32Å; N1250-L1291 WeakPolarHBondContact OD1-CB 3.33Å; N1250-L1291 PolarHBondContact OD1-N 2.91Å |
| 1292 | S | 70 | Confident | 84.6 | Confident | 90 Ų | 90 | 58.1 Ų | 58.1 | 63% | 0.629 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.3 | -8.4 | 175.9 | 64 | 0 | 0 | 0 | 0 | 115.2 | N1250 N1290 | N1250-S1292 VanDerWaalsContact CG-N 3.35Å; N1250-S1292 VanDerWaalsContact ND2-CB 3.3Å; N1250-S1292 WeakPolarHBondContact ND2-CB 3.48Å; N1250-S1292 PolarHBondContact ND2-N 3.25Å; N1250-S1292 PolarHBondContact ND2-OG 3.04Å; N1250-S1292 VanDerWaalsContact OD1-CB 3.3Å; N1250-S1292 WeakPolarHBondContact OD1-CB 3.21Å; N1250-S1292 PolarHBondContact OD1-N 2.91Å; N1290-S1292 VanDerWaalsContact CG-OG 3.28Å; N1290-S1292 PolarHBondContact ND2-OG 2.9Å; N1290-S1292 PolarHBondContact O-N 3.1Å; N1290-S1292 PolarHBondContact OD1-N 2.91Å; N1290-S1292 PolarHBondContact OD1-OG 3.07Å |
| 1293 | S | 66.5 | Low | 84.7 | Confident | 60.4 Ų | 60.4 | 58.3 Ų | 58.3 | 42% | 0.422 | 33% | 0.33 | S | S | . | . | S | Bend | trans | -137.4 | 131.5 | -176.3 | 18.6 | 0 | 0 | 0 | 0 | 110.4 | N1290 G1295 | N1290-S1293 WeakPolarHBondContact CB-OG 3.35Å; N1290-S1293 PolarHBondContact ND2-OG 2.97Å; N1290-S1293 CarbonylContact O-C 3.56Å; N1290-S1293 PolarHBondContact O-N 3.18Å; N1290-S1293 PolarHBondContact O-OG 3.42Å; S1293-G1295 PolarHBondContact O-N 3.19Å |
| 1294 | D | 61.3 | Low | 84.7 | Confident | 184 Ų | 184 | 57.8 Ų | 57.8 | 98% | 0.984 | 33% | 0.327 | S | S | * | . | S | Bend | trans | -66.1 | 11.2 | -175.7 | -84.5 | -18.1 | 0 | 0 | 0 | 115.5 | E1296 | D1294-E1296 PolarHBondContact O-N 3.36Š|
| 1295 | G | 72 | Confident | 84.8 | Confident | 47.4 Ų | 47.4 | 57.9 Ų | 57.9 | 49% | 0.489 | 33% | 0.328 | S | S | . | . | trans | -87.1 | 105.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | S1293 | S1293-G1295 PolarHBondContact O-N 3.19Š| ||
| 1296 | E | 81.6 | Confident | 84.9 | Confident | 116 Ų | 116 | 55 Ų | 55 | 54% | 0.542 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 117.9 | 164.9 | 178.3 | 178.1 | 158.8 | 0 | 0 | 109.4 | T1287 C1289 D1294 N1298 | T1287-E1296 HydrophobicContact CG2-CG 3.78Å; T1287-E1296 WeakPolarHBondContact CG2-OE1 3.29Å; C1289-E1296 VanDerWaalsContact SG-CG 3.56Å; D1294-E1296 PolarHBondContact O-N 3.36Å; E1296-N1298 PolarHBondContact OE1-ND2 3.09Å; E1296-N1298 PolarHBondContact OE1-OD1 3.17Å |
| 1297 | T | 85.3 | Confident | 85 | Confident | 76.6 Ų | 76.6 | 55.5 Ų | 55.5 | 47% | 0.47 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 120.4 | 172.8 | 56 | 0 | 0 | 0 | 0 | 109.6 | T1287 Q1288 | T1287-T1297 WeakPolarHBondContact CA-O 3.4Å; Q1288-T1297 WeakPolarHBondContact CB-OG1 3.38Å; Q1288-T1297 PolarHBondContact N-O 3.01Å; Q1288-T1297 PolarHBondContact O-N 3.21Å; Q1288-T1297 PolarHBondContact O-OG1 3Å |
| 1298 | N | 88.4 | Confident | 85 | Confident | 92.2 Ų | 92.2 | 54.8 Ų | 54.8 | 49% | 0.493 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 114.5 | 176.3 | -79.6 | -45.3 | 0 | 0 | 0 | 110.1 | E1286 T1287 E1296 | E1286-N1298 CarbonylContact O-C 3.49Å; E1286-N1298 WeakPolarHBondContact O-CA 3.32Å; T1287-N1298 WeakPolarHBondContact CA-OD1 3.33Å; T1287-N1298 VanDerWaalsContact CB-OD1 3.27Å; T1287-N1298 WeakPolarHBondContact CB-OD1 3.36Å; T1287-N1298 VanDerWaalsContact CG2-OD1 3.27Å; T1287-N1298 WeakPolarHBondContact CG2-OD1 3.39Å; T1287-N1298 PolarHBondContact OG1-OD1 3.16Å; E1296-N1298 PolarHBondContact OE1-ND2 3.09Å; E1296-N1298 PolarHBondContact OE1-OD1 3.17Å |
| 1299 | T | 90.6 | Very high | 85.2 | Confident | 53 Ų | 53 | 53.5 Ų | 53.5 | 33% | 0.325 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 141.5 | 177.5 | 46.6 | 0 | 0 | 0 | 0 | 109.6 | E1286 H1301 | E1286-T1299 VanDerWaalsContact CB-OG1 3.28Å; E1286-T1299 WeakPolarHBondContact CB-OG1 3.4Å; E1286-T1299 VanDerWaalsContact CG-OG1 3.31Å; E1286-T1299 WeakPolarHBondContact CG-OG1 3.31Å; E1286-T1299 PolarHBondContact N-O 2.95Å; E1286-T1299 PolarHBondContact O-N 3.07Å; E1286-T1299 PolarHBondContact O-OG1 3.03Å; E1286-T1299 PolarHBondContact OE2-OG1 3.15Å; T1299-H1301 PolarHBondContact OG1-NE2 3.27Å |
| 1300 | I | 90.9 | Very high | 85.3 | Confident | 64.6 Ų | 64.6 | 52.8 Ų | 52.8 | 33% | 0.331 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 121.1 | 178.4 | -58 | 179.4 | 0 | 0 | 0 | 107.7 | T1283 K1302 N1334 | T1283-I1300 HydrophobicContact CG2-CG2 3.63Å; I1300-K1302 HydrophobicContact CG2-CG 4.17Å; I1300-N1334 PolarHBondContact O-ND2 3.03Å |
| 1301 | H | 92.6 | Very high | 85.7 | Confident | 32.6 Ų | 32.6 | 52 Ų | 52 | 15% | 0.151 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 128.9 | 175.3 | -53.8 | -95.5 | 0 | 0 | 0 | 108.9 | T1283 V1284 E1286 T1299 W1303 | T1283-H1301 CarbonylContact C-O 3.51Å; T1283-H1301 WeakPolarHBondContact CA-O 3.3Å; V1284-H1301 HydrophobicContact CB-CB 4.4Å; V1284-H1301 PolarHBondContact N-O 3.05Å; V1284-H1301 PolarHBondContact O-N 3.18Å; E1286-H1301 IonicContact OE2-CD2 3.67Å; E1286-H1301 IonicContact OE2-CE1 3.47Å; E1286-H1301 IonicContact OE2-NE2 3.36Å; E1286-H1301 PolarHBondContact OE2-NE2 3.1Å; T1299-H1301 PolarHBondContact OG1-NE2 3.27Å; H1301-W1303 HydrophobicContact CB-CE3 4.33Å; H1301-W1303 HydrophobicContact CB-CH2 3.16Å; H1301-W1303 HydrophobicContact CB-CZ2 3.86Å; H1301-W1303 HydrophobicContact CB-CZ3 3.42Å; H1301-W1303 VanDerWaalsContact CB-CZ3 3.42Å; H1301-W1303 AromaticContact CG-CH2 3.96Å; H1301-W1303 VanDerWaalsContact O-CZ3 3.31Å; H1301-W1303 WeakPolarHBondContact O-CZ3 3.45Å |
| 1302 | K | 92.7 | Very high | 86.5 | Confident | 23.4 Ų | 23.4 | 49.2 Ų | 49.2 | 10% | 0.102 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 140.4 | 178.5 | -72.5 | -177.3 | 178.9 | 179.1 | 0 | 111 | I1281 I1282 T1283 I1300 L1333 N1334 N1415 N1417 | I1281-K1302 HydrophobicContact CG2-CD 3.99Å; I1281-K1302 HydrophobicContact CG2-CG 3.6Å; I1282-K1302 CarbonylContact O-C 3.57Å; I1282-K1302 VanDerWaalsContact O-CA 3.32Å; I1282-K1302 WeakPolarHBondContact O-CA 3.37Å; T1283-K1302 HydrophobicContact CG2-CG 4.07Å; I1300-K1302 HydrophobicContact CG2-CG 4.17Å; K1302-L1333 HydrophobicContact CB-CB 4.26Å; K1302-L1333 HydrophobicContact CB-CD1 4.34Å; K1302-L1333 HydrophobicContact CD-CD1 4.27Å; K1302-L1333 HydrophobicContact CG-CD1 4.18Å; K1302-L1333 WeakPolarHBondContact O-CB 3.16Å; K1302-L1333 PolarHBondContact O-N 3.04Å; K1302-N1334 VanDerWaalsContact CA-OD1 3.31Å; K1302-N1334 WeakPolarHBondContact CA-OD1 3.36Å; K1302-N1334 VanDerWaalsContact CB-OD1 3.23Å; K1302-N1334 WeakPolarHBondContact CB-OD1 3.32Å; K1302-N1334 WeakPolarHBondContact CG-OD1 3.28Å; K1302-N1334 PolarHBondContact N-OD1 3.03Å; K1302-N1415 VanDerWaalsContact CE-O 3.25Å; K1302-N1415 WeakPolarHBondContact CE-O 3.4Å; K1302-N1415 PolarHBondContact NZ-O 3.05Å; K1302-N1417 WeakPolarHBondContact CE-O 3.34Å; K1302-N1417 PolarHBondContact NZ-O 3.08Å |
| 1303 | W | 95.1 | Very high | 86.7 | Confident | 4.6 Ų | 4.6 | 50.4 Ų | 50.4 | 2% | 0.017 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 139.4 | 173.6 | -59.8 | -97.9 | 0 | 0 | 0 | 110.7 | P1230 L1234 I1281 I1282 V1284 H1301 A1330 I1331 S1332 F1358 | P1230-W1303 HydrophobicContact CB-CH2 4.37Å; L1234-W1303 HydrophobicContact CD1-CD2 4.46Å; L1234-W1303 HydrophobicContact CD1-CG 4.49Å; L1234-W1303 HydrophobicContact CD2-CB 3.87Å; L1234-W1303 HydrophobicContact CD2-CD2 3.59Å; L1234-W1303 HydrophobicContact CD2-CE3 3.71Å; L1234-W1303 HydrophobicContact CD2-CG 3.66Å; L1234-W1303 HydrophobicContact CD2-CZ3 4.39Å; L1234-W1303 HydrophobicContact CG-CD2 4.35Å; L1234-W1303 HydrophobicContact CG-CE3 4.41Å; I1281-W1303 WeakPolarHBondContact CA-O 3.3Å; I1282-W1303 PolarHBondContact N-O 2.91Å; I1282-W1303 PolarHBondContact O-N 3.11Å; V1284-W1303 HydrophobicContact CB-CH2 4.37Å; V1284-W1303 HydrophobicContact CB-CZ3 3.85Å; V1284-W1303 HydrophobicContact CG2-CE3 4.4Å; V1284-W1303 HydrophobicContact CG2-CH2 4.33Å; V1284-W1303 HydrophobicContact CG2-CZ3 3.62Å; H1301-W1303 HydrophobicContact CB-CE3 4.33Å; H1301-W1303 HydrophobicContact CB-CH2 3.16Å; H1301-W1303 HydrophobicContact CB-CZ2 3.86Å; H1301-W1303 HydrophobicContact CB-CZ3 3.42Å; H1301-W1303 VanDerWaalsContact CB-CZ3 3.42Å; H1301-W1303 AromaticContact CG-CH2 3.96Å; H1301-W1303 VanDerWaalsContact O-CZ3 3.31Å; H1301-W1303 WeakPolarHBondContact O-CZ3 3.45Å; W1303-A1330 HydrophobicContact CB-CB 4.42Å; W1303-I1331 CarbonylContact C-O 3.43Å; W1303-I1331 VanDerWaalsContact CA-O 3.25Å; W1303-I1331 WeakPolarHBondContact CA-O 3.33Å; W1303-I1331 WeakPolarHBondContact CB-O 3.42Å; W1303-S1332 VanDerWaalsContact CD1-CA 3.4Å; W1303-F1358 AromaticContact CD1-CD2 4Å; W1303-F1358 AromaticContact CD1-CE2 3.68Å; W1303-F1358 AromaticContact NE1-CE2 3.42Å; W1303-F1358 AromaticContact NE1-CZ 3.98Å |
| 1304 | F | 95.5 | Very high | 86.8 | Confident | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 124.1 | 160.4 | 173.9 | -99.5 | 0 | 0 | 0 | 107.9 | L1262 A1279 F1306 A1330 I1331 L1333 M1393 I1397 L1400 L1418 | L1262-F1304 HydrophobicContact CD1-CD2 4.25Å; L1262-F1304 HydrophobicContact CD1-CE2 4.14Å; A1279-F1304 HydrophobicContact CB-CE2 3.98Å; A1279-F1304 HydrophobicContact CB-CZ 4.09Å; F1304-F1306 HydrophobicContact CE1-CB 4.26Å; F1304-F1306 HydrophobicContact CZ-CB 4.45Å; F1304-A1330 CarbonylContact O-C 3.55Å; F1304-A1330 WeakPolarHBondContact O-CA 3.35Å; F1304-I1331 PolarHBondContact N-O 3.26Å; F1304-I1331 PolarHBondContact O-N 3Å; F1304-L1333 HydrophobicContact CB-CD1 4.24Å; F1304-L1333 HydrophobicContact CB-CD2 4.07Å; F1304-L1333 HydrophobicContact CB-CG 4.33Å; F1304-M1393 HydrophobicContact CD1-SD 4.49Å; F1304-M1393 HydrophobicContact CE1-CG 3.8Å; F1304-M1393 HydrophobicContact CE1-SD 4.01Å; F1304-M1393 HydrophobicContact CZ-CG 4.44Å; F1304-I1397 HydrophobicContact CD1-CD1 4.45Å; F1304-I1397 HydrophobicContact CE1-CD1 3.72Å; F1304-I1397 HydrophobicContact CE1-CG1 4.04Å; F1304-I1397 HydrophobicContact CE2-CG1 4.38Å; F1304-I1397 HydrophobicContact CZ-CD1 3.87Å; F1304-I1397 HydrophobicContact CZ-CG1 3.64Å; F1304-L1400 HydrophobicContact CE2-CD1 4.32Å; F1304-L1418 HydrophobicContact CB-CD2 4.39Å; F1304-L1418 HydrophobicContact CD2-CD2 3.93Å; F1304-L1418 HydrophobicContact CG-CD2 4.45Å |
| 1305 | C | 96.4 | Very high | 87 | Confident | 1.8 Ų | 1.8 | 50.1 Ų | 50.1 | 1% | 0.012 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 130.7 | -179.3 | -174.4 | 0 | 0 | 0 | 0 | 109.9 | A1279 E1280 I1282 L1329 A1330 | A1279-C1305 CarbonylContact C-O 3.53Å; A1279-C1305 WeakPolarHBondContact CA-O 3.36Å; E1280-C1305 HydrophobicContact CB-CB 4.44Å; E1280-C1305 PolarHBondContact N-O 3.03Å; E1280-C1305 PolarHBondContact O-N 3.11Å; I1282-C1305 HydrophobicContact CD1-CB 3.75Å; I1282-C1305 HydrophobicContact CG1-CB 4.09Å; C1305-L1329 CarbonylContact C-O 3.56Å; C1305-L1329 VanDerWaalsContact CA-O 3.31Å; C1305-L1329 WeakPolarHBondContact CA-O 3.39Å; C1305-L1329 PolarHBondContact SG-O 2.97Å; C1305-A1330 HydrophobicContact CB-CB 4.13Å |
| 1306 | F | 96.6 | Very high | 86.5 | Confident | 0.4 Ų | 0.4 | 51.8 Ų | 51.8 | 0% | 0.002 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 131.2 | 172.6 | -178.2 | -100.3 | 0 | 0 | 0 | 109.1 | C1277 S1278 A1279 F1304 E1308 S1328 L1329 I1389 D1392 M1393 C1396 | C1277-F1306 HydrophobicContact CB-CE2 4.1Å; C1277-F1306 HydrophobicContact CB-CZ 3.81Å; S1278-F1306 WeakPolarHBondContact O-CA 3.38Å; A1279-F1306 HydrophobicContact CB-CD2 4.3Å; F1304-F1306 HydrophobicContact CE1-CB 4.26Å; F1304-F1306 HydrophobicContact CZ-CB 4.45Å; F1306-E1308 HydrophobicContact CD1-CG 4.37Å; F1306-E1308 HydrophobicContact CE1-CB 4.36Å; F1306-E1308 HydrophobicContact CE1-CG 3.59Å; F1306-E1308 VanDerWaalsContact CE1-CG 3.48Å; F1306-E1308 WeakPolarHBondContact CE1-OE1 3.38Å; F1306-E1308 HydrophobicContact CZ-CG 3.96Å; F1306-E1308 WeakPolarHBondContact CZ-OE1 3.4Å; F1306-S1328 CarbonylContact O-C 3.42Å; F1306-S1328 VanDerWaalsContact O-CA 3.28Å; F1306-S1328 WeakPolarHBondContact O-CA 3.28Å; F1306-L1329 PolarHBondContact N-O 3.19Å; F1306-L1329 PolarHBondContact O-N 3.03Å; F1306-I1389 HydrophobicContact CD1-CG2 3.95Å; F1306-I1389 HydrophobicContact CE1-CG2 3.95Å; F1306-D1392 HydrophobicContact CE1-CB 4.2Å; F1306-D1392 HydrophobicContact CZ-CB 4.16Å; F1306-M1393 HydrophobicContact CB-CB 4.02Å; F1306-M1393 HydrophobicContact CB-CG 3.63Å; F1306-M1393 HydrophobicContact CB-SD 4.06Å; F1306-M1393 HydrophobicContact CD1-CB 3.54Å; F1306-M1393 HydrophobicContact CD1-CG 4.15Å; F1306-M1393 HydrophobicContact CD2-CB 4.29Å; F1306-M1393 HydrophobicContact CD2-CG 4.4Å; F1306-M1393 HydrophobicContact CE1-CB 4Å; F1306-M1393 HydrophobicContact CG-CB 3.68Å; F1306-M1393 HydrophobicContact CG-CG 3.82Å; F1306-C1396 HydrophobicContact CD2-CB 4.14Å; F1306-C1396 HydrophobicContact CE2-CB 3.59Å; F1306-C1396 HydrophobicContact CZ-CB 4.37Å |
| 1307 | K | 95.1 | Very high | 85 | Confident | 38.4 Ų | 38.4 | 52.9 Ų | 52.9 | 17% | 0.167 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 142.9 | -179.3 | 23.8 | -177.3 | 176.9 | -174.1 | 0 | 111 | C1277 S1278 E1280 E1326 I1327 | C1277-K1307 CarbonylContact C-O 3.53Å; C1277-K1307 VanDerWaalsContact CA-O 3.28Å; C1277-K1307 WeakPolarHBondContact CA-O 3.37Å; C1277-K1307 WeakPolarHBondContact CB-O 3.25Å; S1278-K1307 PolarHBondContact N-O 3.13Å; S1278-K1307 PolarHBondContact O-N 3.3Å; S1278-K1307 WeakPolarHBondContact OG-CE 3.26Å; S1278-K1307 WeakPolarHBondContact OG-CG 3.43Å; E1280-K1307 VanDerWaalsContact CD-CE 3.48Å; E1280-K1307 VanDerWaalsContact OE1-CE 3.25Å; E1280-K1307 WeakPolarHBondContact OE1-CE 3.36Å; E1280-K1307 IonicContact OE1-NZ 3.21Å; E1280-K1307 PolarHBondContact OE1-NZ 3.01Å; E1280-K1307 VanDerWaalsContact OE2-CE 3.32Å; E1280-K1307 WeakPolarHBondContact OE2-CE 3.31Å; E1280-K1307 IonicContact OE2-NZ 3.37Å; E1280-K1307 PolarHBondContact OE2-NZ 3.14Å; K1307-E1326 HydrophobicContact CB-CG 4.29Å; K1307-E1326 WeakPolarHBondContact CD-OE1 3.36Å; K1307-I1327 VanDerWaalsContact CA-O 3.31Å; K1307-I1327 WeakPolarHBondContact CA-O 3.37Å |
| 1308 | E | 94.2 | Very high | 83.6 | Confident | 5.8 Ų | 5.8 | 55.1 Ų | 55.1 | 3% | 0.027 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 132.4 | 175.7 | -104.8 | -169.9 | 150.3 | 0 | 0 | 111 | I1275 Q1276 C1277 F1306 I1310 E1326 I1327 I1389 D1392 | I1275-E1308 HydrophobicContact CG2-CB 4.33Å; I1275-E1308 HydrophobicContact CG2-CG 3.72Å; I1275-E1308 WeakPolarHBondContact CG2-OE1 3.42Å; Q1276-E1308 WeakPolarHBondContact O-CA 3.34Å; C1277-E1308 HydrophobicContact CB-CG 4.01Å; F1306-E1308 HydrophobicContact CD1-CG 4.37Å; F1306-E1308 HydrophobicContact CE1-CB 4.36Å; F1306-E1308 HydrophobicContact CE1-CG 3.59Å; F1306-E1308 VanDerWaalsContact CE1-CG 3.48Å; F1306-E1308 WeakPolarHBondContact CE1-OE1 3.38Å; F1306-E1308 HydrophobicContact CZ-CG 3.96Å; F1306-E1308 WeakPolarHBondContact CZ-OE1 3.4Å; E1308-I1310 HydrophobicContact CB-CD1 4.32Å; E1308-I1310 HydrophobicContact CB-CG1 4.16Å; E1308-I1310 HydrophobicContact CG-CD1 4.41Å; E1308-I1310 HydrophobicContact CG-CG1 3.9Å; E1308-I1310 HydrophobicContact CG-CG2 3.93Å; E1308-I1310 WeakPolarHBondContact OE1-CG1 3.37Å; E1308-I1310 VanDerWaalsContact OE1-CG2 3.27Å; E1308-I1310 WeakPolarHBondContact OE1-CG2 3.38Å; E1308-E1326 WeakPolarHBondContact O-CA 3.28Å; E1308-I1327 PolarHBondContact N-O 3.06Å; E1308-I1327 PolarHBondContact O-N 3.24Å; E1308-I1389 HydrophobicContact CB-CG1 4.36Å; E1308-I1389 HydrophobicContact CB-CG2 4.3Å; E1308-I1389 HydrophobicContact CG-CG1 4.27Å; E1308-I1389 HydrophobicContact CG-CG2 4.23Å; E1308-I1389 WeakPolarHBondContact OE2-CG1 3.27Å; E1308-D1392 WeakPolarHBondContact OE1-CB 3.36Å; E1308-D1392 WeakPolarHBondContact OE2-CB 3.06Å |
| 1309 | I | 92 | Very high | 82.2 | Confident | 44.2 Ų | 44.2 | 58.5 Ų | 58.5 | 23% | 0.227 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 110.6 | 172.1 | -57.9 | 175 | 0 | 0 | 0 | 107.7 | I1275 Q1276 Q1324 T1325 E1326 | I1275-I1309 WeakPolarHBondContact CG2-O 3.45Å; Q1276-I1309 HydrophobicContact CB-CB 4.41Å; Q1276-I1309 HydrophobicContact CB-CD1 4.46Å; Q1276-I1309 HydrophobicContact CG-CD1 4.39Å; Q1276-I1309 PolarHBondContact O-N 3.17Å; I1309-Q1324 HydrophobicContact CG2-CB 3.92Å; I1309-Q1324 HydrophobicContact CG2-CG 4.04Å; I1309-T1325 WeakPolarHBondContact CA-O 3.22Å; I1309-E1326 HydrophobicContact CG1-CB 4.46Å; I1309-E1326 HydrophobicContact CG1-CG 4.47Å |
| 1310 | I | 88.8 | Confident | 81.1 | Confident | 14.4 Ų | 14.4 | 60.9 Ų | 60.9 | 7% | 0.074 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 130.1 | -172.5 | -40.3 | 174.4 | 0 | 0 | 0 | 109.4 | I1275 E1308 Q1324 T1325 I1327 W1381 K1385 I1389 | I1275-I1310 HydrophobicContact CG2-CG1 4.43Å; E1308-I1310 HydrophobicContact CB-CD1 4.32Å; E1308-I1310 HydrophobicContact CB-CG1 4.16Å; E1308-I1310 HydrophobicContact CG-CD1 4.41Å; E1308-I1310 HydrophobicContact CG-CG1 3.9Å; E1308-I1310 HydrophobicContact CG-CG2 3.93Å; E1308-I1310 WeakPolarHBondContact OE1-CG1 3.37Å; E1308-I1310 VanDerWaalsContact OE1-CG2 3.27Å; E1308-I1310 WeakPolarHBondContact OE1-CG2 3.38Å; I1310-Q1324 CarbonylContact O-C 3.56Å; I1310-Q1324 VanDerWaalsContact O-CA 3.3Å; I1310-Q1324 WeakPolarHBondContact O-CA 3.42Å; I1310-T1325 HydrophobicContact CD1-CG2 3.81Å; I1310-T1325 HydrophobicContact CG1-CG2 3.51Å; I1310-T1325 VanDerWaalsContact CG1-O 3.3Å; I1310-T1325 WeakPolarHBondContact CG1-O 3.32Å; I1310-T1325 PolarHBondContact N-O 3.16Å; I1310-T1325 PolarHBondContact O-N 3.12Å; I1310-I1327 HydrophobicContact CD1-CD1 4.21Å; I1310-I1327 HydrophobicContact CD1-CG1 4.37Å; I1310-W1381 HydrophobicContact CD1-CH2 3.68Å; I1310-W1381 HydrophobicContact CD1-CZ3 3.92Å; I1310-W1381 HydrophobicContact CG1-CH2 4.3Å; I1310-W1381 HydrophobicContact CG2-CH2 4.31Å; I1310-K1385 HydrophobicContact CD1-CB 4.24Å; I1310-K1385 HydrophobicContact CD1-CG 4.2Å; I1310-I1389 HydrophobicContact CD1-CD1 3.7Å; I1310-I1389 HydrophobicContact CD1-CG1 4.04Å |
| 1311 | P | 86.3 | Confident | 80.3 | Confident | 53.2 Ų | 53.2 | 59.9 Ų | 59.9 | 35% | 0.345 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.2 | 139.9 | 173.2 | 28.3 | -33.3 | 0 | 0 | 0 | 110.8 | V1273 D1313 | V1273-P1311 HydrophobicContact CG1-CG 3.71Å; V1273-P1311 VanDerWaalsContact CG1-CG 3.45Å; P1311-D1313 PolarHBondContact O-N 3.1Å |
| 1312 | V | 83.8 | Confident | 79.6 | Confident | 29.2 Ų | 29.2 | 58.9 Ų | 58.9 | 18% | 0.177 | 30% | 0.299 | C | S | . | . | trans | -88.6 | 101.6 | -177.4 | 179.8 | 0 | 0 | 0 | 0 | 109.6 | F1314 L1321 P1322 S1323 T1325 W1378 W1381 | V1312-F1314 VanDerWaalsContact C-N 3.32Å; V1312-F1314 HydrophobicContact CG1-CB 3.68Å; V1312-F1314 VanDerWaalsContact CG1-CB 3.49Å; V1312-F1314 PolarHBondContact O-N 3.34Å; V1312-L1321 HydrophobicContact CG1-CB 4.42Å; V1312-L1321 HydrophobicContact CG1-CD2 4Å; V1312-P1322 VanDerWaalsContact CB-O 3.26Å; V1312-P1322 WeakPolarHBondContact CB-O 3.41Å; V1312-P1322 HydrophobicContact CG2-CG 4.32Å; V1312-P1322 VanDerWaalsContact CG2-O 3.29Å; V1312-P1322 WeakPolarHBondContact CG2-O 3.36Å; V1312-S1323 PolarHBondContact N-O 2.98Å; V1312-S1323 VanDerWaalsContact N-O 3.09Å; V1312-T1325 HydrophobicContact CG2-CG2 4.18Å; V1312-W1378 HydrophobicContact CG1-CH2 4.32Å; V1312-W1378 HydrophobicContact CG1-CZ3 3.83Å; V1312-W1378 HydrophobicContact CG2-CH2 3.82Å; V1312-W1378 HydrophobicContact CG2-CZ3 4.05Å; V1312-W1381 HydrophobicContact CB-CH2 4.48Å; V1312-W1381 HydrophobicContact CG1-CH2 4.5Å; V1312-W1381 HydrophobicContact CG2-CH2 4.21Å; V1312-W1381 HydrophobicContact CG2-CZ3 4.48Å | ||
| 1313 | D | 75.3 | Confident | 79 | Confident | 115.2 Ų | 115.2 | 62 Ų | 62 | 62% | 0.616 | 32% | 0.323 | S | S | * | . | trans | -92.9 | 22 | 170.3 | 108.6 | 4.3 | 0 | 0 | 0 | 112.2 | P1311 K1315 W1381 K1385 | P1311-D1313 PolarHBondContact O-N 3.1Å; D1313-K1315 PolarHBondContact O-N 3.38Å; D1313-K1315 WeakPolarHBondContact OD1-CE 3.38Å; D1313-K1315 IonicContact OD1-NZ 3.36Å; D1313-K1315 PolarHBondContact OD1-NZ 2.86Å; D1313-K1315 IonicContact OD2-NZ 2.72Å; D1313-K1315 PolarHBondContact OD2-NZ 2.93Å; D1313-W1381 VanDerWaalsContact OD1-CZ2 3.29Å; D1313-W1381 WeakPolarHBondContact OD1-CZ2 3.32Å; D1313-W1381 PolarHBondContact OD1-NE1 3.22Å; D1313-W1381 VanDerWaalsContact OD1-NE1 3.11Å; D1313-K1385 IonicContact OD1-NZ 2.73Å | ||
| 1314 | F | 69.1 | Low | 78.6 | Confident | 44 Ų | 44 | 66.5 Ų | 66.5 | 19% | 0.193 | 34% | 0.344 | C | S | . | . | trans | -81.5 | 112.8 | -176.3 | -171.1 | -114.5 | 0 | 0 | 0 | 110.6 | V1312 E1316 L1321 A1377 W1378 W1381 | V1312-F1314 VanDerWaalsContact C-N 3.32Å; V1312-F1314 HydrophobicContact CG1-CB 3.68Å; V1312-F1314 VanDerWaalsContact CG1-CB 3.49Å; V1312-F1314 PolarHBondContact O-N 3.34Å; F1314-E1316 HydrophobicContact CD1-CB 4.1Å; F1314-E1316 HydrophobicContact CD1-CG 4.41Å; F1314-E1316 HydrophobicContact CE1-CB 3.63Å; F1314-E1316 VanDerWaalsContact CE1-CB 3.43Å; F1314-E1316 HydrophobicContact CE1-CG 4.06Å; F1314-E1316 WeakPolarHBondContact CE1-OE2 3.17Å; F1314-E1316 HydrophobicContact CE2-CG 4.37Å; F1314-E1316 HydrophobicContact CZ-CB 4.06Å; F1314-E1316 HydrophobicContact CZ-CG 4.2Å; F1314-E1316 WeakPolarHBondContact CZ-OE2 3.4Å; F1314-E1316 PolarHBondContact O-N 3.01Å; F1314-E1316 VanDerWaalsContact O-N 3.16Å; F1314-L1321 HydrophobicContact CB-CD2 4.21Å; F1314-L1321 HydrophobicContact CD1-CD1 3.82Å; F1314-L1321 HydrophobicContact CD1-CD2 3.91Å; F1314-L1321 HydrophobicContact CD1-CG 4.41Å; F1314-L1321 HydrophobicContact CE1-CD1 4.34Å; F1314-L1321 HydrophobicContact CE1-CD2 4.26Å; F1314-L1321 HydrophobicContact CG-CD2 4.17Å; F1314-L1321 WeakPolarHBondContact O-CD2 3.47Å; F1314-A1377 HydrophobicContact CE2-CB 4.39Å; F1314-A1377 HydrophobicContact CZ-CB 3.91Å; F1314-W1378 HydrophobicContact CB-CZ3 4.44Å; F1314-W1378 AromaticContact CD1-CE3 3.8Å; F1314-W1378 HydrophobicContact CD1-CE3 4.07Å; F1314-W1378 HydrophobicContact CD1-CZ3 4.43Å; F1314-W1378 HydrophobicContact CE1-CB 4.36Å; F1314-W1378 HydrophobicContact CE1-CE3 4.34Å; F1314-W1378 HydrophobicContact CG-CE3 4.49Å; F1314-W1381 HydrophobicContact CB-CD2 4.3Å; F1314-W1381 HydrophobicContact CB-CG 4.31Å; F1314-W1381 HydrophobicContact CB-CZ2 4.47Å; F1314-W1381 HydrophobicContact CD2-CB 4.13Å; F1314-W1381 AromaticContact CD2-CD1 3.64Å; F1314-W1381 HydrophobicContact CD2-CD2 4.31Å; F1314-W1381 AromaticContact CD2-CG 3.77Å; F1314-W1381 HydrophobicContact CD2-CG 3.86Å; F1314-W1381 AromaticContact CD2-NE1 3.92Å; F1314-W1381 HydrophobicContact CE2-CB 3.97Å; F1314-W1381 AromaticContact CE2-CD1 3.85Å; F1314-W1381 AromaticContact CE2-CG 3.82Å; F1314-W1381 HydrophobicContact CE2-CG 4.02Å; F1314-W1381 HydrophobicContact CG-CG 4.28Å | ||
| 1315 | K | 64.8 | Low | 78.4 | Confident | 194.6 Ų | 194.6 | 66.8 Ų | 66.8 | 85% | 0.846 | 35% | 0.346 | S | S | * | . | trans | -88.6 | 48.4 | -173.1 | -66 | -178 | -179.8 | 171.7 | 0 | 113.2 | D1313 | D1313-K1315 PolarHBondContact O-N 3.38Å; D1313-K1315 WeakPolarHBondContact OD1-CE 3.38Å; D1313-K1315 IonicContact OD1-NZ 3.36Å; D1313-K1315 PolarHBondContact OD1-NZ 2.86Å; D1313-K1315 IonicContact OD2-NZ 2.72Å; D1313-K1315 PolarHBondContact OD2-NZ 2.93Å | ||
| 1316 | E | 60.7 | Low | 78.2 | Confident | 83 Ų | 83 | 69.2 Ų | 69.2 | 39% | 0.388 | 36% | 0.358 | S | S | . | . | trans | -94.6 | 137.1 | 173 | -126.1 | 177.2 | -164.7 | 0 | 0 | 110.5 | F1314 N1318 L1321 A1377 | F1314-E1316 HydrophobicContact CD1-CB 4.1Å; F1314-E1316 HydrophobicContact CD1-CG 4.41Å; F1314-E1316 HydrophobicContact CE1-CB 3.63Å; F1314-E1316 VanDerWaalsContact CE1-CB 3.43Å; F1314-E1316 HydrophobicContact CE1-CG 4.06Å; F1314-E1316 WeakPolarHBondContact CE1-OE2 3.17Å; F1314-E1316 HydrophobicContact CE2-CG 4.37Å; F1314-E1316 HydrophobicContact CZ-CB 4.06Å; F1314-E1316 HydrophobicContact CZ-CG 4.2Å; F1314-E1316 WeakPolarHBondContact CZ-OE2 3.4Å; F1314-E1316 PolarHBondContact O-N 3.01Å; F1314-E1316 VanDerWaalsContact O-N 3.16Å; E1316-N1318 PolarHBondContact O-N 3.19Å; E1316-L1321 HydrophobicContact CB-CD1 4.26Å; E1316-L1321 HydrophobicContact CB-CD2 4.45Å; E1316-A1377 WeakPolarHBondContact OE1-CB 3.38Å | ||
| 1317 | T | 51.8 | Low | 78.1 | Confident | 139.2 Ų | 139.2 | 69.2 Ų | 69.2 | 85% | 0.854 | 36% | 0.357 | S | S | * | . | trans | -72 | 3.8 | -170 | 49.9 | 0 | 0 | 0 | 0 | 115 | K1319 | T1317-K1319 PolarHBondContact O-N 3.23Š| ||
| 1318 | N | 55.1 | Low | 78.2 | Confident | 124.2 Ų | 124.2 | 67.4 Ų | 67.4 | 66% | 0.664 | 35% | 0.35 | S | S | * | . | trans | -99.4 | 78.8 | -171.6 | -87.8 | -23.2 | 0 | 0 | 0 | 113.3 | E1316 N1320 L1321 | E1316-N1318 PolarHBondContact O-N 3.19Å; N1318-N1320 PolarHBondContact O-N 2.95Å; N1318-L1321 HydrophobicContact CB-CD1 3.87Å; N1318-L1321 HydrophobicContact CB-CG 4.44Å; N1318-L1321 PolarHBondContact O-N 3Å | ||
| 1319 | K | 58.6 | Low | 78.4 | Confident | 163 Ų | 163 | 67.2 Ų | 67.2 | 71% | 0.709 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.9 | 36.6 | -178.7 | -69.9 | -177.7 | 176.8 | 177.8 | 0 | 114.5 | T1317 L1321 D1364 | T1317-K1319 PolarHBondContact O-N 3.23Å; K1319-L1321 VanDerWaalsContact C-N 3.31Å; K1319-L1321 HydrophobicContact CB-CD1 3.52Å; K1319-L1321 HydrophobicContact CB-CG 4.44Å; K1319-L1321 WeakPolarHBondContact O-CD1 3.48Å; K1319-L1321 PolarHBondContact O-N 3.22Å; K1319-D1364 IonicContact NZ-OD2 3.72Å; K1319-D1364 PolarHBondContact NZ-OD2 3.22Å |
| 1320 | N | 67.3 | Low | 78.6 | Confident | 102.4 Ų | 102.4 | 65.1 Ų | 65.1 | 55% | 0.548 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.2 | 42.9 | -179.4 | -66.2 | -7.5 | 0 | 0 | 0 | 111.9 | R1117 N1318 | R1117-N1320 WeakPolarHBondContact CD-O 3.46Å; R1117-N1320 PolarHBondContact NE-O 3.19Å; R1117-N1320 PolarHBondContact NH1-O 3.23Å; R1117-N1320 VanDerWaalsContact NH1-O 3.13Å; N1318-N1320 PolarHBondContact O-N 2.95Å |
| 1321 | L | 73.8 | Confident | 78.9 | Confident | 44.8 Ų | 44.8 | 64.4 Ų | 64.4 | 24% | 0.235 | 33% | 0.334 | C | S | . | . | trans | -78.6 | 142.9 | 173.8 | -79.1 | 138.1 | 0 | 0 | 0 | 110.2 | V1312 F1314 E1316 N1318 K1319 W1378 | V1312-L1321 HydrophobicContact CG1-CB 4.42Å; V1312-L1321 HydrophobicContact CG1-CD2 4Å; F1314-L1321 HydrophobicContact CB-CD2 4.21Å; F1314-L1321 HydrophobicContact CD1-CD1 3.82Å; F1314-L1321 HydrophobicContact CD1-CD2 3.91Å; F1314-L1321 HydrophobicContact CD1-CG 4.41Å; F1314-L1321 HydrophobicContact CE1-CD1 4.34Å; F1314-L1321 HydrophobicContact CE1-CD2 4.26Å; F1314-L1321 HydrophobicContact CG-CD2 4.17Å; F1314-L1321 WeakPolarHBondContact O-CD2 3.47Å; E1316-L1321 HydrophobicContact CB-CD1 4.26Å; E1316-L1321 HydrophobicContact CB-CD2 4.45Å; N1318-L1321 HydrophobicContact CB-CD1 3.87Å; N1318-L1321 HydrophobicContact CB-CG 4.44Å; N1318-L1321 PolarHBondContact O-N 3Å; K1319-L1321 VanDerWaalsContact C-N 3.31Å; K1319-L1321 HydrophobicContact CB-CD1 3.52Å; K1319-L1321 HydrophobicContact CB-CG 4.44Å; K1319-L1321 WeakPolarHBondContact O-CD1 3.48Å; K1319-L1321 PolarHBondContact O-N 3.22Å; L1321-W1378 HydrophobicContact CD2-CD2 3.92Å; L1321-W1378 HydrophobicContact CD2-CE3 3.41Å; L1321-W1378 VanDerWaalsContact CD2-CE3 3.43Å; L1321-W1378 HydrophobicContact CD2-CG 4.39Å; L1321-W1378 HydrophobicContact CD2-CH2 4.44Å; L1321-W1378 HydrophobicContact CD2-CZ3 3.78Å | ||
| 1322 | P | 78.7 | Confident | 79.2 | Confident | 10.8 Ų | 10.8 | 62.1 Ų | 62.1 | 7% | 0.07 | 32% | 0.319 | C | S | . | . | trans | -74.4 | 156.7 | 176.7 | 33.7 | -31.1 | 0 | 0 | 0 | 110 | R1117 D1118 V1312 Q1324 W1378 | R1117-P1322 HydrophobicContact CB-CB 4.42Å; R1117-P1322 HydrophobicContact CG-CB 4.44Å; D1118-P1322 WeakPolarHBondContact OD1-CB 3.37Å; V1312-P1322 VanDerWaalsContact CB-O 3.26Å; V1312-P1322 WeakPolarHBondContact CB-O 3.41Å; V1312-P1322 HydrophobicContact CG2-CG 4.32Å; V1312-P1322 VanDerWaalsContact CG2-O 3.29Å; V1312-P1322 WeakPolarHBondContact CG2-O 3.36Å; P1322-Q1324 VanDerWaalsContact C-N 3.29Å; P1322-Q1324 WeakPolarHBondContact CB-O 3.39Å; P1322-Q1324 PolarHBondContact O-N 3.3Å; P1322-W1378 HydrophobicContact CG-CH2 4.05Å; P1322-W1378 HydrophobicContact CG-CZ2 4.13Å | ||
| 1323 | S | 80.4 | Confident | 79.5 | Confident | 87.8 Ų | 87.8 | 60.9 Ų | 60.9 | 61% | 0.614 | 31% | 0.312 | S | S | * | . | S | Bend | trans | -72 | -28.6 | 177.7 | 61.5 | 0 | 0 | 0 | 0 | 112.7 | V1312 | V1312-S1323 PolarHBondContact N-O 2.98Å; V1312-S1323 VanDerWaalsContact N-O 3.09Å |
| 1324 | Q | 86.4 | Confident | 79.9 | Confident | 99.2 Ų | 99.2 | 58.8 Ų | 58.8 | 46% | 0.464 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 153.8 | 177.2 | 21.4 | -173.7 | 0.8 | 0 | 0 | 108.8 | I1309 I1310 P1322 | I1309-Q1324 HydrophobicContact CG2-CB 3.92Å; I1309-Q1324 HydrophobicContact CG2-CG 4.04Å; I1310-Q1324 CarbonylContact O-C 3.56Å; I1310-Q1324 VanDerWaalsContact O-CA 3.3Å; I1310-Q1324 WeakPolarHBondContact O-CA 3.42Å; P1322-Q1324 VanDerWaalsContact C-N 3.29Å; P1322-Q1324 WeakPolarHBondContact CB-O 3.39Å; P1322-Q1324 PolarHBondContact O-N 3.3Å |
| 1325 | T | 90.4 | Very high | 80.6 | Confident | 6.4 Ų | 6.4 | 60 Ų | 60 | 4% | 0.039 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 148.6 | 174.4 | -172.5 | 0 | 0 | 0 | 0 | 110.5 | I1309 I1310 V1312 D1362 W1378 W1381 L1382 | I1309-T1325 WeakPolarHBondContact CA-O 3.22Å; I1310-T1325 HydrophobicContact CD1-CG2 3.81Å; I1310-T1325 HydrophobicContact CG1-CG2 3.51Å; I1310-T1325 VanDerWaalsContact CG1-O 3.3Å; I1310-T1325 WeakPolarHBondContact CG1-O 3.32Å; I1310-T1325 PolarHBondContact N-O 3.16Å; I1310-T1325 PolarHBondContact O-N 3.12Å; V1312-T1325 HydrophobicContact CG2-CG2 4.18Å; T1325-D1362 PolarHBondContact OG1-OD1 3Å; T1325-W1378 HydrophobicContact CG2-CH2 3.88Å; T1325-W1378 HydrophobicContact CG2-CZ2 4.31Å; T1325-W1381 HydrophobicContact CG2-CH2 4.24Å; T1325-W1381 HydrophobicContact CG2-CZ3 3.86Å; T1325-L1382 HydrophobicContact CG2-CD2 3.85Å |
| 1326 | E | 92.5 | Very high | 81.2 | Confident | 53.8 Ų | 53.8 | 55.3 Ų | 55.3 | 25% | 0.251 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 134.2 | 172.1 | -172.3 | -176.7 | 120.1 | 0 | 0 | 109.6 | K1307 E1308 I1309 S1328 | K1307-E1326 HydrophobicContact CB-CG 4.29Å; K1307-E1326 WeakPolarHBondContact CD-OE1 3.36Å; E1308-E1326 WeakPolarHBondContact O-CA 3.28Å; I1309-E1326 HydrophobicContact CG1-CB 4.46Å; I1309-E1326 HydrophobicContact CG1-CG 4.47Å; E1326-S1328 PolarHBondContact OE1-OG 3.01Å; E1326-S1328 VanDerWaalsContact OE1-OG 3.06Å |
| 1327 | I | 95.7 | Very high | 81.8 | Confident | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 132.7 | 164.1 | -60.1 | 178.4 | 0 | 0 | 0 | 107.6 | K1307 E1308 I1310 N1360 A1361 L1382 K1385 I1386 I1389 | K1307-I1327 VanDerWaalsContact CA-O 3.31Å; K1307-I1327 WeakPolarHBondContact CA-O 3.37Å; E1308-I1327 PolarHBondContact N-O 3.06Å; E1308-I1327 PolarHBondContact O-N 3.24Å; I1310-I1327 HydrophobicContact CD1-CD1 4.21Å; I1310-I1327 HydrophobicContact CD1-CG1 4.37Å; I1327-N1360 CarbonylContact C-O 3.56Å; I1327-N1360 WeakPolarHBondContact CA-O 3.34Å; I1327-N1360 WeakPolarHBondContact CG2-O 3.49Å; I1327-A1361 HydrophobicContact CB-CB 4.49Å; I1327-A1361 HydrophobicContact CD1-CB 4.45Å; I1327-A1361 HydrophobicContact CG1-CB 3.93Å; I1327-A1361 HydrophobicContact CG2-CB 4.43Å; I1327-L1382 HydrophobicContact CD1-CB 4.42Å; I1327-L1382 HydrophobicContact CD1-CD2 3.8Å; I1327-L1382 HydrophobicContact CG1-CD2 4.13Å; I1327-K1385 HydrophobicContact CD1-CB 3.95Å; I1327-K1385 HydrophobicContact CD1-CG 4.47Å; I1327-I1386 HydrophobicContact CG2-CG1 4.39Å; I1327-I1389 HydrophobicContact CB-CD1 3.51Å; I1327-I1389 VanDerWaalsContact CB-CD1 3.46Å; I1327-I1389 HydrophobicContact CD1-CD1 3.67Å; I1327-I1389 HydrophobicContact CG1-CD1 4.12Å; I1327-I1389 HydrophobicContact CG2-CD1 3.47Å; I1327-I1389 VanDerWaalsContact CG2-CD1 3.46Å |
| 1328 | S | 96.7 | Very high | 82.9 | Confident | 0.2 Ų | 0.2 | 49 Ų | 49 | 0% | 0.001 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 139.3 | -175.9 | -17.1 | 0 | 0 | 0 | 0 | 110.6 | F1306 E1326 N1360 | F1306-S1328 CarbonylContact O-C 3.42Å; F1306-S1328 VanDerWaalsContact O-CA 3.28Å; F1306-S1328 WeakPolarHBondContact O-CA 3.28Å; E1326-S1328 PolarHBondContact OE1-OG 3.01Å; E1326-S1328 VanDerWaalsContact OE1-OG 3.06Å; S1328-N1360 PolarHBondContact N-O 3.11Å; S1328-N1360 PolarHBondContact O-N 3.21Å; S1328-N1360 PolarHBondContact OG-ND2 3.03Å; S1328-N1360 VanDerWaalsContact OG-ND2 3.13Å |
| 1329 | L | 97.4 | Very high | 84.2 | Confident | 1 Ų | 1 | 43.3 Ų | 43.3 | 1% | 0.005 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 137.1 | 172.6 | -58.2 | 178.8 | 0 | 0 | 0 | 108.7 | C1305 F1306 F1357 F1358 I1359 I1386 I1389 F1390 M1393 | C1305-L1329 CarbonylContact C-O 3.56Å; C1305-L1329 VanDerWaalsContact CA-O 3.31Å; C1305-L1329 WeakPolarHBondContact CA-O 3.39Å; C1305-L1329 PolarHBondContact SG-O 2.97Å; F1306-L1329 PolarHBondContact N-O 3.19Å; F1306-L1329 PolarHBondContact O-N 3.03Å; L1329-F1357 HydrophobicContact CD2-CD2 4.25Å; L1329-F1357 HydrophobicContact CD2-CE2 4.09Å; L1329-F1358 CarbonylContact C-O 3.57Å; L1329-F1358 VanDerWaalsContact CA-O 3.3Å; L1329-F1358 WeakPolarHBondContact CA-O 3.36Å; L1329-I1359 HydrophobicContact CD2-CB 4.46Å; L1329-I1359 HydrophobicContact CD2-CG1 4.02Å; L1329-I1359 HydrophobicContact CD2-CG2 4.48Å; L1329-I1386 HydrophobicContact CD2-CG2 4.27Å; L1329-I1389 HydrophobicContact CD1-CB 4.49Å; L1329-I1389 HydrophobicContact CD1-CG2 3.96Å; L1329-I1389 HydrophobicContact CG-CG2 4.2Å; L1329-F1390 HydrophobicContact CD1-CB 3.95Å; L1329-F1390 HydrophobicContact CD1-CD2 3.7Å; L1329-F1390 HydrophobicContact CD1-CE2 4.48Å; L1329-F1390 HydrophobicContact CD1-CG 4.11Å; L1329-M1393 HydrophobicContact CB-SD 4.28Å; L1329-M1393 HydrophobicContact CD1-CE 4.49Å; L1329-M1393 HydrophobicContact CD1-SD 4.39Å |
| 1330 | A | 96.8 | Very high | 85.3 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 144.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | L1234 F1235 W1303 F1304 C1305 F1357 F1358 | L1234-A1330 HydrophobicContact CD2-CB 4.44Å; F1235-A1330 HydrophobicContact CE1-CB 4.35Å; F1235-A1330 HydrophobicContact CZ-CB 3.91Å; W1303-A1330 HydrophobicContact CB-CB 4.42Å; F1304-A1330 CarbonylContact O-C 3.55Å; F1304-A1330 WeakPolarHBondContact O-CA 3.35Å; C1305-A1330 HydrophobicContact CB-CB 4.13Å; A1330-F1357 CarbonylContact O-C 3.57Å; A1330-F1357 WeakPolarHBondContact O-CA 3.36Å; A1330-F1357 WeakPolarHBondContact O-CB 3.16Å; A1330-F1358 HydrophobicContact CB-CB 4.07Å; A1330-F1358 HydrophobicContact CB-CD2 4.34Å; A1330-F1358 PolarHBondContact N-O 3.12Å; A1330-F1358 WeakPolarHBondContact O-CD2 3.38Å; A1330-F1358 PolarHBondContact O-N 3Å |
| 1331 | I | 94.6 | Very high | 86.3 | Confident | 1 Ų | 1 | 39.2 Ų | 39.2 | 1% | 0.005 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 129.5 | -177.3 | -64.4 | 172.2 | 0 | 0 | 0 | 108.5 | W1303 F1304 F1357 M1393 R1428 I1429 C1432 | W1303-I1331 CarbonylContact C-O 3.43Å; W1303-I1331 VanDerWaalsContact CA-O 3.25Å; W1303-I1331 WeakPolarHBondContact CA-O 3.33Å; W1303-I1331 WeakPolarHBondContact CB-O 3.42Å; F1304-I1331 PolarHBondContact N-O 3.26Å; F1304-I1331 PolarHBondContact O-N 3Å; I1331-F1357 HydrophobicContact CG1-CB 4.05Å; I1331-M1393 HydrophobicContact CD1-CE 4.01Å; I1331-M1393 HydrophobicContact CD1-SD 4.29Å; I1331-R1428 HydrophobicContact CG2-CG 4.07Å; I1331-I1429 HydrophobicContact CD1-CB 4.43Å; I1331-I1429 HydrophobicContact CD1-CD1 4.45Å; I1331-I1429 HydrophobicContact CD1-CG1 3.56Å; I1331-C1432 VanDerWaalsContact CG2-SG 3.6Å; I1331-C1432 WeakPolarHBondContact CG2-SG 2.94Å |
| 1332 | S | 93.1 | Very high | 87 | Confident | 4.2 Ų | 4.2 | 37.8 Ų | 37.8 | 3% | 0.029 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 131.6 | 177.4 | -175.9 | 0 | 0 | 0 | 0 | 111.2 | W1303 D1335 R1428 | W1303-S1332 VanDerWaalsContact CD1-CA 3.4Å; S1332-D1335 WeakPolarHBondContact CB-OD2 3.39Å; S1332-D1335 WeakPolarHBondContact OG-CB 3.3Å; S1332-D1335 PolarHBondContact OG-N 3.29Å; S1332-D1335 PolarHBondContact OG-OD1 2.88Å; S1332-D1335 PolarHBondContact OG-OD2 3.08Å; S1332-R1428 VanDerWaalsContact O-CZ 3.3Å; S1332-R1428 PolarHBondContact O-NE 3.19Å; S1332-R1428 PolarHBondContact O-NH2 2.85Å |
| 1333 | L | 90.1 | Very high | 87.6 | Confident | 3.8 Ų | 3.8 | 38.4 Ų | 38.4 | 2% | 0.02 | 22% | 0.221 | C | C | . | . | S | Bend | trans | -97.8 | -18.8 | 178.7 | -59.4 | 178.9 | 0 | 0 | 0 | 112.3 | K1302 F1304 L1418 Y1420 L1425 | K1302-L1333 HydrophobicContact CB-CB 4.26Å; K1302-L1333 HydrophobicContact CB-CD1 4.34Å; K1302-L1333 HydrophobicContact CD-CD1 4.27Å; K1302-L1333 HydrophobicContact CG-CD1 4.18Å; K1302-L1333 WeakPolarHBondContact O-CB 3.16Å; K1302-L1333 PolarHBondContact O-N 3.04Å; F1304-L1333 HydrophobicContact CB-CD1 4.24Å; F1304-L1333 HydrophobicContact CB-CD2 4.07Å; F1304-L1333 HydrophobicContact CB-CG 4.33Å; L1333-L1418 HydrophobicContact CD1-CD2 3.95Å; L1333-Y1420 HydrophobicContact CB-CE2 3.95Å; L1333-Y1420 HydrophobicContact CD2-CD2 4.17Å; L1333-Y1420 HydrophobicContact CD2-CE2 3.99Å; L1333-Y1420 HydrophobicContact CG-CE2 4.49Å; L1333-Y1420 VanDerWaalsContact O-CE2 3.27Å; L1333-Y1420 WeakPolarHBondContact O-CE2 3.34Å; L1333-Y1420 PolarHBondContact O-OH 3.2Å; L1333-L1425 HydrophobicContact CD2-CD1 3.86Å |
| 1334 | N | 84.6 | Confident | 88.2 | Confident | 71.4 Ų | 71.4 | 34.4 Ų | 34.4 | 38% | 0.382 | 19% | 0.193 | S | C | . | . | S | Bend | trans | -106.1 | -20.5 | -173.3 | -68.9 | 52.5 | 0 | 0 | 0 | 113.9 | I1300 K1302 | I1300-N1334 PolarHBondContact O-ND2 3.03Å; K1302-N1334 VanDerWaalsContact CA-OD1 3.31Å; K1302-N1334 WeakPolarHBondContact CA-OD1 3.36Å; K1302-N1334 VanDerWaalsContact CB-OD1 3.23Å; K1302-N1334 WeakPolarHBondContact CB-OD1 3.32Å; K1302-N1334 WeakPolarHBondContact CG-OD1 3.28Å; K1302-N1334 PolarHBondContact N-OD1 3.03Å |
| 1335 | D | 83 | Confident | 88.6 | Confident | 68.6 Ų | 68.6 | 29.7 Ų | 29.7 | 37% | 0.367 | 17% | 0.171 | S | C | . | . | S | Bend | trans | -67.1 | 145.8 | -178.6 | -65.2 | -25.8 | 0 | 0 | 0 | 111.6 | S1332 L1339 R1428 | S1332-D1335 WeakPolarHBondContact CB-OD2 3.39Å; S1332-D1335 WeakPolarHBondContact OG-CB 3.3Å; S1332-D1335 PolarHBondContact OG-N 3.29Å; S1332-D1335 PolarHBondContact OG-OD1 2.88Å; S1332-D1335 PolarHBondContact OG-OD2 3.08Å; D1335-L1339 HydrophobicContact CB-CD2 3.64Å; D1335-R1428 VanDerWaalsContact O-CZ 3.25Å; D1335-R1428 PolarHBondContact O-NH1 3.19Å; D1335-R1428 PolarHBondContact O-NH2 2.92Å |
| 1336 | S | 77.3 | Confident | 88.7 | Confident | 96.2 Ų | 96.2 | 29.9 Ų | 29.9 | 67% | 0.673 | 17% | 0.173 | S | C | * | . | P | Polyproline II helix | trans | -71 | 142.1 | 175 | -17.4 | 0 | 0 | 0 | 0 | 111.3 | P1338 | S1336-P1338 CarbonylContact O-C 3.39Š|
| 1337 | D | 72.4 | Confident | 88.7 | Confident | 37.4 Ų | 37.4 | 28 Ų | 28 | 20% | 0.2 | 16% | 0.163 | C | C | . | . | S | Bend | trans | -74.2 | 145.1 | 167.9 | -83.1 | -56.6 | 0 | 0 | 0 | 110.9 | L1339 R1428 S1431 I1617 R1621 | D1337-L1339 PolarHBondContact OD1-N 2.93Å; D1337-L1339 VanDerWaalsContact OD1-N 3.1Å; D1337-R1428 IonicContact OD1-NH1 3.19Å; D1337-R1428 PolarHBondContact OD1-NH1 3.13Å; D1337-R1428 VanDerWaalsContact OD1-NH1 3.11Å; D1337-R1428 IonicContact OD2-CZ 3.23Å; D1337-R1428 IonicContact OD2-NE 3.94Å; D1337-R1428 IonicContact OD2-NH1 2.99Å; D1337-R1428 PolarHBondContact OD2-NH1 2.94Å; D1337-S1431 WeakPolarHBondContact OD1-CB 3.48Å; D1337-S1431 PolarHBondContact OD1-OG 3.39Å; D1337-S1431 PolarHBondContact OD2-OG 3.34Å; D1337-I1617 HydrophobicContact CB-CD1 3.99Å; D1337-I1617 HydrophobicContact CB-CG1 3.79Å; D1337-I1617 HydrophobicContact CB-CG2 4.37Å; D1337-R1621 IonicContact OD2-NH2 3.54Å |
| 1338 | P | 75.3 | Confident | 88.5 | Confident | 52.8 Ų | 52.8 | 28.7 Ų | 28.7 | 34% | 0.343 | 17% | 0.167 | S | C | . | . | S | Bend | cis | -74.1 | 134.7 | -2.4 | 30.4 | -33.9 | 0 | 0 | 0 | 112.6 | S1336 Q1340 | S1336-P1338 CarbonylContact O-C 3.39Å; P1338-Q1340 PolarHBondContact O-N 3.27Å; P1338-Q1340 PolarHBondContact O-NE2 3.24Å; P1338-Q1340 VanDerWaalsContact O-NE2 3.11Å |
| 1339 | L | 82.2 | Confident | 88.2 | Confident | 4.2 Ų | 4.2 | 30.3 Ų | 30.3 | 2% | 0.022 | 18% | 0.177 | C | C | . | . | P | Polyproline II helix | trans | -56 | 140.4 | 175.4 | -75.5 | 172.9 | 0 | 0 | 0 | 112.5 | D1335 D1337 R1356 R1428 C1432 | D1335-L1339 HydrophobicContact CB-CD2 3.64Å; D1337-L1339 PolarHBondContact OD1-N 2.93Å; D1337-L1339 VanDerWaalsContact OD1-N 3.1Å; L1339-R1356 HydrophobicContact CB-CB 4.03Å; L1339-R1356 HydrophobicContact CB-CG 4.29Å; L1339-R1356 VanDerWaalsContact O-CD 3.31Å; L1339-R1356 WeakPolarHBondContact O-CD 3.34Å; L1339-R1356 WeakPolarHBondContact O-CG 3.35Å; L1339-R1356 PolarHBondContact O-NE 3.29Å; L1339-R1428 VanDerWaalsContact CD2-CZ 3.45Å; L1339-R1428 VanDerWaalsContact CD2-NH2 3.29Å; L1339-C1432 HydrophobicContact CD1-CB 4.41Å; L1339-C1432 WeakPolarHBondContact CD1-SG 3.39Å |
| 1340 | Q | 82.9 | Confident | 87.9 | Confident | 131.6 Ų | 131.6 | 31.2 Ų | 31.2 | 62% | 0.615 | 18% | 0.182 | S | C | * | . | P | Polyproline II helix | trans | -85.9 | 152.5 | 178.3 | -60.8 | -56.3 | -52.5 | 0 | 0 | 111.5 | P1338 C1342 | P1338-Q1340 PolarHBondContact O-N 3.27Å; P1338-Q1340 PolarHBondContact O-NE2 3.24Å; P1338-Q1340 VanDerWaalsContact O-NE2 3.11Å; Q1340-C1342 PolarHBondContact O-N 3.32Å; Q1340-C1342 PolarHBondContact O-SG 3.37Å |
| 1341 | P | 87.6 | Confident | 87.4 | Confident | 48 Ų | 48 | 35 Ų | 35 | 31% | 0.312 | 20% | 0.196 | S | C | . | . | P | Polyproline II helix | trans | -58.5 | 130.3 | 172.9 | -25.5 | 36 | 0 | 0 | 0 | 112.4 | S1352 F1355 I1467 | P1341-S1352 VanDerWaalsContact CB-OG 3.22Å; P1341-S1352 WeakPolarHBondContact CB-OG 3.34Å; P1341-S1352 PolarHBondContact O-OG 3.27Å; P1341-F1355 CarbonylContact C-O 3.5Å; P1341-F1355 VanDerWaalsContact CA-O 3.26Å; P1341-F1355 WeakPolarHBondContact CA-O 3.37Å; P1341-I1467 HydrophobicContact CG-CB 4.48Å; P1341-I1467 HydrophobicContact CG-CD1 3.81Å; P1341-I1467 HydrophobicContact CG-CG2 4.13Å |
| 1342 | C | 89.7 | Confident | 87 | Confident | 16 Ų | 16 | 37 Ų | 37 | 11% | 0.108 | 21% | 0.21 | C | C | . | . | trans | -102.8 | 163.6 | -179.2 | -17.4 | 0 | 0 | 0 | 0 | 111.7 | Q1340 S1352 F1355 R1356 F1357 F1358 | Q1340-C1342 PolarHBondContact O-N 3.32Å; Q1340-C1342 PolarHBondContact O-SG 3.37Å; C1342-S1352 WeakPolarHBondContact O-CA 3.31Å; C1342-S1352 VanDerWaalsContact O-CB 3.3Å; C1342-S1352 WeakPolarHBondContact O-CB 3.37Å; C1342-S1352 PolarHBondContact O-OG 3.18Å; C1342-F1355 PolarHBondContact N-O 3.3Å; C1342-R1356 VanDerWaalsContact SG-C 3.53Å; C1342-F1357 PolarHBondContact SG-O 3.15Å; C1342-F1358 HydrophobicContact CB-CD1 3.83Å; C1342-F1358 HydrophobicContact CB-CD2 4.3Å; C1342-F1358 HydrophobicContact CB-CE1 3.62Å; C1342-F1358 HydrophobicContact CB-CE2 4.19Å; C1342-F1358 HydrophobicContact CB-CG 4.23Å; C1342-F1358 HydrophobicContact CB-CZ 3.81Å; C1342-F1358 PolarHBondContact SG-N 3.45Å | ||
| 1343 | A | 90.6 | Very high | 86.5 | Confident | 23.8 Ų | 23.8 | 37 Ų | 37 | 20% | 0.197 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 148.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112 | F1345 P1349 R1351 | A1343-F1345 HydrophobicContact CB-CD2 4.42Å; A1343-F1345 HydrophobicContact CB-CE2 3.98Å; A1343-F1345 VanDerWaalsContact O-CD2 3.28Å; A1343-F1345 WeakPolarHBondContact O-CD2 3.29Å; A1343-F1345 WeakPolarHBondContact O-CE2 3.43Å; A1343-P1349 HydrophobicContact CB-CB 4.07Å; A1343-R1351 CarbonylContact C-O 3.52Å; A1343-R1351 VanDerWaalsContact CA-O 3.31Å; A1343-R1351 WeakPolarHBondContact CA-O 3.36Å |
| 1344 | I | 93.3 | Very high | 86.2 | Confident | 3.2 Ų | 3.2 | 37.6 Ų | 37.6 | 2% | 0.016 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 145.2 | 162.7 | -59.3 | -101.1 | 0 | 0 | 0 | 108.8 | I1350 R1351 V1353 F1355 I1359 F1363 V1372 F1477 | I1344-I1350 HydrophobicContact CG2-CD1 4.31Å; I1344-I1350 WeakPolarHBondContact O-CB 3.42Å; I1344-I1350 PolarHBondContact O-N 3.03Å; I1344-R1351 PolarHBondContact N-O 3.14Å; I1344-V1353 HydrophobicContact CD1-CB 4.21Å; I1344-V1353 HydrophobicContact CD1-CG1 3.81Å; I1344-V1353 HydrophobicContact CD1-CG2 3.54Å; I1344-V1353 HydrophobicContact CG1-CB 4.41Å; I1344-V1353 HydrophobicContact CG1-CG1 4.09Å; I1344-V1353 HydrophobicContact CG1-CG2 3.72Å; I1344-F1355 HydrophobicContact CD1-CD2 4.21Å; I1344-F1355 HydrophobicContact CD1-CE2 4.47Å; I1344-I1359 HydrophobicContact CD1-CB 3.81Å; I1344-I1359 HydrophobicContact CD1-CD1 3.93Å; I1344-I1359 HydrophobicContact CD1-CG1 4.15Å; I1344-I1359 HydrophobicContact CG1-CB 4.39Å; I1344-I1359 HydrophobicContact CG2-CB 4.43Å; I1344-F1363 HydrophobicContact CG2-CD2 4.11Å; I1344-F1363 HydrophobicContact CG2-CE2 3.62Å; I1344-F1363 VanDerWaalsContact CG2-CE2 3.5Å; I1344-F1363 HydrophobicContact CG2-CZ 4.38Å; I1344-V1372 HydrophobicContact CG2-CG2 4.32Å; I1344-F1477 HydrophobicContact CD1-CD1 3.82Å; I1344-F1477 HydrophobicContact CD1-CD2 3.5Å; I1344-F1477 HydrophobicContact CD1-CE1 4.15Å; I1344-F1477 HydrophobicContact CD1-CE2 3.8Å; I1344-F1477 HydrophobicContact CD1-CG 3.82Å; I1344-F1477 HydrophobicContact CD1-CZ 3.97Å; I1344-F1477 HydrophobicContact CG1-CE2 4.19Å; I1344-F1477 HydrophobicContact CG1-CZ 4.19Å; I1344-F1477 HydrophobicContact CG2-CE2 4.33Å; I1344-F1477 HydrophobicContact CG2-CZ 3.84Å |
| 1345 | F | 95.3 | Very high | 86.5 | Confident | 0.4 Ų | 0.4 | 34.3 Ų | 34.3 | 0% | 0.002 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 144.1 | -177.6 | -76.7 | -113.1 | 0 | 0 | 0 | 111.9 | F1235 A1343 L1348 P1349 F1358 I1359 N1360 A1361 F1363 | F1235-F1345 HydrophobicContact CB-CD1 4.36Å; F1235-F1345 HydrophobicContact CD2-CB 3.72Å; F1235-F1345 AromaticContact CD2-CD1 3.49Å; F1235-F1345 HydrophobicContact CD2-CD1 3.49Å; F1235-F1345 VanDerWaalsContact CD2-CD1 3.48Å; F1235-F1345 AromaticContact CD2-CD2 4Å; F1235-F1345 HydrophobicContact CD2-CD2 4.06Å; F1235-F1345 AromaticContact CD2-CE1 3.96Å; F1235-F1345 HydrophobicContact CD2-CE1 4.02Å; F1235-F1345 HydrophobicContact CD2-CE2 4.46Å; F1235-F1345 AromaticContact CD2-CG 3.49Å; F1235-F1345 HydrophobicContact CD2-CG 3.49Å; F1235-F1345 VanDerWaalsContact CD2-CG 3.47Å; F1235-F1345 HydrophobicContact CD2-CZ 4.42Å; F1235-F1345 HydrophobicContact CE2-CB 4.13Å; F1235-F1345 HydrophobicContact CE2-CD1 4.19Å; F1235-F1345 AromaticContact CE2-CD2 3.91Å; F1235-F1345 HydrophobicContact CE2-CD2 3.93Å; F1235-F1345 HydrophobicContact CE2-CE2 4.4Å; F1235-F1345 AromaticContact CE2-CG 3.83Å; F1235-F1345 HydrophobicContact CE2-CG 3.83Å; F1235-F1345 HydrophobicContact CG-CD1 4.45Å; A1343-F1345 HydrophobicContact CB-CD2 4.42Å; A1343-F1345 HydrophobicContact CB-CE2 3.98Å; A1343-F1345 VanDerWaalsContact O-CD2 3.28Å; A1343-F1345 WeakPolarHBondContact O-CD2 3.29Å; A1343-F1345 WeakPolarHBondContact O-CE2 3.43Å; F1345-L1348 VanDerWaalsContact CA-O 3.27Å; F1345-L1348 WeakPolarHBondContact CA-O 3.39Å; F1345-P1349 HydrophobicContact CD1-CB 4.35Å; F1345-P1349 VanDerWaalsContact CD1-N 3.34Å; F1345-P1349 HydrophobicContact CD2-CB 4.48Å; F1345-P1349 HydrophobicContact CE1-CB 3.91Å; F1345-P1349 HydrophobicContact CE1-CG 4.21Å; F1345-P1349 HydrophobicContact CE2-CB 4.08Å; F1345-P1349 HydrophobicContact CZ-CB 3.75Å; F1345-P1349 HydrophobicContact CZ-CG 4.36Å; F1345-F1358 HydrophobicContact CD2-CD1 4.15Å; F1345-F1358 AromaticContact CE2-CD1 3.56Å; F1345-F1358 HydrophobicContact CE2-CD1 3.56Å; F1345-F1358 AromaticContact CE2-CE1 3.91Å; F1345-F1358 HydrophobicContact CE2-CE1 3.96Å; F1345-F1358 HydrophobicContact CZ-CD1 4.35Å; F1345-F1358 HydrophobicContact CZ-CE1 4.4Å; F1345-I1359 PolarHBondContact N-O 3.26Å; F1345-N1360 HydrophobicContact CB-CB 4.04Å; F1345-N1360 WeakPolarHBondContact O-CA 3.32Å; F1345-A1361 PolarHBondContact O-N 3.09Å; F1345-F1363 WeakPolarHBondContact O-CD2 3.37Å |
| 1346 | S | 92 | Very high | 86.9 | Confident | 11 Ų | 11 | 32.4 Ų | 32.4 | 8% | 0.077 | 19% | 0.187 | C | C | . | . | S | Bend | trans | -121.7 | 73.4 | 153.3 | 178.9 | 0 | 0 | 0 | 0 | 106.6 | L1348 A1361 F1363 | S1346-L1348 PolarHBondContact N-O 3.09Å; S1346-L1348 PolarHBondContact O-N 3.1Å; S1346-A1361 VanDerWaalsContact CA-O 3.32Å; S1346-A1361 WeakPolarHBondContact CA-O 3.35Å; S1346-A1361 WeakPolarHBondContact CB-O 3.1Å; S1346-A1361 PolarHBondContact OG-O 3.17Å; S1346-A1361 VanDerWaalsContact OG-O 3.07Å; S1346-F1363 PolarHBondContact OG-N 3.18Å; S1346-F1363 PolarHBondContact OG-O 3.27Å |
| 1347 | Y | 91.3 | Very high | 87.7 | Confident | 13.4 Ų | 13.4 | 27.9 Ų | 27.9 | 5% | 0.053 | 16% | 0.155 | C | C | . | . | S | Bend | trans | 63.1 | -28.5 | -167.1 | -51.5 | -81.9 | 0 | 0 | 0 | 115.2 | I1121 F1235 R1237 N1360 D1362 | I1121-Y1347 HydrophobicContact CD1-CD2 4.43Å; I1121-Y1347 HydrophobicContact CD1-CG 4.04Å; I1121-Y1347 HydrophobicContact CG1-CD2 4.13Å; I1121-Y1347 HydrophobicContact CG1-CG 4.07Å; I1121-Y1347 HydrophobicContact CG2-CD2 3.99Å; I1121-Y1347 HydrophobicContact CG2-CG 4.39Å; F1235-Y1347 CarbonylContact C-O 3.56Å; F1235-Y1347 WeakPolarHBondContact O-CD1 3.4Å; R1237-Y1347 HydrophobicContact CG-CD1 4.02Å; R1237-Y1347 HydrophobicContact CG-CE1 4.31Å; R1237-Y1347 VanDerWaalsContact NE-CE1 3.28Å; R1237-Y1347 PolarHBondContact NH2-OH 3.12Å; R1237-Y1347 VanDerWaalsContact NH2-OH 3.09Å; Y1347-N1360 WeakPolarHBondContact CA-OD1 3.3Å; Y1347-N1360 PolarHBondContact N-OD1 2.98Å; Y1347-D1362 HydrophobicContact CE2-CB 4.29Å |
| 1348 | L | 92 | Very high | 88.8 | Confident | 13.6 Ų | 13.6 | 26.8 Ų | 26.8 | 7% | 0.071 | 15% | 0.148 | C | C | . | . | S | Bend | trans | -119 | 154.7 | 169.3 | -71.3 | 171.6 | 0 | 0 | 0 | 110.2 | L1043 I1046 Q1047 L1232 L1236 F1345 S1346 | L1043-L1348 HydrophobicContact CB-CD1 4.41Å; L1043-L1348 WeakPolarHBondContact O-CD1 3.33Å; I1046-L1348 HydrophobicContact CG2-CD2 4.11Å; Q1047-L1348 HydrophobicContact CB-CD1 3.66Å; Q1047-L1348 HydrophobicContact CG-CD1 3.96Å; L1232-L1348 HydrophobicContact CD1-CD2 3.54Å; L1232-L1348 VanDerWaalsContact CD1-CD2 3.48Å; L1232-L1348 HydrophobicContact CD2-CD2 4.18Å; L1232-L1348 HydrophobicContact CG-CD2 4.45Å; L1236-L1348 HydrophobicContact CD2-CD2 3.68Å; L1236-L1348 HydrophobicContact CD2-CG 4.38Å; F1345-L1348 VanDerWaalsContact CA-O 3.27Å; F1345-L1348 WeakPolarHBondContact CA-O 3.39Å; S1346-L1348 PolarHBondContact N-O 3.09Å; S1346-L1348 PolarHBondContact O-N 3.1Å |
| 1349 | P | 91.5 | Very high | 89.8 | Confident | 34 Ų | 34 | 24.3 Ų | 24.3 | 22% | 0.221 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 138.7 | -179.3 | 27.7 | -34.2 | 0 | 0 | 0 | 110.9 | L1043 L1232 A1343 F1345 | L1043-P1349 HydrophobicContact CD2-CG 4.35Å; L1232-P1349 HydrophobicContact CD1-CG 3.83Å; L1232-P1349 HydrophobicContact CD2-CG 3.39Å; L1232-P1349 HydrophobicContact CG-CG 4.48Å; A1343-P1349 HydrophobicContact CB-CB 4.07Å; F1345-P1349 HydrophobicContact CD1-CB 4.35Å; F1345-P1349 VanDerWaalsContact CD1-N 3.34Å; F1345-P1349 HydrophobicContact CD2-CB 4.48Å; F1345-P1349 HydrophobicContact CE1-CB 3.91Å; F1345-P1349 HydrophobicContact CE1-CG 4.21Å; F1345-P1349 HydrophobicContact CE2-CB 4.08Å; F1345-P1349 HydrophobicContact CZ-CB 3.75Å; F1345-P1349 HydrophobicContact CZ-CG 4.36Å |
| 1350 | I | 89.9 | Confident | 90.5 | Very high | 19.8 Ų | 19.8 | 24.1 Ų | 24.1 | 10% | 0.102 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | -72.6 | 179.3 | -57.2 | 160.5 | 0 | 0 | 0 | 108.6 | I1344 F1363 L1365 E1370 V1372 | I1344-I1350 HydrophobicContact CG2-CD1 4.31Å; I1344-I1350 WeakPolarHBondContact O-CB 3.42Å; I1344-I1350 PolarHBondContact O-N 3.03Å; I1350-F1363 HydrophobicContact CD1-CD2 4.46Å; I1350-L1365 HydrophobicContact CD1-CD1 4.46Å; I1350-L1365 HydrophobicContact CD1-CD2 3.46Å; I1350-L1365 VanDerWaalsContact CD1-CD2 3.45Å; I1350-L1365 HydrophobicContact CG1-CD1 4.38Å; I1350-L1365 HydrophobicContact CG1-CD2 4.14Å; I1350-E1370 VanDerWaalsContact CG2-C 3.44Å; I1350-E1370 WeakPolarHBondContact CG2-O 3.36Å; I1350-V1372 HydrophobicContact CD1-CG2 3.86Å |
| 1351 | R | 86.5 | Confident | 91.1 | Very high | 81.6 Ų | 81.6 | 17.9 Ų | 17.9 | 31% | 0.308 | 10% | 0.102 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -161.8 | 164.7 | 176.5 | 65.9 | 177.3 | -164.5 | 105.5 | -8.2 | 111.3 | A1343 I1344 V1353 D1371 N1475 | A1343-R1351 CarbonylContact C-O 3.52Å; A1343-R1351 VanDerWaalsContact CA-O 3.31Å; A1343-R1351 WeakPolarHBondContact CA-O 3.36Å; I1344-R1351 PolarHBondContact N-O 3.14Å; R1351-V1353 HydrophobicContact CG-CG1 4.26Å; R1351-V1353 VanDerWaalsContact CZ-CG1 3.5Å; R1351-V1353 VanDerWaalsContact NH1-CG1 3.31Å; R1351-D1371 WeakPolarHBondContact CD-OD1 3.19Å; R1351-D1371 IonicContact CZ-OD1 3.52Å; R1351-D1371 IonicContact CZ-OD2 2.84Å; R1351-D1371 IonicContact NE-OD1 3.29Å; R1351-D1371 PolarHBondContact NE-OD1 3.14Å; R1351-D1371 IonicContact NE-OD2 2.87Å; R1351-D1371 PolarHBondContact NE-OD2 3.03Å; R1351-D1371 VanDerWaalsContact NH2-CG 3.33Å; R1351-D1371 IonicContact NH2-OD1 2.86Å; R1351-D1371 PolarHBondContact NH2-OD1 3.1Å; R1351-D1371 VanDerWaalsContact NH2-OD1 3.15Å; R1351-D1371 IonicContact NH2-OD2 2.99Å; R1351-D1371 PolarHBondContact NH2-OD2 3.17Å; R1351-N1475 PolarHBondContact NH2-ND2 3Å; R1351-N1475 VanDerWaalsContact NH2-ND2 3.18Å |
| 1352 | S | 86.5 | Confident | 91.2 | Very high | 41.4 Ų | 41.4 | 15.9 Ų | 15.9 | 29% | 0.29 | 9% | 0.088 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 139.4 | 168.3 | -171 | 0 | 0 | 0 | 0 | 111.5 | P1341 C1342 G1354 | P1341-S1352 VanDerWaalsContact CB-OG 3.22Å; P1341-S1352 WeakPolarHBondContact CB-OG 3.34Å; P1341-S1352 PolarHBondContact O-OG 3.27Å; C1342-S1352 WeakPolarHBondContact O-CA 3.31Å; C1342-S1352 VanDerWaalsContact O-CB 3.3Å; C1342-S1352 WeakPolarHBondContact O-CB 3.37Å; C1342-S1352 PolarHBondContact O-OG 3.18Å; S1352-G1354 PolarHBondContact OG-N 2.92Å |
| 1353 | V | 83.2 | Confident | 91.3 | Very high | 5.6 Ų | 5.6 | 15.3 Ų | 15.3 | 3% | 0.034 | 8% | 0.084 | C | C | . | . | trans | -122.7 | 12.5 | 175 | -50.7 | 0 | 0 | 0 | 0 | 112.6 | I1344 R1351 F1355 T1470 I1471 F1477 | I1344-V1353 HydrophobicContact CD1-CB 4.21Å; I1344-V1353 HydrophobicContact CD1-CG1 3.81Å; I1344-V1353 HydrophobicContact CD1-CG2 3.54Å; I1344-V1353 HydrophobicContact CG1-CB 4.41Å; I1344-V1353 HydrophobicContact CG1-CG1 4.09Å; I1344-V1353 HydrophobicContact CG1-CG2 3.72Å; R1351-V1353 HydrophobicContact CG-CG1 4.26Å; R1351-V1353 VanDerWaalsContact CZ-CG1 3.5Å; R1351-V1353 VanDerWaalsContact NH1-CG1 3.31Å; V1353-F1355 HydrophobicContact CG2-CD2 3.37Å; V1353-F1355 VanDerWaalsContact CG2-CD2 3.44Å; V1353-F1355 HydrophobicContact CG2-CE2 3.52Å; V1353-F1355 VanDerWaalsContact CG2-CE2 3.44Å; V1353-F1355 HydrophobicContact CG2-CG 4.45Å; V1353-T1470 VanDerWaalsContact O-CG2 3.27Å; V1353-T1470 WeakPolarHBondContact O-CG2 3.46Å; V1353-I1471 WeakPolarHBondContact O-CD1 3.46Å; V1353-I1471 VanDerWaalsContact O-CG1 3.27Å; V1353-I1471 WeakPolarHBondContact O-CG1 3.3Å; V1353-F1477 HydrophobicContact CG1-CD2 4.29Å; V1353-F1477 HydrophobicContact CG2-CB 4.46Å; V1353-F1477 HydrophobicContact CG2-CD2 4.28Å; V1353-F1477 HydrophobicContact CG2-CG 4.4Å | ||
| 1354 | G | 83.3 | Confident | 91.2 | Very high | 15 Ų | 15 | 15.9 Ų | 15.9 | 16% | 0.155 | 8% | 0.084 | C | C | . | . | S | Bend | trans | 101.3 | -8.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 116.3 | S1352 L1437 T1469 | S1352-G1354 PolarHBondContact OG-N 2.92Å; G1354-L1437 WeakPolarHBondContact O-CD2 3.48Å; G1354-T1469 WeakPolarHBondContact CA-OG1 3.37Å |
| 1355 | F | 89.9 | Confident | 91 | Very high | 1.8 Ų | 1.8 | 17.4 Ų | 17.4 | 1% | 0.008 | 9% | 0.092 | C | C | . | . | trans | -72.2 | 142.8 | 173.8 | -62.1 | -65.9 | 0 | 0 | 0 | 111.6 | P1341 C1342 I1344 V1353 F1357 I1359 P1434 T1470 I1471 F1477 L1480 L1484 | P1341-F1355 CarbonylContact C-O 3.5Å; P1341-F1355 VanDerWaalsContact CA-O 3.26Å; P1341-F1355 WeakPolarHBondContact CA-O 3.37Å; C1342-F1355 PolarHBondContact N-O 3.3Å; I1344-F1355 HydrophobicContact CD1-CD2 4.21Å; I1344-F1355 HydrophobicContact CD1-CE2 4.47Å; V1353-F1355 HydrophobicContact CG2-CD2 3.37Å; V1353-F1355 VanDerWaalsContact CG2-CD2 3.44Å; V1353-F1355 HydrophobicContact CG2-CE2 3.52Å; V1353-F1355 VanDerWaalsContact CG2-CE2 3.44Å; V1353-F1355 HydrophobicContact CG2-CG 4.45Å; F1355-F1357 VanDerWaalsContact C-N 3.31Å; F1355-F1357 HydrophobicContact CB-CD1 4.21Å; F1355-F1357 HydrophobicContact CB-CE1 4.01Å; F1355-F1357 HydrophobicContact CB-CZ 4.3Å; F1355-F1357 AromaticContact CD1-CE1 3.73Å; F1355-F1357 HydrophobicContact CD1-CE1 3.73Å; F1355-F1357 AromaticContact CD1-CZ 3.82Å; F1355-F1357 HydrophobicContact CD1-CZ 3.82Å; F1355-F1357 HydrophobicContact CE1-CZ 4.43Å; F1355-F1357 HydrophobicContact CG-CE1 4.15Å; F1355-F1357 HydrophobicContact CG-CZ 4.14Å; F1355-I1359 HydrophobicContact CB-CD1 4.49Å; F1355-I1359 HydrophobicContact CD2-CD1 3.68Å; F1355-I1359 HydrophobicContact CE2-CD1 4.05Å; F1355-I1359 HydrophobicContact CG-CD1 4.14Å; F1355-P1434 HydrophobicContact CD1-CB 4.1Å; F1355-P1434 HydrophobicContact CD1-CG 4.4Å; F1355-P1434 HydrophobicContact CE1-CB 4.05Å; F1355-P1434 HydrophobicContact CE1-CG 4.17Å; F1355-T1470 HydrophobicContact CE1-CG2 4.45Å; F1355-T1470 HydrophobicContact CZ-CG2 4.49Å; F1355-I1471 HydrophobicContact CZ-CD1 4.12Å; F1355-F1477 HydrophobicContact CE2-CB 4.08Å; F1355-F1477 HydrophobicContact CE2-CD1 4.21Å; F1355-F1477 HydrophobicContact CE2-CG 4.27Å; F1355-F1477 HydrophobicContact CZ-CB 4.45Å; F1355-L1480 HydrophobicContact CE1-CD2 4.22Å; F1355-L1480 HydrophobicContact CE1-CG 4.41Å; F1355-L1480 HydrophobicContact CE2-CD2 3.93Å; F1355-L1480 HydrophobicContact CZ-CB 4.1Å; F1355-L1480 HydrophobicContact CZ-CD2 3.61Å; F1355-L1480 HydrophobicContact CZ-CG 4Å; F1355-L1484 HydrophobicContact CE1-CD1 4.34Å | ||
| 1356 | R | 91.5 | Very high | 90.5 | Very high | 30.4 Ų | 30.4 | 19.5 Ų | 19.5 | 12% | 0.115 | 11% | 0.105 | C | C | . | . | S | Bend | trans | -96.9 | 15.6 | 178 | -67 | 175.4 | 167.9 | 92.3 | 6.6 | 113.2 | L1339 C1342 S1431 C1432 L1437 | L1339-R1356 HydrophobicContact CB-CB 4.03Å; L1339-R1356 HydrophobicContact CB-CG 4.29Å; L1339-R1356 VanDerWaalsContact O-CD 3.31Å; L1339-R1356 WeakPolarHBondContact O-CD 3.34Å; L1339-R1356 WeakPolarHBondContact O-CG 3.35Å; L1339-R1356 PolarHBondContact O-NE 3.29Å; C1342-R1356 VanDerWaalsContact SG-C 3.53Å; R1356-S1431 WeakPolarHBondContact CD-O 3.1Å; R1356-C1432 HydrophobicContact CB-CB 4.45Å; R1356-C1432 PolarHBondContact O-SG 2.97Å; R1356-L1437 VanDerWaalsContact NH2-CD1 3.28Å |
| 1357 | F | 94.2 | Very high | 89.6 | Confident | 1.6 Ų | 1.6 | 22.7 Ų | 22.7 | 1% | 0.007 | 13% | 0.127 | C | C | . | . | S | Bend | trans | -136.1 | 149.6 | 173.7 | 60.3 | -85.5 | 0 | 0 | 0 | 107.7 | L1329 A1330 I1331 C1342 F1355 I1359 F1390 C1432 L1484 | L1329-F1357 HydrophobicContact CD2-CD2 4.25Å; L1329-F1357 HydrophobicContact CD2-CE2 4.09Å; A1330-F1357 CarbonylContact O-C 3.57Å; A1330-F1357 WeakPolarHBondContact O-CA 3.36Å; A1330-F1357 WeakPolarHBondContact O-CB 3.16Å; I1331-F1357 HydrophobicContact CG1-CB 4.05Å; C1342-F1357 PolarHBondContact SG-O 3.15Å; F1355-F1357 VanDerWaalsContact C-N 3.31Å; F1355-F1357 HydrophobicContact CB-CD1 4.21Å; F1355-F1357 HydrophobicContact CB-CE1 4.01Å; F1355-F1357 HydrophobicContact CB-CZ 4.3Å; F1355-F1357 AromaticContact CD1-CE1 3.73Å; F1355-F1357 HydrophobicContact CD1-CE1 3.73Å; F1355-F1357 AromaticContact CD1-CZ 3.82Å; F1355-F1357 HydrophobicContact CD1-CZ 3.82Å; F1355-F1357 HydrophobicContact CE1-CZ 4.43Å; F1355-F1357 HydrophobicContact CG-CE1 4.15Å; F1355-F1357 HydrophobicContact CG-CZ 4.14Å; F1357-I1359 HydrophobicContact CD2-CD1 4.41Å; F1357-I1359 HydrophobicContact CD2-CG1 3.84Å; F1357-I1359 HydrophobicContact CE2-CD1 3.65Å; F1357-I1359 HydrophobicContact CE2-CG1 3.5Å; F1357-I1359 VanDerWaalsContact CE2-CG1 3.49Å; F1357-I1359 HydrophobicContact CZ-CD1 4.14Å; F1357-I1359 HydrophobicContact CZ-CG1 4.44Å; F1357-F1390 HydrophobicContact CD1-CE2 4.17Å; F1357-F1390 HydrophobicContact CD2-CE2 4.07Å; F1357-F1390 AromaticContact CE1-CE2 3.96Å; F1357-F1390 HydrophobicContact CE1-CE2 3.97Å; F1357-F1390 HydrophobicContact CE2-CD2 4.08Å; F1357-F1390 AromaticContact CE2-CE2 3.85Å; F1357-F1390 HydrophobicContact CE2-CE2 3.85Å; F1357-F1390 HydrophobicContact CG-CE2 4.23Å; F1357-F1390 HydrophobicContact CZ-CD2 4.18Å; F1357-F1390 AromaticContact CZ-CE2 3.81Å; F1357-F1390 HydrophobicContact CZ-CE2 3.81Å; F1357-C1432 HydrophobicContact CB-CB 4.23Å; F1357-C1432 HydrophobicContact CD1-CB 4.14Å; F1357-C1432 WeakPolarHBondContact CD1-O 3.37Å; F1357-L1484 HydrophobicContact CE1-CD1 4.43Å; F1357-L1484 HydrophobicContact CZ-CD1 4.03Å |
| 1358 | F | 96 | Very high | 88.7 | Confident | 14.2 Ų | 14.2 | 23.3 Ų | 23.3 | 6% | 0.062 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 138.6 | -179.4 | -62.7 | -88.4 | 0 | 0 | 0 | 110 | L1234 F1235 W1303 L1329 A1330 C1342 F1345 | L1234-F1358 HydrophobicContact CD1-CB 4.41Å; L1234-F1358 HydrophobicContact CD1-CD1 3.79Å; L1234-F1358 HydrophobicContact CD1-CD2 3.82Å; L1234-F1358 HydrophobicContact CD1-CE1 3.93Å; L1234-F1358 HydrophobicContact CD1-CE2 3.99Å; L1234-F1358 HydrophobicContact CD1-CG 3.73Å; L1234-F1358 HydrophobicContact CD1-CZ 4.03Å; F1235-F1358 HydrophobicContact CE2-CB 3.86Å; F1235-F1358 HydrophobicContact CE2-CG 4.45Å; F1235-F1358 HydrophobicContact CZ-CB 3.81Å; W1303-F1358 AromaticContact CD1-CD2 4Å; W1303-F1358 AromaticContact CD1-CE2 3.68Å; W1303-F1358 AromaticContact NE1-CE2 3.42Å; W1303-F1358 AromaticContact NE1-CZ 3.98Å; L1329-F1358 CarbonylContact C-O 3.57Å; L1329-F1358 VanDerWaalsContact CA-O 3.3Å; L1329-F1358 WeakPolarHBondContact CA-O 3.36Å; A1330-F1358 HydrophobicContact CB-CB 4.07Å; A1330-F1358 HydrophobicContact CB-CD2 4.34Å; A1330-F1358 PolarHBondContact N-O 3.12Å; A1330-F1358 WeakPolarHBondContact O-CD2 3.38Å; A1330-F1358 PolarHBondContact O-N 3Å; C1342-F1358 HydrophobicContact CB-CD1 3.83Å; C1342-F1358 HydrophobicContact CB-CD2 4.3Å; C1342-F1358 HydrophobicContact CB-CE1 3.62Å; C1342-F1358 HydrophobicContact CB-CE2 4.19Å; C1342-F1358 HydrophobicContact CB-CG 4.23Å; C1342-F1358 HydrophobicContact CB-CZ 3.81Å; C1342-F1358 PolarHBondContact SG-N 3.45Å; F1345-F1358 HydrophobicContact CD2-CD1 4.15Å; F1345-F1358 AromaticContact CE2-CD1 3.56Å; F1345-F1358 HydrophobicContact CE2-CD1 3.56Å; F1345-F1358 AromaticContact CE2-CE1 3.91Å; F1345-F1358 HydrophobicContact CE2-CE1 3.96Å; F1345-F1358 HydrophobicContact CZ-CD1 4.35Å; F1345-F1358 HydrophobicContact CZ-CE1 4.4Å |
| 1359 | I | 96.5 | Very high | 88 | Confident | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 123.7 | 174.7 | -59.8 | 171.1 | 0 | 0 | 0 | 107.1 | L1329 I1344 F1345 F1355 F1357 F1363 I1386 L1480 | L1329-I1359 HydrophobicContact CD2-CB 4.46Å; L1329-I1359 HydrophobicContact CD2-CG1 4.02Å; L1329-I1359 HydrophobicContact CD2-CG2 4.48Å; I1344-I1359 HydrophobicContact CD1-CB 3.81Å; I1344-I1359 HydrophobicContact CD1-CD1 3.93Å; I1344-I1359 HydrophobicContact CD1-CG1 4.15Å; I1344-I1359 HydrophobicContact CG1-CB 4.39Å; I1344-I1359 HydrophobicContact CG2-CB 4.43Å; F1345-I1359 PolarHBondContact N-O 3.26Å; F1355-I1359 HydrophobicContact CB-CD1 4.49Å; F1355-I1359 HydrophobicContact CD2-CD1 3.68Å; F1355-I1359 HydrophobicContact CE2-CD1 4.05Å; F1355-I1359 HydrophobicContact CG-CD1 4.14Å; F1357-I1359 HydrophobicContact CD2-CD1 4.41Å; F1357-I1359 HydrophobicContact CD2-CG1 3.84Å; F1357-I1359 HydrophobicContact CE2-CD1 3.65Å; F1357-I1359 HydrophobicContact CE2-CG1 3.5Å; F1357-I1359 VanDerWaalsContact CE2-CG1 3.49Å; F1357-I1359 HydrophobicContact CZ-CD1 4.14Å; F1357-I1359 HydrophobicContact CZ-CG1 4.44Å; I1359-F1363 HydrophobicContact CG2-CE2 4.34Å; I1359-F1363 HydrophobicContact CG2-CZ 4.22Å; I1359-I1386 HydrophobicContact CD1-CD1 4.37Å; I1359-I1386 HydrophobicContact CG2-CD1 3.69Å; I1359-I1386 HydrophobicContact CG2-CG1 4.48Å; I1359-L1480 HydrophobicContact CD1-CD2 4.19Å |
| 1360 | N | 97 | Very high | 87.5 | Confident | 0.2 Ų | 0.2 | 24.6 Ų | 24.6 | 0% | 0.001 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 130.8 | 172.8 | 176.9 | 62.7 | 0 | 0 | 0 | 110 | F1235 I1327 S1328 F1345 Y1347 | F1235-N1360 HydrophobicContact CB-CB 4.23Å; F1235-N1360 HydrophobicContact CD1-CB 3.51Å; F1235-N1360 VanDerWaalsContact CD1-CB 3.48Å; F1235-N1360 HydrophobicContact CD2-CB 3.76Å; F1235-N1360 HydrophobicContact CE1-CB 3.68Å; F1235-N1360 HydrophobicContact CE2-CB 3.9Å; F1235-N1360 HydrophobicContact CG-CB 3.54Å; F1235-N1360 HydrophobicContact CZ-CB 3.86Å; I1327-N1360 CarbonylContact C-O 3.56Å; I1327-N1360 WeakPolarHBondContact CA-O 3.34Å; I1327-N1360 WeakPolarHBondContact CG2-O 3.49Å; S1328-N1360 PolarHBondContact N-O 3.11Å; S1328-N1360 PolarHBondContact O-N 3.21Å; S1328-N1360 PolarHBondContact OG-ND2 3.03Å; S1328-N1360 VanDerWaalsContact OG-ND2 3.13Å; F1345-N1360 HydrophobicContact CB-CB 4.04Å; F1345-N1360 WeakPolarHBondContact O-CA 3.32Å; Y1347-N1360 WeakPolarHBondContact CA-OD1 3.3Å; Y1347-N1360 PolarHBondContact N-OD1 2.98Å |
| 1361 | A | 94.6 | Very high | 87.3 | Confident | 0.4 Ų | 0.4 | 26.3 Ų | 26.3 | 0% | 0.003 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.8 | 165.9 | 169 | 0 | 0 | 0 | 0 | 0 | 110 | I1327 F1345 S1346 F1363 L1382 | I1327-A1361 HydrophobicContact CB-CB 4.49Å; I1327-A1361 HydrophobicContact CD1-CB 4.45Å; I1327-A1361 HydrophobicContact CG1-CB 3.93Å; I1327-A1361 HydrophobicContact CG2-CB 4.43Å; F1345-A1361 PolarHBondContact O-N 3.09Å; S1346-A1361 VanDerWaalsContact CA-O 3.32Å; S1346-A1361 WeakPolarHBondContact CA-O 3.35Å; S1346-A1361 WeakPolarHBondContact CB-O 3.1Å; S1346-A1361 PolarHBondContact OG-O 3.17Å; S1346-A1361 VanDerWaalsContact OG-O 3.07Å; A1361-F1363 HydrophobicContact CB-CD1 4.35Å; A1361-F1363 HydrophobicContact CB-CD2 3.99Å; A1361-F1363 HydrophobicContact CB-CE1 4.02Å; A1361-F1363 HydrophobicContact CB-CE2 3.62Å; A1361-F1363 HydrophobicContact CB-CG 4.34Å; A1361-F1363 HydrophobicContact CB-CZ 3.64Å; A1361-F1363 WeakPolarHBondContact O-CD2 3.42Å; A1361-F1363 PolarHBondContact O-N 3.14Å; A1361-L1382 HydrophobicContact CB-CD1 4.06Å; A1361-L1382 HydrophobicContact CB-CD2 4.43Å |
| 1362 | D | 90.6 | Very high | 87.4 | Confident | 5.6 Ų | 5.6 | 22.7 Ų | 22.7 | 3% | 0.03 | 13% | 0.131 | C | C | . | . | trans | -75 | 56 | 176.2 | 170.8 | 14 | 0 | 0 | 0 | 112.9 | R1117 R1123 T1325 Y1347 D1364 W1378 L1382 | R1117-D1362 IonicContact CZ-OD2 3.28Å; R1117-D1362 VanDerWaalsContact CZ-OD2 3.25Å; R1117-D1362 IonicContact NE-OD1 3.22Å; R1117-D1362 IonicContact NE-OD2 3.24Å; R1117-D1362 PolarHBondContact NE-OD2 3.22Å; R1117-D1362 IonicContact NH1-OD2 2.72Å; R1117-D1362 PolarHBondContact NH1-OD2 2.99Å; R1117-D1362 PolarHBondContact NH2-O 2.92Å; R1117-D1362 IonicContact NH2-OD1 3.17Å; R1117-D1362 IonicContact NH2-OD2 3.26Å; R1117-D1362 PolarHBondContact NH2-OD2 3.05Å; R1123-D1362 IonicContact CZ-OD1 3.03Å; R1123-D1362 VanDerWaalsContact CZ-OD1 3.28Å; R1123-D1362 IonicContact CZ-OD2 2.91Å; R1123-D1362 IonicContact NH1-OD1 3.39Å; R1123-D1362 PolarHBondContact NH1-OD1 3.11Å; R1123-D1362 VanDerWaalsContact NH1-OD1 3.14Å; R1123-D1362 IonicContact NH1-OD2 3.35Å; R1123-D1362 PolarHBondContact NH1-OD2 3.47Å; R1123-D1362 VanDerWaalsContact NH2-CG 3.3Å; R1123-D1362 IonicContact NH2-OD1 3.7Å; R1123-D1362 PolarHBondContact NH2-OD1 3.17Å; R1123-D1362 IonicContact NH2-OD2 3.54Å; R1123-D1362 PolarHBondContact NH2-OD2 3.17Å; R1123-D1362 VanDerWaalsContact NH2-OD2 3.15Å; T1325-D1362 PolarHBondContact OG1-OD1 3Å; Y1347-D1362 HydrophobicContact CE2-CB 4.29Å; D1362-D1364 PolarHBondContact O-N 2.8Å; D1362-W1378 HydrophobicContact CB-CZ2 4.46Å; D1362-W1378 PolarHBondContact O-NE1 3.15Å; D1362-W1378 WeakPolarHBondContact OD1-CZ2 3.33Å; D1362-W1378 PolarHBondContact OD1-NE1 2.88Å; D1362-W1378 PolarHBondContact OD2-NE1 2.73Å; D1362-L1382 WeakPolarHBondContact O-CD1 3.46Å | ||
| 1363 | F | 92.1 | Very high | 87.5 | Confident | 3.4 Ų | 3.4 | 22.8 Ų | 22.8 | 2% | 0.015 | 13% | 0.129 | C | C | . | . | P | Polyproline II helix | trans | -62.7 | 138.1 | -178.3 | -65.2 | -64.4 | 0 | 0 | 0 | 112.2 | I1344 F1345 S1346 I1350 I1359 A1361 L1365 V1372 N1379 L1382 V1383 F1477 | I1344-F1363 HydrophobicContact CG2-CD2 4.11Å; I1344-F1363 HydrophobicContact CG2-CE2 3.62Å; I1344-F1363 VanDerWaalsContact CG2-CE2 3.5Å; I1344-F1363 HydrophobicContact CG2-CZ 4.38Å; F1345-F1363 WeakPolarHBondContact O-CD2 3.37Å; S1346-F1363 PolarHBondContact OG-N 3.18Å; S1346-F1363 PolarHBondContact OG-O 3.27Å; I1350-F1363 HydrophobicContact CD1-CD2 4.46Å; I1359-F1363 HydrophobicContact CG2-CE2 4.34Å; I1359-F1363 HydrophobicContact CG2-CZ 4.22Å; A1361-F1363 HydrophobicContact CB-CD1 4.35Å; A1361-F1363 HydrophobicContact CB-CD2 3.99Å; A1361-F1363 HydrophobicContact CB-CE1 4.02Å; A1361-F1363 HydrophobicContact CB-CE2 3.62Å; A1361-F1363 HydrophobicContact CB-CG 4.34Å; A1361-F1363 HydrophobicContact CB-CZ 3.64Å; A1361-F1363 WeakPolarHBondContact O-CD2 3.42Å; A1361-F1363 PolarHBondContact O-N 3.14Å; F1363-L1365 HydrophobicContact CB-CD2 3.98Å; F1363-L1365 PolarHBondContact O-N 2.82Å; F1363-V1372 HydrophobicContact CB-CG1 4.11Å; F1363-V1372 HydrophobicContact CB-CG2 4.23Å; F1363-V1372 HydrophobicContact CD1-CG1 4.05Å; F1363-V1372 HydrophobicContact CD2-CG2 4.33Å; F1363-V1372 HydrophobicContact CG-CG1 4.17Å; F1363-V1372 HydrophobicContact CG-CG2 4.19Å; F1363-N1379 VanDerWaalsContact CA-OD1 3.27Å; F1363-N1379 WeakPolarHBondContact CA-OD1 3.33Å; F1363-N1379 HydrophobicContact CD1-CB 4.37Å; F1363-L1382 HydrophobicContact CD1-CB 4.42Å; F1363-L1382 HydrophobicContact CD1-CD1 3.79Å; F1363-L1382 HydrophobicContact CE1-CB 4.04Å; F1363-L1382 HydrophobicContact CE1-CD1 4.16Å; F1363-L1382 HydrophobicContact CG-CD1 4.43Å; F1363-V1383 HydrophobicContact CE1-CG2 4Å; F1363-V1383 HydrophobicContact CZ-CG2 4.34Å; F1363-F1477 HydrophobicContact CE1-CE1 4.28Å; F1363-F1477 AromaticContact CE1-CZ 3.95Å; F1363-F1477 HydrophobicContact CE1-CZ 4.05Å; F1363-F1477 HydrophobicContact CE2-CZ 4.16Å; F1363-F1477 AromaticContact CZ-CE1 3.87Å; F1363-F1477 HydrophobicContact CZ-CE1 3.87Å; F1363-F1477 AromaticContact CZ-CZ 3.71Å; F1363-F1477 HydrophobicContact CZ-CZ 3.71Å |
| 1364 | D | 88.7 | Confident | 87.5 | Confident | 36.6 Ų | 36.6 | 25.1 Ų | 25.1 | 20% | 0.196 | 15% | 0.145 | C | C | . | . | P | Polyproline II helix | trans | -69.4 | 122.8 | 162.9 | -68.1 | -23.5 | 0 | 0 | 0 | 108.5 | R1117 R1123 K1319 D1362 D1373 S1376 W1378 N1379 | R1117-D1364 IonicContact CZ-OD1 3.4Å; R1117-D1364 IonicContact NH1-OD1 3.34Å; R1117-D1364 IonicContact NH2-OD1 3.17Å; R1117-D1364 PolarHBondContact NH2-OD1 3.19Å; R1123-D1364 IonicContact NH1-OD1 2.74Å; R1123-D1364 PolarHBondContact NH1-OD1 3.43Å; K1319-D1364 IonicContact NZ-OD2 3.72Å; K1319-D1364 PolarHBondContact NZ-OD2 3.22Å; D1362-D1364 PolarHBondContact O-N 2.8Å; D1364-D1373 HydrophobicContact CB-CB 4.41Å; D1364-D1373 WeakPolarHBondContact O-CB 3.36Å; D1364-D1373 PolarHBondContact O-N 3.05Å; D1364-S1376 PolarHBondContact OD2-OG 3.13Å; D1364-W1378 WeakPolarHBondContact OD2-CB 3.04Å; D1364-N1379 PolarHBondContact N-OD1 3.19Å; D1364-N1379 PolarHBondContact O-ND2 3.06Å |
| 1365 | L | 88.1 | Confident | 87.6 | Confident | 35.4 Ų | 35.4 | 29.3 Ų | 29.3 | 19% | 0.185 | 17% | 0.168 | C | C | . | . | B | Isolated β-bridge | trans | -103.7 | 151.3 | -177.4 | -50.9 | -178.7 | 0 | 0 | 0 | 111.5 | K1124 I1350 F1363 R1369 D1371 V1372 | K1124-L1365 PolarHBondContact NZ-O 2.95Å; I1350-L1365 HydrophobicContact CD1-CD1 4.46Å; I1350-L1365 HydrophobicContact CD1-CD2 3.46Å; I1350-L1365 VanDerWaalsContact CD1-CD2 3.45Å; I1350-L1365 HydrophobicContact CG1-CD1 4.38Å; I1350-L1365 HydrophobicContact CG1-CD2 4.14Å; F1363-L1365 HydrophobicContact CB-CD2 3.98Å; F1363-L1365 PolarHBondContact O-N 2.82Å; L1365-R1369 HydrophobicContact CB-CB 4.37Å; L1365-R1369 HydrophobicContact CB-CG 4.42Å; L1365-R1369 HydrophobicContact CD1-CB 3.98Å; L1365-R1369 HydrophobicContact CD1-CG 4.27Å; L1365-D1371 WeakPolarHBondContact CA-O 3.28Å; L1365-V1372 HydrophobicContact CD2-CG2 4.21Å |
| 1366 | T | 84.3 | Confident | 87.4 | Confident | 45 Ų | 45 | 29.7 Ų | 29.7 | 28% | 0.276 | 17% | 0.171 | S | C | . | . | P | Polyproline II helix | trans | -55.1 | 162.7 | 168.9 | 59.2 | 0 | 0 | 0 | 0 | 111.6 | K1124 S1368 R1369 D1371 D1373 | K1124-T1366 VanDerWaalsContact NZ-C 3.31Å; K1124-T1366 PolarHBondContact NZ-O 3.26Å; T1366-S1368 PolarHBondContact O-N 3.16Å; T1366-S1368 VanDerWaalsContact O-N 3.1Å; T1366-S1368 PolarHBondContact OG1-OG 2.97Å; T1366-S1368 VanDerWaalsContact OG1-OG 3.05Å; T1366-R1369 WeakPolarHBondContact O-CA 3.32Å; T1366-R1369 PolarHBondContact O-N 3.21Å; T1366-R1369 PolarHBondContact OG1-N 2.81Å; T1366-D1371 HydrophobicContact CG2-CB 4.08Å; T1366-D1371 PolarHBondContact N-O 3.02Å; T1366-D1371 PolarHBondContact OG1-N 3.15Å; T1366-D1371 PolarHBondContact OG1-O 3.14Å; T1366-D1373 HydrophobicContact CG2-CB 4.5Å |
| 1367 | S | 73 | Confident | 87.2 | Confident | 77.8 Ų | 77.8 | 29.4 Ų | 29.4 | 54% | 0.544 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.5 | -37.1 | -179.3 | -63.8 | 0 | 0 | 0 | 0 | 113.4 | L1034 R1369 | L1034-S1367 WeakPolarHBondContact CD2-O 3.25Å; S1367-R1369 VanDerWaalsContact C-N 3.31Å; S1367-R1369 PolarHBondContact O-N 3.31Å |
| 1368 | S | 72.3 | Confident | 87 | Confident | 26.4 Ų | 26.4 | 29.5 Ų | 29.5 | 19% | 0.185 | 18% | 0.175 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.7 | -21.3 | 174.7 | 62.5 | 0 | 0 | 0 | 0 | 114.6 | L1034 Y1035 H1040 T1366 E1370 | L1034-S1368 WeakPolarHBondContact O-CA 3.42Å; L1034-S1368 WeakPolarHBondContact O-CB 3.27Å; Y1035-S1368 WeakPolarHBondContact CD1-O 3.37Å; Y1035-S1368 WeakPolarHBondContact CE1-O 3.46Å; H1040-S1368 PolarHBondContact NE2-O 2.85Å; T1366-S1368 PolarHBondContact O-N 3.16Å; T1366-S1368 VanDerWaalsContact O-N 3.1Å; T1366-S1368 PolarHBondContact OG1-OG 2.97Å; T1366-S1368 VanDerWaalsContact OG1-OG 3.05Å; S1368-E1370 VanDerWaalsContact CB-OE2 3.22Å; S1368-E1370 WeakPolarHBondContact CB-OE2 3.45Å; S1368-E1370 PolarHBondContact O-N 3.22Å; S1368-E1370 VanDerWaalsContact O-N 3.1Å; S1368-E1370 PolarHBondContact OG-N 3.28Å; S1368-E1370 PolarHBondContact OG-OE2 3.21Å |
| 1369 | R | 77.9 | Confident | 86.8 | Confident | 28 Ų | 28 | 28.9 Ų | 28.9 | 11% | 0.106 | 17% | 0.172 | C | C | . | . | S | Bend | trans | 66.1 | 8.8 | -170.8 | -52.5 | -175.7 | 162.8 | -177.9 | 0.2 | 115.4 | E1044 Q1047 L1365 T1366 S1367 D1371 | E1044-R1369 VanDerWaalsContact CD-CZ 3.46Å; E1044-R1369 VanDerWaalsContact CD-NH1 3.34Å; E1044-R1369 VanDerWaalsContact OE1-CD 3.28Å; E1044-R1369 WeakPolarHBondContact OE1-CD 3.31Å; E1044-R1369 IonicContact OE1-CZ 3.28Å; E1044-R1369 VanDerWaalsContact OE1-CZ 3.3Å; E1044-R1369 IonicContact OE1-NE 3.31Å; E1044-R1369 PolarHBondContact OE1-NE 3.03Å; E1044-R1369 IonicContact OE1-NH1 3.43Å; E1044-R1369 PolarHBondContact OE1-NH1 2.96Å; E1044-R1369 VanDerWaalsContact OE1-NH1 3.15Å; E1044-R1369 IonicContact OE1-NH2 3.01Å; E1044-R1369 PolarHBondContact OE1-NH2 2.89Å; E1044-R1369 IonicContact OE2-CZ 3.16Å; E1044-R1369 IonicContact OE2-NH1 3.36Å; E1044-R1369 PolarHBondContact OE2-NH1 3.08Å; E1044-R1369 IonicContact OE2-NH2 3.36Å; E1044-R1369 PolarHBondContact OE2-NH2 3.06Å; Q1047-R1369 VanDerWaalsContact CD-NH1 3.35Å; Q1047-R1369 VanDerWaalsContact CD-NH2 3.3Å; L1365-R1369 HydrophobicContact CB-CB 4.37Å; L1365-R1369 HydrophobicContact CB-CG 4.42Å; L1365-R1369 HydrophobicContact CD1-CB 3.98Å; L1365-R1369 HydrophobicContact CD1-CG 4.27Å; T1366-R1369 WeakPolarHBondContact O-CA 3.32Å; T1366-R1369 PolarHBondContact O-N 3.21Å; T1366-R1369 PolarHBondContact OG1-N 2.81Å; S1367-R1369 VanDerWaalsContact C-N 3.31Å; S1367-R1369 PolarHBondContact O-N 3.31Å; R1369-D1371 VanDerWaalsContact C-N 3.32Å |
| 1370 | E | 80.5 | Confident | 86.6 | Confident | 46.4 Ų | 46.4 | 35.4 Ų | 35.4 | 22% | 0.217 | 20% | 0.197 | C | C | . | . | S | Bend | trans | -89.3 | -7.8 | -179.7 | -62.5 | 174.6 | 159.9 | 0 | 0 | 112.9 | G1036 L1037 H1040 I1350 S1368 | G1036-E1370 VanDerWaalsContact CA-OE1 3.26Å; G1036-E1370 WeakPolarHBondContact CA-OE1 3.29Å; G1036-E1370 VanDerWaalsContact CA-OE2 3.23Å; G1036-E1370 WeakPolarHBondContact CA-OE2 3.44Å; G1036-E1370 PolarHBondContact N-OE1 3.16Å; G1036-E1370 PolarHBondContact N-OE2 3.2Å; L1037-E1370 HydrophobicContact CD1-CB 4.32Å; L1037-E1370 HydrophobicContact CD1-CG 3.87Å; L1037-E1370 HydrophobicContact CG-CG 4.33Å; L1037-E1370 WeakPolarHBondContact CG-OE1 3.28Å; L1037-E1370 PolarHBondContact N-OE1 3.01Å; H1040-E1370 IonicContact CD2-OE1 3.81Å; I1350-E1370 VanDerWaalsContact CG2-C 3.44Å; I1350-E1370 WeakPolarHBondContact CG2-O 3.36Å; S1368-E1370 VanDerWaalsContact CB-OE2 3.22Å; S1368-E1370 WeakPolarHBondContact CB-OE2 3.45Å; S1368-E1370 PolarHBondContact O-N 3.22Å; S1368-E1370 VanDerWaalsContact O-N 3.1Å; S1368-E1370 PolarHBondContact OG-N 3.28Å; S1368-E1370 PolarHBondContact OG-OE2 3.21Å |
| 1371 | D | 86.1 | Confident | 86.3 | Confident | 54.8 Ų | 54.8 | 37.3 Ų | 37.3 | 29% | 0.293 | 20% | 0.204 | S | C | . | . | S | Bend | trans | -142.6 | 157.7 | 172 | -150.8 | -9.9 | 0 | 0 | 0 | 112.2 | R1351 L1365 T1366 R1369 | R1351-D1371 WeakPolarHBondContact CD-OD1 3.19Å; R1351-D1371 IonicContact CZ-OD1 3.52Å; R1351-D1371 IonicContact CZ-OD2 2.84Å; R1351-D1371 IonicContact NE-OD1 3.29Å; R1351-D1371 PolarHBondContact NE-OD1 3.14Å; R1351-D1371 IonicContact NE-OD2 2.87Å; R1351-D1371 PolarHBondContact NE-OD2 3.03Å; R1351-D1371 VanDerWaalsContact NH2-CG 3.33Å; R1351-D1371 IonicContact NH2-OD1 2.86Å; R1351-D1371 PolarHBondContact NH2-OD1 3.1Å; R1351-D1371 VanDerWaalsContact NH2-OD1 3.15Å; R1351-D1371 IonicContact NH2-OD2 2.99Å; R1351-D1371 PolarHBondContact NH2-OD2 3.17Å; L1365-D1371 WeakPolarHBondContact CA-O 3.28Å; T1366-D1371 HydrophobicContact CG2-CB 4.08Å; T1366-D1371 PolarHBondContact N-O 3.02Å; T1366-D1371 PolarHBondContact OG1-N 3.15Å; T1366-D1371 PolarHBondContact OG1-O 3.14Å; R1369-D1371 VanDerWaalsContact C-N 3.32Å |
| 1372 | V | 89.1 | Confident | 86.3 | Confident | 6 Ų | 6 | 37.3 Ų | 37.3 | 4% | 0.036 | 20% | 0.204 | C | C | . | . | B | Isolated β-bridge | trans | -76.9 | 131.4 | 170.1 | 178.7 | 0 | 0 | 0 | 0 | 108.4 | I1344 I1350 F1363 L1365 S1374 N1379 V1476 F1477 | I1344-V1372 HydrophobicContact CG2-CG2 4.32Å; I1350-V1372 HydrophobicContact CD1-CG2 3.86Å; F1363-V1372 HydrophobicContact CB-CG1 4.11Å; F1363-V1372 HydrophobicContact CB-CG2 4.23Å; F1363-V1372 HydrophobicContact CD1-CG1 4.05Å; F1363-V1372 HydrophobicContact CD2-CG2 4.33Å; F1363-V1372 HydrophobicContact CG-CG1 4.17Å; F1363-V1372 HydrophobicContact CG-CG2 4.19Å; L1365-V1372 HydrophobicContact CD2-CG2 4.21Å; V1372-S1374 PolarHBondContact O-N 3.03Å; V1372-S1374 VanDerWaalsContact O-N 3.11Å; V1372-N1379 HydrophobicContact CG1-CB 4.09Å; V1372-N1379 VanDerWaalsContact CG1-ND2 3.25Å; V1372-N1379 WeakPolarHBondContact CG1-ND2 3.33Å; V1372-V1476 HydrophobicContact CB-CG1 4.35Å; V1372-V1476 HydrophobicContact CG1-CB 4.43Å; V1372-V1476 HydrophobicContact CG1-CG1 3.74Å; V1372-V1476 HydrophobicContact CG1-CG2 3.96Å; V1372-F1477 HydrophobicContact CB-CE2 4.31Å; V1372-F1477 HydrophobicContact CG1-CE2 4.43Å; V1372-F1477 HydrophobicContact CG2-CE2 4.04Å; V1372-F1477 HydrophobicContact CG2-CZ 4.26Å |
| 1373 | D | 87.3 | Confident | 86.4 | Confident | 44.6 Ų | 44.6 | 37.2 Ų | 37.2 | 24% | 0.239 | 20% | 0.204 | C | C | . | . | trans | -66.1 | 109.3 | 178.7 | 178.6 | 3.3 | 0 | 0 | 0 | 110.6 | D1364 T1366 T1375 S1376 N1379 | D1364-D1373 HydrophobicContact CB-CB 4.41Å; D1364-D1373 WeakPolarHBondContact O-CB 3.36Å; D1364-D1373 PolarHBondContact O-N 3.05Å; T1366-D1373 HydrophobicContact CG2-CB 4.5Å; D1373-T1375 VanDerWaalsContact C-N 3.27Å; D1373-T1375 PolarHBondContact O-N 3.19Å; D1373-T1375 WeakPolarHBondContact OD1-CA 3.33Å; D1373-T1375 VanDerWaalsContact OD1-CB 3.31Å; D1373-T1375 WeakPolarHBondContact OD1-CB 3.27Å; D1373-T1375 PolarHBondContact OD1-N 3.13Å; D1373-T1375 PolarHBondContact OD1-OG1 3Å; D1373-T1375 PolarHBondContact OD2-OG1 3.01Å; D1373-S1376 WeakPolarHBondContact O-CB 3.36Å; D1373-S1376 PolarHBondContact O-N 3.24Å; D1373-S1376 PolarHBondContact OD1-N 3.04Å; D1373-N1379 PolarHBondContact N-ND2 3.17Å; D1373-N1379 PolarHBondContact O-ND2 2.98Å | ||
| 1374 | S | 84.7 | Confident | 86.5 | Confident | 53.4 Ų | 53.4 | 38.7 Ų | 38.7 | 37% | 0.373 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | -20 | -179.6 | 60.8 | 0 | 0 | 0 | 0 | 113.8 | V1372 S1376 R1380 D1474 | V1372-S1374 PolarHBondContact O-N 3.03Å; V1372-S1374 VanDerWaalsContact O-N 3.11Å; S1374-S1376 VanDerWaalsContact C-N 3.32Å; S1374-R1380 PolarHBondContact O-NE 3.01Å; S1374-R1380 PolarHBondContact O-NH1 3.31Å; S1374-R1380 PolarHBondContact O-NH2 2.74Å; S1374-D1474 VanDerWaalsContact CB-O 3.27Å; S1374-D1474 WeakPolarHBondContact CB-O 3.43Å; S1374-D1474 PolarHBondContact OG-O 3.29Å |
| 1375 | T | 84.2 | Confident | 86.7 | Confident | 104 Ų | 104 | 39.7 Ų | 39.7 | 64% | 0.638 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80 | -21 | 177.5 | 73.6 | 0 | 0 | 0 | 0 | 112.3 | D1373 A1377 R1380 | D1373-T1375 VanDerWaalsContact C-N 3.27Å; D1373-T1375 PolarHBondContact O-N 3.19Å; D1373-T1375 WeakPolarHBondContact OD1-CA 3.33Å; D1373-T1375 VanDerWaalsContact OD1-CB 3.31Å; D1373-T1375 WeakPolarHBondContact OD1-CB 3.27Å; D1373-T1375 PolarHBondContact OD1-N 3.13Å; D1373-T1375 PolarHBondContact OD1-OG1 3Å; D1373-T1375 PolarHBondContact OD2-OG1 3.01Å; T1375-A1377 PolarHBondContact O-N 3.04Å; T1375-R1380 VanDerWaalsContact C-NH1 3.34Å; T1375-R1380 PolarHBondContact O-NH1 2.85Å; T1375-R1380 PolarHBondContact O-NH2 3Å |
| 1376 | S | 87.1 | Confident | 87.1 | Confident | 10.2 Ų | 10.2 | 38 Ų | 38 | 7% | 0.071 | 21% | 0.214 | C | C | . | . | trans | -66.3 | 121 | -178 | 176.1 | 0 | 0 | 0 | 0 | 112.6 | D1364 D1373 S1374 W1378 N1379 R1380 | D1364-S1376 PolarHBondContact OD2-OG 3.13Å; D1373-S1376 WeakPolarHBondContact O-CB 3.36Å; D1373-S1376 PolarHBondContact O-N 3.24Å; D1373-S1376 PolarHBondContact OD1-N 3.04Å; S1374-S1376 VanDerWaalsContact C-N 3.32Å; S1376-W1378 VanDerWaalsContact C-N 3.28Å; S1376-W1378 PolarHBondContact O-N 2.93Å; S1376-W1378 WeakPolarHBondContact OG-CB 3.42Å; S1376-W1378 PolarHBondContact OG-N 3.15Å; S1376-N1379 WeakPolarHBondContact CB-ND2 3.45Å; S1376-N1379 PolarHBondContact O-N 3.06Å; S1376-N1379 PolarHBondContact OG-N 3.33Å; S1376-N1379 VanDerWaalsContact OG-N 3.15Å; S1376-R1380 PolarHBondContact O-N 3.1Å; S1376-R1380 VanDerWaalsContact O-N 3.17Å; S1376-R1380 PolarHBondContact O-NE 3.42Å; S1376-R1380 PolarHBondContact O-NH1 2.99Å | ||
| 1377 | A | 87.5 | Confident | 87.6 | Confident | 23.6 Ų | 23.6 | 36.3 Ų | 36.3 | 20% | 0.195 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -66.4 | -31 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | F1314 E1316 T1375 R1380 W1381 | F1314-A1377 HydrophobicContact CE2-CB 4.39Å; F1314-A1377 HydrophobicContact CZ-CB 3.91Å; E1316-A1377 WeakPolarHBondContact OE1-CB 3.38Å; T1375-A1377 PolarHBondContact O-N 3.04Å; A1377-R1380 VanDerWaalsContact CA-NH2 3.32Å; A1377-R1380 PolarHBondContact O-N 3.28Å; A1377-W1381 WeakPolarHBondContact O-CB 3.43Å; A1377-W1381 PolarHBondContact O-N 3.14Å |
| 1378 | W | 89.5 | Confident | 88.6 | Confident | 4.2 Ų | 4.2 | 35.7 Ų | 35.7 | 2% | 0.016 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -60.7 | -47.1 | 172.6 | 169.7 | -109.8 | 0 | 0 | 0 | 111.6 | R1117 V1312 F1314 L1321 P1322 T1325 D1362 D1364 S1376 R1380 W1381 L1382 | R1117-W1378 VanDerWaalsContact NH2-CE2 3.33Å; R1117-W1378 VanDerWaalsContact NH2-NE1 3.17Å; V1312-W1378 HydrophobicContact CG1-CH2 4.32Å; V1312-W1378 HydrophobicContact CG1-CZ3 3.83Å; V1312-W1378 HydrophobicContact CG2-CH2 3.82Å; V1312-W1378 HydrophobicContact CG2-CZ3 4.05Å; F1314-W1378 HydrophobicContact CB-CZ3 4.44Å; F1314-W1378 AromaticContact CD1-CE3 3.8Å; F1314-W1378 HydrophobicContact CD1-CE3 4.07Å; F1314-W1378 HydrophobicContact CD1-CZ3 4.43Å; F1314-W1378 HydrophobicContact CE1-CB 4.36Å; F1314-W1378 HydrophobicContact CE1-CE3 4.34Å; F1314-W1378 HydrophobicContact CG-CE3 4.49Å; L1321-W1378 HydrophobicContact CD2-CD2 3.92Å; L1321-W1378 HydrophobicContact CD2-CE3 3.41Å; L1321-W1378 VanDerWaalsContact CD2-CE3 3.43Å; L1321-W1378 HydrophobicContact CD2-CG 4.39Å; L1321-W1378 HydrophobicContact CD2-CH2 4.44Å; L1321-W1378 HydrophobicContact CD2-CZ3 3.78Å; P1322-W1378 HydrophobicContact CG-CH2 4.05Å; P1322-W1378 HydrophobicContact CG-CZ2 4.13Å; T1325-W1378 HydrophobicContact CG2-CH2 3.88Å; T1325-W1378 HydrophobicContact CG2-CZ2 4.31Å; D1362-W1378 HydrophobicContact CB-CZ2 4.46Å; D1362-W1378 PolarHBondContact O-NE1 3.15Å; D1362-W1378 WeakPolarHBondContact OD1-CZ2 3.33Å; D1362-W1378 PolarHBondContact OD1-NE1 2.88Å; D1362-W1378 PolarHBondContact OD2-NE1 2.73Å; D1364-W1378 WeakPolarHBondContact OD2-CB 3.04Å; S1376-W1378 VanDerWaalsContact C-N 3.28Å; S1376-W1378 PolarHBondContact O-N 2.93Å; S1376-W1378 WeakPolarHBondContact OG-CB 3.42Å; S1376-W1378 PolarHBondContact OG-N 3.15Å; W1378-R1380 VanDerWaalsContact C-N 3.34Å; W1378-R1380 PolarHBondContact O-N 3.17Å; W1378-W1381 AromaticContact CE3-CE3 3.96Å; W1378-W1381 HydrophobicContact CE3-CE3 4Å; W1378-W1381 HydrophobicContact CE3-CZ3 4.39Å; W1378-W1381 HydrophobicContact CH2-CE3 4.19Å; W1378-W1381 AromaticContact CH2-CZ3 3.83Å; W1378-W1381 HydrophobicContact CH2-CZ3 3.83Å; W1378-W1381 HydrophobicContact CZ3-CD2 4.43Å; W1378-W1381 AromaticContact CZ3-CE3 3.63Å; W1378-W1381 HydrophobicContact CZ3-CE3 3.63Å; W1378-W1381 HydrophobicContact CZ3-CH2 4.43Å; W1378-W1381 AromaticContact CZ3-CZ3 3.61Å; W1378-W1381 HydrophobicContact CZ3-CZ3 3.61Å; W1378-W1381 WeakPolarHBondContact O-CB 3.45Å; W1378-W1381 PolarHBondContact O-N 3.25Å; W1378-W1381 VanDerWaalsContact O-N 3.12Å; W1378-L1382 HydrophobicContact CD2-CD1 4.37Å; W1378-L1382 HydrophobicContact CD2-CG 4.28Å; W1378-L1382 HydrophobicContact CG-CD1 4.45Å; W1378-L1382 HydrophobicContact CH2-CD2 4.12Å; W1378-L1382 HydrophobicContact CH2-CG 4.44Å; W1378-L1382 HydrophobicContact CZ2-CD1 3.95Å; W1378-L1382 HydrophobicContact CZ2-CD2 3.79Å; W1378-L1382 HydrophobicContact CZ2-CG 4.07Å; W1378-L1382 VanDerWaalsContact NE1-CD1 3.28Å; W1378-L1382 WeakPolarHBondContact O-CG 3.2Å; W1378-L1382 PolarHBondContact O-N 3.06Å |
| 1379 | N | 92.2 | Very high | 89.6 | Confident | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -62.4 | -42 | 176.7 | -69.8 | -17.2 | 0 | 0 | 0 | 112.1 | F1363 D1364 V1372 D1373 S1376 W1381 L1382 V1383 V1476 | F1363-N1379 VanDerWaalsContact CA-OD1 3.27Å; F1363-N1379 WeakPolarHBondContact CA-OD1 3.33Å; F1363-N1379 HydrophobicContact CD1-CB 4.37Å; D1364-N1379 PolarHBondContact N-OD1 3.19Å; D1364-N1379 PolarHBondContact O-ND2 3.06Å; V1372-N1379 HydrophobicContact CG1-CB 4.09Å; V1372-N1379 VanDerWaalsContact CG1-ND2 3.25Å; V1372-N1379 WeakPolarHBondContact CG1-ND2 3.33Å; D1373-N1379 PolarHBondContact N-ND2 3.17Å; D1373-N1379 PolarHBondContact O-ND2 2.98Å; S1376-N1379 WeakPolarHBondContact CB-ND2 3.45Å; S1376-N1379 PolarHBondContact O-N 3.06Å; S1376-N1379 PolarHBondContact OG-N 3.33Å; S1376-N1379 VanDerWaalsContact OG-N 3.15Å; N1379-W1381 VanDerWaalsContact C-N 3.29Å; N1379-W1381 PolarHBondContact O-N 3.3Å; N1379-L1382 PolarHBondContact O-N 3.04Å; N1379-V1383 WeakPolarHBondContact O-CB 3.39Å; N1379-V1383 VanDerWaalsContact O-CG2 3.31Å; N1379-V1383 WeakPolarHBondContact O-CG2 3.32Å; N1379-V1383 PolarHBondContact O-N 3.16Å; N1379-V1476 HydrophobicContact CB-CG1 4.13Å; N1379-V1476 HydrophobicContact CB-CG2 4.06Å |
| 1380 | R | 90.7 | Very high | 90.5 | Very high | 136.8 Ų | 136.8 | 33.1 Ų | 33.1 | 52% | 0.516 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -61 | -38.6 | 174.8 | -85.1 | -177.9 | -76.8 | 139 | -2.1 | 111.9 | S1374 T1375 S1376 A1377 W1378 G1384 V1476 | S1374-R1380 PolarHBondContact O-NE 3.01Å; S1374-R1380 PolarHBondContact O-NH1 3.31Å; S1374-R1380 PolarHBondContact O-NH2 2.74Å; T1375-R1380 VanDerWaalsContact C-NH1 3.34Å; T1375-R1380 PolarHBondContact O-NH1 2.85Å; T1375-R1380 PolarHBondContact O-NH2 3Å; S1376-R1380 PolarHBondContact O-N 3.1Å; S1376-R1380 VanDerWaalsContact O-N 3.17Å; S1376-R1380 PolarHBondContact O-NE 3.42Å; S1376-R1380 PolarHBondContact O-NH1 2.99Å; A1377-R1380 VanDerWaalsContact CA-NH2 3.32Å; A1377-R1380 PolarHBondContact O-N 3.28Å; W1378-R1380 VanDerWaalsContact C-N 3.34Å; W1378-R1380 PolarHBondContact O-N 3.17Å; R1380-G1384 PolarHBondContact O-N 3.03Å; R1380-G1384 VanDerWaalsContact O-N 3.07Å; R1380-V1476 HydrophobicContact CB-CG2 4.43Å; R1380-V1476 HydrophobicContact CG-CG1 4Å; R1380-V1476 HydrophobicContact CG-CG2 3.64Å |
| 1381 | W | 91.8 | Very high | 91.1 | Very high | 40.4 Ų | 40.4 | 31.2 Ų | 31.2 | 15% | 0.153 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -65.7 | -46.7 | 174.4 | -178.2 | 91.9 | 0 | 0 | 0 | 111.9 | I1310 V1312 D1313 F1314 T1325 A1377 W1378 N1379 V1383 G1384 K1385 | I1310-W1381 HydrophobicContact CD1-CH2 3.68Å; I1310-W1381 HydrophobicContact CD1-CZ3 3.92Å; I1310-W1381 HydrophobicContact CG1-CH2 4.3Å; I1310-W1381 HydrophobicContact CG2-CH2 4.31Å; V1312-W1381 HydrophobicContact CB-CH2 4.48Å; V1312-W1381 HydrophobicContact CG1-CH2 4.5Å; V1312-W1381 HydrophobicContact CG2-CH2 4.21Å; V1312-W1381 HydrophobicContact CG2-CZ3 4.48Å; D1313-W1381 VanDerWaalsContact OD1-CZ2 3.29Å; D1313-W1381 WeakPolarHBondContact OD1-CZ2 3.32Å; D1313-W1381 PolarHBondContact OD1-NE1 3.22Å; D1313-W1381 VanDerWaalsContact OD1-NE1 3.11Å; F1314-W1381 HydrophobicContact CB-CD2 4.3Å; F1314-W1381 HydrophobicContact CB-CG 4.31Å; F1314-W1381 HydrophobicContact CB-CZ2 4.47Å; F1314-W1381 HydrophobicContact CD2-CB 4.13Å; F1314-W1381 AromaticContact CD2-CD1 3.64Å; F1314-W1381 HydrophobicContact CD2-CD2 4.31Å; F1314-W1381 AromaticContact CD2-CG 3.77Å; F1314-W1381 HydrophobicContact CD2-CG 3.86Å; F1314-W1381 AromaticContact CD2-NE1 3.92Å; F1314-W1381 HydrophobicContact CE2-CB 3.97Å; F1314-W1381 AromaticContact CE2-CD1 3.85Å; F1314-W1381 AromaticContact CE2-CG 3.82Å; F1314-W1381 HydrophobicContact CE2-CG 4.02Å; F1314-W1381 HydrophobicContact CG-CG 4.28Å; T1325-W1381 HydrophobicContact CG2-CH2 4.24Å; T1325-W1381 HydrophobicContact CG2-CZ3 3.86Å; A1377-W1381 WeakPolarHBondContact O-CB 3.43Å; A1377-W1381 PolarHBondContact O-N 3.14Å; W1378-W1381 AromaticContact CE3-CE3 3.96Å; W1378-W1381 HydrophobicContact CE3-CE3 4Å; W1378-W1381 HydrophobicContact CE3-CZ3 4.39Å; W1378-W1381 HydrophobicContact CH2-CE3 4.19Å; W1378-W1381 AromaticContact CH2-CZ3 3.83Å; W1378-W1381 HydrophobicContact CH2-CZ3 3.83Å; W1378-W1381 HydrophobicContact CZ3-CD2 4.43Å; W1378-W1381 AromaticContact CZ3-CE3 3.63Å; W1378-W1381 HydrophobicContact CZ3-CE3 3.63Å; W1378-W1381 HydrophobicContact CZ3-CH2 4.43Å; W1378-W1381 AromaticContact CZ3-CZ3 3.61Å; W1378-W1381 HydrophobicContact CZ3-CZ3 3.61Å; W1378-W1381 WeakPolarHBondContact O-CB 3.45Å; W1378-W1381 PolarHBondContact O-N 3.25Å; W1378-W1381 VanDerWaalsContact O-N 3.12Å; N1379-W1381 VanDerWaalsContact C-N 3.29Å; N1379-W1381 PolarHBondContact O-N 3.3Å; W1381-V1383 PolarHBondContact O-N 3.12Å; W1381-G1384 PolarHBondContact O-N 3.16Å; W1381-K1385 HydrophobicContact CD2-CG 4.48Å; W1381-K1385 HydrophobicContact CE3-CG 4.48Å; W1381-K1385 HydrophobicContact CH2-CG 4.49Å; W1381-K1385 HydrophobicContact CZ2-CD 4.49Å; W1381-K1385 HydrophobicContact CZ2-CG 4.47Å; W1381-K1385 HydrophobicContact CZ3-CG 4.46Å; W1381-K1385 WeakPolarHBondContact O-CG 3.35Å; W1381-K1385 PolarHBondContact O-N 3Å |
| 1382 | L | 93.7 | Very high | 91.4 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -57.5 | -50.2 | 175.6 | -72.3 | 175.2 | 0 | 0 | 0 | 111.7 | T1325 I1327 A1361 D1362 F1363 W1378 N1379 G1384 K1385 I1386 | T1325-L1382 HydrophobicContact CG2-CD2 3.85Å; I1327-L1382 HydrophobicContact CD1-CB 4.42Å; I1327-L1382 HydrophobicContact CD1-CD2 3.8Å; I1327-L1382 HydrophobicContact CG1-CD2 4.13Å; A1361-L1382 HydrophobicContact CB-CD1 4.06Å; A1361-L1382 HydrophobicContact CB-CD2 4.43Å; D1362-L1382 WeakPolarHBondContact O-CD1 3.46Å; F1363-L1382 HydrophobicContact CD1-CB 4.42Å; F1363-L1382 HydrophobicContact CD1-CD1 3.79Å; F1363-L1382 HydrophobicContact CE1-CB 4.04Å; F1363-L1382 HydrophobicContact CE1-CD1 4.16Å; F1363-L1382 HydrophobicContact CG-CD1 4.43Å; W1378-L1382 HydrophobicContact CD2-CD1 4.37Å; W1378-L1382 HydrophobicContact CD2-CG 4.28Å; W1378-L1382 HydrophobicContact CG-CD1 4.45Å; W1378-L1382 HydrophobicContact CH2-CD2 4.12Å; W1378-L1382 HydrophobicContact CH2-CG 4.44Å; W1378-L1382 HydrophobicContact CZ2-CD1 3.95Å; W1378-L1382 HydrophobicContact CZ2-CD2 3.79Å; W1378-L1382 HydrophobicContact CZ2-CG 4.07Å; W1378-L1382 VanDerWaalsContact NE1-CD1 3.28Å; W1378-L1382 WeakPolarHBondContact O-CG 3.2Å; W1378-L1382 PolarHBondContact O-N 3.06Å; N1379-L1382 PolarHBondContact O-N 3.04Å; L1382-G1384 VanDerWaalsContact C-N 3.27Å; L1382-G1384 PolarHBondContact O-N 3.26Å; L1382-K1385 WeakPolarHBondContact O-CB 3.4Å; L1382-K1385 PolarHBondContact O-N 3.06Å; L1382-I1386 PolarHBondContact O-N 3.33Å |
| 1383 | V | 94 | Very high | 91.7 | Very high | 5 Ų | 5 | 29.8 Ų | 29.8 | 3% | 0.03 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -59 | -40.4 | 178.5 | 171.7 | 0 | 0 | 0 | 0 | 111.2 | F1363 N1379 W1381 K1385 I1386 P1387 V1476 F1477 L1480 | F1363-V1383 HydrophobicContact CE1-CG2 4Å; F1363-V1383 HydrophobicContact CZ-CG2 4.34Å; N1379-V1383 WeakPolarHBondContact O-CB 3.39Å; N1379-V1383 VanDerWaalsContact O-CG2 3.31Å; N1379-V1383 WeakPolarHBondContact O-CG2 3.32Å; N1379-V1383 PolarHBondContact O-N 3.16Å; W1381-V1383 PolarHBondContact O-N 3.12Å; V1383-K1385 PolarHBondContact O-N 2.98Å; V1383-K1385 VanDerWaalsContact O-N 3.14Å; V1383-I1386 HydrophobicContact CB-CD1 4.46Å; V1383-I1386 HydrophobicContact CG2-CD1 4.44Å; V1383-I1386 WeakPolarHBondContact O-CB 3.38Å; V1383-I1386 PolarHBondContact O-N 3.04Å; V1383-I1386 VanDerWaalsContact O-N 3.15Å; V1383-P1387 WeakPolarHBondContact O-CD 3.39Å; V1383-V1476 HydrophobicContact CB-CG1 4.05Å; V1383-V1476 HydrophobicContact CG2-CB 4.45Å; V1383-V1476 HydrophobicContact CG2-CG1 4.02Å; V1383-V1476 HydrophobicContact CG2-CG2 4.27Å; V1383-F1477 HydrophobicContact CG1-CD1 4.26Å; V1383-F1477 HydrophobicContact CG2-CD1 3.73Å; V1383-F1477 HydrophobicContact CG2-CE1 3.53Å; V1383-F1477 VanDerWaalsContact CG2-CE1 3.48Å; V1383-F1477 HydrophobicContact CG2-CZ 4.21Å; V1383-L1480 HydrophobicContact CG1-CB 4.19Å; V1383-L1480 HydrophobicContact CG1-CD1 4.29Å; V1383-L1480 HydrophobicContact CG1-CD2 4.29Å; V1383-L1480 HydrophobicContact CG1-CG 4.48Å |
| 1384 | G | 92.6 | Very high | 92 | Very high | 34.4 Ų | 34.4 | 28.1 Ų | 28.1 | 36% | 0.355 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -64.6 | -14.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 115 | R1380 W1381 L1382 | R1380-G1384 PolarHBondContact O-N 3.03Å; R1380-G1384 VanDerWaalsContact O-N 3.07Å; W1381-G1384 PolarHBondContact O-N 3.16Å; L1382-G1384 VanDerWaalsContact C-N 3.27Å; L1382-G1384 PolarHBondContact O-N 3.26Å |
| 1385 | K | 94.1 | Very high | 92.3 | Very high | 57.4 Ų | 57.4 | 28.8 Ų | 28.8 | 25% | 0.25 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -86.7 | -26.8 | 173.9 | -60.4 | -59.1 | -177.4 | 173 | 0 | 113.2 | I1310 D1313 I1327 W1381 L1382 V1383 P1387 N1388 I1389 | I1310-K1385 HydrophobicContact CD1-CB 4.24Å; I1310-K1385 HydrophobicContact CD1-CG 4.2Å; D1313-K1385 IonicContact OD1-NZ 2.73Å; I1327-K1385 HydrophobicContact CD1-CB 3.95Å; I1327-K1385 HydrophobicContact CD1-CG 4.47Å; W1381-K1385 HydrophobicContact CD2-CG 4.48Å; W1381-K1385 HydrophobicContact CE3-CG 4.48Å; W1381-K1385 HydrophobicContact CH2-CG 4.49Å; W1381-K1385 HydrophobicContact CZ2-CD 4.49Å; W1381-K1385 HydrophobicContact CZ2-CG 4.47Å; W1381-K1385 HydrophobicContact CZ3-CG 4.46Å; W1381-K1385 WeakPolarHBondContact O-CG 3.35Å; W1381-K1385 PolarHBondContact O-N 3Å; L1382-K1385 WeakPolarHBondContact O-CB 3.4Å; L1382-K1385 PolarHBondContact O-N 3.06Å; V1383-K1385 PolarHBondContact O-N 2.98Å; V1383-K1385 VanDerWaalsContact O-N 3.14Å; K1385-P1387 VanDerWaalsContact C-CD 3.48Å; K1385-P1387 VanDerWaalsContact C-N 3.32Å; K1385-P1387 VanDerWaalsContact O-N 3.12Å; K1385-N1388 WeakPolarHBondContact O-CB 3.31Å; K1385-N1388 PolarHBondContact O-N 3.18Å; K1385-N1388 VanDerWaalsContact O-N 3.08Å; K1385-I1389 HydrophobicContact CB-CD1 4.08Å; K1385-I1389 WeakPolarHBondContact O-CG1 3.22Å; K1385-I1389 PolarHBondContact O-N 3.1Å; K1385-I1389 VanDerWaalsContact O-N 3.13Å |
| 1386 | I | 95.8 | Very high | 92.6 | Very high | 0.2 Ų | 0.2 | 24.5 Ų | 24.5 | 0% | 0.001 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -52.1 | -43.5 | -174.7 | -64.3 | 171.5 | 0 | 0 | 0 | 113.5 | I1327 L1329 I1359 L1382 V1383 N1388 I1389 F1390 F1477 L1480 | I1327-I1386 HydrophobicContact CG2-CG1 4.39Å; L1329-I1386 HydrophobicContact CD2-CG2 4.27Å; I1359-I1386 HydrophobicContact CD1-CD1 4.37Å; I1359-I1386 HydrophobicContact CG2-CD1 3.69Å; I1359-I1386 HydrophobicContact CG2-CG1 4.48Å; L1382-I1386 PolarHBondContact O-N 3.33Å; V1383-I1386 HydrophobicContact CB-CD1 4.46Å; V1383-I1386 HydrophobicContact CG2-CD1 4.44Å; V1383-I1386 WeakPolarHBondContact O-CB 3.38Å; V1383-I1386 PolarHBondContact O-N 3.04Å; V1383-I1386 VanDerWaalsContact O-N 3.15Å; I1386-N1388 VanDerWaalsContact C-N 3.28Å; I1386-N1388 PolarHBondContact O-N 2.99Å; I1386-I1389 PolarHBondContact O-N 3.04Å; I1386-F1390 WeakPolarHBondContact O-CB 3.34Å; I1386-F1390 PolarHBondContact O-N 3.3Å; I1386-F1477 HydrophobicContact CD1-CE1 4.38Å; I1386-L1480 HydrophobicContact CB-CD1 3.99Å; I1386-L1480 HydrophobicContact CB-CD2 4.47Å; I1386-L1480 HydrophobicContact CD1-CD2 3.96Å; I1386-L1480 HydrophobicContact CG2-CD1 4.03Å; I1386-L1480 HydrophobicContact CG2-CD2 4.2Å |
| 1387 | P | 94.9 | Very high | 92.8 | Very high | 8.2 Ų | 8.2 | 24.1 Ų | 24.1 | 5% | 0.053 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -61 | -33.9 | 179 | -23.8 | 33.5 | 0 | 0 | 0 | 114 | V1383 K1385 S1391 L1480 Q1483 L1484 K1487 | V1383-P1387 WeakPolarHBondContact O-CD 3.39Å; K1385-P1387 VanDerWaalsContact C-CD 3.48Å; K1385-P1387 VanDerWaalsContact C-N 3.32Å; K1385-P1387 VanDerWaalsContact O-N 3.12Å; P1387-S1391 PolarHBondContact O-N 3.19Å; P1387-S1391 VanDerWaalsContact O-N 3.17Å; P1387-S1391 PolarHBondContact O-OG 3.4Å; P1387-L1480 HydrophobicContact CG-CD1 3.84Å; P1387-Q1483 HydrophobicContact CB-CB 4.41Å; P1387-Q1483 HydrophobicContact CG-CB 3.63Å; P1387-L1484 HydrophobicContact CB-CD2 4.45Å; P1387-K1487 HydrophobicContact CB-CB 4.2Å; P1387-K1487 HydrophobicContact CB-CG 4.37Å; P1387-K1487 WeakPolarHBondContact O-CG 3.41Å |
| 1388 | N | 93.5 | Very high | 92.9 | Very high | 65 Ų | 65 | 27.5 Ų | 27.5 | 35% | 0.348 | 14% | 0.135 | S | C | . | . | H | α-helix | trans | -70.6 | -49.5 | 176 | -65.1 | -43.1 | 0 | 0 | 0 | 110.1 | K1385 I1386 F1390 S1391 D1392 K1487 | K1385-N1388 WeakPolarHBondContact O-CB 3.31Å; K1385-N1388 PolarHBondContact O-N 3.18Å; K1385-N1388 VanDerWaalsContact O-N 3.08Å; I1386-N1388 VanDerWaalsContact C-N 3.28Å; I1386-N1388 PolarHBondContact O-N 2.99Å; N1388-F1390 PolarHBondContact O-N 3.09Å; N1388-F1390 VanDerWaalsContact O-N 3.11Å; N1388-S1391 CarbonylContact O-C 3.53Å; N1388-S1391 VanDerWaalsContact O-CA 3.29Å; N1388-S1391 WeakPolarHBondContact O-CA 3.36Å; N1388-S1391 VanDerWaalsContact O-CB 3.24Å; N1388-S1391 WeakPolarHBondContact O-CB 3.41Å; N1388-S1391 PolarHBondContact O-N 3.21Å; N1388-D1392 VanDerWaalsContact C-OD2 3.28Å; N1388-D1392 VanDerWaalsContact O-CG 3.3Å; N1388-D1392 PolarHBondContact O-N 2.97Å; N1388-D1392 VanDerWaalsContact O-OD2 3.08Å; N1388-K1487 WeakPolarHBondContact OD1-CE 3.32Å; N1388-K1487 PolarHBondContact OD1-NZ 3.07Å |
| 1389 | I | 94.7 | Very high | 92.8 | Very high | 0.8 Ų | 0.8 | 33.9 Ų | 33.9 | 0% | 0.004 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -57.9 | -37.2 | 178.5 | -60.2 | 161.7 | 0 | 0 | 0 | 111.7 | F1306 E1308 I1310 I1327 L1329 K1385 I1386 S1391 D1392 M1393 | F1306-I1389 HydrophobicContact CD1-CG2 3.95Å; F1306-I1389 HydrophobicContact CE1-CG2 3.95Å; E1308-I1389 HydrophobicContact CB-CG1 4.36Å; E1308-I1389 HydrophobicContact CB-CG2 4.3Å; E1308-I1389 HydrophobicContact CG-CG1 4.27Å; E1308-I1389 HydrophobicContact CG-CG2 4.23Å; E1308-I1389 WeakPolarHBondContact OE2-CG1 3.27Å; I1310-I1389 HydrophobicContact CD1-CD1 3.7Å; I1310-I1389 HydrophobicContact CD1-CG1 4.04Å; I1327-I1389 HydrophobicContact CB-CD1 3.51Å; I1327-I1389 VanDerWaalsContact CB-CD1 3.46Å; I1327-I1389 HydrophobicContact CD1-CD1 3.67Å; I1327-I1389 HydrophobicContact CG1-CD1 4.12Å; I1327-I1389 HydrophobicContact CG2-CD1 3.47Å; I1327-I1389 VanDerWaalsContact CG2-CD1 3.46Å; L1329-I1389 HydrophobicContact CD1-CB 4.49Å; L1329-I1389 HydrophobicContact CD1-CG2 3.96Å; L1329-I1389 HydrophobicContact CG-CG2 4.2Å; K1385-I1389 HydrophobicContact CB-CD1 4.08Å; K1385-I1389 WeakPolarHBondContact O-CG1 3.22Å; K1385-I1389 PolarHBondContact O-N 3.1Å; K1385-I1389 VanDerWaalsContact O-N 3.13Å; I1386-I1389 PolarHBondContact O-N 3.04Å; I1389-S1391 VanDerWaalsContact C-N 3.33Å; I1389-S1391 PolarHBondContact O-N 2.8Å; I1389-D1392 PolarHBondContact O-N 3.27Å; I1389-M1393 VanDerWaalsContact O-CB 3.24Å; I1389-M1393 WeakPolarHBondContact O-CB 3.33Å; I1389-M1393 PolarHBondContact O-N 3.05Å |
| 1390 | F | 95.4 | Very high | 92.7 | Very high | 0.4 Ų | 0.4 | 34.2 Ų | 34.2 | 0% | 0.002 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -65.9 | -37.4 | 175.1 | -155.1 | -69.8 | 0 | 0 | 0 | 111.8 | L1329 F1357 I1386 N1388 M1393 I1394 I1429 L1433 L1484 L1488 | L1329-F1390 HydrophobicContact CD1-CB 3.95Å; L1329-F1390 HydrophobicContact CD1-CD2 3.7Å; L1329-F1390 HydrophobicContact CD1-CE2 4.48Å; L1329-F1390 HydrophobicContact CD1-CG 4.11Å; F1357-F1390 HydrophobicContact CD1-CE2 4.17Å; F1357-F1390 HydrophobicContact CD2-CE2 4.07Å; F1357-F1390 AromaticContact CE1-CE2 3.96Å; F1357-F1390 HydrophobicContact CE1-CE2 3.97Å; F1357-F1390 HydrophobicContact CE2-CD2 4.08Å; F1357-F1390 AromaticContact CE2-CE2 3.85Å; F1357-F1390 HydrophobicContact CE2-CE2 3.85Å; F1357-F1390 HydrophobicContact CG-CE2 4.23Å; F1357-F1390 HydrophobicContact CZ-CD2 4.18Å; F1357-F1390 AromaticContact CZ-CE2 3.81Å; F1357-F1390 HydrophobicContact CZ-CE2 3.81Å; I1386-F1390 WeakPolarHBondContact O-CB 3.34Å; I1386-F1390 PolarHBondContact O-N 3.3Å; N1388-F1390 PolarHBondContact O-N 3.09Å; N1388-F1390 VanDerWaalsContact O-N 3.11Å; F1390-M1393 HydrophobicContact CD1-CE 3.84Å; F1390-M1393 HydrophobicContact CD2-CE 4.28Å; F1390-M1393 HydrophobicContact CE1-CE 3.66Å; F1390-M1393 VanDerWaalsContact CE1-CE 3.5Å; F1390-M1393 HydrophobicContact CE2-CE 4.11Å; F1390-M1393 HydrophobicContact CG-CE 4.14Å; F1390-M1393 HydrophobicContact CZ-CE 3.8Å; F1390-M1393 WeakPolarHBondContact O-CB 3.39Å; F1390-I1394 HydrophobicContact CD1-CD1 3.86Å; F1390-I1394 HydrophobicContact CD1-CG1 4.41Å; F1390-I1394 HydrophobicContact CE1-CD1 4Å; F1390-I1394 HydrophobicContact CE1-CG1 4.48Å; F1390-I1394 WeakPolarHBondContact O-CD1 3.45Å; F1390-I1394 VanDerWaalsContact O-CG1 3.32Å; F1390-I1394 WeakPolarHBondContact O-CG1 3.43Å; F1390-I1394 PolarHBondContact O-N 2.93Å; F1390-I1429 HydrophobicContact CE1-CG2 3.7Å; F1390-I1429 HydrophobicContact CZ-CG2 3.95Å; F1390-L1433 HydrophobicContact CE1-CD2 4.12Å; F1390-L1433 HydrophobicContact CZ-CD2 3.97Å; F1390-L1484 HydrophobicContact CB-CD2 3.77Å; F1390-L1484 HydrophobicContact CD1-CD2 4.46Å; F1390-L1484 HydrophobicContact CD2-CD2 3.87Å; F1390-L1484 HydrophobicContact CG-CD2 3.8Å; F1390-L1488 HydrophobicContact CD1-CD1 3.84Å; F1390-L1488 HydrophobicContact CD1-CD2 4.05Å; F1390-L1488 HydrophobicContact CD1-CG 4.5Å; F1390-L1488 HydrophobicContact CE1-CD1 3.93Å |
| 1391 | S | 93.6 | Very high | 92.5 | Very high | 6 Ų | 6 | 31 Ų | 31 | 4% | 0.042 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -66.9 | -42.8 | 172.5 | -159.4 | 0 | 0 | 0 | 0 | 111.5 | P1387 N1388 I1389 M1393 I1394 E1395 K1487 L1491 | P1387-S1391 PolarHBondContact O-N 3.19Å; P1387-S1391 VanDerWaalsContact O-N 3.17Å; P1387-S1391 PolarHBondContact O-OG 3.4Å; N1388-S1391 CarbonylContact O-C 3.53Å; N1388-S1391 VanDerWaalsContact O-CA 3.29Å; N1388-S1391 WeakPolarHBondContact O-CA 3.36Å; N1388-S1391 VanDerWaalsContact O-CB 3.24Å; N1388-S1391 WeakPolarHBondContact O-CB 3.41Å; N1388-S1391 PolarHBondContact O-N 3.21Å; I1389-S1391 VanDerWaalsContact C-N 3.33Å; I1389-S1391 PolarHBondContact O-N 2.8Å; S1391-M1393 VanDerWaalsContact C-N 3.31Å; S1391-M1393 PolarHBondContact O-N 3.07Å; S1391-I1394 WeakPolarHBondContact O-CB 3.35Å; S1391-I1394 PolarHBondContact O-N 3.03Å; S1391-I1394 VanDerWaalsContact O-N 3.16Å; S1391-E1395 PolarHBondContact O-N 2.93Å; S1391-K1487 VanDerWaalsContact OG-CE 3.28Å; S1391-K1487 WeakPolarHBondContact OG-CE 3.41Å; S1391-L1491 WeakPolarHBondContact OG-CD2 3.34Å |
| 1392 | D | 93.3 | Very high | 92.1 | Very high | 31.4 Ų | 31.4 | 35.6 Ų | 35.6 | 17% | 0.168 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -68.5 | -33.4 | -179.5 | -58.8 | -35.5 | 0 | 0 | 0 | 111 | F1306 E1308 N1388 I1389 I1394 E1395 C1396 | F1306-D1392 HydrophobicContact CE1-CB 4.2Å; F1306-D1392 HydrophobicContact CZ-CB 4.16Å; E1308-D1392 WeakPolarHBondContact OE1-CB 3.36Å; E1308-D1392 WeakPolarHBondContact OE2-CB 3.06Å; N1388-D1392 VanDerWaalsContact C-OD2 3.28Å; N1388-D1392 VanDerWaalsContact O-CG 3.3Å; N1388-D1392 PolarHBondContact O-N 2.97Å; N1388-D1392 VanDerWaalsContact O-OD2 3.08Å; I1389-D1392 PolarHBondContact O-N 3.27Å; D1392-I1394 VanDerWaalsContact C-N 3.35Å; D1392-I1394 PolarHBondContact O-N 3.03Å; D1392-E1395 PolarHBondContact O-N 3.1Å; D1392-C1396 VanDerWaalsContact O-CB 3.27Å; D1392-C1396 WeakPolarHBondContact O-CB 3.4Å; D1392-C1396 PolarHBondContact O-N 3.04Å |
| 1393 | M | 94.7 | Very high | 91.6 | Very high | 0.4 Ų | 0.4 | 39.5 Ų | 39.5 | 0% | 0.002 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -58.6 | -46.7 | 168.6 | 178.6 | -176.6 | 73 | 0 | 0 | 111.6 | F1304 F1306 L1329 I1331 I1389 F1390 S1391 C1396 I1397 I1429 | F1304-M1393 HydrophobicContact CD1-SD 4.49Å; F1304-M1393 HydrophobicContact CE1-CG 3.8Å; F1304-M1393 HydrophobicContact CE1-SD 4.01Å; F1304-M1393 HydrophobicContact CZ-CG 4.44Å; F1306-M1393 HydrophobicContact CB-CB 4.02Å; F1306-M1393 HydrophobicContact CB-CG 3.63Å; F1306-M1393 HydrophobicContact CB-SD 4.06Å; F1306-M1393 HydrophobicContact CD1-CB 3.54Å; F1306-M1393 HydrophobicContact CD1-CG 4.15Å; F1306-M1393 HydrophobicContact CD2-CB 4.29Å; F1306-M1393 HydrophobicContact CD2-CG 4.4Å; F1306-M1393 HydrophobicContact CE1-CB 4Å; F1306-M1393 HydrophobicContact CG-CB 3.68Å; F1306-M1393 HydrophobicContact CG-CG 3.82Å; L1329-M1393 HydrophobicContact CB-SD 4.28Å; L1329-M1393 HydrophobicContact CD1-CE 4.49Å; L1329-M1393 HydrophobicContact CD1-SD 4.39Å; I1331-M1393 HydrophobicContact CD1-CE 4.01Å; I1331-M1393 HydrophobicContact CD1-SD 4.29Å; I1389-M1393 VanDerWaalsContact O-CB 3.24Å; I1389-M1393 WeakPolarHBondContact O-CB 3.33Å; I1389-M1393 PolarHBondContact O-N 3.05Å; F1390-M1393 HydrophobicContact CD1-CE 3.84Å; F1390-M1393 HydrophobicContact CD2-CE 4.28Å; F1390-M1393 HydrophobicContact CE1-CE 3.66Å; F1390-M1393 VanDerWaalsContact CE1-CE 3.5Å; F1390-M1393 HydrophobicContact CE2-CE 4.11Å; F1390-M1393 HydrophobicContact CG-CE 4.14Å; F1390-M1393 HydrophobicContact CZ-CE 3.8Å; F1390-M1393 WeakPolarHBondContact O-CB 3.39Å; S1391-M1393 VanDerWaalsContact C-N 3.31Å; S1391-M1393 PolarHBondContact O-N 3.07Å; M1393-C1396 WeakPolarHBondContact O-CB 3.3Å; M1393-C1396 PolarHBondContact O-N 2.95Å; M1393-I1397 HydrophobicContact CG-CD1 4.25Å; M1393-I1397 VanDerWaalsContact O-CG1 3.31Å; M1393-I1397 WeakPolarHBondContact O-CG1 3.31Å; M1393-I1397 PolarHBondContact O-N 3.14Å; M1393-I1429 HydrophobicContact CE-CD1 4.36Å; M1393-I1429 HydrophobicContact CE-CG1 4.48Å |
| 1394 | I | 93.7 | Very high | 91.2 | Very high | 7.6 Ų | 7.6 | 39.8 Ų | 39.8 | 4% | 0.039 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -65.3 | -45.3 | 179.3 | -71.5 | 165 | 0 | 0 | 0 | 110.7 | F1390 S1391 D1392 C1396 I1397 E1398 I1429 L1488 L1491 W1493 | F1390-I1394 HydrophobicContact CD1-CD1 3.86Å; F1390-I1394 HydrophobicContact CD1-CG1 4.41Å; F1390-I1394 HydrophobicContact CE1-CD1 4Å; F1390-I1394 HydrophobicContact CE1-CG1 4.48Å; F1390-I1394 WeakPolarHBondContact O-CD1 3.45Å; F1390-I1394 VanDerWaalsContact O-CG1 3.32Å; F1390-I1394 WeakPolarHBondContact O-CG1 3.43Å; F1390-I1394 PolarHBondContact O-N 2.93Å; S1391-I1394 WeakPolarHBondContact O-CB 3.35Å; S1391-I1394 PolarHBondContact O-N 3.03Å; S1391-I1394 VanDerWaalsContact O-N 3.16Å; D1392-I1394 VanDerWaalsContact C-N 3.35Å; D1392-I1394 PolarHBondContact O-N 3.03Å; I1394-C1396 VanDerWaalsContact C-N 3.27Å; I1394-C1396 PolarHBondContact O-N 3.13Å; I1394-I1397 WeakPolarHBondContact O-CB 3.45Å; I1394-I1397 PolarHBondContact O-N 3.06Å; I1394-I1397 VanDerWaalsContact O-N 3.14Å; I1394-E1398 PolarHBondContact O-N 3.27Å; I1394-E1398 VanDerWaalsContact O-N 3.09Å; I1394-I1429 HydrophobicContact CG1-CD1 4.49Å; I1394-L1488 HydrophobicContact CD1-CD2 3.54Å; I1394-L1488 VanDerWaalsContact CD1-CD2 3.49Å; I1394-L1491 HydrophobicContact CB-CD2 4.23Å; I1394-L1491 HydrophobicContact CD1-CD2 4.16Å; I1394-L1491 HydrophobicContact CG2-CD2 3.95Å; I1394-W1493 HydrophobicContact CD1-CD2 3.8Å; I1394-W1493 HydrophobicContact CD1-CE3 3.76Å; I1394-W1493 HydrophobicContact CD1-CG 4.36Å; I1394-W1493 HydrophobicContact CD1-CH2 4.23Å; I1394-W1493 HydrophobicContact CD1-CZ2 4.26Å; I1394-W1493 HydrophobicContact CD1-CZ3 3.97Å; I1394-W1493 HydrophobicContact CG1-CD2 4.46Å; I1394-W1493 HydrophobicContact CG1-CE3 4.06Å; I1394-W1493 HydrophobicContact CG1-CZ3 4.29Å; I1394-W1493 HydrophobicContact CG2-CB 3.37Å; I1394-W1493 VanDerWaalsContact CG2-CB 3.45Å; I1394-W1493 HydrophobicContact CG2-CD2 3.95Å; I1394-W1493 HydrophobicContact CG2-CE3 3.82Å; I1394-W1493 HydrophobicContact CG2-CG 3.79Å |
| 1395 | E | 90.9 | Very high | 90.8 | Very high | 69.8 Ų | 69.8 | 39 Ų | 39 | 33% | 0.326 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -61.9 | -35.9 | 175.3 | -159.4 | -177.7 | 166.2 | 0 | 0 | 111.9 | S1391 D1392 I1397 E1398 K1399 | S1391-E1395 PolarHBondContact O-N 2.93Å; D1392-E1395 PolarHBondContact O-N 3.1Å; E1395-I1397 VanDerWaalsContact C-N 3.35Å; E1395-E1398 PolarHBondContact O-N 3.14Å; E1395-K1399 HydrophobicContact CG-CD 4.39Å; E1395-K1399 WeakPolarHBondContact O-CB 3.12Å; E1395-K1399 WeakPolarHBondContact O-CD 3.35Å; E1395-K1399 VanDerWaalsContact O-CG 3.28Å; E1395-K1399 WeakPolarHBondContact O-CG 3.38Å; E1395-K1399 PolarHBondContact O-N 3.04Å; E1395-K1399 WeakPolarHBondContact OE1-CE 3.31Å; E1395-K1399 IonicContact OE1-NZ 3.45Å; E1395-K1399 PolarHBondContact OE1-NZ 3.05Å; E1395-K1399 IonicContact OE2-NZ 3.51Å; E1395-K1399 PolarHBondContact OE2-NZ 3.22Å; E1395-K1399 VanDerWaalsContact OE2-NZ 3.11Å |
| 1396 | C | 91.3 | Very high | 89.8 | Confident | 12.2 Ų | 12.2 | 38.9 Ų | 38.9 | 8% | 0.082 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -63.2 | -44.7 | 173.8 | -175.6 | 0 | 0 | 0 | 0 | 111.3 | S1263 F1306 D1392 M1393 I1394 E1398 K1399 L1400 | S1263-C1396 PolarHBondContact OG-SG 2.96Å; S1263-C1396 VanDerWaalsContact OG-SG 3.38Å; F1306-C1396 HydrophobicContact CD2-CB 4.14Å; F1306-C1396 HydrophobicContact CE2-CB 3.59Å; F1306-C1396 HydrophobicContact CZ-CB 4.37Å; D1392-C1396 VanDerWaalsContact O-CB 3.27Å; D1392-C1396 WeakPolarHBondContact O-CB 3.4Å; D1392-C1396 PolarHBondContact O-N 3.04Å; M1393-C1396 WeakPolarHBondContact O-CB 3.3Å; M1393-C1396 PolarHBondContact O-N 2.95Å; I1394-C1396 VanDerWaalsContact C-N 3.27Å; I1394-C1396 PolarHBondContact O-N 3.13Å; C1396-E1398 VanDerWaalsContact C-N 3.3Å; C1396-E1398 PolarHBondContact O-N 3.12Å; C1396-K1399 CarbonylContact O-C 3.56Å; C1396-K1399 PolarHBondContact O-N 3.26Å; C1396-K1399 VanDerWaalsContact O-N 3.12Å; C1396-L1400 WeakPolarHBondContact O-CG 3.29Å; C1396-L1400 PolarHBondContact O-N 3.08Å; C1396-L1400 VanDerWaalsContact O-N 3.08Å |
| 1397 | I | 91.1 | Very high | 88.5 | Confident | 1.4 Ų | 1.4 | 41.4 Ų | 41.4 | 1% | 0.007 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -62 | -40 | 178.4 | -70.1 | 166.7 | 0 | 0 | 0 | 111.5 | F1304 M1393 I1394 E1395 K1399 L1400 F1405 R1422 L1425 I1429 | F1304-I1397 HydrophobicContact CD1-CD1 4.45Å; F1304-I1397 HydrophobicContact CE1-CD1 3.72Å; F1304-I1397 HydrophobicContact CE1-CG1 4.04Å; F1304-I1397 HydrophobicContact CE2-CG1 4.38Å; F1304-I1397 HydrophobicContact CZ-CD1 3.87Å; F1304-I1397 HydrophobicContact CZ-CG1 3.64Å; M1393-I1397 HydrophobicContact CG-CD1 4.25Å; M1393-I1397 VanDerWaalsContact O-CG1 3.31Å; M1393-I1397 WeakPolarHBondContact O-CG1 3.31Å; M1393-I1397 PolarHBondContact O-N 3.14Å; I1394-I1397 WeakPolarHBondContact O-CB 3.45Å; I1394-I1397 PolarHBondContact O-N 3.06Å; I1394-I1397 VanDerWaalsContact O-N 3.14Å; E1395-I1397 VanDerWaalsContact C-N 3.35Å; I1397-K1399 VanDerWaalsContact C-N 3.27Å; I1397-K1399 PolarHBondContact O-N 2.99Å; I1397-L1400 PolarHBondContact O-N 3.18Å; I1397-F1405 HydrophobicContact CG2-CE1 4.37Å; I1397-F1405 HydrophobicContact CG2-CZ 4.13Å; I1397-F1405 WeakPolarHBondContact O-CZ 3.48Å; I1397-R1422 HydrophobicContact CG2-CG 4.2Å; I1397-R1422 PolarHBondContact O-NE 3.19Å; I1397-L1425 HydrophobicContact CD1-CD2 4Å; I1397-L1425 HydrophobicContact CD1-CG 4.45Å; I1397-L1425 HydrophobicContact CG1-CD2 4.24Å; I1397-L1425 HydrophobicContact CG2-CD2 4.03Å; I1397-I1429 HydrophobicContact CD1-CD1 3.39Å |
| 1398 | E | 88.5 | Confident | 86.9 | Confident | 95.6 Ų | 95.6 | 44.7 Ų | 44.7 | 45% | 0.447 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -57.9 | -40.4 | 174.2 | -171 | -175.3 | 172.8 | 0 | 0 | 111.4 | I1394 E1395 C1396 L1400 Y1512 | I1394-E1398 PolarHBondContact O-N 3.27Å; I1394-E1398 VanDerWaalsContact O-N 3.09Å; E1395-E1398 PolarHBondContact O-N 3.14Å; C1396-E1398 VanDerWaalsContact C-N 3.3Å; C1396-E1398 PolarHBondContact O-N 3.12Å; E1398-L1400 PolarHBondContact O-N 3.16Å; E1398-Y1512 HydrophobicContact CG-CD2 4.46Å; E1398-Y1512 HydrophobicContact CG-CE2 4.27Å |
| 1399 | K | 88.1 | Confident | 85.1 | Confident | 139.6 Ų | 139.6 | 47.7 Ų | 47.7 | 61% | 0.607 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -85.2 | -6.5 | -177.3 | -66.2 | 172.1 | -173.1 | 170.6 | 0 | 114.8 | E1395 C1396 I1397 | E1395-K1399 HydrophobicContact CG-CD 4.39Å; E1395-K1399 WeakPolarHBondContact O-CB 3.12Å; E1395-K1399 WeakPolarHBondContact O-CD 3.35Å; E1395-K1399 VanDerWaalsContact O-CG 3.28Å; E1395-K1399 WeakPolarHBondContact O-CG 3.38Å; E1395-K1399 PolarHBondContact O-N 3.04Å; E1395-K1399 WeakPolarHBondContact OE1-CE 3.31Å; E1395-K1399 IonicContact OE1-NZ 3.45Å; E1395-K1399 PolarHBondContact OE1-NZ 3.05Å; E1395-K1399 IonicContact OE2-NZ 3.51Å; E1395-K1399 PolarHBondContact OE2-NZ 3.22Å; E1395-K1399 VanDerWaalsContact OE2-NZ 3.11Å; C1396-K1399 CarbonylContact O-C 3.56Å; C1396-K1399 PolarHBondContact O-N 3.26Å; C1396-K1399 VanDerWaalsContact O-N 3.12Å; I1397-K1399 VanDerWaalsContact C-N 3.27Å; I1397-K1399 PolarHBondContact O-N 2.99Å |
| 1400 | L | 89.4 | Confident | 83.1 | Confident | 4.8 Ų | 4.8 | 53.5 Ų | 53.5 | 3% | 0.025 | 28% | 0.284 | C | S | . | . | S | Bend | trans | -66.1 | 140 | 178.9 | -79.1 | 176.8 | 0 | 0 | 0 | 111.3 | L1262 F1304 C1396 I1397 E1398 C1404 F1405 L1418 R1422 | L1262-L1400 HydrophobicContact CB-CD2 4Å; L1262-L1400 HydrophobicContact CD1-CD1 4.23Å; F1304-L1400 HydrophobicContact CE2-CD1 4.32Å; C1396-L1400 WeakPolarHBondContact O-CG 3.29Å; C1396-L1400 PolarHBondContact O-N 3.08Å; C1396-L1400 VanDerWaalsContact O-N 3.08Å; I1397-L1400 PolarHBondContact O-N 3.18Å; E1398-L1400 PolarHBondContact O-N 3.16Å; L1400-C1404 HydrophobicContact CB-CB 4.48Å; L1400-F1405 HydrophobicContact CB-CE2 3.64Å; L1400-F1405 HydrophobicContact CB-CZ 3.81Å; L1400-F1405 HydrophobicContact CD1-CZ 4.12Å; L1400-L1418 HydrophobicContact CD1-CD1 4.46Å; L1400-R1422 PolarHBondContact O-NH2 2.96Å |
| 1401 | P | 86.7 | Confident | 80.9 | Confident | 70.2 Ų | 70.2 | 56.3 Ų | 56.3 | 46% | 0.456 | 30% | 0.304 | S | S | . | . | trans | -60.1 | 148 | 176.7 | -14.2 | 21.6 | 0 | 0 | 0 | 112.7 | S1403 C1404 F1405 | P1401-S1403 PolarHBondContact O-N 3.03Å; P1401-S1403 VanDerWaalsContact O-N 3.11Å; P1401-C1404 VanDerWaalsContact O-CB 3.3Å; P1401-C1404 WeakPolarHBondContact O-CB 3.42Å; P1401-C1404 PolarHBondContact O-N 3.14Å; P1401-C1404 PolarHBondContact O-SG 3.18Å; P1401-C1404 VanDerWaalsContact O-SG 3.42Å; P1401-F1405 WeakPolarHBondContact O-CD2 3.21Å | ||
| 1402 | E | 84.4 | Confident | 78.7 | Confident | 137.8 Ų | 137.8 | 60.5 Ų | 60.5 | 64% | 0.644 | 33% | 0.333 | S | S | * | . | G | 310 helix | trans | -55.3 | -30.5 | 177.7 | -66.3 | -100.7 | 145.8 | 0 | 0 | 113.4 | C1404 F1405 R1422 | E1402-C1404 PolarHBondContact O-N 3.03Å; E1402-C1404 VanDerWaalsContact O-N 3.11Å; E1402-F1405 PolarHBondContact O-N 3.18Å; E1402-R1422 VanDerWaalsContact CD-NH2 3.28Å; E1402-R1422 IonicContact OE1-CZ 3.6Å; E1402-R1422 VanDerWaalsContact OE1-CZ 3.23Å; E1402-R1422 IonicContact OE1-NH1 3.69Å; E1402-R1422 PolarHBondContact OE1-NH1 2.99Å; E1402-R1422 IonicContact OE1-NH2 3.11Å; E1402-R1422 PolarHBondContact OE1-NH2 2.99Å; E1402-R1422 IonicContact OE2-CZ 2.72Å; E1402-R1422 IonicContact OE2-NH1 3.01Å; E1402-R1422 PolarHBondContact OE2-NH1 3.08Å; E1402-R1422 IonicContact OE2-NH2 3.59Å; E1402-R1422 PolarHBondContact OE2-NH2 3.3Å |
| 1403 | S | 83.8 | Confident | 76.4 | Confident | 81.2 Ų | 81.2 | 67.4 Ų | 67.4 | 57% | 0.568 | 36% | 0.362 | S | S | * | . | G | 310 helix | trans | -61.2 | -16.4 | 176.1 | 56.6 | 0 | 0 | 0 | 0 | 114.2 | P1401 F1405 T1406 | P1401-S1403 PolarHBondContact O-N 3.03Å; P1401-S1403 VanDerWaalsContact O-N 3.11Å; S1403-F1405 VanDerWaalsContact C-N 3.32Å; S1403-F1405 PolarHBondContact O-N 3.44Å; S1403-T1406 PolarHBondContact O-OG1 3.14Å; S1403-T1406 VanDerWaalsContact O-OG1 3.05Å |
| 1404 | C | 84.7 | Confident | 74.3 | Confident | 12 Ų | 12 | 70.2 Ų | 70.2 | 8% | 0.081 | 38% | 0.381 | C | S | . | . | G | 310 helix | trans | -77.5 | -25.1 | 173.7 | -62 | 0 | 0 | 0 | 0 | 112.7 | L1262 L1400 P1401 E1402 L1418 | L1262-C1404 HydrophobicContact CD2-CB 4.49Å; L1400-C1404 HydrophobicContact CB-CB 4.48Å; P1401-C1404 VanDerWaalsContact O-CB 3.3Å; P1401-C1404 WeakPolarHBondContact O-CB 3.42Å; P1401-C1404 PolarHBondContact O-N 3.14Å; P1401-C1404 PolarHBondContact O-SG 3.18Å; P1401-C1404 VanDerWaalsContact O-SG 3.42Å; E1402-C1404 PolarHBondContact O-N 3.03Å; E1402-C1404 VanDerWaalsContact O-N 3.11Å; C1404-L1418 HydrophobicContact CB-CD1 4.13Å; C1404-L1418 WeakPolarHBondContact O-CB 3.33Å; C1404-L1418 WeakPolarHBondContact O-CD1 3.42Å; C1404-L1418 PolarHBondContact O-N 2.99Å |
| 1405 | F | 85.3 | Confident | 72.6 | Confident | 16.2 Ų | 16.2 | 73.1 Ų | 73.1 | 7% | 0.071 | 40% | 0.397 | C | S | . | . | G | 310 helix | trans | -103.2 | 22.3 | -171 | -58.6 | -75.6 | 0 | 0 | 0 | 113.2 | I1397 L1400 P1401 E1402 S1403 V1407 L1418 Y1420 R1422 L1425 | I1397-F1405 HydrophobicContact CG2-CE1 4.37Å; I1397-F1405 HydrophobicContact CG2-CZ 4.13Å; I1397-F1405 WeakPolarHBondContact O-CZ 3.48Å; L1400-F1405 HydrophobicContact CB-CE2 3.64Å; L1400-F1405 HydrophobicContact CB-CZ 3.81Å; L1400-F1405 HydrophobicContact CD1-CZ 4.12Å; P1401-F1405 WeakPolarHBondContact O-CD2 3.21Å; E1402-F1405 PolarHBondContact O-N 3.18Å; S1403-F1405 VanDerWaalsContact C-N 3.32Å; S1403-F1405 PolarHBondContact O-N 3.44Å; F1405-V1407 PolarHBondContact O-N 2.92Å; F1405-L1418 HydrophobicContact CD1-CD1 3.84Å; F1405-L1418 HydrophobicContact CE1-CD1 3.72Å; F1405-L1418 HydrophobicContact CG-CD1 4.5Å; F1405-L1418 HydrophobicContact CZ-CD1 4.32Å; F1405-Y1420 CarbonylContact C-O 3.59Å; F1405-Y1420 VanDerWaalsContact CA-O 3.26Å; F1405-Y1420 WeakPolarHBondContact CA-O 3.43Å; F1405-Y1420 WeakPolarHBondContact CB-O 3.22Å; F1405-Y1420 WeakPolarHBondContact CD1-O 3.4Å; F1405-R1422 VanDerWaalsContact CD1-CA 3.46Å; F1405-R1422 HydrophobicContact CD1-CB 3.93Å; F1405-R1422 HydrophobicContact CD1-CG 4.48Å; F1405-R1422 HydrophobicContact CD2-CB 4.23Å; F1405-R1422 HydrophobicContact CE1-CB 3.87Å; F1405-R1422 HydrophobicContact CE1-CG 4.05Å; F1405-R1422 HydrophobicContact CE2-CB 4.17Å; F1405-R1422 HydrophobicContact CE2-CG 4.22Å; F1405-R1422 HydrophobicContact CG-CB 4.1Å; F1405-R1422 HydrophobicContact CZ-CB 3.99Å; F1405-R1422 HydrophobicContact CZ-CG 3.83Å; F1405-L1425 HydrophobicContact CE1-CD2 4.02Å |
| 1406 | T | 73.2 | Confident | 71.3 | Confident | 55.4 Ų | 55.4 | 74.2 Ų | 74.2 | 34% | 0.34 | 41% | 0.405 | S | S | . | . | trans | -74.4 | 125.5 | 177 | 46.3 | 0 | 0 | 0 | 0 | 110.8 | S1403 D1408 N1417 | S1403-T1406 PolarHBondContact O-OG1 3.14Å; S1403-T1406 VanDerWaalsContact O-OG1 3.05Å; T1406-D1408 PolarHBondContact O-N 3.31Å; T1406-N1417 WeakPolarHBondContact OG1-CB 3.37Å; T1406-N1417 VanDerWaalsContact OG1-CG 3.28Å; T1406-N1417 PolarHBondContact OG1-ND2 3.16Å; T1406-N1417 PolarHBondContact OG1-OD1 2.94Å | ||
| 1407 | V | 67.4 | Low | 70.6 | Confident | 53.4 Ų | 53.4 | 75.1 Ų | 75.1 | 32% | 0.324 | 41% | 0.409 | S | S | . | . | trans | -95.7 | 95.9 | 176.6 | -175.3 | 0 | 0 | 0 | 0 | 108.3 | F1405 L1409 T1421 H1582 | F1405-V1407 PolarHBondContact O-N 2.92Å; V1407-L1409 PolarHBondContact O-N 3.22Å; V1407-L1409 VanDerWaalsContact O-N 3.14Å; V1407-T1421 HydrophobicContact CG2-CG2 4.24Å; V1407-H1582 HydrophobicContact CG1-CB 4.34Å | ||
| 1408 | D | 62 | Low | 70.1 | Confident | 77 Ų | 77 | 75.2 Ų | 75.2 | 41% | 0.412 | 41% | 0.41 | S | S | . | . | trans | -75.3 | 119.6 | 178.6 | -67.3 | -48.7 | 0 | 0 | 0 | 110.9 | T1406 D1410 S1411 S1414 N1415 N1417 | T1406-D1408 PolarHBondContact O-N 3.31Å; D1408-D1410 VanDerWaalsContact C-N 3.3Å; D1408-D1410 PolarHBondContact O-N 3.17Å; D1408-S1411 PolarHBondContact O-N 3.16Å; D1408-S1414 WeakPolarHBondContact CB-OG 3.17Å; D1408-S1414 VanDerWaalsContact OD2-CB 3.24Å; D1408-S1414 WeakPolarHBondContact OD2-CB 3.34Å; D1408-S1414 PolarHBondContact OD2-OG 2.98Å; D1408-N1415 PolarHBondContact OD2-ND2 2.83Å; D1408-N1417 PolarHBondContact OD2-ND2 3.18Å | ||
| 1409 | L | 55.2 | Low | 69.7 | Low | 128 Ų | 128 | 71.7 Ų | 71.7 | 67% | 0.67 | 40% | 0.399 | S | S | * | . | S | Bend | trans | -65.6 | -27.3 | 178.7 | -71.9 | 157.7 | 0 | 0 | 0 | 113.1 | V1407 S1411 | V1407-L1409 PolarHBondContact O-N 3.22Å; V1407-L1409 VanDerWaalsContact O-N 3.14Å; L1409-S1411 VanDerWaalsContact C-N 3.31Å; L1409-S1411 PolarHBondContact O-N 2.92Å |
| 1410 | D | 51.8 | Low | 69.6 | Low | 123 Ų | 123 | 65.2 Ų | 65.2 | 66% | 0.658 | 37% | 0.371 | S | S | * | . | trans | -101.2 | 83.5 | -178.6 | -78.1 | -25.5 | 0 | 0 | 0 | 112 | D1408 S1412 K1413 | D1408-D1410 VanDerWaalsContact C-N 3.3Å; D1408-D1410 PolarHBondContact O-N 3.17Å; D1410-S1412 PolarHBondContact O-N 3.27Å; D1410-S1412 PolarHBondContact O-OG 3.3Å; D1410-K1413 PolarHBondContact O-N 3.06Å | ||
| 1411 | S | 49.7 | Very low | 69.5 | Low | 59.2 Ų | 59.2 | 66.8 Ų | 66.8 | 41% | 0.414 | 38% | 0.38 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | 6.1 | -179 | 61 | 0 | 0 | 0 | 0 | 116.8 | D1408 L1409 K1413 L1586 K1589 | D1408-S1411 PolarHBondContact O-N 3.16Å; L1409-S1411 VanDerWaalsContact C-N 3.31Å; L1409-S1411 PolarHBondContact O-N 2.92Å; S1411-K1413 PolarHBondContact O-N 3.32Å; S1411-L1586 VanDerWaalsContact CB-CD2 3.45Å; S1411-L1586 WeakPolarHBondContact OG-CD2 3.4Å; S1411-K1589 PolarHBondContact O-NZ 2.73Å; S1411-K1589 PolarHBondContact OG-NZ 3.02Å |
| 1412 | S | 46.9 | Very low | 69.7 | Low | 93.8 Ų | 93.8 | 65.5 Ų | 65.5 | 66% | 0.656 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.5 | -13.3 | -177.6 | 62.9 | 0 | 0 | 0 | 0 | 115 | D1410 | D1410-S1412 PolarHBondContact O-N 3.27Å; D1410-S1412 PolarHBondContact O-OG 3.3Å |
| 1413 | K | 46.3 | Very low | 70 | Confident | 176.8 Ų | 176.8 | 59.9 Ų | 59.9 | 77% | 0.769 | 34% | 0.341 | S | S | * | . | S | Bend | trans | -123.8 | 31.1 | -175.4 | -69.9 | 179.9 | -177.8 | 172.3 | 0 | 113.6 | D1410 S1411 N1415 | D1410-K1413 PolarHBondContact O-N 3.06Å; S1411-K1413 PolarHBondContact O-N 3.32Å; K1413-N1415 PolarHBondContact O-N 3.41Å |
| 1414 | S | 50.2 | Low | 70.2 | Confident | 59.2 Ų | 59.2 | 56.5 Ų | 56.5 | 41% | 0.414 | 32% | 0.316 | S | S | . | . | trans | -96.7 | 88.4 | 177.2 | 96.1 | 0 | 0 | 0 | 0 | 111.7 | D1408 D1416 N1417 | D1408-S1414 WeakPolarHBondContact CB-OG 3.17Å; D1408-S1414 VanDerWaalsContact OD2-CB 3.24Å; D1408-S1414 WeakPolarHBondContact OD2-CB 3.34Å; D1408-S1414 PolarHBondContact OD2-OG 2.98Å; S1414-D1416 PolarHBondContact O-N 3.02Å; S1414-D1416 VanDerWaalsContact O-N 3.12Å; S1414-N1417 PolarHBondContact OG-ND2 3.06Å | ||
| 1415 | N | 58.1 | Low | 70.5 | Confident | 68 Ų | 68 | 55.9 Ų | 55.9 | 36% | 0.364 | 31% | 0.312 | S | S | . | . | trans | -76.4 | 17.3 | 175.9 | -87.9 | -17.3 | 0 | 0 | 0 | 112.7 | K1302 D1408 K1413 N1417 | K1302-N1415 VanDerWaalsContact CE-O 3.25Å; K1302-N1415 WeakPolarHBondContact CE-O 3.4Å; K1302-N1415 PolarHBondContact NZ-O 3.05Å; D1408-N1415 PolarHBondContact OD2-ND2 2.83Å; K1413-N1415 PolarHBondContact O-N 3.41Å; N1415-N1417 PolarHBondContact O-N 3.16Å | ||
| 1416 | D | 63.7 | Low | 70.9 | Confident | 94.4 Ų | 94.4 | 55.5 Ų | 55.5 | 51% | 0.505 | 31% | 0.311 | S | S | . | . | S | Bend | trans | -89.5 | -3.2 | -162.3 | -78.6 | 12.6 | 0 | 0 | 0 | 114.4 | K1260 S1414 | K1260-D1416 HydrophobicContact CD-CB 3.83Å; K1260-D1416 VanDerWaalsContact CD-O 3.23Å; K1260-D1416 WeakPolarHBondContact CD-O 3.28Å; K1260-D1416 WeakPolarHBondContact CE-O 3.33Å; K1260-D1416 VanDerWaalsContact NZ-CG 3.28Å; K1260-D1416 PolarHBondContact NZ-O 2.96Å; K1260-D1416 IonicContact NZ-OD2 2.62Å; K1260-D1416 PolarHBondContact NZ-OD2 3.4Å; S1414-D1416 PolarHBondContact O-N 3.02Å; S1414-D1416 VanDerWaalsContact O-N 3.12Å |
| 1417 | N | 75.6 | Confident | 71.7 | Confident | 30.2 Ų | 30.2 | 52.9 Ų | 52.9 | 16% | 0.161 | 29% | 0.294 | C | S | . | . | S | Bend | trans | -101.8 | 161.7 | -176.4 | -61.8 | -27.3 | 0 | 0 | 0 | 111.6 | K1302 T1406 D1408 S1414 N1415 G1419 | K1302-N1417 WeakPolarHBondContact CE-O 3.34Å; K1302-N1417 PolarHBondContact NZ-O 3.08Å; T1406-N1417 WeakPolarHBondContact OG1-CB 3.37Å; T1406-N1417 VanDerWaalsContact OG1-CG 3.28Å; T1406-N1417 PolarHBondContact OG1-ND2 3.16Å; T1406-N1417 PolarHBondContact OG1-OD1 2.94Å; D1408-N1417 PolarHBondContact OD2-ND2 3.18Å; S1414-N1417 PolarHBondContact OG-ND2 3.06Å; N1415-N1417 PolarHBondContact O-N 3.16Å; N1417-G1419 VanDerWaalsContact C-N 3.27Å; N1417-G1419 PolarHBondContact O-N 3.38Å |
| 1418 | L | 81.9 | Confident | 72.8 | Confident | 4.2 Ų | 4.2 | 50.3 Ų | 50.3 | 2% | 0.022 | 28% | 0.279 | C | S | . | . | trans | -62.1 | -35.9 | 178.9 | -76.8 | 152.5 | 0 | 0 | 0 | 111.6 | L1262 I1281 F1304 L1333 L1400 C1404 F1405 Y1420 L1425 | L1262-L1418 HydrophobicContact CD1-CD1 4.22Å; L1262-L1418 HydrophobicContact CD1-CD2 4.14Å; L1262-L1418 HydrophobicContact CD1-CG 4.24Å; I1281-L1418 HydrophobicContact CD1-CD2 3.89Å; I1281-L1418 HydrophobicContact CD1-CG 3.96Å; I1281-L1418 HydrophobicContact CG1-CD2 3.99Å; I1281-L1418 HydrophobicContact CG1-CG 4.49Å; F1304-L1418 HydrophobicContact CB-CD2 4.39Å; F1304-L1418 HydrophobicContact CD2-CD2 3.93Å; F1304-L1418 HydrophobicContact CG-CD2 4.45Å; L1333-L1418 HydrophobicContact CD1-CD2 3.95Å; L1400-L1418 HydrophobicContact CD1-CD1 4.46Å; C1404-L1418 HydrophobicContact CB-CD1 4.13Å; C1404-L1418 WeakPolarHBondContact O-CB 3.33Å; C1404-L1418 WeakPolarHBondContact O-CD1 3.42Å; C1404-L1418 PolarHBondContact O-N 2.99Å; F1405-L1418 HydrophobicContact CD1-CD1 3.84Å; F1405-L1418 HydrophobicContact CE1-CD1 3.72Å; F1405-L1418 HydrophobicContact CG-CD1 4.5Å; F1405-L1418 HydrophobicContact CZ-CD1 4.32Å; L1418-Y1420 VanDerWaalsContact C-N 3.27Å; L1418-Y1420 WeakPolarHBondContact O-CD2 3.28Å; L1418-L1425 HydrophobicContact CD1-CD2 4.25Å; L1418-L1425 HydrophobicContact CD2-CD1 3.93Å; L1418-L1425 HydrophobicContact CD2-CD2 4.11Å; L1418-L1425 HydrophobicContact CD2-CG 4.43Å | ||
| 1419 | G | 80 | Confident | 74.3 | Confident | 21.8 Ų | 21.8 | 46.7 Ų | 46.7 | 23% | 0.225 | 26% | 0.26 | C | S | . | . | trans | 79.1 | 6.9 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | N1417 H1583 | N1417-G1419 VanDerWaalsContact C-N 3.27Å; N1417-G1419 PolarHBondContact O-N 3.38Å; G1419-H1583 PolarHBondContact O-CE1 3.15Å; G1419-H1583 PolarHBondContact O-NE2 3.01Å | ||
| 1420 | Y | 84.7 | Confident | 76 | Confident | 3.4 Ų | 3.4 | 40.6 Ų | 40.6 | 1% | 0.013 | 23% | 0.228 | C | C | . | . | S | Bend | trans | -121.4 | 145.4 | 178.7 | -76.5 | -105.8 | 0 | 0 | 0 | 109.3 | L1333 F1405 L1418 E1424 R1428 F1579 H1583 | L1333-Y1420 HydrophobicContact CB-CE2 3.95Å; L1333-Y1420 HydrophobicContact CD2-CD2 4.17Å; L1333-Y1420 HydrophobicContact CD2-CE2 3.99Å; L1333-Y1420 HydrophobicContact CG-CE2 4.49Å; L1333-Y1420 VanDerWaalsContact O-CE2 3.27Å; L1333-Y1420 WeakPolarHBondContact O-CE2 3.34Å; L1333-Y1420 PolarHBondContact O-OH 3.2Å; F1405-Y1420 CarbonylContact C-O 3.59Å; F1405-Y1420 VanDerWaalsContact CA-O 3.26Å; F1405-Y1420 WeakPolarHBondContact CA-O 3.43Å; F1405-Y1420 WeakPolarHBondContact CB-O 3.22Å; F1405-Y1420 WeakPolarHBondContact CD1-O 3.4Å; L1418-Y1420 VanDerWaalsContact C-N 3.27Å; L1418-Y1420 WeakPolarHBondContact O-CD2 3.28Å; Y1420-E1424 HydrophobicContact CD1-CB 3.72Å; Y1420-E1424 HydrophobicContact CE1-CB 4.42Å; Y1420-E1424 HydrophobicContact CG-CB 4.46Å; Y1420-R1428 HydrophobicContact CE1-CB 4.16Å; Y1420-R1428 HydrophobicContact CE1-CG 4.21Å; Y1420-F1579 AromaticContact CE1-CE2 3.88Å; Y1420-F1579 HydrophobicContact CE1-CE2 4.06Å; Y1420-F1579 HydrophobicContact CE1-CZ 4.48Å; Y1420-H1583 AromaticContact CD1-NE2 3.76Å; Y1420-H1583 AromaticContact CD2-CE1 3.39Å; Y1420-H1583 VanDerWaalsContact CD2-CE1 3.42Å; Y1420-H1583 WeakPolarHBondContact CD2-CE1 3.2Å; Y1420-H1583 AromaticContact CD2-NE2 3.7Å; Y1420-H1583 AromaticContact CE1-CE1 3.76Å; Y1420-H1583 AromaticContact CE1-NE2 3.74Å; Y1420-H1583 WeakPolarHBondContact CE1-NE2 3.47Å; Y1420-H1583 AromaticContact CE2-CE1 3.44Å; Y1420-H1583 VanDerWaalsContact CE2-CE1 3.45Å; Y1420-H1583 WeakPolarHBondContact CE2-CE1 3.34Å; Y1420-H1583 AromaticContact CE2-NE2 3.63Å; Y1420-H1583 WeakPolarHBondContact CE2-NE2 3.09Å; Y1420-H1583 AromaticContact CG-CE1 3.94Å; Y1420-H1583 AromaticContact CG-NE2 3.68Å; Y1420-H1583 AromaticContact CZ-CE1 3.74Å; Y1420-H1583 VanDerWaalsContact CZ-CE1 3.41Å; Y1420-H1583 AromaticContact CZ-NE2 3.74Å |
| 1421 | T | 88.3 | Confident | 77.8 | Confident | 36.6 Ų | 36.6 | 35 Ų | 35 | 23% | 0.225 | 20% | 0.198 | C | C | . | . | trans | -64.6 | 163.2 | 158.2 | 79.6 | 0 | 0 | 0 | 0 | 110 | V1407 I1423 E1424 L1425 E1575 | V1407-T1421 HydrophobicContact CG2-CG2 4.24Å; T1421-I1423 VanDerWaalsContact C-N 3.29Å; T1421-I1423 PolarHBondContact O-N 3.14Å; T1421-I1423 PolarHBondContact OG1-N 3.08Å; T1421-I1423 VanDerWaalsContact OG1-N 3.15Å; T1421-E1424 WeakPolarHBondContact CB-OE2 3.45Å; T1421-E1424 HydrophobicContact CG2-CG 4.31Å; T1421-E1424 WeakPolarHBondContact CG2-OE2 3.28Å; T1421-E1424 PolarHBondContact N-OE2 2.82Å; T1421-E1424 PolarHBondContact O-N 2.99Å; T1421-E1424 WeakPolarHBondContact OG1-CB 3.24Å; T1421-E1424 VanDerWaalsContact OG1-CD 3.27Å; T1421-E1424 WeakPolarHBondContact OG1-CG 3.36Å; T1421-E1424 PolarHBondContact OG1-N 3.14Å; T1421-E1424 VanDerWaalsContact OG1-N 3.11Å; T1421-E1424 PolarHBondContact OG1-OE2 2.83Å; T1421-L1425 PolarHBondContact O-N 3.21Å; T1421-E1575 WeakPolarHBondContact CB-OE2 3.41Å; T1421-E1575 WeakPolarHBondContact CG2-OE2 3.34Å; T1421-E1575 PolarHBondContact OG1-OE2 3.02Å | ||
| 1422 | R | 90.3 | Very high | 79.7 | Confident | 43.8 Ų | 43.8 | 32.1 Ų | 32.1 | 17% | 0.165 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -58.3 | -37.1 | 175.6 | -171.5 | -178.2 | -68.7 | 103 | -5.2 | 111.9 | I1397 L1400 E1402 F1405 L1425 I1426 Y1512 | I1397-R1422 HydrophobicContact CG2-CG 4.2Å; I1397-R1422 PolarHBondContact O-NE 3.19Å; L1400-R1422 PolarHBondContact O-NH2 2.96Å; E1402-R1422 VanDerWaalsContact CD-NH2 3.28Å; E1402-R1422 IonicContact OE1-CZ 3.6Å; E1402-R1422 VanDerWaalsContact OE1-CZ 3.23Å; E1402-R1422 IonicContact OE1-NH1 3.69Å; E1402-R1422 PolarHBondContact OE1-NH1 2.99Å; E1402-R1422 IonicContact OE1-NH2 3.11Å; E1402-R1422 PolarHBondContact OE1-NH2 2.99Å; E1402-R1422 IonicContact OE2-CZ 2.72Å; E1402-R1422 IonicContact OE2-NH1 3.01Å; E1402-R1422 PolarHBondContact OE2-NH1 3.08Å; E1402-R1422 IonicContact OE2-NH2 3.59Å; E1402-R1422 PolarHBondContact OE2-NH2 3.3Å; F1405-R1422 VanDerWaalsContact CD1-CA 3.46Å; F1405-R1422 HydrophobicContact CD1-CB 3.93Å; F1405-R1422 HydrophobicContact CD1-CG 4.48Å; F1405-R1422 HydrophobicContact CD2-CB 4.23Å; F1405-R1422 HydrophobicContact CE1-CB 3.87Å; F1405-R1422 HydrophobicContact CE1-CG 4.05Å; F1405-R1422 HydrophobicContact CE2-CB 4.17Å; F1405-R1422 HydrophobicContact CE2-CG 4.22Å; F1405-R1422 HydrophobicContact CG-CB 4.1Å; F1405-R1422 HydrophobicContact CZ-CB 3.99Å; F1405-R1422 HydrophobicContact CZ-CG 3.83Å; R1422-L1425 PolarHBondContact O-N 2.94Å; R1422-I1426 HydrophobicContact CG-CD1 4.48Å; R1422-I1426 WeakPolarHBondContact O-CD1 3.42Å; R1422-I1426 VanDerWaalsContact O-CG1 3.3Å; R1422-I1426 WeakPolarHBondContact O-CG1 3.36Å; R1422-I1426 PolarHBondContact O-N 3.32Å; R1422-I1426 VanDerWaalsContact O-N 3.12Å; R1422-Y1512 VanDerWaalsContact CD-OH 3.25Å; R1422-Y1512 WeakPolarHBondContact CD-OH 3.33Å |
| 1423 | I | 91 | Very high | 81.8 | Confident | 20 Ų | 20 | 27.7 Ų | 27.7 | 10% | 0.103 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -76.2 | -40 | -179 | -61.7 | 177.8 | 0 | 0 | 0 | 111 | T1421 L1425 I1426 G1427 P1495 H1573 E1575 L1576 | T1421-I1423 VanDerWaalsContact C-N 3.29Å; T1421-I1423 PolarHBondContact O-N 3.14Å; T1421-I1423 PolarHBondContact OG1-N 3.08Å; T1421-I1423 VanDerWaalsContact OG1-N 3.15Å; I1423-L1425 VanDerWaalsContact C-N 3.3Å; I1423-L1425 PolarHBondContact O-N 3.13Å; I1423-I1426 WeakPolarHBondContact O-CB 3.34Å; I1423-I1426 PolarHBondContact O-N 3.28Å; I1423-I1426 VanDerWaalsContact O-N 3.12Å; I1423-G1427 PolarHBondContact O-N 3.27Å; I1423-P1495 HydrophobicContact CB-CG 4.48Å; I1423-P1495 HydrophobicContact CD1-CB 4.25Å; I1423-P1495 HydrophobicContact CD1-CG 4.43Å; I1423-P1495 HydrophobicContact CG1-CB 4.3Å; I1423-P1495 HydrophobicContact CG1-CG 4.16Å; I1423-P1495 HydrophobicContact CG2-CB 4.28Å; I1423-P1495 HydrophobicContact CG2-CG 3.92Å; I1423-H1573 HydrophobicContact CD1-CB 4.39Å; I1423-H1573 WeakPolarHBondContact CD1-ND1 3.3Å; I1423-H1573 HydrophobicContact CG2-CB 4.3Å; I1423-E1575 HydrophobicContact CB-CB 4.15Å; I1423-E1575 HydrophobicContact CG2-CB 3.67Å; I1423-L1576 HydrophobicContact CG2-CB 4.18Å; I1423-L1576 HydrophobicContact CG2-CD1 4.27Å |
| 1424 | E | 87.8 | Confident | 83.7 | Confident | 10.2 Ų | 10.2 | 19.7 Ų | 19.7 | 5% | 0.048 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -62.2 | -38.4 | 174.7 | -67.9 | 174.8 | 138.1 | 0 | 0 | 111.7 | Y1420 T1421 I1426 G1427 R1428 E1575 S1580 | Y1420-E1424 HydrophobicContact CD1-CB 3.72Å; Y1420-E1424 HydrophobicContact CE1-CB 4.42Å; Y1420-E1424 HydrophobicContact CG-CB 4.46Å; T1421-E1424 WeakPolarHBondContact CB-OE2 3.45Å; T1421-E1424 HydrophobicContact CG2-CG 4.31Å; T1421-E1424 WeakPolarHBondContact CG2-OE2 3.28Å; T1421-E1424 PolarHBondContact N-OE2 2.82Å; T1421-E1424 PolarHBondContact O-N 2.99Å; T1421-E1424 WeakPolarHBondContact OG1-CB 3.24Å; T1421-E1424 VanDerWaalsContact OG1-CD 3.27Å; T1421-E1424 WeakPolarHBondContact OG1-CG 3.36Å; T1421-E1424 PolarHBondContact OG1-N 3.14Å; T1421-E1424 VanDerWaalsContact OG1-N 3.11Å; T1421-E1424 PolarHBondContact OG1-OE2 2.83Å; E1424-I1426 VanDerWaalsContact C-N 3.33Å; E1424-I1426 PolarHBondContact O-N 2.9Å; E1424-G1427 CarbonylContact O-C 3.54Å; E1424-G1427 PolarHBondContact O-N 3.16Å; E1424-R1428 WeakPolarHBondContact O-CB 3.45Å; E1424-R1428 PolarHBondContact O-N 3.14Å; E1424-E1575 HydrophobicContact CG-CB 4.26Å; E1424-E1575 HydrophobicContact CG-CG 4.48Å; E1424-S1580 WeakPolarHBondContact OE1-CB 3.36Å; E1424-S1580 PolarHBondContact OE1-OG 3.36Å |
| 1425 | L | 91.1 | Very high | 85.1 | Confident | 0.2 Ų | 0.2 | 17.3 Ų | 17.3 | 0% | 0.001 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -64.2 | -38.3 | 174.3 | -177.1 | 64.7 | 0 | 0 | 0 | 111.6 | L1333 I1397 F1405 L1418 T1421 R1422 I1423 G1427 R1428 I1429 | L1333-L1425 HydrophobicContact CD2-CD1 3.86Å; I1397-L1425 HydrophobicContact CD1-CD2 4Å; I1397-L1425 HydrophobicContact CD1-CG 4.45Å; I1397-L1425 HydrophobicContact CG1-CD2 4.24Å; I1397-L1425 HydrophobicContact CG2-CD2 4.03Å; F1405-L1425 HydrophobicContact CE1-CD2 4.02Å; L1418-L1425 HydrophobicContact CD1-CD2 4.25Å; L1418-L1425 HydrophobicContact CD2-CD1 3.93Å; L1418-L1425 HydrophobicContact CD2-CD2 4.11Å; L1418-L1425 HydrophobicContact CD2-CG 4.43Å; T1421-L1425 PolarHBondContact O-N 3.21Å; R1422-L1425 PolarHBondContact O-N 2.94Å; I1423-L1425 VanDerWaalsContact C-N 3.3Å; I1423-L1425 PolarHBondContact O-N 3.13Å; L1425-G1427 VanDerWaalsContact C-N 3.35Å; L1425-R1428 WeakPolarHBondContact O-CB 3.16Å; L1425-R1428 PolarHBondContact O-N 3.14Å; L1425-I1429 HydrophobicContact CG-CD1 4.42Å; L1425-I1429 VanDerWaalsContact O-CG1 3.31Å; L1425-I1429 WeakPolarHBondContact O-CG1 3.33Å; L1425-I1429 PolarHBondContact O-N 3.04Å |
| 1426 | I | 93.4 | Very high | 85.3 | Confident | 7 Ų | 7 | 17.7 Ų | 17.7 | 4% | 0.036 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -64.5 | -43.1 | 172.7 | -68 | 169.3 | 0 | 0 | 0 | 110.3 | R1422 I1423 E1424 R1428 I1429 I1430 W1493 P1495 Y1512 L1576 | R1422-I1426 HydrophobicContact CG-CD1 4.48Å; R1422-I1426 WeakPolarHBondContact O-CD1 3.42Å; R1422-I1426 VanDerWaalsContact O-CG1 3.3Å; R1422-I1426 WeakPolarHBondContact O-CG1 3.36Å; R1422-I1426 PolarHBondContact O-N 3.32Å; R1422-I1426 VanDerWaalsContact O-N 3.12Å; I1423-I1426 WeakPolarHBondContact O-CB 3.34Å; I1423-I1426 PolarHBondContact O-N 3.28Å; I1423-I1426 VanDerWaalsContact O-N 3.12Å; E1424-I1426 VanDerWaalsContact C-N 3.33Å; E1424-I1426 PolarHBondContact O-N 2.9Å; I1426-R1428 VanDerWaalsContact C-N 3.26Å; I1426-R1428 PolarHBondContact O-N 3.23Å; I1426-I1429 WeakPolarHBondContact O-CB 3.32Å; I1426-I1429 PolarHBondContact O-N 3.23Å; I1426-I1429 VanDerWaalsContact O-N 3.13Å; I1426-I1430 HydrophobicContact CG2-CD1 4.27Å; I1426-I1430 VanDerWaalsContact O-CG1 3.31Å; I1426-I1430 WeakPolarHBondContact O-CG1 3.34Å; I1426-I1430 PolarHBondContact O-N 3.08Å; I1426-W1493 HydrophobicContact CG2-CE3 3.8Å; I1426-W1493 HydrophobicContact CG2-CZ3 3.67Å; I1426-P1495 HydrophobicContact CD1-CG 4.15Å; I1426-Y1512 HydrophobicContact CD1-CD1 4.48Å; I1426-Y1512 HydrophobicContact CD1-CE1 3.64Å; I1426-L1576 HydrophobicContact CB-CD1 4.18Å; I1426-L1576 HydrophobicContact CG2-CD1 3.61Å |
| 1427 | G | 90.9 | Very high | 84.8 | Confident | 0 Ų | 0 | 15.2 Ų | 15.2 | 0% | 0 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -57.9 | -37.2 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | I1423 E1424 L1425 I1430 S1431 R1621 | I1423-G1427 PolarHBondContact O-N 3.27Å; E1424-G1427 CarbonylContact O-C 3.54Å; E1424-G1427 PolarHBondContact O-N 3.16Å; L1425-G1427 VanDerWaalsContact C-N 3.35Å; G1427-I1430 WeakPolarHBondContact O-CB 3.3Å; G1427-I1430 PolarHBondContact O-N 3.16Å; G1427-S1431 PolarHBondContact O-N 3.21Å; G1427-S1431 VanDerWaalsContact O-N 3.12Å; G1427-S1431 PolarHBondContact O-OG 3.25Å; G1427-R1621 PolarHBondContact O-NE 3.05Å; G1427-R1621 VanDerWaalsContact O-NE 3.13Å |
| 1428 | R | 89.7 | Confident | 83.1 | Confident | 0.4 Ų | 0.4 | 16.8 Ų | 16.8 | 0% | 0.002 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -68.3 | -40.5 | 173.9 | -171.6 | 61.3 | 166.9 | -161 | -12.6 | 112.6 | I1331 S1332 D1335 D1337 L1339 Y1420 E1424 L1425 I1426 I1430 S1431 C1432 | I1331-R1428 HydrophobicContact CG2-CG 4.07Å; S1332-R1428 VanDerWaalsContact O-CZ 3.3Å; S1332-R1428 PolarHBondContact O-NE 3.19Å; S1332-R1428 PolarHBondContact O-NH2 2.85Å; D1335-R1428 VanDerWaalsContact O-CZ 3.25Å; D1335-R1428 PolarHBondContact O-NH1 3.19Å; D1335-R1428 PolarHBondContact O-NH2 2.92Å; D1337-R1428 IonicContact OD1-NH1 3.19Å; D1337-R1428 PolarHBondContact OD1-NH1 3.13Å; D1337-R1428 VanDerWaalsContact OD1-NH1 3.11Å; D1337-R1428 IonicContact OD2-CZ 3.23Å; D1337-R1428 IonicContact OD2-NE 3.94Å; D1337-R1428 IonicContact OD2-NH1 2.99Å; D1337-R1428 PolarHBondContact OD2-NH1 2.94Å; L1339-R1428 VanDerWaalsContact CD2-CZ 3.45Å; L1339-R1428 VanDerWaalsContact CD2-NH2 3.29Å; Y1420-R1428 HydrophobicContact CE1-CB 4.16Å; Y1420-R1428 HydrophobicContact CE1-CG 4.21Å; E1424-R1428 WeakPolarHBondContact O-CB 3.45Å; E1424-R1428 PolarHBondContact O-N 3.14Å; L1425-R1428 WeakPolarHBondContact O-CB 3.16Å; L1425-R1428 PolarHBondContact O-N 3.14Å; I1426-R1428 VanDerWaalsContact C-N 3.26Å; I1426-R1428 PolarHBondContact O-N 3.23Å; R1428-I1430 VanDerWaalsContact C-N 3.31Å; R1428-I1430 PolarHBondContact O-N 3.11Å; R1428-S1431 WeakPolarHBondContact O-CB 3.39Å; R1428-S1431 PolarHBondContact O-N 3.17Å; R1428-S1431 VanDerWaalsContact O-N 3.11Å; R1428-C1432 PolarHBondContact O-N 3.08Å; R1428-C1432 PolarHBondContact O-SG 3.03Å; R1428-C1432 VanDerWaalsContact O-SG 3.38Å |
| 1429 | I | 93.1 | Very high | 81 | Confident | 1 Ų | 1 | 21.5 Ų | 21.5 | 1% | 0.005 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -60.9 | -41.6 | 172.4 | -69.6 | 162.4 | 0 | 0 | 0 | 110.7 | I1331 F1390 M1393 I1394 I1397 L1425 I1426 S1431 C1432 L1433 W1493 | I1331-I1429 HydrophobicContact CD1-CB 4.43Å; I1331-I1429 HydrophobicContact CD1-CD1 4.45Å; I1331-I1429 HydrophobicContact CD1-CG1 3.56Å; F1390-I1429 HydrophobicContact CE1-CG2 3.7Å; F1390-I1429 HydrophobicContact CZ-CG2 3.95Å; M1393-I1429 HydrophobicContact CE-CD1 4.36Å; M1393-I1429 HydrophobicContact CE-CG1 4.48Å; I1394-I1429 HydrophobicContact CG1-CD1 4.49Å; I1397-I1429 HydrophobicContact CD1-CD1 3.39Å; L1425-I1429 HydrophobicContact CG-CD1 4.42Å; L1425-I1429 VanDerWaalsContact O-CG1 3.31Å; L1425-I1429 WeakPolarHBondContact O-CG1 3.33Å; L1425-I1429 PolarHBondContact O-N 3.04Å; I1426-I1429 WeakPolarHBondContact O-CB 3.32Å; I1426-I1429 PolarHBondContact O-N 3.23Å; I1426-I1429 VanDerWaalsContact O-N 3.13Å; I1429-S1431 VanDerWaalsContact C-N 3.3Å; I1429-S1431 PolarHBondContact O-N 3.19Å; I1429-C1432 VanDerWaalsContact O-CB 3.3Å; I1429-C1432 WeakPolarHBondContact O-CB 3.38Å; I1429-C1432 PolarHBondContact O-N 3.34Å; I1429-C1432 VanDerWaalsContact O-N 3.09Å; I1429-L1433 WeakPolarHBondContact O-CG 3.15Å; I1429-L1433 PolarHBondContact O-N 3.25Å; I1429-W1493 HydrophobicContact CB-CZ3 4.31Å; I1429-W1493 HydrophobicContact CG2-CH2 3.86Å; I1429-W1493 HydrophobicContact CG2-CZ3 3.8Å |
| 1430 | I | 91.8 | Very high | 78.7 | Confident | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -60 | -42.6 | 175.8 | -68.9 | 170.1 | 0 | 0 | 0 | 110.8 | I1426 G1427 R1428 C1432 L1433 W1493 L1494 L1576 R1621 A1624 L1625 | I1426-I1430 HydrophobicContact CG2-CD1 4.27Å; I1426-I1430 VanDerWaalsContact O-CG1 3.31Å; I1426-I1430 WeakPolarHBondContact O-CG1 3.34Å; I1426-I1430 PolarHBondContact O-N 3.08Å; G1427-I1430 WeakPolarHBondContact O-CB 3.3Å; G1427-I1430 PolarHBondContact O-N 3.16Å; R1428-I1430 VanDerWaalsContact C-N 3.31Å; R1428-I1430 PolarHBondContact O-N 3.11Å; I1430-C1432 PolarHBondContact O-N 2.93Å; I1430-C1432 VanDerWaalsContact O-N 3.17Å; I1430-L1433 HydrophobicContact CG1-CD1 4.47Å; I1430-L1433 WeakPolarHBondContact O-CB 3.44Å; I1430-L1433 WeakPolarHBondContact O-CG 3.47Å; I1430-L1433 PolarHBondContact O-N 3.2Å; I1430-L1433 VanDerWaalsContact O-N 3.14Å; I1430-W1493 HydrophobicContact CD1-CH2 4.5Å; I1430-W1493 HydrophobicContact CG1-CH2 3.78Å; I1430-W1493 HydrophobicContact CG1-CZ2 4.48Å; I1430-W1493 HydrophobicContact CG1-CZ3 4.26Å; I1430-L1494 HydrophobicContact CD1-CD2 3.69Å; I1430-L1494 HydrophobicContact CG1-CD2 4.22Å; I1430-L1576 HydrophobicContact CD1-CD1 3.59Å; I1430-L1576 HydrophobicContact CD1-CD2 3.99Å; I1430-L1576 HydrophobicContact CD1-CG 3.85Å; I1430-R1621 HydrophobicContact CG2-CB 4.21Å; I1430-R1621 HydrophobicContact CG2-CG 4.32Å; I1430-A1624 HydrophobicContact CG2-CB 3.41Å; I1430-A1624 VanDerWaalsContact CG2-CB 3.42Å; I1430-L1625 HydrophobicContact CD1-CD2 4.03Å; I1430-L1625 HydrophobicContact CD1-CG 4.5Å |
| 1431 | S | 88.3 | Confident | 76.2 | Confident | 4 Ų | 4 | 27.2 Ų | 27.2 | 3% | 0.028 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -59.1 | -28.7 | 174.3 | -59.2 | 0 | 0 | 0 | 0 | 113.2 | D1337 R1356 G1427 R1428 I1429 L1433 R1621 | D1337-S1431 WeakPolarHBondContact OD1-CB 3.48Å; D1337-S1431 PolarHBondContact OD1-OG 3.39Å; D1337-S1431 PolarHBondContact OD2-OG 3.34Å; R1356-S1431 WeakPolarHBondContact CD-O 3.1Å; G1427-S1431 PolarHBondContact O-N 3.21Å; G1427-S1431 VanDerWaalsContact O-N 3.12Å; G1427-S1431 PolarHBondContact O-OG 3.25Å; R1428-S1431 WeakPolarHBondContact O-CB 3.39Å; R1428-S1431 PolarHBondContact O-N 3.17Å; R1428-S1431 VanDerWaalsContact O-N 3.11Å; I1429-S1431 VanDerWaalsContact C-N 3.3Å; I1429-S1431 PolarHBondContact O-N 3.19Å; S1431-L1433 VanDerWaalsContact C-N 3.33Å; S1431-L1433 PolarHBondContact O-N 3.25Å; S1431-R1621 WeakPolarHBondContact OG-CG 3.32Å; S1431-R1621 PolarHBondContact OG-NE 3.24Å |
| 1432 | C | 90 | Very high | 73.4 | Confident | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -78.2 | -15.9 | 179.4 | -63 | 0 | 0 | 0 | 0 | 114.4 | I1331 L1339 R1356 F1357 R1428 I1429 I1430 | I1331-C1432 VanDerWaalsContact CG2-SG 3.6Å; I1331-C1432 WeakPolarHBondContact CG2-SG 2.94Å; L1339-C1432 HydrophobicContact CD1-CB 4.41Å; L1339-C1432 WeakPolarHBondContact CD1-SG 3.39Å; R1356-C1432 HydrophobicContact CB-CB 4.45Å; R1356-C1432 PolarHBondContact O-SG 2.97Å; F1357-C1432 HydrophobicContact CB-CB 4.23Å; F1357-C1432 HydrophobicContact CD1-CB 4.14Å; F1357-C1432 WeakPolarHBondContact CD1-O 3.37Å; R1428-C1432 PolarHBondContact O-N 3.08Å; R1428-C1432 PolarHBondContact O-SG 3.03Å; R1428-C1432 VanDerWaalsContact O-SG 3.38Å; I1429-C1432 VanDerWaalsContact O-CB 3.3Å; I1429-C1432 WeakPolarHBondContact O-CB 3.38Å; I1429-C1432 PolarHBondContact O-N 3.34Å; I1429-C1432 VanDerWaalsContact O-N 3.09Å; I1430-C1432 PolarHBondContact O-N 2.93Å; I1430-C1432 VanDerWaalsContact O-N 3.17Å |
| 1433 | L | 91.3 | Very high | 70.4 | Confident | 0.2 Ų | 0.2 | 32.5 Ų | 32.5 | 0% | 0.001 | 20% | 0.2 | C | C | . | . | S | Bend | trans | -66.9 | 149.5 | -170 | -66.1 | 175.9 | 0 | 0 | 0 | 112.4 | F1390 I1429 I1430 S1431 Y1435 L1488 W1493 W1627 L1628 | F1390-L1433 HydrophobicContact CE1-CD2 4.12Å; F1390-L1433 HydrophobicContact CZ-CD2 3.97Å; I1429-L1433 WeakPolarHBondContact O-CG 3.15Å; I1429-L1433 PolarHBondContact O-N 3.25Å; I1430-L1433 HydrophobicContact CG1-CD1 4.47Å; I1430-L1433 WeakPolarHBondContact O-CB 3.44Å; I1430-L1433 WeakPolarHBondContact O-CG 3.47Å; I1430-L1433 PolarHBondContact O-N 3.2Å; I1430-L1433 VanDerWaalsContact O-N 3.14Å; S1431-L1433 VanDerWaalsContact C-N 3.33Å; S1431-L1433 PolarHBondContact O-N 3.25Å; L1433-Y1435 VanDerWaalsContact C-N 3.28Å; L1433-Y1435 HydrophobicContact CB-CD1 4.28Å; L1433-Y1435 HydrophobicContact CB-CE1 4.41Å; L1433-Y1435 WeakPolarHBondContact O-CD1 3.41Å; L1433-Y1435 VanDerWaalsContact O-CE1 3.27Å; L1433-Y1435 WeakPolarHBondContact O-CE1 3.4Å; L1433-Y1435 PolarHBondContact O-N 3.11Å; L1433-L1488 HydrophobicContact CD2-CD1 3.72Å; L1433-W1493 HydrophobicContact CD1-CH2 4.39Å; L1433-W1493 HydrophobicContact CD1-CZ2 4.39Å; L1433-W1627 HydrophobicContact CB-CE3 4.15Å; L1433-W1627 HydrophobicContact CB-CH2 4.45Å; L1433-W1627 HydrophobicContact CB-CZ3 3.94Å; L1433-W1627 HydrophobicContact CD1-CE3 4.13Å; L1433-W1627 HydrophobicContact CD1-CZ3 4.09Å; L1433-W1627 HydrophobicContact CD2-CZ3 4.21Å; L1433-W1627 HydrophobicContact CG-CE3 4.42Å; L1433-W1627 HydrophobicContact CG-CZ3 4.12Å; L1433-L1628 HydrophobicContact CD1-CD1 3.74Å; L1433-L1628 HydrophobicContact CD1-CD2 4.05Å; L1433-L1628 HydrophobicContact CD1-CG 4.02Å |
| 1434 | P | 86.4 | Confident | 67.5 | Low | 9.6 Ų | 9.6 | 38.7 Ų | 38.7 | 6% | 0.062 | 23% | 0.233 | C | C | . | . | trans | -82 | 54.6 | -178.3 | 33.9 | -35.9 | 0 | 0 | 0 | 112.9 | F1355 L1437 L1484 W1627 | F1355-P1434 HydrophobicContact CD1-CB 4.1Å; F1355-P1434 HydrophobicContact CD1-CG 4.4Å; F1355-P1434 HydrophobicContact CE1-CB 4.05Å; F1355-P1434 HydrophobicContact CE1-CG 4.17Å; P1434-L1437 HydrophobicContact CB-CD1 3.52Å; P1434-L1437 HydrophobicContact CB-CG 4.29Å; P1434-L1484 HydrophobicContact CG-CD1 4.19Å; P1434-W1627 VanDerWaalsContact CD-CH2 3.48Å; P1434-W1627 HydrophobicContact CG-CH2 3.8Å; P1434-W1627 HydrophobicContact CG-CZ2 3.93Å; P1434-W1627 HydrophobicContact CG-CZ3 4.44Å | ||
| 1435 | Y | 78.9 | Confident | 64.6 | Low | 8.4 Ų | 8.4 | 43.3 Ų | 43.3 | 3% | 0.033 | 27% | 0.265 | C | S | . | . | trans | -81.2 | 129.7 | 173.8 | 65.1 | -81.2 | 0 | 0 | 0 | 112.1 | L1433 L1437 N1620 D1623 A1624 W1627 W1677 | L1433-Y1435 VanDerWaalsContact C-N 3.28Å; L1433-Y1435 HydrophobicContact CB-CD1 4.28Å; L1433-Y1435 HydrophobicContact CB-CE1 4.41Å; L1433-Y1435 WeakPolarHBondContact O-CD1 3.41Å; L1433-Y1435 VanDerWaalsContact O-CE1 3.27Å; L1433-Y1435 WeakPolarHBondContact O-CE1 3.4Å; L1433-Y1435 PolarHBondContact O-N 3.11Å; Y1435-L1437 HydrophobicContact CD2-CD1 3.8Å; Y1435-L1437 HydrophobicContact CD2-CG 4.32Å; Y1435-L1437 HydrophobicContact CE1-CD1 4.26Å; Y1435-L1437 HydrophobicContact CE2-CD1 3.66Å; Y1435-L1437 HydrophobicContact CE2-CD2 3.74Å; Y1435-L1437 HydrophobicContact CE2-CG 3.82Å; Y1435-L1437 HydrophobicContact CG-CD1 4.43Å; Y1435-L1437 VanDerWaalsContact CZ-CD1 3.49Å; Y1435-L1437 WeakPolarHBondContact O-CD1 3.43Å; Y1435-L1437 PolarHBondContact O-N 2.98Å; Y1435-N1620 WeakPolarHBondContact CE2-O 3.24Å; Y1435-N1620 VanDerWaalsContact CZ-O 3.25Å; Y1435-N1620 WeakPolarHBondContact OH-CA 3.41Å; Y1435-N1620 WeakPolarHBondContact OH-CB 3.32Å; Y1435-N1620 VanDerWaalsContact OH-CG 3.31Å; Y1435-N1620 PolarHBondContact OH-O 3.12Å; Y1435-N1620 PolarHBondContact OH-OD1 3.23Å; Y1435-D1623 HydrophobicContact CD2-CB 3.82Å; Y1435-D1623 HydrophobicContact CE2-CB 3.81Å; Y1435-A1624 HydrophobicContact CD1-CB 3.44Å; Y1435-A1624 VanDerWaalsContact CD1-CB 3.46Å; Y1435-A1624 HydrophobicContact CD2-CB 4.39Å; Y1435-A1624 HydrophobicContact CE1-CB 3.67Å; Y1435-A1624 VanDerWaalsContact CE1-CB 3.47Å; Y1435-A1624 HydrophobicContact CE2-CB 4.31Å; Y1435-A1624 HydrophobicContact CG-CB 3.88Å; Y1435-W1627 VanDerWaalsContact CB-CB 3.43Å; Y1435-W1627 VanDerWaalsContact CB-CG 3.43Å; Y1435-W1677 WeakPolarHBondContact O-CH2 3.44Å; Y1435-W1677 WeakPolarHBondContact O-CZ2 3.5Å | ||
| 1436 | N | 62.7 | Low | 61.5 | Low | 76.8 Ų | 76.8 | 48.1 Ų | 48.1 | 41% | 0.411 | 30% | 0.3 | S | S | . | . | trans | -96.7 | 74.2 | -174.1 | -79.8 | -17 | 0 | 0 | 0 | 112.3 | S1438 F1439 W1677 | N1436-S1438 PolarHBondContact O-N 3.26Å; N1436-S1438 VanDerWaalsContact O-N 3.09Å; N1436-F1439 PolarHBondContact O-N 3.45Å; N1436-W1677 HydrophobicContact CB-CZ2 4.44Å; N1436-W1677 PolarHBondContact ND2-NE1 3.44Å; N1436-W1677 VanDerWaalsContact ND2-NE1 3.12Å | ||
| 1437 | L | 52.8 | Low | 58.3 | Low | 40.8 Ų | 40.8 | 53.8 Ų | 53.8 | 21% | 0.214 | 34% | 0.335 | C | S | . | . | trans | -69.5 | 10.1 | 175.9 | -81.1 | 115.3 | 0 | 0 | 0 | 113.4 | G1354 R1356 P1434 Y1435 F1439 S1440 I1471 N1620 | G1354-L1437 WeakPolarHBondContact O-CD2 3.48Å; R1356-L1437 VanDerWaalsContact NH2-CD1 3.28Å; P1434-L1437 HydrophobicContact CB-CD1 3.52Å; P1434-L1437 HydrophobicContact CB-CG 4.29Å; Y1435-L1437 HydrophobicContact CD2-CD1 3.8Å; Y1435-L1437 HydrophobicContact CD2-CG 4.32Å; Y1435-L1437 HydrophobicContact CE1-CD1 4.26Å; Y1435-L1437 HydrophobicContact CE2-CD1 3.66Å; Y1435-L1437 HydrophobicContact CE2-CD2 3.74Å; Y1435-L1437 HydrophobicContact CE2-CG 3.82Å; Y1435-L1437 HydrophobicContact CG-CD1 4.43Å; Y1435-L1437 VanDerWaalsContact CZ-CD1 3.49Å; Y1435-L1437 WeakPolarHBondContact O-CD1 3.43Å; Y1435-L1437 PolarHBondContact O-N 2.98Å; L1437-F1439 PolarHBondContact O-N 2.98Å; L1437-F1439 VanDerWaalsContact O-N 3.15Å; L1437-S1440 PolarHBondContact O-N 3.13Å; L1437-I1471 HydrophobicContact CD1-CD1 3.93Å; L1437-I1471 HydrophobicContact CD2-CD1 4Å; L1437-I1471 HydrophobicContact CD2-CG1 4.24Å; L1437-N1620 VanDerWaalsContact CD2-OD1 3.28Å; L1437-N1620 WeakPolarHBondContact CD2-OD1 3.48Å | ||
| 1438 | S | 41.5 | Very low | 55.3 | Low | 64.2 Ų | 64.2 | 58.8 Ų | 58.8 | 45% | 0.449 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.2 | -2.8 | -175.9 | 58.7 | 0 | 0 | 0 | 0 | 115.3 | N1436 W1677 Q1680 | N1436-S1438 PolarHBondContact O-N 3.26Å; N1436-S1438 VanDerWaalsContact O-N 3.09Å; S1438-W1677 PolarHBondContact OG-NE1 3.22Å; S1438-W1677 VanDerWaalsContact OG-NE1 3.09Å; S1438-Q1680 PolarHBondContact OG-OE1 3.23Å |
| 1439 | F | 37.6 | Very low | 52.2 | Low | 102.8 Ų | 102.8 | 63.4 Ų | 63.4 | 45% | 0.451 | 41% | 0.414 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -138.7 | 11.9 | -170.3 | -71 | -74.5 | 0 | 0 | 0 | 115.8 | N1436 L1437 S1441 S1443 T1674 N1676 Q1680 | N1436-F1439 PolarHBondContact O-N 3.45Å; L1437-F1439 PolarHBondContact O-N 2.98Å; L1437-F1439 VanDerWaalsContact O-N 3.15Å; F1439-S1441 PolarHBondContact O-N 3.24Å; F1439-S1441 VanDerWaalsContact O-N 3.16Å; F1439-S1443 PolarHBondContact O-OG 3.36Å; F1439-T1674 HydrophobicContact CE1-CG2 4.5Å; F1439-T1674 HydrophobicContact CZ-CG2 3.82Å; F1439-N1676 HydrophobicContact CE2-CB 4.44Å; F1439-N1676 HydrophobicContact CZ-CB 4.16Å; F1439-Q1680 HydrophobicContact CE2-CB 4.27Å; F1439-Q1680 HydrophobicContact CE2-CG 3.74Å; F1439-Q1680 HydrophobicContact CZ-CG 4.16Å |
| 1440 | S | 31.5 | Very low | 49 | Very low | 54 Ų | 54 | 66.8 Ų | 66.8 | 38% | 0.378 | 45% | 0.449 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.5 | 40.6 | -179.4 | 146.2 | 0 | 0 | 0 | 0 | 113.3 | L1437 | L1437-S1440 PolarHBondContact O-N 3.13Š|
| 1441 | S | 31 | Very low | 45.7 | Very low | 91.8 Ų | 91.8 | 73 Ų | 73 | 64% | 0.642 | 49% | 0.491 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -149.1 | 17.2 | 173.6 | 41.9 | 0 | 0 | 0 | 0 | 116.7 | F1439 | F1439-S1441 PolarHBondContact O-N 3.24Å; F1439-S1441 VanDerWaalsContact O-N 3.16Å |
| 1442 | S | 29.6 | Very low | 42.7 | Very low | 104 Ų | 104 | 80.5 Ų | 80.5 | 73% | 0.727 | 53% | 0.53 | S | S | * | . | S | Bend | trans | -118.5 | 1.5 | 174.6 | 61.4 | 0 | 0 | 0 | 0 | 116.2 | ||
| 1443 | S | 28.9 | Very low | 39.7 | Very low | 87.6 Ų | 87.6 | 86.7 Ų | 86.7 | 61% | 0.613 | 57% | 0.568 | S | S | * | * | S | Bend | trans | -121.3 | 10 | -175.3 | 66.5 | 0 | 0 | 0 | 0 | 116.5 | F1439 S1445 | F1439-S1443 PolarHBondContact O-OG 3.36Å; S1443-S1445 PolarHBondContact O-N 3Å |
| 1444 | L | 28.8 | Very low | 36.5 | Very low | 150.6 Ų | 150.6 | 94.2 Ų | 94.2 | 79% | 0.788 | 61% | 0.608 | S | S | * | * | S | Bend | trans | -103 | 33.2 | -179.7 | -95.2 | 139.5 | 0 | 0 | 0 | 113.8 | ||
| 1445 | S | 28.2 | Very low | 33.6 | Very low | 105 Ų | 105 | 104.5 Ų | 104.5 | 73% | 0.734 | 65% | 0.646 | S | S | * | * | S | Bend | trans | -120 | 34.9 | 175.2 | 65.8 | 0 | 0 | 0 | 0 | 115.7 | S1443 T1447 | S1443-S1445 PolarHBondContact O-N 3Å; S1445-T1447 VanDerWaalsContact C-N 3.26Å |
| 1446 | S | 26 | Very low | 31 | Very low | 102.6 Ų | 102.6 | 109.1 Ų | 109.1 | 72% | 0.717 | 68% | 0.679 | S | S | * | * | S | Bend | trans | -111.7 | 29.3 | 174.1 | 62.2 | 0 | 0 | 0 | 0 | 117.6 | ||
| 1447 | T | 26.1 | Very low | 29.4 | Very low | 126.8 Ų | 126.8 | 112 Ų | 112 | 78% | 0.778 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -151.2 | 53.9 | 166.5 | 42.8 | 0 | 0 | 0 | 0 | 114.4 | S1445 A1449 | S1445-T1447 VanDerWaalsContact C-N 3.26Å; T1447-A1449 VanDerWaalsContact C-N 3.3Å; T1447-A1449 PolarHBondContact O-N 2.89Å |
| 1448 | A | 26.8 | Very low | 28 | Very low | 104 Ų | 104 | 115.9 Ų | 115.9 | 86% | 0.86 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -132.3 | 53.4 | 165.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | G1450 | A1448-G1450 PolarHBondContact O-N 2.96Š|
| 1449 | A | 25.7 | Very low | 27.3 | Very low | 97.8 Ų | 97.8 | 118.9 Ų | 118.9 | 81% | 0.808 | 74% | 0.737 | S | S | * | * | trans | -151.2 | 97.3 | 166.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | T1447 | T1447-A1449 VanDerWaalsContact C-N 3.3Å; T1447-A1449 PolarHBondContact O-N 2.89Å | ||
| 1450 | G | 24.4 | Very low | 26.7 | Very low | 71.8 Ų | 71.8 | 119.1 Ų | 119.1 | 74% | 0.74 | 75% | 0.751 | S | S | * | * | trans | -86.9 | 114.8 | 167.5 | 0 | 0 | 0 | 0 | 0 | 114 | A1448 L1452 | A1448-G1450 PolarHBondContact O-N 2.96Å; G1450-L1452 PolarHBondContact O-N 3.23Å; G1450-L1452 VanDerWaalsContact O-N 3.1Å | ||
| 1451 | C | 23.7 | Very low | 26.4 | Very low | 130.2 Ų | 130.2 | 122.1 Ų | 122.1 | 88% | 0.88 | 77% | 0.772 | S | S | * | * | trans | 68.1 | 96.3 | 170.5 | -88.7 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 1452 | L | 25.9 | Very low | 26.1 | Very low | 162.2 Ų | 162.2 | 122.9 Ų | 122.9 | 85% | 0.849 | 78% | 0.778 | S | S | * | * | trans | -155.2 | 129.4 | 149 | -76.3 | 171.3 | 0 | 0 | 0 | 112.7 | G1450 N1454 | G1450-L1452 PolarHBondContact O-N 3.23Å; G1450-L1452 VanDerWaalsContact O-N 3.1Å; L1452-N1454 PolarHBondContact O-N 3.44Å | ||
| 1453 | T | 25.3 | Very low | 25.8 | Very low | 130.2 Ų | 130.2 | 123.6 Ų | 123.6 | 80% | 0.799 | 78% | 0.783 | S | S | * | * | trans | -20.5 | 133.6 | 174.8 | 57.1 | 0 | 0 | 0 | 0 | 115.6 | R1455 | T1453-R1455 PolarHBondContact O-N 3.26Š| ||
| 1454 | N | 24.5 | Very low | 25.7 | Very low | 158 Ų | 158 | 124.4 Ų | 124.4 | 85% | 0.845 | 79% | 0.788 | S | S | * | * | trans | -29.8 | 128.4 | 167.3 | -75.1 | -29.7 | 0 | 0 | 0 | 114.4 | L1452 | L1452-N1454 PolarHBondContact O-N 3.44Š| ||
| 1455 | R | 26.6 | Very low | 25.5 | Very low | 225.8 Ų | 225.8 | 121.4 Ų | 121.4 | 85% | 0.852 | 78% | 0.78 | S | S | * | * | trans | -136.3 | 135.5 | 142.4 | -131 | 174.8 | -130.2 | -151.1 | 1.1 | 112.4 | T1453 I1457 | T1453-R1455 PolarHBondContact O-N 3.26Å; R1455-I1457 PolarHBondContact O-N 3.38Å | ||
| 1456 | S | 23.7 | Very low | 25.5 | Very low | 104.6 Ų | 104.6 | 121 Ų | 121 | 73% | 0.731 | 78% | 0.777 | S | S | * | * | trans | -56.6 | 124.5 | 171.2 | 52.7 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 1457 | I | 28.9 | Very low | 25.7 | Very low | 138.2 Ų | 138.2 | 122 Ų | 122 | 71% | 0.709 | 77% | 0.773 | S | S | * | * | trans | -149.3 | 129 | 144 | -74.3 | 171.4 | 0 | 0 | 0 | 108.6 | R1455 M1600 | R1455-I1457 PolarHBondContact O-N 3.38Å; I1457-M1600 HydrophobicContact CB-CE 4.48Å; I1457-M1600 HydrophobicContact CD1-CE 3.9Å; I1457-M1600 HydrophobicContact CG2-CE 3.85Å; I1457-M1600 HydrophobicContact CG2-SD 4.37Å | ||
| 1458 | T | 23.7 | Very low | 26.1 | Very low | 121.8 Ų | 121.8 | 119.9 Ų | 119.9 | 75% | 0.747 | 76% | 0.76 | S | S | * | * | trans | -49.7 | 138.4 | 179.1 | 50.8 | 0 | 0 | 0 | 0 | 114.8 | S1460 | T1458-S1460 PolarHBondContact O-N 3.21Š| ||
| 1459 | P | 27.6 | Very low | 26.8 | Very low | 128 Ų | 128 | 118.1 Ų | 118.1 | 83% | 0.831 | 74% | 0.739 | S | S | * | * | trans | -90.9 | 122.9 | 165.3 | 27.1 | -21.8 | 0 | 0 | 0 | 111.5 | ||||
| 1460 | S | 23.7 | Very low | 27.7 | Very low | 105.4 Ų | 105.4 | 117.6 Ų | 117.6 | 74% | 0.737 | 73% | 0.726 | S | S | * | * | trans | -81.6 | 139 | 170.8 | 53 | 0 | 0 | 0 | 0 | 111.7 | T1458 S1462 | T1458-S1460 PolarHBondContact O-N 3.21Å; S1460-S1462 PolarHBondContact O-N 3.09Å | ||
| 1461 | S | 24.5 | Very low | 29.1 | Very low | 117.4 Ų | 117.4 | 116.6 Ų | 116.6 | 82% | 0.821 | 70% | 0.703 | S | S | * | * | trans | -13.8 | 106.5 | 168.1 | 54.8 | 0 | 0 | 0 | 0 | 116.3 | S1463 | S1461-S1463 PolarHBondContact O-N 3.22Š| ||
| 1462 | S | 25.5 | Very low | 30.5 | Very low | 109.8 Ų | 109.8 | 113.6 Ų | 113.6 | 77% | 0.768 | 68% | 0.68 | S | S | * | * | trans | -146.5 | 106.3 | 149.5 | 55.4 | 0 | 0 | 0 | 0 | 111.2 | S1460 S1464 | S1460-S1462 PolarHBondContact O-N 3.09Å; S1462-S1464 VanDerWaalsContact C-N 3.34Å; S1462-S1464 PolarHBondContact O-N 2.99Å; S1462-S1464 VanDerWaalsContact O-N 3.14Å | ||
| 1463 | S | 24.4 | Very low | 32 | Very low | 118.2 Ų | 118.2 | 111.5 Ų | 111.5 | 83% | 0.827 | 67% | 0.67 | S | S | * | * | trans | -78.7 | 86.7 | 178.7 | 39.4 | 0 | 0 | 0 | 0 | 111 | S1461 S1465 | S1461-S1463 PolarHBondContact O-N 3.22Å; S1463-S1465 PolarHBondContact O-N 3.03Å; S1463-S1465 VanDerWaalsContact O-N 3.12Å | ||
| 1464 | S | 25.1 | Very low | 33.6 | Very low | 103 Ų | 103 | 111.8 Ų | 111.8 | 72% | 0.72 | 67% | 0.667 | S | S | * | * | trans | -86.8 | 101.1 | 163.7 | -30.3 | 0 | 0 | 0 | 0 | 108.7 | S1462 S1466 | S1462-S1464 VanDerWaalsContact C-N 3.34Å; S1462-S1464 PolarHBondContact O-N 2.99Å; S1462-S1464 VanDerWaalsContact O-N 3.14Å; S1464-S1466 VanDerWaalsContact C-N 3.29Å; S1464-S1466 PolarHBondContact O-N 3.28Å | ||
| 1465 | S | 25.4 | Very low | 36.1 | Very low | 88.8 Ų | 88.8 | 105.1 Ų | 105.1 | 62% | 0.621 | 63% | 0.631 | S | S | * | * | trans | -68.5 | 96 | 172.3 | 48.6 | 0 | 0 | 0 | 0 | 111 | Q907 S1463 I1467 | Q907-S1465 VanDerWaalsContact OE1-CB 3.26Å; S1463-S1465 PolarHBondContact O-N 3.03Å; S1463-S1465 VanDerWaalsContact O-N 3.12Å; S1465-I1467 PolarHBondContact O-N 3.23Å; S1465-I1467 VanDerWaalsContact O-N 3.1Å | ||
| 1466 | S | 27 | Very low | 39 | Very low | 96.6 Ų | 96.6 | 95.2 Ų | 95.2 | 68% | 0.676 | 60% | 0.595 | S | S | * | * | trans | -50 | 84.6 | 170.2 | -58 | 0 | 0 | 0 | 0 | 111.7 | S1464 T1468 | S1464-S1466 VanDerWaalsContact C-N 3.29Å; S1464-S1466 PolarHBondContact O-N 3.28Å; S1466-T1468 VanDerWaalsContact C-N 3.28Å; S1466-T1468 PolarHBondContact O-N 3.17Å | ||
| 1467 | I | 31.1 | Very low | 42.2 | Very low | 122.8 Ų | 122.8 | 90.2 Ų | 90.2 | 63% | 0.63 | 56% | 0.561 | S | S | * | * | trans | -71.2 | 85.3 | 176.7 | -56.6 | 170.9 | 0 | 0 | 0 | 108.2 | V696 P1341 S1465 T1469 | V696-I1467 HydrophobicContact CG1-CD1 3.84Å; V696-I1467 HydrophobicContact CG1-CG1 3.88Å; P1341-I1467 HydrophobicContact CG-CB 4.48Å; P1341-I1467 HydrophobicContact CG-CD1 3.81Å; P1341-I1467 HydrophobicContact CG-CG2 4.13Å; S1465-I1467 PolarHBondContact O-N 3.23Å; S1465-I1467 VanDerWaalsContact O-N 3.1Å; I1467-T1469 HydrophobicContact CG2-CG2 4.27Å; I1467-T1469 PolarHBondContact O-N 3.13Å; I1467-T1469 PolarHBondContact O-OG1 3.1Å | ||
| 1468 | T | 34.8 | Very low | 44.8 | Very low | 83.8 Ų | 83.8 | 88.8 Ų | 88.8 | 51% | 0.514 | 55% | 0.55 | S | S | . | . | trans | -67.4 | 83 | 162.3 | 40.8 | 0 | 0 | 0 | 0 | 110.4 | S1466 T1470 | S1466-T1468 VanDerWaalsContact C-N 3.28Å; S1466-T1468 PolarHBondContact O-N 3.17Å; T1468-T1470 PolarHBondContact O-N 3.17Å | ||
| 1469 | T | 40.6 | Very low | 47.8 | Very low | 65.8 Ų | 65.8 | 83.9 Ų | 83.9 | 40% | 0.404 | 52% | 0.523 | S | S | . | . | trans | -68.8 | 83.9 | 166.4 | 35.8 | 0 | 0 | 0 | 0 | 109 | G1354 I1467 I1471 | G1354-T1469 WeakPolarHBondContact CA-OG1 3.37Å; I1467-T1469 HydrophobicContact CG2-CG2 4.27Å; I1467-T1469 PolarHBondContact O-N 3.13Å; I1467-T1469 PolarHBondContact O-OG1 3.1Å; T1469-I1471 PolarHBondContact O-N 3.3Å; T1469-I1471 WeakPolarHBondContact OG1-CG1 3.14Å | ||
| 1470 | T | 45.6 | Very low | 50.8 | Low | 87.6 Ų | 87.6 | 77.8 Ų | 77.8 | 54% | 0.537 | 48% | 0.483 | S | S | . | . | trans | -63.6 | 111.6 | 163.9 | 25.3 | 0 | 0 | 0 | 0 | 107.3 | V1353 F1355 T1468 T1472 | V1353-T1470 VanDerWaalsContact O-CG2 3.27Å; V1353-T1470 WeakPolarHBondContact O-CG2 3.46Å; F1355-T1470 HydrophobicContact CE1-CG2 4.45Å; F1355-T1470 HydrophobicContact CZ-CG2 4.49Å; T1468-T1470 PolarHBondContact O-N 3.17Å; T1470-T1472 VanDerWaalsContact C-N 3.3Å; T1470-T1472 HydrophobicContact CG2-CG2 4.03Å; T1470-T1472 PolarHBondContact O-N 2.97Å | ||
| 1471 | I | 54 | Low | 54 | Low | 51.2 Ų | 51.2 | 73.7 Ų | 73.7 | 26% | 0.263 | 46% | 0.455 | S | S | . | . | trans | -64.9 | 100 | 174.3 | -57.4 | 173.9 | 0 | 0 | 0 | 106 | V1353 F1355 L1437 T1469 N1473 N1475 F1478 | V1353-I1471 WeakPolarHBondContact O-CD1 3.46Å; V1353-I1471 VanDerWaalsContact O-CG1 3.27Å; V1353-I1471 WeakPolarHBondContact O-CG1 3.3Å; F1355-I1471 HydrophobicContact CZ-CD1 4.12Å; L1437-I1471 HydrophobicContact CD1-CD1 3.93Å; L1437-I1471 HydrophobicContact CD2-CD1 4Å; L1437-I1471 HydrophobicContact CD2-CG1 4.24Å; T1469-I1471 PolarHBondContact O-N 3.3Å; T1469-I1471 WeakPolarHBondContact OG1-CG1 3.14Å; I1471-N1473 HydrophobicContact CG2-CB 4.16Å; I1471-N1475 HydrophobicContact CG2-CB 3.96Å; I1471-F1478 HydrophobicContact CG2-CB 4.12Å; I1471-F1478 HydrophobicContact CG2-CD2 4.18Å; I1471-F1478 HydrophobicContact CG2-CG 4.5Å; I1471-F1478 VanDerWaalsContact O-CD2 3.32Å; I1471-F1478 WeakPolarHBondContact O-CD2 3.45Å | ||
| 1472 | T | 53.3 | Low | 57 | Low | 66.4 Ų | 66.4 | 72.4 Ų | 72.4 | 41% | 0.407 | 44% | 0.438 | S | S | . | . | trans | -72.2 | 145.4 | 175.9 | 53.4 | 0 | 0 | 0 | 0 | 110.3 | T1470 D1474 N1475 F1477 F1478 | T1470-T1472 VanDerWaalsContact C-N 3.3Å; T1470-T1472 HydrophobicContact CG2-CG2 4.03Å; T1470-T1472 PolarHBondContact O-N 2.97Å; T1472-D1474 PolarHBondContact O-N 2.91Å; T1472-D1474 VanDerWaalsContact O-N 3.07Å; T1472-N1475 WeakPolarHBondContact O-CB 3.22Å; T1472-N1475 PolarHBondContact O-N 3.1Å; T1472-N1475 PolarHBondContact O-OD1 3.11Å; T1472-F1477 HydrophobicContact CG2-CB 4.45Å; T1472-F1478 WeakPolarHBondContact O-CB 3.5Å; T1472-F1478 WeakPolarHBondContact O-CD2 3.49Å; T1472-F1478 WeakPolarHBondContact OG1-CD2 3.33Å | ||
| 1473 | N | 56.2 | Low | 60.1 | Low | 118.8 Ų | 118.8 | 71 Ų | 71 | 64% | 0.635 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | -11.1 | 179.1 | -66.3 | -0.3 | 0 | 0 | 0 | 112.1 | I1471 N1475 F1478 | I1471-N1473 HydrophobicContact CG2-CB 4.16Å; N1473-N1475 VanDerWaalsContact C-N 3.32Å; N1473-N1475 PolarHBondContact O-N 3.29Å; N1473-F1478 HydrophobicContact CB-CE2 4.46Å; N1473-F1478 HydrophobicContact CB-CZ 4.46Å; N1473-F1478 WeakPolarHBondContact OD1-CE2 3.3Å; N1473-F1478 VanDerWaalsContact OD1-CZ 3.31Å; N1473-F1478 WeakPolarHBondContact OD1-CZ 3.36Å |
| 1474 | D | 58.8 | Low | 63.4 | Low | 136.4 Ų | 136.4 | 65.4 Ų | 65.4 | 73% | 0.729 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.2 | 0.2 | -177.3 | -50.7 | -40.4 | 0 | 0 | 0 | 114.8 | S1374 T1472 | S1374-D1474 VanDerWaalsContact CB-O 3.27Å; S1374-D1474 WeakPolarHBondContact CB-O 3.43Å; S1374-D1474 PolarHBondContact OG-O 3.29Å; T1472-D1474 PolarHBondContact O-N 2.91Å; T1472-D1474 VanDerWaalsContact O-N 3.07Å |
| 1475 | N | 77.7 | Confident | 66.7 | Low | 17.6 Ų | 17.6 | 64.7 Ų | 64.7 | 9% | 0.094 | 36% | 0.362 | C | S | . | . | S | Bend | trans | -94.7 | 141 | -179.9 | 171.9 | -8.5 | 0 | 0 | 0 | 112.1 | R1351 I1471 T1472 N1473 F1477 F1478 | R1351-N1475 PolarHBondContact NH2-ND2 3Å; R1351-N1475 VanDerWaalsContact NH2-ND2 3.18Å; I1471-N1475 HydrophobicContact CG2-CB 3.96Å; T1472-N1475 WeakPolarHBondContact O-CB 3.22Å; T1472-N1475 PolarHBondContact O-N 3.1Å; T1472-N1475 PolarHBondContact O-OD1 3.11Å; N1473-N1475 VanDerWaalsContact C-N 3.32Å; N1473-N1475 PolarHBondContact O-N 3.29Å; N1475-F1477 PolarHBondContact O-N 3.18Å; N1475-F1477 VanDerWaalsContact O-N 3.13Å; N1475-F1477 WeakPolarHBondContact OD1-CA 3.45Å; N1475-F1477 WeakPolarHBondContact OD1-CB 3.4Å; N1475-F1477 VanDerWaalsContact OD1-CD2 3.26Å; N1475-F1477 WeakPolarHBondContact OD1-CD2 3.27Å; N1475-F1477 PolarHBondContact OD1-N 3.29Å; N1475-F1478 VanDerWaalsContact O-CB 3.28Å; N1475-F1478 WeakPolarHBondContact O-CB 3.39Å; N1475-F1478 PolarHBondContact O-N 3.01Å; N1475-F1478 VanDerWaalsContact O-N 3.12Å; N1475-F1478 PolarHBondContact OD1-N 3Å |
| 1476 | V | 87.9 | Confident | 69.8 | Low | 16.6 Ų | 16.6 | 63.2 Ų | 63.2 | 10% | 0.101 | 36% | 0.355 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | -28 | 177.7 | 114.9 | 0 | 0 | 0 | 0 | 113.2 | V1372 N1379 R1380 V1383 F1478 | V1372-V1476 HydrophobicContact CB-CG1 4.35Å; V1372-V1476 HydrophobicContact CG1-CB 4.43Å; V1372-V1476 HydrophobicContact CG1-CG1 3.74Å; V1372-V1476 HydrophobicContact CG1-CG2 3.96Å; N1379-V1476 HydrophobicContact CB-CG1 4.13Å; N1379-V1476 HydrophobicContact CB-CG2 4.06Å; R1380-V1476 HydrophobicContact CB-CG2 4.43Å; R1380-V1476 HydrophobicContact CG-CG1 4Å; R1380-V1476 HydrophobicContact CG-CG2 3.64Å; V1383-V1476 HydrophobicContact CB-CG1 4.05Å; V1383-V1476 HydrophobicContact CG2-CB 4.45Å; V1383-V1476 HydrophobicContact CG2-CG1 4.02Å; V1383-V1476 HydrophobicContact CG2-CG2 4.27Å; V1476-F1478 VanDerWaalsContact C-N 3.26Å; V1476-F1478 PolarHBondContact O-N 3.15Å |
| 1477 | F | 90.1 | Very high | 73 | Confident | 1 Ų | 1 | 62.2 Ų | 62.2 | 0% | 0.004 | 34% | 0.339 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.7 | -0.2 | 179.2 | -59.4 | -78.5 | 0 | 0 | 0 | 113.3 | I1344 V1353 F1355 F1363 V1372 V1383 I1386 T1472 N1475 G1479 L1480 | I1344-F1477 HydrophobicContact CD1-CD1 3.82Å; I1344-F1477 HydrophobicContact CD1-CD2 3.5Å; I1344-F1477 HydrophobicContact CD1-CE1 4.15Å; I1344-F1477 HydrophobicContact CD1-CE2 3.8Å; I1344-F1477 HydrophobicContact CD1-CG 3.82Å; I1344-F1477 HydrophobicContact CD1-CZ 3.97Å; I1344-F1477 HydrophobicContact CG1-CE2 4.19Å; I1344-F1477 HydrophobicContact CG1-CZ 4.19Å; I1344-F1477 HydrophobicContact CG2-CE2 4.33Å; I1344-F1477 HydrophobicContact CG2-CZ 3.84Å; V1353-F1477 HydrophobicContact CG1-CD2 4.29Å; V1353-F1477 HydrophobicContact CG2-CB 4.46Å; V1353-F1477 HydrophobicContact CG2-CD2 4.28Å; V1353-F1477 HydrophobicContact CG2-CG 4.4Å; F1355-F1477 HydrophobicContact CE2-CB 4.08Å; F1355-F1477 HydrophobicContact CE2-CD1 4.21Å; F1355-F1477 HydrophobicContact CE2-CG 4.27Å; F1355-F1477 HydrophobicContact CZ-CB 4.45Å; F1363-F1477 HydrophobicContact CE1-CE1 4.28Å; F1363-F1477 AromaticContact CE1-CZ 3.95Å; F1363-F1477 HydrophobicContact CE1-CZ 4.05Å; F1363-F1477 HydrophobicContact CE2-CZ 4.16Å; F1363-F1477 AromaticContact CZ-CE1 3.87Å; F1363-F1477 HydrophobicContact CZ-CE1 3.87Å; F1363-F1477 AromaticContact CZ-CZ 3.71Å; F1363-F1477 HydrophobicContact CZ-CZ 3.71Å; V1372-F1477 HydrophobicContact CB-CE2 4.31Å; V1372-F1477 HydrophobicContact CG1-CE2 4.43Å; V1372-F1477 HydrophobicContact CG2-CE2 4.04Å; V1372-F1477 HydrophobicContact CG2-CZ 4.26Å; V1383-F1477 HydrophobicContact CG1-CD1 4.26Å; V1383-F1477 HydrophobicContact CG2-CD1 3.73Å; V1383-F1477 HydrophobicContact CG2-CE1 3.53Å; V1383-F1477 VanDerWaalsContact CG2-CE1 3.48Å; V1383-F1477 HydrophobicContact CG2-CZ 4.21Å; I1386-F1477 HydrophobicContact CD1-CE1 4.38Å; T1472-F1477 HydrophobicContact CG2-CB 4.45Å; N1475-F1477 PolarHBondContact O-N 3.18Å; N1475-F1477 VanDerWaalsContact O-N 3.13Å; N1475-F1477 WeakPolarHBondContact OD1-CA 3.45Å; N1475-F1477 WeakPolarHBondContact OD1-CB 3.4Å; N1475-F1477 VanDerWaalsContact OD1-CD2 3.26Å; N1475-F1477 WeakPolarHBondContact OD1-CD2 3.27Å; N1475-F1477 PolarHBondContact OD1-N 3.29Å; F1477-G1479 VanDerWaalsContact C-N 3.27Å; F1477-G1479 PolarHBondContact O-N 3.18Å; F1477-L1480 HydrophobicContact CD1-CD2 3.91Å; F1477-L1480 VanDerWaalsContact O-CB 3.27Å; F1477-L1480 WeakPolarHBondContact O-CB 3.4Å; F1477-L1480 PolarHBondContact O-N 2.99Å; F1477-L1480 VanDerWaalsContact O-N 3.11Å |
| 1478 | F | 84.6 | Confident | 76.1 | Confident | 108.2 Ų | 108.2 | 56.3 Ų | 56.3 | 48% | 0.475 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | 122.4 | 176.6 | -175.2 | -101.5 | 0 | 0 | 0 | 111.6 | I1471 T1472 N1473 N1475 V1476 L1480 | I1471-F1478 HydrophobicContact CG2-CB 4.12Å; I1471-F1478 HydrophobicContact CG2-CD2 4.18Å; I1471-F1478 HydrophobicContact CG2-CG 4.5Å; I1471-F1478 VanDerWaalsContact O-CD2 3.32Å; I1471-F1478 WeakPolarHBondContact O-CD2 3.45Å; T1472-F1478 WeakPolarHBondContact O-CB 3.5Å; T1472-F1478 WeakPolarHBondContact O-CD2 3.49Å; T1472-F1478 WeakPolarHBondContact OG1-CD2 3.33Å; N1473-F1478 HydrophobicContact CB-CE2 4.46Å; N1473-F1478 HydrophobicContact CB-CZ 4.46Å; N1473-F1478 WeakPolarHBondContact OD1-CE2 3.3Å; N1473-F1478 VanDerWaalsContact OD1-CZ 3.31Å; N1473-F1478 WeakPolarHBondContact OD1-CZ 3.36Å; N1475-F1478 VanDerWaalsContact O-CB 3.28Å; N1475-F1478 WeakPolarHBondContact O-CB 3.39Å; N1475-F1478 PolarHBondContact O-N 3.01Å; N1475-F1478 VanDerWaalsContact O-N 3.12Å; N1475-F1478 PolarHBondContact OD1-N 3Å; V1476-F1478 VanDerWaalsContact C-N 3.26Å; V1476-F1478 PolarHBondContact O-N 3.15Å; F1478-L1480 VanDerWaalsContact C-N 3.29Å; F1478-L1480 PolarHBondContact O-N 3.11Å |
| 1479 | G | 85.9 | Confident | 78.9 | Confident | 18.2 Ų | 18.2 | 53.4 Ų | 53.4 | 19% | 0.188 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 74.2 | -8.1 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | F1477 S1481 N1482 Q1483 | F1477-G1479 VanDerWaalsContact C-N 3.27Å; F1477-G1479 PolarHBondContact O-N 3.18Å; G1479-S1481 VanDerWaalsContact C-N 3.28Å; G1479-S1481 PolarHBondContact O-N 3.05Å; G1479-N1482 WeakPolarHBondContact O-CA 3.16Å; G1479-N1482 WeakPolarHBondContact O-CB 3.37Å; G1479-N1482 PolarHBondContact O-N 3.1Å; G1479-N1482 VanDerWaalsContact O-N 3.08Å; G1479-Q1483 WeakPolarHBondContact O-CG 3.38Å; G1479-Q1483 PolarHBondContact O-N 3.12Å |
| 1480 | L | 91.1 | Very high | 81.3 | Confident | 0.2 Ų | 0.2 | 55.9 Ų | 55.9 | 0% | 0.001 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -61.1 | -37.6 | 179.8 | 176.4 | 59.6 | 0 | 0 | 0 | 111.9 | F1355 I1359 V1383 I1386 P1387 F1477 F1478 N1482 Q1483 L1484 | F1355-L1480 HydrophobicContact CE1-CD2 4.22Å; F1355-L1480 HydrophobicContact CE1-CG 4.41Å; F1355-L1480 HydrophobicContact CE2-CD2 3.93Å; F1355-L1480 HydrophobicContact CZ-CB 4.1Å; F1355-L1480 HydrophobicContact CZ-CD2 3.61Å; F1355-L1480 HydrophobicContact CZ-CG 4Å; I1359-L1480 HydrophobicContact CD1-CD2 4.19Å; V1383-L1480 HydrophobicContact CG1-CB 4.19Å; V1383-L1480 HydrophobicContact CG1-CD1 4.29Å; V1383-L1480 HydrophobicContact CG1-CD2 4.29Å; V1383-L1480 HydrophobicContact CG1-CG 4.48Å; I1386-L1480 HydrophobicContact CB-CD1 3.99Å; I1386-L1480 HydrophobicContact CB-CD2 4.47Å; I1386-L1480 HydrophobicContact CD1-CD2 3.96Å; I1386-L1480 HydrophobicContact CG2-CD1 4.03Å; I1386-L1480 HydrophobicContact CG2-CD2 4.2Å; P1387-L1480 HydrophobicContact CG-CD1 3.84Å; F1477-L1480 HydrophobicContact CD1-CD2 3.91Å; F1477-L1480 VanDerWaalsContact O-CB 3.27Å; F1477-L1480 WeakPolarHBondContact O-CB 3.4Å; F1477-L1480 PolarHBondContact O-N 2.99Å; F1477-L1480 VanDerWaalsContact O-N 3.11Å; F1478-L1480 VanDerWaalsContact C-N 3.29Å; F1478-L1480 PolarHBondContact O-N 3.11Å; L1480-N1482 VanDerWaalsContact C-N 3.34Å; L1480-N1482 PolarHBondContact O-N 3.12Å; L1480-Q1483 PolarHBondContact O-N 3.02Å; L1480-L1484 HydrophobicContact CD1-CD1 4.31Å; L1480-L1484 HydrophobicContact CD1-CG 4.19Å; L1480-L1484 HydrophobicContact CG-CD1 4.07Å; L1480-L1484 HydrophobicContact CG-CG 4.44Å; L1480-L1484 WeakPolarHBondContact O-CB 3.4Å; L1480-L1484 WeakPolarHBondContact O-CG 3.32Å; L1480-L1484 PolarHBondContact O-N 3.02Å |
| 1481 | S | 89.2 | Confident | 83.6 | Confident | 20 Ų | 20 | 53.8 Ų | 53.8 | 14% | 0.14 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -58.2 | -45.3 | 173.4 | 55 | 0 | 0 | 0 | 0 | 111.9 | G1479 Q1483 L1484 R1485 W1627 | G1479-S1481 VanDerWaalsContact C-N 3.28Å; G1479-S1481 PolarHBondContact O-N 3.05Å; S1481-Q1483 VanDerWaalsContact C-N 3.35Å; S1481-Q1483 PolarHBondContact O-N 2.9Å; S1481-L1484 PolarHBondContact O-N 3.26Å; S1481-R1485 WeakPolarHBondContact O-CB 3.33Å; S1481-R1485 PolarHBondContact O-N 3.03Å; S1481-W1627 WeakPolarHBondContact O-CH2 3.35Å; S1481-W1627 VanDerWaalsContact O-CZ2 3.27Å; S1481-W1627 WeakPolarHBondContact O-CZ2 3.36Å |
| 1482 | N | 88 | Confident | 85.5 | Confident | 88.6 Ų | 88.6 | 53.6 Ų | 53.6 | 47% | 0.474 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -67 | -36.2 | 177.1 | -70.3 | -27.4 | 0 | 0 | 0 | 112.3 | G1479 L1480 R1485 A1486 W1677 | G1479-N1482 WeakPolarHBondContact O-CA 3.16Å; G1479-N1482 WeakPolarHBondContact O-CB 3.37Å; G1479-N1482 PolarHBondContact O-N 3.1Å; G1479-N1482 VanDerWaalsContact O-N 3.08Å; L1480-N1482 VanDerWaalsContact C-N 3.34Å; L1480-N1482 PolarHBondContact O-N 3.12Å; N1482-R1485 WeakPolarHBondContact O-CB 3.42Å; N1482-R1485 PolarHBondContact O-N 3.2Å; N1482-A1486 VanDerWaalsContact O-CB 3.31Å; N1482-A1486 WeakPolarHBondContact O-CB 3.42Å; N1482-A1486 PolarHBondContact O-N 3.25Å; N1482-W1677 WeakPolarHBondContact OD1-CZ3 3.25Å |
| 1483 | Q | 92 | Very high | 87.5 | Confident | 82.2 Ų | 82.2 | 50.7 Ų | 50.7 | 38% | 0.384 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -67.5 | -43.7 | 175.1 | -65.3 | 174.8 | 22.9 | 0 | 0 | 111.8 | P1387 G1479 L1480 S1481 R1485 A1486 K1487 | P1387-Q1483 HydrophobicContact CB-CB 4.41Å; P1387-Q1483 HydrophobicContact CG-CB 3.63Å; G1479-Q1483 WeakPolarHBondContact O-CG 3.38Å; G1479-Q1483 PolarHBondContact O-N 3.12Å; L1480-Q1483 PolarHBondContact O-N 3.02Å; S1481-Q1483 VanDerWaalsContact C-N 3.35Å; S1481-Q1483 PolarHBondContact O-N 2.9Å; Q1483-R1485 VanDerWaalsContact C-N 3.34Å; Q1483-R1485 PolarHBondContact O-N 2.81Å; Q1483-A1486 PolarHBondContact O-N 3.07Å; Q1483-K1487 WeakPolarHBondContact O-CB 3.35Å; Q1483-K1487 PolarHBondContact O-N 2.98Å |
| 1484 | L | 93.9 | Very high | 89.4 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -58.8 | -48 | 172.3 | -77.8 | 166 | 0 | 0 | 0 | 110.6 | F1355 F1357 P1387 F1390 P1434 L1480 S1481 A1486 K1487 L1488 W1627 | F1355-L1484 HydrophobicContact CE1-CD1 4.34Å; F1357-L1484 HydrophobicContact CE1-CD1 4.43Å; F1357-L1484 HydrophobicContact CZ-CD1 4.03Å; P1387-L1484 HydrophobicContact CB-CD2 4.45Å; F1390-L1484 HydrophobicContact CB-CD2 3.77Å; F1390-L1484 HydrophobicContact CD1-CD2 4.46Å; F1390-L1484 HydrophobicContact CD2-CD2 3.87Å; F1390-L1484 HydrophobicContact CG-CD2 3.8Å; P1434-L1484 HydrophobicContact CG-CD1 4.19Å; L1480-L1484 HydrophobicContact CD1-CD1 4.31Å; L1480-L1484 HydrophobicContact CD1-CG 4.19Å; L1480-L1484 HydrophobicContact CG-CD1 4.07Å; L1480-L1484 HydrophobicContact CG-CG 4.44Å; L1480-L1484 WeakPolarHBondContact O-CB 3.4Å; L1480-L1484 WeakPolarHBondContact O-CG 3.32Å; L1480-L1484 PolarHBondContact O-N 3.02Å; S1481-L1484 PolarHBondContact O-N 3.26Å; L1484-A1486 PolarHBondContact O-N 3.04Å; L1484-K1487 PolarHBondContact O-N 3.19Å; L1484-L1488 HydrophobicContact CB-CD1 4.49Å; L1484-L1488 HydrophobicContact CD2-CD1 4.37Å; L1484-L1488 VanDerWaalsContact O-CB 3.28Å; L1484-L1488 WeakPolarHBondContact O-CB 3.18Å; L1484-L1488 VanDerWaalsContact O-CG 3.25Å; L1484-L1488 WeakPolarHBondContact O-CG 3.41Å; L1484-L1488 PolarHBondContact O-N 3.03Å; L1484-W1627 HydrophobicContact CB-CH2 4.24Å |
| 1485 | R | 93.2 | Very high | 91 | Very high | 87.8 Ų | 87.8 | 38.5 Ų | 38.5 | 33% | 0.331 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -54.4 | -53.2 | 175.3 | -168.7 | -173.4 | 178.9 | -170.8 | 0.5 | 111.2 | S1481 N1482 Q1483 K1487 L1488 S1489 W1627 | S1481-R1485 WeakPolarHBondContact O-CB 3.33Å; S1481-R1485 PolarHBondContact O-N 3.03Å; N1482-R1485 WeakPolarHBondContact O-CB 3.42Å; N1482-R1485 PolarHBondContact O-N 3.2Å; Q1483-R1485 VanDerWaalsContact C-N 3.34Å; Q1483-R1485 PolarHBondContact O-N 2.81Å; R1485-K1487 VanDerWaalsContact C-N 3.29Å; R1485-K1487 PolarHBondContact O-N 3.07Å; R1485-L1488 PolarHBondContact O-N 3.05Å; R1485-S1489 WeakPolarHBondContact O-CB 3.38Å; R1485-S1489 PolarHBondContact O-N 3.19Å; R1485-S1489 PolarHBondContact O-OG 3.21Å; R1485-W1627 HydrophobicContact CB-CH2 3.8Å; R1485-W1627 HydrophobicContact CB-CZ2 3.56Å; R1485-W1627 HydrophobicContact CB-CZ3 4.26Å; R1485-W1627 WeakPolarHBondContact CD-O 3.33Å; R1485-W1627 HydrophobicContact CG-CD2 4.27Å; R1485-W1627 HydrophobicContact CG-CE3 4.38Å; R1485-W1627 HydrophobicContact CG-CH2 4.25Å; R1485-W1627 HydrophobicContact CG-CZ2 4.15Å; R1485-W1627 HydrophobicContact CG-CZ3 4.4Å; R1485-W1627 VanDerWaalsContact CZ-O 3.26Å; R1485-W1627 PolarHBondContact NE-O 3.21Å; R1485-W1627 PolarHBondContact NH2-O 3.15Å; R1485-W1627 VanDerWaalsContact NH2-O 3.15Å |
| 1486 | A | 91.6 | Very high | 91.8 | Very high | 57.4 Ų | 57.4 | 37.7 Ų | 37.7 | 47% | 0.474 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -63.3 | -34.1 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | N1482 Q1483 L1484 S1489 N1490 | N1482-A1486 VanDerWaalsContact O-CB 3.31Å; N1482-A1486 WeakPolarHBondContact O-CB 3.42Å; N1482-A1486 PolarHBondContact O-N 3.25Å; Q1483-A1486 PolarHBondContact O-N 3.07Å; L1484-A1486 PolarHBondContact O-N 3.04Å; A1486-S1489 PolarHBondContact O-OG 3.03Å; A1486-N1490 PolarHBondContact O-ND2 3.06Å |
| 1487 | K | 93.6 | Very high | 91.9 | Very high | 75.2 Ų | 75.2 | 36.9 Ų | 36.9 | 33% | 0.327 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -74.7 | -53.5 | 175.2 | -175.1 | 80 | 177.7 | -165.7 | 0 | 111.4 | P1387 N1388 S1391 Q1483 L1484 R1485 S1489 N1490 L1491 | P1387-K1487 HydrophobicContact CB-CB 4.2Å; P1387-K1487 HydrophobicContact CB-CG 4.37Å; P1387-K1487 WeakPolarHBondContact O-CG 3.41Å; N1388-K1487 WeakPolarHBondContact OD1-CE 3.32Å; N1388-K1487 PolarHBondContact OD1-NZ 3.07Å; S1391-K1487 VanDerWaalsContact OG-CE 3.28Å; S1391-K1487 WeakPolarHBondContact OG-CE 3.41Å; Q1483-K1487 WeakPolarHBondContact O-CB 3.35Å; Q1483-K1487 PolarHBondContact O-N 2.98Å; L1484-K1487 PolarHBondContact O-N 3.19Å; R1485-K1487 VanDerWaalsContact C-N 3.29Å; R1485-K1487 PolarHBondContact O-N 3.07Å; K1487-S1489 PolarHBondContact O-N 2.85Å; K1487-N1490 PolarHBondContact O-N 3.16Å; K1487-L1491 PolarHBondContact O-N 3.03Å |
| 1488 | L | 95.1 | Very high | 91.8 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -74.7 | -25.3 | -171.4 | -61.9 | -179.8 | 0 | 0 | 0 | 113.6 | F1390 I1394 L1433 L1484 R1485 N1490 L1491 W1493 L1628 | F1390-L1488 HydrophobicContact CD1-CD1 3.84Å; F1390-L1488 HydrophobicContact CD1-CD2 4.05Å; F1390-L1488 HydrophobicContact CD1-CG 4.5Å; F1390-L1488 HydrophobicContact CE1-CD1 3.93Å; I1394-L1488 HydrophobicContact CD1-CD2 3.54Å; I1394-L1488 VanDerWaalsContact CD1-CD2 3.49Å; L1433-L1488 HydrophobicContact CD2-CD1 3.72Å; L1484-L1488 HydrophobicContact CB-CD1 4.49Å; L1484-L1488 HydrophobicContact CD2-CD1 4.37Å; L1484-L1488 VanDerWaalsContact O-CB 3.28Å; L1484-L1488 WeakPolarHBondContact O-CB 3.18Å; L1484-L1488 VanDerWaalsContact O-CG 3.25Å; L1484-L1488 WeakPolarHBondContact O-CG 3.41Å; L1484-L1488 PolarHBondContact O-N 3.03Å; R1485-L1488 PolarHBondContact O-N 3.05Å; L1488-N1490 VanDerWaalsContact C-N 3.28Å; L1488-N1490 PolarHBondContact O-N 2.88Å; L1488-L1491 HydrophobicContact CD2-CD2 4.24Å; L1488-L1491 PolarHBondContact O-N 3.12Å; L1488-W1493 HydrophobicContact CB-CZ2 4.44Å; L1488-W1493 PolarHBondContact O-NE1 2.99Å; L1488-W1493 VanDerWaalsContact O-NE1 3.11Å; L1488-L1628 HydrophobicContact CB-CD2 3.72Å |
| 1489 | S | 93.6 | Very high | 91.8 | Very high | 21.8 Ų | 21.8 | 36.2 Ų | 36.2 | 15% | 0.152 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -28.3 | 174.1 | 60.3 | 0 | 0 | 0 | 0 | 113 | R1485 A1486 K1487 I1514 A1515 L1628 | R1485-S1489 WeakPolarHBondContact O-CB 3.38Å; R1485-S1489 PolarHBondContact O-N 3.19Å; R1485-S1489 PolarHBondContact O-OG 3.21Å; A1486-S1489 PolarHBondContact O-OG 3.03Å; K1487-S1489 PolarHBondContact O-N 2.85Å; S1489-I1514 WeakPolarHBondContact O-CG2 3.18Å; S1489-A1515 PolarHBondContact O-N 3.01Å; S1489-L1628 WeakPolarHBondContact CB-O 3.3Å |
| 1490 | N | 91.7 | Very high | 91.6 | Very high | 119.2 Ų | 119.2 | 37.3 Ų | 37.3 | 64% | 0.637 | 20% | 0.201 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -99.8 | -4.7 | -177.6 | -68.3 | -56.4 | 0 | 0 | 0 | 113.2 | A1486 K1487 L1488 I1514 | A1486-N1490 PolarHBondContact O-ND2 3.06Å; K1487-N1490 PolarHBondContact O-N 3.16Å; L1488-N1490 VanDerWaalsContact C-N 3.28Å; L1488-N1490 PolarHBondContact O-N 2.88Å; N1490-I1514 WeakPolarHBondContact O-CG2 3.39Å |
| 1491 | L | 93.1 | Very high | 91 | Very high | 42 Ų | 42 | 43.9 Ų | 43.9 | 22% | 0.22 | 24% | 0.235 | C | C | . | . | S | Bend | trans | -86.5 | 138.8 | 176.1 | -172.4 | 80.8 | 0 | 0 | 0 | 109.6 | S1391 I1394 K1487 L1488 W1493 I1514 | S1391-L1491 WeakPolarHBondContact OG-CD2 3.34Å; I1394-L1491 HydrophobicContact CB-CD2 4.23Å; I1394-L1491 HydrophobicContact CD1-CD2 4.16Å; I1394-L1491 HydrophobicContact CG2-CD2 3.95Å; K1487-L1491 PolarHBondContact O-N 3.03Å; L1488-L1491 HydrophobicContact CD2-CD2 4.24Å; L1488-L1491 PolarHBondContact O-N 3.12Å; L1491-W1493 HydrophobicContact CD2-CB 3.97Å; L1491-W1493 HydrophobicContact CD2-CG 3.96Å; L1491-W1493 HydrophobicContact CG-CB 4.11Å; L1491-W1493 HydrophobicContact CG-CG 4.21Å; L1491-W1493 VanDerWaalsContact O-CD1 3.28Å; L1491-W1493 PolarHBondContact O-N 3.03Å; L1491-I1514 WeakPolarHBondContact O-CA 3.3Å |
| 1492 | A | 94.5 | Very high | 90.5 | Very high | 48.6 Ų | 48.6 | 48.5 Ų | 48.5 | 40% | 0.402 | 26% | 0.259 | S | S | . | . | S | Bend | trans | -91.2 | 83.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | Y1512 V1513 I1514 | A1492-Y1512 WeakPolarHBondContact O-CB 3.42Å; A1492-V1513 WeakPolarHBondContact CA-O 3.27Å; A1492-I1514 HydrophobicContact CB-CG1 3.87Å; A1492-I1514 HydrophobicContact CB-CG2 4.07Å |
| 1493 | W | 95.1 | Very high | 90 | Very high | 4 Ų | 4 | 44.4 Ų | 44.4 | 2% | 0.015 | 24% | 0.237 | C | C | . | . | trans | -135.9 | -2.6 | -173.4 | 70.3 | -72.7 | 0 | 0 | 0 | 114.6 | I1394 I1426 I1429 I1430 L1433 L1488 L1491 P1495 Y1512 V1513 L1628 | I1394-W1493 HydrophobicContact CD1-CD2 3.8Å; I1394-W1493 HydrophobicContact CD1-CE3 3.76Å; I1394-W1493 HydrophobicContact CD1-CG 4.36Å; I1394-W1493 HydrophobicContact CD1-CH2 4.23Å; I1394-W1493 HydrophobicContact CD1-CZ2 4.26Å; I1394-W1493 HydrophobicContact CD1-CZ3 3.97Å; I1394-W1493 HydrophobicContact CG1-CD2 4.46Å; I1394-W1493 HydrophobicContact CG1-CE3 4.06Å; I1394-W1493 HydrophobicContact CG1-CZ3 4.29Å; I1394-W1493 HydrophobicContact CG2-CB 3.37Å; I1394-W1493 VanDerWaalsContact CG2-CB 3.45Å; I1394-W1493 HydrophobicContact CG2-CD2 3.95Å; I1394-W1493 HydrophobicContact CG2-CE3 3.82Å; I1394-W1493 HydrophobicContact CG2-CG 3.79Å; I1426-W1493 HydrophobicContact CG2-CE3 3.8Å; I1426-W1493 HydrophobicContact CG2-CZ3 3.67Å; I1429-W1493 HydrophobicContact CB-CZ3 4.31Å; I1429-W1493 HydrophobicContact CG2-CH2 3.86Å; I1429-W1493 HydrophobicContact CG2-CZ3 3.8Å; I1430-W1493 HydrophobicContact CD1-CH2 4.5Å; I1430-W1493 HydrophobicContact CG1-CH2 3.78Å; I1430-W1493 HydrophobicContact CG1-CZ2 4.48Å; I1430-W1493 HydrophobicContact CG1-CZ3 4.26Å; L1433-W1493 HydrophobicContact CD1-CH2 4.39Å; L1433-W1493 HydrophobicContact CD1-CZ2 4.39Å; L1488-W1493 HydrophobicContact CB-CZ2 4.44Å; L1488-W1493 PolarHBondContact O-NE1 2.99Å; L1488-W1493 VanDerWaalsContact O-NE1 3.11Å; L1491-W1493 HydrophobicContact CD2-CB 3.97Å; L1491-W1493 HydrophobicContact CD2-CG 3.96Å; L1491-W1493 HydrophobicContact CG-CB 4.11Å; L1491-W1493 HydrophobicContact CG-CG 4.21Å; L1491-W1493 VanDerWaalsContact O-CD1 3.28Å; L1491-W1493 PolarHBondContact O-N 3.03Å; W1493-P1495 WeakPolarHBondContact O-CD 3.43Å; W1493-Y1512 VanDerWaalsContact O-CD1 3.25Å; W1493-Y1512 WeakPolarHBondContact O-CD1 3.41Å; W1493-V1513 PolarHBondContact N-O 3.08Å; W1493-L1628 HydrophobicContact CH2-CD1 4.44Å; W1493-L1628 HydrophobicContact CZ2-CD1 3.78Å | ||
| 1494 | L | 95.7 | Very high | 89.4 | Confident | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 122.8 | -178.1 | -59.8 | 168.1 | 0 | 0 | 0 | 108.9 | I1430 G1496 Y1512 V1513 A1515 L1518 L1625 L1628 | I1430-L1494 HydrophobicContact CD1-CD2 3.69Å; I1430-L1494 HydrophobicContact CG1-CD2 4.22Å; L1494-G1496 PolarHBondContact O-N 3.04Å; L1494-G1496 VanDerWaalsContact O-N 3.14Å; L1494-Y1512 WeakPolarHBondContact O-CA 3.17Å; L1494-V1513 PolarHBondContact N-O 3.18Å; L1494-V1513 VanDerWaalsContact N-O 3.15Å; L1494-V1513 VanDerWaalsContact O-CG2 3.3Å; L1494-V1513 WeakPolarHBondContact O-CG2 3.38Å; L1494-V1513 PolarHBondContact O-N 3.09Å; L1494-A1515 HydrophobicContact CD1-CB 3.78Å; L1494-L1518 HydrophobicContact CB-CD1 3.58Å; L1494-L1518 HydrophobicContact CD1-CD1 3.83Å; L1494-L1518 HydrophobicContact CG-CD1 4.31Å; L1494-L1625 HydrophobicContact CD1-CD2 4Å; L1494-L1625 HydrophobicContact CD2-CD2 4.02Å; L1494-L1628 HydrophobicContact CD1-CD1 4.08Å; L1494-L1628 HydrophobicContact CD2-CD1 4.2Å |
| 1495 | P | 94.2 | Very high | 88.7 | Confident | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 111.2 | -179.5 | 6 | -5.6 | 0 | 0 | 0 | 111 | I1423 I1426 W1493 Y1512 H1573 L1576 | I1423-P1495 HydrophobicContact CB-CG 4.48Å; I1423-P1495 HydrophobicContact CD1-CB 4.25Å; I1423-P1495 HydrophobicContact CD1-CG 4.43Å; I1423-P1495 HydrophobicContact CG1-CB 4.3Å; I1423-P1495 HydrophobicContact CG1-CG 4.16Å; I1423-P1495 HydrophobicContact CG2-CB 4.28Å; I1423-P1495 HydrophobicContact CG2-CG 3.92Å; I1426-P1495 HydrophobicContact CD1-CG 4.15Å; W1493-P1495 WeakPolarHBondContact O-CD 3.43Å; P1495-Y1512 HydrophobicContact CB-CD1 4.21Å; P1495-Y1512 HydrophobicContact CB-CE1 3.96Å; P1495-Y1512 HydrophobicContact CG-CD1 4.09Å; P1495-Y1512 HydrophobicContact CG-CE1 4.12Å; P1495-H1573 HydrophobicContact CB-CB 3.87Å; P1495-H1573 HydrophobicContact CG-CB 4.16Å; P1495-H1573 WeakPolarHBondContact O-CB 3.47Å; P1495-H1573 PolarHBondContact O-N 3.07Å; P1495-L1576 HydrophobicContact CG-CB 4.39Å; P1495-L1576 HydrophobicContact CG-CD1 3.97Å; P1495-L1576 HydrophobicContact CG-CD2 4.26Å; P1495-L1576 HydrophobicContact CG-CG 4.42Å |
| 1496 | G | 92.8 | Very high | 88.3 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 142.9 | 175 | 0 | 0 | 0 | 0 | 0 | 111.8 | L1494 C1510 K1511 E1571 | L1494-G1496 PolarHBondContact O-N 3.04Å; L1494-G1496 VanDerWaalsContact O-N 3.14Å; G1496-C1510 CarbonylContact O-C 3.53Å; G1496-C1510 WeakPolarHBondContact O-CA 3.36Å; G1496-K1511 PolarHBondContact N-O 3.19Å; G1496-K1511 PolarHBondContact O-N 3.08Å; G1496-E1571 CarbonylContact C-O 3.5Å; G1496-E1571 VanDerWaalsContact CA-O 3.28Å; G1496-E1571 WeakPolarHBondContact CA-O 3.4Å |
| 1497 | I | 90.9 | Very high | 87.8 | Confident | 1 Ų | 1 | 46.2 Ų | 46.2 | 1% | 0.005 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 159.6 | 176.3 | 57.2 | 172.3 | 0 | 0 | 0 | 110.9 | P1505 C1510 Y1570 E1571 H1573 | I1497-P1505 HydrophobicContact CD1-CB 3.62Å; I1497-C1510 HydrophobicContact CG2-CB 4.01Å; I1497-Y1570 CarbonylContact O-C 3.53Å; I1497-Y1570 VanDerWaalsContact O-CA 3.32Å; I1497-Y1570 WeakPolarHBondContact O-CA 3.31Å; I1497-Y1570 WeakPolarHBondContact O-CB 3.47Å; I1497-E1571 HydrophobicContact CD1-CG 4.16Å; I1497-E1571 HydrophobicContact CG1-CB 4.17Å; I1497-E1571 HydrophobicContact CG1-CG 3.54Å; I1497-E1571 VanDerWaalsContact CG1-CG 3.5Å; I1497-E1571 VanDerWaalsContact CG1-O 3.28Å; I1497-E1571 WeakPolarHBondContact CG1-O 3.34Å; I1497-E1571 PolarHBondContact N-O 3.35Å; I1497-E1571 PolarHBondContact O-N 3.22Å; I1497-H1573 HydrophobicContact CG2-CB 4.39Å |
| 1498 | Q | 88.2 | Confident | 87.3 | Confident | 66.8 Ų | 66.8 | 50.2 Ų | 50.2 | 31% | 0.312 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 168.3 | 169.7 | -61 | -173.4 | -51.6 | 0 | 0 | 110.1 | N1506 S1509 Y1570 | Q1498-N1506 WeakPolarHBondContact O-CA 3.17Å; Q1498-N1506 VanDerWaalsContact O-CB 3.29Å; Q1498-N1506 WeakPolarHBondContact O-CB 3.25Å; Q1498-N1506 PolarHBondContact O-N 3.24Å; Q1498-S1509 PolarHBondContact N-OG 2.99Å; Q1498-S1509 VanDerWaalsContact N-OG 3.11Å; Q1498-Y1570 HydrophobicContact CG-CD1 3.66Å; Q1498-Y1570 HydrophobicContact CG-CE1 3.58Å |
| 1499 | R | 83.8 | Confident | 86.9 | Confident | 27.4 Ų | 27.4 | 51.1 Ų | 51.1 | 10% | 0.103 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 148.4 | 172.7 | -72.7 | -176.8 | 176.1 | -101.3 | -2.2 | 111.3 | C1503 L1504 R1561 I1564 E1571 | R1499-C1503 WeakPolarHBondContact CD-O 3.36Å; R1499-C1503 PolarHBondContact NH1-O 3.13Å; R1499-L1504 CarbonylContact C-O 3.53Å; R1499-L1504 VanDerWaalsContact CA-O 3.26Å; R1499-L1504 WeakPolarHBondContact CA-O 3.29Å; R1499-R1561 HydrophobicContact CB-CB 4.37Å; R1499-R1561 HydrophobicContact CB-CG 4.07Å; R1499-I1564 HydrophobicContact CG-CD1 4.38Å; R1499-E1571 WeakPolarHBondContact CG-OE1 3.43Å; R1499-E1571 IonicContact CZ-OE1 3.15Å; R1499-E1571 IonicContact CZ-OE2 3.42Å; R1499-E1571 VanDerWaalsContact CZ-OE2 3.26Å; R1499-E1571 VanDerWaalsContact NE-CD 3.31Å; R1499-E1571 IonicContact NE-OE1 3.11Å; R1499-E1571 PolarHBondContact NE-OE1 3.13Å; R1499-E1571 VanDerWaalsContact NE-OE1 3.09Å; R1499-E1571 IonicContact NE-OE2 3.14Å; R1499-E1571 PolarHBondContact NE-OE2 3.05Å; R1499-E1571 VanDerWaalsContact NH2-CD 3.31Å; R1499-E1571 IonicContact NH2-OE1 3.21Å; R1499-E1571 PolarHBondContact NH2-OE1 2.95Å; R1499-E1571 IonicContact NH2-OE2 3.62Å; R1499-E1571 PolarHBondContact NH2-OE2 3.08Å; R1499-E1571 VanDerWaalsContact NH2-OE2 3.09Å |
| 1500 | T | 82.7 | Confident | 86.7 | Confident | 40.8 Ų | 40.8 | 52.4 Ų | 52.4 | 25% | 0.25 | 29% | 0.288 | S | S | . | . | trans | -72.3 | 173.7 | 172.9 | 64.8 | 0 | 0 | 0 | 0 | 111.5 | D1502 C1503 L1504 N1506 R1561 | T1500-D1502 PolarHBondContact O-N 3.11Å; T1500-D1502 PolarHBondContact OG1-N 3.03Å; T1500-C1503 WeakPolarHBondContact O-CA 3.34Å; T1500-C1503 PolarHBondContact O-N 3.02Å; T1500-L1504 PolarHBondContact N-O 3.28Å; T1500-L1504 WeakPolarHBondContact OG1-CB 3.48Å; T1500-L1504 PolarHBondContact OG1-N 3.25Å; T1500-L1504 PolarHBondContact OG1-O 2.9Å; T1500-L1504 VanDerWaalsContact OG1-O 3.09Å; T1500-N1506 HydrophobicContact CG2-CB 3.82Å; T1500-R1561 WeakPolarHBondContact O-CD 3.41Å | ||
| 1501 | I | 78.9 | Confident | 86.7 | Confident | 139.6 Ų | 139.6 | 52 Ų | 52 | 72% | 0.716 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | -29.8 | 173.1 | -78 | 169 | 0 | 0 | 0 | 111.3 | C1503 R1561 | I1501-C1503 VanDerWaalsContact C-N 3.26Å; I1501-C1503 PolarHBondContact O-N 3.26Å; I1501-C1503 VanDerWaalsContact O-N 3.15Å; I1501-R1561 VanDerWaalsContact CA-NH1 3.28Å; I1501-R1561 PolarHBondContact O-NH1 3.23Å |
| 1502 | D | 77.5 | Confident | 86.7 | Confident | 117 Ų | 117 | 53.1 Ų | 53.1 | 63% | 0.626 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.6 | 12 | 175.1 | -47.3 | -55 | 0 | 0 | 0 | 112.7 | T1500 L1504 | T1500-D1502 PolarHBondContact O-N 3.11Å; T1500-D1502 PolarHBondContact OG1-N 3.03Å; D1502-L1504 HydrophobicContact CB-CD1 4.45Å; D1502-L1504 HydrophobicContact CB-CG 4.43Å; D1502-L1504 PolarHBondContact O-N 3.07Å; D1502-L1504 VanDerWaalsContact O-N 3.16Å |
| 1503 | C | 78.7 | Confident | 86.7 | Confident | 2.2 Ų | 2.2 | 51.4 Ų | 51.4 | 2% | 0.015 | 27% | 0.267 | C | S | . | . | S | Bend | trans | 61.2 | 15.7 | -179.2 | -52.1 | 0 | 0 | 0 | 0 | 115 | R1499 T1500 I1501 L1557 R1561 | R1499-C1503 WeakPolarHBondContact CD-O 3.36Å; R1499-C1503 PolarHBondContact NH1-O 3.13Å; T1500-C1503 WeakPolarHBondContact O-CA 3.34Å; T1500-C1503 PolarHBondContact O-N 3.02Å; I1501-C1503 VanDerWaalsContact C-N 3.26Å; I1501-C1503 PolarHBondContact O-N 3.26Å; I1501-C1503 VanDerWaalsContact O-N 3.15Å; C1503-L1557 HydrophobicContact CB-CB 3.83Å; C1503-L1557 HydrophobicContact CB-CD1 4.33Å; C1503-L1557 HydrophobicContact CB-CG 4.45Å; C1503-R1561 PolarHBondContact SG-NH1 2.75Å |
| 1504 | L | 78.9 | Confident | 86.8 | Confident | 84.2 Ų | 84.2 | 53.8 Ų | 53.8 | 44% | 0.441 | 28% | 0.28 | S | S | . | . | trans | -82.5 | 146.4 | 175.5 | -66.5 | 169.9 | 0 | 0 | 0 | 111.2 | R1499 T1500 D1502 N1506 M1533 | R1499-L1504 CarbonylContact C-O 3.53Å; R1499-L1504 VanDerWaalsContact CA-O 3.26Å; R1499-L1504 WeakPolarHBondContact CA-O 3.29Å; T1500-L1504 PolarHBondContact N-O 3.28Å; T1500-L1504 WeakPolarHBondContact OG1-CB 3.48Å; T1500-L1504 PolarHBondContact OG1-N 3.25Å; T1500-L1504 PolarHBondContact OG1-O 2.9Å; T1500-L1504 VanDerWaalsContact OG1-O 3.09Å; D1502-L1504 HydrophobicContact CB-CD1 4.45Å; D1502-L1504 HydrophobicContact CB-CG 4.43Å; D1502-L1504 PolarHBondContact O-N 3.07Å; D1502-L1504 VanDerWaalsContact O-N 3.16Å; L1504-N1506 PolarHBondContact O-N 3.17Å; L1504-M1533 HydrophobicContact CD2-CE 3.75Å; L1504-M1533 HydrophobicContact CD2-SD 3.86Å; L1504-M1533 VanDerWaalsContact CD2-SD 3.6Å | ||
| 1505 | P | 78.2 | Confident | 86.6 | Confident | 46.8 Ų | 46.8 | 53.8 Ų | 53.8 | 30% | 0.304 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.4 | 122.9 | 172.9 | -13.4 | 21.8 | 0 | 0 | 0 | 111.3 | I1497 I1507 | I1497-P1505 HydrophobicContact CD1-CB 3.62Å; P1505-I1507 PolarHBondContact O-N 3.25Å |
| 1506 | N | 84.5 | Confident | 86.5 | Confident | 52 Ų | 52 | 56.3 Ų | 56.3 | 28% | 0.278 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 91.7 | 179.3 | -174.2 | 0.6 | 0 | 0 | 0 | 110.3 | Q1498 T1500 L1504 D1508 S1509 | Q1498-N1506 WeakPolarHBondContact O-CA 3.17Å; Q1498-N1506 VanDerWaalsContact O-CB 3.29Å; Q1498-N1506 WeakPolarHBondContact O-CB 3.25Å; Q1498-N1506 PolarHBondContact O-N 3.24Å; T1500-N1506 HydrophobicContact CG2-CB 3.82Å; L1504-N1506 PolarHBondContact O-N 3.17Å; N1506-D1508 VanDerWaalsContact C-N 3.26Å; N1506-D1508 PolarHBondContact O-N 3.04Å; N1506-D1508 WeakPolarHBondContact OD1-CB 3.31Å; N1506-D1508 PolarHBondContact OD1-N 3.2Å; N1506-D1508 VanDerWaalsContact OD1-N 3.16Å; N1506-S1509 WeakPolarHBondContact CB-OG 3.27Å; N1506-S1509 WeakPolarHBondContact O-CB 3.34Å; N1506-S1509 PolarHBondContact O-N 2.94Å; N1506-S1509 PolarHBondContact O-OG 2.98Å; N1506-S1509 PolarHBondContact OD1-N 3.22Å |
| 1507 | I | 82.4 | Confident | 86.5 | Confident | 82.2 Ų | 82.2 | 60 Ų | 60 | 42% | 0.422 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.4 | -37.8 | -179.5 | -63.4 | 170.9 | 0 | 0 | 0 | 111.3 | P1505 S1509 C1510 L1534 | P1505-I1507 PolarHBondContact O-N 3.25Å; I1507-S1509 PolarHBondContact O-N 3.06Å; I1507-S1509 VanDerWaalsContact O-N 3.13Å; I1507-C1510 VanDerWaalsContact O-CB 3.28Å; I1507-C1510 WeakPolarHBondContact O-CB 3.36Å; I1507-C1510 PolarHBondContact O-N 3.07Å; I1507-C1510 VanDerWaalsContact O-N 3.13Å; I1507-L1534 HydrophobicContact CD1-CD2 4.11Å |
| 1508 | D | 83.4 | Confident | 86.5 | Confident | 158.2 Ų | 158.2 | 59.9 Ų | 59.9 | 85% | 0.846 | 31% | 0.313 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66.9 | -12.9 | 179.2 | -58.8 | -31.8 | 0 | 0 | 0 | 113.3 | N1506 C1510 | N1506-D1508 VanDerWaalsContact C-N 3.26Å; N1506-D1508 PolarHBondContact O-N 3.04Å; N1506-D1508 WeakPolarHBondContact OD1-CB 3.31Å; N1506-D1508 PolarHBondContact OD1-N 3.2Å; N1506-D1508 VanDerWaalsContact OD1-N 3.16Å; D1508-C1510 VanDerWaalsContact C-N 3.31Å |
| 1509 | S | 85.2 | Confident | 86.6 | Confident | 19.8 Ų | 19.8 | 56.8 Ų | 56.8 | 14% | 0.138 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 6 | 176 | 74.1 | 0 | 0 | 0 | 0 | 114.4 | Q1498 N1506 I1507 K1511 | Q1498-S1509 PolarHBondContact N-OG 2.99Å; Q1498-S1509 VanDerWaalsContact N-OG 3.11Å; N1506-S1509 WeakPolarHBondContact CB-OG 3.27Å; N1506-S1509 WeakPolarHBondContact O-CB 3.34Å; N1506-S1509 PolarHBondContact O-N 2.94Å; N1506-S1509 PolarHBondContact O-OG 2.98Å; N1506-S1509 PolarHBondContact OD1-N 3.22Å; I1507-S1509 PolarHBondContact O-N 3.06Å; I1507-S1509 VanDerWaalsContact O-N 3.13Å; S1509-K1511 PolarHBondContact O-N 3.04Å; S1509-K1511 VanDerWaalsContact O-N 3.14Å |
| 1510 | C | 89.8 | Confident | 86.6 | Confident | 48 Ų | 48 | 55.6 Ų | 55.6 | 32% | 0.324 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -54.9 | 124.8 | -175.8 | -171.9 | 0 | 0 | 0 | 0 | 112.4 | G1496 I1497 I1507 D1508 | G1496-C1510 CarbonylContact O-C 3.53Å; G1496-C1510 WeakPolarHBondContact O-CA 3.36Å; I1497-C1510 HydrophobicContact CG2-CB 4.01Å; I1507-C1510 VanDerWaalsContact O-CB 3.28Å; I1507-C1510 WeakPolarHBondContact O-CB 3.36Å; I1507-C1510 PolarHBondContact O-N 3.07Å; I1507-C1510 VanDerWaalsContact O-N 3.13Å; D1508-C1510 VanDerWaalsContact C-N 3.31Å |
| 1511 | K | 91.7 | Very high | 86.1 | Confident | 112.4 Ų | 112.4 | 54.5 Ų | 54.5 | 49% | 0.489 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 139.4 | 177.7 | -107.8 | 177.6 | -175.8 | 175 | 0 | 110.1 | G1496 S1509 V1513 Y1570 | G1496-K1511 PolarHBondContact N-O 3.19Å; G1496-K1511 PolarHBondContact O-N 3.08Å; S1509-K1511 PolarHBondContact O-N 3.04Å; S1509-K1511 VanDerWaalsContact O-N 3.14Å; K1511-V1513 HydrophobicContact CB-CG1 4.4Å; K1511-V1513 HydrophobicContact CG-CG1 4.38Å; K1511-V1513 PolarHBondContact O-N 3.39Å; K1511-Y1570 HydrophobicContact CB-CE1 4.39Å; K1511-Y1570 HydrophobicContact CD-CE1 4.16Å; K1511-Y1570 PolarHBondContact NZ-OH 3.3Å |
| 1512 | Y | 94 | Very high | 85.3 | Confident | 64.2 Ų | 64.2 | 51 Ų | 51 | 25% | 0.252 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 125 | 171.3 | -65 | -72.7 | 0 | 0 | 0 | 110.6 | E1398 R1422 I1426 A1492 W1493 L1494 P1495 | E1398-Y1512 HydrophobicContact CG-CD2 4.46Å; E1398-Y1512 HydrophobicContact CG-CE2 4.27Å; R1422-Y1512 VanDerWaalsContact CD-OH 3.25Å; R1422-Y1512 WeakPolarHBondContact CD-OH 3.33Å; I1426-Y1512 HydrophobicContact CD1-CD1 4.48Å; I1426-Y1512 HydrophobicContact CD1-CE1 3.64Å; A1492-Y1512 WeakPolarHBondContact O-CB 3.42Å; W1493-Y1512 VanDerWaalsContact O-CD1 3.25Å; W1493-Y1512 WeakPolarHBondContact O-CD1 3.41Å; L1494-Y1512 WeakPolarHBondContact O-CA 3.17Å; P1495-Y1512 HydrophobicContact CB-CD1 4.21Å; P1495-Y1512 HydrophobicContact CB-CE1 3.96Å; P1495-Y1512 HydrophobicContact CG-CD1 4.09Å; P1495-Y1512 HydrophobicContact CG-CE1 4.12Å |
| 1513 | V | 94.9 | Very high | 84.1 | Confident | 13 Ų | 13 | 49.4 Ų | 49.4 | 8% | 0.079 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 162.1 | -175.5 | -62.4 | 0 | 0 | 0 | 0 | 111.9 | A1492 W1493 L1494 K1511 K1517 L1518 Y1570 | A1492-V1513 WeakPolarHBondContact CA-O 3.27Å; W1493-V1513 PolarHBondContact N-O 3.08Å; L1494-V1513 PolarHBondContact N-O 3.18Å; L1494-V1513 VanDerWaalsContact N-O 3.15Å; L1494-V1513 VanDerWaalsContact O-CG2 3.3Å; L1494-V1513 WeakPolarHBondContact O-CG2 3.38Å; L1494-V1513 PolarHBondContact O-N 3.09Å; K1511-V1513 HydrophobicContact CB-CG1 4.4Å; K1511-V1513 HydrophobicContact CG-CG1 4.38Å; K1511-V1513 PolarHBondContact O-N 3.39Å; V1513-K1517 HydrophobicContact CB-CB 4.16Å; V1513-K1517 HydrophobicContact CG2-CB 4.3Å; V1513-L1518 HydrophobicContact CG2-CD1 4.15Å; V1513-L1518 HydrophobicContact CG2-CD2 3.77Å; V1513-L1518 HydrophobicContact CG2-CG 3.84Å; V1513-Y1570 HydrophobicContact CB-CD2 4.39Å; V1513-Y1570 HydrophobicContact CG1-CD1 4.41Å; V1513-Y1570 HydrophobicContact CG1-CD2 3.72Å; V1513-Y1570 HydrophobicContact CG1-CE1 4.45Å; V1513-Y1570 HydrophobicContact CG1-CE2 3.81Å; V1513-Y1570 HydrophobicContact CG1-CG 4.19Å; V1513-Y1570 HydrophobicContact CG2-CD2 4.4Å |
| 1514 | I | 95.5 | Very high | 82.6 | Confident | 53.4 Ų | 53.4 | 54.1 Ų | 54.1 | 27% | 0.274 | 29% | 0.293 | S | S | . | . | trans | -71.2 | 153.3 | 172.2 | 49.8 | 176.6 | 0 | 0 | 0 | 110.1 | S1489 N1490 L1491 A1492 S1516 K1517 | S1489-I1514 WeakPolarHBondContact O-CG2 3.18Å; N1490-I1514 WeakPolarHBondContact O-CG2 3.39Å; L1491-I1514 WeakPolarHBondContact O-CA 3.3Å; A1492-I1514 HydrophobicContact CB-CG1 3.87Å; A1492-I1514 HydrophobicContact CB-CG2 4.07Å; I1514-S1516 VanDerWaalsContact C-N 3.3Å; I1514-S1516 VanDerWaalsContact CD1-OG 3.26Å; I1514-S1516 WeakPolarHBondContact CD1-OG 3.35Å; I1514-S1516 PolarHBondContact O-N 3.18Å; I1514-K1517 HydrophobicContact CD1-CG 4.1Å; I1514-K1517 HydrophobicContact CG1-CB 3.97Å; I1514-K1517 HydrophobicContact CG1-CG 3.64Å; I1514-K1517 VanDerWaalsContact CG1-CG 3.47Å; I1514-K1517 WeakPolarHBondContact O-CA 3.37Å; I1514-K1517 WeakPolarHBondContact O-CB 3.38Å; I1514-K1517 PolarHBondContact O-N 3.15Å | ||
| 1515 | A | 93.2 | Very high | 81.1 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 28% | 0.282 | C | S | . | . | G | 310 helix | trans | -55.8 | -43.2 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113 | S1489 L1494 K1517 L1518 L1628 A1630 | S1489-A1515 PolarHBondContact O-N 3.01Å; L1494-A1515 HydrophobicContact CD1-CB 3.78Å; A1515-K1517 PolarHBondContact O-N 2.99Å; A1515-L1518 PolarHBondContact O-N 3.17Å; A1515-L1628 VanDerWaalsContact CB-C 3.44Å; A1515-L1628 HydrophobicContact CB-CB 3.65Å; A1515-L1628 VanDerWaalsContact CB-CB 3.48Å; A1515-L1628 VanDerWaalsContact CB-O 3.25Å; A1515-L1628 WeakPolarHBondContact CB-O 3.36Å; A1515-A1630 VanDerWaalsContact O-CA 3.25Å; A1515-A1630 WeakPolarHBondContact O-CA 3.31Å |
| 1516 | S | 90.8 | Very high | 79.5 | Confident | 53.6 Ų | 53.6 | 51.7 Ų | 51.7 | 38% | 0.375 | 28% | 0.281 | S | S | . | . | G | 310 helix | trans | -65.7 | -4.1 | 177.7 | 65.2 | 0 | 0 | 0 | 0 | 114.8 | I1514 G1629 Q1631 | I1514-S1516 VanDerWaalsContact C-N 3.3Å; I1514-S1516 VanDerWaalsContact CD1-OG 3.26Å; I1514-S1516 WeakPolarHBondContact CD1-OG 3.35Å; I1514-S1516 PolarHBondContact O-N 3.18Å; S1516-G1629 WeakPolarHBondContact CA-O 3.24Å; S1516-Q1631 PolarHBondContact O-NE2 2.97Å |
| 1517 | K | 92.8 | Very high | 77.2 | Confident | 77.2 Ų | 77.2 | 52.3 Ų | 52.3 | 34% | 0.336 | 29% | 0.289 | S | S | . | . | G | 310 helix | trans | -104.7 | 6.9 | 173.1 | -75.2 | -62.1 | -163.8 | 171.3 | 0 | 113.5 | V1513 I1514 A1515 L1567 Q1568 I1569 Y1570 | V1513-K1517 HydrophobicContact CB-CB 4.16Å; V1513-K1517 HydrophobicContact CG2-CB 4.3Å; I1514-K1517 HydrophobicContact CD1-CG 4.1Å; I1514-K1517 HydrophobicContact CG1-CB 3.97Å; I1514-K1517 HydrophobicContact CG1-CG 3.64Å; I1514-K1517 VanDerWaalsContact CG1-CG 3.47Å; I1514-K1517 WeakPolarHBondContact O-CA 3.37Å; I1514-K1517 WeakPolarHBondContact O-CB 3.38Å; I1514-K1517 PolarHBondContact O-N 3.15Å; A1515-K1517 PolarHBondContact O-N 2.99Å; K1517-L1567 PolarHBondContact NZ-O 3.31Å; K1517-Q1568 WeakPolarHBondContact CD-O 3.23Å; K1517-Q1568 WeakPolarHBondContact CE-O 3.4Å; K1517-Q1568 PolarHBondContact NZ-O 3.22Å; K1517-Q1568 VanDerWaalsContact NZ-O 3.07Å; K1517-I1569 HydrophobicContact CD-CG1 3.97Å; K1517-I1569 HydrophobicContact CD-CG2 4.01Å; K1517-I1569 CarbonylContact O-C 3.53Å; K1517-I1569 WeakPolarHBondContact O-CA 3.32Å; K1517-I1569 VanDerWaalsContact O-CB 3.32Å; K1517-I1569 WeakPolarHBondContact O-CB 3.41Å; K1517-I1569 WeakPolarHBondContact O-CG2 3.43Å; K1517-Y1570 PolarHBondContact O-N 3.3Å |
| 1518 | L | 92.1 | Very high | 75.1 | Confident | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 29% | 0.293 | C | S | . | . | B | Isolated β-bridge | trans | -98.7 | 140.2 | 168 | -71.9 | 174.4 | 0 | 0 | 0 | 111.9 | L1494 V1513 A1515 I1569 Y1570 P1572 L1625 A1630 Q1631 | L1494-L1518 HydrophobicContact CB-CD1 3.58Å; L1494-L1518 HydrophobicContact CD1-CD1 3.83Å; L1494-L1518 HydrophobicContact CG-CD1 4.31Å; V1513-L1518 HydrophobicContact CG2-CD1 4.15Å; V1513-L1518 HydrophobicContact CG2-CD2 3.77Å; V1513-L1518 HydrophobicContact CG2-CG 3.84Å; A1515-L1518 PolarHBondContact O-N 3.17Å; L1518-I1569 VanDerWaalsContact C-CG2 3.47Å; L1518-Y1570 CarbonylContact C-O 3.57Å; L1518-Y1570 VanDerWaalsContact CA-O 3.26Å; L1518-Y1570 WeakPolarHBondContact CA-O 3.37Å; L1518-P1572 HydrophobicContact CD2-CB 4.34Å; L1518-L1625 HydrophobicContact CD1-CD2 4.13Å; L1518-A1630 HydrophobicContact CB-CB 4.09Å; L1518-Q1631 WeakPolarHBondContact O-CB 3.33Å; L1518-Q1631 PolarHBondContact O-N 3.14Å |
| 1519 | L | 89.2 | Confident | 72.9 | Confident | 1.6 Ų | 1.6 | 47.2 Ų | 47.2 | 1% | 0.008 | 27% | 0.27 | C | S | . | . | B | Isolated β-bridge | trans | -106.8 | 113.7 | 167.9 | -175.5 | 64.8 | 0 | 0 | 0 | 108.8 | V1521 L1560 L1563 I1564 I1569 Y1570 P1572 Q1631 I1633 | L1519-V1521 HydrophobicContact CD1-CG2 4.44Å; L1519-V1521 HydrophobicContact CD2-CG2 4.21Å; L1519-V1521 HydrophobicContact CG-CG2 4.05Å; L1519-L1560 HydrophobicContact CD2-CD1 3.53Å; L1519-L1560 VanDerWaalsContact CD2-CD1 3.46Å; L1519-L1560 HydrophobicContact CG-CD1 4.39Å; L1519-L1563 HydrophobicContact CD1-CD2 3.97Å; L1519-L1563 HydrophobicContact CD2-CB 4.1Å; L1519-L1563 HydrophobicContact CD2-CD1 4.46Å; L1519-L1563 HydrophobicContact CD2-CD2 3.82Å; L1519-L1563 HydrophobicContact CD2-CG 4.35Å; L1519-L1563 HydrophobicContact CG-CD2 4.43Å; L1519-I1564 HydrophobicContact CD2-CG1 4.07Å; L1519-I1569 HydrophobicContact CB-CD1 3.64Å; L1519-I1569 HydrophobicContact CB-CG1 4.08Å; L1519-I1569 HydrophobicContact CB-CG2 3.54Å; L1519-I1569 HydrophobicContact CD1-CD1 4.07Å; L1519-I1569 HydrophobicContact CD2-CD1 4.07Å; L1519-I1569 HydrophobicContact CG-CD1 4.13Å; L1519-Y1570 PolarHBondContact N-O 2.92Å; L1519-P1572 VanDerWaalsContact O-CD 3.26Å; L1519-P1572 WeakPolarHBondContact O-CD 3.36Å; L1519-Q1631 WeakPolarHBondContact CA-O 3.33Å; L1519-Q1631 HydrophobicContact CD1-CB 4.36Å; L1519-I1633 HydrophobicContact CD1-CG1 4.19Å |
| 1520 | V | 83.9 | Confident | 70.7 | Confident | 2 Ų | 2 | 48 Ų | 48 | 1% | 0.012 | 28% | 0.275 | C | S | . | . | trans | -102 | 119.1 | 175.1 | -178.4 | 0 | 0 | 0 | 0 | 108.3 | L1525 P1572 I1622 L1625 A1630 Q1631 | V1520-L1525 HydrophobicContact CG1-CD1 3.89Å; V1520-P1572 HydrophobicContact CG2-CG 3.96Å; V1520-I1622 HydrophobicContact CG1-CB 4.26Å; V1520-I1622 HydrophobicContact CG1-CD1 4.38Å; V1520-I1622 HydrophobicContact CG1-CG1 3.82Å; V1520-I1622 HydrophobicContact CG1-CG2 3.79Å; V1520-L1625 HydrophobicContact CG2-CB 4.12Å; V1520-L1625 HydrophobicContact CG2-CD1 3.96Å; V1520-A1630 HydrophobicContact CG2-CB 3.77Å; V1520-Q1631 PolarHBondContact N-O 3.02Å | ||
| 1521 | V | 72.7 | Confident | 68.1 | Low | 16.2 Ų | 16.2 | 50 Ų | 50 | 10% | 0.098 | 29% | 0.29 | C | S | . | . | trans | -108.1 | 117.6 | -177.5 | -171.1 | 0 | 0 | 0 | 0 | 108.9 | L1519 T1523 L1524 L1525 L1560 I1633 | L1519-V1521 HydrophobicContact CD1-CG2 4.44Å; L1519-V1521 HydrophobicContact CD2-CG2 4.21Å; L1519-V1521 HydrophobicContact CG-CG2 4.05Å; V1521-T1523 VanDerWaalsContact C-N 3.28Å; V1521-T1523 PolarHBondContact O-N 3.27Å; V1521-T1523 VanDerWaalsContact O-N 3.16Å; V1521-L1524 HydrophobicContact CB-CB 4.38Å; V1521-L1524 HydrophobicContact CB-CD1 4.43Å; V1521-L1524 HydrophobicContact CG1-CB 4.3Å; V1521-L1524 HydrophobicContact CG1-CD1 4.06Å; V1521-L1524 HydrophobicContact CG1-CG 4.2Å; V1521-L1524 PolarHBondContact O-N 2.97Å; V1521-L1524 VanDerWaalsContact O-N 3.11Å; V1521-L1525 HydrophobicContact CG1-CB 3.62Å; V1521-L1525 HydrophobicContact CG1-CD1 3.38Å; V1521-L1525 VanDerWaalsContact CG1-CD1 3.43Å; V1521-L1525 HydrophobicContact CG1-CG 4.09Å; V1521-L1525 WeakPolarHBondContact O-CG 3.23Å; V1521-L1525 PolarHBondContact O-N 3.38Å; V1521-L1560 HydrophobicContact CG2-CD1 3.66Å; V1521-L1560 VanDerWaalsContact CG2-CD1 3.4Å; V1521-L1560 HydrophobicContact CG2-CD2 4.17Å; V1521-L1560 HydrophobicContact CG2-CG 4.38Å; V1521-I1633 HydrophobicContact CG1-CD1 4.02Å; V1521-I1633 HydrophobicContact CG2-CD1 4.2Å; V1521-I1633 HydrophobicContact CG2-CG1 3.84Å | ||
| 1522 | P | 60.9 | Low | 65.4 | Low | 66.8 Ų | 66.8 | 48.8 Ų | 48.8 | 43% | 0.434 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -55.2 | 132.5 | -179.1 | -26.6 | 34.6 | 0 | 0 | 0 | 112.9 | L1524 L1525 S1526 I1622 | P1522-L1524 VanDerWaalsContact C-N 3.34Å; P1522-L1524 PolarHBondContact O-N 3.13Å; P1522-L1525 PolarHBondContact O-N 3.2Å; P1522-L1525 VanDerWaalsContact O-N 3.13Å; P1522-S1526 PolarHBondContact O-N 3.38Å; P1522-I1622 HydrophobicContact CG-CG2 4.35Å |
| 1523 | T | 53 | Low | 62.5 | Low | 84.4 Ų | 84.4 | 51.6 Ų | 51.6 | 52% | 0.518 | 31% | 0.313 | S | S | . | . | G | 310 helix | trans | -58.8 | -25.2 | -172.4 | -3.3 | 0 | 0 | 0 | 0 | 114.5 | V1521 L1525 S1526 S1527 | V1521-T1523 VanDerWaalsContact C-N 3.28Å; V1521-T1523 PolarHBondContact O-N 3.27Å; V1521-T1523 VanDerWaalsContact O-N 3.16Å; T1523-L1525 PolarHBondContact O-N 3.12Å; T1523-S1526 CarbonylContact O-C 3.37Å; T1523-S1526 WeakPolarHBondContact O-CA 3.45Å; T1523-S1526 PolarHBondContact O-N 3.27Å; T1523-S1527 PolarHBondContact O-N 3.21Å; T1523-S1527 PolarHBondContact O-OG 3.42Å |
| 1524 | L | 47.3 | Very low | 59.6 | Low | 100.6 Ų | 100.6 | 56.3 Ų | 56.3 | 53% | 0.527 | 34% | 0.337 | S | S | . | . | G | 310 helix | trans | -73.4 | -23.5 | 179.1 | -68.5 | 173.1 | 0 | 0 | 0 | 113.5 | V1521 P1522 S1527 E1556 L1557 L1560 | V1521-L1524 HydrophobicContact CB-CB 4.38Å; V1521-L1524 HydrophobicContact CB-CD1 4.43Å; V1521-L1524 HydrophobicContact CG1-CB 4.3Å; V1521-L1524 HydrophobicContact CG1-CD1 4.06Å; V1521-L1524 HydrophobicContact CG1-CG 4.2Å; V1521-L1524 PolarHBondContact O-N 2.97Å; V1521-L1524 VanDerWaalsContact O-N 3.11Å; P1522-L1524 VanDerWaalsContact C-N 3.34Å; P1522-L1524 PolarHBondContact O-N 3.13Å; L1524-S1527 PolarHBondContact O-OG 2.92Å; L1524-E1556 HydrophobicContact CD1-CB 4.33Å; L1524-E1556 HydrophobicContact CD2-CB 3.92Å; L1524-E1556 WeakPolarHBondContact CD2-OE2 3.49Å; L1524-L1557 HydrophobicContact CD2-CD2 4.28Å; L1524-L1560 HydrophobicContact CB-CD2 4.28Å; L1524-L1560 HydrophobicContact CD1-CB 4.05Å; L1524-L1560 HydrophobicContact CD1-CD2 3.73Å; L1524-L1560 HydrophobicContact CD1-CG 4.41Å |
| 1525 | L | 47.3 | Very low | 56.6 | Low | 39.4 Ų | 39.4 | 61.2 Ų | 61.2 | 21% | 0.206 | 36% | 0.361 | C | S | . | . | G | 310 helix | trans | -91.1 | -7 | 177.1 | -68.6 | 166.6 | 0 | 0 | 0 | 113.2 | V1520 V1521 P1522 T1523 S1527 E1556 P1572 L1577 I1633 | V1520-L1525 HydrophobicContact CG1-CD1 3.89Å; V1521-L1525 HydrophobicContact CG1-CB 3.62Å; V1521-L1525 HydrophobicContact CG1-CD1 3.38Å; V1521-L1525 VanDerWaalsContact CG1-CD1 3.43Å; V1521-L1525 HydrophobicContact CG1-CG 4.09Å; V1521-L1525 WeakPolarHBondContact O-CG 3.23Å; V1521-L1525 PolarHBondContact O-N 3.38Å; P1522-L1525 PolarHBondContact O-N 3.2Å; P1522-L1525 VanDerWaalsContact O-N 3.13Å; T1523-L1525 PolarHBondContact O-N 3.12Å; L1525-S1527 PolarHBondContact O-N 3Å; L1525-E1556 HydrophobicContact CD2-CB 3.99Å; L1525-E1556 HydrophobicContact CD2-CG 4.03Å; L1525-E1556 WeakPolarHBondContact CD2-OE2 3.21Å; L1525-P1572 HydrophobicContact CD1-CG 4.41Å; L1525-L1577 HydrophobicContact CB-CD1 3.97Å; L1525-L1577 HydrophobicContact CD1-CD1 3.88Å; L1525-L1577 HydrophobicContact CD2-CD1 4.28Å; L1525-L1577 HydrophobicContact CG-CD1 4.26Å; L1525-I1633 HydrophobicContact CD1-CD1 4.02Å |
| 1526 | S | 43.9 | Very low | 53.6 | Low | 41 Ų | 41 | 68.8 Ų | 68.8 | 29% | 0.287 | 40% | 0.396 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.8 | 39.8 | -178.1 | -171.3 | 0 | 0 | 0 | 0 | 112.9 | P1522 T1523 T1528 S1529 | P1522-S1526 PolarHBondContact O-N 3.38Å; T1523-S1526 CarbonylContact O-C 3.37Å; T1523-S1526 WeakPolarHBondContact O-CA 3.45Å; T1523-S1526 PolarHBondContact O-N 3.27Å; S1526-T1528 PolarHBondContact O-N 3.07Å; S1526-T1528 VanDerWaalsContact O-N 3.07Å; S1526-T1528 PolarHBondContact OG-OG1 3.35Å; S1526-T1528 VanDerWaalsContact OG-OG1 3.08Å; S1526-S1529 PolarHBondContact O-N 2.87Å; S1526-S1529 VanDerWaalsContact O-N 3.14Å |
| 1527 | S | 37.9 | Very low | 50.8 | Low | 64 Ų | 64 | 75.9 Ų | 75.9 | 45% | 0.448 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -59.5 | -9.5 | -171.6 | 42.4 | 0 | 0 | 0 | 0 | 115.5 | T1523 L1524 L1525 S1529 S1530 S1531 | T1523-S1527 PolarHBondContact O-N 3.21Å; T1523-S1527 PolarHBondContact O-OG 3.42Å; L1524-S1527 PolarHBondContact O-OG 2.92Å; L1525-S1527 PolarHBondContact O-N 3Å; S1527-S1529 VanDerWaalsContact C-N 3.27Å; S1527-S1529 PolarHBondContact O-N 3.26Å; S1527-S1530 PolarHBondContact O-N 3.14Å; S1527-S1531 WeakPolarHBondContact O-CB 3.43Å; S1527-S1531 PolarHBondContact O-N 3.46Å; S1527-S1531 PolarHBondContact O-OG 3.03Å |
| 1528 | T | 38.1 | Very low | 47.8 | Very low | 81.8 Ų | 81.8 | 81.5 Ų | 81.5 | 50% | 0.502 | 45% | 0.448 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.1 | -0.8 | 177.8 | 55.8 | 0 | 0 | 0 | 0 | 113.9 | S1526 S1530 N1553 | S1526-T1528 PolarHBondContact O-N 3.07Å; S1526-T1528 VanDerWaalsContact O-N 3.07Å; S1526-T1528 PolarHBondContact OG-OG1 3.35Å; S1526-T1528 VanDerWaalsContact OG-OG1 3.08Å; T1528-S1530 PolarHBondContact O-N 3.24Å; T1528-N1553 HydrophobicContact CG2-CB 4.06Å; T1528-N1553 WeakPolarHBondContact CG2-ND2 3.46Å; T1528-N1553 PolarHBondContact OG1-ND2 3.49Å |
| 1529 | S | 37.6 | Very low | 44.7 | Very low | 52.8 Ų | 52.8 | 84.9 Ų | 84.9 | 37% | 0.369 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -90.4 | -25.1 | 171.4 | -58.6 | 0 | 0 | 0 | 0 | 115.5 | S1526 S1527 S1531 S1532 M1533 | S1526-S1529 PolarHBondContact O-N 2.87Å; S1526-S1529 VanDerWaalsContact O-N 3.14Å; S1527-S1529 VanDerWaalsContact C-N 3.27Å; S1527-S1529 PolarHBondContact O-N 3.26Å; S1529-S1531 PolarHBondContact O-N 2.98Å; S1529-S1531 VanDerWaalsContact O-N 3.09Å; S1529-S1532 PolarHBondContact O-N 3.45Å; S1529-M1533 PolarHBondContact O-N 3.41Å; S1529-M1533 VanDerWaalsContact O-N 3.14Å |
| 1530 | S | 37.5 | Very low | 41.8 | Very low | 35 Ų | 35 | 90 Ų | 90 | 25% | 0.245 | 52% | 0.518 | C | S | . | . | H | α-helix | trans | -76.9 | -36.8 | -177.9 | -57.1 | 0 | 0 | 0 | 0 | 113.3 | S1527 T1528 S1532 M1533 L1534 | S1527-S1530 PolarHBondContact O-N 3.14Å; T1528-S1530 PolarHBondContact O-N 3.24Å; S1530-S1532 VanDerWaalsContact C-N 3.3Å; S1530-S1532 PolarHBondContact O-N 3.02Å; S1530-M1533 PolarHBondContact O-N 3.07Å; S1530-L1534 PolarHBondContact O-N 2.88Å |
| 1531 | S | 35.6 | Very low | 39.2 | Very low | 91.4 Ų | 91.4 | 98.5 Ų | 98.5 | 64% | 0.639 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -76.7 | -23.1 | -174.6 | -119.3 | 0 | 0 | 0 | 0 | 114.1 | S1527 S1529 M1533 M1535 | S1527-S1531 WeakPolarHBondContact O-CB 3.43Å; S1527-S1531 PolarHBondContact O-N 3.46Å; S1527-S1531 PolarHBondContact O-OG 3.03Å; S1529-S1531 PolarHBondContact O-N 2.98Å; S1529-S1531 VanDerWaalsContact O-N 3.09Å; S1531-M1533 VanDerWaalsContact C-N 3.3Å; S1531-M1533 PolarHBondContact O-N 3.32Å; S1531-M1535 WeakPolarHBondContact O-CG 3.4Å |
| 1532 | S | 35.4 | Very low | 37 | Very low | 86.2 Ų | 86.2 | 103.5 Ų | 103.5 | 60% | 0.603 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -87.7 | -27.7 | -177.7 | -172.8 | 0 | 0 | 0 | 0 | 113.8 | S1529 S1530 | S1529-S1532 PolarHBondContact O-N 3.45Å; S1530-S1532 VanDerWaalsContact C-N 3.3Å; S1530-S1532 PolarHBondContact O-N 3.02Å |
| 1533 | M | 33.1 | Very low | 35.6 | Very low | 123 Ų | 123 | 105 Ų | 105 | 61% | 0.606 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -94.1 | -19.7 | -174 | -70.2 | -142.9 | 90.4 | 0 | 0 | 114.7 | L1504 S1529 S1530 S1531 M1535 | L1504-M1533 HydrophobicContact CD2-CE 3.75Å; L1504-M1533 HydrophobicContact CD2-SD 3.86Å; L1504-M1533 VanDerWaalsContact CD2-SD 3.6Å; S1529-M1533 PolarHBondContact O-N 3.41Å; S1529-M1533 VanDerWaalsContact O-N 3.14Å; S1530-M1533 PolarHBondContact O-N 3.07Å; S1531-M1533 VanDerWaalsContact C-N 3.3Å; S1531-M1533 PolarHBondContact O-N 3.32Å; M1533-M1535 VanDerWaalsContact C-N 3.35Å; M1533-M1535 PolarHBondContact O-N 3.22Å |
| 1534 | L | 34.3 | Very low | 34.4 | Very low | 112 Ų | 112 | 110.3 Ų | 110.3 | 59% | 0.586 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.5 | -9.7 | 177.8 | -71.4 | 174.1 | 0 | 0 | 0 | 113.6 | I1507 S1530 E1536 | I1507-L1534 HydrophobicContact CD1-CD2 4.11Å; S1530-L1534 PolarHBondContact O-N 2.88Å; L1534-E1536 VanDerWaalsContact C-N 3.3Å; L1534-E1536 PolarHBondContact O-N 2.95Å |
| 1535 | M | 31.7 | Very low | 33.3 | Very low | 157.2 Ų | 157.2 | 116.5 Ų | 116.5 | 77% | 0.774 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.9 | -9 | -177.4 | -68.9 | -68.9 | -170.5 | 0 | 0 | 114.8 | S1531 M1533 K1537 | S1531-M1535 WeakPolarHBondContact O-CG 3.4Å; M1533-M1535 VanDerWaalsContact C-N 3.35Å; M1533-M1535 PolarHBondContact O-N 3.22Å; M1535-K1537 VanDerWaalsContact C-N 3.32Å; M1535-K1537 PolarHBondContact O-N 3.37Å |
| 1536 | E | 31 | Very low | 32.4 | Very low | 159 Ų | 159 | 120.6 Ų | 120.6 | 74% | 0.743 | 67% | 0.667 | S | S | * | * | trans | -97.4 | 29 | -176.1 | -73.2 | -167.7 | 153.2 | 0 | 0 | 114 | L1534 E1538 | L1534-E1536 VanDerWaalsContact C-N 3.3Å; L1534-E1536 PolarHBondContact O-N 2.95Å; E1536-E1538 VanDerWaalsContact C-N 3.32Å; E1536-E1538 PolarHBondContact O-N 2.94Å | ||
| 1537 | K | 31.6 | Very low | 31.7 | Very low | 203.2 Ų | 203.2 | 125.4 Ų | 125.4 | 88% | 0.883 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -104 | 9.7 | 174.6 | -123 | 179.8 | -175.2 | 177.3 | 0 | 115.1 | M1535 | M1535-K1537 VanDerWaalsContact C-N 3.32Å; M1535-K1537 PolarHBondContact O-N 3.37Å |
| 1538 | E | 28.6 | Very low | 31.5 | Very low | 194.8 Ų | 194.8 | 126.7 Ų | 126.7 | 91% | 0.91 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -137.6 | 89.7 | 172.6 | -79.6 | -174.1 | -178.9 | 0 | 0 | 110.9 | E1536 | E1536-E1538 VanDerWaalsContact C-N 3.32Å; E1536-E1538 PolarHBondContact O-N 2.94Å |
| 1539 | G | 28.7 | Very low | 31.5 | Very low | 69.8 Ų | 69.8 | 127.5 Ų | 127.5 | 72% | 0.72 | 71% | 0.708 | S | S | * | * | trans | 150.7 | 90 | 171.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | H1541 | G1539-H1541 VanDerWaalsContact C-N 3.27Å; G1539-H1541 PolarHBondContact O-N 2.99Å | ||
| 1540 | S | 27.1 | Very low | 31.6 | Very low | 109.2 Ų | 109.2 | 129.3 Ų | 129.3 | 76% | 0.764 | 72% | 0.717 | S | S | * | * | trans | -50.8 | 97.9 | 164.2 | 58 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 1541 | H | 29.6 | Very low | 32 | Very low | 179.8 Ų | 179.8 | 130.3 Ų | 130.3 | 83% | 0.832 | 72% | 0.723 | S | S | * | * | trans | -168.4 | 120.8 | 149.6 | -80.7 | -59.5 | 0 | 0 | 0 | 113 | G1539 S1543 | G1539-H1541 VanDerWaalsContact C-N 3.27Å; G1539-H1541 PolarHBondContact O-N 2.99Å; H1541-S1543 VanDerWaalsContact C-N 3.28Å; H1541-S1543 PolarHBondContact O-N 2.88Å | ||
| 1542 | S | 27 | Very low | 32.7 | Very low | 122.2 Ų | 122.2 | 128.3 Ų | 128.3 | 86% | 0.855 | 71% | 0.709 | S | S | * | * | trans | -58.7 | 109.9 | 170.5 | 54.6 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1543 | S | 30.7 | Very low | 33.8 | Very low | 98 Ų | 98 | 126.5 Ų | 126.5 | 69% | 0.685 | 69% | 0.693 | S | S | * | * | trans | -134.7 | 121.5 | 156.8 | 57.7 | 0 | 0 | 0 | 0 | 109.3 | H1541 W1545 | H1541-S1543 VanDerWaalsContact C-N 3.28Å; H1541-S1543 PolarHBondContact O-N 2.88Å; S1543-W1545 VanDerWaalsContact C-N 3.29Å; S1543-W1545 PolarHBondContact O-N 3.09Å; S1543-W1545 VanDerWaalsContact O-N 3.08Å | ||
| 1544 | E | 27.7 | Very low | 35.6 | Very low | 196.4 Ų | 196.4 | 125.1 Ų | 125.1 | 92% | 0.918 | 69% | 0.685 | S | S | * | * | trans | -66 | 96.7 | 178.7 | -65.8 | 171.4 | 140.4 | 0 | 0 | 110.3 | ||||
| 1545 | W | 25.3 | Very low | 37.4 | Very low | 230.2 Ų | 230.2 | 120.3 Ų | 120.3 | 87% | 0.872 | 66% | 0.661 | S | S | * | * | trans | -95.8 | 131 | 164.7 | -97.4 | 19.1 | 0 | 0 | 0 | 109.9 | S1543 N1547 | S1543-W1545 VanDerWaalsContact C-N 3.29Å; S1543-W1545 PolarHBondContact O-N 3.09Å; S1543-W1545 VanDerWaalsContact O-N 3.08Å; W1545-N1547 PolarHBondContact O-N 3.32Å; W1545-N1547 VanDerWaalsContact O-N 3.15Å | ||
| 1546 | T | 27.5 | Very low | 39.5 | Very low | 124.6 Ų | 124.6 | 115.7 Ų | 115.7 | 76% | 0.764 | 64% | 0.638 | S | S | * | * | trans | -74.5 | 113.2 | -167 | 47.8 | 0 | 0 | 0 | 0 | 112.4 | S1548 | T1546-S1548 PolarHBondContact O-N 3.17Å; T1546-S1548 VanDerWaalsContact O-N 3.13Å; T1546-S1548 PolarHBondContact O-OG 3.25Å; T1546-S1548 VanDerWaalsContact O-OG 3.07Å | ||
| 1547 | N | 30.3 | Very low | 41.8 | Very low | 141.8 Ų | 141.8 | 109.8 Ų | 109.8 | 76% | 0.758 | 61% | 0.611 | S | S | * | * | trans | -59.6 | 77.4 | 174.7 | -75.7 | -37.6 | 0 | 0 | 0 | 113.8 | W1545 T1550 | W1545-N1547 PolarHBondContact O-N 3.32Å; W1545-N1547 VanDerWaalsContact O-N 3.15Å; N1547-T1550 PolarHBondContact O-OG1 3.42Å; N1547-T1550 VanDerWaalsContact O-OG1 3.11Å | ||
| 1548 | S | 33.7 | Very low | 44.2 | Very low | 91.8 Ų | 91.8 | 100.8 Ų | 100.8 | 64% | 0.642 | 57% | 0.572 | S | S | * | * | trans | -112.4 | -15.1 | -179.8 | 60 | 0 | 0 | 0 | 0 | 115.1 | T1546 | T1546-S1548 PolarHBondContact O-N 3.17Å; T1546-S1548 VanDerWaalsContact O-N 3.13Å; T1546-S1548 PolarHBondContact O-OG 3.25Å; T1546-S1548 VanDerWaalsContact O-OG 3.07Å | ||
| 1549 | S | 37 | Very low | 46.9 | Very low | 98.6 Ų | 98.6 | 91.9 Ų | 91.9 | 69% | 0.69 | 53% | 0.53 | S | S | * | . | S | Bend | trans | -106.6 | -4.1 | -174.1 | -39 | 0 | 0 | 0 | 0 | 115.2 | N1553 | S1549-N1553 PolarHBondContact O-ND2 2.85Š|
| 1550 | T | 40.4 | Very low | 49.4 | Very low | 91.4 Ų | 91.4 | 88.9 Ų | 88.9 | 56% | 0.561 | 50% | 0.498 | S | S | * | . | trans | -94.1 | -12.5 | -169.2 | 49.6 | 0 | 0 | 0 | 0 | 115.1 | N1547 S1552 N1553 H1554 | N1547-T1550 PolarHBondContact O-OG1 3.42Å; N1547-T1550 VanDerWaalsContact O-OG1 3.11Å; T1550-S1552 PolarHBondContact O-N 2.78Å; T1550-N1553 PolarHBondContact O-N 3.2Å; T1550-H1554 PolarHBondContact O-N 3.25Å | ||
| 1551 | S | 46.6 | Very low | 52.2 | Low | 55.4 Ų | 55.4 | 85.6 Ų | 85.6 | 39% | 0.387 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -72.4 | -33.3 | -171 | 103.3 | 0 | 0 | 0 | 0 | 114.9 | N1553 H1554 Q1770 N1772 | S1551-N1553 VanDerWaalsContact C-N 3.31Å; S1551-N1553 PolarHBondContact O-N 3.09Å; S1551-N1553 VanDerWaalsContact O-N 3.07Å; S1551-H1554 WeakPolarHBondContact O-CB 3.47Å; S1551-H1554 PolarHBondContact O-N 3.06Å; S1551-Q1770 PolarHBondContact O-NE2 3.23Å; S1551-N1772 WeakPolarHBondContact CB-ND2 3.42Å; S1551-N1772 WeakPolarHBondContact CB-OD1 3.42Å; S1551-N1772 VanDerWaalsContact OG-CG 3.32Å; S1551-N1772 PolarHBondContact OG-ND2 3.32Å; S1551-N1772 PolarHBondContact OG-OD1 2.86Å |
| 1552 | S | 49.1 | Very low | 54.9 | Low | 49.4 Ų | 49.4 | 78 Ų | 78 | 35% | 0.345 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -60.1 | -39.5 | -179.1 | 51.3 | 0 | 0 | 0 | 0 | 112.7 | T1550 H1554 S1555 Q1770 N1772 | T1550-S1552 PolarHBondContact O-N 2.78Å; S1552-H1554 VanDerWaalsContact C-N 3.31Å; S1552-H1554 PolarHBondContact O-N 3.13Å; S1552-S1555 PolarHBondContact O-N 3.35Å; S1552-Q1770 VanDerWaalsContact CA-NE2 3.33Å; S1552-Q1770 PolarHBondContact O-NE2 2.84Å; S1552-N1772 WeakPolarHBondContact CA-ND2 3.38Å; S1552-N1772 WeakPolarHBondContact CB-ND2 3.35Å; S1552-N1772 PolarHBondContact N-ND2 3.17Å |
| 1553 | N | 59 | Low | 57.7 | Low | 48.4 Ų | 48.4 | 72.2 Ų | 72.2 | 26% | 0.259 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -75.1 | -22.8 | -174.9 | -61.5 | 5.2 | 0 | 0 | 0 | 111.5 | T1528 S1549 T1550 S1551 S1555 E1556 L1557 | T1528-N1553 HydrophobicContact CG2-CB 4.06Å; T1528-N1553 WeakPolarHBondContact CG2-ND2 3.46Å; T1528-N1553 PolarHBondContact OG1-ND2 3.49Å; S1549-N1553 PolarHBondContact O-ND2 2.85Å; T1550-N1553 PolarHBondContact O-N 3.2Å; S1551-N1553 VanDerWaalsContact C-N 3.31Å; S1551-N1553 PolarHBondContact O-N 3.09Å; S1551-N1553 VanDerWaalsContact O-N 3.07Å; N1553-S1555 VanDerWaalsContact C-N 3.33Å; N1553-S1555 PolarHBondContact O-N 3.21Å; N1553-E1556 WeakPolarHBondContact O-CB 3.4Å; N1553-E1556 PolarHBondContact O-N 3.04Å; N1553-E1556 VanDerWaalsContact O-N 3.08Å; N1553-L1557 HydrophobicContact CB-CD1 4.25Å; N1553-L1557 VanDerWaalsContact O-CB 3.26Å; N1553-L1557 WeakPolarHBondContact O-CB 3.36Å; N1553-L1557 VanDerWaalsContact O-CG 3.25Å; N1553-L1557 WeakPolarHBondContact O-CG 3.31Å; N1553-L1557 PolarHBondContact O-N 2.95Å |
| 1554 | H | 70.7 | Confident | 60.3 | Low | 94 Ų | 94 | 67.6 Ų | 67.6 | 44% | 0.435 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -62.1 | -39.6 | -174.6 | -167 | -65.7 | 0 | 0 | 0 | 112.7 | T1550 S1551 S1552 E1556 L1557 I1558 | T1550-H1554 PolarHBondContact O-N 3.25Å; S1551-H1554 WeakPolarHBondContact O-CB 3.47Å; S1551-H1554 PolarHBondContact O-N 3.06Å; S1552-H1554 VanDerWaalsContact C-N 3.31Å; S1552-H1554 PolarHBondContact O-N 3.13Å; H1554-E1556 VanDerWaalsContact C-N 3.35Å; H1554-E1556 PolarHBondContact O-N 2.9Å; H1554-L1557 PolarHBondContact O-N 3.06Å; H1554-I1558 VanDerWaalsContact CE1-CD1 3.44Å; H1554-I1558 WeakPolarHBondContact CE1-CD1 3.36Å; H1554-I1558 VanDerWaalsContact ND1-CD1 3.31Å; H1554-I1558 WeakPolarHBondContact ND1-CD1 3.36Å; H1554-I1558 WeakPolarHBondContact ND1-CG1 3.38Å; H1554-I1558 WeakPolarHBondContact O-CB 3.34Å; H1554-I1558 WeakPolarHBondContact O-CD1 3.35Å; H1554-I1558 VanDerWaalsContact O-CG1 3.26Å; H1554-I1558 WeakPolarHBondContact O-CG1 3.3Å; H1554-I1558 PolarHBondContact O-N 3.1Å |
| 1555 | S | 73.1 | Confident | 63.1 | Low | 10.6 Ų | 10.6 | 61.6 Ų | 61.6 | 7% | 0.074 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -72.8 | -31.5 | 178.4 | -44.1 | 0 | 0 | 0 | 0 | 112.8 | S1552 N1553 I1558 L1559 P1653 V1658 Q1770 L1771 | S1552-S1555 PolarHBondContact O-N 3.35Å; N1553-S1555 VanDerWaalsContact C-N 3.33Å; N1553-S1555 PolarHBondContact O-N 3.21Å; S1555-I1558 PolarHBondContact O-N 2.87Å; S1555-L1559 PolarHBondContact O-N 3.11Å; S1555-L1559 VanDerWaalsContact O-N 3.11Å; S1555-P1653 PolarHBondContact OG-O 2.93Å; S1555-V1658 VanDerWaalsContact CB-CG2 3.4Å; S1555-V1658 VanDerWaalsContact OG-CG2 3.32Å; S1555-V1658 WeakPolarHBondContact OG-CG2 3.32Å; S1555-Q1770 PolarHBondContact OG-NE2 2.9Å; S1555-L1771 WeakPolarHBondContact OG-CD1 3.5Å; S1555-L1771 WeakPolarHBondContact OG-CD2 3.32Å |
| 1556 | E | 74.7 | Confident | 65.9 | Low | 62 Ų | 62 | 55 Ų | 55 | 29% | 0.29 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -66.1 | -44.2 | 171.5 | -64.7 | -178.5 | 171.3 | 0 | 0 | 111.3 | L1524 L1525 N1553 H1554 I1558 L1559 L1560 V1658 | L1524-E1556 HydrophobicContact CD1-CB 4.33Å; L1524-E1556 HydrophobicContact CD2-CB 3.92Å; L1524-E1556 WeakPolarHBondContact CD2-OE2 3.49Å; L1525-E1556 HydrophobicContact CD2-CB 3.99Å; L1525-E1556 HydrophobicContact CD2-CG 4.03Å; L1525-E1556 WeakPolarHBondContact CD2-OE2 3.21Å; N1553-E1556 WeakPolarHBondContact O-CB 3.4Å; N1553-E1556 PolarHBondContact O-N 3.04Å; N1553-E1556 VanDerWaalsContact O-N 3.08Å; H1554-E1556 VanDerWaalsContact C-N 3.35Å; H1554-E1556 PolarHBondContact O-N 2.9Å; E1556-I1558 VanDerWaalsContact C-N 3.34Å; E1556-I1558 PolarHBondContact O-N 3.2Å; E1556-L1559 PolarHBondContact O-N 3.17Å; E1556-L1560 WeakPolarHBondContact O-CB 3.25Å; E1556-L1560 PolarHBondContact O-N 3.18Å; E1556-V1658 HydrophobicContact CB-CG1 4.43Å; E1556-V1658 HydrophobicContact CG-CG1 3.93Å; E1556-V1658 HydrophobicContact CG-CG2 4.11Å |
| 1557 | L | 78.7 | Confident | 68.5 | Low | 34.2 Ų | 34.2 | 50.9 Ų | 50.9 | 18% | 0.179 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -66.2 | -34.7 | 175.5 | -65.1 | 178.9 | 0 | 0 | 0 | 112.4 | C1503 L1524 N1553 H1554 L1560 R1561 | C1503-L1557 HydrophobicContact CB-CB 3.83Å; C1503-L1557 HydrophobicContact CB-CD1 4.33Å; C1503-L1557 HydrophobicContact CB-CG 4.45Å; L1524-L1557 HydrophobicContact CD2-CD2 4.28Å; N1553-L1557 HydrophobicContact CB-CD1 4.25Å; N1553-L1557 VanDerWaalsContact O-CB 3.26Å; N1553-L1557 WeakPolarHBondContact O-CB 3.36Å; N1553-L1557 VanDerWaalsContact O-CG 3.25Å; N1553-L1557 WeakPolarHBondContact O-CG 3.31Å; N1553-L1557 PolarHBondContact O-N 2.95Å; H1554-L1557 PolarHBondContact O-N 3.06Å; L1557-L1560 PolarHBondContact O-N 2.93Å; L1557-R1561 VanDerWaalsContact O-CB 3.26Å; L1557-R1561 WeakPolarHBondContact O-CB 3.32Å; L1557-R1561 PolarHBondContact O-N 3.23Å |
| 1558 | I | 82.8 | Confident | 71.2 | Confident | 15.2 Ų | 15.2 | 50.5 Ų | 50.5 | 8% | 0.078 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -63.5 | -48.6 | 170.9 | -72.3 | 161.1 | 0 | 0 | 0 | 110.6 | H1554 S1555 E1556 L1560 R1561 L1562 L1655 | H1554-I1558 VanDerWaalsContact CE1-CD1 3.44Å; H1554-I1558 WeakPolarHBondContact CE1-CD1 3.36Å; H1554-I1558 VanDerWaalsContact ND1-CD1 3.31Å; H1554-I1558 WeakPolarHBondContact ND1-CD1 3.36Å; H1554-I1558 WeakPolarHBondContact ND1-CG1 3.38Å; H1554-I1558 WeakPolarHBondContact O-CB 3.34Å; H1554-I1558 WeakPolarHBondContact O-CD1 3.35Å; H1554-I1558 VanDerWaalsContact O-CG1 3.26Å; H1554-I1558 WeakPolarHBondContact O-CG1 3.3Å; H1554-I1558 PolarHBondContact O-N 3.1Å; S1555-I1558 PolarHBondContact O-N 2.87Å; E1556-I1558 VanDerWaalsContact C-N 3.34Å; E1556-I1558 PolarHBondContact O-N 3.2Å; I1558-L1560 VanDerWaalsContact C-N 3.3Å; I1558-L1560 PolarHBondContact O-N 3.22Å; I1558-R1561 PolarHBondContact O-N 3.25Å; I1558-L1562 HydrophobicContact CG2-CD1 3.74Å; I1558-L1562 HydrophobicContact CG2-CG 4.18Å; I1558-L1562 WeakPolarHBondContact O-CB 3.36Å; I1558-L1562 VanDerWaalsContact O-CG 3.29Å; I1558-L1562 WeakPolarHBondContact O-CG 3.36Å; I1558-L1562 PolarHBondContact O-N 3.02Å; I1558-L1655 HydrophobicContact CG2-CD1 4.23Å |
| 1559 | L | 84.3 | Confident | 73.9 | Confident | 6.2 Ų | 6.2 | 46.2 Ų | 46.2 | 3% | 0.032 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -59.7 | -44.1 | 179 | 179.1 | 64.7 | 0 | 0 | 0 | 110.6 | S1555 E1556 R1561 L1562 L1563 L1638 L1641 L1655 V1658 L1659 S1662 | S1555-L1559 PolarHBondContact O-N 3.11Å; S1555-L1559 VanDerWaalsContact O-N 3.11Å; E1556-L1559 PolarHBondContact O-N 3.17Å; L1559-R1561 VanDerWaalsContact C-N 3.33Å; L1559-R1561 PolarHBondContact O-N 2.93Å; L1559-L1562 PolarHBondContact O-N 3.12Å; L1559-L1563 HydrophobicContact CD1-CD1 4.5Å; L1559-L1563 HydrophobicContact CD1-CG 4.44Å; L1559-L1563 HydrophobicContact CG-CD1 4.19Å; L1559-L1563 VanDerWaalsContact O-CB 3.3Å; L1559-L1563 WeakPolarHBondContact O-CB 3.43Å; L1559-L1563 WeakPolarHBondContact O-CG 3.17Å; L1559-L1563 PolarHBondContact O-N 3.15Å; L1559-L1638 HydrophobicContact CD1-CD2 4.47Å; L1559-L1638 HydrophobicContact CD2-CD2 4.29Å; L1559-L1641 HydrophobicContact CD1-CD1 4.18Å; L1559-L1641 HydrophobicContact CD1-CD2 3.57Å; L1559-L1641 VanDerWaalsContact CD1-CD2 3.41Å; L1559-L1655 HydrophobicContact CB-CD1 4.17Å; L1559-L1655 HydrophobicContact CD1-CD1 4.27Å; L1559-V1658 HydrophobicContact CB-CG1 3.98Å; L1559-V1658 HydrophobicContact CD2-CG1 3.66Å; L1559-V1658 HydrophobicContact CG-CG1 4.43Å; L1559-L1659 HydrophobicContact CD1-CD1 4.29Å; L1559-L1659 HydrophobicContact CD2-CB 4.42Å; L1559-S1662 WeakPolarHBondContact CD2-OG 3.41Å |
| 1560 | L | 82.7 | Confident | 76.5 | Confident | 8.2 Ų | 8.2 | 43.3 Ų | 43.3 | 4% | 0.043 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -60 | -47 | 176.7 | 179.7 | 57.1 | 0 | 0 | 0 | 111.7 | L1519 V1521 L1524 E1556 L1557 I1558 L1562 L1563 I1564 | L1519-L1560 HydrophobicContact CD2-CD1 3.53Å; L1519-L1560 VanDerWaalsContact CD2-CD1 3.46Å; L1519-L1560 HydrophobicContact CG-CD1 4.39Å; V1521-L1560 HydrophobicContact CG2-CD1 3.66Å; V1521-L1560 VanDerWaalsContact CG2-CD1 3.4Å; V1521-L1560 HydrophobicContact CG2-CD2 4.17Å; V1521-L1560 HydrophobicContact CG2-CG 4.38Å; L1524-L1560 HydrophobicContact CB-CD2 4.28Å; L1524-L1560 HydrophobicContact CD1-CB 4.05Å; L1524-L1560 HydrophobicContact CD1-CD2 3.73Å; L1524-L1560 HydrophobicContact CD1-CG 4.41Å; E1556-L1560 WeakPolarHBondContact O-CB 3.25Å; E1556-L1560 PolarHBondContact O-N 3.18Å; L1557-L1560 PolarHBondContact O-N 2.93Å; I1558-L1560 VanDerWaalsContact C-N 3.3Å; I1558-L1560 PolarHBondContact O-N 3.22Å; L1560-L1562 PolarHBondContact O-N 2.94Å; L1560-L1563 WeakPolarHBondContact O-CB 3.42Å; L1560-L1563 PolarHBondContact O-N 2.85Å; L1560-I1564 HydrophobicContact CD1-CD1 3.94Å; L1560-I1564 HydrophobicContact CD1-CG1 4.24Å; L1560-I1564 HydrophobicContact CG-CD1 3.89Å; L1560-I1564 WeakPolarHBondContact O-CB 3.36Å; L1560-I1564 VanDerWaalsContact O-CG1 3.27Å; L1560-I1564 WeakPolarHBondContact O-CG1 3.38Å; L1560-I1564 PolarHBondContact O-N 3.2Å |
| 1561 | R | 85.8 | Confident | 78.9 | Confident | 38.8 Ų | 38.8 | 39.6 Ų | 39.6 | 15% | 0.146 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -59.7 | -47.8 | 175.3 | -173.4 | -171.2 | 92 | -161.5 | 4 | 111.6 | R1499 T1500 I1501 C1503 L1557 I1558 L1559 L1563 I1564 D1565 | R1499-R1561 HydrophobicContact CB-CB 4.37Å; R1499-R1561 HydrophobicContact CB-CG 4.07Å; T1500-R1561 WeakPolarHBondContact O-CD 3.41Å; I1501-R1561 VanDerWaalsContact CA-NH1 3.28Å; I1501-R1561 PolarHBondContact O-NH1 3.23Å; C1503-R1561 PolarHBondContact SG-NH1 2.75Å; L1557-R1561 VanDerWaalsContact O-CB 3.26Å; L1557-R1561 WeakPolarHBondContact O-CB 3.32Å; L1557-R1561 PolarHBondContact O-N 3.23Å; I1558-R1561 PolarHBondContact O-N 3.25Å; L1559-R1561 VanDerWaalsContact C-N 3.33Å; L1559-R1561 PolarHBondContact O-N 2.93Å; R1561-L1563 VanDerWaalsContact C-N 3.28Å; R1561-L1563 PolarHBondContact O-N 3.32Å; R1561-I1564 WeakPolarHBondContact O-CB 3.28Å; R1561-I1564 PolarHBondContact O-N 3.24Å; R1561-D1565 WeakPolarHBondContact CG-OD2 3.18Å; R1561-D1565 IonicContact NE-OD2 3.24Å; R1561-D1565 PolarHBondContact NE-OD2 3.23Å; R1561-D1565 WeakPolarHBondContact O-CB 3.25Å; R1561-D1565 VanDerWaalsContact O-CG 3.29Å; R1561-D1565 PolarHBondContact O-N 3.04Å |
| 1562 | L | 85.8 | Confident | 80.9 | Confident | 19.6 Ų | 19.6 | 37.4 Ų | 37.4 | 10% | 0.103 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -60.4 | -37.7 | 178.5 | -71.4 | 172.9 | 0 | 0 | 0 | 111.8 | I1558 L1559 L1560 Y1566 L1641 L1645 D1649 L1655 | I1558-L1562 HydrophobicContact CG2-CD1 3.74Å; I1558-L1562 HydrophobicContact CG2-CG 4.18Å; I1558-L1562 WeakPolarHBondContact O-CB 3.36Å; I1558-L1562 VanDerWaalsContact O-CG 3.29Å; I1558-L1562 WeakPolarHBondContact O-CG 3.36Å; I1558-L1562 PolarHBondContact O-N 3.02Å; L1559-L1562 PolarHBondContact O-N 3.12Å; L1560-L1562 PolarHBondContact O-N 2.94Å; L1562-Y1566 WeakPolarHBondContact O-CA 2.8Å; L1562-Y1566 WeakPolarHBondContact O-CB 3.4Å; L1562-Y1566 PolarHBondContact O-N 2.97Å; L1562-L1641 HydrophobicContact CB-CD1 4.15Å; L1562-L1641 HydrophobicContact CB-CD2 4.41Å; L1562-L1645 HydrophobicContact CD1-CD2 4.05Å; L1562-D1649 HydrophobicContact CD1-CB 4.41Å; L1562-L1655 HydrophobicContact CD1-CD1 4.06Å; L1562-L1655 HydrophobicContact CD1-CD2 4.19Å |
| 1563 | L | 85.6 | Confident | 82.9 | Confident | 1 Ų | 1 | 35.3 Ų | 35.3 | 1% | 0.005 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -68.2 | -44.2 | 175.4 | -134.5 | 123.2 | 0 | 0 | 0 | 112.1 | L1519 L1559 L1560 R1561 Y1566 L1567 I1633 L1638 L1641 | L1519-L1563 HydrophobicContact CD1-CD2 3.97Å; L1519-L1563 HydrophobicContact CD2-CB 4.1Å; L1519-L1563 HydrophobicContact CD2-CD1 4.46Å; L1519-L1563 HydrophobicContact CD2-CD2 3.82Å; L1519-L1563 HydrophobicContact CD2-CG 4.35Å; L1519-L1563 HydrophobicContact CG-CD2 4.43Å; L1559-L1563 HydrophobicContact CD1-CD1 4.5Å; L1559-L1563 HydrophobicContact CD1-CG 4.44Å; L1559-L1563 HydrophobicContact CG-CD1 4.19Å; L1559-L1563 VanDerWaalsContact O-CB 3.3Å; L1559-L1563 WeakPolarHBondContact O-CB 3.43Å; L1559-L1563 WeakPolarHBondContact O-CG 3.17Å; L1559-L1563 PolarHBondContact O-N 3.15Å; L1560-L1563 WeakPolarHBondContact O-CB 3.42Å; L1560-L1563 PolarHBondContact O-N 2.85Å; R1561-L1563 VanDerWaalsContact C-N 3.28Å; R1561-L1563 PolarHBondContact O-N 3.32Å; L1563-Y1566 PolarHBondContact O-N 2.81Å; L1563-L1567 HydrophobicContact CB-CD1 4.44Å; L1563-L1567 HydrophobicContact CD1-CD1 3.66Å; L1563-L1567 HydrophobicContact CD1-CG 4.1Å; L1563-L1567 HydrophobicContact CD2-CD1 3.87Å; L1563-L1567 HydrophobicContact CG-CD1 3.85Å; L1563-L1567 HydrophobicContact CG-CG 4.46Å; L1563-L1567 VanDerWaalsContact O-CB 3.25Å; L1563-L1567 WeakPolarHBondContact O-CB 3.3Å; L1563-L1567 VanDerWaalsContact O-CG 3.28Å; L1563-L1567 WeakPolarHBondContact O-CG 3.45Å; L1563-L1567 PolarHBondContact O-N 3.27Å; L1563-L1567 VanDerWaalsContact O-N 3.12Å; L1563-I1633 HydrophobicContact CD1-CD1 4.06Å; L1563-I1633 HydrophobicContact CD1-CG1 4.08Å; L1563-I1633 HydrophobicContact CD1-CG2 4.44Å; L1563-I1633 HydrophobicContact CD2-CB 4.37Å; L1563-I1633 HydrophobicContact CD2-CD1 4.04Å; L1563-I1633 HydrophobicContact CD2-CG1 3.86Å; L1563-I1633 HydrophobicContact CD2-CG2 4.23Å; L1563-L1638 HydrophobicContact CD1-CD2 3.96Å; L1563-L1638 HydrophobicContact CD1-CG 4.37Å; L1563-L1638 HydrophobicContact CD2-CD2 4.28Å; L1563-L1641 HydrophobicContact CB-CD1 3.78Å; L1563-L1641 HydrophobicContact CB-CD2 4.21Å; L1563-L1641 HydrophobicContact CD1-CB 4.15Å; L1563-L1641 HydrophobicContact CD1-CD1 4.36Å; L1563-L1641 HydrophobicContact CD1-CD2 4.01Å; L1563-L1641 HydrophobicContact CD2-CB 3.95Å; L1563-L1641 HydrophobicContact CD2-CD2 3.68Å; L1563-L1641 HydrophobicContact CD2-CG 4.31Å; L1563-L1641 HydrophobicContact CG-CD1 4.35Å; L1563-L1641 HydrophobicContact CG-CD2 3.86Å |
| 1564 | I | 86.2 | Confident | 84 | Confident | 1.4 Ų | 1.4 | 34.3 Ų | 34.3 | 1% | 0.007 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -58.6 | -51.5 | 175.5 | -75.4 | 170.1 | 0 | 0 | 0 | 110.5 | R1499 L1519 L1560 R1561 Y1566 Q1568 I1569 E1571 | R1499-I1564 HydrophobicContact CG-CD1 4.38Å; L1519-I1564 HydrophobicContact CD2-CG1 4.07Å; L1560-I1564 HydrophobicContact CD1-CD1 3.94Å; L1560-I1564 HydrophobicContact CD1-CG1 4.24Å; L1560-I1564 HydrophobicContact CG-CD1 3.89Å; L1560-I1564 WeakPolarHBondContact O-CB 3.36Å; L1560-I1564 VanDerWaalsContact O-CG1 3.27Å; L1560-I1564 WeakPolarHBondContact O-CG1 3.38Å; L1560-I1564 PolarHBondContact O-N 3.2Å; R1561-I1564 WeakPolarHBondContact O-CB 3.28Å; R1561-I1564 PolarHBondContact O-N 3.24Å; I1564-Y1566 PolarHBondContact O-N 2.88Å; I1564-Q1568 VanDerWaalsContact O-CA 3.27Å; I1564-Q1568 WeakPolarHBondContact O-CA 3.22Å; I1564-Q1568 PolarHBondContact O-N 3.22Å; I1564-Q1568 VanDerWaalsContact O-N 3.11Å; I1564-I1569 HydrophobicContact CG1-CG1 4.43Å; I1564-I1569 VanDerWaalsContact CG2-O 3.25Å; I1564-I1569 WeakPolarHBondContact CG2-O 3.37Å; I1564-I1569 PolarHBondContact O-N 3.22Å; I1564-I1569 VanDerWaalsContact O-N 3.13Å; I1564-E1571 HydrophobicContact CD1-CB 4.06Å; I1564-E1571 HydrophobicContact CD1-CG 4.2Å |
| 1565 | D | 85.5 | Confident | 84.6 | Confident | 70.8 Ų | 70.8 | 33 Ų | 33 | 38% | 0.379 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -63.8 | -45 | -179.7 | -69.6 | -18.8 | 0 | 0 | 0 | 111.4 | R1561 Q1568 | R1561-D1565 WeakPolarHBondContact CG-OD2 3.18Å; R1561-D1565 IonicContact NE-OD2 3.24Å; R1561-D1565 PolarHBondContact NE-OD2 3.23Å; R1561-D1565 WeakPolarHBondContact O-CB 3.25Å; R1561-D1565 VanDerWaalsContact O-CG 3.29Å; R1561-D1565 PolarHBondContact O-N 3.04Å; D1565-Q1568 VanDerWaalsContact O-CD 3.28Å; D1565-Q1568 PolarHBondContact O-N 3.04Å; D1565-Q1568 PolarHBondContact O-NE2 3.18Å |
| 1566 | Y | 83.9 | Confident | 85.3 | Confident | 91.8 Ų | 91.8 | 32.5 Ų | 32.5 | 36% | 0.36 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -69.2 | -45.8 | -177.2 | 177.3 | -100.6 | 0 | 0 | 0 | 112.7 | L1562 L1563 I1564 Q1568 N1640 L1641 N1644 | L1562-Y1566 WeakPolarHBondContact O-CA 2.8Å; L1562-Y1566 WeakPolarHBondContact O-CB 3.4Å; L1562-Y1566 PolarHBondContact O-N 2.97Å; L1563-Y1566 PolarHBondContact O-N 2.81Å; I1564-Y1566 PolarHBondContact O-N 2.88Å; Y1566-Q1568 VanDerWaalsContact C-N 3.28Å; Y1566-Q1568 PolarHBondContact O-N 3.27Å; Y1566-N1640 HydrophobicContact CE1-CB 4.03Å; Y1566-N1640 WeakPolarHBondContact CE1-O 3.43Å; Y1566-N1640 VanDerWaalsContact CZ-O 3.28Å; Y1566-N1640 PolarHBondContact OH-O 3.23Å; Y1566-L1641 HydrophobicContact CD1-CB 4.35Å; Y1566-L1641 HydrophobicContact CD1-CD1 4.15Å; Y1566-L1641 HydrophobicContact CD2-CD1 4.42Å; Y1566-L1641 HydrophobicContact CG-CD1 3.84Å; Y1566-N1644 HydrophobicContact CD2-CB 4.2Å; Y1566-N1644 HydrophobicContact CE2-CB 3.45Å; Y1566-N1644 VanDerWaalsContact OH-CG 3.24Å; Y1566-N1644 PolarHBondContact OH-ND2 3.05Å |
| 1567 | L | 83.8 | Confident | 85.5 | Confident | 38.6 Ų | 38.6 | 30.6 Ų | 30.6 | 20% | 0.202 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -79.7 | -8.6 | -179.5 | -60.9 | 174.3 | 0 | 0 | 0 | 112.7 | K1517 L1563 I1569 | K1517-L1567 PolarHBondContact NZ-O 3.31Å; L1563-L1567 HydrophobicContact CB-CD1 4.44Å; L1563-L1567 HydrophobicContact CD1-CD1 3.66Å; L1563-L1567 HydrophobicContact CD1-CG 4.1Å; L1563-L1567 HydrophobicContact CD2-CD1 3.87Å; L1563-L1567 HydrophobicContact CG-CD1 3.85Å; L1563-L1567 HydrophobicContact CG-CG 4.46Å; L1563-L1567 VanDerWaalsContact O-CB 3.25Å; L1563-L1567 WeakPolarHBondContact O-CB 3.3Å; L1563-L1567 VanDerWaalsContact O-CG 3.28Å; L1563-L1567 WeakPolarHBondContact O-CG 3.45Å; L1563-L1567 PolarHBondContact O-N 3.27Å; L1563-L1567 VanDerWaalsContact O-N 3.12Å; L1567-I1569 VanDerWaalsContact C-N 3.31Å; L1567-I1569 HydrophobicContact CB-CB 4.4Å; L1567-I1569 HydrophobicContact CB-CD1 3.62Å; L1567-I1569 HydrophobicContact CB-CG1 3.84Å; L1567-I1569 HydrophobicContact CB-CG2 4.08Å; L1567-I1569 HydrophobicContact CD1-CD1 3.63Å; L1567-I1569 VanDerWaalsContact CD1-CD1 3.45Å; L1567-I1569 HydrophobicContact CD1-CG1 4.49Å; L1567-I1569 HydrophobicContact CG-CD1 4.26Å; L1567-I1569 WeakPolarHBondContact O-CG2 3.48Å; L1567-I1569 PolarHBondContact O-N 3.16Å |
| 1568 | Q | 86.6 | Confident | 85 | Confident | 132.2 Ų | 132.2 | 31.4 Ų | 31.4 | 62% | 0.618 | 15% | 0.15 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53.6 | 50.6 | -174.7 | -58.5 | -111.1 | -15.5 | 0 | 0 | 110.8 | K1517 I1564 D1565 Y1566 | K1517-Q1568 WeakPolarHBondContact CD-O 3.23Å; K1517-Q1568 WeakPolarHBondContact CE-O 3.4Å; K1517-Q1568 PolarHBondContact NZ-O 3.22Å; K1517-Q1568 VanDerWaalsContact NZ-O 3.07Å; I1564-Q1568 VanDerWaalsContact O-CA 3.27Å; I1564-Q1568 WeakPolarHBondContact O-CA 3.22Å; I1564-Q1568 PolarHBondContact O-N 3.22Å; I1564-Q1568 VanDerWaalsContact O-N 3.11Å; D1565-Q1568 VanDerWaalsContact O-CD 3.28Å; D1565-Q1568 PolarHBondContact O-N 3.04Å; D1565-Q1568 PolarHBondContact O-NE2 3.18Å; Y1566-Q1568 VanDerWaalsContact C-N 3.28Å; Y1566-Q1568 PolarHBondContact O-N 3.27Å |
| 1569 | I | 89.8 | Confident | 83.8 | Confident | 1.8 Ų | 1.8 | 32.3 Ų | 32.3 | 1% | 0.009 | 15% | 0.153 | C | C | . | . | trans | -118.1 | 175.7 | 179.4 | 49.6 | -172.4 | 0 | 0 | 0 | 109.5 | K1517 L1518 L1519 I1564 L1567 Q1631 | K1517-I1569 HydrophobicContact CD-CG1 3.97Å; K1517-I1569 HydrophobicContact CD-CG2 4.01Å; K1517-I1569 CarbonylContact O-C 3.53Å; K1517-I1569 WeakPolarHBondContact O-CA 3.32Å; K1517-I1569 VanDerWaalsContact O-CB 3.32Å; K1517-I1569 WeakPolarHBondContact O-CB 3.41Å; K1517-I1569 WeakPolarHBondContact O-CG2 3.43Å; L1518-I1569 VanDerWaalsContact C-CG2 3.47Å; L1519-I1569 HydrophobicContact CB-CD1 3.64Å; L1519-I1569 HydrophobicContact CB-CG1 4.08Å; L1519-I1569 HydrophobicContact CB-CG2 3.54Å; L1519-I1569 HydrophobicContact CD1-CD1 4.07Å; L1519-I1569 HydrophobicContact CD2-CD1 4.07Å; L1519-I1569 HydrophobicContact CG-CD1 4.13Å; I1564-I1569 HydrophobicContact CG1-CG1 4.43Å; I1564-I1569 VanDerWaalsContact CG2-O 3.25Å; I1564-I1569 WeakPolarHBondContact CG2-O 3.37Å; I1564-I1569 PolarHBondContact O-N 3.22Å; I1564-I1569 VanDerWaalsContact O-N 3.13Å; L1567-I1569 VanDerWaalsContact C-N 3.31Å; L1567-I1569 HydrophobicContact CB-CB 4.4Å; L1567-I1569 HydrophobicContact CB-CD1 3.62Å; L1567-I1569 HydrophobicContact CB-CG1 3.84Å; L1567-I1569 HydrophobicContact CB-CG2 4.08Å; L1567-I1569 HydrophobicContact CD1-CD1 3.63Å; L1567-I1569 VanDerWaalsContact CD1-CD1 3.45Å; L1567-I1569 HydrophobicContact CD1-CG1 4.49Å; L1567-I1569 HydrophobicContact CG-CD1 4.26Å; L1567-I1569 WeakPolarHBondContact O-CG2 3.48Å; L1567-I1569 PolarHBondContact O-N 3.16Å; I1569-Q1631 HydrophobicContact CD1-CG 4.4Å | ||
| 1570 | Y | 91.5 | Very high | 82.3 | Confident | 38.2 Ų | 38.2 | 33.3 Ų | 33.3 | 15% | 0.15 | 16% | 0.161 | C | C | . | . | B | Isolated β-bridge | trans | -127.6 | 153.9 | -176.1 | -63.9 | -100.4 | 0 | 0 | 0 | 109.6 | I1497 Q1498 K1511 V1513 K1517 L1518 L1519 | I1497-Y1570 CarbonylContact O-C 3.53Å; I1497-Y1570 VanDerWaalsContact O-CA 3.32Å; I1497-Y1570 WeakPolarHBondContact O-CA 3.31Å; I1497-Y1570 WeakPolarHBondContact O-CB 3.47Å; Q1498-Y1570 HydrophobicContact CG-CD1 3.66Å; Q1498-Y1570 HydrophobicContact CG-CE1 3.58Å; K1511-Y1570 HydrophobicContact CB-CE1 4.39Å; K1511-Y1570 HydrophobicContact CD-CE1 4.16Å; K1511-Y1570 PolarHBondContact NZ-OH 3.3Å; V1513-Y1570 HydrophobicContact CB-CD2 4.39Å; V1513-Y1570 HydrophobicContact CG1-CD1 4.41Å; V1513-Y1570 HydrophobicContact CG1-CD2 3.72Å; V1513-Y1570 HydrophobicContact CG1-CE1 4.45Å; V1513-Y1570 HydrophobicContact CG1-CE2 3.81Å; V1513-Y1570 HydrophobicContact CG1-CG 4.19Å; V1513-Y1570 HydrophobicContact CG2-CD2 4.4Å; K1517-Y1570 PolarHBondContact O-N 3.3Å; L1518-Y1570 CarbonylContact C-O 3.57Å; L1518-Y1570 VanDerWaalsContact CA-O 3.26Å; L1518-Y1570 WeakPolarHBondContact CA-O 3.37Å; L1519-Y1570 PolarHBondContact N-O 2.92Å |
| 1571 | E | 89.9 | Confident | 80.6 | Confident | 13.8 Ų | 13.8 | 35.9 Ų | 35.9 | 6% | 0.064 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 149.8 | 167.6 | 107.1 | -179.2 | 171.5 | 0 | 0 | 110 | G1496 I1497 R1499 I1564 H1573 | G1496-E1571 CarbonylContact C-O 3.5Å; G1496-E1571 VanDerWaalsContact CA-O 3.28Å; G1496-E1571 WeakPolarHBondContact CA-O 3.4Å; I1497-E1571 HydrophobicContact CD1-CG 4.16Å; I1497-E1571 HydrophobicContact CG1-CB 4.17Å; I1497-E1571 HydrophobicContact CG1-CG 3.54Å; I1497-E1571 VanDerWaalsContact CG1-CG 3.5Å; I1497-E1571 VanDerWaalsContact CG1-O 3.28Å; I1497-E1571 WeakPolarHBondContact CG1-O 3.34Å; I1497-E1571 PolarHBondContact N-O 3.35Å; I1497-E1571 PolarHBondContact O-N 3.22Å; R1499-E1571 WeakPolarHBondContact CG-OE1 3.43Å; R1499-E1571 IonicContact CZ-OE1 3.15Å; R1499-E1571 IonicContact CZ-OE2 3.42Å; R1499-E1571 VanDerWaalsContact CZ-OE2 3.26Å; R1499-E1571 VanDerWaalsContact NE-CD 3.31Å; R1499-E1571 IonicContact NE-OE1 3.11Å; R1499-E1571 PolarHBondContact NE-OE1 3.13Å; R1499-E1571 VanDerWaalsContact NE-OE1 3.09Å; R1499-E1571 IonicContact NE-OE2 3.14Å; R1499-E1571 PolarHBondContact NE-OE2 3.05Å; R1499-E1571 VanDerWaalsContact NH2-CD 3.31Å; R1499-E1571 IonicContact NH2-OE1 3.21Å; R1499-E1571 PolarHBondContact NH2-OE1 2.95Å; R1499-E1571 IonicContact NH2-OE2 3.62Å; R1499-E1571 PolarHBondContact NH2-OE2 3.08Å; R1499-E1571 VanDerWaalsContact NH2-OE2 3.09Å; I1564-E1571 HydrophobicContact CD1-CB 4.06Å; I1564-E1571 HydrophobicContact CD1-CG 4.2Å; E1571-H1573 PolarHBondContact O-N 3.34Å |
| 1572 | P | 90.2 | Very high | 78.7 | Confident | 8.2 Ų | 8.2 | 38.4 Ų | 38.4 | 5% | 0.053 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -57.1 | 139.3 | 174 | -15 | 20.7 | 0 | 0 | 0 | 112.1 | L1518 L1519 V1520 L1525 L1576 L1577 L1625 | L1518-P1572 HydrophobicContact CD2-CB 4.34Å; L1519-P1572 VanDerWaalsContact O-CD 3.26Å; L1519-P1572 WeakPolarHBondContact O-CD 3.36Å; V1520-P1572 HydrophobicContact CG2-CG 3.96Å; L1525-P1572 HydrophobicContact CD1-CG 4.41Å; P1572-L1576 HydrophobicContact CB-CD2 4.12Å; P1572-L1577 HydrophobicContact CB-CD1 4.24Å; P1572-L1577 HydrophobicContact CB-CG 4.29Å; P1572-L1577 HydrophobicContact CG-CD1 4.32Å; P1572-L1625 HydrophobicContact CB-CD1 4.41Å; P1572-L1625 HydrophobicContact CG-CD1 4.09Å |
| 1573 | H | 89.9 | Confident | 76.9 | Confident | 6.6 Ų | 6.6 | 38.8 Ų | 38.8 | 3% | 0.031 | 19% | 0.194 | C | C | . | . | P | Polyproline II helix | trans | -58.5 | 139.2 | 170.7 | -170.3 | -86.1 | 0 | 0 | 0 | 110.7 | I1423 P1495 I1497 E1571 E1575 L1576 | I1423-H1573 HydrophobicContact CD1-CB 4.39Å; I1423-H1573 WeakPolarHBondContact CD1-ND1 3.3Å; I1423-H1573 HydrophobicContact CG2-CB 4.3Å; P1495-H1573 HydrophobicContact CB-CB 3.87Å; P1495-H1573 HydrophobicContact CG-CB 4.16Å; P1495-H1573 WeakPolarHBondContact O-CB 3.47Å; P1495-H1573 PolarHBondContact O-N 3.07Å; I1497-H1573 HydrophobicContact CG2-CB 4.39Å; E1571-H1573 PolarHBondContact O-N 3.34Å; H1573-E1575 IonicContact CE1-OE1 3.39Å; H1573-E1575 PolarHBondContact CE1-OE1 3.44Å; H1573-E1575 IonicContact CE1-OE2 3.98Å; H1573-E1575 PolarHBondContact ND1-N 3.2Å; H1573-E1575 PolarHBondContact O-N 3.13Å; H1573-L1576 HydrophobicContact CB-CB 4.48Å; H1573-L1576 WeakPolarHBondContact O-CA 3.4Å; H1573-L1576 WeakPolarHBondContact O-CB 3.3Å; H1573-L1576 PolarHBondContact O-N 3.25Å |
| 1574 | P | 82.5 | Confident | 74.9 | Confident | 26.6 Ų | 26.6 | 43.1 Ų | 43.1 | 17% | 0.173 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -57.7 | -42.7 | -174.4 | 0.4 | -6.2 | 0 | 0 | 0 | 114.3 | L1576 L1577 I1578 | P1574-L1576 PolarHBondContact O-N 3Å; P1574-L1576 VanDerWaalsContact O-N 3.11Å; P1574-L1577 PolarHBondContact O-N 3.01Å; P1574-L1577 VanDerWaalsContact O-N 3.09Å; P1574-I1578 HydrophobicContact CB-CD1 4.14Å; P1574-I1578 WeakPolarHBondContact O-CB 3.32Å; P1574-I1578 WeakPolarHBondContact O-CG1 3.26Å; P1574-I1578 PolarHBondContact O-N 2.96Å; P1574-I1578 VanDerWaalsContact O-N 3.09Å |
| 1575 | E | 83.7 | Confident | 72.7 | Confident | 67.8 Ų | 67.8 | 52 Ų | 52 | 32% | 0.317 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -61.2 | -16.3 | 174.5 | -67.9 | 175.9 | -154.7 | 0 | 0 | 114 | T1421 I1423 E1424 H1573 L1577 | T1421-E1575 WeakPolarHBondContact CB-OE2 3.41Å; T1421-E1575 WeakPolarHBondContact CG2-OE2 3.34Å; T1421-E1575 PolarHBondContact OG1-OE2 3.02Å; I1423-E1575 HydrophobicContact CB-CB 4.15Å; I1423-E1575 HydrophobicContact CG2-CB 3.67Å; E1424-E1575 HydrophobicContact CG-CB 4.26Å; E1424-E1575 HydrophobicContact CG-CG 4.48Å; H1573-E1575 IonicContact CE1-OE1 3.39Å; H1573-E1575 PolarHBondContact CE1-OE1 3.44Å; H1573-E1575 IonicContact CE1-OE2 3.98Å; H1573-E1575 PolarHBondContact ND1-N 3.2Å; H1573-E1575 PolarHBondContact O-N 3.13Å; E1575-L1577 VanDerWaalsContact C-N 3.29Å |
| 1576 | L | 87 | Confident | 70.5 | Confident | 0.2 Ų | 0.2 | 52.6 Ų | 52.6 | 0% | 0.001 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -71.2 | -30.1 | 175.8 | -164.1 | 68.3 | 0 | 0 | 0 | 111.3 | I1423 I1426 I1430 P1495 P1572 H1573 P1574 R1621 L1625 | I1423-L1576 HydrophobicContact CG2-CB 4.18Å; I1423-L1576 HydrophobicContact CG2-CD1 4.27Å; I1426-L1576 HydrophobicContact CB-CD1 4.18Å; I1426-L1576 HydrophobicContact CG2-CD1 3.61Å; I1430-L1576 HydrophobicContact CD1-CD1 3.59Å; I1430-L1576 HydrophobicContact CD1-CD2 3.99Å; I1430-L1576 HydrophobicContact CD1-CG 3.85Å; P1495-L1576 HydrophobicContact CG-CB 4.39Å; P1495-L1576 HydrophobicContact CG-CD1 3.97Å; P1495-L1576 HydrophobicContact CG-CD2 4.26Å; P1495-L1576 HydrophobicContact CG-CG 4.42Å; P1572-L1576 HydrophobicContact CB-CD2 4.12Å; H1573-L1576 HydrophobicContact CB-CB 4.48Å; H1573-L1576 WeakPolarHBondContact O-CA 3.4Å; H1573-L1576 WeakPolarHBondContact O-CB 3.3Å; H1573-L1576 PolarHBondContact O-N 3.25Å; P1574-L1576 PolarHBondContact O-N 3Å; P1574-L1576 VanDerWaalsContact O-N 3.11Å; L1576-R1621 VanDerWaalsContact O-CD 3.3Å; L1576-R1621 WeakPolarHBondContact O-CD 3.4Å; L1576-R1621 PolarHBondContact O-NH1 3.2Å; L1576-R1621 VanDerWaalsContact O-NH1 3.16Å; L1576-L1625 HydrophobicContact CD2-CD1 4.32Å; L1576-L1625 HydrophobicContact CD2-CD2 4.32Å |
| 1577 | L | 79.9 | Confident | 68.6 | Low | 20.4 Ų | 20.4 | 52.3 Ų | 52.3 | 11% | 0.107 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -100.1 | -53 | -179 | -60 | -179.5 | 0 | 0 | 0 | 110.4 | L1525 P1572 P1574 E1575 F1579 D1618 R1621 I1622 L1625 | L1525-L1577 HydrophobicContact CB-CD1 3.97Å; L1525-L1577 HydrophobicContact CD1-CD1 3.88Å; L1525-L1577 HydrophobicContact CD2-CD1 4.28Å; L1525-L1577 HydrophobicContact CG-CD1 4.26Å; P1572-L1577 HydrophobicContact CB-CD1 4.24Å; P1572-L1577 HydrophobicContact CB-CG 4.29Å; P1572-L1577 HydrophobicContact CG-CD1 4.32Å; P1574-L1577 PolarHBondContact O-N 3.01Å; P1574-L1577 VanDerWaalsContact O-N 3.09Å; E1575-L1577 VanDerWaalsContact C-N 3.29Å; L1577-F1579 PolarHBondContact O-N 3.27Å; L1577-D1618 VanDerWaalsContact C-OD1 3.25Å; L1577-D1618 WeakPolarHBondContact CB-OD1 3.29Å; L1577-R1621 HydrophobicContact CD2-CB 4.02Å; L1577-R1621 WeakPolarHBondContact O-CD 3.4Å; L1577-R1621 PolarHBondContact O-NH1 3.02Å; L1577-I1622 HydrophobicContact CD1-CG1 4.41Å; L1577-I1622 HydrophobicContact CD2-CG1 4.03Å; L1577-L1625 HydrophobicContact CD2-CD1 4.01Å |
| 1578 | I | 66.8 | Low | 66.3 | Low | 52.2 Ų | 52.2 | 55.2 Ų | 55.2 | 27% | 0.268 | 27% | 0.271 | S | S | . | . | trans | -66.9 | 136.4 | -176.6 | -58.6 | 170.9 | 0 | 0 | 0 | 110.6 | P1574 S1580 R1621 | P1574-I1578 HydrophobicContact CB-CD1 4.14Å; P1574-I1578 WeakPolarHBondContact O-CB 3.32Å; P1574-I1578 WeakPolarHBondContact O-CG1 3.26Å; P1574-I1578 PolarHBondContact O-N 2.96Å; P1574-I1578 VanDerWaalsContact O-N 3.09Å; I1578-S1580 PolarHBondContact O-N 3.11Å; I1578-R1621 PolarHBondContact O-NH1 2.97Å | ||
| 1579 | F | 58.6 | Low | 64 | Low | 34.2 Ų | 34.2 | 56.3 Ų | 56.3 | 15% | 0.15 | 27% | 0.274 | C | S | . | . | trans | -98.6 | 113.1 | 168.1 | -161.2 | -108.4 | 0 | 0 | 0 | 109.2 | Y1420 L1577 S1581 H1583 R1584 I1617 | Y1420-F1579 AromaticContact CE1-CE2 3.88Å; Y1420-F1579 HydrophobicContact CE1-CE2 4.06Å; Y1420-F1579 HydrophobicContact CE1-CZ 4.48Å; L1577-F1579 PolarHBondContact O-N 3.27Å; F1579-S1581 PolarHBondContact O-N 2.94Å; F1579-H1583 HydrophobicContact CD1-CB 4.25Å; F1579-H1583 HydrophobicContact CE1-CB 3.44Å; F1579-H1583 VanDerWaalsContact CE1-CB 3.49Å; F1579-H1583 AromaticContact CE1-CD2 3.77Å; F1579-H1583 AromaticContact CE1-CG 3.82Å; F1579-H1583 HydrophobicContact CE2-CB 4.44Å; F1579-H1583 AromaticContact CE2-CD2 3.61Å; F1579-H1583 HydrophobicContact CZ-CB 3.8Å; F1579-H1583 VanDerWaalsContact CZ-CB 3.48Å; F1579-H1583 AromaticContact CZ-CD2 3.65Å; F1579-H1583 VanDerWaalsContact CZ-CD2 3.49Å; F1579-H1583 WeakPolarHBondContact CZ-CD2 3.47Å; F1579-H1583 AromaticContact CZ-CG 3.72Å; F1579-R1584 PolarHBondContact O-NH2 2.86Å; F1579-I1617 HydrophobicContact CB-CD1 4Å; F1579-I1617 HydrophobicContact CB-CG2 4.43Å; F1579-I1617 HydrophobicContact CD1-CD1 4.33Å; F1579-I1617 HydrophobicContact CD2-CD1 4.25Å; F1579-I1617 HydrophobicContact CG-CD1 4.19Å | ||
| 1580 | S | 52.3 | Low | 61.5 | Low | 26.6 Ų | 26.6 | 60.7 Ų | 60.7 | 19% | 0.186 | 31% | 0.305 | C | S | . | . | trans | -60.5 | 142 | -173.9 | 25.5 | 0 | 0 | 0 | 0 | 112.2 | E1424 I1578 H1582 H1583 | E1424-S1580 WeakPolarHBondContact OE1-CB 3.36Å; E1424-S1580 PolarHBondContact OE1-OG 3.36Å; I1578-S1580 PolarHBondContact O-N 3.11Å; S1580-H1582 PolarHBondContact O-N 2.99Å; S1580-H1582 PolarHBondContact OG-CD2 3.12Å; S1580-H1583 PolarHBondContact O-N 3.09Å; S1580-H1583 VanDerWaalsContact O-N 3.16Å | ||
| 1581 | S | 46.7 | Very low | 59 | Low | 63 Ų | 63 | 64.6 Ų | 64.6 | 44% | 0.441 | 33% | 0.327 | S | S | . | . | G | 310 helix | trans | -59.3 | -13.8 | -179.7 | 57 | 0 | 0 | 0 | 0 | 114.1 | F1579 H1583 R1584 R1585 | F1579-S1581 PolarHBondContact O-N 2.94Å; S1581-H1583 VanDerWaalsContact C-N 3.32Å; S1581-H1583 PolarHBondContact O-N 2.97Å; S1581-R1584 WeakPolarHBondContact O-CA 3.01Å; S1581-R1584 WeakPolarHBondContact O-CB 3.24Å; S1581-R1584 VanDerWaalsContact O-CG 3.26Å; S1581-R1584 WeakPolarHBondContact O-CG 3.26Å; S1581-R1584 PolarHBondContact O-N 3.15Å; S1581-R1584 VanDerWaalsContact O-N 3.07Å; S1581-R1585 PolarHBondContact O-N 3.12Å |
| 1582 | H | 45.9 | Very low | 56.3 | Low | 90.8 Ų | 90.8 | 72.2 Ų | 72.2 | 42% | 0.42 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -60.1 | -39.8 | 178.2 | -64 | -64.6 | 0 | 0 | 0 | 112.7 | V1407 S1580 R1584 R1585 | V1407-H1582 HydrophobicContact CG1-CB 4.34Å; S1580-H1582 PolarHBondContact O-N 2.99Å; S1580-H1582 PolarHBondContact OG-CD2 3.12Å; H1582-R1584 VanDerWaalsContact C-N 3.29Å; H1582-R1584 PolarHBondContact O-N 3.3Å; H1582-R1585 PolarHBondContact O-N 3.09Å |
| 1583 | H | 48.3 | Very low | 53.8 | Low | 28 Ų | 28 | 75.8 Ų | 75.8 | 13% | 0.13 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -70.8 | -22.6 | 176.3 | -75.5 | -69.3 | 0 | 0 | 0 | 113.5 | G1419 Y1420 F1579 S1580 S1581 R1585 L1586 S1587 | G1419-H1583 PolarHBondContact O-CE1 3.15Å; G1419-H1583 PolarHBondContact O-NE2 3.01Å; Y1420-H1583 AromaticContact CD1-NE2 3.76Å; Y1420-H1583 AromaticContact CD2-CE1 3.39Å; Y1420-H1583 VanDerWaalsContact CD2-CE1 3.42Å; Y1420-H1583 WeakPolarHBondContact CD2-CE1 3.2Å; Y1420-H1583 AromaticContact CD2-NE2 3.7Å; Y1420-H1583 AromaticContact CE1-CE1 3.76Å; Y1420-H1583 AromaticContact CE1-NE2 3.74Å; Y1420-H1583 WeakPolarHBondContact CE1-NE2 3.47Å; Y1420-H1583 AromaticContact CE2-CE1 3.44Å; Y1420-H1583 VanDerWaalsContact CE2-CE1 3.45Å; Y1420-H1583 WeakPolarHBondContact CE2-CE1 3.34Å; Y1420-H1583 AromaticContact CE2-NE2 3.63Å; Y1420-H1583 WeakPolarHBondContact CE2-NE2 3.09Å; Y1420-H1583 AromaticContact CG-CE1 3.94Å; Y1420-H1583 AromaticContact CG-NE2 3.68Å; Y1420-H1583 AromaticContact CZ-CE1 3.74Å; Y1420-H1583 VanDerWaalsContact CZ-CE1 3.41Å; Y1420-H1583 AromaticContact CZ-NE2 3.74Å; F1579-H1583 HydrophobicContact CD1-CB 4.25Å; F1579-H1583 HydrophobicContact CE1-CB 3.44Å; F1579-H1583 VanDerWaalsContact CE1-CB 3.49Å; F1579-H1583 AromaticContact CE1-CD2 3.77Å; F1579-H1583 AromaticContact CE1-CG 3.82Å; F1579-H1583 HydrophobicContact CE2-CB 4.44Å; F1579-H1583 AromaticContact CE2-CD2 3.61Å; F1579-H1583 HydrophobicContact CZ-CB 3.8Å; F1579-H1583 VanDerWaalsContact CZ-CB 3.48Å; F1579-H1583 AromaticContact CZ-CD2 3.65Å; F1579-H1583 VanDerWaalsContact CZ-CD2 3.49Å; F1579-H1583 WeakPolarHBondContact CZ-CD2 3.47Å; F1579-H1583 AromaticContact CZ-CG 3.72Å; S1580-H1583 PolarHBondContact O-N 3.09Å; S1580-H1583 VanDerWaalsContact O-N 3.16Å; S1581-H1583 VanDerWaalsContact C-N 3.32Å; S1581-H1583 PolarHBondContact O-N 2.97Å; H1583-R1585 VanDerWaalsContact C-N 3.26Å; H1583-R1585 PolarHBondContact O-N 3.07Å; H1583-R1585 VanDerWaalsContact O-N 3.15Å; H1583-L1586 WeakPolarHBondContact O-CB 3.42Å; H1583-L1586 PolarHBondContact O-N 3.15Å; H1583-S1587 PolarHBondContact O-N 3.34Å |
| 1584 | R | 44.4 | Very low | 51.4 | Low | 91.8 Ų | 91.8 | 83.8 Ų | 83.8 | 35% | 0.346 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -59.8 | -32 | 175.2 | -99.7 | 179 | -103.9 | -179.6 | 3.8 | 111.9 | F1579 S1581 H1582 L1586 S1587 M1588 Y1610 D1614 | F1579-R1584 PolarHBondContact O-NH2 2.86Å; S1581-R1584 WeakPolarHBondContact O-CA 3.01Å; S1581-R1584 WeakPolarHBondContact O-CB 3.24Å; S1581-R1584 VanDerWaalsContact O-CG 3.26Å; S1581-R1584 WeakPolarHBondContact O-CG 3.26Å; S1581-R1584 PolarHBondContact O-N 3.15Å; S1581-R1584 VanDerWaalsContact O-N 3.07Å; H1582-R1584 VanDerWaalsContact C-N 3.29Å; H1582-R1584 PolarHBondContact O-N 3.3Å; R1584-L1586 VanDerWaalsContact C-N 3.34Å; R1584-L1586 PolarHBondContact O-N 3.33Å; R1584-S1587 PolarHBondContact O-N 2.82Å; R1584-M1588 PolarHBondContact O-N 3.21Å; R1584-M1588 VanDerWaalsContact O-N 3.08Å; R1584-Y1610 HydrophobicContact CG-CD1 4.45Å; R1584-Y1610 HydrophobicContact CG-CE1 4.45Å; R1584-Y1610 VanDerWaalsContact NH1-CG 3.32Å; R1584-D1614 IonicContact CZ-OD1 2.67Å; R1584-D1614 IonicContact CZ-OD2 3.57Å; R1584-D1614 IonicContact NH2-OD1 3.51Å; R1584-D1614 PolarHBondContact NH2-OD1 2.95Å; R1584-D1614 IonicContact NH2-OD2 3.3Å; R1584-D1614 PolarHBondContact NH2-OD2 3.06Å |
| 1585 | R | 39.5 | Very low | 49.4 | Very low | 189 Ų | 189 | 89.2 Ų | 89.2 | 71% | 0.713 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -75 | -26.1 | 178.1 | -87.3 | -173.2 | -140.5 | -173.5 | 0.3 | 113.8 | S1581 H1582 H1583 M1588 K1589 | S1581-R1585 PolarHBondContact O-N 3.12Å; H1582-R1585 PolarHBondContact O-N 3.09Å; H1583-R1585 VanDerWaalsContact C-N 3.26Å; H1583-R1585 PolarHBondContact O-N 3.07Å; H1583-R1585 VanDerWaalsContact O-N 3.15Å; R1585-M1588 PolarHBondContact O-N 2.98Å; R1585-K1589 PolarHBondContact O-N 3.47Å |
| 1586 | L | 40.1 | Very low | 47.4 | Very low | 83.8 Ų | 83.8 | 89.9 Ų | 89.9 | 44% | 0.439 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -73.9 | -39.7 | 177.2 | -73.4 | 166.9 | 0 | 0 | 0 | 111.7 | S1411 H1583 R1584 M1588 | S1411-L1586 VanDerWaalsContact CB-CD2 3.45Å; S1411-L1586 WeakPolarHBondContact OG-CD2 3.4Å; H1583-L1586 WeakPolarHBondContact O-CB 3.42Å; H1583-L1586 PolarHBondContact O-N 3.15Å; R1584-L1586 VanDerWaalsContact C-N 3.34Å; R1584-L1586 PolarHBondContact O-N 3.33Å; L1586-M1588 VanDerWaalsContact C-N 3.29Å; L1586-M1588 PolarHBondContact O-N 3.25Å |
| 1587 | S | 42.5 | Very low | 45.1 | Very low | 84.6 Ų | 84.6 | 96.5 Ų | 96.5 | 59% | 0.592 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -69 | -27.8 | 175.9 | 178.1 | 0 | 0 | 0 | 0 | 113.1 | H1583 R1584 K1589 S1590 | H1583-S1587 PolarHBondContact O-N 3.34Å; R1584-S1587 PolarHBondContact O-N 2.82Å; S1587-K1589 VanDerWaalsContact C-N 3.32Å; S1587-K1589 PolarHBondContact O-N 3.03Å; S1587-S1590 PolarHBondContact O-N 2.95Å |
| 1588 | M | 36.7 | Very low | 43.6 | Very low | 98.6 Ų | 98.6 | 103.6 Ų | 103.6 | 49% | 0.486 | 52% | 0.517 | S | S | . | . | G | 310 helix | trans | -79.4 | -13.5 | -175.9 | -92 | -146.3 | 162.6 | 0 | 0 | 115.2 | R1584 R1585 L1586 S1590 I1591 I1593 I1606 Y1610 | R1584-M1588 PolarHBondContact O-N 3.21Å; R1584-M1588 VanDerWaalsContact O-N 3.08Å; R1585-M1588 PolarHBondContact O-N 2.98Å; L1586-M1588 VanDerWaalsContact C-N 3.29Å; L1586-M1588 PolarHBondContact O-N 3.25Å; M1588-S1590 VanDerWaalsContact C-N 3.29Å; M1588-S1590 PolarHBondContact O-N 2.94Å; M1588-I1591 PolarHBondContact O-N 2.84Å; M1588-I1593 HydrophobicContact CB-CD1 3.87Å; M1588-I1593 HydrophobicContact CG-CD1 4.19Å; M1588-I1593 VanDerWaalsContact O-CD1 3.28Å; M1588-I1593 WeakPolarHBondContact O-CD1 3.37Å; M1588-I1593 HydrophobicContact SD-CD1 4.28Å; M1588-I1606 HydrophobicContact CE-CG2 4.13Å; M1588-Y1610 HydrophobicContact CE-CE2 4.28Å; M1588-Y1610 WeakPolarHBondContact CE-OH 3.36Å |
| 1589 | K | 37.8 | Very low | 42.6 | Very low | 157 Ų | 157 | 108.3 Ų | 108.3 | 68% | 0.683 | 54% | 0.542 | S | S | * | . | G | 310 helix | trans | -78.7 | 3.8 | -176.3 | -104.5 | -179.4 | 179.1 | 177.6 | 0 | 114.7 | S1411 R1585 S1587 I1591 | S1411-K1589 PolarHBondContact O-NZ 2.73Å; S1411-K1589 PolarHBondContact OG-NZ 3.02Å; R1585-K1589 PolarHBondContact O-N 3.47Å; S1587-K1589 VanDerWaalsContact C-N 3.32Å; S1587-K1589 PolarHBondContact O-N 3.03Å; K1589-I1591 PolarHBondContact O-N 2.87Å |
| 1590 | S | 38 | Very low | 41.7 | Very low | 93.6 Ų | 93.6 | 112.1 Ų | 112.1 | 66% | 0.655 | 56% | 0.562 | S | S | * | * | G | 310 helix | trans | -110.2 | 12.3 | -178.4 | -41.5 | 0 | 0 | 0 | 0 | 114.7 | S1587 M1588 | S1587-S1590 PolarHBondContact O-N 2.95Å; M1588-S1590 VanDerWaalsContact C-N 3.29Å; M1588-S1590 PolarHBondContact O-N 2.94Å |
| 1591 | I | 38.1 | Very low | 41.4 | Very low | 119.2 Ų | 119.2 | 117.4 Ų | 117.4 | 61% | 0.611 | 59% | 0.594 | S | S | * | * | S | Bend | trans | -124.2 | 124.9 | 172.2 | -59.1 | 175.5 | 0 | 0 | 0 | 107.5 | M1588 K1589 I1593 | M1588-I1591 PolarHBondContact O-N 2.84Å; K1589-I1591 PolarHBondContact O-N 2.87Å; I1591-I1593 VanDerWaalsContact C-N 3.26Å; I1591-I1593 WeakPolarHBondContact O-CG1 3.32Å; I1591-I1593 PolarHBondContact O-N 3.12Å |
| 1592 | E | 34.2 | Very low | 41.4 | Very low | 173.8 Ų | 173.8 | 118.1 Ų | 118.1 | 81% | 0.812 | 59% | 0.593 | S | S | * | * | trans | -63.9 | 100.7 | 175.4 | -67.9 | 173.6 | 153.9 | 0 | 0 | 109.6 | E1594 | E1592-E1594 VanDerWaalsContact C-N 3.27Å; E1592-E1594 PolarHBondContact O-N 3.08Å | ||
| 1593 | I | 37.7 | Very low | 41.5 | Very low | 83 Ų | 83 | 118.6 Ų | 118.6 | 43% | 0.426 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -72.5 | -10.6 | -172.9 | -75.3 | 173.9 | 0 | 0 | 0 | 112.7 | M1588 I1591 D1595 T1596 M1597 | M1588-I1593 HydrophobicContact CB-CD1 3.87Å; M1588-I1593 HydrophobicContact CG-CD1 4.19Å; M1588-I1593 VanDerWaalsContact O-CD1 3.28Å; M1588-I1593 WeakPolarHBondContact O-CD1 3.37Å; M1588-I1593 HydrophobicContact SD-CD1 4.28Å; I1591-I1593 VanDerWaalsContact C-N 3.26Å; I1591-I1593 WeakPolarHBondContact O-CG1 3.32Å; I1591-I1593 PolarHBondContact O-N 3.12Å; I1593-D1595 VanDerWaalsContact C-N 3.3Å; I1593-D1595 PolarHBondContact O-N 3.03Å; I1593-T1596 PolarHBondContact O-N 2.8Å; I1593-T1596 PolarHBondContact O-OG1 3.44Å; I1593-M1597 HydrophobicContact CG2-CE 3.95Å; I1593-M1597 HydrophobicContact CG2-CG 3.76Å; I1593-M1597 HydrophobicContact CG2-SD 3.89Å; I1593-M1597 VanDerWaalsContact CG2-SD 3.55Å; I1593-M1597 WeakPolarHBondContact O-CB 3.3Å; I1593-M1597 WeakPolarHBondContact O-CG 3.39Å; I1593-M1597 PolarHBondContact O-N 2.96Å |
| 1594 | E | 38.6 | Very low | 41.5 | Very low | 175.4 Ų | 175.4 | 122.3 Ų | 122.3 | 82% | 0.82 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -71.1 | -29 | -176 | -71.5 | -162.8 | 148 | 0 | 0 | 114.4 | E1592 K1598 | E1592-E1594 VanDerWaalsContact C-N 3.27Å; E1592-E1594 PolarHBondContact O-N 3.08Å; E1594-K1598 PolarHBondContact O-NZ 3.2Å |
| 1595 | D | 41.1 | Very low | 41.7 | Very low | 139.6 Ų | 139.6 | 122.5 Ų | 122.5 | 75% | 0.747 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -96.3 | -19.2 | -175.7 | -83.3 | -15.9 | 0 | 0 | 0 | 114.9 | I1593 K1598 | I1593-D1595 VanDerWaalsContact C-N 3.3Å; I1593-D1595 PolarHBondContact O-N 3.03Å; D1595-K1598 IonicContact OD1-NZ 2.8Å; D1595-K1598 PolarHBondContact OD1-NZ 3.13Å |
| 1596 | T | 41.5 | Very low | 42.1 | Very low | 83.4 Ų | 83.4 | 116.7 Ų | 116.7 | 51% | 0.512 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -96.3 | -13.5 | 179.2 | 52 | 0 | 0 | 0 | 0 | 114.5 | I1593 K1598 | I1593-T1596 PolarHBondContact O-N 2.8Å; I1593-T1596 PolarHBondContact O-OG1 3.44Å; T1596-K1598 VanDerWaalsContact C-N 3.28Å; T1596-K1598 PolarHBondContact O-N 3.07Å; T1596-K1598 VanDerWaalsContact O-N 3.15Å |
| 1597 | M | 38.4 | Very low | 42.7 | Very low | 138.6 Ų | 138.6 | 116.3 Ų | 116.3 | 68% | 0.683 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.7 | -3.9 | 179.2 | -81.8 | -131 | 161.6 | 0 | 0 | 115.1 | I1593 | I1593-M1597 HydrophobicContact CG2-CE 3.95Å; I1593-M1597 HydrophobicContact CG2-CG 3.76Å; I1593-M1597 HydrophobicContact CG2-SD 3.89Å; I1593-M1597 VanDerWaalsContact CG2-SD 3.55Å; I1593-M1597 WeakPolarHBondContact O-CB 3.3Å; I1593-M1597 WeakPolarHBondContact O-CG 3.39Å; I1593-M1597 PolarHBondContact O-N 2.96Å |
| 1598 | K | 48 | Very low | 43.1 | Very low | 169.4 Ų | 169.4 | 117.2 Ų | 117.2 | 74% | 0.737 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.2 | -23 | 176.7 | -77.3 | 178.9 | -178.4 | 147.3 | 0 | 114.3 | E1594 D1595 T1596 | E1594-K1598 PolarHBondContact O-NZ 3.2Å; D1595-K1598 IonicContact OD1-NZ 2.8Å; D1595-K1598 PolarHBondContact OD1-NZ 3.13Å; T1596-K1598 VanDerWaalsContact C-N 3.28Å; T1596-K1598 PolarHBondContact O-N 3.07Å; T1596-K1598 VanDerWaalsContact O-N 3.15Å |
| 1599 | D | 46.3 | Very low | 43.8 | Very low | 150.6 Ų | 150.6 | 119.8 Ų | 119.8 | 81% | 0.805 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.7 | 1.3 | -172.6 | -76.8 | -15.4 | 0 | 0 | 0 | 115.2 | ||
| 1600 | M | 39.7 | Very low | 44.4 | Very low | 114.4 Ų | 114.4 | 116.5 Ų | 116.5 | 56% | 0.564 | 60% | 0.601 | S | S | * | * | trans | -113.1 | 89.7 | 176.2 | -76.5 | 179.6 | 72.5 | 0 | 0 | 112 | I1457 N1602 I1606 | I1457-M1600 HydrophobicContact CB-CE 4.48Å; I1457-M1600 HydrophobicContact CD1-CE 3.9Å; I1457-M1600 HydrophobicContact CG2-CE 3.85Å; I1457-M1600 HydrophobicContact CG2-SD 4.37Å; M1600-N1602 VanDerWaalsContact C-N 3.33Å; M1600-N1602 PolarHBondContact O-N 3.38Å; M1600-I1606 HydrophobicContact CE-CD1 4.47Å; M1600-I1606 HydrophobicContact CE-CG1 3.91Å | ||
| 1601 | T | 45.9 | Very low | 45.3 | Very low | 138.4 Ų | 138.4 | 117.7 Ų | 117.7 | 85% | 0.849 | 60% | 0.596 | S | S | * | * | trans | -93 | 14.3 | -178.2 | 48.8 | 0 | 0 | 0 | 0 | 115 | ||||
| 1602 | N | 46.6 | Very low | 46.1 | Very low | 78 Ų | 78 | 115 Ų | 115 | 42% | 0.417 | 59% | 0.588 | S | S | . | * | trans | -121.8 | 106.1 | 177.9 | -137.8 | 4.9 | 0 | 0 | 0 | 112.3 | M1600 D1604 D1605 I1606 | M1600-N1602 VanDerWaalsContact C-N 3.33Å; M1600-N1602 PolarHBondContact O-N 3.38Å; N1602-D1604 PolarHBondContact O-N 3.1Å; N1602-D1604 VanDerWaalsContact OD1-CB 3.32Å; N1602-D1604 WeakPolarHBondContact OD1-CB 3.17Å; N1602-D1604 PolarHBondContact OD1-N 3.38Å; N1602-D1605 HydrophobicContact CB-CB 4.23Å; N1602-D1605 WeakPolarHBondContact CB-OD2 3.33Å; N1602-D1605 PolarHBondContact ND2-OD1 2.93Å; N1602-D1605 PolarHBondContact ND2-OD2 3.36Å; N1602-D1605 PolarHBondContact O-N 3.27Å; N1602-I1606 PolarHBondContact O-N 2.94Å | ||
| 1603 | V | 48.2 | Very low | 47.3 | Very low | 101 Ų | 101 | 109.7 Ų | 109.7 | 61% | 0.612 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -65.8 | -28.4 | 175.2 | 178.3 | 0 | 0 | 0 | 0 | 110.9 | D1605 I1606 I1607 | V1603-D1605 VanDerWaalsContact C-N 3.32Å; V1603-D1605 PolarHBondContact O-N 3.08Å; V1603-I1606 WeakPolarHBondContact O-CB 3.44Å; V1603-I1606 PolarHBondContact O-N 3.11Å; V1603-I1606 VanDerWaalsContact O-N 3.14Å; V1603-I1607 HydrophobicContact CG1-CD1 4.08Å; V1603-I1607 HydrophobicContact CG1-CG1 4.46Å; V1603-I1607 WeakPolarHBondContact O-CG1 3.34Å; V1603-I1607 PolarHBondContact O-N 3.31Å; V1603-I1607 VanDerWaalsContact O-N 3.17Å |
| 1604 | D | 48.8 | Very low | 48.6 | Very low | 105.6 Ų | 105.6 | 107.7 Ų | 107.7 | 57% | 0.565 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -66.6 | -38.7 | -179.4 | -61.7 | -30.4 | 0 | 0 | 0 | 112.3 | N1602 I1606 I1607 D1608 | N1602-D1604 PolarHBondContact O-N 3.1Å; N1602-D1604 VanDerWaalsContact OD1-CB 3.32Å; N1602-D1604 WeakPolarHBondContact OD1-CB 3.17Å; N1602-D1604 PolarHBondContact OD1-N 3.38Å; D1604-I1606 VanDerWaalsContact C-N 3.27Å; D1604-I1606 PolarHBondContact O-N 3.02Å; D1604-I1606 VanDerWaalsContact O-N 3.11Å; D1604-I1607 PolarHBondContact O-N 3.38Å; D1604-I1607 VanDerWaalsContact O-N 3.14Å; D1604-D1608 PolarHBondContact O-N 3.13Å |
| 1605 | D | 48.2 | Very low | 49.9 | Very low | 95.6 Ų | 95.6 | 105.3 Ų | 105.3 | 51% | 0.511 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -63.1 | -29.4 | 176.5 | -74.1 | -35.3 | 0 | 0 | 0 | 112.2 | N1602 V1603 K1609 | N1602-D1605 HydrophobicContact CB-CB 4.23Å; N1602-D1605 WeakPolarHBondContact CB-OD2 3.33Å; N1602-D1605 PolarHBondContact ND2-OD1 2.93Å; N1602-D1605 PolarHBondContact ND2-OD2 3.36Å; N1602-D1605 PolarHBondContact O-N 3.27Å; V1603-D1605 VanDerWaalsContact C-N 3.32Å; V1603-D1605 PolarHBondContact O-N 3.08Å; D1605-K1609 WeakPolarHBondContact O-CB 3.23Å; D1605-K1609 PolarHBondContact O-N 3.24Å; D1605-K1609 VanDerWaalsContact O-N 3.08Å |
| 1606 | I | 48.2 | Very low | 51.2 | Low | 67.4 Ų | 67.4 | 101.2 Ų | 101.2 | 35% | 0.346 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -73.2 | -43.5 | 176.2 | -62.6 | 177.2 | 0 | 0 | 0 | 109.8 | M1588 M1600 N1602 V1603 D1604 D1608 K1609 Y1610 | M1588-I1606 HydrophobicContact CE-CG2 4.13Å; M1600-I1606 HydrophobicContact CE-CD1 4.47Å; M1600-I1606 HydrophobicContact CE-CG1 3.91Å; N1602-I1606 PolarHBondContact O-N 2.94Å; V1603-I1606 WeakPolarHBondContact O-CB 3.44Å; V1603-I1606 PolarHBondContact O-N 3.11Å; V1603-I1606 VanDerWaalsContact O-N 3.14Å; D1604-I1606 VanDerWaalsContact C-N 3.27Å; D1604-I1606 PolarHBondContact O-N 3.02Å; D1604-I1606 VanDerWaalsContact O-N 3.11Å; I1606-D1608 VanDerWaalsContact C-N 3.34Å; I1606-D1608 PolarHBondContact O-N 3.41Å; I1606-K1609 PolarHBondContact O-N 3.06Å; I1606-Y1610 HydrophobicContact CG2-CD2 3.74Å; I1606-Y1610 HydrophobicContact CG2-CE2 3.37Å; I1606-Y1610 WeakPolarHBondContact O-CD2 3.3Å; I1606-Y1610 PolarHBondContact O-N 3.19Å |
| 1607 | I | 51.8 | Low | 52.6 | Low | 74.4 Ų | 74.4 | 98.1 Ų | 98.1 | 38% | 0.382 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.5 | -46.6 | 178.7 | -65.9 | 170 | 0 | 0 | 0 | 110.7 | V1603 D1604 K1609 Y1610 Q1611 | V1603-I1607 HydrophobicContact CG1-CD1 4.08Å; V1603-I1607 HydrophobicContact CG1-CG1 4.46Å; V1603-I1607 WeakPolarHBondContact O-CG1 3.34Å; V1603-I1607 PolarHBondContact O-N 3.31Å; V1603-I1607 VanDerWaalsContact O-N 3.17Å; D1604-I1607 PolarHBondContact O-N 3.38Å; D1604-I1607 VanDerWaalsContact O-N 3.14Å; I1607-K1609 VanDerWaalsContact C-N 3.3Å; I1607-K1609 PolarHBondContact O-N 3.03Å; I1607-Y1610 PolarHBondContact O-N 3.16Å; I1607-Y1610 VanDerWaalsContact O-N 3.13Å; I1607-Q1611 HydrophobicContact CG2-CG 4.33Å; I1607-Q1611 VanDerWaalsContact CG2-NE2 3.26Å; I1607-Q1611 WeakPolarHBondContact O-CB 3.41Å; I1607-Q1611 WeakPolarHBondContact O-CG 3.46Å; I1607-Q1611 PolarHBondContact O-N 3.11Å |
| 1608 | D | 51.6 | Low | 54.3 | Low | 103.2 Ų | 103.2 | 92.9 Ų | 92.9 | 55% | 0.552 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -61.8 | -41.8 | 179.8 | -91.8 | 2.5 | 0 | 0 | 0 | 112.2 | D1604 I1606 Y1610 Q1611 S1612 | D1604-D1608 PolarHBondContact O-N 3.13Å; I1606-D1608 VanDerWaalsContact C-N 3.34Å; I1606-D1608 PolarHBondContact O-N 3.41Å; D1608-Y1610 VanDerWaalsContact C-N 3.31Å; D1608-Y1610 PolarHBondContact O-N 3.26Å; D1608-Q1611 PolarHBondContact O-N 3.28Å; D1608-S1612 VanDerWaalsContact O-CB 3.32Å; D1608-S1612 WeakPolarHBondContact O-CB 3.34Å; D1608-S1612 PolarHBondContact O-N 3.06Å; D1608-S1612 VanDerWaalsContact O-N 3.11Å; D1608-S1612 PolarHBondContact O-OG 2.86Å |
| 1609 | K | 51.9 | Low | 55.7 | Low | 155.2 Ų | 155.2 | 89.6 Ų | 89.6 | 68% | 0.675 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -64 | -37.1 | 178.3 | -158.9 | 174.2 | -173.8 | 178.6 | 0 | 111.7 | D1605 I1606 I1607 S1612 T1613 | D1605-K1609 WeakPolarHBondContact O-CB 3.23Å; D1605-K1609 PolarHBondContact O-N 3.24Å; D1605-K1609 VanDerWaalsContact O-N 3.08Å; I1606-K1609 PolarHBondContact O-N 3.06Å; I1607-K1609 VanDerWaalsContact C-N 3.3Å; I1607-K1609 PolarHBondContact O-N 3.03Å; K1609-S1612 PolarHBondContact O-N 3.02Å; K1609-S1612 PolarHBondContact O-OG 3.14Å; K1609-T1613 PolarHBondContact O-N 2.95Å |
| 1610 | Y | 50.6 | Low | 57.2 | Low | 86 Ų | 86 | 83.4 Ų | 83.4 | 34% | 0.337 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -76.8 | -38.7 | 177.3 | -72.1 | -57.1 | 0 | 0 | 0 | 113.7 | R1584 M1588 I1606 I1607 D1608 S1612 T1613 D1614 | R1584-Y1610 HydrophobicContact CG-CD1 4.45Å; R1584-Y1610 HydrophobicContact CG-CE1 4.45Å; R1584-Y1610 VanDerWaalsContact NH1-CG 3.32Å; M1588-Y1610 HydrophobicContact CE-CE2 4.28Å; M1588-Y1610 WeakPolarHBondContact CE-OH 3.36Å; I1606-Y1610 HydrophobicContact CG2-CD2 3.74Å; I1606-Y1610 HydrophobicContact CG2-CE2 3.37Å; I1606-Y1610 WeakPolarHBondContact O-CD2 3.3Å; I1606-Y1610 PolarHBondContact O-N 3.19Å; I1607-Y1610 PolarHBondContact O-N 3.16Å; I1607-Y1610 VanDerWaalsContact O-N 3.13Å; D1608-Y1610 VanDerWaalsContact C-N 3.31Å; D1608-Y1610 PolarHBondContact O-N 3.26Å; Y1610-S1612 PolarHBondContact O-N 2.88Å; Y1610-T1613 VanDerWaalsContact CA-OG1 3.31Å; Y1610-T1613 WeakPolarHBondContact CA-OG1 3.36Å; Y1610-T1613 PolarHBondContact O-N 2.99Å; Y1610-T1613 VanDerWaalsContact O-N 3.12Å; Y1610-T1613 PolarHBondContact O-OG1 3.06Å; Y1610-D1614 PolarHBondContact O-N 3.17Å; Y1610-D1614 VanDerWaalsContact O-N 3.1Å |
| 1611 | Q | 55 | Low | 59.3 | Low | 118.8 Ų | 118.8 | 78 Ų | 78 | 56% | 0.555 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -59.9 | -35.5 | 172.6 | -71.6 | -175.5 | 13.6 | 0 | 0 | 111.1 | I1607 D1608 T1613 D1614 Y1615 | I1607-Q1611 HydrophobicContact CG2-CG 4.33Å; I1607-Q1611 VanDerWaalsContact CG2-NE2 3.26Å; I1607-Q1611 WeakPolarHBondContact O-CB 3.41Å; I1607-Q1611 WeakPolarHBondContact O-CG 3.46Å; I1607-Q1611 PolarHBondContact O-N 3.11Å; D1608-Q1611 PolarHBondContact O-N 3.28Å; Q1611-T1613 VanDerWaalsContact C-N 3.33Å; Q1611-T1613 PolarHBondContact O-N 3.01Å; Q1611-D1614 PolarHBondContact O-N 2.78Å; Q1611-Y1615 WeakPolarHBondContact O-CB 3.32Å; Q1611-Y1615 PolarHBondContact O-N 2.98Å; Q1611-Y1615 VanDerWaalsContact O-N 3.14Å |
| 1612 | S | 56.2 | Low | 61.1 | Low | 63.6 Ų | 63.6 | 72.4 Ų | 72.4 | 45% | 0.445 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -64.8 | -36 | 175.2 | 74.3 | 0 | 0 | 0 | 0 | 113.3 | D1608 K1609 Y1610 V1616 | D1608-S1612 VanDerWaalsContact O-CB 3.32Å; D1608-S1612 WeakPolarHBondContact O-CB 3.34Å; D1608-S1612 PolarHBondContact O-N 3.06Å; D1608-S1612 VanDerWaalsContact O-N 3.11Å; D1608-S1612 PolarHBondContact O-OG 2.86Å; K1609-S1612 PolarHBondContact O-N 3.02Å; K1609-S1612 PolarHBondContact O-OG 3.14Å; Y1610-S1612 PolarHBondContact O-N 2.88Å; S1612-V1616 VanDerWaalsContact O-CG2 3.27Å; S1612-V1616 WeakPolarHBondContact O-CG2 3.3Å; S1612-V1616 PolarHBondContact O-N 3.18Å; S1612-V1616 VanDerWaalsContact O-N 3.13Å |
| 1613 | T | 59.3 | Low | 62.7 | Low | 63 Ų | 63 | 71 Ų | 71 | 39% | 0.387 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -72.7 | -41.6 | 178.6 | 48.9 | 0 | 0 | 0 | 0 | 112.4 | K1609 Y1610 Q1611 Y1615 V1616 I1617 | K1609-T1613 PolarHBondContact O-N 2.95Å; Y1610-T1613 VanDerWaalsContact CA-OG1 3.31Å; Y1610-T1613 WeakPolarHBondContact CA-OG1 3.36Å; Y1610-T1613 PolarHBondContact O-N 2.99Å; Y1610-T1613 VanDerWaalsContact O-N 3.12Å; Y1610-T1613 PolarHBondContact O-OG1 3.06Å; Q1611-T1613 VanDerWaalsContact C-N 3.33Å; Q1611-T1613 PolarHBondContact O-N 3.01Å; T1613-Y1615 VanDerWaalsContact C-N 3.3Å; T1613-Y1615 PolarHBondContact O-N 3.11Å; T1613-V1616 PolarHBondContact O-N 3.23Å; T1613-V1616 VanDerWaalsContact O-N 3.13Å; T1613-I1617 VanDerWaalsContact O-CG1 3.3Å; T1613-I1617 WeakPolarHBondContact O-CG1 3.46Å; T1613-I1617 PolarHBondContact O-N 3.08Å; T1613-I1617 VanDerWaalsContact O-N 3.09Å |
| 1614 | D | 63.7 | Low | 64.5 | Low | 39.6 Ų | 39.6 | 66.2 Ų | 66.2 | 21% | 0.212 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -64.3 | -42.6 | 179.9 | -67.3 | -17.7 | 0 | 0 | 0 | 110.4 | R1584 Y1610 Q1611 V1616 I1617 D1618 | R1584-D1614 IonicContact CZ-OD1 2.67Å; R1584-D1614 IonicContact CZ-OD2 3.57Å; R1584-D1614 IonicContact NH2-OD1 3.51Å; R1584-D1614 PolarHBondContact NH2-OD1 2.95Å; R1584-D1614 IonicContact NH2-OD2 3.3Å; R1584-D1614 PolarHBondContact NH2-OD2 3.06Å; Y1610-D1614 PolarHBondContact O-N 3.17Å; Y1610-D1614 VanDerWaalsContact O-N 3.1Å; Q1611-D1614 PolarHBondContact O-N 2.78Å; D1614-V1616 VanDerWaalsContact C-N 3.29Å; D1614-V1616 PolarHBondContact O-N 3.07Å; D1614-I1617 PolarHBondContact O-N 3.18Å; D1614-I1617 VanDerWaalsContact O-N 3.13Å; D1614-D1618 WeakPolarHBondContact O-CB 3.43Å; D1614-D1618 PolarHBondContact O-N 3.27Å |
| 1615 | Y | 67.5 | Low | 66.5 | Low | 124.8 Ų | 124.8 | 61.2 Ų | 61.2 | 49% | 0.489 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -58 | -38.4 | 173.8 | 178.3 | -100.8 | 0 | 0 | 0 | 113.2 | Q1611 T1613 R1619 | Q1611-Y1615 WeakPolarHBondContact O-CB 3.32Å; Q1611-Y1615 PolarHBondContact O-N 2.98Å; Q1611-Y1615 VanDerWaalsContact O-N 3.14Å; T1613-Y1615 VanDerWaalsContact C-N 3.3Å; T1613-Y1615 PolarHBondContact O-N 3.11Å; Y1615-R1619 VanDerWaalsContact O-CB 3.25Å; Y1615-R1619 WeakPolarHBondContact O-CB 3.36Å; Y1615-R1619 PolarHBondContact O-N 3.03Å |
| 1616 | V | 68.5 | Low | 68.3 | Low | 53.8 Ų | 53.8 | 59.1 Ų | 59.1 | 33% | 0.326 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -68.8 | -39.3 | 177.1 | 171 | 0 | 0 | 0 | 0 | 111.1 | S1612 T1613 D1614 N1620 | S1612-V1616 VanDerWaalsContact O-CG2 3.27Å; S1612-V1616 WeakPolarHBondContact O-CG2 3.3Å; S1612-V1616 PolarHBondContact O-N 3.18Å; S1612-V1616 VanDerWaalsContact O-N 3.13Å; T1613-V1616 PolarHBondContact O-N 3.23Å; T1613-V1616 VanDerWaalsContact O-N 3.13Å; D1614-V1616 VanDerWaalsContact C-N 3.29Å; D1614-V1616 PolarHBondContact O-N 3.07Å; V1616-N1620 WeakPolarHBondContact CG1-ND2 3.42Å; V1616-N1620 VanDerWaalsContact O-CB 3.27Å; V1616-N1620 WeakPolarHBondContact O-CB 3.26Å; V1616-N1620 PolarHBondContact O-N 3.13Å; V1616-N1620 VanDerWaalsContact O-N 3.1Å; V1616-N1620 PolarHBondContact O-ND2 3.06Å; V1616-N1620 VanDerWaalsContact O-ND2 3.16Å; V1616-N1620 PolarHBondContact O-OD1 2.95Å |
| 1617 | I | 71.1 | Confident | 70.1 | Confident | 19.6 Ų | 19.6 | 56.6 Ų | 56.6 | 10% | 0.101 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -66.1 | -49.4 | 177.1 | -64.1 | 169.6 | 0 | 0 | 0 | 110.4 | D1337 F1579 T1613 D1614 R1619 N1620 R1621 | D1337-I1617 HydrophobicContact CB-CD1 3.99Å; D1337-I1617 HydrophobicContact CB-CG1 3.79Å; D1337-I1617 HydrophobicContact CB-CG2 4.37Å; F1579-I1617 HydrophobicContact CB-CD1 4Å; F1579-I1617 HydrophobicContact CB-CG2 4.43Å; F1579-I1617 HydrophobicContact CD1-CD1 4.33Å; F1579-I1617 HydrophobicContact CD2-CD1 4.25Å; F1579-I1617 HydrophobicContact CG-CD1 4.19Å; T1613-I1617 VanDerWaalsContact O-CG1 3.3Å; T1613-I1617 WeakPolarHBondContact O-CG1 3.46Å; T1613-I1617 PolarHBondContact O-N 3.08Å; T1613-I1617 VanDerWaalsContact O-N 3.09Å; D1614-I1617 PolarHBondContact O-N 3.18Å; D1614-I1617 VanDerWaalsContact O-N 3.13Å; I1617-R1619 VanDerWaalsContact C-N 3.31Å; I1617-R1619 PolarHBondContact O-N 2.91Å; I1617-N1620 WeakPolarHBondContact O-CB 3.45Å; I1617-N1620 PolarHBondContact O-N 3.05Å; I1617-N1620 VanDerWaalsContact O-N 3.17Å; I1617-R1621 HydrophobicContact CG2-CG 4.39Å; I1617-R1621 VanDerWaalsContact O-CG 3.31Å; I1617-R1621 WeakPolarHBondContact O-CG 3.34Å; I1617-R1621 PolarHBondContact O-N 3.12Å |
| 1618 | D | 74.1 | Confident | 71.9 | Confident | 28.8 Ų | 28.8 | 53.1 Ų | 53.1 | 15% | 0.154 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -55.5 | -49 | 177.8 | -73.6 | -14.3 | 0 | 0 | 0 | 110.4 | L1577 D1614 N1620 R1621 I1622 | L1577-D1618 VanDerWaalsContact C-OD1 3.25Å; L1577-D1618 WeakPolarHBondContact CB-OD1 3.29Å; D1614-D1618 WeakPolarHBondContact O-CB 3.43Å; D1614-D1618 PolarHBondContact O-N 3.27Å; D1618-N1620 PolarHBondContact O-N 3.2Å; D1618-R1621 WeakPolarHBondContact O-CB 3.46Å; D1618-R1621 PolarHBondContact O-N 3.15Å; D1618-I1622 VanDerWaalsContact O-CB 3.29Å; D1618-I1622 WeakPolarHBondContact O-CB 3.38Å; D1618-I1622 WeakPolarHBondContact O-CD1 3.43Å; D1618-I1622 VanDerWaalsContact O-CG1 3.23Å; D1618-I1622 WeakPolarHBondContact O-CG1 3.41Å; D1618-I1622 PolarHBondContact O-N 3.21Å |
| 1619 | R | 76 | Confident | 73.6 | Confident | 100.4 Ų | 100.4 | 49.6 Ų | 49.6 | 38% | 0.379 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -61.3 | -45 | 178.4 | -174.9 | 175.4 | 139.5 | -176.7 | -0.4 | 112.5 | Y1615 I1617 R1621 I1622 D1623 | Y1615-R1619 VanDerWaalsContact O-CB 3.25Å; Y1615-R1619 WeakPolarHBondContact O-CB 3.36Å; Y1615-R1619 PolarHBondContact O-N 3.03Å; I1617-R1619 VanDerWaalsContact C-N 3.31Å; I1617-R1619 PolarHBondContact O-N 2.91Å; R1619-R1621 VanDerWaalsContact C-N 3.32Å; R1619-R1621 PolarHBondContact O-N 3.16Å; R1619-I1622 WeakPolarHBondContact O-CB 3.31Å; R1619-I1622 PolarHBondContact O-N 2.97Å; R1619-D1623 IonicContact NE-OD2 2.89Å; R1619-D1623 WeakPolarHBondContact O-CB 3.26Å; R1619-D1623 VanDerWaalsContact O-CG 3.27Å; R1619-D1623 PolarHBondContact O-N 2.88Å |
| 1620 | N | 77.7 | Confident | 75.3 | Confident | 18.8 Ų | 18.8 | 42.6 Ų | 42.6 | 10% | 0.101 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -60.9 | -41.1 | 177.9 | -80.6 | -23.9 | 0 | 0 | 0 | 112 | Y1435 L1437 V1616 I1617 D1618 D1623 A1624 | Y1435-N1620 WeakPolarHBondContact CE2-O 3.24Å; Y1435-N1620 VanDerWaalsContact CZ-O 3.25Å; Y1435-N1620 WeakPolarHBondContact OH-CA 3.41Å; Y1435-N1620 WeakPolarHBondContact OH-CB 3.32Å; Y1435-N1620 VanDerWaalsContact OH-CG 3.31Å; Y1435-N1620 PolarHBondContact OH-O 3.12Å; Y1435-N1620 PolarHBondContact OH-OD1 3.23Å; L1437-N1620 VanDerWaalsContact CD2-OD1 3.28Å; L1437-N1620 WeakPolarHBondContact CD2-OD1 3.48Å; V1616-N1620 WeakPolarHBondContact CG1-ND2 3.42Å; V1616-N1620 VanDerWaalsContact O-CB 3.27Å; V1616-N1620 WeakPolarHBondContact O-CB 3.26Å; V1616-N1620 PolarHBondContact O-N 3.13Å; V1616-N1620 VanDerWaalsContact O-N 3.1Å; V1616-N1620 PolarHBondContact O-ND2 3.06Å; V1616-N1620 VanDerWaalsContact O-ND2 3.16Å; V1616-N1620 PolarHBondContact O-OD1 2.95Å; I1617-N1620 WeakPolarHBondContact O-CB 3.45Å; I1617-N1620 PolarHBondContact O-N 3.05Å; I1617-N1620 VanDerWaalsContact O-N 3.17Å; D1618-N1620 PolarHBondContact O-N 3.2Å; N1620-D1623 PolarHBondContact O-N 3.19Å; N1620-A1624 VanDerWaalsContact O-CB 3.29Å; N1620-A1624 WeakPolarHBondContact O-CB 3.35Å; N1620-A1624 PolarHBondContact O-N 3.03Å; N1620-A1624 VanDerWaalsContact O-N 3.07Å |
| 1621 | R | 85.2 | Confident | 76.9 | Confident | 2.4 Ų | 2.4 | 41.8 Ų | 41.8 | 1% | 0.009 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -70.5 | -38.2 | 176.8 | -68.4 | 175.6 | 173.6 | -179.5 | -3.7 | 111.9 | D1337 G1427 I1430 S1431 L1576 L1577 I1578 I1617 D1618 R1619 A1624 L1625 | D1337-R1621 IonicContact OD2-NH2 3.54Å; G1427-R1621 PolarHBondContact O-NE 3.05Å; G1427-R1621 VanDerWaalsContact O-NE 3.13Å; I1430-R1621 HydrophobicContact CG2-CB 4.21Å; I1430-R1621 HydrophobicContact CG2-CG 4.32Å; S1431-R1621 WeakPolarHBondContact OG-CG 3.32Å; S1431-R1621 PolarHBondContact OG-NE 3.24Å; L1576-R1621 VanDerWaalsContact O-CD 3.3Å; L1576-R1621 WeakPolarHBondContact O-CD 3.4Å; L1576-R1621 PolarHBondContact O-NH1 3.2Å; L1576-R1621 VanDerWaalsContact O-NH1 3.16Å; L1577-R1621 HydrophobicContact CD2-CB 4.02Å; L1577-R1621 WeakPolarHBondContact O-CD 3.4Å; L1577-R1621 PolarHBondContact O-NH1 3.02Å; I1578-R1621 PolarHBondContact O-NH1 2.97Å; I1617-R1621 HydrophobicContact CG2-CG 4.39Å; I1617-R1621 VanDerWaalsContact O-CG 3.31Å; I1617-R1621 WeakPolarHBondContact O-CG 3.34Å; I1617-R1621 PolarHBondContact O-N 3.12Å; D1618-R1621 WeakPolarHBondContact O-CB 3.46Å; D1618-R1621 PolarHBondContact O-N 3.15Å; R1619-R1621 VanDerWaalsContact C-N 3.32Å; R1619-R1621 PolarHBondContact O-N 3.16Å; R1621-A1624 WeakPolarHBondContact O-CB 3.3Å; R1621-A1624 PolarHBondContact O-N 3.13Å; R1621-L1625 WeakPolarHBondContact O-CB 3.38Å; R1621-L1625 VanDerWaalsContact O-CG 3.29Å; R1621-L1625 WeakPolarHBondContact O-CG 3.38Å; R1621-L1625 PolarHBondContact O-N 3.03Å |
| 1622 | I | 82.5 | Confident | 78.3 | Confident | 20.6 Ų | 20.6 | 39.2 Ų | 39.2 | 11% | 0.106 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -60 | -47.7 | 172.1 | -73.6 | 167.4 | 0 | 0 | 0 | 110.8 | V1520 P1522 L1577 D1618 R1619 A1624 L1625 H1626 | V1520-I1622 HydrophobicContact CG1-CB 4.26Å; V1520-I1622 HydrophobicContact CG1-CD1 4.38Å; V1520-I1622 HydrophobicContact CG1-CG1 3.82Å; V1520-I1622 HydrophobicContact CG1-CG2 3.79Å; P1522-I1622 HydrophobicContact CG-CG2 4.35Å; L1577-I1622 HydrophobicContact CD1-CG1 4.41Å; L1577-I1622 HydrophobicContact CD2-CG1 4.03Å; D1618-I1622 VanDerWaalsContact O-CB 3.29Å; D1618-I1622 WeakPolarHBondContact O-CB 3.38Å; D1618-I1622 WeakPolarHBondContact O-CD1 3.43Å; D1618-I1622 VanDerWaalsContact O-CG1 3.23Å; D1618-I1622 WeakPolarHBondContact O-CG1 3.41Å; D1618-I1622 PolarHBondContact O-N 3.21Å; R1619-I1622 WeakPolarHBondContact O-CB 3.31Å; R1619-I1622 PolarHBondContact O-N 2.97Å; I1622-A1624 VanDerWaalsContact C-N 3.31Å; I1622-A1624 PolarHBondContact O-N 3.19Å; I1622-L1625 WeakPolarHBondContact O-CB 3.45Å; I1622-L1625 PolarHBondContact O-N 3.18Å; I1622-L1625 VanDerWaalsContact O-N 3.16Å; I1622-H1626 WeakPolarHBondContact CG2-CE1 3.14Å; I1622-H1626 PolarHBondContact O-CD2 3.09Å; I1622-H1626 VanDerWaalsContact O-CD2 3.26Å; I1622-H1626 PolarHBondContact O-N 3.26Å; I1622-H1626 PolarHBondContact O-ND1 2.84Å |
| 1623 | D | 81.2 | Confident | 79.4 | Confident | 49 Ų | 49 | 37.5 Ų | 37.5 | 26% | 0.262 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -62.6 | -38.9 | 178 | -73.1 | -20.9 | 0 | 0 | 0 | 111.6 | Y1435 R1619 N1620 H1626 W1627 | Y1435-D1623 HydrophobicContact CD2-CB 3.82Å; Y1435-D1623 HydrophobicContact CE2-CB 3.81Å; R1619-D1623 IonicContact NE-OD2 2.89Å; R1619-D1623 WeakPolarHBondContact O-CB 3.26Å; R1619-D1623 VanDerWaalsContact O-CG 3.27Å; R1619-D1623 PolarHBondContact O-N 2.88Å; N1620-D1623 PolarHBondContact O-N 3.19Å; D1623-H1626 PolarHBondContact O-N 3.04Å; D1623-W1627 WeakPolarHBondContact O-CB 3.41Å; D1623-W1627 PolarHBondContact O-N 3.13Å |
| 1624 | A | 86.2 | Confident | 80.5 | Confident | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -66.1 | -39.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | I1430 Y1435 N1620 R1621 I1622 W1627 L1628 | I1430-A1624 HydrophobicContact CG2-CB 3.41Å; I1430-A1624 VanDerWaalsContact CG2-CB 3.42Å; Y1435-A1624 HydrophobicContact CD1-CB 3.44Å; Y1435-A1624 VanDerWaalsContact CD1-CB 3.46Å; Y1435-A1624 HydrophobicContact CD2-CB 4.39Å; Y1435-A1624 HydrophobicContact CE1-CB 3.67Å; Y1435-A1624 VanDerWaalsContact CE1-CB 3.47Å; Y1435-A1624 HydrophobicContact CE2-CB 4.31Å; Y1435-A1624 HydrophobicContact CG-CB 3.88Å; N1620-A1624 VanDerWaalsContact O-CB 3.29Å; N1620-A1624 WeakPolarHBondContact O-CB 3.35Å; N1620-A1624 PolarHBondContact O-N 3.03Å; N1620-A1624 VanDerWaalsContact O-N 3.07Å; R1621-A1624 WeakPolarHBondContact O-CB 3.3Å; R1621-A1624 PolarHBondContact O-N 3.13Å; I1622-A1624 VanDerWaalsContact C-N 3.31Å; I1622-A1624 PolarHBondContact O-N 3.19Å; A1624-W1627 WeakPolarHBondContact O-CB 3.4Å; A1624-W1627 PolarHBondContact O-N 2.96Å; A1624-L1628 WeakPolarHBondContact O-CG 3.3Å; A1624-L1628 PolarHBondContact O-N 3.05Å |
| 1625 | L | 89.2 | Confident | 81.4 | Confident | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -64 | -43.4 | 173.9 | -74.2 | 171 | 0 | 0 | 0 | 111.2 | I1430 L1494 L1518 V1520 P1572 L1576 L1577 R1621 I1622 W1627 L1628 G1629 A1630 | I1430-L1625 HydrophobicContact CD1-CD2 4.03Å; I1430-L1625 HydrophobicContact CD1-CG 4.5Å; L1494-L1625 HydrophobicContact CD1-CD2 4Å; L1494-L1625 HydrophobicContact CD2-CD2 4.02Å; L1518-L1625 HydrophobicContact CD1-CD2 4.13Å; V1520-L1625 HydrophobicContact CG2-CB 4.12Å; V1520-L1625 HydrophobicContact CG2-CD1 3.96Å; P1572-L1625 HydrophobicContact CB-CD1 4.41Å; P1572-L1625 HydrophobicContact CG-CD1 4.09Å; L1576-L1625 HydrophobicContact CD2-CD1 4.32Å; L1576-L1625 HydrophobicContact CD2-CD2 4.32Å; L1577-L1625 HydrophobicContact CD2-CD1 4.01Å; R1621-L1625 WeakPolarHBondContact O-CB 3.38Å; R1621-L1625 VanDerWaalsContact O-CG 3.29Å; R1621-L1625 WeakPolarHBondContact O-CG 3.38Å; R1621-L1625 PolarHBondContact O-N 3.03Å; I1622-L1625 WeakPolarHBondContact O-CB 3.45Å; I1622-L1625 PolarHBondContact O-N 3.18Å; I1622-L1625 VanDerWaalsContact O-N 3.16Å; L1625-W1627 VanDerWaalsContact C-N 3.31Å; L1625-W1627 PolarHBondContact O-N 3.08Å; L1625-L1628 WeakPolarHBondContact O-CB 3.23Å; L1625-L1628 PolarHBondContact O-N 3.19Å; L1625-L1628 VanDerWaalsContact O-N 3.13Å; L1625-G1629 PolarHBondContact O-N 3.24Å; L1625-G1629 VanDerWaalsContact O-N 3.13Å; L1625-A1630 HydrophobicContact CB-CB 3.91Å; L1625-A1630 VanDerWaalsContact O-CB 3.25Å; L1625-A1630 WeakPolarHBondContact O-CB 3.32Å; L1625-A1630 PolarHBondContact O-N 3.02Å |
| 1626 | H | 85.9 | Confident | 82.1 | Confident | 51.4 Ų | 51.4 | 33.9 Ų | 33.9 | 24% | 0.238 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -62.6 | -37.7 | 173.1 | -71.2 | -39.5 | 0 | 0 | 0 | 112.4 | I1622 D1623 L1628 G1629 A1630 T1632 | I1622-H1626 WeakPolarHBondContact CG2-CE1 3.14Å; I1622-H1626 PolarHBondContact O-CD2 3.09Å; I1622-H1626 VanDerWaalsContact O-CD2 3.26Å; I1622-H1626 PolarHBondContact O-N 3.26Å; I1622-H1626 PolarHBondContact O-ND1 2.84Å; D1623-H1626 PolarHBondContact O-N 3.04Å; H1626-L1628 VanDerWaalsContact C-N 3.31Å; H1626-L1628 PolarHBondContact O-N 3.16Å; H1626-G1629 WeakPolarHBondContact O-CA 3.39Å; H1626-G1629 PolarHBondContact O-N 3.22Å; H1626-G1629 VanDerWaalsContact O-N 3.12Å; H1626-A1630 PolarHBondContact ND1-O 3.21Å; H1626-A1630 VanDerWaalsContact ND1-O 3.14Å; H1626-T1632 WeakPolarHBondContact CD2-CG2 3.26Å; H1626-T1632 WeakPolarHBondContact CE1-CG2 3.35Å; H1626-T1632 WeakPolarHBondContact NE2-CG2 3.38Å |
| 1627 | W | 87.5 | Confident | 82.9 | Confident | 15 Ų | 15 | 31.8 Ų | 31.8 | 6% | 0.057 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -60.6 | -42.8 | 172.2 | 178.1 | 72.3 | 0 | 0 | 0 | 112.2 | L1433 P1434 Y1435 S1481 L1484 R1485 D1623 A1624 L1625 G1629 W1677 | L1433-W1627 HydrophobicContact CB-CE3 4.15Å; L1433-W1627 HydrophobicContact CB-CH2 4.45Å; L1433-W1627 HydrophobicContact CB-CZ3 3.94Å; L1433-W1627 HydrophobicContact CD1-CE3 4.13Å; L1433-W1627 HydrophobicContact CD1-CZ3 4.09Å; L1433-W1627 HydrophobicContact CD2-CZ3 4.21Å; L1433-W1627 HydrophobicContact CG-CE3 4.42Å; L1433-W1627 HydrophobicContact CG-CZ3 4.12Å; P1434-W1627 VanDerWaalsContact CD-CH2 3.48Å; P1434-W1627 HydrophobicContact CG-CH2 3.8Å; P1434-W1627 HydrophobicContact CG-CZ2 3.93Å; P1434-W1627 HydrophobicContact CG-CZ3 4.44Å; Y1435-W1627 VanDerWaalsContact CB-CB 3.43Å; Y1435-W1627 VanDerWaalsContact CB-CG 3.43Å; S1481-W1627 WeakPolarHBondContact O-CH2 3.35Å; S1481-W1627 VanDerWaalsContact O-CZ2 3.27Å; S1481-W1627 WeakPolarHBondContact O-CZ2 3.36Å; L1484-W1627 HydrophobicContact CB-CH2 4.24Å; R1485-W1627 HydrophobicContact CB-CH2 3.8Å; R1485-W1627 HydrophobicContact CB-CZ2 3.56Å; R1485-W1627 HydrophobicContact CB-CZ3 4.26Å; R1485-W1627 WeakPolarHBondContact CD-O 3.33Å; R1485-W1627 HydrophobicContact CG-CD2 4.27Å; R1485-W1627 HydrophobicContact CG-CE3 4.38Å; R1485-W1627 HydrophobicContact CG-CH2 4.25Å; R1485-W1627 HydrophobicContact CG-CZ2 4.15Å; R1485-W1627 HydrophobicContact CG-CZ3 4.4Å; R1485-W1627 VanDerWaalsContact CZ-O 3.26Å; R1485-W1627 PolarHBondContact NE-O 3.21Å; R1485-W1627 PolarHBondContact NH2-O 3.15Å; R1485-W1627 VanDerWaalsContact NH2-O 3.15Å; D1623-W1627 WeakPolarHBondContact O-CB 3.41Å; D1623-W1627 PolarHBondContact O-N 3.13Å; A1624-W1627 WeakPolarHBondContact O-CB 3.4Å; A1624-W1627 PolarHBondContact O-N 2.96Å; L1625-W1627 VanDerWaalsContact C-N 3.31Å; L1625-W1627 PolarHBondContact O-N 3.08Å; W1627-G1629 PolarHBondContact O-N 3.41Å; W1627-W1677 HydrophobicContact CB-CE3 4.32Å; W1627-W1677 HydrophobicContact CB-CH2 3.68Å; W1627-W1677 HydrophobicContact CB-CZ2 4.17Å; W1627-W1677 HydrophobicContact CB-CZ3 3.27Å; W1627-W1677 AromaticContact CD1-CE3 3.87Å; W1627-W1677 AromaticContact CD1-CH2 3.23Å; W1627-W1677 AromaticContact CD1-CZ2 3.27Å; W1627-W1677 AromaticContact CD1-CZ3 3.35Å; W1627-W1677 HydrophobicContact CD2-CH2 4.11Å; W1627-W1677 HydrophobicContact CD2-CZ3 4.45Å; W1627-W1677 AromaticContact CG-CH2 3.61Å; W1627-W1677 HydrophobicContact CG-CH2 3.61Å; W1627-W1677 HydrophobicContact CG-CZ2 4.02Å; W1627-W1677 AromaticContact CG-CZ3 3.2Å; W1627-W1677 HydrophobicContact CG-CZ3 3.2Å; W1627-W1677 HydrophobicContact CZ2-CH2 4.35Å; W1627-W1677 AromaticContact NE1-CE3 3.63Å; W1627-W1677 AromaticContact NE1-CH2 3.13Å; W1627-W1677 AromaticContact NE1-CZ2 3.58Å; W1627-W1677 AromaticContact NE1-CZ3 3.4Å |
| 1628 | L | 89.9 | Confident | 83.6 | Confident | 2 Ų | 2 | 30.9 Ų | 30.9 | 1% | 0.01 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -66.1 | -18.7 | 174.3 | -69.7 | 172.1 | 0 | 0 | 0 | 113.1 | L1433 L1488 S1489 W1493 L1494 A1515 A1624 L1625 H1626 | L1433-L1628 HydrophobicContact CD1-CD1 3.74Å; L1433-L1628 HydrophobicContact CD1-CD2 4.05Å; L1433-L1628 HydrophobicContact CD1-CG 4.02Å; L1488-L1628 HydrophobicContact CB-CD2 3.72Å; S1489-L1628 WeakPolarHBondContact CB-O 3.3Å; W1493-L1628 HydrophobicContact CH2-CD1 4.44Å; W1493-L1628 HydrophobicContact CZ2-CD1 3.78Å; L1494-L1628 HydrophobicContact CD1-CD1 4.08Å; L1494-L1628 HydrophobicContact CD2-CD1 4.2Å; A1515-L1628 VanDerWaalsContact CB-C 3.44Å; A1515-L1628 HydrophobicContact CB-CB 3.65Å; A1515-L1628 VanDerWaalsContact CB-CB 3.48Å; A1515-L1628 VanDerWaalsContact CB-O 3.25Å; A1515-L1628 WeakPolarHBondContact CB-O 3.36Å; A1624-L1628 WeakPolarHBondContact O-CG 3.3Å; A1624-L1628 PolarHBondContact O-N 3.05Å; L1625-L1628 WeakPolarHBondContact O-CB 3.23Å; L1625-L1628 PolarHBondContact O-N 3.19Å; L1625-L1628 VanDerWaalsContact O-N 3.13Å; H1626-L1628 VanDerWaalsContact C-N 3.31Å; H1626-L1628 PolarHBondContact O-N 3.16Å |
| 1629 | G | 86.4 | Confident | 84.2 | Confident | 28.4 Ų | 28.4 | 30.6 Ų | 30.6 | 29% | 0.293 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 108.2 | 19.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | S1516 L1625 H1626 W1627 Q1631 | S1516-G1629 WeakPolarHBondContact CA-O 3.24Å; L1625-G1629 PolarHBondContact O-N 3.24Å; L1625-G1629 VanDerWaalsContact O-N 3.13Å; H1626-G1629 WeakPolarHBondContact O-CA 3.39Å; H1626-G1629 PolarHBondContact O-N 3.22Å; H1626-G1629 VanDerWaalsContact O-N 3.12Å; W1627-G1629 PolarHBondContact O-N 3.41Å; G1629-Q1631 PolarHBondContact O-N 3.08Å |
| 1630 | A | 88.1 | Confident | 84.6 | Confident | 8.2 Ų | 8.2 | 29.3 Ų | 29.3 | 7% | 0.068 | 16% | 0.161 | C | C | . | . | trans | -60 | 136.3 | 168.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | A1515 L1518 V1520 L1625 H1626 | A1515-A1630 VanDerWaalsContact O-CA 3.25Å; A1515-A1630 WeakPolarHBondContact O-CA 3.31Å; L1518-A1630 HydrophobicContact CB-CB 4.09Å; V1520-A1630 HydrophobicContact CG2-CB 3.77Å; L1625-A1630 HydrophobicContact CB-CB 3.91Å; L1625-A1630 VanDerWaalsContact O-CB 3.25Å; L1625-A1630 WeakPolarHBondContact O-CB 3.32Å; L1625-A1630 PolarHBondContact O-N 3.02Å; H1626-A1630 PolarHBondContact ND1-O 3.21Å; H1626-A1630 VanDerWaalsContact ND1-O 3.14Å | ||
| 1631 | Q | 84.5 | Confident | 85 | Confident | 69.2 Ų | 69.2 | 28.6 Ų | 28.6 | 32% | 0.323 | 16% | 0.157 | S | C | . | . | B | Isolated β-bridge | trans | -76.7 | 147.4 | -176.7 | -56.5 | -166.2 | 22.2 | 0 | 0 | 110.7 | S1516 L1518 L1519 V1520 I1569 G1629 | S1516-Q1631 PolarHBondContact O-NE2 2.97Å; L1518-Q1631 WeakPolarHBondContact O-CB 3.33Å; L1518-Q1631 PolarHBondContact O-N 3.14Å; L1519-Q1631 WeakPolarHBondContact CA-O 3.33Å; L1519-Q1631 HydrophobicContact CD1-CB 4.36Å; V1520-Q1631 PolarHBondContact N-O 3.02Å; I1569-Q1631 HydrophobicContact CD1-CG 4.4Å; G1629-Q1631 PolarHBondContact O-N 3.08Å |
| 1632 | T | 82.7 | Confident | 85.1 | Confident | 64.6 Ų | 64.6 | 28.6 Ų | 28.6 | 40% | 0.396 | 16% | 0.158 | S | C | . | . | trans | -105.2 | 166.8 | 163.3 | 70.2 | 0 | 0 | 0 | 0 | 109.5 | H1626 S1634 | H1626-T1632 WeakPolarHBondContact CD2-CG2 3.26Å; H1626-T1632 WeakPolarHBondContact CE1-CG2 3.35Å; H1626-T1632 WeakPolarHBondContact NE2-CG2 3.38Å; T1632-S1634 PolarHBondContact O-N 2.91Å; T1632-S1634 VanDerWaalsContact O-N 3.11Å | ||
| 1633 | I | 80.7 | Confident | 85.1 | Confident | 28.4 Ų | 28.4 | 30.9 Ų | 30.9 | 15% | 0.146 | 17% | 0.173 | C | C | . | . | trans | -62.1 | 120.2 | 165.2 | -56.9 | 177.2 | 0 | 0 | 0 | 107.9 | L1519 V1521 L1525 L1563 L1638 C1666 | L1519-I1633 HydrophobicContact CD1-CG1 4.19Å; V1521-I1633 HydrophobicContact CG1-CD1 4.02Å; V1521-I1633 HydrophobicContact CG2-CD1 4.2Å; V1521-I1633 HydrophobicContact CG2-CG1 3.84Å; L1525-I1633 HydrophobicContact CD1-CD1 4.02Å; L1563-I1633 HydrophobicContact CD1-CD1 4.06Å; L1563-I1633 HydrophobicContact CD1-CG1 4.08Å; L1563-I1633 HydrophobicContact CD1-CG2 4.44Å; L1563-I1633 HydrophobicContact CD2-CB 4.37Å; L1563-I1633 HydrophobicContact CD2-CD1 4.04Å; L1563-I1633 HydrophobicContact CD2-CG1 3.86Å; L1563-I1633 HydrophobicContact CD2-CG2 4.23Å; I1633-L1638 HydrophobicContact CG2-CD1 3.72Å; I1633-L1638 HydrophobicContact CG2-CD2 3.77Å; I1633-L1638 HydrophobicContact CG2-CG 3.63Å; I1633-C1666 PolarHBondContact O-SG 2.91Å | ||
| 1634 | S | 81.2 | Confident | 85.2 | Confident | 35 Ų | 35 | 32.7 Ų | 32.7 | 25% | 0.245 | 18% | 0.182 | C | C | . | . | trans | -118.5 | 159.2 | 178.9 | 72.8 | 0 | 0 | 0 | 0 | 110.9 | T1632 E1636 S1637 L1638 | T1632-S1634 PolarHBondContact O-N 2.91Å; T1632-S1634 VanDerWaalsContact O-N 3.11Å; S1634-E1636 VanDerWaalsContact C-N 3.29Å; S1634-E1636 PolarHBondContact O-N 3.06Å; S1634-E1636 PolarHBondContact OG-N 2.99Å; S1634-S1637 PolarHBondContact N-OG 3.35Å; S1634-S1637 PolarHBondContact O-N 3.12Å; S1634-S1637 VanDerWaalsContact O-N 3.13Å; S1634-S1637 PolarHBondContact O-OG 3.22Å; S1634-S1637 VanDerWaalsContact O-OG 3.1Å; S1634-S1637 WeakPolarHBondContact OG-CB 3.34Å; S1634-S1637 PolarHBondContact OG-N 3.01Å; S1634-S1637 VanDerWaalsContact OG-N 3.13Å; S1634-S1637 PolarHBondContact OG-OG 3.11Å; S1634-S1637 VanDerWaalsContact OG-OG 3.12Å; S1634-L1638 WeakPolarHBondContact O-CB 3.39Å; S1634-L1638 WeakPolarHBondContact O-CG 3.42Å; S1634-L1638 PolarHBondContact O-N 3.09Å | ||
| 1635 | I | 83.4 | Confident | 85.1 | Confident | 13.2 Ų | 13.2 | 33.8 Ų | 33.8 | 7% | 0.068 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -57.2 | -40.9 | 175.5 | -59.2 | 176.5 | 0 | 0 | 0 | 110.3 | S1637 L1638 L1639 F1663 C1666 L1667 Y1670 L1696 | I1635-S1637 VanDerWaalsContact C-N 3.35Å; I1635-S1637 PolarHBondContact O-N 2.91Å; I1635-L1638 PolarHBondContact O-N 3.32Å; I1635-L1639 HydrophobicContact CG2-CD1 3.94Å; I1635-L1639 HydrophobicContact CG2-CG 4.31Å; I1635-L1639 VanDerWaalsContact O-CB 3.31Å; I1635-L1639 WeakPolarHBondContact O-CB 3.35Å; I1635-L1639 VanDerWaalsContact O-CG 3.29Å; I1635-L1639 WeakPolarHBondContact O-CG 3.29Å; I1635-L1639 PolarHBondContact O-N 3.18Å; I1635-F1663 HydrophobicContact CG2-CD1 4.25Å; I1635-F1663 HydrophobicContact CG2-CE1 4.21Å; I1635-C1666 HydrophobicContact CD1-CB 4.41Å; I1635-C1666 HydrophobicContact CG1-CB 3.62Å; I1635-C1666 VanDerWaalsContact CG1-CB 3.48Å; I1635-L1667 HydrophobicContact CD1-CD2 3.63Å; I1635-L1667 HydrophobicContact CD1-CG 4.06Å; I1635-Y1670 HydrophobicContact CD1-CD2 4.3Å; I1635-Y1670 HydrophobicContact CD1-CE2 4.21Å; I1635-Y1670 HydrophobicContact CG1-CE2 4.26Å; I1635-L1696 HydrophobicContact CG2-CB 4.36Å; I1635-L1696 HydrophobicContact CG2-CD1 3.97Å |
| 1636 | E | 82.4 | Confident | 84.8 | Confident | 102.6 Ų | 102.6 | 39.8 Ų | 39.8 | 48% | 0.479 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -65.8 | -42 | 178.9 | -106.5 | 85.8 | -175.1 | 0 | 0 | 112.1 | S1634 L1638 L1639 N1640 | S1634-E1636 VanDerWaalsContact C-N 3.29Å; S1634-E1636 PolarHBondContact O-N 3.06Å; S1634-E1636 PolarHBondContact OG-N 2.99Å; E1636-L1638 VanDerWaalsContact C-N 3.31Å; E1636-L1638 PolarHBondContact O-N 3.13Å; E1636-L1639 PolarHBondContact O-N 3.12Å; E1636-N1640 WeakPolarHBondContact O-CB 3.32Å; E1636-N1640 VanDerWaalsContact O-CG 3.28Å; E1636-N1640 PolarHBondContact O-N 3.1Å; E1636-N1640 PolarHBondContact O-ND2 3.01Å |
| 1637 | S | 83.9 | Confident | 84.3 | Confident | 10.8 Ų | 10.8 | 41.3 Ų | 41.3 | 8% | 0.076 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -64 | -41.6 | 176.5 | -17.9 | 0 | 0 | 0 | 0 | 112 | S1634 I1635 N1640 L1641 | S1634-S1637 PolarHBondContact N-OG 3.35Å; S1634-S1637 PolarHBondContact O-N 3.12Å; S1634-S1637 VanDerWaalsContact O-N 3.13Å; S1634-S1637 PolarHBondContact O-OG 3.22Å; S1634-S1637 VanDerWaalsContact O-OG 3.1Å; S1634-S1637 WeakPolarHBondContact OG-CB 3.34Å; S1634-S1637 PolarHBondContact OG-N 3.01Å; S1634-S1637 VanDerWaalsContact OG-N 3.13Å; S1634-S1637 PolarHBondContact OG-OG 3.11Å; S1634-S1637 VanDerWaalsContact OG-OG 3.12Å; I1635-S1637 VanDerWaalsContact C-N 3.35Å; I1635-S1637 PolarHBondContact O-N 2.91Å; S1637-N1640 PolarHBondContact O-N 3.19Å; S1637-L1641 WeakPolarHBondContact O-CB 3.36Å; S1637-L1641 PolarHBondContact O-N 3.06Å |
| 1638 | L | 87.3 | Confident | 83.9 | Confident | 0.2 Ų | 0.2 | 47.4 Ų | 47.4 | 0% | 0.001 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -68.6 | -38.6 | 176.3 | -70.1 | 173.7 | 0 | 0 | 0 | 112.3 | L1559 L1563 I1633 S1634 I1635 E1636 L1641 A1642 L1659 F1663 | L1559-L1638 HydrophobicContact CD1-CD2 4.47Å; L1559-L1638 HydrophobicContact CD2-CD2 4.29Å; L1563-L1638 HydrophobicContact CD1-CD2 3.96Å; L1563-L1638 HydrophobicContact CD1-CG 4.37Å; L1563-L1638 HydrophobicContact CD2-CD2 4.28Å; I1633-L1638 HydrophobicContact CG2-CD1 3.72Å; I1633-L1638 HydrophobicContact CG2-CD2 3.77Å; I1633-L1638 HydrophobicContact CG2-CG 3.63Å; S1634-L1638 WeakPolarHBondContact O-CB 3.39Å; S1634-L1638 WeakPolarHBondContact O-CG 3.42Å; S1634-L1638 PolarHBondContact O-N 3.09Å; I1635-L1638 PolarHBondContact O-N 3.32Å; E1636-L1638 VanDerWaalsContact C-N 3.31Å; E1636-L1638 PolarHBondContact O-N 3.13Å; L1638-L1641 PolarHBondContact O-N 3.02Å; L1638-A1642 VanDerWaalsContact O-CB 3.26Å; L1638-A1642 WeakPolarHBondContact O-CB 3.37Å; L1638-A1642 PolarHBondContact O-N 3.02Å; L1638-L1659 HydrophobicContact CB-CD1 4.36Å; L1638-L1659 HydrophobicContact CD2-CD1 4.12Å; L1638-F1663 HydrophobicContact CB-CD1 3.95Å; L1638-F1663 HydrophobicContact CB-CE1 3.28Å; L1638-F1663 HydrophobicContact CB-CE2 4.48Å; L1638-F1663 HydrophobicContact CB-CZ 3.61Å; L1638-F1663 HydrophobicContact CD1-CD1 3.77Å; L1638-F1663 HydrophobicContact CD1-CE1 4.01Å; L1638-F1663 HydrophobicContact CD1-CG 4.28Å; L1638-F1663 HydrophobicContact CG-CD1 4.36Å; L1638-F1663 HydrophobicContact CG-CE1 4.3Å |
| 1639 | L | 86.4 | Confident | 83.5 | Confident | 22.2 Ų | 22.2 | 48.3 Ų | 48.3 | 12% | 0.116 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -65.9 | -42.7 | 174.6 | -78.2 | 175 | 0 | 0 | 0 | 111.8 | I1635 E1636 L1641 A1642 T1643 F1663 L1696 A1699 L1703 | I1635-L1639 HydrophobicContact CG2-CD1 3.94Å; I1635-L1639 HydrophobicContact CG2-CG 4.31Å; I1635-L1639 VanDerWaalsContact O-CB 3.31Å; I1635-L1639 WeakPolarHBondContact O-CB 3.35Å; I1635-L1639 VanDerWaalsContact O-CG 3.29Å; I1635-L1639 WeakPolarHBondContact O-CG 3.29Å; I1635-L1639 PolarHBondContact O-N 3.18Å; E1636-L1639 PolarHBondContact O-N 3.12Å; L1639-L1641 VanDerWaalsContact C-N 3.32Å; L1639-L1641 PolarHBondContact O-N 2.89Å; L1639-A1642 PolarHBondContact O-N 3.13Å; L1639-A1642 VanDerWaalsContact O-N 3.14Å; L1639-T1643 WeakPolarHBondContact O-CB 3.44Å; L1639-T1643 WeakPolarHBondContact O-CG2 3.33Å; L1639-T1643 PolarHBondContact O-N 2.99Å; L1639-T1643 PolarHBondContact O-OG1 3.04Å; L1639-F1663 HydrophobicContact CD2-CE1 4.2Å; L1639-F1663 HydrophobicContact CD2-CZ 3.93Å; L1639-F1663 HydrophobicContact CG-CE1 3.98Å; L1639-F1663 HydrophobicContact CG-CZ 4.12Å; L1639-L1696 HydrophobicContact CD1-CD1 4.28Å; L1639-L1696 HydrophobicContact CD2-CD1 3.84Å; L1639-L1696 HydrophobicContact CG-CD1 4.16Å; L1639-A1699 HydrophobicContact CD1-CB 4.12Å; L1639-A1699 HydrophobicContact CD2-CB 3.64Å; L1639-A1699 HydrophobicContact CG-CB 4.48Å; L1639-L1703 HydrophobicContact CD2-CD1 3.78Å |
| 1640 | N | 84 | Confident | 83.1 | Confident | 73.4 Ų | 73.4 | 47.7 Ų | 47.7 | 39% | 0.393 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -64.6 | -39.4 | 176.1 | -74.3 | -23.5 | 0 | 0 | 0 | 111.6 | Y1566 E1636 S1637 T1643 N1644 | Y1566-N1640 HydrophobicContact CE1-CB 4.03Å; Y1566-N1640 WeakPolarHBondContact CE1-O 3.43Å; Y1566-N1640 VanDerWaalsContact CZ-O 3.28Å; Y1566-N1640 PolarHBondContact OH-O 3.23Å; E1636-N1640 WeakPolarHBondContact O-CB 3.32Å; E1636-N1640 VanDerWaalsContact O-CG 3.28Å; E1636-N1640 PolarHBondContact O-N 3.1Å; E1636-N1640 PolarHBondContact O-ND2 3.01Å; S1637-N1640 PolarHBondContact O-N 3.19Å; N1640-T1643 WeakPolarHBondContact CA-OG1 3.36Å; N1640-T1643 PolarHBondContact O-N 3.12Å; N1640-T1643 PolarHBondContact O-OG1 3.14Å; N1640-N1644 PolarHBondContact O-N 2.91Å; N1640-N1644 PolarHBondContact O-ND2 3.39Å |
| 1641 | L | 86.6 | Confident | 82.6 | Confident | 3.4 Ų | 3.4 | 50.3 Ų | 50.3 | 2% | 0.018 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -60.9 | -54.3 | 170.8 | 178 | 82.4 | 0 | 0 | 0 | 110.4 | L1559 L1562 L1563 Y1566 S1637 L1638 L1639 T1643 N1644 L1645 L1659 | L1559-L1641 HydrophobicContact CD1-CD1 4.18Å; L1559-L1641 HydrophobicContact CD1-CD2 3.57Å; L1559-L1641 VanDerWaalsContact CD1-CD2 3.41Å; L1562-L1641 HydrophobicContact CB-CD1 4.15Å; L1562-L1641 HydrophobicContact CB-CD2 4.41Å; L1563-L1641 HydrophobicContact CB-CD1 3.78Å; L1563-L1641 HydrophobicContact CB-CD2 4.21Å; L1563-L1641 HydrophobicContact CD1-CB 4.15Å; L1563-L1641 HydrophobicContact CD1-CD1 4.36Å; L1563-L1641 HydrophobicContact CD1-CD2 4.01Å; L1563-L1641 HydrophobicContact CD2-CB 3.95Å; L1563-L1641 HydrophobicContact CD2-CD2 3.68Å; L1563-L1641 HydrophobicContact CD2-CG 4.31Å; L1563-L1641 HydrophobicContact CG-CD1 4.35Å; L1563-L1641 HydrophobicContact CG-CD2 3.86Å; Y1566-L1641 HydrophobicContact CD1-CB 4.35Å; Y1566-L1641 HydrophobicContact CD1-CD1 4.15Å; Y1566-L1641 HydrophobicContact CD2-CD1 4.42Å; Y1566-L1641 HydrophobicContact CG-CD1 3.84Å; S1637-L1641 WeakPolarHBondContact O-CB 3.36Å; S1637-L1641 PolarHBondContact O-N 3.06Å; L1638-L1641 PolarHBondContact O-N 3.02Å; L1639-L1641 VanDerWaalsContact C-N 3.32Å; L1639-L1641 PolarHBondContact O-N 2.89Å; L1641-T1643 VanDerWaalsContact C-N 3.26Å; L1641-T1643 PolarHBondContact O-N 3.01Å; L1641-T1643 VanDerWaalsContact O-N 3.15Å; L1641-N1644 CarbonylContact O-C 3.55Å; L1641-N1644 PolarHBondContact O-N 3.32Å; L1641-L1645 HydrophobicContact CD1-CD2 3.97Å; L1641-L1645 HydrophobicContact CD1-CG 4.48Å; L1641-L1645 HydrophobicContact CD2-CD1 3.87Å; L1641-L1645 HydrophobicContact CD2-CD2 4.21Å; L1641-L1645 HydrophobicContact CD2-CG 3.88Å; L1641-L1645 HydrophobicContact CG-CD2 4.01Å; L1641-L1645 HydrophobicContact CG-CG 4.27Å; L1641-L1645 WeakPolarHBondContact O-CG 3.43Å; L1641-L1645 PolarHBondContact O-N 3.15Å; L1641-L1659 HydrophobicContact CD2-CD1 4.11Å |
| 1642 | A | 86.1 | Confident | 82.4 | Confident | 3 Ų | 3 | 51 Ų | 51 | 3% | 0.025 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -57.8 | -33.2 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | L1638 L1639 N1644 L1659 L1703 I1705 | L1638-A1642 VanDerWaalsContact O-CB 3.26Å; L1638-A1642 WeakPolarHBondContact O-CB 3.37Å; L1638-A1642 PolarHBondContact O-N 3.02Å; L1639-A1642 PolarHBondContact O-N 3.13Å; L1639-A1642 VanDerWaalsContact O-N 3.14Å; A1642-N1644 VanDerWaalsContact C-N 3.26Å; A1642-N1644 PolarHBondContact O-N 3.19Å; A1642-L1659 HydrophobicContact CB-CD1 4.39Å; A1642-L1659 HydrophobicContact CB-CD2 4.21Å; A1642-L1703 HydrophobicContact CB-CD1 3.94Å; A1642-L1703 HydrophobicContact CB-CD2 4.02Å; A1642-L1703 HydrophobicContact CB-CG 4.35Å; A1642-L1703 WeakPolarHBondContact O-CD2 3.42Å; A1642-I1705 HydrophobicContact CB-CG2 4.28Å; A1642-I1705 WeakPolarHBondContact O-CG2 3.23Å |
| 1643 | T | 84.1 | Confident | 82.1 | Confident | 68.2 Ų | 68.2 | 51.8 Ų | 51.8 | 42% | 0.418 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -68.6 | -22.7 | 175.9 | -18.1 | 0 | 0 | 0 | 0 | 113.3 | L1639 N1640 L1641 L1703 | L1639-T1643 WeakPolarHBondContact O-CB 3.44Å; L1639-T1643 WeakPolarHBondContact O-CG2 3.33Å; L1639-T1643 PolarHBondContact O-N 2.99Å; L1639-T1643 PolarHBondContact O-OG1 3.04Å; N1640-T1643 WeakPolarHBondContact CA-OG1 3.36Å; N1640-T1643 PolarHBondContact O-N 3.12Å; N1640-T1643 PolarHBondContact O-OG1 3.14Å; L1641-T1643 VanDerWaalsContact C-N 3.26Å; L1641-T1643 PolarHBondContact O-N 3.01Å; L1641-T1643 VanDerWaalsContact O-N 3.15Å; T1643-L1703 HydrophobicContact CG2-CD2 3.96Å; T1643-L1703 VanDerWaalsContact OG1-CD2 3.32Å; T1643-L1703 WeakPolarHBondContact OG1-CD2 3.24Å |
| 1644 | N | 83.4 | Confident | 81.9 | Confident | 86.6 Ų | 86.6 | 50.9 Ų | 50.9 | 46% | 0.463 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -118.5 | 2 | -172.1 | -66.5 | -78.5 | 0 | 0 | 0 | 114.1 | Y1566 N1640 L1641 A1642 K1646 | Y1566-N1644 HydrophobicContact CD2-CB 4.2Å; Y1566-N1644 HydrophobicContact CE2-CB 3.45Å; Y1566-N1644 VanDerWaalsContact OH-CG 3.24Å; Y1566-N1644 PolarHBondContact OH-ND2 3.05Å; N1640-N1644 PolarHBondContact O-N 2.91Å; N1640-N1644 PolarHBondContact O-ND2 3.39Å; L1641-N1644 CarbonylContact O-C 3.55Å; L1641-N1644 PolarHBondContact O-N 3.32Å; A1642-N1644 VanDerWaalsContact C-N 3.26Å; A1642-N1644 PolarHBondContact O-N 3.19Å; N1644-K1646 PolarHBondContact O-N 3.32Å |
| 1645 | L | 83.5 | Confident | 81.9 | Confident | 23 Ų | 23 | 49.5 Ų | 49.5 | 12% | 0.12 | 26% | 0.258 | C | S | . | . | trans | -60 | 135.1 | 172.6 | -72.5 | 175.6 | 0 | 0 | 0 | 110.2 | L1562 L1641 D1649 I1650 L1655 L1659 | L1562-L1645 HydrophobicContact CD1-CD2 4.05Å; L1641-L1645 HydrophobicContact CD1-CD2 3.97Å; L1641-L1645 HydrophobicContact CD1-CG 4.48Å; L1641-L1645 HydrophobicContact CD2-CD1 3.87Å; L1641-L1645 HydrophobicContact CD2-CD2 4.21Å; L1641-L1645 HydrophobicContact CD2-CG 3.88Å; L1641-L1645 HydrophobicContact CG-CD2 4.01Å; L1641-L1645 HydrophobicContact CG-CG 4.27Å; L1641-L1645 WeakPolarHBondContact O-CG 3.43Å; L1641-L1645 PolarHBondContact O-N 3.15Å; L1645-D1649 HydrophobicContact CB-CB 4.43Å; L1645-D1649 HydrophobicContact CD2-CB 4.12Å; L1645-I1650 HydrophobicContact CB-CD1 4.04Å; L1645-I1650 HydrophobicContact CB-CG1 3.67Å; L1645-I1650 HydrophobicContact CD1-CG1 4.16Å; L1645-L1655 HydrophobicContact CD1-CD2 4.27Å; L1645-L1659 HydrophobicContact CD1-CD1 4.12Å | ||
| 1646 | K | 81.8 | Confident | 81.9 | Confident | 128 Ų | 128 | 49.7 Ų | 49.7 | 56% | 0.557 | 26% | 0.26 | S | S | * | . | trans | -73.3 | 154.8 | 173.6 | -60.9 | 175.5 | -177.7 | 175.5 | 0 | 109.6 | N1644 E1648 D1649 I1650 | N1644-K1646 PolarHBondContact O-N 3.32Å; K1646-E1648 HydrophobicContact CB-CB 4.49Å; K1646-E1648 HydrophobicContact CB-CG 3.66Å; K1646-E1648 HydrophobicContact CD-CG 3.95Å; K1646-E1648 WeakPolarHBondContact CD-OE1 3.31Å; K1646-E1648 IonicContact NZ-OE1 3.72Å; K1646-E1648 PolarHBondContact NZ-OE1 3.45Å; K1646-E1648 PolarHBondContact O-N 2.96Å; K1646-E1648 VanDerWaalsContact O-N 3.12Å; K1646-D1649 VanDerWaalsContact CB-OD2 3.32Å; K1646-D1649 WeakPolarHBondContact CB-OD2 3.39Å; K1646-D1649 PolarHBondContact N-OD2 2.85Å; K1646-D1649 WeakPolarHBondContact O-CB 3.37Å; K1646-D1649 PolarHBondContact O-N 3.06Å; K1646-I1650 WeakPolarHBondContact O-CG1 3.35Å; K1646-I1650 PolarHBondContact O-N 3.16Å | ||
| 1647 | P | 76.6 | Confident | 81.8 | Confident | 81.4 Ų | 81.4 | 46.2 Ų | 46.2 | 53% | 0.529 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -54.8 | -32.9 | 174.2 | -16.3 | 22 | 0 | 0 | 0 | 113.1 | D1649 I1650 N1651 | P1647-D1649 VanDerWaalsContact C-N 3.33Å; P1647-D1649 PolarHBondContact O-N 2.88Å; P1647-I1650 PolarHBondContact O-N 3.31Å; P1647-N1651 VanDerWaalsContact O-CB 3.29Å; P1647-N1651 WeakPolarHBondContact O-CB 3.34Å; P1647-N1651 VanDerWaalsContact O-CG 3.28Å; P1647-N1651 PolarHBondContact O-N 3.26Å; P1647-N1651 VanDerWaalsContact O-N 3.12Å; P1647-N1651 PolarHBondContact O-ND2 3.2Å; P1647-N1651 PolarHBondContact O-OD1 3.35Å |
| 1648 | E | 78.3 | Confident | 81.6 | Confident | 143.6 Ų | 143.6 | 46.2 Ų | 46.2 | 67% | 0.671 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -64.6 | -36.9 | 174.9 | -51 | 171.2 | -164.2 | 0 | 0 | 112.9 | K1646 | K1646-E1648 HydrophobicContact CB-CB 4.49Å; K1646-E1648 HydrophobicContact CB-CG 3.66Å; K1646-E1648 HydrophobicContact CD-CG 3.95Å; K1646-E1648 WeakPolarHBondContact CD-OE1 3.31Å; K1646-E1648 IonicContact NZ-OE1 3.72Å; K1646-E1648 PolarHBondContact NZ-OE1 3.45Å; K1646-E1648 PolarHBondContact O-N 2.96Å; K1646-E1648 VanDerWaalsContact O-N 3.12Å |
| 1649 | D | 80.9 | Confident | 81.5 | Confident | 21.6 Ų | 21.6 | 46.3 Ų | 46.3 | 12% | 0.116 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -74.4 | -44.4 | 178.2 | -61.1 | -50.6 | 0 | 0 | 0 | 110.6 | L1562 L1645 K1646 P1647 N1651 R1652 L1655 | L1562-D1649 HydrophobicContact CD1-CB 4.41Å; L1645-D1649 HydrophobicContact CB-CB 4.43Å; L1645-D1649 HydrophobicContact CD2-CB 4.12Å; K1646-D1649 VanDerWaalsContact CB-OD2 3.32Å; K1646-D1649 WeakPolarHBondContact CB-OD2 3.39Å; K1646-D1649 PolarHBondContact N-OD2 2.85Å; K1646-D1649 WeakPolarHBondContact O-CB 3.37Å; K1646-D1649 PolarHBondContact O-N 3.06Å; P1647-D1649 VanDerWaalsContact C-N 3.33Å; P1647-D1649 PolarHBondContact O-N 2.88Å; D1649-N1651 VanDerWaalsContact C-N 3.26Å; D1649-N1651 PolarHBondContact O-N 3.25Å; D1649-R1652 VanDerWaalsContact O-CB 3.27Å; D1649-R1652 WeakPolarHBondContact O-CB 3.3Å; D1649-R1652 WeakPolarHBondContact O-CG 3.24Å; D1649-R1652 PolarHBondContact O-N 3.4Å; D1649-R1652 VanDerWaalsContact O-N 3.08Å; D1649-R1652 IonicContact OD1-CZ 3.38Å; D1649-R1652 VanDerWaalsContact OD1-CZ 3.31Å; D1649-R1652 IonicContact OD1-NE 3.81Å; D1649-R1652 PolarHBondContact OD1-NE 3.32Å; D1649-R1652 IonicContact OD1-NH1 3.2Å; D1649-R1652 PolarHBondContact OD1-NH1 3.12Å; D1649-R1652 IonicContact OD1-NH2 3.26Å; D1649-R1652 PolarHBondContact OD1-NH2 3.22Å; D1649-L1655 HydrophobicContact CB-CD2 4.42Å; D1649-L1655 WeakPolarHBondContact O-CD2 3.38Å |
| 1650 | I | 80 | Confident | 81.4 | Confident | 15.4 Ų | 15.4 | 45.3 Ų | 45.3 | 8% | 0.079 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -60.5 | -35.1 | 178.7 | -61.9 | 167.6 | 0 | 0 | 0 | 111.3 | L1645 K1646 P1647 R1652 P1704 I1705 P1707 C1713 | L1645-I1650 HydrophobicContact CB-CD1 4.04Å; L1645-I1650 HydrophobicContact CB-CG1 3.67Å; L1645-I1650 HydrophobicContact CD1-CG1 4.16Å; K1646-I1650 WeakPolarHBondContact O-CG1 3.35Å; K1646-I1650 PolarHBondContact O-N 3.16Å; P1647-I1650 PolarHBondContact O-N 3.31Å; I1650-R1652 VanDerWaalsContact C-N 3.25Å; I1650-R1652 PolarHBondContact O-N 2.95Å; I1650-P1704 WeakPolarHBondContact CD1-O 3.32Å; I1650-I1705 HydrophobicContact CD1-CG2 4.39Å; I1650-P1707 HydrophobicContact CG2-CB 4.25Å; I1650-P1707 HydrophobicContact CG2-CG 4.27Å; I1650-C1713 HydrophobicContact CG2-CB 4.39Å; I1650-C1713 VanDerWaalsContact CG2-SG 3.58Å; I1650-C1713 WeakPolarHBondContact CG2-SG 3.17Å |
| 1651 | N | 77.3 | Confident | 81.2 | Confident | 61.8 Ų | 61.8 | 44.4 Ų | 44.4 | 33% | 0.33 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.2 | -1.2 | 178 | -77.7 | -46.5 | 0 | 0 | 0 | 114.1 | P1647 D1649 P1707 G1711 C1713 K1765 | P1647-N1651 VanDerWaalsContact O-CB 3.29Å; P1647-N1651 WeakPolarHBondContact O-CB 3.34Å; P1647-N1651 VanDerWaalsContact O-CG 3.28Å; P1647-N1651 PolarHBondContact O-N 3.26Å; P1647-N1651 VanDerWaalsContact O-N 3.12Å; P1647-N1651 PolarHBondContact O-ND2 3.2Å; P1647-N1651 PolarHBondContact O-OD1 3.35Å; D1649-N1651 VanDerWaalsContact C-N 3.26Å; D1649-N1651 PolarHBondContact O-N 3.25Å; N1651-P1707 VanDerWaalsContact OD1-CB 3.28Å; N1651-P1707 WeakPolarHBondContact OD1-CB 3.44Å; N1651-P1707 WeakPolarHBondContact OD1-CG 3.37Å; N1651-G1711 PolarHBondContact ND2-O 3.34Å; N1651-C1713 PolarHBondContact ND2-SG 2.9Å; N1651-C1713 VanDerWaalsContact ND2-SG 3.44Å; N1651-K1765 VanDerWaalsContact C-NZ 3.28Å; N1651-K1765 PolarHBondContact O-NZ 3.37Å; N1651-K1765 PolarHBondContact OD1-NZ 3.31Å; N1651-K1765 VanDerWaalsContact OD1-NZ 3.16Å |
| 1652 | R | 78.8 | Confident | 81 | Confident | 85.4 Ų | 85.4 | 45.1 Ų | 45.1 | 32% | 0.322 | 25% | 0.246 | S | C | . | . | S | Bend | trans | -70.1 | 136.9 | 176.9 | -83.6 | -171.6 | -175 | 132.6 | 8.6 | 111.4 | D1649 I1650 G1654 L1655 | D1649-R1652 VanDerWaalsContact O-CB 3.27Å; D1649-R1652 WeakPolarHBondContact O-CB 3.3Å; D1649-R1652 WeakPolarHBondContact O-CG 3.24Å; D1649-R1652 PolarHBondContact O-N 3.4Å; D1649-R1652 VanDerWaalsContact O-N 3.08Å; D1649-R1652 IonicContact OD1-CZ 3.38Å; D1649-R1652 VanDerWaalsContact OD1-CZ 3.31Å; D1649-R1652 IonicContact OD1-NE 3.81Å; D1649-R1652 PolarHBondContact OD1-NE 3.32Å; D1649-R1652 IonicContact OD1-NH1 3.2Å; D1649-R1652 PolarHBondContact OD1-NH1 3.12Å; D1649-R1652 IonicContact OD1-NH2 3.26Å; D1649-R1652 PolarHBondContact OD1-NH2 3.22Å; I1650-R1652 VanDerWaalsContact C-N 3.25Å; I1650-R1652 PolarHBondContact O-N 2.95Å; R1652-G1654 PolarHBondContact O-N 3.15Å; R1652-L1655 HydrophobicContact CB-CB 4.4Å; R1652-L1655 PolarHBondContact O-N 3.11Å |
| 1653 | P | 76.6 | Confident | 81 | Confident | 81.4 Ų | 81.4 | 45 Ų | 45 | 53% | 0.529 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | 135.4 | -179.2 | -6 | 8 | 0 | 0 | 0 | 112.4 | S1555 L1655 D1767 L1771 | S1555-P1653 PolarHBondContact OG-O 2.93Å; P1653-L1655 VanDerWaalsContact C-N 3.31Å; P1653-L1655 PolarHBondContact O-N 2.91Å; P1653-L1655 VanDerWaalsContact O-N 3.11Å; P1653-D1767 CarbonylContact C-O 3.54Å; P1653-D1767 VanDerWaalsContact CA-O 3.22Å; P1653-D1767 WeakPolarHBondContact CA-O 3.33Å; P1653-D1767 HydrophobicContact CB-CB 4.33Å; P1653-D1767 HydrophobicContact CG-CB 4.45Å; P1653-L1771 HydrophobicContact CB-CD1 3.98Å; P1653-L1771 HydrophobicContact CB-CG 3.98Å; P1653-L1771 VanDerWaalsContact O-CD1 3.25Å; P1653-L1771 WeakPolarHBondContact O-CD1 3.34Å |
| 1654 | G | 76.6 | Confident | 80.8 | Confident | 8.8 Ų | 8.8 | 43.1 Ų | 43.1 | 9% | 0.091 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 74.5 | -12.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 116.8 | R1652 L1656 S1657 V1658 D1767 A1768 Q1770 | R1652-G1654 PolarHBondContact O-N 3.15Å; G1654-L1656 VanDerWaalsContact C-N 3.33Å; G1654-L1656 PolarHBondContact O-N 3.1Å; G1654-S1657 WeakPolarHBondContact O-CB 3.32Å; G1654-S1657 PolarHBondContact O-N 3.04Å; G1654-S1657 VanDerWaalsContact O-N 3.15Å; G1654-V1658 WeakPolarHBondContact O-CG2 3.49Å; G1654-V1658 PolarHBondContact O-N 3.07Å; G1654-V1658 VanDerWaalsContact O-N 3.09Å; G1654-D1767 PolarHBondContact N-O 2.81Å; G1654-A1768 CarbonylContact C-O 3.49Å; G1654-A1768 WeakPolarHBondContact CA-O 3.32Å; G1654-Q1770 VanDerWaalsContact CA-O 3.23Å; G1654-Q1770 WeakPolarHBondContact CA-O 3.4Å; G1654-Q1770 PolarHBondContact N-O 3.31Å |
| 1655 | L | 82.2 | Confident | 80.5 | Confident | 4.8 Ų | 4.8 | 41.2 Ų | 41.2 | 3% | 0.025 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -61.3 | -41.9 | -174.9 | -176.8 | 65.9 | 0 | 0 | 0 | 112.1 | I1558 L1559 L1562 L1645 D1649 R1652 P1653 S1657 V1658 L1659 | I1558-L1655 HydrophobicContact CG2-CD1 4.23Å; L1559-L1655 HydrophobicContact CB-CD1 4.17Å; L1559-L1655 HydrophobicContact CD1-CD1 4.27Å; L1562-L1655 HydrophobicContact CD1-CD1 4.06Å; L1562-L1655 HydrophobicContact CD1-CD2 4.19Å; L1645-L1655 HydrophobicContact CD1-CD2 4.27Å; D1649-L1655 HydrophobicContact CB-CD2 4.42Å; D1649-L1655 WeakPolarHBondContact O-CD2 3.38Å; R1652-L1655 HydrophobicContact CB-CB 4.4Å; R1652-L1655 PolarHBondContact O-N 3.11Å; P1653-L1655 VanDerWaalsContact C-N 3.31Å; P1653-L1655 PolarHBondContact O-N 2.91Å; P1653-L1655 VanDerWaalsContact O-N 3.11Å; L1655-S1657 VanDerWaalsContact C-N 3.32Å; L1655-S1657 PolarHBondContact O-N 3.35Å; L1655-V1658 PolarHBondContact O-N 2.98Å; L1655-L1659 VanDerWaalsContact O-CB 3.29Å; L1655-L1659 WeakPolarHBondContact O-CB 3.4Å; L1655-L1659 PolarHBondContact O-N 3.21Å |
| 1656 | L | 83.2 | Confident | 80.3 | Confident | 18.2 Ų | 18.2 | 40.7 Ų | 40.7 | 10% | 0.095 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -62.7 | -41.6 | 178 | -177.5 | 62.1 | 0 | 0 | 0 | 111.3 | G1654 V1658 L1659 M1660 I1705 F1706 I1764 A1768 F1769 | G1654-L1656 VanDerWaalsContact C-N 3.33Å; G1654-L1656 PolarHBondContact O-N 3.1Å; L1656-V1658 PolarHBondContact O-N 3.25Å; L1656-L1659 HydrophobicContact CD1-CD2 4.34Å; L1656-L1659 PolarHBondContact O-N 3.23Å; L1656-M1660 HydrophobicContact CD1-CE 3.63Å; L1656-M1660 VanDerWaalsContact CD1-CE 3.49Å; L1656-M1660 HydrophobicContact CD1-CG 4.37Å; L1656-M1660 HydrophobicContact CG-CE 4.49Å; L1656-M1660 VanDerWaalsContact O-CG 3.29Å; L1656-M1660 WeakPolarHBondContact O-CG 3.32Å; L1656-M1660 PolarHBondContact O-N 3.07Å; L1656-I1705 HydrophobicContact CD1-CD1 4.33Å; L1656-I1705 HydrophobicContact CD1-CG1 4.45Å; L1656-I1705 HydrophobicContact CD1-CG2 3.8Å; L1656-I1705 WeakPolarHBondContact CD1-O 3.48Å; L1656-I1705 HydrophobicContact CD2-CG2 3.87Å; L1656-I1705 HydrophobicContact CG-CG2 4.48Å; L1656-F1706 HydrophobicContact CD2-CD1 4.22Å; L1656-I1764 HydrophobicContact CD2-CG2 4.45Å; L1656-A1768 HydrophobicContact CB-CB 4.22Å; L1656-A1768 HydrophobicContact CD2-CB 4.21Å; L1656-F1769 HydrophobicContact CD2-CE1 4.02Å; L1656-F1769 HydrophobicContact CD2-CE2 4.33Å; L1656-F1769 HydrophobicContact CD2-CZ 3.81Å; L1656-F1769 HydrophobicContact CG-CE1 4.22Å; L1656-F1769 HydrophobicContact CG-CZ 4.42Å |
| 1657 | S | 80.1 | Confident | 80.1 | Confident | 29.4 Ų | 29.4 | 34.7 Ų | 34.7 | 21% | 0.206 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -60.6 | -47.5 | 176.1 | -178.2 | 0 | 0 | 0 | 0 | 112 | G1654 L1655 L1659 M1660 S1661 A1768 F1769 | G1654-S1657 WeakPolarHBondContact O-CB 3.32Å; G1654-S1657 PolarHBondContact O-N 3.04Å; G1654-S1657 VanDerWaalsContact O-N 3.15Å; L1655-S1657 VanDerWaalsContact C-N 3.32Å; L1655-S1657 PolarHBondContact O-N 3.35Å; S1657-L1659 VanDerWaalsContact C-N 3.33Å; S1657-L1659 PolarHBondContact O-N 3.24Å; S1657-M1660 PolarHBondContact O-N 3.25Å; S1657-S1661 VanDerWaalsContact O-CB 3.29Å; S1657-S1661 WeakPolarHBondContact O-CB 3.43Å; S1657-S1661 PolarHBondContact O-N 2.98Å; S1657-S1661 PolarHBondContact O-OG 3.14Å; S1657-S1661 VanDerWaalsContact O-OG 3.06Å; S1657-A1768 PolarHBondContact N-O 3.11Å; S1657-F1769 WeakPolarHBondContact CB-O 3.48Å |
| 1658 | V | 79.8 | Confident | 79.8 | Confident | 9.4 Ų | 9.4 | 34.8 Ų | 34.8 | 6% | 0.057 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -64.6 | -40.3 | 178.3 | 175.2 | 0 | 0 | 0 | 0 | 111.2 | S1555 E1556 L1559 G1654 L1655 L1656 M1660 S1661 S1662 L1771 | S1555-V1658 VanDerWaalsContact CB-CG2 3.4Å; S1555-V1658 VanDerWaalsContact OG-CG2 3.32Å; S1555-V1658 WeakPolarHBondContact OG-CG2 3.32Å; E1556-V1658 HydrophobicContact CB-CG1 4.43Å; E1556-V1658 HydrophobicContact CG-CG1 3.93Å; E1556-V1658 HydrophobicContact CG-CG2 4.11Å; L1559-V1658 HydrophobicContact CB-CG1 3.98Å; L1559-V1658 HydrophobicContact CD2-CG1 3.66Å; L1559-V1658 HydrophobicContact CG-CG1 4.43Å; G1654-V1658 WeakPolarHBondContact O-CG2 3.49Å; G1654-V1658 PolarHBondContact O-N 3.07Å; G1654-V1658 VanDerWaalsContact O-N 3.09Å; L1655-V1658 PolarHBondContact O-N 2.98Å; L1656-V1658 PolarHBondContact O-N 3.25Å; V1658-M1660 VanDerWaalsContact C-N 3.34Å; V1658-M1660 PolarHBondContact O-N 2.91Å; V1658-S1661 PolarHBondContact O-N 3.01Å; V1658-S1662 VanDerWaalsContact O-CB 3.3Å; V1658-S1662 WeakPolarHBondContact O-CB 3.3Å; V1658-S1662 PolarHBondContact O-N 3.19Å; V1658-S1662 PolarHBondContact O-OG 3.16Å; V1658-L1771 HydrophobicContact CG2-CD2 3.97Å |
| 1659 | L | 84.9 | Confident | 79 | Confident | 4 Ų | 4 | 31.8 Ų | 31.8 | 2% | 0.021 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -61.9 | -44.8 | 176.7 | -178 | 90.7 | 0 | 0 | 0 | 111.4 | L1559 L1638 L1641 A1642 L1645 L1655 L1656 S1657 S1662 F1663 I1705 | L1559-L1659 HydrophobicContact CD1-CD1 4.29Å; L1559-L1659 HydrophobicContact CD2-CB 4.42Å; L1638-L1659 HydrophobicContact CB-CD1 4.36Å; L1638-L1659 HydrophobicContact CD2-CD1 4.12Å; L1641-L1659 HydrophobicContact CD2-CD1 4.11Å; A1642-L1659 HydrophobicContact CB-CD1 4.39Å; A1642-L1659 HydrophobicContact CB-CD2 4.21Å; L1645-L1659 HydrophobicContact CD1-CD1 4.12Å; L1655-L1659 VanDerWaalsContact O-CB 3.29Å; L1655-L1659 WeakPolarHBondContact O-CB 3.4Å; L1655-L1659 PolarHBondContact O-N 3.21Å; L1656-L1659 HydrophobicContact CD1-CD2 4.34Å; L1656-L1659 PolarHBondContact O-N 3.23Å; S1657-L1659 VanDerWaalsContact C-N 3.33Å; S1657-L1659 PolarHBondContact O-N 3.24Å; L1659-S1662 WeakPolarHBondContact O-CB 3.46Å; L1659-S1662 PolarHBondContact O-N 3.33Å; L1659-F1663 HydrophobicContact CD1-CD2 4.37Å; L1659-F1663 HydrophobicContact CD1-CE2 3.77Å; L1659-F1663 HydrophobicContact CD1-CZ 4.19Å; L1659-F1663 HydrophobicContact CD2-CD2 4.02Å; L1659-F1663 HydrophobicContact CD2-CE2 3.94Å; L1659-F1663 VanDerWaalsContact CD2-CE2 3.41Å; L1659-F1663 HydrophobicContact CD2-CZ 4.39Å; L1659-F1663 HydrophobicContact CG-CD2 4.24Å; L1659-F1663 HydrophobicContact CG-CE2 3.81Å; L1659-F1663 HydrophobicContact CG-CZ 4.47Å; L1659-F1663 VanDerWaalsContact O-CD2 3.25Å; L1659-F1663 WeakPolarHBondContact O-CD2 3.34Å; L1659-F1663 PolarHBondContact O-N 3.08Å; L1659-F1663 VanDerWaalsContact O-N 3.07Å; L1659-I1705 HydrophobicContact CD2-CD1 4.22Å |
| 1660 | M | 84.8 | Confident | 77.9 | Confident | 1 Ų | 1 | 36.1 Ų | 36.1 | 1% | 0.005 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -65.7 | -43 | 175.6 | -66.1 | -58.8 | 140.4 | 0 | 0 | 112.2 | L1656 S1657 V1658 S1662 F1663 D1664 L1700 I1705 F1706 S1781 L1784 | L1656-M1660 HydrophobicContact CD1-CE 3.63Å; L1656-M1660 VanDerWaalsContact CD1-CE 3.49Å; L1656-M1660 HydrophobicContact CD1-CG 4.37Å; L1656-M1660 HydrophobicContact CG-CE 4.49Å; L1656-M1660 VanDerWaalsContact O-CG 3.29Å; L1656-M1660 WeakPolarHBondContact O-CG 3.32Å; L1656-M1660 PolarHBondContact O-N 3.07Å; S1657-M1660 PolarHBondContact O-N 3.25Å; V1658-M1660 VanDerWaalsContact C-N 3.34Å; V1658-M1660 PolarHBondContact O-N 2.91Å; M1660-S1662 VanDerWaalsContact C-N 3.27Å; M1660-S1662 PolarHBondContact O-N 3.11Å; M1660-F1663 HydrophobicContact CE-CD2 3.93Å; M1660-F1663 HydrophobicContact CE-CE2 4.02Å; M1660-F1663 WeakPolarHBondContact O-CB 3.35Å; M1660-F1663 PolarHBondContact O-N 3.18Å; M1660-F1663 HydrophobicContact SD-CD2 4.35Å; M1660-D1664 PolarHBondContact O-N 3.09Å; M1660-L1700 HydrophobicContact CE-CD1 4.44Å; M1660-L1700 HydrophobicContact CE-CD2 3.88Å; M1660-L1700 HydrophobicContact SD-CD1 4.26Å; M1660-L1700 HydrophobicContact SD-CD2 4.37Å; M1660-I1705 HydrophobicContact CE-CD1 3.86Å; M1660-F1706 HydrophobicContact CE-CE1 3.96Å; M1660-F1706 HydrophobicContact CE-CZ 3.85Å; M1660-S1781 PolarHBondContact O-OG 3.33Å; M1660-L1784 HydrophobicContact CB-CD1 4.25Å; M1660-L1784 HydrophobicContact CB-CG 4.45Å; M1660-L1784 HydrophobicContact CE-CD2 3.92Å; M1660-L1784 HydrophobicContact CG-CD1 4.2Å; M1660-L1784 HydrophobicContact CG-CD2 4.14Å; M1660-L1784 HydrophobicContact CG-CG 4.25Å; M1660-L1784 HydrophobicContact SD-CD2 3.96Å; M1660-L1784 HydrophobicContact SD-CG 4.39Å |
| 1661 | S | 80.2 | Confident | 76.2 | Confident | 55 Ų | 55 | 40.4 Ų | 40.4 | 39% | 0.385 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -61.8 | -36.1 | 175 | -59.1 | 0 | 0 | 0 | 0 | 111.9 | S1657 V1658 D1664 A1665 | S1657-S1661 VanDerWaalsContact O-CB 3.29Å; S1657-S1661 WeakPolarHBondContact O-CB 3.43Å; S1657-S1661 PolarHBondContact O-N 2.98Å; S1657-S1661 PolarHBondContact O-OG 3.14Å; S1657-S1661 VanDerWaalsContact O-OG 3.06Å; V1658-S1661 PolarHBondContact O-N 3.01Å; S1661-D1664 PolarHBondContact O-N 3.1Å; S1661-A1665 VanDerWaalsContact O-CB 3.28Å; S1661-A1665 WeakPolarHBondContact O-CB 3.42Å; S1661-A1665 PolarHBondContact O-N 3.11Å |
| 1662 | S | 81.8 | Confident | 74.4 | Confident | 17.4 Ų | 17.4 | 41.1 Ų | 41.1 | 12% | 0.122 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -68.8 | -38.3 | 176.2 | -59.3 | 0 | 0 | 0 | 0 | 111.7 | L1559 V1658 L1659 M1660 A1665 C1666 | L1559-S1662 WeakPolarHBondContact CD2-OG 3.41Å; V1658-S1662 VanDerWaalsContact O-CB 3.3Å; V1658-S1662 WeakPolarHBondContact O-CB 3.3Å; V1658-S1662 PolarHBondContact O-N 3.19Å; V1658-S1662 PolarHBondContact O-OG 3.16Å; L1659-S1662 WeakPolarHBondContact O-CB 3.46Å; L1659-S1662 PolarHBondContact O-N 3.33Å; M1660-S1662 VanDerWaalsContact C-N 3.27Å; M1660-S1662 PolarHBondContact O-N 3.11Å; S1662-A1665 PolarHBondContact O-N 3.08Å; S1662-C1666 WeakPolarHBondContact O-CB 3.28Å; S1662-C1666 PolarHBondContact O-N 3.24Å; S1662-C1666 PolarHBondContact O-SG 3.11Å |
| 1663 | F | 85.5 | Confident | 72.3 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -63.4 | -44 | 171.6 | -77.7 | -54.5 | 0 | 0 | 0 | 112.4 | I1635 L1638 L1639 L1659 M1660 A1665 C1666 L1667 L1696 L1700 L1783 | I1635-F1663 HydrophobicContact CG2-CD1 4.25Å; I1635-F1663 HydrophobicContact CG2-CE1 4.21Å; L1638-F1663 HydrophobicContact CB-CD1 3.95Å; L1638-F1663 HydrophobicContact CB-CE1 3.28Å; L1638-F1663 HydrophobicContact CB-CE2 4.48Å; L1638-F1663 HydrophobicContact CB-CZ 3.61Å; L1638-F1663 HydrophobicContact CD1-CD1 3.77Å; L1638-F1663 HydrophobicContact CD1-CE1 4.01Å; L1638-F1663 HydrophobicContact CD1-CG 4.28Å; L1638-F1663 HydrophobicContact CG-CD1 4.36Å; L1638-F1663 HydrophobicContact CG-CE1 4.3Å; L1639-F1663 HydrophobicContact CD2-CE1 4.2Å; L1639-F1663 HydrophobicContact CD2-CZ 3.93Å; L1639-F1663 HydrophobicContact CG-CE1 3.98Å; L1639-F1663 HydrophobicContact CG-CZ 4.12Å; L1659-F1663 HydrophobicContact CD1-CD2 4.37Å; L1659-F1663 HydrophobicContact CD1-CE2 3.77Å; L1659-F1663 HydrophobicContact CD1-CZ 4.19Å; L1659-F1663 HydrophobicContact CD2-CD2 4.02Å; L1659-F1663 HydrophobicContact CD2-CE2 3.94Å; L1659-F1663 VanDerWaalsContact CD2-CE2 3.41Å; L1659-F1663 HydrophobicContact CD2-CZ 4.39Å; L1659-F1663 HydrophobicContact CG-CD2 4.24Å; L1659-F1663 HydrophobicContact CG-CE2 3.81Å; L1659-F1663 HydrophobicContact CG-CZ 4.47Å; L1659-F1663 VanDerWaalsContact O-CD2 3.25Å; L1659-F1663 WeakPolarHBondContact O-CD2 3.34Å; L1659-F1663 PolarHBondContact O-N 3.08Å; L1659-F1663 VanDerWaalsContact O-N 3.07Å; M1660-F1663 HydrophobicContact CE-CD2 3.93Å; M1660-F1663 HydrophobicContact CE-CE2 4.02Å; M1660-F1663 WeakPolarHBondContact O-CB 3.35Å; M1660-F1663 PolarHBondContact O-N 3.18Å; M1660-F1663 HydrophobicContact SD-CD2 4.35Å; F1663-A1665 VanDerWaalsContact C-N 3.34Å; F1663-C1666 PolarHBondContact O-N 3.12Å; F1663-L1667 WeakPolarHBondContact O-CG 3.4Å; F1663-L1667 PolarHBondContact O-N 3.19Å; F1663-L1696 HydrophobicContact CB-CD2 3.94Å; F1663-L1696 HydrophobicContact CD1-CD1 3.55Å; F1663-L1696 HydrophobicContact CD1-CD2 4.07Å; F1663-L1696 HydrophobicContact CD1-CG 4.45Å; F1663-L1696 HydrophobicContact CD2-CD1 4.32Å; F1663-L1696 HydrophobicContact CE1-CD1 3.52Å; F1663-L1696 VanDerWaalsContact CE1-CD1 3.49Å; F1663-L1696 HydrophobicContact CE2-CD1 4.31Å; F1663-L1696 HydrophobicContact CG-CD1 3.98Å; F1663-L1696 HydrophobicContact CG-CD2 4.09Å; F1663-L1696 HydrophobicContact CZ-CD1 3.94Å; F1663-L1700 HydrophobicContact CD2-CD2 4.4Å; F1663-L1700 HydrophobicContact CE2-CD2 3.92Å; F1663-L1700 HydrophobicContact CZ-CD2 4.44Å; F1663-L1783 HydrophobicContact CB-CD1 3.66Å |
| 1664 | D | 81 | Confident | 70.4 | Confident | 28 Ų | 28 | 42.5 Ų | 42.5 | 15% | 0.15 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -62.1 | -43 | 174.5 | -90.7 | -29.8 | 0 | 0 | 0 | 111.6 | M1660 S1661 C1666 L1667 T1668 R1693 S1781 T1782 L1783 | M1660-D1664 PolarHBondContact O-N 3.09Å; S1661-D1664 PolarHBondContact O-N 3.1Å; D1664-C1666 VanDerWaalsContact C-N 3.34Å; D1664-C1666 PolarHBondContact O-N 3.15Å; D1664-L1667 PolarHBondContact O-N 2.87Å; D1664-L1667 VanDerWaalsContact O-N 3.16Å; D1664-T1668 WeakPolarHBondContact O-CB 3.4Å; D1664-T1668 WeakPolarHBondContact O-CG2 3.36Å; D1664-T1668 PolarHBondContact O-N 3.11Å; D1664-T1668 PolarHBondContact O-OG1 3.19Å; D1664-R1693 IonicContact OD1-CZ 3.07Å; D1664-R1693 IonicContact OD1-NH1 3.63Å; D1664-R1693 PolarHBondContact OD1-NH1 3.16Å; D1664-R1693 VanDerWaalsContact OD1-NH1 3.12Å; D1664-R1693 IonicContact OD1-NH2 2.73Å; D1664-R1693 PolarHBondContact OD1-NH2 3.08Å; D1664-S1781 WeakPolarHBondContact OD2-CA 3.13Å; D1664-S1781 VanDerWaalsContact OD2-CB 3.28Å; D1664-S1781 WeakPolarHBondContact OD2-CB 3.26Å; D1664-S1781 PolarHBondContact OD2-OG 3.14Å; D1664-T1782 PolarHBondContact OD1-OG1 2.88Å; D1664-T1782 PolarHBondContact OD2-N 2.98Å; D1664-T1782 PolarHBondContact OD2-OG1 3.14Å; D1664-L1783 HydrophobicContact CB-CD1 4.38Å; D1664-L1783 WeakPolarHBondContact OD1-CD1 3.18Å; D1664-L1783 VanDerWaalsContact OD1-CG 3.23Å; D1664-L1783 WeakPolarHBondContact OD1-CG 3.32Å |
| 1665 | A | 75.7 | Confident | 68.6 | Low | 47.6 Ų | 47.6 | 44.8 Ų | 44.8 | 39% | 0.393 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -60.7 | -43.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | S1661 S1662 F1663 L1667 T1668 T1669 | S1661-A1665 VanDerWaalsContact O-CB 3.28Å; S1661-A1665 WeakPolarHBondContact O-CB 3.42Å; S1661-A1665 PolarHBondContact O-N 3.11Å; S1662-A1665 PolarHBondContact O-N 3.08Å; F1663-A1665 VanDerWaalsContact C-N 3.34Å; A1665-L1667 VanDerWaalsContact C-N 3.32Å; A1665-L1667 PolarHBondContact O-N 3.06Å; A1665-T1668 VanDerWaalsContact CA-OG1 3.29Å; A1665-T1668 WeakPolarHBondContact CA-OG1 3.34Å; A1665-T1668 PolarHBondContact O-N 3.27Å; A1665-T1668 VanDerWaalsContact O-N 3.12Å; A1665-T1668 PolarHBondContact O-OG1 3.1Å; A1665-T1669 WeakPolarHBondContact O-CB 3.37Å; A1665-T1669 WeakPolarHBondContact O-CG2 3.26Å; A1665-T1669 PolarHBondContact O-N 3.31Å; A1665-T1669 PolarHBondContact O-OG1 3.12Å |
| 1666 | C | 79.2 | Confident | 66.4 | Low | 11.6 Ų | 11.6 | 50.4 Ų | 50.4 | 8% | 0.078 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -62.4 | -41.5 | 174.4 | -69.7 | 0 | 0 | 0 | 0 | 111.7 | I1633 I1635 S1662 F1663 D1664 T1668 T1669 Y1670 | I1633-C1666 PolarHBondContact O-SG 2.91Å; I1635-C1666 HydrophobicContact CD1-CB 4.41Å; I1635-C1666 HydrophobicContact CG1-CB 3.62Å; I1635-C1666 VanDerWaalsContact CG1-CB 3.48Å; S1662-C1666 WeakPolarHBondContact O-CB 3.28Å; S1662-C1666 PolarHBondContact O-N 3.24Å; S1662-C1666 PolarHBondContact O-SG 3.11Å; F1663-C1666 PolarHBondContact O-N 3.12Å; D1664-C1666 VanDerWaalsContact C-N 3.34Å; D1664-C1666 PolarHBondContact O-N 3.15Å; C1666-T1668 VanDerWaalsContact C-N 3.33Å; C1666-T1668 PolarHBondContact O-N 3.23Å; C1666-T1669 WeakPolarHBondContact CA-OG1 3.39Å; C1666-T1669 PolarHBondContact O-N 3.41Å; C1666-T1669 PolarHBondContact O-OG1 3.35Å; C1666-Y1670 WeakPolarHBondContact O-CD2 3.4Å; C1666-Y1670 WeakPolarHBondContact O-CE2 3.24Å; C1666-Y1670 PolarHBondContact O-N 2.99Å |
| 1667 | L | 77.6 | Confident | 64.1 | Low | 3.6 Ų | 3.6 | 55.2 Ų | 55.2 | 2% | 0.019 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -66.8 | -35.8 | 177.4 | -74.5 | 172.4 | 0 | 0 | 0 | 112.9 | I1635 F1663 D1664 A1665 Y1670 R1693 L1696 L1783 | I1635-L1667 HydrophobicContact CD1-CD2 3.63Å; I1635-L1667 HydrophobicContact CD1-CG 4.06Å; F1663-L1667 WeakPolarHBondContact O-CG 3.4Å; F1663-L1667 PolarHBondContact O-N 3.19Å; D1664-L1667 PolarHBondContact O-N 2.87Å; D1664-L1667 VanDerWaalsContact O-N 3.16Å; A1665-L1667 VanDerWaalsContact C-N 3.32Å; A1665-L1667 PolarHBondContact O-N 3.06Å; L1667-Y1670 WeakPolarHBondContact O-CB 3.47Å; L1667-Y1670 PolarHBondContact O-N 3Å; L1667-R1693 HydrophobicContact CD1-CB 4.42Å; L1667-R1693 HydrophobicContact CD1-CG 4.12Å; L1667-R1693 HydrophobicContact CD2-CB 4.12Å; L1667-L1696 HydrophobicContact CD1-CD2 3.85Å; L1667-L1696 HydrophobicContact CG-CD2 4.36Å; L1667-L1783 HydrophobicContact CD1-CD1 4.27Å; L1667-L1783 HydrophobicContact CD1-CD2 3.86Å; L1667-L1783 HydrophobicContact CD1-CG 4.28Å |
| 1668 | T | 71 | Confident | 61.9 | Low | 83.2 Ų | 83.2 | 56.6 Ų | 56.6 | 51% | 0.51 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -76.1 | -35.4 | 177.6 | 54.4 | 0 | 0 | 0 | 0 | 112.7 | D1664 A1665 C1666 Y1670 N1671 T1672 | D1664-T1668 WeakPolarHBondContact O-CB 3.4Å; D1664-T1668 WeakPolarHBondContact O-CG2 3.36Å; D1664-T1668 PolarHBondContact O-N 3.11Å; D1664-T1668 PolarHBondContact O-OG1 3.19Å; A1665-T1668 VanDerWaalsContact CA-OG1 3.29Å; A1665-T1668 WeakPolarHBondContact CA-OG1 3.34Å; A1665-T1668 PolarHBondContact O-N 3.27Å; A1665-T1668 VanDerWaalsContact O-N 3.12Å; A1665-T1668 PolarHBondContact O-OG1 3.1Å; C1666-T1668 VanDerWaalsContact C-N 3.33Å; C1666-T1668 PolarHBondContact O-N 3.23Å; T1668-Y1670 VanDerWaalsContact C-N 3.29Å; T1668-Y1670 PolarHBondContact O-N 3.01Å; T1668-N1671 WeakPolarHBondContact O-CA 3.29Å; T1668-N1671 VanDerWaalsContact O-CB 3.27Å; T1668-N1671 WeakPolarHBondContact O-CB 3.33Å; T1668-N1671 PolarHBondContact O-N 3.14Å; T1668-T1672 PolarHBondContact O-N 3.28Å |
| 1669 | T | 62.6 | Low | 59.6 | Low | 80.2 Ų | 80.2 | 60.2 Ų | 60.2 | 49% | 0.492 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -64.5 | -25.8 | 175.8 | -17.3 | 0 | 0 | 0 | 0 | 112.6 | A1665 C1666 N1671 T1672 | A1665-T1669 WeakPolarHBondContact O-CB 3.37Å; A1665-T1669 WeakPolarHBondContact O-CG2 3.26Å; A1665-T1669 PolarHBondContact O-N 3.31Å; A1665-T1669 PolarHBondContact O-OG1 3.12Å; C1666-T1669 WeakPolarHBondContact CA-OG1 3.39Å; C1666-T1669 PolarHBondContact O-N 3.41Å; C1666-T1669 PolarHBondContact O-OG1 3.35Å; T1669-N1671 VanDerWaalsContact C-N 3.27Å; T1669-N1671 PolarHBondContact O-N 3.29Å; T1669-T1672 PolarHBondContact O-N 3Å; T1669-T1672 VanDerWaalsContact O-N 3.12Å; T1669-T1672 PolarHBondContact O-OG1 3.17Å; T1669-T1672 VanDerWaalsContact O-OG1 3.05Å |
| 1670 | Y | 56.8 | Low | 57.2 | Low | 112.4 Ų | 112.4 | 67.7 Ų | 67.7 | 44% | 0.441 | 39% | 0.387 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -17.8 | 170.9 | -94.2 | -80.8 | 0 | 0 | 0 | 113.8 | I1635 C1666 L1667 T1668 K1686 | I1635-Y1670 HydrophobicContact CD1-CD2 4.3Å; I1635-Y1670 HydrophobicContact CD1-CE2 4.21Å; I1635-Y1670 HydrophobicContact CG1-CE2 4.26Å; C1666-Y1670 WeakPolarHBondContact O-CD2 3.4Å; C1666-Y1670 WeakPolarHBondContact O-CE2 3.24Å; C1666-Y1670 PolarHBondContact O-N 2.99Å; L1667-Y1670 WeakPolarHBondContact O-CB 3.47Å; L1667-Y1670 PolarHBondContact O-N 3Å; T1668-Y1670 VanDerWaalsContact C-N 3.29Å; T1668-Y1670 PolarHBondContact O-N 3.01Å; Y1670-K1686 PolarHBondContact O-NZ 2.99Å; Y1670-K1686 VanDerWaalsContact O-NZ 3.08Å |
| 1671 | N | 43.9 | Very low | 54.7 | Low | 104.4 Ų | 104.4 | 74.4 Ų | 74.4 | 56% | 0.558 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.3 | -19.3 | 178 | -80.1 | -21.6 | 0 | 0 | 0 | 114.5 | T1668 T1669 P1673 I1689 | T1668-N1671 WeakPolarHBondContact O-CA 3.29Å; T1668-N1671 VanDerWaalsContact O-CB 3.27Å; T1668-N1671 WeakPolarHBondContact O-CB 3.33Å; T1668-N1671 PolarHBondContact O-N 3.14Å; T1669-N1671 VanDerWaalsContact C-N 3.27Å; T1669-N1671 PolarHBondContact O-N 3.29Å; N1671-P1673 VanDerWaalsContact O-CD 3.31Å; N1671-P1673 WeakPolarHBondContact O-CD 3.26Å; N1671-P1673 VanDerWaalsContact O-N 3.12Å; N1671-I1689 HydrophobicContact CB-CD1 4.03Å; N1671-I1689 WeakPolarHBondContact ND2-CD1 3.29Å; N1671-I1689 WeakPolarHBondContact OD1-CD1 3.25Å |
| 1672 | T | 39.8 | Very low | 52.4 | Low | 76.4 Ų | 76.4 | 75.2 Ų | 75.2 | 47% | 0.469 | 43% | 0.428 | S | S | . | . | S | Bend | trans | -72 | 123.3 | 173.9 | 46.9 | 0 | 0 | 0 | 0 | 108 | T1668 T1669 T1674 | T1668-T1672 PolarHBondContact O-N 3.28Å; T1669-T1672 PolarHBondContact O-N 3Å; T1669-T1672 VanDerWaalsContact O-N 3.12Å; T1669-T1672 PolarHBondContact O-OG1 3.17Å; T1669-T1672 VanDerWaalsContact O-OG1 3.05Å; T1672-T1674 PolarHBondContact O-N 3.17Å; T1672-T1674 PolarHBondContact O-OG1 3.09Å; T1672-T1674 PolarHBondContact OG1-OG1 3.36Å |
| 1673 | P | 35.3 | Very low | 50 | Low | 104.4 Ų | 104.4 | 83 Ų | 83 | 68% | 0.678 | 47% | 0.467 | S | S | * | . | trans | -69.8 | 73.5 | 179.4 | 28.1 | -32.6 | 0 | 0 | 0 | 109.4 | N1671 S1675 | N1671-P1673 VanDerWaalsContact O-CD 3.31Å; N1671-P1673 WeakPolarHBondContact O-CD 3.26Å; N1671-P1673 VanDerWaalsContact O-N 3.12Å; P1673-S1675 VanDerWaalsContact C-N 3.32Å; P1673-S1675 PolarHBondContact O-N 3.2Å; P1673-S1675 VanDerWaalsContact O-N 3.1Å | ||
| 1674 | T | 37.4 | Very low | 47.7 | Very low | 92.4 Ų | 92.4 | 87 Ų | 87 | 57% | 0.567 | 50% | 0.496 | S | S | * | . | trans | -78.5 | 69 | 172.6 | 43.8 | 0 | 0 | 0 | 0 | 108.8 | F1439 T1672 S1678 | F1439-T1674 HydrophobicContact CE1-CG2 4.5Å; F1439-T1674 HydrophobicContact CZ-CG2 3.82Å; T1672-T1674 PolarHBondContact O-N 3.17Å; T1672-T1674 PolarHBondContact O-OG1 3.09Å; T1672-T1674 PolarHBondContact OG1-OG1 3.36Å; T1674-S1678 PolarHBondContact O-OG 2.86Å | ||
| 1675 | S | 37.9 | Very low | 45.9 | Very low | 58 Ų | 58 | 89.9 Ų | 89.9 | 41% | 0.406 | 52% | 0.518 | S | S | . | . | trans | 99.1 | 95 | 172.1 | 70.6 | 0 | 0 | 0 | 0 | 114.8 | P1673 W1677 S1678 K1686 | P1673-S1675 VanDerWaalsContact C-N 3.32Å; P1673-S1675 PolarHBondContact O-N 3.2Å; P1673-S1675 VanDerWaalsContact O-N 3.1Å; S1675-W1677 PolarHBondContact O-N 3.33Å; S1675-W1677 VanDerWaalsContact O-N 3.15Å; S1675-S1678 PolarHBondContact O-OG 3.4Å; S1675-S1678 PolarHBondContact OG-N 2.99Å; S1675-S1678 VanDerWaalsContact OG-N 3.16Å; S1675-S1678 PolarHBondContact OG-OG 3.05Å; S1675-K1686 PolarHBondContact O-NZ 2.97Å; S1675-K1686 PolarHBondContact OG-NZ 2.72Å | ||
| 1676 | N | 35.5 | Very low | 44.6 | Very low | 120.8 Ų | 120.8 | 93.2 Ų | 93.2 | 65% | 0.646 | 52% | 0.523 | S | S | * | . | G | 310 helix | trans | -62.2 | 10 | 162.7 | -86.9 | -14.7 | 0 | 0 | 0 | 113.6 | F1439 S1678 S1679 | F1439-N1676 HydrophobicContact CE2-CB 4.44Å; F1439-N1676 HydrophobicContact CZ-CB 4.16Å; N1676-S1678 VanDerWaalsContact C-N 3.27Å; N1676-S1678 PolarHBondContact O-N 3.08Å; N1676-S1678 VanDerWaalsContact O-N 3.11Å; N1676-S1679 WeakPolarHBondContact O-CB 3.3Å; N1676-S1679 PolarHBondContact O-N 3.21Å; N1676-S1679 PolarHBondContact O-OG 3.32Å |
| 1677 | W | 36.2 | Very low | 43.5 | Very low | 119.6 Ų | 119.6 | 95.1 Ų | 95.1 | 45% | 0.453 | 54% | 0.536 | S | S | . | . | G | 310 helix | trans | -71.9 | -15.6 | 170.8 | -100.7 | 23.4 | 0 | 0 | 0 | 112.4 | Y1435 N1436 S1438 N1482 W1627 S1675 S1679 Q1680 | Y1435-W1677 WeakPolarHBondContact O-CH2 3.44Å; Y1435-W1677 WeakPolarHBondContact O-CZ2 3.5Å; N1436-W1677 HydrophobicContact CB-CZ2 4.44Å; N1436-W1677 PolarHBondContact ND2-NE1 3.44Å; N1436-W1677 VanDerWaalsContact ND2-NE1 3.12Å; S1438-W1677 PolarHBondContact OG-NE1 3.22Å; S1438-W1677 VanDerWaalsContact OG-NE1 3.09Å; N1482-W1677 WeakPolarHBondContact OD1-CZ3 3.25Å; W1627-W1677 HydrophobicContact CB-CE3 4.32Å; W1627-W1677 HydrophobicContact CB-CH2 3.68Å; W1627-W1677 HydrophobicContact CB-CZ2 4.17Å; W1627-W1677 HydrophobicContact CB-CZ3 3.27Å; W1627-W1677 AromaticContact CD1-CE3 3.87Å; W1627-W1677 AromaticContact CD1-CH2 3.23Å; W1627-W1677 AromaticContact CD1-CZ2 3.27Å; W1627-W1677 AromaticContact CD1-CZ3 3.35Å; W1627-W1677 HydrophobicContact CD2-CH2 4.11Å; W1627-W1677 HydrophobicContact CD2-CZ3 4.45Å; W1627-W1677 AromaticContact CG-CH2 3.61Å; W1627-W1677 HydrophobicContact CG-CH2 3.61Å; W1627-W1677 HydrophobicContact CG-CZ2 4.02Å; W1627-W1677 AromaticContact CG-CZ3 3.2Å; W1627-W1677 HydrophobicContact CG-CZ3 3.2Å; W1627-W1677 HydrophobicContact CZ2-CH2 4.35Å; W1627-W1677 AromaticContact NE1-CE3 3.63Å; W1627-W1677 AromaticContact NE1-CH2 3.13Å; W1627-W1677 AromaticContact NE1-CZ2 3.58Å; W1627-W1677 AromaticContact NE1-CZ3 3.4Å; S1675-W1677 PolarHBondContact O-N 3.33Å; S1675-W1677 VanDerWaalsContact O-N 3.15Å; W1677-S1679 VanDerWaalsContact C-N 3.35Å; W1677-S1679 PolarHBondContact O-N 3.09Å; W1677-Q1680 PolarHBondContact O-N 3.4Å |
| 1678 | S | 33.1 | Very low | 42.9 | Very low | 59.6 Ų | 59.6 | 98.1 Ų | 98.1 | 42% | 0.417 | 56% | 0.557 | S | S | . | * | G | 310 helix | trans | -67.5 | 12 | 174 | 59.2 | 0 | 0 | 0 | 0 | 114.7 | T1674 S1675 N1676 Q1680 S1682 K1686 | T1674-S1678 PolarHBondContact O-OG 2.86Å; S1675-S1678 PolarHBondContact O-OG 3.4Å; S1675-S1678 PolarHBondContact OG-N 2.99Å; S1675-S1678 VanDerWaalsContact OG-N 3.16Å; S1675-S1678 PolarHBondContact OG-OG 3.05Å; N1676-S1678 VanDerWaalsContact C-N 3.27Å; N1676-S1678 PolarHBondContact O-N 3.08Å; N1676-S1678 VanDerWaalsContact O-N 3.11Å; S1678-Q1680 VanDerWaalsContact C-N 3.31Å; S1678-Q1680 PolarHBondContact O-N 3.4Å; S1678-S1682 PolarHBondContact O-OG 3.04Å; S1678-K1686 WeakPolarHBondContact OG-CE 3.42Å; S1678-K1686 PolarHBondContact OG-NZ 3.33Å |
| 1679 | S | 32.1 | Very low | 42.9 | Very low | 84.2 Ų | 84.2 | 96.5 Ų | 96.5 | 59% | 0.589 | 54% | 0.544 | S | S | * | . | S | Bend | trans | -69.4 | -10.6 | 171.9 | 56.4 | 0 | 0 | 0 | 0 | 114.3 | N1676 W1677 S1682 | N1676-S1679 WeakPolarHBondContact O-CB 3.3Å; N1676-S1679 PolarHBondContact O-N 3.21Å; N1676-S1679 PolarHBondContact O-OG 3.32Å; W1677-S1679 VanDerWaalsContact C-N 3.35Å; W1677-S1679 PolarHBondContact O-N 3.09Å; S1679-S1682 CarbonylContact O-C 3.59Å |
| 1680 | Q | 33.8 | Very low | 43.4 | Very low | 162.6 Ų | 162.6 | 95.8 Ų | 95.8 | 76% | 0.76 | 55% | 0.547 | S | S | * | . | S | Bend | trans | -102.5 | -1.1 | 179.9 | -92.7 | -179.9 | -23.8 | 0 | 0 | 115.5 | S1438 F1439 W1677 S1678 | S1438-Q1680 PolarHBondContact OG-OE1 3.23Å; F1439-Q1680 HydrophobicContact CE2-CB 4.27Å; F1439-Q1680 HydrophobicContact CE2-CG 3.74Å; F1439-Q1680 HydrophobicContact CZ-CG 4.16Å; W1677-Q1680 PolarHBondContact O-N 3.4Å; S1678-Q1680 VanDerWaalsContact C-N 3.31Å; S1678-Q1680 PolarHBondContact O-N 3.4Å |
| 1681 | L | 31.6 | Very low | 44.3 | Very low | 141.6 Ų | 141.6 | 94.2 Ų | 94.2 | 74% | 0.741 | 55% | 0.545 | S | S | * | . | S | Bend | trans | -119.1 | 72.1 | 171.8 | -85.6 | 148.9 | 0 | 0 | 0 | 112.2 | S1685 | L1681-S1685 WeakPolarHBondContact CB-OG 3.42Š|
| 1682 | S | 32 | Very low | 45.9 | Very low | 71.6 Ų | 71.6 | 90 Ų | 90 | 50% | 0.501 | 52% | 0.524 | S | S | . | . | trans | -171.2 | 109.7 | 172.2 | 45.3 | 0 | 0 | 0 | 0 | 112.7 | S1678 S1679 S1684 S1685 | S1678-S1682 PolarHBondContact O-OG 3.04Å; S1679-S1682 CarbonylContact O-C 3.59Å; S1682-S1684 PolarHBondContact O-N 3.15Å; S1682-S1684 WeakPolarHBondContact OG-CB 3.36Å; S1682-S1684 PolarHBondContact OG-OG 2.91Å; S1682-S1685 PolarHBondContact O-N 2.94Å; S1682-S1685 VanDerWaalsContact O-N 3.11Å; S1682-S1685 PolarHBondContact O-OG 3.39Å | ||
| 1683 | L | 31.7 | Very low | 48 | Very low | 179.8 Ų | 179.8 | 88.8 Ų | 88.8 | 94% | 0.941 | 51% | 0.511 | S | S | * | . | trans | -61.3 | 18.6 | 161.4 | -91 | 119.6 | 0 | 0 | 0 | 112.7 | S1685 | L1683-S1685 PolarHBondContact O-N 3.27Å; L1683-S1685 VanDerWaalsContact O-N 3.12Å | ||
| 1684 | S | 38.3 | Very low | 50.2 | Low | 85.4 Ų | 85.4 | 91.2 Ų | 91.2 | 60% | 0.597 | 51% | 0.507 | S | S | * | . | trans | -85.4 | 99.2 | 169.9 | 104.7 | 0 | 0 | 0 | 0 | 109.3 | S1682 K1686 | S1682-S1684 PolarHBondContact O-N 3.15Å; S1682-S1684 WeakPolarHBondContact OG-CB 3.36Å; S1682-S1684 PolarHBondContact OG-OG 2.91Å; S1684-K1686 VanDerWaalsContact C-N 3.3Å; S1684-K1686 PolarHBondContact O-N 3.06Å | ||
| 1685 | S | 42.2 | Very low | 52.3 | Low | 88 Ų | 88 | 93.4 Ų | 93.4 | 62% | 0.615 | 51% | 0.505 | S | S | * | . | trans | -52.3 | 70 | 175.2 | 59.1 | 0 | 0 | 0 | 0 | 113.3 | L1681 S1682 L1683 P1687 | L1681-S1685 WeakPolarHBondContact CB-OG 3.42Å; S1682-S1685 PolarHBondContact O-N 2.94Å; S1682-S1685 VanDerWaalsContact O-N 3.11Å; S1682-S1685 PolarHBondContact O-OG 3.39Å; L1683-S1685 PolarHBondContact O-N 3.27Å; L1683-S1685 VanDerWaalsContact O-N 3.12Å; S1685-P1687 VanDerWaalsContact O-CD 3.25Å; S1685-P1687 WeakPolarHBondContact O-CD 3.41Å; S1685-P1687 VanDerWaalsContact O-N 3.13Å | ||
| 1686 | K | 49.3 | Very low | 54.6 | Low | 117.6 Ų | 117.6 | 90.6 Ų | 90.6 | 51% | 0.511 | 49% | 0.485 | S | S | . | . | P | Polyproline II helix | trans | -66.5 | 117.4 | 166 | -78.4 | -176.1 | 176.9 | 178.3 | 0 | 107.7 | Y1670 S1675 S1678 S1684 S1688 I1689 A1690 | Y1670-K1686 PolarHBondContact O-NZ 2.99Å; Y1670-K1686 VanDerWaalsContact O-NZ 3.08Å; S1675-K1686 PolarHBondContact O-NZ 2.97Å; S1675-K1686 PolarHBondContact OG-NZ 2.72Å; S1678-K1686 WeakPolarHBondContact OG-CE 3.42Å; S1678-K1686 PolarHBondContact OG-NZ 3.33Å; S1684-K1686 VanDerWaalsContact C-N 3.3Å; S1684-K1686 PolarHBondContact O-N 3.06Å; K1686-S1688 PolarHBondContact O-N 3.01Å; K1686-S1688 VanDerWaalsContact O-N 3.09Å; K1686-I1689 HydrophobicContact CB-CB 4.45Å; K1686-I1689 HydrophobicContact CB-CD1 3.97Å; K1686-I1689 HydrophobicContact CB-CG1 4.05Å; K1686-I1689 HydrophobicContact CD-CD1 3.75Å; K1686-I1689 HydrophobicContact CD-CG1 4.41Å; K1686-I1689 HydrophobicContact CG-CD1 4.48Å; K1686-I1689 PolarHBondContact O-N 3.34Å; K1686-I1689 VanDerWaalsContact O-N 3.12Å; K1686-A1690 PolarHBondContact O-N 2.89Å |
| 1687 | P | 55.2 | Low | 57 | Low | 52 Ų | 52 | 85.3 Ų | 85.3 | 34% | 0.338 | 46% | 0.457 | S | S | . | . | P | Polyproline II helix | trans | -58.3 | 134.3 | -178.8 | 20.4 | -30 | 0 | 0 | 0 | 110.4 | S1685 I1691 S1692 | S1685-P1687 VanDerWaalsContact O-CD 3.25Å; S1685-P1687 WeakPolarHBondContact O-CD 3.41Å; S1685-P1687 VanDerWaalsContact O-N 3.13Å; P1687-I1691 HydrophobicContact CB-CB 3.94Å; P1687-I1691 HydrophobicContact CB-CD1 4.47Å; P1687-I1691 HydrophobicContact CB-CG2 3.76Å; P1687-I1691 VanDerWaalsContact CB-CG2 3.49Å; P1687-I1691 WeakPolarHBondContact O-CB 3.43Å; P1687-I1691 VanDerWaalsContact O-CD1 3.25Å; P1687-I1691 WeakPolarHBondContact O-CD1 3.3Å; P1687-I1691 WeakPolarHBondContact O-CG1 3.39Å; P1687-I1691 PolarHBondContact O-N 2.87Å; P1687-S1692 WeakPolarHBondContact CG-OG 3.22Å |
| 1688 | S | 65.5 | Low | 59.3 | Low | 66.2 Ų | 66.2 | 82.4 Ų | 82.4 | 46% | 0.463 | 45% | 0.452 | S | S | . | . | P | Polyproline II helix | trans | -56.3 | 156 | 174.5 | 82.7 | 0 | 0 | 0 | 0 | 110.9 | K1686 A1690 I1691 S1692 | K1686-S1688 PolarHBondContact O-N 3.01Å; K1686-S1688 VanDerWaalsContact O-N 3.09Å; S1688-A1690 PolarHBondContact O-N 3.05Å; S1688-A1690 VanDerWaalsContact O-N 3.15Å; S1688-A1690 PolarHBondContact OG-N 3.46Å; S1688-I1691 WeakPolarHBondContact O-CA 3.39Å; S1688-I1691 WeakPolarHBondContact O-CB 3.31Å; S1688-I1691 PolarHBondContact O-N 3.14Å; S1688-I1691 WeakPolarHBondContact OG-CG1 3.26Å; S1688-I1691 PolarHBondContact OG-N 2.93Å; S1688-S1692 PolarHBondContact O-N 3.2Å; S1688-S1692 VanDerWaalsContact O-N 3.14Å; S1688-S1692 PolarHBondContact O-OG 3.24Å |
| 1689 | I | 69.7 | Low | 61.8 | Low | 48.8 Ų | 48.8 | 80.7 Ų | 80.7 | 25% | 0.25 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -54.8 | -38.6 | 178.5 | -66.3 | 161.3 | 0 | 0 | 0 | 111 | N1671 K1686 I1691 S1692 R1693 | N1671-I1689 HydrophobicContact CB-CD1 4.03Å; N1671-I1689 WeakPolarHBondContact ND2-CD1 3.29Å; N1671-I1689 WeakPolarHBondContact OD1-CD1 3.25Å; K1686-I1689 HydrophobicContact CB-CB 4.45Å; K1686-I1689 HydrophobicContact CB-CD1 3.97Å; K1686-I1689 HydrophobicContact CB-CG1 4.05Å; K1686-I1689 HydrophobicContact CD-CD1 3.75Å; K1686-I1689 HydrophobicContact CD-CG1 4.41Å; K1686-I1689 HydrophobicContact CG-CD1 4.48Å; K1686-I1689 PolarHBondContact O-N 3.34Å; K1686-I1689 VanDerWaalsContact O-N 3.12Å; I1689-I1691 VanDerWaalsContact C-N 3.31Å; I1689-I1691 PolarHBondContact O-N 3.08Å; I1689-S1692 PolarHBondContact O-N 3.08Å; I1689-R1693 VanDerWaalsContact O-CB 3.3Å; I1689-R1693 WeakPolarHBondContact O-CB 3.37Å; I1689-R1693 PolarHBondContact O-N 3.19Å |
| 1690 | A | 73.7 | Confident | 64.3 | Low | 66.6 Ų | 66.6 | 76.7 Ų | 76.7 | 55% | 0.55 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -61.2 | -38.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | K1686 S1688 R1694 | K1686-A1690 PolarHBondContact O-N 2.89Å; S1688-A1690 PolarHBondContact O-N 3.05Å; S1688-A1690 VanDerWaalsContact O-N 3.15Å; S1688-A1690 PolarHBondContact OG-N 3.46Å; A1690-R1694 VanDerWaalsContact O-CB 3.32Å; A1690-R1694 WeakPolarHBondContact O-CB 3.29Å; A1690-R1694 WeakPolarHBondContact O-CG 3.25Å; A1690-R1694 PolarHBondContact O-N 3.04Å |
| 1691 | I | 77.1 | Confident | 66.7 | Low | 78 Ų | 78 | 71.9 Ų | 71.9 | 40% | 0.4 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -69.8 | -47 | 175.7 | -63.8 | 167.2 | 0 | 0 | 0 | 110.4 | P1687 S1688 I1689 R1693 R1694 R1695 | P1687-I1691 HydrophobicContact CB-CB 3.94Å; P1687-I1691 HydrophobicContact CB-CD1 4.47Å; P1687-I1691 HydrophobicContact CB-CG2 3.76Å; P1687-I1691 VanDerWaalsContact CB-CG2 3.49Å; P1687-I1691 WeakPolarHBondContact O-CB 3.43Å; P1687-I1691 VanDerWaalsContact O-CD1 3.25Å; P1687-I1691 WeakPolarHBondContact O-CD1 3.3Å; P1687-I1691 WeakPolarHBondContact O-CG1 3.39Å; P1687-I1691 PolarHBondContact O-N 2.87Å; S1688-I1691 WeakPolarHBondContact O-CA 3.39Å; S1688-I1691 WeakPolarHBondContact O-CB 3.31Å; S1688-I1691 PolarHBondContact O-N 3.14Å; S1688-I1691 WeakPolarHBondContact OG-CG1 3.26Å; S1688-I1691 PolarHBondContact OG-N 2.93Å; I1689-I1691 VanDerWaalsContact C-N 3.31Å; I1689-I1691 PolarHBondContact O-N 3.08Å; I1691-R1693 VanDerWaalsContact C-N 3.28Å; I1691-R1693 PolarHBondContact O-N 3.03Å; I1691-R1694 PolarHBondContact O-N 3.05Å; I1691-R1695 HydrophobicContact CG2-CG 4.42Å; I1691-R1695 WeakPolarHBondContact O-CB 3.42Å; I1691-R1695 VanDerWaalsContact O-CG 3.3Å; I1691-R1695 WeakPolarHBondContact O-CG 3.41Å; I1691-R1695 PolarHBondContact O-N 3.1Å |
| 1692 | S | 76.8 | Confident | 69.1 | Low | 17.4 Ų | 17.4 | 69 Ų | 69 | 12% | 0.122 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -61.9 | -43.2 | 178.4 | -61.4 | 0 | 0 | 0 | 0 | 111.9 | P1687 S1688 I1689 R1695 L1696 | P1687-S1692 WeakPolarHBondContact CG-OG 3.22Å; S1688-S1692 PolarHBondContact O-N 3.2Å; S1688-S1692 VanDerWaalsContact O-N 3.14Å; S1688-S1692 PolarHBondContact O-OG 3.24Å; I1689-S1692 PolarHBondContact O-N 3.08Å; S1692-R1695 PolarHBondContact O-N 2.97Å; S1692-L1696 VanDerWaalsContact O-CB 3.31Å; S1692-L1696 WeakPolarHBondContact O-CB 3.34Å; S1692-L1696 PolarHBondContact O-N 2.97Å |
| 1693 | R | 83.2 | Confident | 71.6 | Confident | 50.8 Ų | 50.8 | 66 Ų | 66 | 19% | 0.192 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -62.8 | -44.6 | 174.3 | -171.1 | 172.6 | -138.9 | 137.1 | -2.3 | 111.4 | D1664 L1667 I1689 I1691 R1695 L1696 L1697 T1782 L1783 I1790 | D1664-R1693 IonicContact OD1-CZ 3.07Å; D1664-R1693 IonicContact OD1-NH1 3.63Å; D1664-R1693 PolarHBondContact OD1-NH1 3.16Å; D1664-R1693 VanDerWaalsContact OD1-NH1 3.12Å; D1664-R1693 IonicContact OD1-NH2 2.73Å; D1664-R1693 PolarHBondContact OD1-NH2 3.08Å; L1667-R1693 HydrophobicContact CD1-CB 4.42Å; L1667-R1693 HydrophobicContact CD1-CG 4.12Å; L1667-R1693 HydrophobicContact CD2-CB 4.12Å; I1689-R1693 VanDerWaalsContact O-CB 3.3Å; I1689-R1693 WeakPolarHBondContact O-CB 3.37Å; I1689-R1693 PolarHBondContact O-N 3.19Å; I1691-R1693 VanDerWaalsContact C-N 3.28Å; I1691-R1693 PolarHBondContact O-N 3.03Å; R1693-R1695 VanDerWaalsContact C-N 3.34Å; R1693-R1695 PolarHBondContact O-N 3.28Å; R1693-L1696 WeakPolarHBondContact O-CB 3.45Å; R1693-L1696 PolarHBondContact O-N 3.23Å; R1693-L1697 HydrophobicContact CG-CD1 4.17Å; R1693-L1697 HydrophobicContact CG-CG 4.4Å; R1693-L1697 WeakPolarHBondContact O-CB 3.48Å; R1693-L1697 VanDerWaalsContact O-CG 3.29Å; R1693-L1697 WeakPolarHBondContact O-CG 3.16Å; R1693-L1697 PolarHBondContact O-N 3.31Å; R1693-T1782 PolarHBondContact NH2-OG1 2.96Å; R1693-T1782 VanDerWaalsContact NH2-OG1 3.07Å; R1693-L1783 HydrophobicContact CG-CD2 4.33Å; R1693-I1790 WeakPolarHBondContact CD-O 3.27Å; R1693-I1790 PolarHBondContact NE-O 3.27Å; R1693-I1790 PolarHBondContact NH2-O 2.83Å |
| 1694 | R | 81.3 | Confident | 74 | Confident | 154.8 Ų | 154.8 | 59.7 Ų | 59.7 | 58% | 0.584 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -61.3 | -43.7 | 175.3 | -159.8 | 175.9 | -178.9 | 142 | 0.1 | 112.2 | A1690 I1691 L1696 L1697 T1698 | A1690-R1694 VanDerWaalsContact O-CB 3.32Å; A1690-R1694 WeakPolarHBondContact O-CB 3.29Å; A1690-R1694 WeakPolarHBondContact O-CG 3.25Å; A1690-R1694 PolarHBondContact O-N 3.04Å; I1691-R1694 PolarHBondContact O-N 3.05Å; R1694-L1696 VanDerWaalsContact C-N 3.32Å; R1694-L1696 PolarHBondContact O-N 2.89Å; R1694-L1697 PolarHBondContact O-N 3.14Å; R1694-T1698 WeakPolarHBondContact O-CB 3.32Å; R1694-T1698 PolarHBondContact O-N 3.14Å; R1694-T1698 PolarHBondContact O-OG1 3.17Å; R1694-T1698 VanDerWaalsContact O-OG1 3.09Å |
| 1695 | R | 82.6 | Confident | 76.1 | Confident | 137.4 Ų | 137.4 | 55.8 Ų | 55.8 | 52% | 0.518 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -61.3 | -44.7 | 175.7 | -74.1 | 179.3 | 179.9 | -178.1 | 2.9 | 111.5 | I1691 S1692 R1693 T1698 A1699 | I1691-R1695 HydrophobicContact CG2-CG 4.42Å; I1691-R1695 WeakPolarHBondContact O-CB 3.42Å; I1691-R1695 VanDerWaalsContact O-CG 3.3Å; I1691-R1695 WeakPolarHBondContact O-CG 3.41Å; I1691-R1695 PolarHBondContact O-N 3.1Å; S1692-R1695 PolarHBondContact O-N 2.97Å; R1693-R1695 VanDerWaalsContact C-N 3.34Å; R1693-R1695 PolarHBondContact O-N 3.28Å; R1695-T1698 PolarHBondContact O-N 3.27Å; R1695-A1699 WeakPolarHBondContact O-CB 3.33Å; R1695-A1699 PolarHBondContact O-N 3.19Å; R1695-A1699 VanDerWaalsContact O-N 3.14Å |
| 1696 | L | 86 | Confident | 78 | Confident | 0.8 Ų | 0.8 | 52.2 Ų | 52.2 | 0% | 0.004 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -59.4 | -51.7 | 175.4 | 173.9 | 64.7 | 0 | 0 | 0 | 111.2 | I1635 L1639 F1663 L1667 S1692 R1693 R1694 T1698 A1699 L1700 L1783 | I1635-L1696 HydrophobicContact CG2-CB 4.36Å; I1635-L1696 HydrophobicContact CG2-CD1 3.97Å; L1639-L1696 HydrophobicContact CD1-CD1 4.28Å; L1639-L1696 HydrophobicContact CD2-CD1 3.84Å; L1639-L1696 HydrophobicContact CG-CD1 4.16Å; F1663-L1696 HydrophobicContact CB-CD2 3.94Å; F1663-L1696 HydrophobicContact CD1-CD1 3.55Å; F1663-L1696 HydrophobicContact CD1-CD2 4.07Å; F1663-L1696 HydrophobicContact CD1-CG 4.45Å; F1663-L1696 HydrophobicContact CD2-CD1 4.32Å; F1663-L1696 HydrophobicContact CE1-CD1 3.52Å; F1663-L1696 VanDerWaalsContact CE1-CD1 3.49Å; F1663-L1696 HydrophobicContact CE2-CD1 4.31Å; F1663-L1696 HydrophobicContact CG-CD1 3.98Å; F1663-L1696 HydrophobicContact CG-CD2 4.09Å; F1663-L1696 HydrophobicContact CZ-CD1 3.94Å; L1667-L1696 HydrophobicContact CD1-CD2 3.85Å; L1667-L1696 HydrophobicContact CG-CD2 4.36Å; S1692-L1696 VanDerWaalsContact O-CB 3.31Å; S1692-L1696 WeakPolarHBondContact O-CB 3.34Å; S1692-L1696 PolarHBondContact O-N 2.97Å; R1693-L1696 WeakPolarHBondContact O-CB 3.45Å; R1693-L1696 PolarHBondContact O-N 3.23Å; R1694-L1696 VanDerWaalsContact C-N 3.32Å; R1694-L1696 PolarHBondContact O-N 2.89Å; L1696-T1698 VanDerWaalsContact C-N 3.3Å; L1696-T1698 PolarHBondContact O-N 3.17Å; L1696-A1699 CarbonylContact O-C 3.59Å; L1696-A1699 WeakPolarHBondContact O-CA 3.31Å; L1696-A1699 WeakPolarHBondContact O-CB 3.35Å; L1696-A1699 PolarHBondContact O-N 3.07Å; L1696-A1699 VanDerWaalsContact O-N 3.1Å; L1696-L1700 HydrophobicContact CD1-CD1 4.08Å; L1696-L1700 HydrophobicContact CD1-CD2 4.26Å; L1696-L1700 HydrophobicContact CD1-CG 3.99Å; L1696-L1700 HydrophobicContact CD2-CD1 4.36Å; L1696-L1700 HydrophobicContact CG-CD1 3.93Å; L1696-L1700 HydrophobicContact CG-CG 4.25Å; L1696-L1700 WeakPolarHBondContact O-CB 3.29Å; L1696-L1700 VanDerWaalsContact O-CG 3.27Å; L1696-L1700 WeakPolarHBondContact O-CG 3.38Å; L1696-L1700 PolarHBondContact O-N 3.22Å; L1696-L1783 HydrophobicContact CD2-CD1 3.95Å; L1696-L1783 HydrophobicContact CD2-CD2 4Å; L1696-L1783 HydrophobicContact CD2-CG 4.37Å |
| 1697 | L | 85.6 | Confident | 79.5 | Confident | 8.4 Ų | 8.4 | 47.1 Ų | 47.1 | 4% | 0.044 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -59.6 | -41.1 | 179.7 | -69 | 170.9 | 0 | 0 | 0 | 111.8 | R1693 R1694 A1699 L1700 Q1701 L1783 P1789 I1790 L1792 | R1693-L1697 HydrophobicContact CG-CD1 4.17Å; R1693-L1697 HydrophobicContact CG-CG 4.4Å; R1693-L1697 WeakPolarHBondContact O-CB 3.48Å; R1693-L1697 VanDerWaalsContact O-CG 3.29Å; R1693-L1697 WeakPolarHBondContact O-CG 3.16Å; R1693-L1697 PolarHBondContact O-N 3.31Å; R1694-L1697 PolarHBondContact O-N 3.14Å; L1697-A1699 VanDerWaalsContact C-N 3.3Å; L1697-A1699 PolarHBondContact O-N 3.45Å; L1697-L1700 HydrophobicContact CD2-CD1 4.47Å; L1697-L1700 PolarHBondContact O-N 3.35Å; L1697-Q1701 WeakPolarHBondContact O-CB 3.21Å; L1697-Q1701 VanDerWaalsContact O-CG 3.31Å; L1697-Q1701 WeakPolarHBondContact O-CG 3.36Å; L1697-Q1701 PolarHBondContact O-N 3.08Å; L1697-Q1701 VanDerWaalsContact O-N 3.14Å; L1697-L1783 HydrophobicContact CD2-CB 4.45Å; L1697-L1783 HydrophobicContact CD2-CD2 3.9Å; L1697-L1783 HydrophobicContact CG-CD2 4.41Å; L1697-P1789 VanDerWaalsContact CD1-O 3.28Å; L1697-P1789 WeakPolarHBondContact CD1-O 3.39Å; L1697-I1790 WeakPolarHBondContact CD1-O 3.39Å; L1697-L1792 HydrophobicContact CB-CD2 4.43Å; L1697-L1792 HydrophobicContact CD2-CD2 4.07Å; L1697-L1792 HydrophobicContact CD2-CG 3.86Å |
| 1698 | T | 84.2 | Confident | 80.7 | Confident | 58.6 Ų | 58.6 | 45.2 Ų | 45.2 | 36% | 0.36 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -61.9 | -43 | 174.2 | -52.5 | 0 | 0 | 0 | 0 | 111.2 | R1694 R1695 L1696 Q1701 H1702 | R1694-T1698 WeakPolarHBondContact O-CB 3.32Å; R1694-T1698 PolarHBondContact O-N 3.14Å; R1694-T1698 PolarHBondContact O-OG1 3.17Å; R1694-T1698 VanDerWaalsContact O-OG1 3.09Å; R1695-T1698 PolarHBondContact O-N 3.27Å; L1696-T1698 VanDerWaalsContact C-N 3.3Å; L1696-T1698 PolarHBondContact O-N 3.17Å; T1698-Q1701 WeakPolarHBondContact O-CB 3.29Å; T1698-Q1701 PolarHBondContact O-N 3.23Å; T1698-H1702 PolarHBondContact O-CD2 3.27Å; T1698-H1702 VanDerWaalsContact O-CD2 3.25Å; T1698-H1702 PolarHBondContact O-N 3.3Å |
| 1699 | A | 85.4 | Confident | 81.2 | Confident | 23.8 Ų | 23.8 | 43.8 Ų | 43.8 | 20% | 0.197 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -64.9 | -45.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112 | L1639 R1695 L1696 L1697 Q1701 H1702 L1703 | L1639-A1699 HydrophobicContact CD1-CB 4.12Å; L1639-A1699 HydrophobicContact CD2-CB 3.64Å; L1639-A1699 HydrophobicContact CG-CB 4.48Å; R1695-A1699 WeakPolarHBondContact O-CB 3.33Å; R1695-A1699 PolarHBondContact O-N 3.19Å; R1695-A1699 VanDerWaalsContact O-N 3.14Å; L1696-A1699 CarbonylContact O-C 3.59Å; L1696-A1699 WeakPolarHBondContact O-CA 3.31Å; L1696-A1699 WeakPolarHBondContact O-CB 3.35Å; L1696-A1699 PolarHBondContact O-N 3.07Å; L1696-A1699 VanDerWaalsContact O-N 3.1Å; L1697-A1699 VanDerWaalsContact C-N 3.3Å; L1697-A1699 PolarHBondContact O-N 3.45Å; A1699-Q1701 VanDerWaalsContact C-N 3.27Å; A1699-Q1701 PolarHBondContact O-N 3.1Å; A1699-H1702 CarbonylContact O-C 3.54Å; A1699-H1702 PolarHBondContact O-N 3.21Å; A1699-L1703 WeakPolarHBondContact O-CG 3.41Å; A1699-L1703 PolarHBondContact O-N 3.23Å; A1699-L1703 VanDerWaalsContact O-N 3.12Å |
| 1700 | L | 85.8 | Confident | 81.4 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -57.8 | -37.3 | 176.9 | -69.3 | 174.9 | 0 | 0 | 0 | 112 | M1660 F1663 L1696 L1697 H1702 L1703 I1705 F1706 L1792 | M1660-L1700 HydrophobicContact CE-CD1 4.44Å; M1660-L1700 HydrophobicContact CE-CD2 3.88Å; M1660-L1700 HydrophobicContact SD-CD1 4.26Å; M1660-L1700 HydrophobicContact SD-CD2 4.37Å; F1663-L1700 HydrophobicContact CD2-CD2 4.4Å; F1663-L1700 HydrophobicContact CE2-CD2 3.92Å; F1663-L1700 HydrophobicContact CZ-CD2 4.44Å; L1696-L1700 HydrophobicContact CD1-CD1 4.08Å; L1696-L1700 HydrophobicContact CD1-CD2 4.26Å; L1696-L1700 HydrophobicContact CD1-CG 3.99Å; L1696-L1700 HydrophobicContact CD2-CD1 4.36Å; L1696-L1700 HydrophobicContact CG-CD1 3.93Å; L1696-L1700 HydrophobicContact CG-CG 4.25Å; L1696-L1700 WeakPolarHBondContact O-CB 3.29Å; L1696-L1700 VanDerWaalsContact O-CG 3.27Å; L1696-L1700 WeakPolarHBondContact O-CG 3.38Å; L1696-L1700 PolarHBondContact O-N 3.22Å; L1697-L1700 HydrophobicContact CD2-CD1 4.47Å; L1697-L1700 PolarHBondContact O-N 3.35Å; L1700-H1702 PolarHBondContact O-N 3.42Å; L1700-L1703 HydrophobicContact CD2-CD1 4.18Å; L1700-L1703 HydrophobicContact CG-CD1 4.42Å; L1700-L1703 PolarHBondContact O-N 3.17Å; L1700-L1703 VanDerWaalsContact O-N 3.14Å; L1700-I1705 HydrophobicContact CB-CD1 4.31Å; L1700-I1705 HydrophobicContact CD2-CD1 3.81Å; L1700-I1705 WeakPolarHBondContact O-CD1 3.11Å; L1700-F1706 WeakPolarHBondContact O-CE2 3.14Å; L1700-L1792 HydrophobicContact CB-CD1 4.16Å; L1700-L1792 HydrophobicContact CB-CD2 4.38Å; L1700-L1792 HydrophobicContact CD1-CD1 4.26Å |
| 1701 | Q | 83.4 | Confident | 81.4 | Confident | 61.8 Ų | 61.8 | 44.3 Ų | 44.3 | 29% | 0.289 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -61.6 | -27.3 | 175.4 | -74 | 173.7 | -7.1 | 0 | 0 | 113.6 | L1697 T1698 A1699 L1716 N1717 L1792 | L1697-Q1701 WeakPolarHBondContact O-CB 3.21Å; L1697-Q1701 VanDerWaalsContact O-CG 3.31Å; L1697-Q1701 WeakPolarHBondContact O-CG 3.36Å; L1697-Q1701 PolarHBondContact O-N 3.08Å; L1697-Q1701 VanDerWaalsContact O-N 3.14Å; T1698-Q1701 WeakPolarHBondContact O-CB 3.29Å; T1698-Q1701 PolarHBondContact O-N 3.23Å; A1699-Q1701 VanDerWaalsContact C-N 3.27Å; A1699-Q1701 PolarHBondContact O-N 3.1Å; Q1701-L1716 HydrophobicContact CB-CB 4.24Å; Q1701-L1716 HydrophobicContact CG-CB 4.26Å; Q1701-L1716 HydrophobicContact CG-CD1 4.3Å; Q1701-L1716 PolarHBondContact O-N 3.13Å; Q1701-L1716 VanDerWaalsContact O-N 3.11Å; Q1701-N1717 HydrophobicContact CB-CB 4.3Å; Q1701-N1717 WeakPolarHBondContact CB-ND2 3.48Å; Q1701-N1717 VanDerWaalsContact O-CB 3.29Å; Q1701-N1717 WeakPolarHBondContact O-CB 3.37Å; Q1701-N1717 PolarHBondContact O-N 3.13Å; Q1701-N1717 PolarHBondContact OE1-ND2 2.78Å; Q1701-L1792 HydrophobicContact CG-CD2 3.65Å; Q1701-L1792 VanDerWaalsContact CG-CD2 3.48Å |
| 1702 | H | 82.5 | Confident | 81.3 | Confident | 81.2 Ų | 81.2 | 46.3 Ų | 46.3 | 38% | 0.376 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -101 | -2.8 | -179.3 | -67.9 | -67.1 | 0 | 0 | 0 | 113.9 | T1698 A1699 L1700 R1715 N1717 | T1698-H1702 PolarHBondContact O-CD2 3.27Å; T1698-H1702 VanDerWaalsContact O-CD2 3.25Å; T1698-H1702 PolarHBondContact O-N 3.3Å; A1699-H1702 CarbonylContact O-C 3.54Å; A1699-H1702 PolarHBondContact O-N 3.21Å; L1700-H1702 PolarHBondContact O-N 3.42Å; H1702-R1715 VanDerWaalsContact O-CD 3.23Å; H1702-R1715 WeakPolarHBondContact O-CD 3.39Å; H1702-R1715 WeakPolarHBondContact O-CG 3.3Å; H1702-R1715 PolarHBondContact O-NE 3.21Å; H1702-R1715 VanDerWaalsContact O-NE 3.14Å; H1702-N1717 PolarHBondContact CE1-ND2 3.2Å; H1702-N1717 VanDerWaalsContact CE1-ND2 3.3Å; H1702-N1717 PolarHBondContact NE2-ND2 2.64Å |
| 1703 | L | 83.4 | Confident | 81.3 | Confident | 9 Ų | 9 | 47 Ų | 47 | 5% | 0.047 | 24% | 0.239 | C | C | . | . | trans | -88.4 | 132.3 | -179.6 | -79.5 | 170.1 | 0 | 0 | 0 | 111.4 | L1639 A1642 T1643 A1699 L1700 I1705 R1715 | L1639-L1703 HydrophobicContact CD2-CD1 3.78Å; A1642-L1703 HydrophobicContact CB-CD1 3.94Å; A1642-L1703 HydrophobicContact CB-CD2 4.02Å; A1642-L1703 HydrophobicContact CB-CG 4.35Å; A1642-L1703 WeakPolarHBondContact O-CD2 3.42Å; T1643-L1703 HydrophobicContact CG2-CD2 3.96Å; T1643-L1703 VanDerWaalsContact OG1-CD2 3.32Å; T1643-L1703 WeakPolarHBondContact OG1-CD2 3.24Å; A1699-L1703 WeakPolarHBondContact O-CG 3.41Å; A1699-L1703 PolarHBondContact O-N 3.23Å; A1699-L1703 VanDerWaalsContact O-N 3.12Å; L1700-L1703 HydrophobicContact CD2-CD1 4.18Å; L1700-L1703 HydrophobicContact CG-CD1 4.42Å; L1700-L1703 PolarHBondContact O-N 3.17Å; L1700-L1703 VanDerWaalsContact O-N 3.14Å; L1703-I1705 HydrophobicContact CB-CD1 4.13Å; L1703-I1705 HydrophobicContact CB-CG1 3.91Å; L1703-I1705 HydrophobicContact CB-CG2 4.1Å; L1703-I1705 HydrophobicContact CD1-CD1 4.38Å; L1703-I1705 PolarHBondContact O-N 3.3Å; L1703-R1715 WeakPolarHBondContact O-CA 3.45Å | ||
| 1704 | P | 82.5 | Confident | 81.2 | Confident | 46.6 Ų | 46.6 | 45.7 Ų | 45.7 | 30% | 0.303 | 24% | 0.235 | S | C | . | . | S | Bend | trans | -79.5 | 59 | 178.3 | 34 | -35.1 | 0 | 0 | 0 | 111.3 | I1650 C1713 I1714 R1715 | I1650-P1704 WeakPolarHBondContact CD1-O 3.32Å; P1704-C1713 HydrophobicContact CB-CB 3.02Å; P1704-C1713 HydrophobicContact CG-CB 4.38Å; P1704-C1713 WeakPolarHBondContact O-CB 3.31Å; P1704-C1713 PolarHBondContact O-SG 3.03Å; P1704-I1714 CarbonylContact C-O 3.56Å; P1704-I1714 WeakPolarHBondContact CA-O 3.4Å; P1704-R1715 HydrophobicContact CB-CG 4.08Å |
| 1705 | I | 82.4 | Confident | 81.1 | Confident | 4.8 Ų | 4.8 | 43 Ų | 43 | 3% | 0.025 | 23% | 0.225 | C | C | . | . | trans | -105.8 | -1.2 | -171.6 | 47.4 | 170.5 | 0 | 0 | 0 | 113.4 | A1642 I1650 L1656 L1659 M1660 L1700 L1703 P1707 C1713 I1714 | A1642-I1705 HydrophobicContact CB-CG2 4.28Å; A1642-I1705 WeakPolarHBondContact O-CG2 3.23Å; I1650-I1705 HydrophobicContact CD1-CG2 4.39Å; L1656-I1705 HydrophobicContact CD1-CD1 4.33Å; L1656-I1705 HydrophobicContact CD1-CG1 4.45Å; L1656-I1705 HydrophobicContact CD1-CG2 3.8Å; L1656-I1705 WeakPolarHBondContact CD1-O 3.48Å; L1656-I1705 HydrophobicContact CD2-CG2 3.87Å; L1656-I1705 HydrophobicContact CG-CG2 4.48Å; L1659-I1705 HydrophobicContact CD2-CD1 4.22Å; M1660-I1705 HydrophobicContact CE-CD1 3.86Å; L1700-I1705 HydrophobicContact CB-CD1 4.31Å; L1700-I1705 HydrophobicContact CD2-CD1 3.81Å; L1700-I1705 WeakPolarHBondContact O-CD1 3.11Å; L1703-I1705 HydrophobicContact CB-CD1 4.13Å; L1703-I1705 HydrophobicContact CB-CG1 3.91Å; L1703-I1705 HydrophobicContact CB-CG2 4.1Å; L1703-I1705 HydrophobicContact CD1-CD1 4.38Å; L1703-I1705 PolarHBondContact O-N 3.3Å; I1705-P1707 VanDerWaalsContact O-CD 3.29Å; I1705-P1707 WeakPolarHBondContact O-CD 3.35Å; I1705-C1713 VanDerWaalsContact CA-SG 3.58Å; I1705-I1714 PolarHBondContact N-O 3.37Å | ||
| 1706 | F | 82.5 | Confident | 81 | Confident | 10.6 Ų | 10.6 | 38.7 Ų | 38.7 | 5% | 0.046 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 98.8 | -178.5 | -60 | -81.5 | 0 | 0 | 0 | 109.6 | L1656 M1660 L1700 L1708 C1713 I1714 L1716 L1733 I1764 L1784 L1792 I1794 | L1656-F1706 HydrophobicContact CD2-CD1 4.22Å; M1660-F1706 HydrophobicContact CE-CE1 3.96Å; M1660-F1706 HydrophobicContact CE-CZ 3.85Å; L1700-F1706 WeakPolarHBondContact O-CE2 3.14Å; F1706-L1708 PolarHBondContact O-N 3.06Å; F1706-C1713 PolarHBondContact N-SG 3.21Å; F1706-C1713 VanDerWaalsContact N-SG 3.36Å; F1706-C1713 CarbonylContact O-C 3.48Å; F1706-C1713 WeakPolarHBondContact O-CA 3.41Å; F1706-I1714 HydrophobicContact CB-CG1 4.17Å; F1706-I1714 PolarHBondContact N-O 3.16Å; F1706-I1714 WeakPolarHBondContact O-CG1 3.4Å; F1706-I1714 PolarHBondContact O-N 3.16Å; F1706-I1714 VanDerWaalsContact O-N 3.09Å; F1706-L1716 HydrophobicContact CD1-CD1 4.43Å; F1706-L1716 HydrophobicContact CD1-CD2 4.4Å; F1706-L1716 HydrophobicContact CD1-CG 4.44Å; F1706-L1716 HydrophobicContact CD2-CD1 4.13Å; F1706-L1716 HydrophobicContact CD2-CD2 4.15Å; F1706-L1716 HydrophobicContact CD2-CG 3.7Å; F1706-L1716 HydrophobicContact CE1-CD1 3.99Å; F1706-L1716 HydrophobicContact CE1-CG 4.35Å; F1706-L1716 HydrophobicContact CE2-CD1 3.57Å; F1706-L1716 HydrophobicContact CE2-CD2 4.42Å; F1706-L1716 HydrophobicContact CE2-CG 3.79Å; F1706-L1716 HydrophobicContact CG-CD2 4.14Å; F1706-L1716 HydrophobicContact CG-CG 4.18Å; F1706-L1716 HydrophobicContact CZ-CD1 3.49Å; F1706-L1716 VanDerWaalsContact CZ-CD1 3.45Å; F1706-L1716 HydrophobicContact CZ-CG 4.02Å; F1706-L1733 HydrophobicContact CB-CD1 4.45Å; F1706-L1733 HydrophobicContact CD1-CD1 3.34Å; F1706-L1733 HydrophobicContact CD2-CD1 3.45Å; F1706-L1733 VanDerWaalsContact CD2-CD1 3.45Å; F1706-L1733 HydrophobicContact CE1-CD1 3.24Å; F1706-L1733 HydrophobicContact CE2-CD1 3.34Å; F1706-L1733 HydrophobicContact CG-CD1 3.45Å; F1706-L1733 VanDerWaalsContact CG-CD1 3.45Å; F1706-L1733 HydrophobicContact CZ-CD1 3.23Å; F1706-I1764 HydrophobicContact CB-CD1 4.36Å; F1706-I1764 HydrophobicContact CB-CG1 4.4Å; F1706-I1764 HydrophobicContact CD1-CD1 3.89Å; F1706-I1764 HydrophobicContact CG-CD1 4.47Å; F1706-L1784 HydrophobicContact CE1-CD2 3.9Å; F1706-L1784 HydrophobicContact CZ-CD2 4.43Å; F1706-L1792 HydrophobicContact CZ-CD1 4.09Å; F1706-I1794 HydrophobicContact CE1-CD1 4.25Å; F1706-I1794 HydrophobicContact CZ-CD1 4.38Å |
| 1707 | P | 81.2 | Confident | 80.5 | Confident | 11 Ų | 11 | 42.7 Ų | 42.7 | 7% | 0.071 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 122.3 | 179 | 30.3 | -34 | 0 | 0 | 0 | 110.1 | I1650 N1651 I1705 Q1712 I1764 K1765 A1768 | I1650-P1707 HydrophobicContact CG2-CB 4.25Å; I1650-P1707 HydrophobicContact CG2-CG 4.27Å; N1651-P1707 VanDerWaalsContact OD1-CB 3.28Å; N1651-P1707 WeakPolarHBondContact OD1-CB 3.44Å; N1651-P1707 WeakPolarHBondContact OD1-CG 3.37Å; I1705-P1707 VanDerWaalsContact O-CD 3.29Å; I1705-P1707 WeakPolarHBondContact O-CD 3.35Å; P1707-Q1712 WeakPolarHBondContact CA-O 3.35Å; P1707-I1764 CarbonylContact O-C 3.54Å; P1707-I1764 VanDerWaalsContact O-CA 3.27Å; P1707-I1764 WeakPolarHBondContact O-CA 3.41Å; P1707-I1764 WeakPolarHBondContact O-CG2 3.35Å; P1707-K1765 HydrophobicContact CB-CD 4.1Å; P1707-K1765 HydrophobicContact CB-CG 4.21Å; P1707-K1765 HydrophobicContact CG-CB 4.48Å; P1707-K1765 HydrophobicContact CG-CD 4Å; P1707-K1765 VanDerWaalsContact CG-CE 3.5Å; P1707-K1765 HydrophobicContact CG-CG 4.02Å; P1707-K1765 PolarHBondContact O-N 3.05Å; P1707-A1768 HydrophobicContact CG-CB 3.78Å |
| 1708 | L | 79.4 | Confident | 80 | Confident | 13.4 Ų | 13.4 | 45.9 Ų | 45.9 | 7% | 0.07 | 25% | 0.251 | C | S | . | . | B | Isolated β-bridge | trans | -82.7 | 159.4 | 169.8 | -62.1 | -179.3 | 0 | 0 | 0 | 110.7 | F1706 N1710 G1711 Q1712 I1714 V1732 L1756 P1762 I1763 I1764 K1765 | F1706-L1708 PolarHBondContact O-N 3.06Å; L1708-N1710 VanDerWaalsContact CB-OD1 3.26Å; L1708-N1710 WeakPolarHBondContact CB-OD1 3.32Å; L1708-N1710 PolarHBondContact O-N 3.15Å; L1708-N1710 VanDerWaalsContact O-N 3.12Å; L1708-G1711 PolarHBondContact O-N 2.97Å; L1708-Q1712 WeakPolarHBondContact CA-O 3.19Å; L1708-Q1712 WeakPolarHBondContact CB-O 3.41Å; L1708-Q1712 PolarHBondContact N-O 3.26Å; L1708-I1714 HydrophobicContact CD1-CD1 3.93Å; L1708-I1714 HydrophobicContact CD1-CG1 4.09Å; L1708-I1714 VanDerWaalsContact CD1-CG1 3.43Å; L1708-I1714 HydrophobicContact CD1-CG2 3.79Å; L1708-I1714 HydrophobicContact CD2-CD1 3.79Å; L1708-I1714 HydrophobicContact CD2-CG1 4.17Å; L1708-I1714 HydrophobicContact CG-CD1 3.98Å; L1708-I1714 HydrophobicContact CG-CG1 3.96Å; L1708-I1714 HydrophobicContact CG-CG2 4.19Å; L1708-V1732 HydrophobicContact CD2-CG1 4.16Å; L1708-L1756 HydrophobicContact CD2-CD1 4.15Å; L1708-P1762 HydrophobicContact CD1-CB 4.04Å; L1708-P1762 HydrophobicContact CD2-CB 4.16Å; L1708-I1763 CarbonylContact C-O 3.42Å; L1708-I1763 VanDerWaalsContact CA-O 3.24Å; L1708-I1763 WeakPolarHBondContact CA-O 3.25Å; L1708-I1763 WeakPolarHBondContact CD2-O 3.38Å; L1708-I1764 HydrophobicContact CD2-CG1 4.39Å; L1708-K1765 WeakPolarHBondContact O-CE 3.28Å; L1708-K1765 WeakPolarHBondContact O-CG 3.33Å |
| 1709 | T | 77.2 | Confident | 79.3 | Confident | 36.4 Ų | 36.4 | 50.8 Ų | 50.8 | 22% | 0.223 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61 | -24.6 | 178.1 | 50.9 | 0 | 0 | 0 | 0 | 113.5 | G1711 I1754 E1758 K1759 I1763 K1765 | T1709-G1711 VanDerWaalsContact C-N 3.34Å; T1709-G1711 PolarHBondContact O-N 3.09Å; T1709-G1711 VanDerWaalsContact O-N 3.15Å; T1709-I1754 HydrophobicContact CG2-CG2 3.94Å; T1709-E1758 VanDerWaalsContact C-OE1 3.26Å; T1709-E1758 VanDerWaalsContact CB-OE1 3.27Å; T1709-E1758 WeakPolarHBondContact CB-OE1 3.25Å; T1709-E1758 WeakPolarHBondContact OG1-CB 3.42Å; T1709-E1758 VanDerWaalsContact OG1-CD 3.29Å; T1709-E1758 VanDerWaalsContact OG1-CG 3.31Å; T1709-E1758 WeakPolarHBondContact OG1-CG 3.31Å; T1709-E1758 PolarHBondContact OG1-OE1 3.08Å; T1709-E1758 PolarHBondContact OG1-OE2 3.4Å; T1709-K1759 HydrophobicContact CG2-CB 3.75Å; T1709-K1759 WeakPolarHBondContact OG1-CB 3.41Å; T1709-K1759 WeakPolarHBondContact OG1-CD 3.45Å; T1709-I1763 HydrophobicContact CG2-CD1 3.74Å; T1709-I1763 HydrophobicContact CG2-CG2 3.71Å; T1709-I1763 PolarHBondContact N-O 2.93Å; T1709-I1763 VanDerWaalsContact N-O 3.15Å; T1709-I1763 WeakPolarHBondContact OG1-CG2 3.12Å; T1709-K1765 HydrophobicContact CG2-CB 4.32Å; T1709-K1765 HydrophobicContact CG2-CG 4.25Å |
| 1710 | N | 73.5 | Confident | 78.6 | Confident | 83 Ų | 83 | 52 Ų | 52 | 44% | 0.444 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.9 | 3.1 | 173.6 | 72.9 | 0.6 | 0 | 0 | 0 | 114.2 | L1708 Q1712 E1758 | L1708-N1710 VanDerWaalsContact CB-OD1 3.26Å; L1708-N1710 WeakPolarHBondContact CB-OD1 3.32Å; L1708-N1710 PolarHBondContact O-N 3.15Å; L1708-N1710 VanDerWaalsContact O-N 3.12Å; N1710-Q1712 VanDerWaalsContact C-N 3.34Å; N1710-Q1712 VanDerWaalsContact ND2-CD 3.27Å; N1710-Q1712 PolarHBondContact ND2-OE1 3.25Å; N1710-Q1712 PolarHBondContact O-N 2.98Å; N1710-Q1712 VanDerWaalsContact OD1-CB 3.29Å; N1710-Q1712 WeakPolarHBondContact OD1-CB 3.36Å; N1710-Q1712 WeakPolarHBondContact OD1-CG 3.44Å; N1710-Q1712 PolarHBondContact OD1-N 3.15Å; N1710-E1758 WeakPolarHBondContact CA-OE1 3.18Å; N1710-E1758 PolarHBondContact N-OE1 3.27Å |
| 1711 | G | 72.6 | Confident | 77.6 | Confident | 43.4 Ų | 43.4 | 59.8 Ų | 59.8 | 45% | 0.447 | 30% | 0.302 | S | S | . | . | S | Bend | trans | 84.9 | -6 | 180 | 0 | 0 | 0 | 0 | 0 | 115.2 | N1651 L1708 T1709 | N1651-G1711 PolarHBondContact ND2-O 3.34Å; L1708-G1711 PolarHBondContact O-N 2.97Å; T1709-G1711 VanDerWaalsContact C-N 3.34Å; T1709-G1711 PolarHBondContact O-N 3.09Å; T1709-G1711 VanDerWaalsContact O-N 3.15Å |
| 1712 | Q | 75.5 | Confident | 76.7 | Confident | 118.8 Ų | 118.8 | 58.4 Ų | 58.4 | 56% | 0.555 | 30% | 0.296 | S | S | * | . | trans | -80.9 | 138.8 | 175.6 | -61.1 | 179.9 | -15.6 | 0 | 0 | 110.5 | P1707 L1708 N1710 I1714 | P1707-Q1712 WeakPolarHBondContact CA-O 3.35Å; L1708-Q1712 WeakPolarHBondContact CA-O 3.19Å; L1708-Q1712 WeakPolarHBondContact CB-O 3.41Å; L1708-Q1712 PolarHBondContact N-O 3.26Å; N1710-Q1712 VanDerWaalsContact C-N 3.34Å; N1710-Q1712 VanDerWaalsContact ND2-CD 3.27Å; N1710-Q1712 PolarHBondContact ND2-OE1 3.25Å; N1710-Q1712 PolarHBondContact O-N 2.98Å; N1710-Q1712 VanDerWaalsContact OD1-CB 3.29Å; N1710-Q1712 WeakPolarHBondContact OD1-CB 3.36Å; N1710-Q1712 WeakPolarHBondContact OD1-CG 3.44Å; N1710-Q1712 PolarHBondContact OD1-N 3.15Å; Q1712-I1714 HydrophobicContact CB-CG2 4.44Å | ||
| 1713 | C | 78 | Confident | 75.8 | Confident | 33.4 Ų | 33.4 | 61.2 Ų | 61.2 | 23% | 0.226 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 125.1 | 171.2 | -76.2 | 0 | 0 | 0 | 0 | 109.4 | I1650 N1651 P1704 I1705 F1706 | I1650-C1713 HydrophobicContact CG2-CB 4.39Å; I1650-C1713 VanDerWaalsContact CG2-SG 3.58Å; I1650-C1713 WeakPolarHBondContact CG2-SG 3.17Å; N1651-C1713 PolarHBondContact ND2-SG 2.9Å; N1651-C1713 VanDerWaalsContact ND2-SG 3.44Å; P1704-C1713 HydrophobicContact CB-CB 3.02Å; P1704-C1713 HydrophobicContact CG-CB 4.38Å; P1704-C1713 WeakPolarHBondContact O-CB 3.31Å; P1704-C1713 PolarHBondContact O-SG 3.03Å; I1705-C1713 VanDerWaalsContact CA-SG 3.58Å; F1706-C1713 PolarHBondContact N-SG 3.21Å; F1706-C1713 VanDerWaalsContact N-SG 3.36Å; F1706-C1713 CarbonylContact O-C 3.48Å; F1706-C1713 WeakPolarHBondContact O-CA 3.41Å |
| 1714 | I | 79.3 | Confident | 74.7 | Confident | 21.6 Ų | 21.6 | 64.1 Ų | 64.1 | 11% | 0.111 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 155.6 | -173.8 | 50.1 | 159.9 | 0 | 0 | 0 | 111.9 | P1704 I1705 F1706 L1708 Q1712 Q1720 V1732 | P1704-I1714 CarbonylContact C-O 3.56Å; P1704-I1714 WeakPolarHBondContact CA-O 3.4Å; I1705-I1714 PolarHBondContact N-O 3.37Å; F1706-I1714 HydrophobicContact CB-CG1 4.17Å; F1706-I1714 PolarHBondContact N-O 3.16Å; F1706-I1714 WeakPolarHBondContact O-CG1 3.4Å; F1706-I1714 PolarHBondContact O-N 3.16Å; F1706-I1714 VanDerWaalsContact O-N 3.09Å; L1708-I1714 HydrophobicContact CD1-CD1 3.93Å; L1708-I1714 HydrophobicContact CD1-CG1 4.09Å; L1708-I1714 VanDerWaalsContact CD1-CG1 3.43Å; L1708-I1714 HydrophobicContact CD1-CG2 3.79Å; L1708-I1714 HydrophobicContact CD2-CD1 3.79Å; L1708-I1714 HydrophobicContact CD2-CG1 4.17Å; L1708-I1714 HydrophobicContact CG-CD1 3.98Å; L1708-I1714 HydrophobicContact CG-CG1 3.96Å; L1708-I1714 HydrophobicContact CG-CG2 4.19Å; Q1712-I1714 HydrophobicContact CB-CG2 4.44Å; I1714-Q1720 HydrophobicContact CD1-CG 4.12Å; I1714-V1732 HydrophobicContact CD1-CB 4.41Å; I1714-V1732 HydrophobicContact CD1-CG1 4.22Å; I1714-V1732 HydrophobicContact CD1-CG2 3.41Å; I1714-V1732 VanDerWaalsContact CD1-CG2 3.41Å |
| 1715 | R | 80.1 | Confident | 73.6 | Confident | 100 Ų | 100 | 63.5 Ų | 63.5 | 38% | 0.377 | 32% | 0.315 | S | S | . | . | trans | -91.6 | 142.9 | 164.3 | -53 | 174.7 | 176.4 | 141.6 | -0.1 | 108.8 | H1702 L1703 P1704 N1717 D1718 Q1720 | H1702-R1715 VanDerWaalsContact O-CD 3.23Å; H1702-R1715 WeakPolarHBondContact O-CD 3.39Å; H1702-R1715 WeakPolarHBondContact O-CG 3.3Å; H1702-R1715 PolarHBondContact O-NE 3.21Å; H1702-R1715 VanDerWaalsContact O-NE 3.14Å; L1703-R1715 WeakPolarHBondContact O-CA 3.45Å; P1704-R1715 HydrophobicContact CB-CG 4.08Å; R1715-N1717 VanDerWaalsContact C-N 3.31Å; R1715-N1717 PolarHBondContact O-N 3.27Å; R1715-D1718 HydrophobicContact CB-CB 4.28Å; R1715-D1718 WeakPolarHBondContact CB-OD2 3.28Å; R1715-D1718 VanDerWaalsContact CD-OD2 3.26Å; R1715-D1718 WeakPolarHBondContact CD-OD2 3.46Å; R1715-D1718 VanDerWaalsContact CG-OD2 3.23Å; R1715-D1718 WeakPolarHBondContact CG-OD2 3.3Å; R1715-D1718 IonicContact CZ-OD2 3.71Å; R1715-D1718 PolarHBondContact N-OD2 3.04Å; R1715-D1718 IonicContact NE-OD2 2.68Å; R1715-D1718 IonicContact NH1-OD1 3.13Å; R1715-D1718 IonicContact NH1-OD2 2.76Å; R1715-D1718 PolarHBondContact NH1-OD2 2.87Å; R1715-D1718 WeakPolarHBondContact O-CB 3.32Å; R1715-D1718 PolarHBondContact O-N 3.1Å; R1715-D1718 VanDerWaalsContact O-N 3.14Å; R1715-Q1720 PolarHBondContact O-NE2 3.04Å | ||
| 1716 | L | 79.8 | Confident | 72.5 | Confident | 45.2 Ų | 45.2 | 68.9 Ų | 68.9 | 24% | 0.237 | 34% | 0.343 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | -26.3 | 178.7 | -67.2 | 168.9 | 0 | 0 | 0 | 113.2 | Q1701 F1706 D1718 V1732 L1792 I1794 | Q1701-L1716 HydrophobicContact CB-CB 4.24Å; Q1701-L1716 HydrophobicContact CG-CB 4.26Å; Q1701-L1716 HydrophobicContact CG-CD1 4.3Å; Q1701-L1716 PolarHBondContact O-N 3.13Å; Q1701-L1716 VanDerWaalsContact O-N 3.11Å; F1706-L1716 HydrophobicContact CD1-CD1 4.43Å; F1706-L1716 HydrophobicContact CD1-CD2 4.4Å; F1706-L1716 HydrophobicContact CD1-CG 4.44Å; F1706-L1716 HydrophobicContact CD2-CD1 4.13Å; F1706-L1716 HydrophobicContact CD2-CD2 4.15Å; F1706-L1716 HydrophobicContact CD2-CG 3.7Å; F1706-L1716 HydrophobicContact CE1-CD1 3.99Å; F1706-L1716 HydrophobicContact CE1-CG 4.35Å; F1706-L1716 HydrophobicContact CE2-CD1 3.57Å; F1706-L1716 HydrophobicContact CE2-CD2 4.42Å; F1706-L1716 HydrophobicContact CE2-CG 3.79Å; F1706-L1716 HydrophobicContact CG-CD2 4.14Å; F1706-L1716 HydrophobicContact CG-CG 4.18Å; F1706-L1716 HydrophobicContact CZ-CD1 3.49Å; F1706-L1716 VanDerWaalsContact CZ-CD1 3.45Å; F1706-L1716 HydrophobicContact CZ-CG 4.02Å; L1716-D1718 VanDerWaalsContact C-N 3.28Å; L1716-D1718 PolarHBondContact O-N 3.29Å; L1716-V1732 HydrophobicContact CD2-CB 4.12Å; L1716-V1732 HydrophobicContact CD2-CG1 4.22Å; L1716-V1732 HydrophobicContact CD2-CG2 4.32Å; L1716-L1792 HydrophobicContact CD1-CB 4.42Å; L1716-L1792 HydrophobicContact CD1-CD1 3.84Å; L1716-L1792 HydrophobicContact CD1-CD2 4.2Å; L1716-L1792 HydrophobicContact CD1-CG 4.36Å; L1716-I1794 HydrophobicContact CD1-CD1 3.62Å; L1716-I1794 HydrophobicContact CD1-CG1 4.25Å; L1716-I1794 HydrophobicContact CD2-CD1 4.06Å; L1716-I1794 HydrophobicContact CG-CD1 4.47Å |
| 1717 | N | 75.8 | Confident | 71.5 | Confident | 84.8 Ų | 84.8 | 74.6 Ų | 74.6 | 45% | 0.453 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.9 | -5 | 177.8 | -141.5 | 29.6 | 0 | 0 | 0 | 113.6 | Q1701 H1702 R1715 K1719 | Q1701-N1717 HydrophobicContact CB-CB 4.3Å; Q1701-N1717 WeakPolarHBondContact CB-ND2 3.48Å; Q1701-N1717 VanDerWaalsContact O-CB 3.29Å; Q1701-N1717 WeakPolarHBondContact O-CB 3.37Å; Q1701-N1717 PolarHBondContact O-N 3.13Å; Q1701-N1717 PolarHBondContact OE1-ND2 2.78Å; H1702-N1717 PolarHBondContact CE1-ND2 3.2Å; H1702-N1717 VanDerWaalsContact CE1-ND2 3.3Å; H1702-N1717 PolarHBondContact NE2-ND2 2.64Å; R1715-N1717 VanDerWaalsContact C-N 3.31Å; R1715-N1717 PolarHBondContact O-N 3.27Å; N1717-K1719 VanDerWaalsContact O-CG 3.25Å; N1717-K1719 WeakPolarHBondContact O-CG 3.25Å; N1717-K1719 PolarHBondContact O-N 3.1Å; N1717-K1719 VanDerWaalsContact O-N 3.1Å |
| 1718 | D | 74.8 | Confident | 70.6 | Confident | 77 Ų | 77 | 76.5 Ų | 76.5 | 41% | 0.412 | 38% | 0.383 | S | S | . | . | S | Bend | trans | -72.5 | 122.3 | 173.2 | -72.8 | -18 | 0 | 0 | 0 | 109.1 | R1715 L1716 Q1720 | R1715-D1718 HydrophobicContact CB-CB 4.28Å; R1715-D1718 WeakPolarHBondContact CB-OD2 3.28Å; R1715-D1718 VanDerWaalsContact CD-OD2 3.26Å; R1715-D1718 WeakPolarHBondContact CD-OD2 3.46Å; R1715-D1718 VanDerWaalsContact CG-OD2 3.23Å; R1715-D1718 WeakPolarHBondContact CG-OD2 3.3Å; R1715-D1718 IonicContact CZ-OD2 3.71Å; R1715-D1718 PolarHBondContact N-OD2 3.04Å; R1715-D1718 IonicContact NE-OD2 2.68Å; R1715-D1718 IonicContact NH1-OD1 3.13Å; R1715-D1718 IonicContact NH1-OD2 2.76Å; R1715-D1718 PolarHBondContact NH1-OD2 2.87Å; R1715-D1718 WeakPolarHBondContact O-CB 3.32Å; R1715-D1718 PolarHBondContact O-N 3.1Å; R1715-D1718 VanDerWaalsContact O-N 3.14Å; L1716-D1718 VanDerWaalsContact C-N 3.28Å; L1716-D1718 PolarHBondContact O-N 3.29Å; D1718-Q1720 VanDerWaalsContact C-N 3.31Å; D1718-Q1720 PolarHBondContact O-N 3.16Å; D1718-Q1720 PolarHBondContact O-NE2 3.01Å |
| 1719 | K | 70 | Confident | 70.2 | Confident | 160.8 Ų | 160.8 | 79.9 Ų | 79.9 | 70% | 0.699 | 40% | 0.399 | S | S | * | . | trans | -66.5 | 100 | 178.8 | -76.3 | 178.5 | 165.5 | -161.8 | 0 | 110.4 | N1717 K1721 H1729 | N1717-K1719 VanDerWaalsContact O-CG 3.25Å; N1717-K1719 WeakPolarHBondContact O-CG 3.25Å; N1717-K1719 PolarHBondContact O-N 3.1Å; N1717-K1719 VanDerWaalsContact O-N 3.1Å; K1719-K1721 PolarHBondContact O-N 3.29Å; K1719-H1729 HydrophobicContact CB-CB 4.34Å; K1719-H1729 WeakPolarHBondContact CD-NE2 3.43Å; K1719-H1729 VanDerWaalsContact CE-CD2 3.43Å; K1719-H1729 WeakPolarHBondContact CE-CD2 3.39Å; K1719-H1729 WeakPolarHBondContact CE-NE2 3.43Å; K1719-H1729 HydrophobicContact CG-CB 4.41Å; K1719-H1729 VanDerWaalsContact CG-CD2 3.46Å; K1719-H1729 WeakPolarHBondContact CG-CD2 3.27Å; K1719-H1729 PolarHBondContact NZ-CD2 2.99Å; K1719-H1729 VanDerWaalsContact NZ-CD2 3.27Å; K1719-H1729 PolarHBondContact NZ-NE2 2.72Å | ||
| 1720 | Q | 70.8 | Confident | 70 | Confident | 48.2 Ų | 48.2 | 79.2 Ų | 79.2 | 23% | 0.225 | 40% | 0.395 | C | S | . | . | P | Polyproline II helix | trans | -74.5 | 135.4 | 170.9 | -63.1 | -65.1 | -43.8 | 0 | 0 | 110.1 | I1714 R1715 D1718 H1722 H1729 P1730 V1732 P1762 | I1714-Q1720 HydrophobicContact CD1-CG 4.12Å; R1715-Q1720 PolarHBondContact O-NE2 3.04Å; D1718-Q1720 VanDerWaalsContact C-N 3.31Å; D1718-Q1720 PolarHBondContact O-N 3.16Å; D1718-Q1720 PolarHBondContact O-NE2 3.01Å; Q1720-H1722 PolarHBondContact O-CD2 3.21Å; Q1720-H1722 PolarHBondContact O-N 3.08Å; Q1720-H1729 VanDerWaalsContact O-CA 3.27Å; Q1720-H1729 WeakPolarHBondContact O-CA 3.35Å; Q1720-H1729 WeakPolarHBondContact O-CB 3.45Å; Q1720-H1729 PolarHBondContact O-ND1 3.08Å; Q1720-P1730 HydrophobicContact CB-CG 4.38Å; Q1720-P1730 WeakPolarHBondContact O-CD 3.35Å; Q1720-V1732 HydrophobicContact CG-CG2 3.82Å; Q1720-P1762 HydrophobicContact CB-CG 4.29Å; Q1720-P1762 HydrophobicContact CG-CB 4.41Å; Q1720-P1762 HydrophobicContact CG-CG 4.27Å |
| 1721 | K | 64 | Low | 70.1 | Confident | 164.2 Ų | 164.2 | 79 Ų | 79 | 71% | 0.714 | 40% | 0.396 | S | S | * | . | P | Polyproline II helix | trans | -90.9 | 127.2 | 177 | -67.8 | -177.9 | 178.2 | -176.4 | 0 | 108.5 | K1719 N1726 | K1719-K1721 PolarHBondContact O-N 3.29Å; K1721-N1726 WeakPolarHBondContact CD-OD1 3.34Å; K1721-N1726 VanDerWaalsContact CE-OD1 3.3Å; K1721-N1726 WeakPolarHBondContact CE-OD1 3.34Å; K1721-N1726 PolarHBondContact NZ-OD1 3.23Å |
| 1722 | H | 65.5 | Low | 70.5 | Confident | 33.6 Ų | 33.6 | 78 Ų | 78 | 16% | 0.156 | 38% | 0.381 | C | S | . | . | B | Isolated β-bridge | trans | -81.8 | 146.3 | 169 | -149.7 | -92 | 0 | 0 | 0 | 109.6 | Q1720 W1724 S1725 I1728 P1730 E1758 G1761 Y1810 W1830 | Q1720-H1722 PolarHBondContact O-CD2 3.21Å; Q1720-H1722 PolarHBondContact O-N 3.08Å; H1722-W1724 HydrophobicContact CB-CD2 4.5Å; H1722-W1724 HydrophobicContact CB-CZ2 4.01Å; H1722-W1724 AromaticContact CE1-CD1 3.73Å; H1722-W1724 AromaticContact CE1-CE2 3.62Å; H1722-W1724 AromaticContact CE1-CE3 3.48Å; H1722-W1724 VanDerWaalsContact CE1-CE3 3.48Å; H1722-W1724 AromaticContact CE1-CZ3 3.4Å; H1722-W1724 WeakPolarHBondContact CE1-CZ3 3.39Å; H1722-W1724 AromaticContact CE1-NE1 3.25Å; H1722-W1724 PolarHBondContact CE1-NE1 3.14Å; H1722-W1724 VanDerWaalsContact CE1-NE1 3.29Å; H1722-W1724 AromaticContact CG-CD1 3.91Å; H1722-W1724 AromaticContact CG-CE2 3.83Å; H1722-W1724 AromaticContact CG-NE1 3.34Å; H1722-W1724 VanDerWaalsContact CG-NE1 3.34Å; H1722-W1724 AromaticContact ND1-CD1 3.49Å; H1722-W1724 AromaticContact ND1-CE2 3.72Å; H1722-W1724 AromaticContact ND1-CE3 3.73Å; H1722-W1724 AromaticContact ND1-NE1 3.3Å; H1722-W1724 PolarHBondContact ND1-NE1 2.85Å; H1722-W1724 AromaticContact NE2-CZ3 3.99Å; H1722-W1724 AromaticContact NE2-NE1 3.96Å; H1722-W1724 PolarHBondContact O-N 3.28Å; H1722-W1724 VanDerWaalsContact O-N 3.12Å; H1722-S1725 WeakPolarHBondContact CB-O 3.46Å; H1722-S1725 PolarHBondContact N-O 3.11Å; H1722-S1725 PolarHBondContact O-N 3.15Å; H1722-I1728 HydrophobicContact CB-CB 4.34Å; H1722-I1728 HydrophobicContact CB-CG2 4.36Å; H1722-I1728 PolarHBondContact N-O 3.11Å; H1722-P1730 HydrophobicContact CB-CG 4.37Å; H1722-E1758 PolarHBondContact CE1-O 2.87Å; H1722-E1758 PolarHBondContact NE2-O 2.82Å; H1722-E1758 VanDerWaalsContact NE2-O 3.08Å; H1722-G1761 VanDerWaalsContact CD2-C 3.49Å; H1722-G1761 VanDerWaalsContact CD2-CA 3.46Å; H1722-G1761 WeakPolarHBondContact CD2-CA 3.43Å; H1722-G1761 WeakPolarHBondContact NE2-CA 3.34Å; H1722-G1761 PolarHBondContact NE2-N 3.33Å; H1722-G1761 PolarHBondContact NE2-O 2.94Å; H1722-Y1810 AromaticContact CE1-CD2 3.65Å; H1722-Y1810 AromaticContact CE1-CE2 3.5Å; H1722-Y1810 VanDerWaalsContact CE1-CE2 3.42Å; H1722-Y1810 WeakPolarHBondContact CE1-CE2 3.47Å; H1722-Y1810 AromaticContact ND1-CD2 3.8Å; H1722-Y1810 AromaticContact ND1-CE2 3.4Å; H1722-Y1810 VanDerWaalsContact ND1-CE2 3.3Å; H1722-Y1810 WeakPolarHBondContact ND1-CE2 3.42Å; H1722-Y1810 AromaticContact NE2-CD2 3.91Å; H1722-W1830 AromaticContact CE1-CE2 3.75Å; H1722-W1830 AromaticContact CE1-NE1 3.7Å; H1722-W1830 AromaticContact NE2-CE2 3.72Å; H1722-W1830 AromaticContact NE2-CZ2 3.76Å; H1722-W1830 AromaticContact NE2-NE1 3.35Å; H1722-W1830 PolarHBondContact NE2-NE1 3.08Å |
| 1723 | F | 62.7 | Low | 70.8 | Confident | 140 Ų | 140 | 73.2 Ų | 73.2 | 61% | 0.614 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | -17.3 | -172.1 | -81 | -86.4 | 0 | 0 | 0 | 114.5 | E1758 K1759 | F1723-E1758 WeakPolarHBondContact CZ-O 3.44Å; F1723-K1759 WeakPolarHBondContact CE2-O 3.47Å; F1723-K1759 HydrophobicContact CZ-CB 4.35Å; F1723-K1759 WeakPolarHBondContact CZ-O 3.23Å |
| 1724 | W | 60.8 | Low | 71 | Confident | 70.2 Ų | 70.2 | 72.2 Ų | 72.2 | 27% | 0.266 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -123.1 | 13.2 | -176.1 | -8.7 | -68.2 | 0 | 0 | 0 | 114.4 | H1722 N1726 P1730 L1760 Y1810 I1826 Q1827 W1830 Y1831 | H1722-W1724 HydrophobicContact CB-CD2 4.5Å; H1722-W1724 HydrophobicContact CB-CZ2 4.01Å; H1722-W1724 AromaticContact CE1-CD1 3.73Å; H1722-W1724 AromaticContact CE1-CE2 3.62Å; H1722-W1724 AromaticContact CE1-CE3 3.48Å; H1722-W1724 VanDerWaalsContact CE1-CE3 3.48Å; H1722-W1724 AromaticContact CE1-CZ3 3.4Å; H1722-W1724 WeakPolarHBondContact CE1-CZ3 3.39Å; H1722-W1724 AromaticContact CE1-NE1 3.25Å; H1722-W1724 PolarHBondContact CE1-NE1 3.14Å; H1722-W1724 VanDerWaalsContact CE1-NE1 3.29Å; H1722-W1724 AromaticContact CG-CD1 3.91Å; H1722-W1724 AromaticContact CG-CE2 3.83Å; H1722-W1724 AromaticContact CG-NE1 3.34Å; H1722-W1724 VanDerWaalsContact CG-NE1 3.34Å; H1722-W1724 AromaticContact ND1-CD1 3.49Å; H1722-W1724 AromaticContact ND1-CE2 3.72Å; H1722-W1724 AromaticContact ND1-CE3 3.73Å; H1722-W1724 AromaticContact ND1-NE1 3.3Å; H1722-W1724 PolarHBondContact ND1-NE1 2.85Å; H1722-W1724 AromaticContact NE2-CZ3 3.99Å; H1722-W1724 AromaticContact NE2-NE1 3.96Å; H1722-W1724 PolarHBondContact O-N 3.28Å; H1722-W1724 VanDerWaalsContact O-N 3.12Å; W1724-N1726 PolarHBondContact O-N 3.1Å; W1724-P1730 HydrophobicContact CH2-CB 4.46Å; W1724-P1730 HydrophobicContact CH2-CG 4.34Å; W1724-P1730 HydrophobicContact CZ2-CG 4.29Å; W1724-L1760 WeakPolarHBondContact CZ2-O 2.86Å; W1724-L1760 PolarHBondContact NE1-O 3Å; W1724-Y1810 HydrophobicContact CH2-CD1 4.14Å; W1724-Y1810 AromaticContact CH2-CE1 3Å; W1724-Y1810 HydrophobicContact CH2-CE1 3Å; W1724-Y1810 HydrophobicContact CH2-CE2 4.44Å; W1724-Y1810 AromaticContact CH2-CZ 3.21Å; W1724-Y1810 WeakPolarHBondContact CH2-OH 3.37Å; W1724-Y1810 HydrophobicContact CZ2-CD1 4.08Å; W1724-Y1810 AromaticContact CZ2-CE1 3.27Å; W1724-Y1810 HydrophobicContact CZ2-CE1 3.27Å; W1724-Y1810 HydrophobicContact CZ2-CE2 4.36Å; W1724-Y1810 AromaticContact CZ2-CZ 3.45Å; W1724-Y1810 VanDerWaalsContact CZ2-CZ 3.45Å; W1724-Y1810 AromaticContact CZ3-CE1 3.79Å; W1724-Y1810 HydrophobicContact CZ3-CE1 3.79Å; W1724-Y1810 AromaticContact CZ3-CZ 3.54Å; W1724-Y1810 WeakPolarHBondContact CZ3-OH 3.46Å; W1724-I1826 HydrophobicContact CB-CG2 4.02Å; W1724-I1826 HydrophobicContact CG-CG2 4.26Å; W1724-I1826 WeakPolarHBondContact CH2-O 3.42Å; W1724-I1826 HydrophobicContact CZ2-CB 3.96Å; W1724-I1826 HydrophobicContact CZ2-CG2 3.78Å; W1724-I1826 WeakPolarHBondContact CZ2-O 3.36Å; W1724-I1826 VanDerWaalsContact NE1-CB 3.25Å; W1724-Q1827 HydrophobicContact CB-CG 4.26Å; W1724-Q1827 HydrophobicContact CD2-CB 3.8Å; W1724-Q1827 HydrophobicContact CD2-CG 3.94Å; W1724-Q1827 HydrophobicContact CE3-CB 4.03Å; W1724-Q1827 HydrophobicContact CE3-CG 3.73Å; W1724-Q1827 HydrophobicContact CG-CB 4.29Å; W1724-Q1827 HydrophobicContact CG-CG 3.98Å; W1724-Q1827 VanDerWaalsContact CH2-C 3.49Å; W1724-Q1827 HydrophobicContact CH2-CB 4.22Å; W1724-Q1827 VanDerWaalsContact CH2-CD 3.49Å; W1724-Q1827 HydrophobicContact CH2-CG 3.91Å; W1724-Q1827 VanDerWaalsContact CH2-NE2 3.32Å; W1724-Q1827 VanDerWaalsContact CH2-O 3.25Å; W1724-Q1827 WeakPolarHBondContact CH2-O 3.29Å; W1724-Q1827 HydrophobicContact CZ2-CB 4.25Å; W1724-Q1827 HydrophobicContact CZ2-CG 3.81Å; W1724-Q1827 HydrophobicContact CZ3-CB 4.02Å; W1724-Q1827 HydrophobicContact CZ3-CG 3.68Å; W1724-Q1827 WeakPolarHBondContact CZ3-O 3.43Å; W1724-W1830 HydrophobicContact CE3-CB 4.32Å; W1724-W1830 HydrophobicContact CE3-CG 4.15Å; W1724-W1830 HydrophobicContact CH2-CB 3.16Å; W1724-W1830 AromaticContact CH2-CD1 3.28Å; W1724-W1830 HydrophobicContact CH2-CD2 4.43Å; W1724-W1830 AromaticContact CH2-CG 3.61Å; W1724-W1830 HydrophobicContact CH2-CG 3.61Å; W1724-W1830 HydrophobicContact CZ2-CB 4.06Å; W1724-W1830 AromaticContact CZ2-CD2 3.85Å; W1724-W1830 HydrophobicContact CZ2-CD2 3.85Å; W1724-W1830 AromaticContact CZ2-CE3 3.6Å; W1724-W1830 HydrophobicContact CZ2-CE3 3.6Å; W1724-W1830 HydrophobicContact CZ2-CG 4.33Å; W1724-W1830 HydrophobicContact CZ2-CZ3 4.15Å; W1724-W1830 HydrophobicContact CZ3-CB 3.37Å; W1724-W1830 AromaticContact CZ3-CD1 3.17Å; W1724-W1830 AromaticContact CZ3-CD2 3.96Å; W1724-W1830 HydrophobicContact CZ3-CD2 3.98Å; W1724-W1830 HydrophobicContact CZ3-CE3 4.16Å; W1724-W1830 AromaticContact CZ3-CG 3.44Å; W1724-W1830 HydrophobicContact CZ3-CG 3.44Å; W1724-W1830 AromaticContact CZ3-NE1 3.71Å; W1724-W1830 VanDerWaalsContact NE1-CB 3.27Å; W1724-W1830 AromaticContact NE1-CD1 3.61Å; W1724-W1830 AromaticContact NE1-CD2 3.74Å; W1724-W1830 AromaticContact NE1-CG 3.22Å; W1724-Y1831 HydrophobicContact CH2-CE1 4.26Å; W1724-Y1831 HydrophobicContact CZ2-CE1 4.4Å |
| 1725 | S | 59.1 | Low | 71 | Confident | 33.4 Ų | 33.4 | 71.4 Ų | 71.4 | 23% | 0.234 | 35% | 0.348 | C | S | . | . | B | Isolated β-bridge | trans | -131.9 | 116.4 | 176.1 | 165.7 | 0 | 0 | 0 | 0 | 111.9 | H1722 D1727 I1728 Y1810 | H1722-S1725 WeakPolarHBondContact CB-O 3.46Å; H1722-S1725 PolarHBondContact N-O 3.11Å; H1722-S1725 PolarHBondContact O-N 3.15Å; S1725-D1727 VanDerWaalsContact C-N 3.29Å; S1725-D1727 PolarHBondContact OG-N 3.02Å; S1725-D1727 PolarHBondContact OG-OD2 3.11Å; S1725-I1728 PolarHBondContact OG-N 3Å; S1725-Y1810 WeakPolarHBondContact CB-OH 3.34Å |
| 1726 | N | 59.3 | Low | 71 | Confident | 117 Ų | 117 | 66.9 Ų | 66.9 | 63% | 0.626 | 33% | 0.332 | S | S | * | . | S | Bend | trans | -92 | -6.8 | 173.4 | -68.8 | -33.4 | 0 | 0 | 0 | 111.5 | K1721 W1724 H1729 | K1721-N1726 WeakPolarHBondContact CD-OD1 3.34Å; K1721-N1726 VanDerWaalsContact CE-OD1 3.3Å; K1721-N1726 WeakPolarHBondContact CE-OD1 3.34Å; K1721-N1726 PolarHBondContact NZ-OD1 3.23Å; W1724-N1726 PolarHBondContact O-N 3.1Å; N1726-H1729 PolarHBondContact O-CE1 3.05Å |
| 1727 | D | 61 | Low | 70.8 | Confident | 130.4 Ų | 130.4 | 65.7 Ų | 65.7 | 70% | 0.697 | 33% | 0.327 | S | S | * | . | S | Bend | trans | -91 | -5.1 | -175.1 | -52 | -43 | 0 | 0 | 0 | 113.4 | S1725 L1813 | S1725-D1727 VanDerWaalsContact C-N 3.29Å; S1725-D1727 PolarHBondContact OG-N 3.02Å; S1725-D1727 PolarHBondContact OG-OD2 3.11Å; D1727-L1813 HydrophobicContact CB-CD2 4.12Å |
| 1728 | I | 63.5 | Low | 70.8 | Confident | 50.8 Ų | 50.8 | 63.2 Ų | 63.2 | 26% | 0.261 | 32% | 0.316 | S | S | . | . | trans | -95.9 | 127.6 | 176.3 | -58.4 | 176.2 | 0 | 0 | 0 | 110.4 | H1722 S1725 P1730 Y1810 L1813 | H1722-I1728 HydrophobicContact CB-CB 4.34Å; H1722-I1728 HydrophobicContact CB-CG2 4.36Å; H1722-I1728 PolarHBondContact N-O 3.11Å; S1725-I1728 PolarHBondContact OG-N 3Å; I1728-P1730 VanDerWaalsContact O-CD 3.31Å; I1728-P1730 WeakPolarHBondContact O-CD 3.2Å; I1728-Y1810 HydrophobicContact CD1-CD2 3.39Å; I1728-Y1810 HydrophobicContact CD1-CE2 3.82Å; I1728-Y1810 HydrophobicContact CD1-CG 4.19Å; I1728-Y1810 HydrophobicContact CG1-CD2 4.44Å; I1728-L1813 HydrophobicContact CD1-CB 3.96Å; I1728-L1813 HydrophobicContact CD1-CD1 4.36Å; I1728-L1813 HydrophobicContact CD1-CD2 3.71Å; I1728-L1813 VanDerWaalsContact CD1-CD2 3.41Å; I1728-L1813 HydrophobicContact CD1-CG 4.34Å; I1728-L1813 HydrophobicContact CG1-CD1 4.14Å; I1728-L1813 HydrophobicContact CG1-CD2 3.44Å; I1728-L1813 VanDerWaalsContact CG1-CD2 3.44Å | ||
| 1729 | H | 70.4 | Confident | 70.8 | Confident | 86.6 Ų | 86.6 | 63.1 Ų | 63.1 | 40% | 0.401 | 32% | 0.321 | S | S | . | . | trans | -122.8 | 106 | 166.4 | -60.9 | -51.8 | 0 | 0 | 0 | 110.3 | K1719 Q1720 N1726 V1731 | K1719-H1729 HydrophobicContact CB-CB 4.34Å; K1719-H1729 WeakPolarHBondContact CD-NE2 3.43Å; K1719-H1729 VanDerWaalsContact CE-CD2 3.43Å; K1719-H1729 WeakPolarHBondContact CE-CD2 3.39Å; K1719-H1729 WeakPolarHBondContact CE-NE2 3.43Å; K1719-H1729 HydrophobicContact CG-CB 4.41Å; K1719-H1729 VanDerWaalsContact CG-CD2 3.46Å; K1719-H1729 WeakPolarHBondContact CG-CD2 3.27Å; K1719-H1729 PolarHBondContact NZ-CD2 2.99Å; K1719-H1729 VanDerWaalsContact NZ-CD2 3.27Å; K1719-H1729 PolarHBondContact NZ-NE2 2.72Å; Q1720-H1729 VanDerWaalsContact O-CA 3.27Å; Q1720-H1729 WeakPolarHBondContact O-CA 3.35Å; Q1720-H1729 WeakPolarHBondContact O-CB 3.45Å; Q1720-H1729 PolarHBondContact O-ND1 3.08Å; N1726-H1729 PolarHBondContact O-CE1 3.05Å; H1729-V1731 PolarHBondContact O-N 3.2Å | ||
| 1730 | P | 72.4 | Confident | 71 | Confident | 21 Ų | 21 | 59.1 Ų | 59.1 | 14% | 0.136 | 31% | 0.305 | C | S | . | . | P | Polyproline II helix | trans | -68 | 137.7 | -172.9 | 20.4 | -23.3 | 0 | 0 | 0 | 112.3 | Q1720 H1722 W1724 I1728 P1762 Q1795 | Q1720-P1730 HydrophobicContact CB-CG 4.38Å; Q1720-P1730 WeakPolarHBondContact O-CD 3.35Å; H1722-P1730 HydrophobicContact CB-CG 4.37Å; W1724-P1730 HydrophobicContact CH2-CB 4.46Å; W1724-P1730 HydrophobicContact CH2-CG 4.34Å; W1724-P1730 HydrophobicContact CZ2-CG 4.29Å; I1728-P1730 VanDerWaalsContact O-CD 3.31Å; I1728-P1730 WeakPolarHBondContact O-CD 3.2Å; P1730-P1762 HydrophobicContact CB-CG 4.25Å; P1730-P1762 HydrophobicContact CG-CG 3.97Å; P1730-Q1795 VanDerWaalsContact C-CB 3.43Å; P1730-Q1795 VanDerWaalsContact CA-CB 3.47Å; P1730-Q1795 HydrophobicContact CB-CB 3.33Å; P1730-Q1795 HydrophobicContact CB-CG 3.55Å |
| 1731 | V | 76.6 | Confident | 71.3 | Confident | 77.8 Ų | 77.8 | 57 Ų | 57 | 47% | 0.472 | 30% | 0.295 | S | S | . | . | P | Polyproline II helix | trans | -69.6 | 133.4 | 174.2 | -104.3 | 0 | 0 | 0 | 0 | 111.3 | H1729 L1733 Q1795 K1805 W1806 | H1729-V1731 PolarHBondContact O-N 3.2Å; V1731-L1733 HydrophobicContact CG1-CD2 4.44Å; V1731-L1733 HydrophobicContact CG2-CD2 3.97Å; V1731-L1733 HydrophobicContact CG2-CG 4.49Å; V1731-Q1795 VanDerWaalsContact C-C 3.46Å; V1731-Q1795 VanDerWaalsContact C-CB 3.45Å; V1731-Q1795 CarbonylContact C-O 3.54Å; V1731-Q1795 HydrophobicContact CB-CB 4.11Å; V1731-Q1795 CarbonylContact O-C 3.56Å; V1731-Q1795 WeakPolarHBondContact O-CA 3.2Å; V1731-Q1795 WeakPolarHBondContact O-CB 3.38Å; V1731-Q1795 PolarHBondContact O-N 3.09Å; V1731-K1805 HydrophobicContact CG2-CB 4.06Å; V1731-W1806 PolarHBondContact O-NE1 3.29Å |
| 1732 | V | 80.8 | Confident | 71.9 | Confident | 22.4 Ų | 22.4 | 52.6 Ų | 52.6 | 14% | 0.136 | 29% | 0.289 | C | S | . | . | P | Polyproline II helix | trans | -74.3 | 137.9 | 166.9 | 179.8 | 0 | 0 | 0 | 0 | 108.7 | L1708 I1714 L1716 Q1720 L1734 P1762 I1764 I1794 Q1795 I1796 A1797 | L1708-V1732 HydrophobicContact CD2-CG1 4.16Å; I1714-V1732 HydrophobicContact CD1-CB 4.41Å; I1714-V1732 HydrophobicContact CD1-CG1 4.22Å; I1714-V1732 HydrophobicContact CD1-CG2 3.41Å; I1714-V1732 VanDerWaalsContact CD1-CG2 3.41Å; L1716-V1732 HydrophobicContact CD2-CB 4.12Å; L1716-V1732 HydrophobicContact CD2-CG1 4.22Å; L1716-V1732 HydrophobicContact CD2-CG2 4.32Å; Q1720-V1732 HydrophobicContact CG-CG2 3.82Å; V1732-L1734 VanDerWaalsContact C-N 3.26Å; V1732-L1734 HydrophobicContact CB-CG 4.36Å; V1732-L1734 HydrophobicContact CG1-CG 4.19Å; V1732-L1734 WeakPolarHBondContact O-CB 3.46Å; V1732-L1734 PolarHBondContact O-N 3.4Å; V1732-P1762 WeakPolarHBondContact CA-O 3.35Å; V1732-P1762 HydrophobicContact CG2-CB 4.43Å; V1732-P1762 HydrophobicContact CG2-CG 4.35Å; V1732-I1764 HydrophobicContact CG1-CD1 3.94Å; V1732-I1764 HydrophobicContact CG1-CG1 3.75Å; V1732-I1794 WeakPolarHBondContact O-CG2 3.39Å; V1732-Q1795 WeakPolarHBondContact CA-O 3.37Å; V1732-Q1795 WeakPolarHBondContact CG2-O 3.38Å; V1732-Q1795 PolarHBondContact N-O 2.84Å; V1732-I1796 HydrophobicContact CG2-CB 4.31Å; V1732-I1796 HydrophobicContact CG2-CG2 4.34Å; V1732-A1797 HydrophobicContact CB-CB 3.77Å; V1732-A1797 HydrophobicContact CG2-CB 3.88Å |
| 1733 | L | 81.9 | Confident | 72.4 | Confident | 19.8 Ų | 19.8 | 55.5 Ų | 55.5 | 10% | 0.104 | 31% | 0.313 | C | S | . | . | B | Isolated β-bridge | trans | -107.9 | 141.3 | 176.6 | -63.1 | 174.8 | 0 | 0 | 0 | 111.8 | F1706 V1731 P1762 I1764 Q1795 A1797 I1801 V1802 W1806 | F1706-L1733 HydrophobicContact CB-CD1 4.45Å; F1706-L1733 HydrophobicContact CD1-CD1 3.34Å; F1706-L1733 HydrophobicContact CD2-CD1 3.45Å; F1706-L1733 VanDerWaalsContact CD2-CD1 3.45Å; F1706-L1733 HydrophobicContact CE1-CD1 3.24Å; F1706-L1733 HydrophobicContact CE2-CD1 3.34Å; F1706-L1733 HydrophobicContact CG-CD1 3.45Å; F1706-L1733 VanDerWaalsContact CG-CD1 3.45Å; F1706-L1733 HydrophobicContact CZ-CD1 3.23Å; V1731-L1733 HydrophobicContact CG1-CD2 4.44Å; V1731-L1733 HydrophobicContact CG2-CD2 3.97Å; V1731-L1733 HydrophobicContact CG2-CG 4.49Å; L1733-P1762 PolarHBondContact N-O 3.03Å; L1733-P1762 VanDerWaalsContact N-O 3.13Å; L1733-I1764 PolarHBondContact O-N 3Å; L1733-Q1795 WeakPolarHBondContact CA-O 3.37Å; L1733-Q1795 HydrophobicContact CD2-CB 3.85Å; L1733-Q1795 WeakPolarHBondContact CD2-O 3.42Å; L1733-A1797 HydrophobicContact CB-CB 3.81Å; L1733-A1797 HydrophobicContact CD1-CB 3.94Å; L1733-I1801 HydrophobicContact CD1-CG2 4.15Å; L1733-I1801 HydrophobicContact CD2-CG2 4.08Å; L1733-V1802 HydrophobicContact CD1-CG2 4.18Å; L1733-W1806 HydrophobicContact CB-CH2 4.27Å; L1733-W1806 HydrophobicContact CB-CZ2 3.81Å; L1733-W1806 HydrophobicContact CD1-CD2 4.01Å; L1733-W1806 VanDerWaalsContact CD1-CE2 3.46Å; L1733-W1806 HydrophobicContact CD1-CE3 4.33Å; L1733-W1806 HydrophobicContact CD1-CH2 4.04Å; L1733-W1806 HydrophobicContact CD1-CZ2 3.42Å; L1733-W1806 VanDerWaalsContact CD1-CZ2 3.46Å; L1733-W1806 HydrophobicContact CD1-CZ3 4.3Å; L1733-W1806 HydrophobicContact CG-CH2 4.34Å; L1733-W1806 HydrophobicContact CG-CZ2 3.46Å; L1733-W1806 VanDerWaalsContact CG-CZ2 3.47Å |
| 1734 | L | 81.3 | Confident | 73 | Confident | 10.6 Ų | 10.6 | 52.4 Ų | 52.4 | 6% | 0.055 | 30% | 0.302 | C | S | . | . | B | Isolated β-bridge | trans | -90.9 | 139.5 | 172.1 | -73.7 | 169.2 | 0 | 0 | 0 | 108.7 | V1732 P1736 I1764 F1769 Y1780 L1784 T1785 I1794 Q1795 I1796 A1797 W1806 | V1732-L1734 VanDerWaalsContact C-N 3.26Å; V1732-L1734 HydrophobicContact CB-CG 4.36Å; V1732-L1734 HydrophobicContact CG1-CG 4.19Å; V1732-L1734 WeakPolarHBondContact O-CB 3.46Å; V1732-L1734 PolarHBondContact O-N 3.4Å; L1734-P1736 WeakPolarHBondContact O-CD 3.46Å; L1734-I1764 HydrophobicContact CD2-CD1 3.71Å; L1734-I1764 HydrophobicContact CG-CD1 4.43Å; L1734-F1769 HydrophobicContact CD2-CE1 4.39Å; L1734-F1769 HydrophobicContact CD2-CE2 3.68Å; L1734-F1769 HydrophobicContact CD2-CZ 3.42Å; L1734-F1769 VanDerWaalsContact CD2-CZ 3.44Å; L1734-Y1780 HydrophobicContact CB-CE2 4.25Å; L1734-Y1780 HydrophobicContact CD1-CD1 4.33Å; L1734-Y1780 HydrophobicContact CD1-CD2 4.15Å; L1734-Y1780 HydrophobicContact CD1-CE2 4.37Å; L1734-Y1780 HydrophobicContact CD1-CG 4.17Å; L1734-Y1780 HydrophobicContact CD2-CD1 4.37Å; L1734-Y1780 HydrophobicContact CD2-CE1 4.41Å; L1734-L1784 HydrophobicContact CD1-CB 4.22Å; L1734-L1784 HydrophobicContact CD2-CD1 4.31Å; L1734-T1785 HydrophobicContact CD1-CG2 4.01Å; L1734-I1794 HydrophobicContact CD1-CB 4.13Å; L1734-I1794 HydrophobicContact CD1-CG2 4.12Å; L1734-I1794 HydrophobicContact CG-CB 4.3Å; L1734-I1794 HydrophobicContact CG-CG2 3.75Å; L1734-Q1795 PolarHBondContact N-O 3.19Å; L1734-I1796 HydrophobicContact CB-CG1 4.36Å; L1734-I1796 CarbonylContact O-C 3.53Å; L1734-A1797 HydrophobicContact CD1-CB 3.83Å; L1734-A1797 VanDerWaalsContact O-CB 3.27Å; L1734-A1797 WeakPolarHBondContact O-CB 3.37Å; L1734-A1797 PolarHBondContact O-N 3.15Å; L1734-W1806 HydrophobicContact CB-CH2 3.57Å; L1734-W1806 HydrophobicContact CB-CZ2 3.17Å; L1734-W1806 HydrophobicContact CB-CZ3 4.37Å; L1734-W1806 HydrophobicContact CD1-CD2 4.41Å; L1734-W1806 HydrophobicContact CD1-CZ2 4.13Å; L1734-W1806 HydrophobicContact CD2-CD2 3.82Å; L1734-W1806 HydrophobicContact CD2-CE3 3.7Å; L1734-W1806 HydrophobicContact CD2-CH2 3.73Å; L1734-W1806 HydrophobicContact CD2-CZ2 3.77Å; L1734-W1806 HydrophobicContact CD2-CZ3 3.61Å; L1734-W1806 HydrophobicContact CG-CD2 4.5Å; L1734-W1806 HydrophobicContact CG-CH2 4.16Å; L1734-W1806 HydrophobicContact CG-CZ2 3.82Å |
| 1735 | P | 81.2 | Confident | 73.8 | Confident | 5.8 Ų | 5.8 | 50.9 Ų | 50.9 | 4% | 0.038 | 30% | 0.299 | C | S | . | . | P | Polyproline II helix | trans | -63.3 | 140.5 | 172.1 | 23.5 | -27 | 0 | 0 | 0 | 110.7 | Y1753 I1754 L1756 I1763 I1764 P1766 F1769 Y1780 W1806 | P1735-Y1753 HydrophobicContact CB-CD2 4.06Å; P1735-Y1753 HydrophobicContact CB-CE2 3.88Å; P1735-Y1753 HydrophobicContact CG-CD2 4.3Å; P1735-Y1753 HydrophobicContact CG-CE2 3.98Å; P1735-I1754 HydrophobicContact CB-CD1 4.17Å; P1735-L1756 HydrophobicContact CB-CD2 4.47Å; P1735-L1756 HydrophobicContact CG-CD2 3.64Å; P1735-I1763 HydrophobicContact CB-CD1 4.12Å; P1735-I1763 HydrophobicContact CB-CG1 4.4Å; P1735-I1764 VanDerWaalsContact CD-O 3.29Å; P1735-I1764 WeakPolarHBondContact CD-O 3.27Å; P1735-I1764 WeakPolarHBondContact CG-O 3.42Å; P1735-P1766 HydrophobicContact CB-CB 4.42Å; P1735-P1766 HydrophobicContact CB-CG 3.96Å; P1735-P1766 HydrophobicContact CG-CB 4.35Å; P1735-P1766 HydrophobicContact CG-CG 4.25Å; P1735-F1769 HydrophobicContact CG-CD2 4.32Å; P1735-F1769 HydrophobicContact CG-CE2 4.33Å; P1735-Y1780 WeakPolarHBondContact CG-OH 3.4Å; P1735-Y1780 VanDerWaalsContact O-CE2 3.31Å; P1735-Y1780 WeakPolarHBondContact O-CE2 3.34Å; P1735-Y1780 VanDerWaalsContact O-CZ 3.32Å; P1735-Y1780 PolarHBondContact O-OH 3.29Å; P1735-W1806 HydrophobicContact CB-CH2 4.19Å; P1735-W1806 HydrophobicContact CG-CH2 3.48Å; P1735-W1806 VanDerWaalsContact CG-CH2 3.48Å; P1735-W1806 HydrophobicContact CG-CZ3 3.84Å; P1735-W1806 WeakPolarHBondContact O-CH2 3.18Å; P1735-W1806 WeakPolarHBondContact O-CZ2 3.28Å |
| 1736 | P | 78.8 | Confident | 74.5 | Confident | 4.4 Ų | 4.4 | 50.2 Ų | 50.2 | 3% | 0.029 | 29% | 0.292 | C | S | . | . | P | Polyproline II helix | trans | -67.3 | 159.4 | 174.3 | 28.7 | -34.9 | 0 | 0 | 0 | 111.5 | L1734 E1740 I1741 I1746 Y1750 Y1753 I1796 A1797 Y1798 | L1734-P1736 WeakPolarHBondContact O-CD 3.46Å; P1736-E1740 HydrophobicContact CB-CB 3.88Å; P1736-I1741 HydrophobicContact CB-CD1 3.74Å; P1736-I1741 HydrophobicContact CB-CG1 3.62Å; P1736-I1741 HydrophobicContact CB-CG2 3.57Å; P1736-I1741 VanDerWaalsContact CB-CG2 3.46Å; P1736-I1741 HydrophobicContact CG-CD1 4.04Å; P1736-I1741 HydrophobicContact CG-CG1 4.12Å; P1736-I1741 HydrophobicContact CG-CG2 3.45Å; P1736-I1746 HydrophobicContact CB-CD1 3.54Å; P1736-I1746 HydrophobicContact CG-CB 4.14Å; P1736-I1746 HydrophobicContact CG-CD1 3.23Å; P1736-I1746 HydrophobicContact CG-CG1 4.19Å; P1736-I1746 HydrophobicContact CG-CG2 4.09Å; P1736-Y1750 HydrophobicContact CG-CE2 4.5Å; P1736-Y1750 VanDerWaalsContact O-CE2 3.29Å; P1736-Y1750 WeakPolarHBondContact O-CE2 3.34Å; P1736-Y1750 PolarHBondContact O-OH 2.94Å; P1736-Y1750 VanDerWaalsContact O-OH 3.07Å; P1736-Y1753 HydrophobicContact CG-CE1 3.92Å; P1736-I1796 VanDerWaalsContact CA-CG2 3.43Å; P1736-I1796 HydrophobicContact CB-CG2 3.58Å; P1736-I1796 HydrophobicContact CG-CG2 4.18Å; P1736-A1797 WeakPolarHBondContact CG-O 3.46Å; P1736-Y1798 HydrophobicContact CB-CD1 3.95Å; P1736-Y1798 HydrophobicContact CB-CE1 3.77Å |
| 1737 | S | 76.2 | Confident | 75.1 | Confident | 20.2 Ų | 20.2 | 47.2 Ų | 47.2 | 14% | 0.141 | 29% | 0.289 | C | S | . | . | P | Polyproline II helix | trans | -68.1 | 148 | 173.6 | 73.8 | 0 | 0 | 0 | 0 | 110.8 | S1739 E1740 I1741 | S1737-S1739 VanDerWaalsContact C-N 3.28Å; S1737-S1739 PolarHBondContact O-N 3.32Å; S1737-S1739 PolarHBondContact OG-OG 3.27Å; S1737-E1740 VanDerWaalsContact CB-OE1 3.3Å; S1737-E1740 WeakPolarHBondContact CB-OE1 3.46Å; S1737-E1740 WeakPolarHBondContact CB-OE2 3.47Å; S1737-E1740 PolarHBondContact N-OE2 3.12Å; S1737-E1740 VanDerWaalsContact N-OE2 3.15Å; S1737-E1740 WeakPolarHBondContact O-CA 3.29Å; S1737-E1740 WeakPolarHBondContact O-CB 3.3Å; S1737-E1740 PolarHBondContact O-N 3.04Å; S1737-E1740 VanDerWaalsContact O-N 3.11Å; S1737-E1740 WeakPolarHBondContact OG-CB 3.41Å; S1737-E1740 VanDerWaalsContact OG-CG 3.31Å; S1737-E1740 WeakPolarHBondContact OG-CG 3.37Å; S1737-E1740 PolarHBondContact OG-N 3.23Å; S1737-E1740 PolarHBondContact OG-OE1 2.93Å; S1737-E1740 PolarHBondContact OG-OE2 2.92Å; S1737-I1741 VanDerWaalsContact O-CD1 3.23Å; S1737-I1741 WeakPolarHBondContact O-CD1 3.4Å; S1737-I1741 WeakPolarHBondContact O-CG1 3.49Å; S1737-I1741 PolarHBondContact O-N 3.11Å |
| 1738 | P | 75.8 | Confident | 75.8 | Confident | 33.2 Ų | 33.2 | 42.9 Ų | 42.9 | 22% | 0.216 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -56.3 | -35.5 | 178.4 | -26.6 | 34.1 | 0 | 0 | 0 | 113.4 | E1740 I1741 A1742 Y1750 L1771 Y1776 | P1738-E1740 VanDerWaalsContact C-N 3.27Å; P1738-E1740 PolarHBondContact O-N 3.36Å; P1738-I1741 PolarHBondContact O-N 3.08Å; P1738-A1742 VanDerWaalsContact O-CB 3.29Å; P1738-A1742 WeakPolarHBondContact O-CB 3.33Å; P1738-A1742 PolarHBondContact O-N 3.1Å; P1738-A1742 VanDerWaalsContact O-N 3.14Å; P1738-Y1750 HydrophobicContact CB-CD2 3.84Å; P1738-Y1750 HydrophobicContact CB-CE2 4.29Å; P1738-Y1750 HydrophobicContact CB-CG 4.15Å; P1738-Y1750 HydrophobicContact CG-CD1 4.17Å; P1738-Y1750 HydrophobicContact CG-CD2 3.85Å; P1738-Y1750 HydrophobicContact CG-CE1 4.23Å; P1738-Y1750 HydrophobicContact CG-CE2 3.83Å; P1738-Y1750 HydrophobicContact CG-CG 4.07Å; P1738-L1771 HydrophobicContact CG-CD2 3.58Å; P1738-Y1776 HydrophobicContact CB-CE1 4.29Å; P1738-Y1776 VanDerWaalsContact CD-CD1 3.47Å; P1738-Y1776 VanDerWaalsContact CD-CE1 3.42Å; P1738-Y1776 HydrophobicContact CG-CD1 3.94Å; P1738-Y1776 HydrophobicContact CG-CD2 3.84Å; P1738-Y1776 HydrophobicContact CG-CE1 3.73Å; P1738-Y1776 HydrophobicContact CG-CE2 3.74Å; P1738-Y1776 HydrophobicContact CG-CG 3.86Å; P1738-Y1776 VanDerWaalsContact CG-CZ 3.49Å |
| 1739 | S | 74.6 | Confident | 76.6 | Confident | 75.2 Ų | 75.2 | 44.1 Ų | 44.1 | 53% | 0.526 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -66 | -34.4 | 178 | 26.4 | 0 | 0 | 0 | 0 | 113.3 | S1737 Y1776 | S1737-S1739 VanDerWaalsContact C-N 3.28Å; S1737-S1739 PolarHBondContact O-N 3.32Å; S1737-S1739 PolarHBondContact OG-OG 3.27Å; S1739-Y1776 WeakPolarHBondContact OG-CB 3.37Å |
| 1740 | E | 74.6 | Confident | 77 | Confident | 75.4 Ų | 75.4 | 41.9 Ų | 41.9 | 35% | 0.352 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -73 | -35 | 179.3 | -74.8 | 159.3 | -177.9 | 0 | 0 | 112.5 | P1736 S1737 P1738 S1743 Y1798 | P1736-E1740 HydrophobicContact CB-CB 3.88Å; S1737-E1740 VanDerWaalsContact CB-OE1 3.3Å; S1737-E1740 WeakPolarHBondContact CB-OE1 3.46Å; S1737-E1740 WeakPolarHBondContact CB-OE2 3.47Å; S1737-E1740 PolarHBondContact N-OE2 3.12Å; S1737-E1740 VanDerWaalsContact N-OE2 3.15Å; S1737-E1740 WeakPolarHBondContact O-CA 3.29Å; S1737-E1740 WeakPolarHBondContact O-CB 3.3Å; S1737-E1740 PolarHBondContact O-N 3.04Å; S1737-E1740 VanDerWaalsContact O-N 3.11Å; S1737-E1740 WeakPolarHBondContact OG-CB 3.41Å; S1737-E1740 VanDerWaalsContact OG-CG 3.31Å; S1737-E1740 WeakPolarHBondContact OG-CG 3.37Å; S1737-E1740 PolarHBondContact OG-N 3.23Å; S1737-E1740 PolarHBondContact OG-OE1 2.93Å; S1737-E1740 PolarHBondContact OG-OE2 2.92Å; P1738-E1740 VanDerWaalsContact C-N 3.27Å; P1738-E1740 PolarHBondContact O-N 3.36Å; E1740-S1743 WeakPolarHBondContact CA-OG 3.21Å; E1740-S1743 PolarHBondContact O-N 2.82Å; E1740-S1743 PolarHBondContact O-OG 3.21Å; E1740-S1743 VanDerWaalsContact O-OG 3.11Å; E1740-Y1798 HydrophobicContact CB-CE1 4.08Å; E1740-Y1798 HydrophobicContact CG-CE1 4.43Å; E1740-Y1798 PolarHBondContact OE1-OH 3.16Å; E1740-Y1798 VanDerWaalsContact OE1-OH 3.14Å; E1740-Y1798 VanDerWaalsContact OE2-CE1 3.27Å; E1740-Y1798 WeakPolarHBondContact OE2-CE1 3.26Å; E1740-Y1798 VanDerWaalsContact OE2-CZ 3.25Å; E1740-Y1798 PolarHBondContact OE2-OH 3Å |
| 1741 | I | 76.3 | Confident | 77.4 | Confident | 4.8 Ų | 4.8 | 45.9 Ų | 45.9 | 3% | 0.025 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -89.7 | -19.3 | -177.6 | 30.7 | 162.9 | 0 | 0 | 0 | 113 | P1736 S1737 P1738 S1743 M1744 L1745 Y1750 Y1753 Y1798 | P1736-I1741 HydrophobicContact CB-CD1 3.74Å; P1736-I1741 HydrophobicContact CB-CG1 3.62Å; P1736-I1741 HydrophobicContact CB-CG2 3.57Å; P1736-I1741 VanDerWaalsContact CB-CG2 3.46Å; P1736-I1741 HydrophobicContact CG-CD1 4.04Å; P1736-I1741 HydrophobicContact CG-CG1 4.12Å; P1736-I1741 HydrophobicContact CG-CG2 3.45Å; S1737-I1741 VanDerWaalsContact O-CD1 3.23Å; S1737-I1741 WeakPolarHBondContact O-CD1 3.4Å; S1737-I1741 WeakPolarHBondContact O-CG1 3.49Å; S1737-I1741 PolarHBondContact O-N 3.11Å; P1738-I1741 PolarHBondContact O-N 3.08Å; I1741-S1743 PolarHBondContact O-N 3.1Å; I1741-S1743 VanDerWaalsContact O-N 3.09Å; I1741-M1744 HydrophobicContact CG2-CB 4.12Å; I1741-M1744 CarbonylContact O-C 3.55Å; I1741-M1744 WeakPolarHBondContact O-CA 3.33Å; I1741-M1744 WeakPolarHBondContact O-CB 3.45Å; I1741-M1744 PolarHBondContact O-N 3.03Å; I1741-L1745 HydrophobicContact CB-CG 4.42Å; I1741-L1745 HydrophobicContact CD1-CD1 3.96Å; I1741-L1745 HydrophobicContact CD1-CD2 4.2Å; I1741-L1745 HydrophobicContact CD1-CG 4.21Å; I1741-L1745 HydrophobicContact CG1-CD1 4.2Å; I1741-L1745 HydrophobicContact CG1-CG 4.27Å; I1741-L1745 HydrophobicContact CG2-CD2 3.69Å; I1741-L1745 HydrophobicContact CG2-CG 3.9Å; I1741-L1745 WeakPolarHBondContact O-CG 3.39Å; I1741-L1745 PolarHBondContact O-N 2.92Å; I1741-L1745 VanDerWaalsContact O-N 3.16Å; I1741-Y1750 HydrophobicContact CD1-CD2 3.5Å; I1741-Y1750 VanDerWaalsContact CD1-CD2 3.47Å; I1741-Y1750 HydrophobicContact CD1-CE2 3.73Å; I1741-Y1750 VanDerWaalsContact CD1-CE2 3.41Å; I1741-Y1750 HydrophobicContact CD1-CG 4.35Å; I1741-Y1750 HydrophobicContact CG1-CD2 3.91Å; I1741-Y1750 HydrophobicContact CG1-CE2 4.26Å; I1741-Y1750 HydrophobicContact CG2-CD2 4.45Å; I1741-Y1753 HydrophobicContact CD1-CD1 3.54Å; I1741-Y1753 HydrophobicContact CD1-CD2 3.62Å; I1741-Y1753 HydrophobicContact CD1-CE1 3.74Å; I1741-Y1753 VanDerWaalsContact CD1-CE1 3.45Å; I1741-Y1753 HydrophobicContact CD1-CE2 3.92Å; I1741-Y1753 HydrophobicContact CD1-CG 3.76Å; I1741-Y1753 HydrophobicContact CG1-CE1 4.42Å; I1741-Y1753 HydrophobicContact CG2-CE1 4.37Å; I1741-Y1753 HydrophobicContact CG2-CE2 4.29Å; I1741-Y1798 HydrophobicContact CG2-CD1 4.31Å |
| 1742 | A | 76.5 | Confident | 77.5 | Confident | 72.2 Ų | 72.2 | 45.5 Ų | 45.5 | 60% | 0.597 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.6 | -33.2 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | P1738 M1744 | P1738-A1742 VanDerWaalsContact O-CB 3.29Å; P1738-A1742 WeakPolarHBondContact O-CB 3.33Å; P1738-A1742 PolarHBondContact O-N 3.1Å; P1738-A1742 VanDerWaalsContact O-N 3.14Å; A1742-M1744 VanDerWaalsContact C-N 3.32Å; A1742-M1744 PolarHBondContact O-N 3.27Å |
| 1743 | S | 75.8 | Confident | 77.6 | Confident | 94.4 Ų | 94.4 | 44.5 Ų | 44.5 | 66% | 0.66 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.6 | -5.2 | 177.3 | 65.1 | 0 | 0 | 0 | 0 | 114.4 | E1740 I1741 L1745 | E1740-S1743 WeakPolarHBondContact CA-OG 3.21Å; E1740-S1743 PolarHBondContact O-N 2.82Å; E1740-S1743 PolarHBondContact O-OG 3.21Å; E1740-S1743 VanDerWaalsContact O-OG 3.11Å; I1741-S1743 PolarHBondContact O-N 3.1Å; I1741-S1743 VanDerWaalsContact O-N 3.09Å; S1743-L1745 PolarHBondContact O-N 2.85Å |
| 1744 | M | 76.6 | Confident | 77.6 | Confident | 73.8 Ų | 73.8 | 44.3 Ų | 44.3 | 36% | 0.364 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.5 | -13.6 | 176.5 | -71.7 | -179.4 | 132.7 | 0 | 0 | 114.3 | I1741 A1742 P1799 I1841 H1842 | I1741-M1744 HydrophobicContact CG2-CB 4.12Å; I1741-M1744 CarbonylContact O-C 3.55Å; I1741-M1744 WeakPolarHBondContact O-CA 3.33Å; I1741-M1744 WeakPolarHBondContact O-CB 3.45Å; I1741-M1744 PolarHBondContact O-N 3.03Å; A1742-M1744 VanDerWaalsContact C-N 3.32Å; A1742-M1744 PolarHBondContact O-N 3.27Å; M1744-P1799 HydrophobicContact CB-CG 4.45Å; M1744-P1799 HydrophobicContact CE-CB 4.01Å; M1744-P1799 HydrophobicContact CE-CG 3.74Å; M1744-P1799 HydrophobicContact SD-CG 3.95Å; M1744-I1841 HydrophobicContact CB-CG2 4.45Å; M1744-I1841 CarbonylContact O-C 3.54Å; M1744-I1841 WeakPolarHBondContact O-CA 3.38Å; M1744-H1842 VanDerWaalsContact CE-O 3.32Å; M1744-H1842 WeakPolarHBondContact CE-O 3.47Å; M1744-H1842 PolarHBondContact O-N 3.05Å |
| 1745 | L | 77.7 | Confident | 77.5 | Confident | 40.6 Ų | 40.6 | 48.7 Ų | 48.7 | 21% | 0.213 | 29% | 0.292 | C | S | . | . | B | Isolated β-bridge | trans | -86.6 | 121.7 | -175.7 | -65.9 | 178 | 0 | 0 | 0 | 112.3 | I1741 S1743 I1748 Y1753 I1841 | I1741-L1745 HydrophobicContact CB-CG 4.42Å; I1741-L1745 HydrophobicContact CD1-CD1 3.96Å; I1741-L1745 HydrophobicContact CD1-CD2 4.2Å; I1741-L1745 HydrophobicContact CD1-CG 4.21Å; I1741-L1745 HydrophobicContact CG1-CD1 4.2Å; I1741-L1745 HydrophobicContact CG1-CG 4.27Å; I1741-L1745 HydrophobicContact CG2-CD2 3.69Å; I1741-L1745 HydrophobicContact CG2-CG 3.9Å; I1741-L1745 WeakPolarHBondContact O-CG 3.39Å; I1741-L1745 PolarHBondContact O-N 2.92Å; I1741-L1745 VanDerWaalsContact O-N 3.16Å; S1743-L1745 PolarHBondContact O-N 2.85Å; L1745-I1748 HydrophobicContact CB-CG1 4.12Å; L1745-I1748 HydrophobicContact CD1-CG1 4.42Å; L1745-I1748 HydrophobicContact CD2-CD1 4.18Å; L1745-I1748 HydrophobicContact CD2-CG1 4.32Å; L1745-Y1753 HydrophobicContact CD2-CD2 3.52Å; L1745-Y1753 VanDerWaalsContact CD2-CD2 3.47Å; L1745-Y1753 HydrophobicContact CD2-CE2 4.15Å; L1745-Y1753 HydrophobicContact CD2-CG 3.78Å; L1745-I1841 HydrophobicContact CD2-CD1 3.31Å; L1745-I1841 HydrophobicContact CD2-CG1 4.5Å |
| 1746 | I | 74.1 | Confident | 77.5 | Confident | 17.8 Ų | 17.8 | 49.3 Ų | 49.3 | 9% | 0.091 | 30% | 0.295 | C | S | . | . | S | Bend | trans | -111.9 | 96.9 | -179.7 | -56 | 173.9 | 0 | 0 | 0 | 108.8 | P1736 I1748 L1840 H1842 N1957 Q1959 Q1960 R1963 | P1736-I1746 HydrophobicContact CB-CD1 3.54Å; P1736-I1746 HydrophobicContact CG-CB 4.14Å; P1736-I1746 HydrophobicContact CG-CD1 3.23Å; P1736-I1746 HydrophobicContact CG-CG1 4.19Å; P1736-I1746 HydrophobicContact CG-CG2 4.09Å; I1746-I1748 VanDerWaalsContact C-N 3.31Å; I1746-I1748 HydrophobicContact CG2-CB 4.1Å; I1746-I1748 HydrophobicContact CG2-CD1 3.37Å; I1746-I1748 HydrophobicContact CG2-CG1 3.5Å; I1746-I1748 VanDerWaalsContact CG2-CG1 3.5Å; I1746-I1748 PolarHBondContact O-N 2.96Å; I1746-L1840 WeakPolarHBondContact CB-O 3.48Å; I1746-L1840 PolarHBondContact N-O 2.94Å; I1746-H1842 HydrophobicContact CD1-CB 4.12Å; I1746-H1842 HydrophobicContact CG1-CB 4.26Å; I1746-N1957 HydrophobicContact CG2-CB 4.32Å; I1746-N1957 WeakPolarHBondContact CG2-ND2 3.42Å; I1746-Q1959 HydrophobicContact CG2-CB 3.79Å; I1746-Q1960 HydrophobicContact CB-CG 4.36Å; I1746-Q1960 HydrophobicContact CG2-CG 3.69Å; I1746-Q1960 PolarHBondContact O-NE2 3.19Å; I1746-R1963 VanDerWaalsContact CD1-CD 3.49Å |
| 1747 | G | 71.4 | Confident | 77.6 | Confident | 55 Ų | 55 | 49.2 Ų | 49.2 | 57% | 0.567 | 30% | 0.295 | S | S | * | . | S | Bend | trans | 60.2 | 22.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 1748 | I | 76.2 | Confident | 77.8 | Confident | 39.2 Ų | 39.2 | 51 Ų | 51 | 20% | 0.201 | 30% | 0.3 | C | S | . | . | trans | -122.4 | 149.7 | 173.3 | 45.3 | 165.6 | 0 | 0 | 0 | 109.2 | L1745 I1746 D1752 L1756 L1840 I1841 | L1745-I1748 HydrophobicContact CB-CG1 4.12Å; L1745-I1748 HydrophobicContact CD1-CG1 4.42Å; L1745-I1748 HydrophobicContact CD2-CD1 4.18Å; L1745-I1748 HydrophobicContact CD2-CG1 4.32Å; I1746-I1748 VanDerWaalsContact C-N 3.31Å; I1746-I1748 HydrophobicContact CG2-CB 4.1Å; I1746-I1748 HydrophobicContact CG2-CD1 3.37Å; I1746-I1748 HydrophobicContact CG2-CG1 3.5Å; I1746-I1748 VanDerWaalsContact CG2-CG1 3.5Å; I1746-I1748 PolarHBondContact O-N 2.96Å; I1748-D1752 HydrophobicContact CB-CB 3.92Å; I1748-D1752 HydrophobicContact CG2-CB 4.11Å; I1748-D1752 VanDerWaalsContact CG2-CB 3.43Å; I1748-L1756 HydrophobicContact CD1-CD2 4.33Å; I1748-L1840 HydrophobicContact CD1-CB 3.95Å; I1748-L1840 HydrophobicContact CD1-CD1 4.32Å; I1748-L1840 HydrophobicContact CG1-CB 4.43Å; I1748-L1840 HydrophobicContact CG2-CB 4.47Å; I1748-L1840 HydrophobicContact CG2-CD1 4.13Å; I1748-L1840 HydrophobicContact CG2-CD2 3.84Å; I1748-L1840 HydrophobicContact CG2-CG 4.4Å; I1748-I1841 HydrophobicContact CD1-CD1 4.17Å | ||
| 1749 | T | 78.8 | Confident | 78 | Confident | 75 Ų | 75 | 54.4 Ų | 54.4 | 46% | 0.46 | 31% | 0.312 | S | S | . | . | trans | -80.1 | 167.5 | 176.2 | 67.9 | 0 | 0 | 0 | 0 | 111.4 | D1751 D1752 Y1753 | T1749-D1751 VanDerWaalsContact C-N 3.29Å; T1749-D1751 PolarHBondContact O-N 3.18Å; T1749-D1751 PolarHBondContact OG1-N 3.37Å; T1749-D1752 VanDerWaalsContact CB-OD2 3.3Å; T1749-D1752 WeakPolarHBondContact CB-OD2 3.29Å; T1749-D1752 WeakPolarHBondContact CG2-OD2 3.3Å; T1749-D1752 PolarHBondContact N-OD2 3.2Å; T1749-D1752 PolarHBondContact O-N 3.04Å; T1749-D1752 VanDerWaalsContact O-N 3.07Å; T1749-D1752 PolarHBondContact OG1-N 3.11Å; T1749-D1752 PolarHBondContact OG1-OD2 3.27Å; T1749-Y1753 PolarHBondContact O-N 3.21Å; T1749-Y1753 VanDerWaalsContact O-N 3.13Å | ||
| 1750 | Y | 79.9 | Confident | 78.2 | Confident | 41.8 Ų | 41.8 | 51.4 Ų | 51.4 | 16% | 0.164 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -57.8 | -40.7 | 172.9 | -179.1 | -96.2 | 0 | 0 | 0 | 111.7 | P1736 P1738 I1741 D1752 Y1753 I1754 P1766 L1813 | P1736-Y1750 HydrophobicContact CG-CE2 4.5Å; P1736-Y1750 VanDerWaalsContact O-CE2 3.29Å; P1736-Y1750 WeakPolarHBondContact O-CE2 3.34Å; P1736-Y1750 PolarHBondContact O-OH 2.94Å; P1736-Y1750 VanDerWaalsContact O-OH 3.07Å; P1738-Y1750 HydrophobicContact CB-CD2 3.84Å; P1738-Y1750 HydrophobicContact CB-CE2 4.29Å; P1738-Y1750 HydrophobicContact CB-CG 4.15Å; P1738-Y1750 HydrophobicContact CG-CD1 4.17Å; P1738-Y1750 HydrophobicContact CG-CD2 3.85Å; P1738-Y1750 HydrophobicContact CG-CE1 4.23Å; P1738-Y1750 HydrophobicContact CG-CE2 3.83Å; P1738-Y1750 HydrophobicContact CG-CG 4.07Å; I1741-Y1750 HydrophobicContact CD1-CD2 3.5Å; I1741-Y1750 VanDerWaalsContact CD1-CD2 3.47Å; I1741-Y1750 HydrophobicContact CD1-CE2 3.73Å; I1741-Y1750 VanDerWaalsContact CD1-CE2 3.41Å; I1741-Y1750 HydrophobicContact CD1-CG 4.35Å; I1741-Y1750 HydrophobicContact CG1-CD2 3.91Å; I1741-Y1750 HydrophobicContact CG1-CE2 4.26Å; I1741-Y1750 HydrophobicContact CG2-CD2 4.45Å; Y1750-D1752 VanDerWaalsContact C-N 3.35Å; Y1750-D1752 PolarHBondContact O-N 3.31Å; Y1750-Y1753 HydrophobicContact CE2-CD1 4.37Å; Y1750-Y1753 WeakPolarHBondContact O-CA 3.32Å; Y1750-Y1753 VanDerWaalsContact O-CB 3.3Å; Y1750-Y1753 WeakPolarHBondContact O-CB 3.32Å; Y1750-Y1753 PolarHBondContact O-N 3.2Å; Y1750-Y1753 VanDerWaalsContact O-N 3.13Å; Y1750-I1754 HydrophobicContact CD1-CD1 3.94Å; Y1750-I1754 HydrophobicContact CD1-CG1 4.11Å; Y1750-I1754 HydrophobicContact CE1-CD1 4.09Å; Y1750-I1754 HydrophobicContact CE1-CG1 3.72Å; Y1750-I1754 HydrophobicContact CE2-CD1 4.23Å; Y1750-I1754 HydrophobicContact CE2-CG1 4.24Å; Y1750-I1754 WeakPolarHBondContact O-CG1 3.32Å; Y1750-I1754 PolarHBondContact O-N 2.91Å; Y1750-P1766 HydrophobicContact CE1-CB 4.36Å; Y1750-P1766 HydrophobicContact CE1-CG 4.23Å; Y1750-L1813 HydrophobicContact CE1-CD1 4.06Å; Y1750-L1813 HydrophobicContact CE1-CD2 3.55Å; Y1750-L1813 HydrophobicContact CE1-CG 4.39Å; Y1750-L1813 WeakPolarHBondContact OH-CD1 3.06Å; Y1750-L1813 WeakPolarHBondContact OH-CD2 3.19Å; Y1750-L1813 WeakPolarHBondContact OH-CG 3.39Å |
| 1751 | D | 80 | Confident | 78.5 | Confident | 103.6 Ų | 103.6 | 48 Ų | 48 | 55% | 0.554 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -67.3 | -39.9 | -179.9 | -62.7 | -35.2 | 0 | 0 | 0 | 111.7 | T1749 Y1753 I1754 Q1755 | T1749-D1751 VanDerWaalsContact C-N 3.29Å; T1749-D1751 PolarHBondContact O-N 3.18Å; T1749-D1751 PolarHBondContact OG1-N 3.37Å; D1751-Y1753 VanDerWaalsContact C-N 3.29Å; D1751-Y1753 PolarHBondContact O-N 3.1Å; D1751-I1754 PolarHBondContact O-N 3.22Å; D1751-Q1755 WeakPolarHBondContact O-CB 3.44Å; D1751-Q1755 WeakPolarHBondContact O-CG 3.38Å; D1751-Q1755 PolarHBondContact O-N 3.17Å |
| 1752 | D | 79.7 | Confident | 78.6 | Confident | 70 Ų | 70 | 49.2 Ų | 49.2 | 37% | 0.374 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -61.4 | -39.1 | 173 | -61.8 | -43.6 | 0 | 0 | 0 | 111.4 | I1748 T1749 Y1750 Q1755 L1756 | I1748-D1752 HydrophobicContact CB-CB 3.92Å; I1748-D1752 HydrophobicContact CG2-CB 4.11Å; I1748-D1752 VanDerWaalsContact CG2-CB 3.43Å; T1749-D1752 VanDerWaalsContact CB-OD2 3.3Å; T1749-D1752 WeakPolarHBondContact CB-OD2 3.29Å; T1749-D1752 WeakPolarHBondContact CG2-OD2 3.3Å; T1749-D1752 PolarHBondContact N-OD2 3.2Å; T1749-D1752 PolarHBondContact O-N 3.04Å; T1749-D1752 VanDerWaalsContact O-N 3.07Å; T1749-D1752 PolarHBondContact OG1-N 3.11Å; T1749-D1752 PolarHBondContact OG1-OD2 3.27Å; Y1750-D1752 VanDerWaalsContact C-N 3.35Å; Y1750-D1752 PolarHBondContact O-N 3.31Å; D1752-Q1755 PolarHBondContact O-N 3.04Å; D1752-L1756 VanDerWaalsContact O-CB 3.29Å; D1752-L1756 WeakPolarHBondContact O-CB 3.42Å; D1752-L1756 PolarHBondContact O-N 3.13Å |
| 1753 | Y | 81.7 | Confident | 78.9 | Confident | 1.6 Ų | 1.6 | 46.7 Ų | 46.7 | 1% | 0.006 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -64.2 | -43.9 | 175.7 | 174 | -102.6 | 0 | 0 | 0 | 112.1 | P1735 P1736 I1741 L1745 T1749 Y1750 D1751 L1756 I1757 A1797 P1799 F1837 I1841 | P1735-Y1753 HydrophobicContact CB-CD2 4.06Å; P1735-Y1753 HydrophobicContact CB-CE2 3.88Å; P1735-Y1753 HydrophobicContact CG-CD2 4.3Å; P1735-Y1753 HydrophobicContact CG-CE2 3.98Å; P1736-Y1753 HydrophobicContact CG-CE1 3.92Å; I1741-Y1753 HydrophobicContact CD1-CD1 3.54Å; I1741-Y1753 HydrophobicContact CD1-CD2 3.62Å; I1741-Y1753 HydrophobicContact CD1-CE1 3.74Å; I1741-Y1753 VanDerWaalsContact CD1-CE1 3.45Å; I1741-Y1753 HydrophobicContact CD1-CE2 3.92Å; I1741-Y1753 HydrophobicContact CD1-CG 3.76Å; I1741-Y1753 HydrophobicContact CG1-CE1 4.42Å; I1741-Y1753 HydrophobicContact CG2-CE1 4.37Å; I1741-Y1753 HydrophobicContact CG2-CE2 4.29Å; L1745-Y1753 HydrophobicContact CD2-CD2 3.52Å; L1745-Y1753 VanDerWaalsContact CD2-CD2 3.47Å; L1745-Y1753 HydrophobicContact CD2-CE2 4.15Å; L1745-Y1753 HydrophobicContact CD2-CG 3.78Å; T1749-Y1753 PolarHBondContact O-N 3.21Å; T1749-Y1753 VanDerWaalsContact O-N 3.13Å; Y1750-Y1753 HydrophobicContact CE2-CD1 4.37Å; Y1750-Y1753 WeakPolarHBondContact O-CA 3.32Å; Y1750-Y1753 VanDerWaalsContact O-CB 3.3Å; Y1750-Y1753 WeakPolarHBondContact O-CB 3.32Å; Y1750-Y1753 PolarHBondContact O-N 3.2Å; Y1750-Y1753 VanDerWaalsContact O-N 3.13Å; D1751-Y1753 VanDerWaalsContact C-N 3.29Å; D1751-Y1753 PolarHBondContact O-N 3.1Å; Y1753-L1756 WeakPolarHBondContact O-CB 3.34Å; Y1753-L1756 PolarHBondContact O-N 3.15Å; Y1753-I1757 HydrophobicContact CD1-CD1 3.94Å; Y1753-I1757 HydrophobicContact CD2-CD1 4.32Å; Y1753-I1757 HydrophobicContact CD2-CG1 4.5Å; Y1753-I1757 HydrophobicContact CD2-CG2 4.19Å; Y1753-I1757 HydrophobicContact CE1-CD1 3.39Å; Y1753-I1757 VanDerWaalsContact CE1-CD1 3.41Å; Y1753-I1757 HydrophobicContact CE1-CG1 4.37Å; Y1753-I1757 HydrophobicContact CE1-CG2 4.37Å; Y1753-I1757 HydrophobicContact CE2-CD1 3.74Å; Y1753-I1757 HydrophobicContact CE2-CG1 4.36Å; Y1753-I1757 HydrophobicContact CE2-CG2 3.73Å; Y1753-I1757 HydrophobicContact CG-CD1 4.41Å; Y1753-I1757 WeakPolarHBondContact O-CG1 3.22Å; Y1753-I1757 PolarHBondContact O-N 3.2Å; Y1753-I1757 WeakPolarHBondContact OH-CD1 3.29Å; Y1753-A1797 PolarHBondContact OH-O 3.13Å; Y1753-P1799 HydrophobicContact CE2-CG 4.36Å; Y1753-P1799 WeakPolarHBondContact OH-CD 3.38Å; Y1753-F1837 HydrophobicContact CE2-CD2 4.44Å; Y1753-F1837 AromaticContact CE2-CE2 3.88Å; Y1753-F1837 HydrophobicContact CE2-CE2 4.05Å; Y1753-I1841 HydrophobicContact CD2-CD1 3.98Å; Y1753-I1841 VanDerWaalsContact CD2-CD1 3.49Å; Y1753-I1841 HydrophobicContact CD2-CG1 4.41Å; Y1753-I1841 HydrophobicContact CE2-CD1 3.67Å; Y1753-I1841 HydrophobicContact CE2-CG1 4.32Å |
| 1754 | I | 81.5 | Confident | 79.2 | Confident | 15.4 Ų | 15.4 | 42.6 Ų | 42.6 | 8% | 0.079 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -62.7 | -45.1 | 175.5 | -64.2 | -73.9 | 0 | 0 | 0 | 110.8 | T1709 P1735 Y1750 D1751 L1756 I1757 E1758 I1763 P1766 Y1810 | T1709-I1754 HydrophobicContact CG2-CG2 3.94Å; P1735-I1754 HydrophobicContact CB-CD1 4.17Å; Y1750-I1754 HydrophobicContact CD1-CD1 3.94Å; Y1750-I1754 HydrophobicContact CD1-CG1 4.11Å; Y1750-I1754 HydrophobicContact CE1-CD1 4.09Å; Y1750-I1754 HydrophobicContact CE1-CG1 3.72Å; Y1750-I1754 HydrophobicContact CE2-CD1 4.23Å; Y1750-I1754 HydrophobicContact CE2-CG1 4.24Å; Y1750-I1754 WeakPolarHBondContact O-CG1 3.32Å; Y1750-I1754 PolarHBondContact O-N 2.91Å; D1751-I1754 PolarHBondContact O-N 3.22Å; I1754-L1756 VanDerWaalsContact C-N 3.28Å; I1754-L1756 PolarHBondContact O-N 3.13Å; I1754-I1757 HydrophobicContact CD1-CD1 4.02Å; I1754-I1757 WeakPolarHBondContact O-CG1 3.35Å; I1754-I1757 PolarHBondContact O-N 3.2Å; I1754-E1758 VanDerWaalsContact O-CB 3.3Å; I1754-E1758 WeakPolarHBondContact O-CB 3.34Å; I1754-E1758 PolarHBondContact O-N 3.11Å; I1754-I1763 HydrophobicContact CD1-CD1 3.94Å; I1754-P1766 HydrophobicContact CD1-CG 4.09Å; I1754-P1766 HydrophobicContact CG1-CG 4.04Å; I1754-P1766 HydrophobicContact CG2-CG 4.14Å; I1754-Y1810 HydrophobicContact CB-CE2 4.48Å; I1754-Y1810 HydrophobicContact CG1-CE2 4.06Å; I1754-Y1810 HydrophobicContact CG2-CE2 4.07Å |
| 1755 | Q | 81 | Confident | 79.3 | Confident | 103.2 Ų | 103.2 | 42.4 Ų | 42.4 | 48% | 0.482 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -62.5 | -32.6 | 175.8 | -72.2 | 179.7 | 31.3 | 0 | 0 | 112.8 | D1751 D1752 K1759 | D1751-Q1755 WeakPolarHBondContact O-CB 3.44Å; D1751-Q1755 WeakPolarHBondContact O-CG 3.38Å; D1751-Q1755 PolarHBondContact O-N 3.17Å; D1752-Q1755 PolarHBondContact O-N 3.04Å; Q1755-K1759 WeakPolarHBondContact O-CB 3.44Å; Q1755-K1759 WeakPolarHBondContact O-CD 3.45Å; Q1755-K1759 WeakPolarHBondContact O-CE 3.06Å; Q1755-K1759 WeakPolarHBondContact O-CG 3.15Å; Q1755-K1759 PolarHBondContact O-N 3.17Å; Q1755-K1759 PolarHBondContact O-NZ 3.2Å |
| 1756 | L | 80.5 | Confident | 79.3 | Confident | 18.4 Ų | 18.4 | 41.5 Ų | 41.5 | 10% | 0.096 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -70.4 | -47.2 | 176.6 | -171.8 | 96 | 0 | 0 | 0 | 111 | L1708 P1735 I1748 D1752 Y1753 I1754 E1758 K1759 L1760 T1833 Q1836 F1837 L1840 | L1708-L1756 HydrophobicContact CD2-CD1 4.15Å; P1735-L1756 HydrophobicContact CB-CD2 4.47Å; P1735-L1756 HydrophobicContact CG-CD2 3.64Å; I1748-L1756 HydrophobicContact CD1-CD2 4.33Å; D1752-L1756 VanDerWaalsContact O-CB 3.29Å; D1752-L1756 WeakPolarHBondContact O-CB 3.42Å; D1752-L1756 PolarHBondContact O-N 3.13Å; Y1753-L1756 WeakPolarHBondContact O-CB 3.34Å; Y1753-L1756 PolarHBondContact O-N 3.15Å; I1754-L1756 VanDerWaalsContact C-N 3.28Å; I1754-L1756 PolarHBondContact O-N 3.13Å; L1756-E1758 VanDerWaalsContact C-N 3.34Å; L1756-E1758 PolarHBondContact O-N 3.44Å; L1756-K1759 CarbonylContact O-C 3.56Å; L1756-K1759 WeakPolarHBondContact O-CB 3.36Å; L1756-K1759 PolarHBondContact O-N 2.96Å; L1756-K1759 VanDerWaalsContact O-N 3.14Å; L1756-L1760 HydrophobicContact CD2-CD1 3.78Å; L1756-L1760 HydrophobicContact CD2-CG 4.35Å; L1756-L1760 HydrophobicContact CG-CD1 4.25Å; L1756-L1760 WeakPolarHBondContact O-CB 3.42Å; L1756-L1760 WeakPolarHBondContact O-CG 3.22Å; L1756-L1760 PolarHBondContact O-N 2.85Å; L1756-T1833 HydrophobicContact CD1-CG2 3.7Å; L1756-T1833 HydrophobicContact CD2-CG2 3.43Å; L1756-T1833 VanDerWaalsContact CD2-CG2 3.43Å; L1756-T1833 HydrophobicContact CG-CG2 4.28Å; L1756-Q1836 HydrophobicContact CD1-CB 4.33Å; L1756-F1837 HydrophobicContact CD2-CB 3.92Å; L1756-F1837 HydrophobicContact CD2-CD2 4.05Å; L1756-F1837 HydrophobicContact CD2-CG 4.42Å; L1756-F1837 HydrophobicContact CG-CB 4.41Å; L1756-F1837 HydrophobicContact CG-CD2 4.37Å; L1756-L1840 HydrophobicContact CD1-CD1 3.75Å; L1756-L1840 HydrophobicContact CD2-CD1 4.02Å |
| 1757 | I | 81.3 | Confident | 79.4 | Confident | 3.2 Ų | 3.2 | 44.5 Ų | 44.5 | 2% | 0.016 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -69.4 | -34 | 179 | -31.7 | -174 | 0 | 0 | 0 | 112.5 | Y1753 I1754 K1759 L1760 G1761 I1763 A1797 V1802 W1806 Y1810 W1830 F1837 | Y1753-I1757 HydrophobicContact CD1-CD1 3.94Å; Y1753-I1757 HydrophobicContact CD2-CD1 4.32Å; Y1753-I1757 HydrophobicContact CD2-CG1 4.5Å; Y1753-I1757 HydrophobicContact CD2-CG2 4.19Å; Y1753-I1757 HydrophobicContact CE1-CD1 3.39Å; Y1753-I1757 VanDerWaalsContact CE1-CD1 3.41Å; Y1753-I1757 HydrophobicContact CE1-CG1 4.37Å; Y1753-I1757 HydrophobicContact CE1-CG2 4.37Å; Y1753-I1757 HydrophobicContact CE2-CD1 3.74Å; Y1753-I1757 HydrophobicContact CE2-CG1 4.36Å; Y1753-I1757 HydrophobicContact CE2-CG2 3.73Å; Y1753-I1757 HydrophobicContact CG-CD1 4.41Å; Y1753-I1757 WeakPolarHBondContact O-CG1 3.22Å; Y1753-I1757 PolarHBondContact O-N 3.2Å; Y1753-I1757 WeakPolarHBondContact OH-CD1 3.29Å; I1754-I1757 HydrophobicContact CD1-CD1 4.02Å; I1754-I1757 WeakPolarHBondContact O-CG1 3.35Å; I1754-I1757 PolarHBondContact O-N 3.2Å; I1757-K1759 PolarHBondContact O-N 3.3Å; I1757-L1760 HydrophobicContact CG2-CD1 4.43Å; I1757-L1760 CarbonylContact O-C 3.49Å; I1757-L1760 WeakPolarHBondContact O-CA 3.28Å; I1757-L1760 WeakPolarHBondContact O-CB 3.35Å; I1757-L1760 PolarHBondContact O-N 3.14Å; I1757-L1760 VanDerWaalsContact O-N 3.09Å; I1757-G1761 PolarHBondContact O-N 3.17Å; I1757-G1761 VanDerWaalsContact O-N 3.09Å; I1757-I1763 HydrophobicContact CB-CD1 4.47Å; I1757-I1763 HydrophobicContact CD1-CD1 3.27Å; I1757-I1763 HydrophobicContact CG1-CD1 3.8Å; I1757-I1763 HydrophobicContact CG1-CG2 4.38Å; I1757-I1763 HydrophobicContact CG2-CB 4.1Å; I1757-I1763 HydrophobicContact CG2-CD1 3.71Å; I1757-I1763 HydrophobicContact CG2-CG2 4.08Å; I1757-A1797 HydrophobicContact CD1-CB 4.25Å; I1757-V1802 HydrophobicContact CD1-CG2 3.96Å; I1757-V1802 HydrophobicContact CG1-CG2 4.47Å; I1757-V1802 HydrophobicContact CG2-CG1 4.38Å; I1757-V1802 HydrophobicContact CG2-CG2 4.38Å; I1757-W1806 HydrophobicContact CB-CZ3 4.25Å; I1757-W1806 HydrophobicContact CG2-CE3 4.44Å; I1757-W1806 HydrophobicContact CG2-CH2 3.8Å; I1757-W1806 HydrophobicContact CG2-CZ3 3.43Å; I1757-W1806 WeakPolarHBondContact O-CZ3 3.38Å; I1757-Y1810 HydrophobicContact CD1-CD2 4.46Å; I1757-W1830 HydrophobicContact CG2-CZ2 4.42Å; I1757-F1837 HydrophobicContact CD1-CE2 4.2Å; I1757-F1837 HydrophobicContact CG1-CD2 4.41Å; I1757-F1837 HydrophobicContact CG1-CE2 3.97Å; I1757-F1837 HydrophobicContact CG2-CD2 4.04Å; I1757-F1837 HydrophobicContact CG2-CE2 3.89Å |
| 1758 | E | 79.8 | Confident | 79.6 | Confident | 56.6 Ų | 56.6 | 42.7 Ų | 42.7 | 26% | 0.264 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -55.1 | -37.6 | 172.6 | 173.5 | 170.9 | -156 | 0 | 0 | 111.8 | T1709 N1710 H1722 F1723 I1754 L1756 L1760 I1763 I1826 | T1709-E1758 VanDerWaalsContact C-OE1 3.26Å; T1709-E1758 VanDerWaalsContact CB-OE1 3.27Å; T1709-E1758 WeakPolarHBondContact CB-OE1 3.25Å; T1709-E1758 WeakPolarHBondContact OG1-CB 3.42Å; T1709-E1758 VanDerWaalsContact OG1-CD 3.29Å; T1709-E1758 VanDerWaalsContact OG1-CG 3.31Å; T1709-E1758 WeakPolarHBondContact OG1-CG 3.31Å; T1709-E1758 PolarHBondContact OG1-OE1 3.08Å; T1709-E1758 PolarHBondContact OG1-OE2 3.4Å; N1710-E1758 WeakPolarHBondContact CA-OE1 3.18Å; N1710-E1758 PolarHBondContact N-OE1 3.27Å; H1722-E1758 PolarHBondContact CE1-O 2.87Å; H1722-E1758 PolarHBondContact NE2-O 2.82Å; H1722-E1758 VanDerWaalsContact NE2-O 3.08Å; F1723-E1758 WeakPolarHBondContact CZ-O 3.44Å; I1754-E1758 VanDerWaalsContact O-CB 3.3Å; I1754-E1758 WeakPolarHBondContact O-CB 3.34Å; I1754-E1758 PolarHBondContact O-N 3.11Å; L1756-E1758 VanDerWaalsContact C-N 3.34Å; L1756-E1758 PolarHBondContact O-N 3.44Å; E1758-L1760 VanDerWaalsContact C-N 3.25Å; E1758-L1760 PolarHBondContact O-N 3.02Å; E1758-I1763 HydrophobicContact CB-CG2 4.35Å; E1758-I1826 HydrophobicContact CG-CG2 3.8Å |
| 1759 | K | 79.1 | Confident | 79.4 | Confident | 105 Ų | 105 | 42.6 Ų | 42.6 | 46% | 0.457 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75 | -17.4 | 176 | -65.8 | 169.9 | -173.8 | 168.4 | 0 | 113.4 | T1709 F1723 Q1755 L1756 I1757 G1761 P1762 T1833 | T1709-K1759 HydrophobicContact CG2-CB 3.75Å; T1709-K1759 WeakPolarHBondContact OG1-CB 3.41Å; T1709-K1759 WeakPolarHBondContact OG1-CD 3.45Å; F1723-K1759 WeakPolarHBondContact CE2-O 3.47Å; F1723-K1759 HydrophobicContact CZ-CB 4.35Å; F1723-K1759 WeakPolarHBondContact CZ-O 3.23Å; Q1755-K1759 WeakPolarHBondContact O-CB 3.44Å; Q1755-K1759 WeakPolarHBondContact O-CD 3.45Å; Q1755-K1759 WeakPolarHBondContact O-CE 3.06Å; Q1755-K1759 WeakPolarHBondContact O-CG 3.15Å; Q1755-K1759 PolarHBondContact O-N 3.17Å; Q1755-K1759 PolarHBondContact O-NZ 3.2Å; L1756-K1759 CarbonylContact O-C 3.56Å; L1756-K1759 WeakPolarHBondContact O-CB 3.36Å; L1756-K1759 PolarHBondContact O-N 2.96Å; L1756-K1759 VanDerWaalsContact O-N 3.14Å; I1757-K1759 PolarHBondContact O-N 3.3Å; K1759-G1761 VanDerWaalsContact C-N 3.33Å; K1759-P1762 VanDerWaalsContact O-CD 3.23Å; K1759-P1762 WeakPolarHBondContact O-CD 3.43Å; K1759-P1762 WeakPolarHBondContact O-CG 3.22Å; K1759-T1833 HydrophobicContact CB-CG2 3.82Å; K1759-T1833 HydrophobicContact CD-CG2 4.33Å |
| 1760 | L | 79.5 | Confident | 78.6 | Confident | 11.4 Ų | 11.4 | 41.5 Ų | 41.5 | 6% | 0.06 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92 | -28.1 | 179.5 | -66.1 | 174.7 | 0 | 0 | 0 | 113 | W1724 L1756 I1757 E1758 P1762 I1763 I1764 V1802 W1806 I1807 W1830 T1833 V1834 F1837 | W1724-L1760 WeakPolarHBondContact CZ2-O 2.86Å; W1724-L1760 PolarHBondContact NE1-O 3Å; L1756-L1760 HydrophobicContact CD2-CD1 3.78Å; L1756-L1760 HydrophobicContact CD2-CG 4.35Å; L1756-L1760 HydrophobicContact CG-CD1 4.25Å; L1756-L1760 WeakPolarHBondContact O-CB 3.42Å; L1756-L1760 WeakPolarHBondContact O-CG 3.22Å; L1756-L1760 PolarHBondContact O-N 2.85Å; I1757-L1760 HydrophobicContact CG2-CD1 4.43Å; I1757-L1760 CarbonylContact O-C 3.49Å; I1757-L1760 WeakPolarHBondContact O-CA 3.28Å; I1757-L1760 WeakPolarHBondContact O-CB 3.35Å; I1757-L1760 PolarHBondContact O-N 3.14Å; I1757-L1760 VanDerWaalsContact O-N 3.09Å; E1758-L1760 VanDerWaalsContact C-N 3.25Å; E1758-L1760 PolarHBondContact O-N 3.02Å; L1760-P1762 VanDerWaalsContact C-N 3.3Å; L1760-I1763 HydrophobicContact CD2-CB 4.42Å; L1760-I1763 HydrophobicContact CD2-CD1 3.75Å; L1760-I1763 PolarHBondContact O-N 3.2Å; L1760-I1764 PolarHBondContact O-N 2.6Å; L1760-V1802 HydrophobicContact CD1-CG1 4.11Å; L1760-W1806 HydrophobicContact CB-CE3 3.98Å; L1760-W1806 HydrophobicContact CB-CZ3 4.32Å; L1760-I1807 HydrophobicContact CD1-CD1 4.18Å; L1760-W1830 HydrophobicContact CD2-CG 4.39Å; L1760-T1833 HydrophobicContact CD2-CG2 3.65Å; L1760-T1833 HydrophobicContact CG-CG2 3.94Å; L1760-V1834 HydrophobicContact CD2-CB 4.48Å; L1760-V1834 HydrophobicContact CD2-CG2 3.54Å; L1760-F1837 HydrophobicContact CD1-CB 4.03Å; L1760-F1837 HydrophobicContact CD1-CD1 4.48Å; L1760-F1837 HydrophobicContact CD1-CD2 3.75Å; L1760-F1837 HydrophobicContact CD1-CE2 4.24Å; L1760-F1837 HydrophobicContact CD1-CG 3.87Å |
| 1761 | G | 80.7 | Confident | 77.1 | Confident | 5.6 Ų | 5.6 | 43.2 Ų | 43.2 | 6% | 0.058 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -167.1 | -169.8 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | H1722 I1757 K1759 I1763 W1806 T1833 | H1722-G1761 VanDerWaalsContact CD2-C 3.49Å; H1722-G1761 VanDerWaalsContact CD2-CA 3.46Å; H1722-G1761 WeakPolarHBondContact CD2-CA 3.43Å; H1722-G1761 WeakPolarHBondContact NE2-CA 3.34Å; H1722-G1761 PolarHBondContact NE2-N 3.33Å; H1722-G1761 PolarHBondContact NE2-O 2.94Å; I1757-G1761 PolarHBondContact O-N 3.17Å; I1757-G1761 VanDerWaalsContact O-N 3.09Å; K1759-G1761 VanDerWaalsContact C-N 3.33Å; G1761-I1763 PolarHBondContact O-N 2.99Å; G1761-I1763 VanDerWaalsContact O-N 3.11Å; G1761-W1806 VanDerWaalsContact C-CH2 3.45Å; G1761-W1806 VanDerWaalsContact C-CZ3 3.49Å; G1761-W1806 VanDerWaalsContact N-CZ3 3.32Å; G1761-W1806 WeakPolarHBondContact O-CH2 3.37Å; G1761-T1833 WeakPolarHBondContact O-CG2 3.39Å |
| 1762 | P | 79.6 | Confident | 75.5 | Confident | 29.4 Ų | 29.4 | 41.7 Ų | 41.7 | 19% | 0.191 | 21% | 0.212 | C | C | . | . | trans | -78.4 | 92.8 | -176.8 | 29.7 | -33.3 | 0 | 0 | 0 | 112.7 | L1708 Q1720 P1730 V1732 L1733 K1759 L1760 W1806 | L1708-P1762 HydrophobicContact CD1-CB 4.04Å; L1708-P1762 HydrophobicContact CD2-CB 4.16Å; Q1720-P1762 HydrophobicContact CB-CG 4.29Å; Q1720-P1762 HydrophobicContact CG-CB 4.41Å; Q1720-P1762 HydrophobicContact CG-CG 4.27Å; P1730-P1762 HydrophobicContact CB-CG 4.25Å; P1730-P1762 HydrophobicContact CG-CG 3.97Å; V1732-P1762 WeakPolarHBondContact CA-O 3.35Å; V1732-P1762 HydrophobicContact CG2-CB 4.43Å; V1732-P1762 HydrophobicContact CG2-CG 4.35Å; L1733-P1762 PolarHBondContact N-O 3.03Å; L1733-P1762 VanDerWaalsContact N-O 3.13Å; K1759-P1762 VanDerWaalsContact O-CD 3.23Å; K1759-P1762 WeakPolarHBondContact O-CD 3.43Å; K1759-P1762 WeakPolarHBondContact O-CG 3.22Å; L1760-P1762 VanDerWaalsContact C-N 3.3Å; P1762-W1806 HydrophobicContact CG-CZ2 4.46Å; P1762-W1806 VanDerWaalsContact O-CZ2 3.32Å; P1762-W1806 WeakPolarHBondContact O-CZ2 3.41Å | ||
| 1763 | I | 81.3 | Confident | 73.7 | Confident | 19 Ų | 19 | 46.4 Ų | 46.4 | 10% | 0.097 | 23% | 0.231 | C | C | . | . | B | Isolated β-bridge | trans | -104.7 | 130.3 | 176.6 | -164.6 | 162 | 0 | 0 | 0 | 111 | L1708 T1709 P1735 I1754 I1757 E1758 L1760 G1761 K1765 A1797 W1806 | L1708-I1763 CarbonylContact C-O 3.42Å; L1708-I1763 VanDerWaalsContact CA-O 3.24Å; L1708-I1763 WeakPolarHBondContact CA-O 3.25Å; L1708-I1763 WeakPolarHBondContact CD2-O 3.38Å; T1709-I1763 HydrophobicContact CG2-CD1 3.74Å; T1709-I1763 HydrophobicContact CG2-CG2 3.71Å; T1709-I1763 PolarHBondContact N-O 2.93Å; T1709-I1763 VanDerWaalsContact N-O 3.15Å; T1709-I1763 WeakPolarHBondContact OG1-CG2 3.12Å; P1735-I1763 HydrophobicContact CB-CD1 4.12Å; P1735-I1763 HydrophobicContact CB-CG1 4.4Å; I1754-I1763 HydrophobicContact CD1-CD1 3.94Å; I1757-I1763 HydrophobicContact CB-CD1 4.47Å; I1757-I1763 HydrophobicContact CD1-CD1 3.27Å; I1757-I1763 HydrophobicContact CG1-CD1 3.8Å; I1757-I1763 HydrophobicContact CG1-CG2 4.38Å; I1757-I1763 HydrophobicContact CG2-CB 4.1Å; I1757-I1763 HydrophobicContact CG2-CD1 3.71Å; I1757-I1763 HydrophobicContact CG2-CG2 4.08Å; E1758-I1763 HydrophobicContact CB-CG2 4.35Å; L1760-I1763 HydrophobicContact CD2-CB 4.42Å; L1760-I1763 HydrophobicContact CD2-CD1 3.75Å; L1760-I1763 PolarHBondContact O-N 3.2Å; G1761-I1763 PolarHBondContact O-N 2.99Å; G1761-I1763 VanDerWaalsContact O-N 3.11Å; I1763-K1765 PolarHBondContact O-N 2.87Å; I1763-A1797 HydrophobicContact CD1-CB 4.05Å; I1763-W1806 HydrophobicContact CB-CH2 4.15Å |
| 1764 | I | 82 | Confident | 71.7 | Confident | 9.6 Ų | 9.6 | 53 Ų | 53 | 5% | 0.049 | 27% | 0.265 | C | S | . | . | B | Isolated β-bridge | trans | -69.7 | 125.3 | 171.6 | -60.3 | 168 | 0 | 0 | 0 | 108.7 | L1656 F1706 P1707 L1708 V1732 L1733 L1734 P1735 L1760 P1766 A1768 F1769 F1837 | L1656-I1764 HydrophobicContact CD2-CG2 4.45Å; F1706-I1764 HydrophobicContact CB-CD1 4.36Å; F1706-I1764 HydrophobicContact CB-CG1 4.4Å; F1706-I1764 HydrophobicContact CD1-CD1 3.89Å; F1706-I1764 HydrophobicContact CG-CD1 4.47Å; P1707-I1764 CarbonylContact O-C 3.54Å; P1707-I1764 VanDerWaalsContact O-CA 3.27Å; P1707-I1764 WeakPolarHBondContact O-CA 3.41Å; P1707-I1764 WeakPolarHBondContact O-CG2 3.35Å; L1708-I1764 HydrophobicContact CD2-CG1 4.39Å; V1732-I1764 HydrophobicContact CG1-CD1 3.94Å; V1732-I1764 HydrophobicContact CG1-CG1 3.75Å; L1733-I1764 PolarHBondContact O-N 3Å; L1734-I1764 HydrophobicContact CD2-CD1 3.71Å; L1734-I1764 HydrophobicContact CG-CD1 4.43Å; P1735-I1764 VanDerWaalsContact CD-O 3.29Å; P1735-I1764 WeakPolarHBondContact CD-O 3.27Å; P1735-I1764 WeakPolarHBondContact CG-O 3.42Å; L1760-I1764 PolarHBondContact O-N 2.6Å; I1764-P1766 WeakPolarHBondContact O-CD 3.45Å; I1764-A1768 HydrophobicContact CG2-CB 4.26Å; I1764-F1769 HydrophobicContact CB-CE2 4.36Å; I1764-F1769 HydrophobicContact CG2-CD2 4.45Å; I1764-F1769 HydrophobicContact CG2-CE2 3.65Å; I1764-F1769 HydrophobicContact CG2-CZ 4.08Å; I1764-F1837 HydrophobicContact CG2-CD2 3.57Å; I1764-F1837 HydrophobicContact CG2-CE2 3.94Å; I1764-F1837 HydrophobicContact CG2-CG 4.25Å |
| 1765 | K | 79.4 | Confident | 69.7 | Low | 69.8 Ų | 69.8 | 58.4 Ų | 58.4 | 30% | 0.303 | 29% | 0.294 | S | S | . | . | trans | -60.6 | 129.4 | 178.9 | -126.7 | -174.8 | -177.4 | -171.9 | 0 | 110.5 | N1651 P1707 L1708 T1709 I1763 D1767 A1768 | N1651-K1765 VanDerWaalsContact C-NZ 3.28Å; N1651-K1765 PolarHBondContact O-NZ 3.37Å; N1651-K1765 PolarHBondContact OD1-NZ 3.31Å; N1651-K1765 VanDerWaalsContact OD1-NZ 3.16Å; P1707-K1765 HydrophobicContact CB-CD 4.1Å; P1707-K1765 HydrophobicContact CB-CG 4.21Å; P1707-K1765 HydrophobicContact CG-CB 4.48Å; P1707-K1765 HydrophobicContact CG-CD 4Å; P1707-K1765 VanDerWaalsContact CG-CE 3.5Å; P1707-K1765 HydrophobicContact CG-CG 4.02Å; P1707-K1765 PolarHBondContact O-N 3.05Å; L1708-K1765 WeakPolarHBondContact O-CE 3.28Å; L1708-K1765 WeakPolarHBondContact O-CG 3.33Å; T1709-K1765 HydrophobicContact CG2-CB 4.32Å; T1709-K1765 HydrophobicContact CG2-CG 4.25Å; I1763-K1765 PolarHBondContact O-N 2.87Å; K1765-D1767 VanDerWaalsContact C-N 3.29Å; K1765-D1767 HydrophobicContact CD-CB 4.14Å; K1765-D1767 VanDerWaalsContact CE-CG 3.44Å; K1765-D1767 WeakPolarHBondContact CE-OD1 3.31Å; K1765-D1767 VanDerWaalsContact CE-OD2 3.25Å; K1765-D1767 WeakPolarHBondContact CE-OD2 3.42Å; K1765-D1767 HydrophobicContact CG-CB 4.34Å; K1765-D1767 IonicContact NZ-OD1 3.49Å; K1765-D1767 IonicContact NZ-OD2 3.34Å; K1765-D1767 PolarHBondContact NZ-OD2 2.96Å; K1765-D1767 PolarHBondContact O-N 2.97Å; K1765-D1767 VanDerWaalsContact O-N 3.12Å; K1765-A1768 HydrophobicContact CB-CB 4.47Å; K1765-A1768 HydrophobicContact CG-CB 3.72Å; K1765-A1768 VanDerWaalsContact O-CB 3.28Å; K1765-A1768 WeakPolarHBondContact O-CB 3.3Å; K1765-A1768 PolarHBondContact O-N 3.08Å; K1765-A1768 VanDerWaalsContact O-N 3.13Å | ||
| 1766 | P | 78.2 | Confident | 67.9 | Low | 21.6 Ų | 21.6 | 57.9 Ų | 57.9 | 14% | 0.14 | 29% | 0.289 | C | S | . | . | G | 310 helix | trans | -53.2 | -41.4 | 176.8 | -19.3 | 23.4 | 0 | 0 | 0 | 113.5 | P1735 Y1750 I1754 I1764 A1768 F1769 Q1770 L1840 | P1735-P1766 HydrophobicContact CB-CB 4.42Å; P1735-P1766 HydrophobicContact CB-CG 3.96Å; P1735-P1766 HydrophobicContact CG-CB 4.35Å; P1735-P1766 HydrophobicContact CG-CG 4.25Å; Y1750-P1766 HydrophobicContact CE1-CB 4.36Å; Y1750-P1766 HydrophobicContact CE1-CG 4.23Å; I1754-P1766 HydrophobicContact CD1-CG 4.09Å; I1754-P1766 HydrophobicContact CG1-CG 4.04Å; I1754-P1766 HydrophobicContact CG2-CG 4.14Å; I1764-P1766 WeakPolarHBondContact O-CD 3.45Å; P1766-A1768 PolarHBondContact O-N 3Å; P1766-A1768 VanDerWaalsContact O-N 3.09Å; P1766-F1769 PolarHBondContact O-N 3.25Å; P1766-F1769 VanDerWaalsContact O-N 3.16Å; P1766-Q1770 PolarHBondContact O-N 3.13Å; P1766-L1840 HydrophobicContact CB-CD1 3.04Å; P1766-L1840 HydrophobicContact CG-CD1 4.22Å |
| 1767 | D | 75.3 | Confident | 66.2 | Low | 80.6 Ų | 80.6 | 64.9 Ų | 64.9 | 43% | 0.431 | 32% | 0.32 | S | S | . | . | G | 310 helix | trans | -59.3 | -24.6 | -179.6 | -57.5 | 5.4 | 0 | 0 | 0 | 113.4 | P1653 G1654 K1765 F1769 Q1770 | P1653-D1767 CarbonylContact C-O 3.54Å; P1653-D1767 VanDerWaalsContact CA-O 3.22Å; P1653-D1767 WeakPolarHBondContact CA-O 3.33Å; P1653-D1767 HydrophobicContact CB-CB 4.33Å; P1653-D1767 HydrophobicContact CG-CB 4.45Å; G1654-D1767 PolarHBondContact N-O 2.81Å; K1765-D1767 VanDerWaalsContact C-N 3.29Å; K1765-D1767 HydrophobicContact CD-CB 4.14Å; K1765-D1767 VanDerWaalsContact CE-CG 3.44Å; K1765-D1767 WeakPolarHBondContact CE-OD1 3.31Å; K1765-D1767 VanDerWaalsContact CE-OD2 3.25Å; K1765-D1767 WeakPolarHBondContact CE-OD2 3.42Å; K1765-D1767 HydrophobicContact CG-CB 4.34Å; K1765-D1767 IonicContact NZ-OD1 3.49Å; K1765-D1767 IonicContact NZ-OD2 3.34Å; K1765-D1767 PolarHBondContact NZ-OD2 2.96Å; K1765-D1767 PolarHBondContact O-N 2.97Å; K1765-D1767 VanDerWaalsContact O-N 3.12Å; D1767-F1769 PolarHBondContact O-N 3.11Å; D1767-F1769 VanDerWaalsContact O-N 3.13Å; D1767-Q1770 PolarHBondContact O-N 3.21Å; D1767-Q1770 VanDerWaalsContact O-N 3.12Å |
| 1768 | A | 75.9 | Confident | 64.7 | Low | 17.2 Ų | 17.2 | 71.7 Ų | 71.7 | 14% | 0.142 | 35% | 0.35 | C | S | . | . | G | 310 helix | trans | -60.5 | -21.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | G1654 L1656 S1657 P1707 I1764 K1765 P1766 | G1654-A1768 CarbonylContact C-O 3.49Å; G1654-A1768 WeakPolarHBondContact CA-O 3.32Å; L1656-A1768 HydrophobicContact CB-CB 4.22Å; L1656-A1768 HydrophobicContact CD2-CB 4.21Å; S1657-A1768 PolarHBondContact N-O 3.11Å; P1707-A1768 HydrophobicContact CG-CB 3.78Å; I1764-A1768 HydrophobicContact CG2-CB 4.26Å; K1765-A1768 HydrophobicContact CB-CB 4.47Å; K1765-A1768 HydrophobicContact CG-CB 3.72Å; K1765-A1768 VanDerWaalsContact O-CB 3.28Å; K1765-A1768 WeakPolarHBondContact O-CB 3.3Å; K1765-A1768 PolarHBondContact O-N 3.08Å; K1765-A1768 VanDerWaalsContact O-N 3.13Å; P1766-A1768 PolarHBondContact O-N 3Å; P1766-A1768 VanDerWaalsContact O-N 3.09Å |
| 1769 | F | 72.9 | Confident | 63.9 | Low | 37.6 Ų | 37.6 | 75.8 Ų | 75.8 | 17% | 0.165 | 37% | 0.374 | C | S | . | . | G | 310 helix | trans | -110 | 3.1 | 179.1 | -56.1 | -77.5 | 0 | 0 | 0 | 113.4 | L1656 S1657 L1734 P1735 I1764 P1766 D1767 L1771 Y1780 L1784 F1837 | L1656-F1769 HydrophobicContact CD2-CE1 4.02Å; L1656-F1769 HydrophobicContact CD2-CE2 4.33Å; L1656-F1769 HydrophobicContact CD2-CZ 3.81Å; L1656-F1769 HydrophobicContact CG-CE1 4.22Å; L1656-F1769 HydrophobicContact CG-CZ 4.42Å; S1657-F1769 WeakPolarHBondContact CB-O 3.48Å; L1734-F1769 HydrophobicContact CD2-CE1 4.39Å; L1734-F1769 HydrophobicContact CD2-CE2 3.68Å; L1734-F1769 HydrophobicContact CD2-CZ 3.42Å; L1734-F1769 VanDerWaalsContact CD2-CZ 3.44Å; P1735-F1769 HydrophobicContact CG-CD2 4.32Å; P1735-F1769 HydrophobicContact CG-CE2 4.33Å; I1764-F1769 HydrophobicContact CB-CE2 4.36Å; I1764-F1769 HydrophobicContact CG2-CD2 4.45Å; I1764-F1769 HydrophobicContact CG2-CE2 3.65Å; I1764-F1769 HydrophobicContact CG2-CZ 4.08Å; P1766-F1769 PolarHBondContact O-N 3.25Å; P1766-F1769 VanDerWaalsContact O-N 3.16Å; D1767-F1769 PolarHBondContact O-N 3.11Å; D1767-F1769 VanDerWaalsContact O-N 3.13Å; F1769-L1771 VanDerWaalsContact C-N 3.33Å; F1769-L1771 HydrophobicContact CB-CD1 4.5Å; F1769-L1771 PolarHBondContact O-N 3.32Å; F1769-Y1780 HydrophobicContact CB-CE1 4.12Å; F1769-Y1780 AromaticContact CD1-CD1 3.9Å; F1769-Y1780 HydrophobicContact CD1-CD1 3.96Å; F1769-Y1780 AromaticContact CD1-CE1 3.68Å; F1769-Y1780 HydrophobicContact CD1-CE1 3.68Å; F1769-Y1780 AromaticContact CD2-CE1 3.69Å; F1769-Y1780 HydrophobicContact CD2-CE1 3.69Å; F1769-Y1780 AromaticContact CE1-CD1 3.88Å; F1769-Y1780 HydrophobicContact CE1-CD1 4.03Å; F1769-Y1780 AromaticContact CE1-CE1 3.91Å; F1769-Y1780 HydrophobicContact CE1-CE1 3.95Å; F1769-Y1780 AromaticContact CE2-CE1 3.88Å; F1769-Y1780 HydrophobicContact CE2-CE1 3.93Å; F1769-Y1780 HydrophobicContact CG-CD1 4.29Å; F1769-Y1780 AromaticContact CG-CE1 3.55Å; F1769-Y1780 HydrophobicContact CG-CE1 3.55Å; F1769-Y1780 HydrophobicContact CZ-CD1 4.31Å; F1769-Y1780 AromaticContact CZ-CE1 3.87Å; F1769-Y1780 HydrophobicContact CZ-CE1 4.07Å; F1769-L1784 HydrophobicContact CE1-CD1 3.69Å; F1769-L1784 HydrophobicContact CZ-CD1 4.07Å; F1769-F1837 HydrophobicContact CE2-CE2 4.48Å |
| 1770 | Q | 60.4 | Low | 63.8 | Low | 51 Ų | 51 | 73.9 Ų | 73.9 | 24% | 0.238 | 36% | 0.364 | C | S | . | . | trans | -89.2 | 101.8 | -176.4 | -106.2 | 177 | 12.6 | 0 | 0 | 112 | S1551 S1552 S1555 G1654 P1766 D1767 N1772 Y1776 L1840 | S1551-Q1770 PolarHBondContact O-NE2 3.23Å; S1552-Q1770 VanDerWaalsContact CA-NE2 3.33Å; S1552-Q1770 PolarHBondContact O-NE2 2.84Å; S1555-Q1770 PolarHBondContact OG-NE2 2.9Å; G1654-Q1770 VanDerWaalsContact CA-O 3.23Å; G1654-Q1770 WeakPolarHBondContact CA-O 3.4Å; G1654-Q1770 PolarHBondContact N-O 3.31Å; P1766-Q1770 PolarHBondContact O-N 3.13Å; D1767-Q1770 PolarHBondContact O-N 3.21Å; D1767-Q1770 VanDerWaalsContact O-N 3.12Å; Q1770-N1772 VanDerWaalsContact C-N 3.29Å; Q1770-N1772 PolarHBondContact O-N 3.17Å; Q1770-N1772 VanDerWaalsContact O-N 3.07Å; Q1770-Y1776 HydrophobicContact CG-CE1 4.32Å; Q1770-Y1776 PolarHBondContact NE2-OH 3.29Å; Q1770-Y1776 VanDerWaalsContact OE1-CG 3.3Å; Q1770-L1840 HydrophobicContact CG-CD2 4.41Å | ||
| 1771 | L | 50.4 | Low | 63.7 | Low | 78.2 Ų | 78.2 | 74.2 Ų | 74.2 | 41% | 0.409 | 37% | 0.367 | S | S | . | . | trans | -93.9 | 39.3 | 169.3 | -90 | 132.3 | 0 | 0 | 0 | 110.7 | S1555 P1653 V1658 P1738 F1769 Q1773 Y1776 | S1555-L1771 WeakPolarHBondContact OG-CD1 3.5Å; S1555-L1771 WeakPolarHBondContact OG-CD2 3.32Å; P1653-L1771 HydrophobicContact CB-CD1 3.98Å; P1653-L1771 HydrophobicContact CB-CG 3.98Å; P1653-L1771 VanDerWaalsContact O-CD1 3.25Å; P1653-L1771 WeakPolarHBondContact O-CD1 3.34Å; V1658-L1771 HydrophobicContact CG2-CD2 3.97Å; P1738-L1771 HydrophobicContact CG-CD2 3.58Å; F1769-L1771 VanDerWaalsContact C-N 3.33Å; F1769-L1771 HydrophobicContact CB-CD1 4.5Å; F1769-L1771 PolarHBondContact O-N 3.32Å; L1771-Q1773 PolarHBondContact O-N 3.24Å; L1771-Q1773 VanDerWaalsContact O-N 3.09Å; L1771-Y1776 HydrophobicContact CD2-CD1 4.05Å; L1771-Y1776 HydrophobicContact CD2-CE1 3.9Å | ||
| 1772 | N | 44.7 | Very low | 63.6 | Low | 71.4 Ų | 71.4 | 76.6 Ų | 76.6 | 38% | 0.382 | 38% | 0.381 | S | S | . | . | trans | -97.9 | 136.6 | 174.3 | -83.1 | -21.4 | 0 | 0 | 0 | 111 | S1551 S1552 Q1770 I1774 N1775 | S1551-N1772 WeakPolarHBondContact CB-ND2 3.42Å; S1551-N1772 WeakPolarHBondContact CB-OD1 3.42Å; S1551-N1772 VanDerWaalsContact OG-CG 3.32Å; S1551-N1772 PolarHBondContact OG-ND2 3.32Å; S1551-N1772 PolarHBondContact OG-OD1 2.86Å; S1552-N1772 WeakPolarHBondContact CA-ND2 3.38Å; S1552-N1772 WeakPolarHBondContact CB-ND2 3.35Å; S1552-N1772 PolarHBondContact N-ND2 3.17Å; Q1770-N1772 VanDerWaalsContact C-N 3.29Å; Q1770-N1772 PolarHBondContact O-N 3.17Å; Q1770-N1772 VanDerWaalsContact O-N 3.07Å; N1772-I1774 PolarHBondContact O-N 2.98Å; N1772-I1774 VanDerWaalsContact O-N 3.12Å; N1772-N1775 CarbonylContact O-C 3.57Å; N1772-N1775 PolarHBondContact O-N 3.25Å | ||
| 1773 | Q | 42.5 | Very low | 63.7 | Low | 168.2 Ų | 168.2 | 75.2 Ų | 75.2 | 79% | 0.786 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48.4 | -5.5 | 174.8 | -68.6 | -177.6 | -17.1 | 0 | 0 | 115.9 | L1771 Y1776 | L1771-Q1773 PolarHBondContact O-N 3.24Å; L1771-Q1773 VanDerWaalsContact O-N 3.09Å; Q1773-Y1776 WeakPolarHBondContact O-CE2 3.37Å |
| 1774 | I | 40.8 | Very low | 63.8 | Low | 140.8 Ų | 140.8 | 74.7 Ų | 74.7 | 72% | 0.722 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.8 | -19.5 | -178.4 | -56.5 | 173.6 | 0 | 0 | 0 | 111.4 | N1772 Y1776 | N1772-I1774 PolarHBondContact O-N 2.98Å; N1772-I1774 VanDerWaalsContact O-N 3.12Å; I1774-Y1776 HydrophobicContact CB-CD2 3.66Å; I1774-Y1776 HydrophobicContact CB-CE2 4.04Å; I1774-Y1776 HydrophobicContact CD1-CD2 4.42Å; I1774-Y1776 HydrophobicContact CD1-CE2 4.12Å; I1774-Y1776 HydrophobicContact CG2-CD2 3.3Å; I1774-Y1776 HydrophobicContact CG2-CE2 3.39Å; I1774-Y1776 HydrophobicContact CG2-CG 4.22Å; I1774-Y1776 PolarHBondContact O-N 3.5Å |
| 1775 | N | 38.3 | Very low | 63.8 | Low | 128 Ų | 128 | 76.4 Ų | 76.4 | 68% | 0.684 | 38% | 0.38 | S | S | * | . | trans | -121.5 | 69.8 | -177.4 | -90.6 | -19.1 | 0 | 0 | 0 | 111.4 | N1772 H1777 | N1772-N1775 CarbonylContact O-C 3.57Å; N1772-N1775 PolarHBondContact O-N 3.25Å; N1775-H1777 VanDerWaalsContact C-N 3.32Å; N1775-H1777 PolarHBondContact O-N 3.06Å; N1775-H1777 VanDerWaalsContact O-N 3.11Å | ||
| 1776 | Y | 44.4 | Very low | 63.8 | Low | 94.2 Ų | 94.2 | 76.1 Ų | 76.1 | 37% | 0.369 | 38% | 0.382 | S | S | . | . | trans | -68.8 | 36.2 | 166.3 | -75.3 | -79.4 | 0 | 0 | 0 | 110.9 | P1738 S1739 Q1770 L1771 Q1773 I1774 K1778 | P1738-Y1776 HydrophobicContact CB-CE1 4.29Å; P1738-Y1776 VanDerWaalsContact CD-CD1 3.47Å; P1738-Y1776 VanDerWaalsContact CD-CE1 3.42Å; P1738-Y1776 HydrophobicContact CG-CD1 3.94Å; P1738-Y1776 HydrophobicContact CG-CD2 3.84Å; P1738-Y1776 HydrophobicContact CG-CE1 3.73Å; P1738-Y1776 HydrophobicContact CG-CE2 3.74Å; P1738-Y1776 HydrophobicContact CG-CG 3.86Å; P1738-Y1776 VanDerWaalsContact CG-CZ 3.49Å; S1739-Y1776 WeakPolarHBondContact OG-CB 3.37Å; Q1770-Y1776 HydrophobicContact CG-CE1 4.32Å; Q1770-Y1776 PolarHBondContact NE2-OH 3.29Å; Q1770-Y1776 VanDerWaalsContact OE1-CG 3.3Å; L1771-Y1776 HydrophobicContact CD2-CD1 4.05Å; L1771-Y1776 HydrophobicContact CD2-CE1 3.9Å; Q1773-Y1776 WeakPolarHBondContact O-CE2 3.37Å; I1774-Y1776 HydrophobicContact CB-CD2 3.66Å; I1774-Y1776 HydrophobicContact CB-CE2 4.04Å; I1774-Y1776 HydrophobicContact CD1-CD2 4.42Å; I1774-Y1776 HydrophobicContact CD1-CE2 4.12Å; I1774-Y1776 HydrophobicContact CG2-CD2 3.3Å; I1774-Y1776 HydrophobicContact CG2-CE2 3.39Å; I1774-Y1776 HydrophobicContact CG2-CG 4.22Å; I1774-Y1776 PolarHBondContact O-N 3.5Å; Y1776-K1778 PolarHBondContact O-N 3.03Å | ||
| 1777 | H | 43 | Very low | 63.9 | Low | 164 Ų | 164 | 81.8 Ų | 81.8 | 76% | 0.759 | 41% | 0.407 | S | S | * | . | trans | -69.8 | 57.7 | 170.3 | -87.9 | -76.3 | 0 | 0 | 0 | 111.8 | N1775 D1779 | N1775-H1777 VanDerWaalsContact C-N 3.32Å; N1775-H1777 PolarHBondContact O-N 3.06Å; N1775-H1777 VanDerWaalsContact O-N 3.11Å; H1777-D1779 PolarHBondContact O-N 3.28Å; H1777-D1779 VanDerWaalsContact O-N 3.11Å | ||
| 1778 | K | 50.8 | Low | 63.8 | Low | 146.2 Ų | 146.2 | 82.3 Ų | 82.3 | 64% | 0.636 | 42% | 0.416 | S | S | * | . | trans | -85.9 | 89.2 | 171.4 | -107.2 | -177.2 | 178.7 | -179.3 | 0 | 108.8 | Y1776 Y1780 | Y1776-K1778 PolarHBondContact O-N 3.03Å; K1778-Y1780 VanDerWaalsContact C-N 3.3Å; K1778-Y1780 PolarHBondContact O-N 3.05Å | ||
| 1779 | D | 63.2 | Low | 63.6 | Low | 143.6 Ų | 143.6 | 85.4 Ų | 85.4 | 77% | 0.768 | 44% | 0.435 | S | S | * | . | P | Polyproline II helix | trans | -64.8 | 126.1 | 172.9 | -63.8 | -36 | 0 | 0 | 0 | 108.7 | H1777 S1781 | H1777-D1779 PolarHBondContact O-N 3.28Å; H1777-D1779 VanDerWaalsContact O-N 3.11Å; D1779-S1781 PolarHBondContact O-N 3.07Å |
| 1780 | Y | 75.9 | Confident | 63.8 | Low | 64.8 Ų | 64.8 | 87.8 Ų | 87.8 | 25% | 0.254 | 45% | 0.448 | S | S | . | . | trans | -54.9 | 144.8 | 170.9 | -73.1 | -70 | 0 | 0 | 0 | 109.8 | L1734 P1735 F1769 K1778 T1782 L1784 T1785 I1796 | L1734-Y1780 HydrophobicContact CB-CE2 4.25Å; L1734-Y1780 HydrophobicContact CD1-CD1 4.33Å; L1734-Y1780 HydrophobicContact CD1-CD2 4.15Å; L1734-Y1780 HydrophobicContact CD1-CE2 4.37Å; L1734-Y1780 HydrophobicContact CD1-CG 4.17Å; L1734-Y1780 HydrophobicContact CD2-CD1 4.37Å; L1734-Y1780 HydrophobicContact CD2-CE1 4.41Å; P1735-Y1780 WeakPolarHBondContact CG-OH 3.4Å; P1735-Y1780 VanDerWaalsContact O-CE2 3.31Å; P1735-Y1780 WeakPolarHBondContact O-CE2 3.34Å; P1735-Y1780 VanDerWaalsContact O-CZ 3.32Å; P1735-Y1780 PolarHBondContact O-OH 3.29Å; F1769-Y1780 HydrophobicContact CB-CE1 4.12Å; F1769-Y1780 AromaticContact CD1-CD1 3.9Å; F1769-Y1780 HydrophobicContact CD1-CD1 3.96Å; F1769-Y1780 AromaticContact CD1-CE1 3.68Å; F1769-Y1780 HydrophobicContact CD1-CE1 3.68Å; F1769-Y1780 AromaticContact CD2-CE1 3.69Å; F1769-Y1780 HydrophobicContact CD2-CE1 3.69Å; F1769-Y1780 AromaticContact CE1-CD1 3.88Å; F1769-Y1780 HydrophobicContact CE1-CD1 4.03Å; F1769-Y1780 AromaticContact CE1-CE1 3.91Å; F1769-Y1780 HydrophobicContact CE1-CE1 3.95Å; F1769-Y1780 AromaticContact CE2-CE1 3.88Å; F1769-Y1780 HydrophobicContact CE2-CE1 3.93Å; F1769-Y1780 HydrophobicContact CG-CD1 4.29Å; F1769-Y1780 AromaticContact CG-CE1 3.55Å; F1769-Y1780 HydrophobicContact CG-CE1 3.55Å; F1769-Y1780 HydrophobicContact CZ-CD1 4.31Å; F1769-Y1780 AromaticContact CZ-CE1 3.87Å; F1769-Y1780 HydrophobicContact CZ-CE1 4.07Å; K1778-Y1780 VanDerWaalsContact C-N 3.3Å; K1778-Y1780 PolarHBondContact O-N 3.05Å; Y1780-T1782 PolarHBondContact O-N 3.14Å; Y1780-L1784 HydrophobicContact CD1-CD1 4.43Å; Y1780-T1785 HydrophobicContact CD2-CG2 4.41Å; Y1780-T1785 HydrophobicContact CG-CG2 4.43Å; Y1780-I1796 HydrophobicContact CD1-CD1 3.87Å; Y1780-I1796 HydrophobicContact CD2-CD1 3.88Å; Y1780-I1796 HydrophobicContact CD2-CG1 4.16Å; Y1780-I1796 HydrophobicContact CE1-CD1 3.62Å; Y1780-I1796 HydrophobicContact CE2-CD1 4Å; Y1780-I1796 HydrophobicContact CE2-CG1 4.2Å; Y1780-I1796 HydrophobicContact CG-CD1 3.81Å | ||
| 1781 | S | 78.2 | Confident | 64.8 | Low | 16.4 Ų | 16.4 | 85.4 Ų | 85.4 | 12% | 0.115 | 44% | 0.438 | C | S | . | . | trans | -47.6 | 132.8 | 175.2 | 165.1 | 0 | 0 | 0 | 0 | 110.8 | M1660 D1664 D1779 L1783 L1784 T1785 | M1660-S1781 PolarHBondContact O-OG 3.33Å; D1664-S1781 WeakPolarHBondContact OD2-CA 3.13Å; D1664-S1781 VanDerWaalsContact OD2-CB 3.28Å; D1664-S1781 WeakPolarHBondContact OD2-CB 3.26Å; D1664-S1781 PolarHBondContact OD2-OG 3.14Å; D1779-S1781 PolarHBondContact O-N 3.07Å; S1781-L1783 PolarHBondContact O-N 2.93Å; S1781-L1783 VanDerWaalsContact O-N 3.09Å; S1781-L1783 WeakPolarHBondContact OG-CB 3.36Å; S1781-L1783 PolarHBondContact OG-N 3.05Å; S1781-L1784 WeakPolarHBondContact O-CA 3.22Å; S1781-L1784 WeakPolarHBondContact O-CB 3.28Å; S1781-L1784 PolarHBondContact O-N 2.9Å; S1781-T1785 PolarHBondContact O-N 3.17Å; S1781-T1785 PolarHBondContact O-OG1 2.87Å | ||
| 1782 | T | 79 | Confident | 66.3 | Low | 58 Ų | 58 | 83 Ų | 83 | 36% | 0.356 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -55.2 | -27.1 | 177.8 | 60 | 0 | 0 | 0 | 0 | 112.4 | D1664 R1693 Y1780 L1784 T1785 D1786 G1791 | D1664-T1782 PolarHBondContact OD1-OG1 2.88Å; D1664-T1782 PolarHBondContact OD2-N 2.98Å; D1664-T1782 PolarHBondContact OD2-OG1 3.14Å; R1693-T1782 PolarHBondContact NH2-OG1 2.96Å; R1693-T1782 VanDerWaalsContact NH2-OG1 3.07Å; Y1780-T1782 PolarHBondContact O-N 3.14Å; T1782-L1784 PolarHBondContact O-N 2.98Å; T1782-T1785 PolarHBondContact O-N 3.21Å; T1782-D1786 WeakPolarHBondContact CB-OD2 3.35Å; T1782-D1786 VanDerWaalsContact O-CB 3.3Å; T1782-D1786 WeakPolarHBondContact O-CB 3.37Å; T1782-D1786 PolarHBondContact O-N 3.12Å; T1782-D1786 VanDerWaalsContact O-N 3.12Å; T1782-G1791 WeakPolarHBondContact O-CA 3.33Å |
| 1783 | L | 81.8 | Confident | 67.9 | Low | 0 Ų | 0 | 80.7 Ų | 80.7 | 0% | 0 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -60.7 | -29.4 | 173.3 | -70.9 | 166.6 | 0 | 0 | 0 | 113 | F1663 D1664 L1667 R1693 L1696 L1697 S1781 G1791 L1792 | F1663-L1783 HydrophobicContact CB-CD1 3.66Å; D1664-L1783 HydrophobicContact CB-CD1 4.38Å; D1664-L1783 WeakPolarHBondContact OD1-CD1 3.18Å; D1664-L1783 VanDerWaalsContact OD1-CG 3.23Å; D1664-L1783 WeakPolarHBondContact OD1-CG 3.32Å; L1667-L1783 HydrophobicContact CD1-CD1 4.27Å; L1667-L1783 HydrophobicContact CD1-CD2 3.86Å; L1667-L1783 HydrophobicContact CD1-CG 4.28Å; R1693-L1783 HydrophobicContact CG-CD2 4.33Å; L1696-L1783 HydrophobicContact CD2-CD1 3.95Å; L1696-L1783 HydrophobicContact CD2-CD2 4Å; L1696-L1783 HydrophobicContact CD2-CG 4.37Å; L1697-L1783 HydrophobicContact CD2-CB 4.45Å; L1697-L1783 HydrophobicContact CD2-CD2 3.9Å; L1697-L1783 HydrophobicContact CG-CD2 4.41Å; S1781-L1783 PolarHBondContact O-N 2.93Å; S1781-L1783 VanDerWaalsContact O-N 3.09Å; S1781-L1783 WeakPolarHBondContact OG-CB 3.36Å; S1781-L1783 PolarHBondContact OG-N 3.05Å; L1783-G1791 CarbonylContact O-C 3.54Å; L1783-G1791 VanDerWaalsContact O-CA 3.29Å; L1783-G1791 WeakPolarHBondContact O-CA 3.27Å; L1783-L1792 WeakPolarHBondContact O-CB 3.44Å; L1783-L1792 VanDerWaalsContact O-CG 3.26Å; L1783-L1792 WeakPolarHBondContact O-CG 3.35Å; L1783-L1792 PolarHBondContact O-N 3.06Å |
| 1784 | L | 82.8 | Confident | 69.8 | Low | 7 Ų | 7 | 73.5 Ų | 73.5 | 4% | 0.037 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -85 | -48.9 | 178.4 | -60.8 | 177.7 | 0 | 0 | 0 | 111.5 | M1660 F1706 L1734 F1769 Y1780 S1781 T1782 L1792 G1793 I1794 | M1660-L1784 HydrophobicContact CB-CD1 4.25Å; M1660-L1784 HydrophobicContact CB-CG 4.45Å; M1660-L1784 HydrophobicContact CE-CD2 3.92Å; M1660-L1784 HydrophobicContact CG-CD1 4.2Å; M1660-L1784 HydrophobicContact CG-CD2 4.14Å; M1660-L1784 HydrophobicContact CG-CG 4.25Å; M1660-L1784 HydrophobicContact SD-CD2 3.96Å; M1660-L1784 HydrophobicContact SD-CG 4.39Å; F1706-L1784 HydrophobicContact CE1-CD2 3.9Å; F1706-L1784 HydrophobicContact CZ-CD2 4.43Å; L1734-L1784 HydrophobicContact CD1-CB 4.22Å; L1734-L1784 HydrophobicContact CD2-CD1 4.31Å; F1769-L1784 HydrophobicContact CE1-CD1 3.69Å; F1769-L1784 HydrophobicContact CZ-CD1 4.07Å; Y1780-L1784 HydrophobicContact CD1-CD1 4.43Å; S1781-L1784 WeakPolarHBondContact O-CA 3.22Å; S1781-L1784 WeakPolarHBondContact O-CB 3.28Å; S1781-L1784 PolarHBondContact O-N 2.9Å; T1782-L1784 PolarHBondContact O-N 2.98Å; L1784-L1792 HydrophobicContact CD2-CD1 4.1Å; L1784-G1793 CarbonylContact O-C 3.47Å; L1784-G1793 PolarHBondContact O-N 3.18Å; L1784-G1793 VanDerWaalsContact O-N 3.08Å; L1784-I1794 HydrophobicContact CB-CB 4.41Å; L1784-I1794 HydrophobicContact CB-CD1 4.39Å; L1784-I1794 HydrophobicContact CD2-CD1 4.02Å; L1784-I1794 WeakPolarHBondContact O-CA 3.35Å; L1784-I1794 WeakPolarHBondContact O-CB 3.4Å; L1784-I1794 WeakPolarHBondContact O-CG1 3.11Å; L1784-I1794 PolarHBondContact O-N 2.99Å |
| 1785 | T | 81.3 | Confident | 71.8 | Confident | 46.4 Ų | 46.4 | 69.9 Ų | 69.9 | 29% | 0.285 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -92 | -33.8 | -165 | 49.4 | 0 | 0 | 0 | 0 | 115 | L1734 Y1780 S1781 T1782 I1794 | L1734-T1785 HydrophobicContact CD1-CG2 4.01Å; Y1780-T1785 HydrophobicContact CD2-CG2 4.41Å; Y1780-T1785 HydrophobicContact CG-CG2 4.43Å; S1781-T1785 PolarHBondContact O-N 3.17Å; S1781-T1785 PolarHBondContact O-OG1 2.87Å; T1782-T1785 PolarHBondContact O-N 3.21Å; T1785-I1794 WeakPolarHBondContact CA-O 3.43Å |
| 1786 | D | 80.7 | Confident | 73.8 | Confident | 63.2 Ų | 63.2 | 65.7 Ų | 65.7 | 34% | 0.338 | 34% | 0.342 | S | S | . | . | S | Bend | trans | -67.1 | 147.8 | -177.5 | -76.7 | -12.6 | 0 | 0 | 0 | 111.2 | T1782 I1790 G1791 L1792 G1793 | T1782-D1786 WeakPolarHBondContact CB-OD2 3.35Å; T1782-D1786 VanDerWaalsContact O-CB 3.3Å; T1782-D1786 WeakPolarHBondContact O-CB 3.37Å; T1782-D1786 PolarHBondContact O-N 3.12Å; T1782-D1786 VanDerWaalsContact O-N 3.12Å; D1786-I1790 HydrophobicContact CB-CB 4.09Å; D1786-I1790 HydrophobicContact CB-CG2 3.92Å; D1786-I1790 VanDerWaalsContact OD2-CG2 3.32Å; D1786-I1790 WeakPolarHBondContact OD2-CG2 3.39Å; D1786-G1791 CarbonylContact O-C 3.54Å; D1786-G1791 WeakPolarHBondContact O-CA 3.42Å; D1786-G1791 PolarHBondContact O-N 3.16Å; D1786-L1792 PolarHBondContact O-N 2.99Å; D1786-G1793 VanDerWaalsContact O-CA 3.26Å; D1786-G1793 WeakPolarHBondContact O-CA 3.37Å; D1786-G1793 PolarHBondContact O-N 3.17Å |
| 1787 | Q | 79.6 | Confident | 75.6 | Confident | 141.4 Ų | 141.4 | 61.3 Ų | 61.3 | 66% | 0.661 | 33% | 0.326 | S | S | * | . | P | Polyproline II helix | trans | -67 | 150.8 | 177.3 | -66.8 | -134.2 | -19.3 | 0 | 0 | 111.6 | I1790 G1791 | Q1787-I1790 WeakPolarHBondContact O-CB 3.48Å; Q1787-I1790 PolarHBondContact O-N 3.08Å; Q1787-G1791 PolarHBondContact O-N 3.19Å; Q1787-G1791 VanDerWaalsContact O-N 3.15Å |
| 1788 | S | 73.1 | Confident | 77.4 | Confident | 91 Ų | 91 | 57.6 Ų | 57.6 | 64% | 0.636 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56 | 135.9 | 171.1 | -174.3 | 0 | 0 | 0 | 0 | 110.1 | G1791 | S1788-G1791 WeakPolarHBondContact CA-O 3.39Å; S1788-G1791 PolarHBondContact N-O 3.2Å |
| 1789 | P | 72.5 | Confident | 78.9 | Confident | 81.8 Ų | 81.8 | 51 Ų | 51 | 53% | 0.531 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -95.5 | 10.8 | 13.8 | 38 | -36.8 | 0 | 0 | 0 | 115.4 | L1697 | L1697-P1789 VanDerWaalsContact CD1-O 3.28Å; L1697-P1789 WeakPolarHBondContact CD1-O 3.39Å |
| 1790 | I | 76.4 | Confident | 79.7 | Confident | 88 Ų | 88 | 45.7 Ų | 45.7 | 45% | 0.451 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.4 | -34.5 | -173.8 | -57.6 | 170.9 | 0 | 0 | 0 | 111.4 | R1693 L1697 D1786 Q1787 | R1693-I1790 WeakPolarHBondContact CD-O 3.27Å; R1693-I1790 PolarHBondContact NE-O 3.27Å; R1693-I1790 PolarHBondContact NH2-O 2.83Å; L1697-I1790 WeakPolarHBondContact CD1-O 3.39Å; D1786-I1790 HydrophobicContact CB-CB 4.09Å; D1786-I1790 HydrophobicContact CB-CG2 3.92Å; D1786-I1790 VanDerWaalsContact OD2-CG2 3.32Å; D1786-I1790 WeakPolarHBondContact OD2-CG2 3.39Å; Q1787-I1790 WeakPolarHBondContact O-CB 3.48Å; Q1787-I1790 PolarHBondContact O-N 3.08Å |
| 1791 | G | 81 | Confident | 79.8 | Confident | 1.6 Ų | 1.6 | 44.4 Ų | 44.4 | 2% | 0.016 | 25% | 0.249 | C | C | . | . | S | Bend | trans | -140.8 | -171.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | T1782 L1783 D1786 Q1787 S1788 G1793 | T1782-G1791 WeakPolarHBondContact O-CA 3.33Å; L1783-G1791 CarbonylContact O-C 3.54Å; L1783-G1791 VanDerWaalsContact O-CA 3.29Å; L1783-G1791 WeakPolarHBondContact O-CA 3.27Å; D1786-G1791 CarbonylContact O-C 3.54Å; D1786-G1791 WeakPolarHBondContact O-CA 3.42Å; D1786-G1791 PolarHBondContact O-N 3.16Å; Q1787-G1791 PolarHBondContact O-N 3.19Å; Q1787-G1791 VanDerWaalsContact O-N 3.15Å; S1788-G1791 WeakPolarHBondContact CA-O 3.39Å; S1788-G1791 PolarHBondContact N-O 3.2Å; G1791-G1793 VanDerWaalsContact C-N 3.33Å |
| 1792 | L | 81.9 | Confident | 79.9 | Confident | 26.2 Ų | 26.2 | 43.8 Ų | 43.8 | 14% | 0.137 | 25% | 0.245 | C | C | . | . | trans | -82.8 | -13.2 | 179.5 | -68.2 | 168.2 | 0 | 0 | 0 | 113.2 | L1697 L1700 Q1701 F1706 L1716 L1783 L1784 D1786 I1794 | L1697-L1792 HydrophobicContact CB-CD2 4.43Å; L1697-L1792 HydrophobicContact CD2-CD2 4.07Å; L1697-L1792 HydrophobicContact CD2-CG 3.86Å; L1700-L1792 HydrophobicContact CB-CD1 4.16Å; L1700-L1792 HydrophobicContact CB-CD2 4.38Å; L1700-L1792 HydrophobicContact CD1-CD1 4.26Å; Q1701-L1792 HydrophobicContact CG-CD2 3.65Å; Q1701-L1792 VanDerWaalsContact CG-CD2 3.48Å; F1706-L1792 HydrophobicContact CZ-CD1 4.09Å; L1716-L1792 HydrophobicContact CD1-CB 4.42Å; L1716-L1792 HydrophobicContact CD1-CD1 3.84Å; L1716-L1792 HydrophobicContact CD1-CD2 4.2Å; L1716-L1792 HydrophobicContact CD1-CG 4.36Å; L1783-L1792 WeakPolarHBondContact O-CB 3.44Å; L1783-L1792 VanDerWaalsContact O-CG 3.26Å; L1783-L1792 WeakPolarHBondContact O-CG 3.35Å; L1783-L1792 PolarHBondContact O-N 3.06Å; L1784-L1792 HydrophobicContact CD2-CD1 4.1Å; D1786-L1792 PolarHBondContact O-N 2.99Å; L1792-I1794 VanDerWaalsContact C-N 3.29Å; L1792-I1794 HydrophobicContact CB-CD1 4.08Å; L1792-I1794 HydrophobicContact CB-CG1 3.84Å; L1792-I1794 HydrophobicContact CD1-CD1 4.14Å; L1792-I1794 HydrophobicContact CG-CD1 4.33Å; L1792-I1794 PolarHBondContact O-N 3.17Å | ||
| 1793 | G | 79.7 | Confident | 80 | Confident | 23.2 Ų | 23.2 | 41.1 Ų | 41.1 | 24% | 0.239 | 23% | 0.228 | C | C | . | . | trans | 68.1 | 22.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | L1784 D1786 G1791 Q1795 | L1784-G1793 CarbonylContact O-C 3.47Å; L1784-G1793 PolarHBondContact O-N 3.18Å; L1784-G1793 VanDerWaalsContact O-N 3.08Å; D1786-G1793 VanDerWaalsContact O-CA 3.26Å; D1786-G1793 WeakPolarHBondContact O-CA 3.37Å; D1786-G1793 PolarHBondContact O-N 3.17Å; G1791-G1793 VanDerWaalsContact C-N 3.33Å; G1793-Q1795 PolarHBondContact O-N 3.12Å | ||
| 1794 | I | 82 | Confident | 79.8 | Confident | 18.6 Ų | 18.6 | 43.4 Ų | 43.4 | 10% | 0.095 | 24% | 0.242 | C | C | . | . | P | Polyproline II helix | trans | -70.6 | 126 | 178.9 | -49.6 | 172.9 | 0 | 0 | 0 | 108.5 | F1706 L1716 V1732 L1734 L1784 T1785 L1792 | F1706-I1794 HydrophobicContact CE1-CD1 4.25Å; F1706-I1794 HydrophobicContact CZ-CD1 4.38Å; L1716-I1794 HydrophobicContact CD1-CD1 3.62Å; L1716-I1794 HydrophobicContact CD1-CG1 4.25Å; L1716-I1794 HydrophobicContact CD2-CD1 4.06Å; L1716-I1794 HydrophobicContact CG-CD1 4.47Å; V1732-I1794 WeakPolarHBondContact O-CG2 3.39Å; L1734-I1794 HydrophobicContact CD1-CB 4.13Å; L1734-I1794 HydrophobicContact CD1-CG2 4.12Å; L1734-I1794 HydrophobicContact CG-CB 4.3Å; L1734-I1794 HydrophobicContact CG-CG2 3.75Å; L1784-I1794 HydrophobicContact CB-CB 4.41Å; L1784-I1794 HydrophobicContact CB-CD1 4.39Å; L1784-I1794 HydrophobicContact CD2-CD1 4.02Å; L1784-I1794 WeakPolarHBondContact O-CA 3.35Å; L1784-I1794 WeakPolarHBondContact O-CB 3.4Å; L1784-I1794 WeakPolarHBondContact O-CG1 3.11Å; L1784-I1794 PolarHBondContact O-N 2.99Å; T1785-I1794 WeakPolarHBondContact CA-O 3.43Å; L1792-I1794 VanDerWaalsContact C-N 3.29Å; L1792-I1794 HydrophobicContact CB-CD1 4.08Å; L1792-I1794 HydrophobicContact CB-CG1 3.84Å; L1792-I1794 HydrophobicContact CD1-CD1 4.14Å; L1792-I1794 HydrophobicContact CG-CD1 4.33Å; L1792-I1794 PolarHBondContact O-N 3.17Å |
| 1795 | Q | 81.6 | Confident | 79.5 | Confident | 64.6 Ų | 64.6 | 48.1 Ų | 48.1 | 30% | 0.302 | 26% | 0.262 | S | S | . | . | P | Polyproline II helix | trans | -95.2 | 151.8 | -176.4 | -65.9 | -174.6 | -34.1 | 0 | 0 | 110.6 | P1730 V1731 V1732 L1733 L1734 G1793 I1801 | P1730-Q1795 VanDerWaalsContact C-CB 3.43Å; P1730-Q1795 VanDerWaalsContact CA-CB 3.47Å; P1730-Q1795 HydrophobicContact CB-CB 3.33Å; P1730-Q1795 HydrophobicContact CB-CG 3.55Å; V1731-Q1795 VanDerWaalsContact C-C 3.46Å; V1731-Q1795 VanDerWaalsContact C-CB 3.45Å; V1731-Q1795 CarbonylContact C-O 3.54Å; V1731-Q1795 HydrophobicContact CB-CB 4.11Å; V1731-Q1795 CarbonylContact O-C 3.56Å; V1731-Q1795 WeakPolarHBondContact O-CA 3.2Å; V1731-Q1795 WeakPolarHBondContact O-CB 3.38Å; V1731-Q1795 PolarHBondContact O-N 3.09Å; V1732-Q1795 WeakPolarHBondContact CA-O 3.37Å; V1732-Q1795 WeakPolarHBondContact CG2-O 3.38Å; V1732-Q1795 PolarHBondContact N-O 2.84Å; L1733-Q1795 WeakPolarHBondContact CA-O 3.37Å; L1733-Q1795 HydrophobicContact CD2-CB 3.85Å; L1733-Q1795 WeakPolarHBondContact CD2-O 3.42Å; L1734-Q1795 PolarHBondContact N-O 3.19Å; G1793-Q1795 PolarHBondContact O-N 3.12Å; Q1795-I1801 HydrophobicContact CB-CD1 4.36Å; Q1795-I1801 HydrophobicContact CB-CG2 4Å |
| 1796 | I | 81.7 | Confident | 79.4 | Confident | 39.4 Ų | 39.4 | 46.6 Ų | 46.6 | 20% | 0.202 | 25% | 0.252 | C | S | . | . | B | Isolated β-bridge | trans | -84.5 | 135.1 | 176.1 | -59.4 | 173 | 0 | 0 | 0 | 109 | V1732 L1734 P1736 Y1780 Y1798 I1801 | V1732-I1796 HydrophobicContact CG2-CB 4.31Å; V1732-I1796 HydrophobicContact CG2-CG2 4.34Å; L1734-I1796 HydrophobicContact CB-CG1 4.36Å; L1734-I1796 CarbonylContact O-C 3.53Å; P1736-I1796 VanDerWaalsContact CA-CG2 3.43Å; P1736-I1796 HydrophobicContact CB-CG2 3.58Å; P1736-I1796 HydrophobicContact CG-CG2 4.18Å; Y1780-I1796 HydrophobicContact CD1-CD1 3.87Å; Y1780-I1796 HydrophobicContact CD2-CD1 3.88Å; Y1780-I1796 HydrophobicContact CD2-CG1 4.16Å; Y1780-I1796 HydrophobicContact CE1-CD1 3.62Å; Y1780-I1796 HydrophobicContact CE2-CD1 4Å; Y1780-I1796 HydrophobicContact CE2-CG1 4.2Å; Y1780-I1796 HydrophobicContact CG-CD1 3.81Å; I1796-Y1798 HydrophobicContact CB-CD2 4.07Å; I1796-Y1798 HydrophobicContact CB-CE2 3.75Å; I1796-Y1798 HydrophobicContact CD1-CE2 4.17Å; I1796-Y1798 WeakPolarHBondContact CD1-OH 3.41Å; I1796-Y1798 HydrophobicContact CG1-CE2 4.48Å; I1796-Y1798 HydrophobicContact CG2-CD1 4.2Å; I1796-Y1798 HydrophobicContact CG2-CD2 4.11Å; I1796-Y1798 HydrophobicContact CG2-CE1 3.86Å; I1796-Y1798 HydrophobicContact CG2-CE2 3.8Å; I1796-Y1798 HydrophobicContact CG2-CG 4.3Å; I1796-Y1798 PolarHBondContact O-N 3.02Å; I1796-I1801 WeakPolarHBondContact O-CB 3.48Å; I1796-I1801 WeakPolarHBondContact O-CD1 3.41Å |
| 1797 | A | 81.7 | Confident | 79.5 | Confident | 2.6 Ų | 2.6 | 43.7 Ų | 43.7 | 2% | 0.021 | 24% | 0.236 | C | C | . | . | trans | -75.8 | 65.4 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | V1732 L1733 L1734 P1736 Y1753 I1757 I1763 V1802 | V1732-A1797 HydrophobicContact CB-CB 3.77Å; V1732-A1797 HydrophobicContact CG2-CB 3.88Å; L1733-A1797 HydrophobicContact CB-CB 3.81Å; L1733-A1797 HydrophobicContact CD1-CB 3.94Å; L1734-A1797 HydrophobicContact CD1-CB 3.83Å; L1734-A1797 VanDerWaalsContact O-CB 3.27Å; L1734-A1797 WeakPolarHBondContact O-CB 3.37Å; L1734-A1797 PolarHBondContact O-N 3.15Å; P1736-A1797 WeakPolarHBondContact CG-O 3.46Å; Y1753-A1797 PolarHBondContact OH-O 3.13Å; I1757-A1797 HydrophobicContact CD1-CB 4.25Å; I1763-A1797 HydrophobicContact CD1-CB 4.05Å; A1797-V1802 HydrophobicContact CB-CG2 3.9Å | ||
| 1798 | Y | 81 | Confident | 79.5 | Confident | 84.6 Ų | 84.6 | 37.6 Ų | 37.6 | 33% | 0.332 | 21% | 0.207 | S | C | . | . | trans | -63.9 | 149.6 | 167.9 | -65.1 | -59.6 | 0 | 0 | 0 | 110.1 | P1736 E1740 I1741 I1796 S1800 I1801 V1802 | P1736-Y1798 HydrophobicContact CB-CD1 3.95Å; P1736-Y1798 HydrophobicContact CB-CE1 3.77Å; E1740-Y1798 HydrophobicContact CB-CE1 4.08Å; E1740-Y1798 HydrophobicContact CG-CE1 4.43Å; E1740-Y1798 PolarHBondContact OE1-OH 3.16Å; E1740-Y1798 VanDerWaalsContact OE1-OH 3.14Å; E1740-Y1798 VanDerWaalsContact OE2-CE1 3.27Å; E1740-Y1798 WeakPolarHBondContact OE2-CE1 3.26Å; E1740-Y1798 VanDerWaalsContact OE2-CZ 3.25Å; E1740-Y1798 PolarHBondContact OE2-OH 3Å; I1741-Y1798 HydrophobicContact CG2-CD1 4.31Å; I1796-Y1798 HydrophobicContact CB-CD2 4.07Å; I1796-Y1798 HydrophobicContact CB-CE2 3.75Å; I1796-Y1798 HydrophobicContact CD1-CE2 4.17Å; I1796-Y1798 WeakPolarHBondContact CD1-OH 3.41Å; I1796-Y1798 HydrophobicContact CG1-CE2 4.48Å; I1796-Y1798 HydrophobicContact CG2-CD1 4.2Å; I1796-Y1798 HydrophobicContact CG2-CD2 4.11Å; I1796-Y1798 HydrophobicContact CG2-CE1 3.86Å; I1796-Y1798 HydrophobicContact CG2-CE2 3.8Å; I1796-Y1798 HydrophobicContact CG2-CG 4.3Å; I1796-Y1798 PolarHBondContact O-N 3.02Å; Y1798-S1800 VanDerWaalsContact C-N 3.27Å; Y1798-S1800 PolarHBondContact O-N 3.08Å; Y1798-S1800 VanDerWaalsContact O-N 3.12Å; Y1798-I1801 HydrophobicContact CD2-CD1 4.25Å; Y1798-I1801 WeakPolarHBondContact O-CA 3.34Å; Y1798-I1801 WeakPolarHBondContact O-CB 3.31Å; Y1798-I1801 PolarHBondContact O-N 3.06Å; Y1798-V1802 PolarHBondContact O-N 3.03Å | ||
| 1799 | P | 81.8 | Confident | 79.7 | Confident | 7.8 Ų | 7.8 | 35.8 Ų | 35.8 | 5% | 0.051 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -55 | -35.3 | -176.9 | -29.6 | 36 | 0 | 0 | 0 | 114.9 | M1744 Y1753 I1801 V1802 L1803 F1837 I1841 L1843 | M1744-P1799 HydrophobicContact CB-CG 4.45Å; M1744-P1799 HydrophobicContact CE-CB 4.01Å; M1744-P1799 HydrophobicContact CE-CG 3.74Å; M1744-P1799 HydrophobicContact SD-CG 3.95Å; Y1753-P1799 HydrophobicContact CE2-CG 4.36Å; Y1753-P1799 WeakPolarHBondContact OH-CD 3.38Å; P1799-I1801 VanDerWaalsContact C-N 3.33Å; P1799-I1801 PolarHBondContact O-N 3.31Å; P1799-V1802 PolarHBondContact O-N 3.33Å; P1799-L1803 VanDerWaalsContact O-CB 3.28Å; P1799-L1803 WeakPolarHBondContact O-CB 3.39Å; P1799-L1803 PolarHBondContact O-N 3.13Å; P1799-F1837 HydrophobicContact CB-CE2 4.04Å; P1799-F1837 HydrophobicContact CB-CZ 4.02Å; P1799-I1841 HydrophobicContact CB-CB 4.29Å; P1799-I1841 HydrophobicContact CB-CD1 3.86Å; P1799-I1841 HydrophobicContact CB-CG1 3.41Å; P1799-I1841 VanDerWaalsContact CB-CG1 3.41Å; P1799-I1841 HydrophobicContact CB-CG2 3.49Å; P1799-I1841 HydrophobicContact CG-CD1 4.13Å; P1799-I1841 HydrophobicContact CG-CG1 4.28Å; P1799-I1841 HydrophobicContact CG-CG2 3.62Å; P1799-L1843 HydrophobicContact CB-CD2 3.77Å |
| 1800 | S | 79.7 | Confident | 79.9 | Confident | 32.6 Ų | 32.6 | 32.6 Ų | 32.6 | 23% | 0.228 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -63.6 | -37.9 | 174.4 | 52.5 | 0 | 0 | 0 | 0 | 113 | Y1798 L1803 T1804 C1848 | Y1798-S1800 VanDerWaalsContact C-N 3.27Å; Y1798-S1800 PolarHBondContact O-N 3.08Å; Y1798-S1800 VanDerWaalsContact O-N 3.12Å; S1800-L1803 PolarHBondContact O-N 3.16Å; S1800-T1804 WeakPolarHBondContact O-CB 3.4Å; S1800-T1804 VanDerWaalsContact O-CG2 3.28Å; S1800-T1804 WeakPolarHBondContact O-CG2 3.39Å; S1800-T1804 PolarHBondContact O-N 3.18Å; S1800-T1804 PolarHBondContact O-OG1 2.94Å; S1800-C1848 WeakPolarHBondContact CB-SG 3.38Å |
| 1801 | I | 78.9 | Confident | 80 | Confident | 38.2 Ų | 38.2 | 28.6 Ų | 28.6 | 20% | 0.196 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -71.9 | -44.2 | 178.8 | -61.6 | -140.5 | 0 | 0 | 0 | 110.1 | L1733 Q1795 I1796 Y1798 P1799 L1803 T1804 K1805 | L1733-I1801 HydrophobicContact CD1-CG2 4.15Å; L1733-I1801 HydrophobicContact CD2-CG2 4.08Å; Q1795-I1801 HydrophobicContact CB-CD1 4.36Å; Q1795-I1801 HydrophobicContact CB-CG2 4Å; I1796-I1801 WeakPolarHBondContact O-CB 3.48Å; I1796-I1801 WeakPolarHBondContact O-CD1 3.41Å; Y1798-I1801 HydrophobicContact CD2-CD1 4.25Å; Y1798-I1801 WeakPolarHBondContact O-CA 3.34Å; Y1798-I1801 WeakPolarHBondContact O-CB 3.31Å; Y1798-I1801 PolarHBondContact O-N 3.06Å; P1799-I1801 VanDerWaalsContact C-N 3.33Å; P1799-I1801 PolarHBondContact O-N 3.31Å; I1801-L1803 VanDerWaalsContact C-N 3.3Å; I1801-L1803 PolarHBondContact O-N 3.26Å; I1801-T1804 PolarHBondContact O-N 3.16Å; I1801-T1804 PolarHBondContact O-OG1 3.09Å; I1801-K1805 HydrophobicContact CG2-CB 4.41Å; I1801-K1805 HydrophobicContact CG2-CD 4.03Å; I1801-K1805 HydrophobicContact CG2-CG 3.98Å; I1801-K1805 VanDerWaalsContact O-CB 3.25Å; I1801-K1805 WeakPolarHBondContact O-CB 3.35Å; I1801-K1805 VanDerWaalsContact O-CG 3.31Å; I1801-K1805 WeakPolarHBondContact O-CG 3.33Å; I1801-K1805 PolarHBondContact O-N 3.17Å |
| 1802 | V | 80.5 | Confident | 79.8 | Confident | 4.2 Ų | 4.2 | 32.8 Ų | 32.8 | 3% | 0.025 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -58 | -46.1 | 174.8 | 175.9 | 0 | 0 | 0 | 0 | 110.4 | L1733 I1757 L1760 A1797 Y1798 P1799 T1804 W1806 I1807 F1837 | L1733-V1802 HydrophobicContact CD1-CG2 4.18Å; I1757-V1802 HydrophobicContact CD1-CG2 3.96Å; I1757-V1802 HydrophobicContact CG1-CG2 4.47Å; I1757-V1802 HydrophobicContact CG2-CG1 4.38Å; I1757-V1802 HydrophobicContact CG2-CG2 4.38Å; L1760-V1802 HydrophobicContact CD1-CG1 4.11Å; A1797-V1802 HydrophobicContact CB-CG2 3.9Å; Y1798-V1802 PolarHBondContact O-N 3.03Å; P1799-V1802 PolarHBondContact O-N 3.33Å; V1802-T1804 PolarHBondContact O-N 3.39Å; V1802-W1806 HydrophobicContact CG1-CD2 4.48Å; V1802-W1806 HydrophobicContact CG1-CE3 3.91Å; V1802-W1806 HydrophobicContact CG1-CZ3 4.5Å; V1802-W1806 HydrophobicContact CG2-CE3 4.39Å; V1802-W1806 HydrophobicContact CG2-CZ3 4.48Å; V1802-W1806 WeakPolarHBondContact O-CA 3.31Å; V1802-W1806 VanDerWaalsContact O-CB 3.3Å; V1802-W1806 WeakPolarHBondContact O-CB 3.33Å; V1802-W1806 PolarHBondContact O-N 3.21Å; V1802-I1807 HydrophobicContact CG1-CD1 4.21Å; V1802-I1807 HydrophobicContact CG1-CG1 4.45Å; V1802-I1807 PolarHBondContact O-N 3Å; V1802-I1807 VanDerWaalsContact O-N 3.14Å; V1802-F1837 HydrophobicContact CB-CE1 4.24Å; V1802-F1837 HydrophobicContact CB-CE2 4.18Å; V1802-F1837 HydrophobicContact CB-CZ 3.7Å; V1802-F1837 VanDerWaalsContact CB-CZ 3.47Å; V1802-F1837 HydrophobicContact CG1-CD2 4.44Å; V1802-F1837 HydrophobicContact CG1-CE1 4.04Å; V1802-F1837 HydrophobicContact CG1-CE2 3.79Å; V1802-F1837 HydrophobicContact CG1-CZ 3.61Å; V1802-F1837 VanDerWaalsContact CG1-CZ 3.45Å; V1802-F1837 HydrophobicContact CG2-CE2 4.43Å; V1802-F1837 HydrophobicContact CG2-CZ 4.3Å |
| 1803 | L | 80.5 | Confident | 79.3 | Confident | 1.4 Ų | 1.4 | 34.6 Ų | 34.6 | 1% | 0.007 | 18% | 0.178 | C | C | . | . | I | π-helix | trans | -62.6 | -47.9 | 178.4 | -170.5 | 82.9 | 0 | 0 | 0 | 112.1 | P1799 S1800 I1801 I1807 I1808 F1837 Y1838 L1843 I1853 F1856 | P1799-L1803 VanDerWaalsContact O-CB 3.28Å; P1799-L1803 WeakPolarHBondContact O-CB 3.39Å; P1799-L1803 PolarHBondContact O-N 3.13Å; S1800-L1803 PolarHBondContact O-N 3.16Å; I1801-L1803 VanDerWaalsContact C-N 3.3Å; I1801-L1803 PolarHBondContact O-N 3.26Å; L1803-I1807 HydrophobicContact CB-CD1 4.49Å; L1803-I1807 HydrophobicContact CD1-CB 4.29Å; L1803-I1807 HydrophobicContact CD1-CD1 4.16Å; L1803-I1807 HydrophobicContact CD1-CG2 4.32Å; L1803-I1807 HydrophobicContact CG-CD1 4.5Å; L1803-I1807 PolarHBondContact O-N 3.03Å; L1803-I1808 HydrophobicContact CD1-CD1 4.34Å; L1803-I1808 HydrophobicContact CD1-CG1 4.17Å; L1803-I1808 HydrophobicContact CD2-CD1 3.98Å; L1803-I1808 VanDerWaalsContact CD2-CD1 3.44Å; L1803-I1808 HydrophobicContact CD2-CG1 3.8Å; L1803-I1808 HydrophobicContact CG-CD1 4.05Å; L1803-I1808 HydrophobicContact CG-CG1 4.2Å; L1803-I1808 WeakPolarHBondContact O-CB 3.38Å; L1803-I1808 WeakPolarHBondContact O-CG1 3.4Å; L1803-I1808 PolarHBondContact O-N 3.27Å; L1803-I1808 VanDerWaalsContact O-N 3.08Å; L1803-F1837 HydrophobicContact CB-CE1 4.36Å; L1803-Y1838 HydrophobicContact CD1-CD2 4.28Å; L1803-Y1838 HydrophobicContact CD2-CD2 4.21Å; L1803-Y1838 HydrophobicContact CD2-CE2 4.28Å; L1803-L1843 HydrophobicContact CD1-CD1 4.09Å; L1803-L1843 HydrophobicContact CD2-CD1 3.87Å; L1803-I1853 HydrophobicContact CD2-CD1 4.18Å; L1803-I1853 HydrophobicContact CD2-CG1 4.13Å; L1803-F1856 HydrophobicContact CD1-CD2 3.84Å; L1803-F1856 HydrophobicContact CD1-CE2 3.92Å; L1803-F1856 HydrophobicContact CD1-CG 4.3Å; L1803-F1856 HydrophobicContact CD1-CZ 4.36Å |
| 1804 | T | 78.1 | Confident | 78.7 | Confident | 48.6 Ų | 48.6 | 36 Ų | 36 | 30% | 0.298 | 18% | 0.178 | S | C | . | . | I | π-helix | trans | -80.5 | -30 | -173.5 | 54.4 | 0 | 0 | 0 | 0 | 114.6 | S1800 I1801 V1802 P1809 | S1800-T1804 WeakPolarHBondContact O-CB 3.4Å; S1800-T1804 VanDerWaalsContact O-CG2 3.28Å; S1800-T1804 WeakPolarHBondContact O-CG2 3.39Å; S1800-T1804 PolarHBondContact O-N 3.18Å; S1800-T1804 PolarHBondContact O-OG1 2.94Å; I1801-T1804 PolarHBondContact O-N 3.16Å; I1801-T1804 PolarHBondContact O-OG1 3.09Å; V1802-T1804 PolarHBondContact O-N 3.39Å; T1804-P1809 VanDerWaalsContact O-CD 3.26Å; T1804-P1809 WeakPolarHBondContact O-CD 3.34Å; T1804-P1809 VanDerWaalsContact O-CG 3.26Å; T1804-P1809 WeakPolarHBondContact O-CG 3.39Å |
| 1805 | K | 76.6 | Confident | 77.9 | Confident | 104 Ų | 104 | 37.4 Ų | 37.4 | 45% | 0.452 | 18% | 0.184 | S | C | . | . | I | π-helix | trans | -99.7 | -25.3 | -176.2 | -62.8 | -75.5 | -174.5 | -179.9 | 0 | 114 | V1731 I1801 P1809 | V1731-K1805 HydrophobicContact CG2-CB 4.06Å; I1801-K1805 HydrophobicContact CG2-CB 4.41Å; I1801-K1805 HydrophobicContact CG2-CD 4.03Å; I1801-K1805 HydrophobicContact CG2-CG 3.98Å; I1801-K1805 VanDerWaalsContact O-CB 3.25Å; I1801-K1805 WeakPolarHBondContact O-CB 3.35Å; I1801-K1805 VanDerWaalsContact O-CG 3.31Å; I1801-K1805 WeakPolarHBondContact O-CG 3.33Å; I1801-K1805 PolarHBondContact O-N 3.17Å; K1805-P1809 WeakPolarHBondContact O-CG 3.43Å |
| 1806 | W | 78.4 | Confident | 76.8 | Confident | 16.4 Ų | 16.4 | 38.2 Ų | 38.2 | 6% | 0.062 | 20% | 0.196 | C | C | . | . | I | π-helix | trans | -112.1 | -55.4 | -177.9 | -70.1 | 6.3 | 0 | 0 | 0 | 112.3 | V1731 L1733 L1734 P1735 I1757 L1760 G1761 P1762 I1763 V1802 P1809 Y1810 | V1731-W1806 PolarHBondContact O-NE1 3.29Å; L1733-W1806 HydrophobicContact CB-CH2 4.27Å; L1733-W1806 HydrophobicContact CB-CZ2 3.81Å; L1733-W1806 HydrophobicContact CD1-CD2 4.01Å; L1733-W1806 VanDerWaalsContact CD1-CE2 3.46Å; L1733-W1806 HydrophobicContact CD1-CE3 4.33Å; L1733-W1806 HydrophobicContact CD1-CH2 4.04Å; L1733-W1806 HydrophobicContact CD1-CZ2 3.42Å; L1733-W1806 VanDerWaalsContact CD1-CZ2 3.46Å; L1733-W1806 HydrophobicContact CD1-CZ3 4.3Å; L1733-W1806 HydrophobicContact CG-CH2 4.34Å; L1733-W1806 HydrophobicContact CG-CZ2 3.46Å; L1733-W1806 VanDerWaalsContact CG-CZ2 3.47Å; L1734-W1806 HydrophobicContact CB-CH2 3.57Å; L1734-W1806 HydrophobicContact CB-CZ2 3.17Å; L1734-W1806 HydrophobicContact CB-CZ3 4.37Å; L1734-W1806 HydrophobicContact CD1-CD2 4.41Å; L1734-W1806 HydrophobicContact CD1-CZ2 4.13Å; L1734-W1806 HydrophobicContact CD2-CD2 3.82Å; L1734-W1806 HydrophobicContact CD2-CE3 3.7Å; L1734-W1806 HydrophobicContact CD2-CH2 3.73Å; L1734-W1806 HydrophobicContact CD2-CZ2 3.77Å; L1734-W1806 HydrophobicContact CD2-CZ3 3.61Å; L1734-W1806 HydrophobicContact CG-CD2 4.5Å; L1734-W1806 HydrophobicContact CG-CH2 4.16Å; L1734-W1806 HydrophobicContact CG-CZ2 3.82Å; P1735-W1806 HydrophobicContact CB-CH2 4.19Å; P1735-W1806 HydrophobicContact CG-CH2 3.48Å; P1735-W1806 VanDerWaalsContact CG-CH2 3.48Å; P1735-W1806 HydrophobicContact CG-CZ3 3.84Å; P1735-W1806 WeakPolarHBondContact O-CH2 3.18Å; P1735-W1806 WeakPolarHBondContact O-CZ2 3.28Å; I1757-W1806 HydrophobicContact CB-CZ3 4.25Å; I1757-W1806 HydrophobicContact CG2-CE3 4.44Å; I1757-W1806 HydrophobicContact CG2-CH2 3.8Å; I1757-W1806 HydrophobicContact CG2-CZ3 3.43Å; I1757-W1806 WeakPolarHBondContact O-CZ3 3.38Å; L1760-W1806 HydrophobicContact CB-CE3 3.98Å; L1760-W1806 HydrophobicContact CB-CZ3 4.32Å; G1761-W1806 VanDerWaalsContact C-CH2 3.45Å; G1761-W1806 VanDerWaalsContact C-CZ3 3.49Å; G1761-W1806 VanDerWaalsContact N-CZ3 3.32Å; G1761-W1806 WeakPolarHBondContact O-CH2 3.37Å; P1762-W1806 HydrophobicContact CG-CZ2 4.46Å; P1762-W1806 VanDerWaalsContact O-CZ2 3.32Å; P1762-W1806 WeakPolarHBondContact O-CZ2 3.41Å; I1763-W1806 HydrophobicContact CB-CH2 4.15Å; V1802-W1806 HydrophobicContact CG1-CD2 4.48Å; V1802-W1806 HydrophobicContact CG1-CE3 3.91Å; V1802-W1806 HydrophobicContact CG1-CZ3 4.5Å; V1802-W1806 HydrophobicContact CG2-CE3 4.39Å; V1802-W1806 HydrophobicContact CG2-CZ3 4.48Å; V1802-W1806 WeakPolarHBondContact O-CA 3.31Å; V1802-W1806 VanDerWaalsContact O-CB 3.3Å; V1802-W1806 WeakPolarHBondContact O-CB 3.33Å; V1802-W1806 PolarHBondContact O-N 3.21Å; W1806-P1809 WeakPolarHBondContact O-CD 3.42Å; W1806-Y1810 VanDerWaalsContact O-CB 3.26Å; W1806-Y1810 WeakPolarHBondContact O-CB 3.43Å; W1806-Y1810 PolarHBondContact O-N 3.36Å |
| 1807 | I | 82 | Confident | 75.6 | Confident | 2.4 Ų | 2.4 | 40.7 Ų | 40.7 | 1% | 0.012 | 21% | 0.21 | C | C | . | . | I | π-helix | trans | -75.6 | -57 | -168.3 | -57.4 | 177.1 | 0 | 0 | 0 | 111.4 | L1760 V1802 L1803 Y1810 L1811 W1830 V1834 F1837 F1856 | L1760-I1807 HydrophobicContact CD1-CD1 4.18Å; V1802-I1807 HydrophobicContact CG1-CD1 4.21Å; V1802-I1807 HydrophobicContact CG1-CG1 4.45Å; V1802-I1807 PolarHBondContact O-N 3Å; V1802-I1807 VanDerWaalsContact O-N 3.14Å; L1803-I1807 HydrophobicContact CB-CD1 4.49Å; L1803-I1807 HydrophobicContact CD1-CB 4.29Å; L1803-I1807 HydrophobicContact CD1-CD1 4.16Å; L1803-I1807 HydrophobicContact CD1-CG2 4.32Å; L1803-I1807 HydrophobicContact CG-CD1 4.5Å; L1803-I1807 PolarHBondContact O-N 3.03Å; I1807-Y1810 WeakPolarHBondContact O-CB 3.42Å; I1807-Y1810 PolarHBondContact O-N 3.06Å; I1807-L1811 HydrophobicContact CG2-CD1 3.86Å; I1807-L1811 HydrophobicContact CG2-CG 4.36Å; I1807-L1811 WeakPolarHBondContact O-CB 3.48Å; I1807-L1811 VanDerWaalsContact O-CG 3.26Å; I1807-L1811 WeakPolarHBondContact O-CG 3.39Å; I1807-L1811 PolarHBondContact O-N 3.18Å; I1807-W1830 HydrophobicContact CG2-CH2 4.33Å; I1807-V1834 HydrophobicContact CD1-CG1 4.41Å; I1807-V1834 HydrophobicContact CD1-CG2 4.4Å; I1807-V1834 HydrophobicContact CG1-CG2 4.33Å; I1807-V1834 HydrophobicContact CG2-CB 4.47Å; I1807-V1834 HydrophobicContact CG2-CG1 3.55Å; I1807-V1834 VanDerWaalsContact CG2-CG1 3.48Å; I1807-V1834 HydrophobicContact CG2-CG2 4.07Å; I1807-F1837 HydrophobicContact CD1-CD1 3.64Å; I1807-F1837 HydrophobicContact CD1-CE1 3.87Å; I1807-F1837 HydrophobicContact CD1-CG 4.3Å; I1807-F1856 HydrophobicContact CG2-CD2 4.31Å; I1807-F1856 HydrophobicContact CG2-CE2 3.66Å; I1807-F1856 HydrophobicContact CG2-CZ 4.46Å |
| 1808 | I | 81.3 | Confident | 74.1 | Confident | 11.4 Ų | 11.4 | 47.2 Ų | 47.2 | 6% | 0.058 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -60.1 | -48.1 | -176.6 | -69.6 | 173.4 | 0 | 0 | 0 | 112.3 | L1803 Y1810 L1811 K1812 S1852 F1856 I1859 | L1803-I1808 HydrophobicContact CD1-CD1 4.34Å; L1803-I1808 HydrophobicContact CD1-CG1 4.17Å; L1803-I1808 HydrophobicContact CD2-CD1 3.98Å; L1803-I1808 VanDerWaalsContact CD2-CD1 3.44Å; L1803-I1808 HydrophobicContact CD2-CG1 3.8Å; L1803-I1808 HydrophobicContact CG-CD1 4.05Å; L1803-I1808 HydrophobicContact CG-CG1 4.2Å; L1803-I1808 WeakPolarHBondContact O-CB 3.38Å; L1803-I1808 WeakPolarHBondContact O-CG1 3.4Å; L1803-I1808 PolarHBondContact O-N 3.27Å; L1803-I1808 VanDerWaalsContact O-N 3.08Å; I1808-Y1810 VanDerWaalsContact C-N 3.33Å; I1808-Y1810 PolarHBondContact O-N 3.05Å; I1808-L1811 PolarHBondContact O-N 3.21Å; I1808-K1812 HydrophobicContact CG2-CD 4.09Å; I1808-K1812 HydrophobicContact CG2-CG 4.34Å; I1808-K1812 WeakPolarHBondContact O-CB 3.28Å; I1808-K1812 WeakPolarHBondContact O-CG 3.41Å; I1808-K1812 PolarHBondContact O-N 3.27Å; I1808-S1852 VanDerWaalsContact CD1-O 3.27Å; I1808-S1852 WeakPolarHBondContact CD1-O 3.4Å; I1808-F1856 HydrophobicContact CD1-CB 4.15Å; I1808-F1856 HydrophobicContact CG1-CB 4.16Å; I1808-F1856 HydrophobicContact CG1-CD2 4.27Å; I1808-I1859 HydrophobicContact CB-CD1 4.43Å; I1808-I1859 HydrophobicContact CG1-CD1 4.16Å; I1808-I1859 HydrophobicContact CG2-CD1 4.34Å |
| 1809 | P | 77 | Confident | 72.8 | Confident | 55 Ų | 55 | 51.2 Ų | 51.2 | 36% | 0.357 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -60.3 | -37.7 | 178.7 | -26 | 36.6 | 0 | 0 | 0 | 113 | T1804 K1805 W1806 K1812 L1813 | T1804-P1809 VanDerWaalsContact O-CD 3.26Å; T1804-P1809 WeakPolarHBondContact O-CD 3.34Å; T1804-P1809 VanDerWaalsContact O-CG 3.26Å; T1804-P1809 WeakPolarHBondContact O-CG 3.39Å; K1805-P1809 WeakPolarHBondContact O-CG 3.43Å; W1806-P1809 WeakPolarHBondContact O-CD 3.42Å; P1809-K1812 PolarHBondContact O-N 3.07Å; P1809-L1813 WeakPolarHBondContact O-CB 3.47Å; P1809-L1813 PolarHBondContact O-N 3.35Å; P1809-L1813 VanDerWaalsContact O-N 3.15Å |
| 1810 | Y | 75.8 | Confident | 71.5 | Confident | 13.6 Ų | 13.6 | 53.5 Ų | 53.5 | 5% | 0.053 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -66.4 | -46 | 176.7 | -176.4 | -86.9 | 0 | 0 | 0 | 111.8 | H1722 W1724 S1725 I1728 I1754 I1757 W1806 I1807 I1808 K1812 L1813 K1814 W1830 | H1722-Y1810 AromaticContact CE1-CD2 3.65Å; H1722-Y1810 AromaticContact CE1-CE2 3.5Å; H1722-Y1810 VanDerWaalsContact CE1-CE2 3.42Å; H1722-Y1810 WeakPolarHBondContact CE1-CE2 3.47Å; H1722-Y1810 AromaticContact ND1-CD2 3.8Å; H1722-Y1810 AromaticContact ND1-CE2 3.4Å; H1722-Y1810 VanDerWaalsContact ND1-CE2 3.3Å; H1722-Y1810 WeakPolarHBondContact ND1-CE2 3.42Å; H1722-Y1810 AromaticContact NE2-CD2 3.91Å; W1724-Y1810 HydrophobicContact CH2-CD1 4.14Å; W1724-Y1810 AromaticContact CH2-CE1 3Å; W1724-Y1810 HydrophobicContact CH2-CE1 3Å; W1724-Y1810 HydrophobicContact CH2-CE2 4.44Å; W1724-Y1810 AromaticContact CH2-CZ 3.21Å; W1724-Y1810 WeakPolarHBondContact CH2-OH 3.37Å; W1724-Y1810 HydrophobicContact CZ2-CD1 4.08Å; W1724-Y1810 AromaticContact CZ2-CE1 3.27Å; W1724-Y1810 HydrophobicContact CZ2-CE1 3.27Å; W1724-Y1810 HydrophobicContact CZ2-CE2 4.36Å; W1724-Y1810 AromaticContact CZ2-CZ 3.45Å; W1724-Y1810 VanDerWaalsContact CZ2-CZ 3.45Å; W1724-Y1810 AromaticContact CZ3-CE1 3.79Å; W1724-Y1810 HydrophobicContact CZ3-CE1 3.79Å; W1724-Y1810 AromaticContact CZ3-CZ 3.54Å; W1724-Y1810 WeakPolarHBondContact CZ3-OH 3.46Å; S1725-Y1810 WeakPolarHBondContact CB-OH 3.34Å; I1728-Y1810 HydrophobicContact CD1-CD2 3.39Å; I1728-Y1810 HydrophobicContact CD1-CE2 3.82Å; I1728-Y1810 HydrophobicContact CD1-CG 4.19Å; I1728-Y1810 HydrophobicContact CG1-CD2 4.44Å; I1754-Y1810 HydrophobicContact CB-CE2 4.48Å; I1754-Y1810 HydrophobicContact CG1-CE2 4.06Å; I1754-Y1810 HydrophobicContact CG2-CE2 4.07Å; I1757-Y1810 HydrophobicContact CD1-CD2 4.46Å; W1806-Y1810 VanDerWaalsContact O-CB 3.26Å; W1806-Y1810 WeakPolarHBondContact O-CB 3.43Å; W1806-Y1810 PolarHBondContact O-N 3.36Å; I1807-Y1810 WeakPolarHBondContact O-CB 3.42Å; I1807-Y1810 PolarHBondContact O-N 3.06Å; I1808-Y1810 VanDerWaalsContact C-N 3.33Å; I1808-Y1810 PolarHBondContact O-N 3.05Å; Y1810-K1812 VanDerWaalsContact C-N 3.3Å; Y1810-K1812 PolarHBondContact O-N 2.96Å; Y1810-L1813 PolarHBondContact O-N 3.24Å; Y1810-L1813 VanDerWaalsContact O-N 3.14Å; Y1810-K1814 HydrophobicContact CD1-CG 4.12Å; Y1810-K1814 HydrophobicContact CE1-CD 4.41Å; Y1810-K1814 HydrophobicContact CE1-CG 3.76Å; Y1810-K1814 HydrophobicContact CE2-CG 4.45Å; Y1810-K1814 PolarHBondContact O-N 3.27Å; Y1810-K1814 WeakPolarHBondContact OH-CE 3.4Å; Y1810-W1830 HydrophobicContact CD1-CE3 4.33Å; Y1810-W1830 AromaticContact CD1-CH2 3.33Å; Y1810-W1830 HydrophobicContact CD1-CH2 3.33Å; Y1810-W1830 VanDerWaalsContact CD1-CH2 3.4Å; Y1810-W1830 AromaticContact CD1-CZ2 3.81Å; Y1810-W1830 HydrophobicContact CD1-CZ2 3.94Å; Y1810-W1830 AromaticContact CD1-CZ3 3.54Å; Y1810-W1830 HydrophobicContact CD1-CZ3 3.67Å; Y1810-W1830 AromaticContact CE1-CE3 3.92Å; Y1810-W1830 HydrophobicContact CE1-CE3 4.16Å; Y1810-W1830 AromaticContact CE1-CH2 3.76Å; Y1810-W1830 HydrophobicContact CE1-CH2 3.95Å; Y1810-W1830 AromaticContact CE1-CZ2 3.89Å; Y1810-W1830 HydrophobicContact CE1-CZ2 4Å; Y1810-W1830 AromaticContact CE1-CZ3 3.7Å; Y1810-W1830 HydrophobicContact CE1-CZ3 3.9Å; Y1810-W1830 AromaticContact CG-CH2 3.84Å; Y1810-W1830 HydrophobicContact CG-CH2 3.84Å; Y1810-W1830 HydrophobicContact CG-CZ2 4.19Å; Y1810-W1830 HydrophobicContact CG-CZ3 4.4Å |
| 1811 | L | 79.8 | Confident | 70 | Confident | 3.8 Ų | 3.8 | 60 Ų | 60 | 2% | 0.02 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -59.6 | -42.2 | 176 | -69.3 | 175.9 | 0 | 0 | 0 | 111.2 | I1807 I1808 L1813 K1814 Q1815 W1830 Y1831 F1856 I1859 L1860 | I1807-L1811 HydrophobicContact CG2-CD1 3.86Å; I1807-L1811 HydrophobicContact CG2-CG 4.36Å; I1807-L1811 WeakPolarHBondContact O-CB 3.48Å; I1807-L1811 VanDerWaalsContact O-CG 3.26Å; I1807-L1811 WeakPolarHBondContact O-CG 3.39Å; I1807-L1811 PolarHBondContact O-N 3.18Å; I1808-L1811 PolarHBondContact O-N 3.21Å; L1811-L1813 VanDerWaalsContact C-N 3.3Å; L1811-L1813 PolarHBondContact O-N 3.22Å; L1811-K1814 PolarHBondContact O-N 3.07Å; L1811-Q1815 VanDerWaalsContact O-CB 3.29Å; L1811-Q1815 WeakPolarHBondContact O-CB 3.32Å; L1811-Q1815 VanDerWaalsContact O-CG 3.22Å; L1811-Q1815 WeakPolarHBondContact O-CG 3.24Å; L1811-Q1815 PolarHBondContact O-N 3.14Å; L1811-Q1815 PolarHBondContact O-NE2 3.18Å; L1811-W1830 HydrophobicContact CD2-CH2 4.34Å; L1811-W1830 HydrophobicContact CD2-CZ3 3.94Å; L1811-W1830 HydrophobicContact CG-CH2 4.4Å; L1811-W1830 HydrophobicContact CG-CZ3 4.45Å; L1811-Y1831 HydrophobicContact CD2-CD1 4.32Å; L1811-Y1831 HydrophobicContact CD2-CE1 3.88Å; L1811-F1856 HydrophobicContact CD1-CD2 4.01Å; L1811-F1856 HydrophobicContact CD1-CE2 3.74Å; L1811-I1859 HydrophobicContact CB-CB 4.41Å; L1811-I1859 HydrophobicContact CB-CD1 3.85Å; L1811-I1859 HydrophobicContact CB-CG1 4.25Å; L1811-I1859 HydrophobicContact CB-CG2 3.64Å; L1811-I1859 HydrophobicContact CD1-CD1 3.92Å; L1811-I1859 HydrophobicContact CD1-CG1 3.92Å; L1811-I1859 HydrophobicContact CD1-CG2 3.98Å; L1811-I1859 HydrophobicContact CG-CD1 4.37Å; L1811-I1859 HydrophobicContact CG-CG2 4.38Å; L1811-L1860 HydrophobicContact CD1-CB 4.38Å; L1811-L1860 HydrophobicContact CD1-CD1 4.14Å; L1811-L1860 HydrophobicContact CD2-CD1 4.16Å |
| 1812 | K | 76 | Confident | 68.9 | Low | 90.4 Ų | 90.4 | 66.9 Ų | 66.9 | 39% | 0.393 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -66.1 | -31.2 | 176.3 | -71.7 | -173.7 | 177.9 | -170.8 | 0 | 113.9 | I1808 P1809 Y1810 Q1815 S1816 E1855 I1859 | I1808-K1812 HydrophobicContact CG2-CD 4.09Å; I1808-K1812 HydrophobicContact CG2-CG 4.34Å; I1808-K1812 WeakPolarHBondContact O-CB 3.28Å; I1808-K1812 WeakPolarHBondContact O-CG 3.41Å; I1808-K1812 PolarHBondContact O-N 3.27Å; P1809-K1812 PolarHBondContact O-N 3.07Å; Y1810-K1812 VanDerWaalsContact C-N 3.3Å; Y1810-K1812 PolarHBondContact O-N 2.96Å; K1812-Q1815 VanDerWaalsContact CA-CD 3.44Å; K1812-Q1815 VanDerWaalsContact O-CB 3.29Å; K1812-Q1815 WeakPolarHBondContact O-CB 3.33Å; K1812-Q1815 WeakPolarHBondContact O-CG 3.08Å; K1812-Q1815 PolarHBondContact O-N 3Å; K1812-S1816 PolarHBondContact O-N 3.2Å; K1812-E1855 WeakPolarHBondContact CE-OE1 3.39Å; K1812-E1855 VanDerWaalsContact CE-OE2 3.26Å; K1812-E1855 WeakPolarHBondContact CE-OE2 3.37Å; K1812-E1855 IonicContact NZ-OE1 3.3Å; K1812-E1855 PolarHBondContact NZ-OE1 3.13Å; K1812-E1855 IonicContact NZ-OE2 3.24Å; K1812-E1855 PolarHBondContact NZ-OE2 3.19Å; K1812-I1859 HydrophobicContact CG-CD1 4.25Å |
| 1813 | L | 71.4 | Confident | 67.9 | Low | 64.6 Ų | 64.6 | 68.8 Ų | 68.8 | 34% | 0.338 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -75.7 | -42.4 | 175.1 | -171.2 | 98.7 | 0 | 0 | 0 | 112.1 | D1727 I1728 Y1750 P1809 Y1810 L1811 Q1815 S1816 | D1727-L1813 HydrophobicContact CB-CD2 4.12Å; I1728-L1813 HydrophobicContact CD1-CB 3.96Å; I1728-L1813 HydrophobicContact CD1-CD1 4.36Å; I1728-L1813 HydrophobicContact CD1-CD2 3.71Å; I1728-L1813 VanDerWaalsContact CD1-CD2 3.41Å; I1728-L1813 HydrophobicContact CD1-CG 4.34Å; I1728-L1813 HydrophobicContact CG1-CD1 4.14Å; I1728-L1813 HydrophobicContact CG1-CD2 3.44Å; I1728-L1813 VanDerWaalsContact CG1-CD2 3.44Å; Y1750-L1813 HydrophobicContact CE1-CD1 4.06Å; Y1750-L1813 HydrophobicContact CE1-CD2 3.55Å; Y1750-L1813 HydrophobicContact CE1-CG 4.39Å; Y1750-L1813 WeakPolarHBondContact OH-CD1 3.06Å; Y1750-L1813 WeakPolarHBondContact OH-CD2 3.19Å; Y1750-L1813 WeakPolarHBondContact OH-CG 3.39Å; P1809-L1813 WeakPolarHBondContact O-CB 3.47Å; P1809-L1813 PolarHBondContact O-N 3.35Å; P1809-L1813 VanDerWaalsContact O-N 3.15Å; Y1810-L1813 PolarHBondContact O-N 3.24Å; Y1810-L1813 VanDerWaalsContact O-N 3.14Å; L1811-L1813 VanDerWaalsContact C-N 3.3Å; L1811-L1813 PolarHBondContact O-N 3.22Å; L1813-Q1815 VanDerWaalsContact C-N 3.31Å; L1813-Q1815 PolarHBondContact O-N 3.08Å; L1813-Q1815 VanDerWaalsContact O-N 3.17Å; L1813-S1816 PolarHBondContact O-N 3.14Å; L1813-S1816 PolarHBondContact O-OG 3.02Å |
| 1814 | K | 68 | Low | 67.4 | Low | 51.8 Ų | 51.8 | 71 Ų | 71 | 23% | 0.225 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -62 | -28.1 | 176.2 | -99.5 | -73.3 | -173.2 | 177.8 | 0 | 112.1 | Y1810 L1811 S1816 N1817 | Y1810-K1814 HydrophobicContact CD1-CG 4.12Å; Y1810-K1814 HydrophobicContact CE1-CD 4.41Å; Y1810-K1814 HydrophobicContact CE1-CG 3.76Å; Y1810-K1814 HydrophobicContact CE2-CG 4.45Å; Y1810-K1814 PolarHBondContact O-N 3.27Å; Y1810-K1814 WeakPolarHBondContact OH-CE 3.4Å; L1811-K1814 PolarHBondContact O-N 3.07Å; K1814-S1816 VanDerWaalsContact C-N 3.27Å; K1814-S1816 PolarHBondContact O-N 3.14Å; K1814-N1817 PolarHBondContact O-N 3.23Å; K1814-N1817 VanDerWaalsContact O-N 3.09Å |
| 1815 | Q | 64.5 | Low | 67.3 | Low | 48.4 Ų | 48.4 | 74.6 Ų | 74.6 | 23% | 0.226 | 38% | 0.377 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | -26.7 | 173.3 | -88.2 | -176.2 | -8.6 | 0 | 0 | 114.1 | L1811 K1812 L1813 N1817 I1859 C1878 Y1879 | L1811-Q1815 VanDerWaalsContact O-CB 3.29Å; L1811-Q1815 WeakPolarHBondContact O-CB 3.32Å; L1811-Q1815 VanDerWaalsContact O-CG 3.22Å; L1811-Q1815 WeakPolarHBondContact O-CG 3.24Å; L1811-Q1815 PolarHBondContact O-N 3.14Å; L1811-Q1815 PolarHBondContact O-NE2 3.18Å; K1812-Q1815 VanDerWaalsContact CA-CD 3.44Å; K1812-Q1815 VanDerWaalsContact O-CB 3.29Å; K1812-Q1815 WeakPolarHBondContact O-CB 3.33Å; K1812-Q1815 WeakPolarHBondContact O-CG 3.08Å; K1812-Q1815 PolarHBondContact O-N 3Å; L1813-Q1815 VanDerWaalsContact C-N 3.31Å; L1813-Q1815 PolarHBondContact O-N 3.08Å; L1813-Q1815 VanDerWaalsContact O-N 3.17Å; Q1815-N1817 VanDerWaalsContact C-N 3.34Å; Q1815-N1817 PolarHBondContact O-N 3.14Å; Q1815-I1859 VanDerWaalsContact NE2-CA 3.27Å; Q1815-I1859 VanDerWaalsContact NE2-CG2 3.26Å; Q1815-I1859 PolarHBondContact NE2-O 3.26Å; Q1815-C1878 PolarHBondContact NE2-SG 3.27Å; Q1815-C1878 VanDerWaalsContact NE2-SG 3.39Å; Q1815-Y1879 VanDerWaalsContact C-OH 3.31Å; Q1815-Y1879 WeakPolarHBondContact CA-OH 3.48Å; Q1815-Y1879 HydrophobicContact CB-CE1 4.13Å; Q1815-Y1879 HydrophobicContact CB-CE2 4.19Å; Q1815-Y1879 VanDerWaalsContact CB-OH 3.25Å; Q1815-Y1879 WeakPolarHBondContact CB-OH 3.28Å; Q1815-Y1879 VanDerWaalsContact CD-CZ 3.49Å; Q1815-Y1879 HydrophobicContact CG-CE1 4.2Å; Q1815-Y1879 HydrophobicContact CG-CE2 3.81Å; Q1815-Y1879 WeakPolarHBondContact CG-OH 3.34Å; Q1815-Y1879 PolarHBondContact NE2-OH 2.85Å; Q1815-Y1879 PolarHBondContact O-OH 3.26Å; Q1815-Y1879 PolarHBondContact OE1-OH 2.99Å |
| 1816 | S | 57.9 | Low | 67.3 | Low | 80.4 Ų | 80.4 | 74.7 Ų | 74.7 | 56% | 0.562 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.2 | -9.6 | 178.6 | 60.4 | 0 | 0 | 0 | 0 | 114.3 | K1812 L1813 K1814 | K1812-S1816 PolarHBondContact O-N 3.2Å; L1813-S1816 PolarHBondContact O-N 3.14Å; L1813-S1816 PolarHBondContact O-OG 3.02Å; K1814-S1816 VanDerWaalsContact C-N 3.27Å; K1814-S1816 PolarHBondContact O-N 3.14Å |
| 1817 | N | 56 | Low | 67.2 | Low | 92.6 Ų | 92.6 | 75.4 Ų | 75.4 | 50% | 0.495 | 39% | 0.386 | S | S | . | . | trans | -110.4 | 93.6 | -176 | -72 | -15.8 | 0 | 0 | 0 | 110.4 | K1814 Q1815 H1819 | K1814-N1817 PolarHBondContact O-N 3.23Å; K1814-N1817 VanDerWaalsContact O-N 3.09Å; Q1815-N1817 VanDerWaalsContact C-N 3.34Å; Q1815-N1817 PolarHBondContact O-N 3.14Å; N1817-H1819 PolarHBondContact O-N 3.12Å | ||
| 1818 | D | 52 | Low | 67.2 | Low | 140 Ų | 140 | 76.2 Ų | 76.2 | 75% | 0.749 | 39% | 0.39 | S | S | * | . | trans | -63.3 | 12.7 | -172.6 | -84.1 | -27.5 | 0 | 0 | 0 | 117 | F1820 | D1818-F1820 PolarHBondContact O-N 3.07Š| ||
| 1819 | H | 53.1 | Low | 67.2 | Low | 167 Ų | 167 | 79.1 Ų | 79.1 | 77% | 0.773 | 41% | 0.405 | S | S | * | . | trans | -104.9 | 86.4 | 179.8 | -90.4 | 44.1 | 0 | 0 | 0 | 112.2 | N1817 M1821 | N1817-H1819 PolarHBondContact O-N 3.12Å; H1819-M1821 VanDerWaalsContact C-N 3.32Å; H1819-M1821 HydrophobicContact CB-CG 4.39Å; H1819-M1821 WeakPolarHBondContact CD2-CG 3.39Å; H1819-M1821 PolarHBondContact O-N 3.11Å; H1819-M1821 VanDerWaalsContact O-N 3.15Å | ||
| 1820 | F | 54.4 | Low | 67.5 | Low | 56.8 Ų | 56.8 | 77.2 Ų | 77.2 | 25% | 0.249 | 39% | 0.391 | C | S | . | . | trans | -84.7 | 10.8 | 169.8 | -78.5 | -86.1 | 0 | 0 | 0 | 113.5 | D1818 E1822 V1823 P1861 I1873 P1875 Y1879 | D1818-F1820 PolarHBondContact O-N 3.07Å; F1820-E1822 PolarHBondContact O-N 3.14Å; F1820-V1823 WeakPolarHBondContact O-CG2 3.4Å; F1820-P1861 HydrophobicContact CE1-CB 4.38Å; F1820-P1861 HydrophobicContact CE1-CG 4.09Å; F1820-P1861 HydrophobicContact CZ-CG 4.19Å; F1820-I1873 HydrophobicContact CD1-CG2 4.13Å; F1820-I1873 HydrophobicContact CE1-CG2 4.32Å; F1820-P1875 HydrophobicContact CE2-CB 4.37Å; F1820-P1875 HydrophobicContact CZ-CB 4.31Å; F1820-Y1879 HydrophobicContact CE2-CD2 4.44Å; F1820-Y1879 AromaticContact CE2-CE2 3.61Å; F1820-Y1879 HydrophobicContact CE2-CE2 3.61Å; F1820-Y1879 AromaticContact CE2-CZ 3.74Å; F1820-Y1879 WeakPolarHBondContact CE2-OH 3.44Å; F1820-Y1879 AromaticContact CZ-CE2 3.73Å; F1820-Y1879 HydrophobicContact CZ-CE2 3.73Å | ||
| 1821 | M | 48.9 | Very low | 68 | Low | 169.4 Ų | 169.4 | 76.7 Ų | 76.7 | 83% | 0.834 | 39% | 0.389 | S | S | * | . | S | Bend | trans | -83.3 | -19.7 | -166.6 | -69 | -64.3 | -140.7 | 0 | 0 | 115.7 | H1819 | H1819-M1821 VanDerWaalsContact C-N 3.32Å; H1819-M1821 HydrophobicContact CB-CG 4.39Å; H1819-M1821 WeakPolarHBondContact CD2-CG 3.39Å; H1819-M1821 PolarHBondContact O-N 3.11Å; H1819-M1821 VanDerWaalsContact O-N 3.15Å |
| 1822 | E | 54 | Low | 68.3 | Low | 183 Ų | 183 | 76.9 Ų | 76.9 | 86% | 0.855 | 39% | 0.39 | S | S | * | . | trans | -126.5 | 89.5 | 173.7 | -73.6 | -173.1 | 162.1 | 0 | 0 | 110.3 | F1820 S1824 | F1820-E1822 PolarHBondContact O-N 3.14Å; E1822-S1824 PolarHBondContact O-N 2.83Å | ||
| 1823 | V | 60.6 | Low | 68.7 | Low | 44 Ų | 44 | 73.4 Ų | 73.4 | 27% | 0.267 | 38% | 0.376 | S | S | . | . | trans | -90.8 | 118.8 | 177.6 | -177.2 | 0 | 0 | 0 | 0 | 110.1 | F1820 Q1827 M1828 I1873 | F1820-V1823 WeakPolarHBondContact O-CG2 3.4Å; V1823-Q1827 HydrophobicContact CG1-CB 3.77Å; V1823-Q1827 VanDerWaalsContact CG1-CD 3.46Å; V1823-Q1827 HydrophobicContact CG1-CG 3.92Å; V1823-Q1827 VanDerWaalsContact CG1-CG 3.5Å; V1823-M1828 HydrophobicContact CB-CE 4.41Å; V1823-M1828 HydrophobicContact CG1-CE 3.8Å; V1823-M1828 HydrophobicContact CG1-CG 3.97Å; V1823-M1828 HydrophobicContact CG1-SD 4.35Å; V1823-I1873 HydrophobicContact CB-CD1 4.02Å; V1823-I1873 HydrophobicContact CB-CG1 4.5Å; V1823-I1873 HydrophobicContact CG1-CD1 3.23Å; V1823-I1873 HydrophobicContact CG1-CG1 3.95Å; V1823-I1873 HydrophobicContact CG2-CB 4.34Å; V1823-I1873 HydrophobicContact CG2-CD1 3.98Å; V1823-I1873 HydrophobicContact CG2-CG1 4.36Å | ||
| 1824 | S | 70.1 | Confident | 69.4 | Low | 48 Ų | 48 | 70.4 Ų | 70.4 | 34% | 0.336 | 36% | 0.361 | S | S | . | . | trans | -68.8 | 146 | 171.1 | 71.6 | 0 | 0 | 0 | 0 | 111.1 | E1822 I1826 Q1827 M1828 | E1822-S1824 PolarHBondContact O-N 2.83Å; S1824-I1826 PolarHBondContact O-N 3.32Å; S1824-I1826 VanDerWaalsContact O-N 3.12Å; S1824-Q1827 WeakPolarHBondContact O-CA 3.28Å; S1824-Q1827 VanDerWaalsContact O-CB 3.31Å; S1824-Q1827 WeakPolarHBondContact O-CB 3.22Å; S1824-Q1827 PolarHBondContact O-N 3.14Å; S1824-Q1827 VanDerWaalsContact O-N 3.09Å; S1824-Q1827 WeakPolarHBondContact OG-CG 3.18Å; S1824-Q1827 PolarHBondContact OG-N 3.11Å; S1824-Q1827 VanDerWaalsContact OG-N 3.15Å; S1824-M1828 PolarHBondContact O-N 3.08Å; S1824-M1828 VanDerWaalsContact O-N 3.14Å | ||
| 1825 | M | 76.4 | Confident | 70.3 | Confident | 123.2 Ų | 123.2 | 67.9 Ų | 67.9 | 61% | 0.607 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -53.2 | -30.3 | 172.8 | -161.6 | 137.1 | 174.5 | 0 | 0 | 112.4 | M1828 N1829 K1949 | M1825-M1828 WeakPolarHBondContact O-CB 3.3Å; M1825-M1828 PolarHBondContact O-N 3.27Å; M1825-N1829 VanDerWaalsContact O-CG 3.27Å; M1825-N1829 PolarHBondContact O-N 3.13Å; M1825-N1829 VanDerWaalsContact O-N 3.1Å; M1825-N1829 PolarHBondContact O-ND2 3.42Å; M1825-N1829 PolarHBondContact O-OD1 3.47Å; M1825-K1949 VanDerWaalsContact CE-NZ 3.29Å; M1825-K1949 PolarHBondContact SD-NZ 3.49Å |
| 1826 | I | 74.8 | Confident | 71.3 | Confident | 106.2 Ų | 106.2 | 66.8 Ų | 66.8 | 55% | 0.545 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -66.5 | -45.1 | 177.9 | -46.6 | 173.8 | 0 | 0 | 0 | 110.5 | W1724 E1758 S1824 M1828 N1829 W1830 | W1724-I1826 HydrophobicContact CB-CG2 4.02Å; W1724-I1826 HydrophobicContact CG-CG2 4.26Å; W1724-I1826 WeakPolarHBondContact CH2-O 3.42Å; W1724-I1826 HydrophobicContact CZ2-CB 3.96Å; W1724-I1826 HydrophobicContact CZ2-CG2 3.78Å; W1724-I1826 WeakPolarHBondContact CZ2-O 3.36Å; W1724-I1826 VanDerWaalsContact NE1-CB 3.25Å; E1758-I1826 HydrophobicContact CG-CG2 3.8Å; S1824-I1826 PolarHBondContact O-N 3.32Å; S1824-I1826 VanDerWaalsContact O-N 3.12Å; I1826-M1828 VanDerWaalsContact C-N 3.31Å; I1826-M1828 PolarHBondContact O-N 3.03Å; I1826-N1829 WeakPolarHBondContact O-CB 3.32Å; I1826-N1829 PolarHBondContact O-N 3.18Å; I1826-W1830 PolarHBondContact O-N 3.13Å; I1826-W1830 VanDerWaalsContact O-N 3.11Å |
| 1827 | Q | 76.8 | Confident | 72.6 | Confident | 31.2 Ų | 31.2 | 63.1 Ų | 63.1 | 15% | 0.146 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -62.3 | -40.6 | 176.2 | -113.8 | 177.3 | 5 | 0 | 0 | 112.2 | W1724 V1823 S1824 N1829 W1830 Y1831 | W1724-Q1827 HydrophobicContact CB-CG 4.26Å; W1724-Q1827 HydrophobicContact CD2-CB 3.8Å; W1724-Q1827 HydrophobicContact CD2-CG 3.94Å; W1724-Q1827 HydrophobicContact CE3-CB 4.03Å; W1724-Q1827 HydrophobicContact CE3-CG 3.73Å; W1724-Q1827 HydrophobicContact CG-CB 4.29Å; W1724-Q1827 HydrophobicContact CG-CG 3.98Å; W1724-Q1827 VanDerWaalsContact CH2-C 3.49Å; W1724-Q1827 HydrophobicContact CH2-CB 4.22Å; W1724-Q1827 VanDerWaalsContact CH2-CD 3.49Å; W1724-Q1827 HydrophobicContact CH2-CG 3.91Å; W1724-Q1827 VanDerWaalsContact CH2-NE2 3.32Å; W1724-Q1827 VanDerWaalsContact CH2-O 3.25Å; W1724-Q1827 WeakPolarHBondContact CH2-O 3.29Å; W1724-Q1827 HydrophobicContact CZ2-CB 4.25Å; W1724-Q1827 HydrophobicContact CZ2-CG 3.81Å; W1724-Q1827 HydrophobicContact CZ3-CB 4.02Å; W1724-Q1827 HydrophobicContact CZ3-CG 3.68Å; W1724-Q1827 WeakPolarHBondContact CZ3-O 3.43Å; V1823-Q1827 HydrophobicContact CG1-CB 3.77Å; V1823-Q1827 VanDerWaalsContact CG1-CD 3.46Å; V1823-Q1827 HydrophobicContact CG1-CG 3.92Å; V1823-Q1827 VanDerWaalsContact CG1-CG 3.5Å; S1824-Q1827 WeakPolarHBondContact O-CA 3.28Å; S1824-Q1827 VanDerWaalsContact O-CB 3.31Å; S1824-Q1827 WeakPolarHBondContact O-CB 3.22Å; S1824-Q1827 PolarHBondContact O-N 3.14Å; S1824-Q1827 VanDerWaalsContact O-N 3.09Å; S1824-Q1827 WeakPolarHBondContact OG-CG 3.18Å; S1824-Q1827 PolarHBondContact OG-N 3.11Å; S1824-Q1827 VanDerWaalsContact OG-N 3.15Å; Q1827-N1829 VanDerWaalsContact C-N 3.32Å; Q1827-N1829 PolarHBondContact O-N 3.32Å; Q1827-W1830 WeakPolarHBondContact O-CB 3.38Å; Q1827-W1830 PolarHBondContact O-N 2.99Å; Q1827-W1830 VanDerWaalsContact O-N 3.14Å; Q1827-Y1831 HydrophobicContact CB-CE2 4.42Å; Q1827-Y1831 HydrophobicContact CG-CD2 4.22Å; Q1827-Y1831 HydrophobicContact CG-CE2 3.6Å; Q1827-Y1831 VanDerWaalsContact NE2-CE2 3.34Å; Q1827-Y1831 PolarHBondContact NE2-OH 3.32Å; Q1827-Y1831 WeakPolarHBondContact O-CD2 3.31Å; Q1827-Y1831 PolarHBondContact O-N 3.14Å |
| 1828 | M | 81.5 | Confident | 73.9 | Confident | 20.4 Ų | 20.4 | 59.4 Ų | 59.4 | 10% | 0.1 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -58.8 | -46.5 | 173.8 | -134.7 | -178 | -94.9 | 0 | 0 | 111.8 | V1823 S1824 M1825 I1826 W1830 Y1831 I1832 V1863 N1871 I1873 | V1823-M1828 HydrophobicContact CB-CE 4.41Å; V1823-M1828 HydrophobicContact CG1-CE 3.8Å; V1823-M1828 HydrophobicContact CG1-CG 3.97Å; V1823-M1828 HydrophobicContact CG1-SD 4.35Å; S1824-M1828 PolarHBondContact O-N 3.08Å; S1824-M1828 VanDerWaalsContact O-N 3.14Å; M1825-M1828 WeakPolarHBondContact O-CB 3.3Å; M1825-M1828 PolarHBondContact O-N 3.27Å; I1826-M1828 VanDerWaalsContact C-N 3.31Å; I1826-M1828 PolarHBondContact O-N 3.03Å; M1828-W1830 VanDerWaalsContact C-N 3.26Å; M1828-W1830 PolarHBondContact O-N 3.06Å; M1828-Y1831 PolarHBondContact O-N 3.2Å; M1828-I1832 HydrophobicContact CG-CD1 4.2Å; M1828-I1832 WeakPolarHBondContact O-CD1 3.27Å; M1828-I1832 WeakPolarHBondContact O-CG1 3.36Å; M1828-I1832 PolarHBondContact O-N 3.13Å; M1828-I1832 VanDerWaalsContact O-N 3.09Å; M1828-V1863 HydrophobicContact CB-CG2 4.4Å; M1828-V1863 HydrophobicContact CE-CG1 4.18Å; M1828-V1863 HydrophobicContact CG-CB 4.23Å; M1828-V1863 HydrophobicContact CG-CG1 3.66Å; M1828-V1863 VanDerWaalsContact CG-CG1 3.46Å; M1828-V1863 HydrophobicContact CG-CG2 3.8Å; M1828-V1863 HydrophobicContact SD-CG1 3.72Å; M1828-N1871 HydrophobicContact CE-CB 3.74Å; M1828-N1871 WeakPolarHBondContact CE-O 3.33Å; M1828-N1871 HydrophobicContact SD-CB 3.69Å; M1828-N1871 VanDerWaalsContact SD-CB 3.58Å; M1828-N1871 WeakPolarHBondContact SD-CB 3.45Å; M1828-I1873 HydrophobicContact CB-CD1 4.15Å; M1828-I1873 HydrophobicContact CE-CD1 4.27Å; M1828-I1873 HydrophobicContact CE-CG1 4.12Å; M1828-I1873 HydrophobicContact CG-CD1 3.85Å; M1828-I1873 HydrophobicContact CG-CG1 4.11Å |
| 1829 | N | 82.1 | Confident | 75.4 | Confident | 70.8 Ų | 70.8 | 52.8 Ų | 52.8 | 38% | 0.379 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -63.3 | -32.8 | 178.4 | -70.3 | -14.7 | 0 | 0 | 0 | 112.4 | M1825 I1826 Q1827 I1832 T1833 | M1825-N1829 VanDerWaalsContact O-CG 3.27Å; M1825-N1829 PolarHBondContact O-N 3.13Å; M1825-N1829 VanDerWaalsContact O-N 3.1Å; M1825-N1829 PolarHBondContact O-ND2 3.42Å; M1825-N1829 PolarHBondContact O-OD1 3.47Å; I1826-N1829 WeakPolarHBondContact O-CB 3.32Å; I1826-N1829 PolarHBondContact O-N 3.18Å; Q1827-N1829 VanDerWaalsContact C-N 3.32Å; Q1827-N1829 PolarHBondContact O-N 3.32Å; N1829-I1832 WeakPolarHBondContact O-CB 3.15Å; N1829-I1832 PolarHBondContact O-N 3.38Å; N1829-T1833 WeakPolarHBondContact O-CB 3.34Å; N1829-T1833 PolarHBondContact O-N 3.22Å; N1829-T1833 PolarHBondContact O-OG1 3.2Å |
| 1830 | W | 83.3 | Confident | 76.6 | Confident | 15.8 Ų | 15.8 | 45.5 Ų | 45.5 | 6% | 0.06 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -69 | -44.9 | 175.2 | -173.4 | 88.4 | 0 | 0 | 0 | 112.2 | H1722 W1724 I1757 L1760 I1807 Y1810 L1811 I1826 Q1827 M1828 I1832 T1833 V1834 | H1722-W1830 AromaticContact CE1-CE2 3.75Å; H1722-W1830 AromaticContact CE1-NE1 3.7Å; H1722-W1830 AromaticContact NE2-CE2 3.72Å; H1722-W1830 AromaticContact NE2-CZ2 3.76Å; H1722-W1830 AromaticContact NE2-NE1 3.35Å; H1722-W1830 PolarHBondContact NE2-NE1 3.08Å; W1724-W1830 HydrophobicContact CE3-CB 4.32Å; W1724-W1830 HydrophobicContact CE3-CG 4.15Å; W1724-W1830 HydrophobicContact CH2-CB 3.16Å; W1724-W1830 AromaticContact CH2-CD1 3.28Å; W1724-W1830 HydrophobicContact CH2-CD2 4.43Å; W1724-W1830 AromaticContact CH2-CG 3.61Å; W1724-W1830 HydrophobicContact CH2-CG 3.61Å; W1724-W1830 HydrophobicContact CZ2-CB 4.06Å; W1724-W1830 AromaticContact CZ2-CD2 3.85Å; W1724-W1830 HydrophobicContact CZ2-CD2 3.85Å; W1724-W1830 AromaticContact CZ2-CE3 3.6Å; W1724-W1830 HydrophobicContact CZ2-CE3 3.6Å; W1724-W1830 HydrophobicContact CZ2-CG 4.33Å; W1724-W1830 HydrophobicContact CZ2-CZ3 4.15Å; W1724-W1830 HydrophobicContact CZ3-CB 3.37Å; W1724-W1830 AromaticContact CZ3-CD1 3.17Å; W1724-W1830 AromaticContact CZ3-CD2 3.96Å; W1724-W1830 HydrophobicContact CZ3-CD2 3.98Å; W1724-W1830 HydrophobicContact CZ3-CE3 4.16Å; W1724-W1830 AromaticContact CZ3-CG 3.44Å; W1724-W1830 HydrophobicContact CZ3-CG 3.44Å; W1724-W1830 AromaticContact CZ3-NE1 3.71Å; W1724-W1830 VanDerWaalsContact NE1-CB 3.27Å; W1724-W1830 AromaticContact NE1-CD1 3.61Å; W1724-W1830 AromaticContact NE1-CD2 3.74Å; W1724-W1830 AromaticContact NE1-CG 3.22Å; I1757-W1830 HydrophobicContact CG2-CZ2 4.42Å; L1760-W1830 HydrophobicContact CD2-CG 4.39Å; I1807-W1830 HydrophobicContact CG2-CH2 4.33Å; Y1810-W1830 HydrophobicContact CD1-CE3 4.33Å; Y1810-W1830 AromaticContact CD1-CH2 3.33Å; Y1810-W1830 HydrophobicContact CD1-CH2 3.33Å; Y1810-W1830 VanDerWaalsContact CD1-CH2 3.4Å; Y1810-W1830 AromaticContact CD1-CZ2 3.81Å; Y1810-W1830 HydrophobicContact CD1-CZ2 3.94Å; Y1810-W1830 AromaticContact CD1-CZ3 3.54Å; Y1810-W1830 HydrophobicContact CD1-CZ3 3.67Å; Y1810-W1830 AromaticContact CE1-CE3 3.92Å; Y1810-W1830 HydrophobicContact CE1-CE3 4.16Å; Y1810-W1830 AromaticContact CE1-CH2 3.76Å; Y1810-W1830 HydrophobicContact CE1-CH2 3.95Å; Y1810-W1830 AromaticContact CE1-CZ2 3.89Å; Y1810-W1830 HydrophobicContact CE1-CZ2 4Å; Y1810-W1830 AromaticContact CE1-CZ3 3.7Å; Y1810-W1830 HydrophobicContact CE1-CZ3 3.9Å; Y1810-W1830 AromaticContact CG-CH2 3.84Å; Y1810-W1830 HydrophobicContact CG-CH2 3.84Å; Y1810-W1830 HydrophobicContact CG-CZ2 4.19Å; Y1810-W1830 HydrophobicContact CG-CZ3 4.4Å; L1811-W1830 HydrophobicContact CD2-CH2 4.34Å; L1811-W1830 HydrophobicContact CD2-CZ3 3.94Å; L1811-W1830 HydrophobicContact CG-CH2 4.4Å; L1811-W1830 HydrophobicContact CG-CZ3 4.45Å; I1826-W1830 PolarHBondContact O-N 3.13Å; I1826-W1830 VanDerWaalsContact O-N 3.11Å; Q1827-W1830 WeakPolarHBondContact O-CB 3.38Å; Q1827-W1830 PolarHBondContact O-N 2.99Å; Q1827-W1830 VanDerWaalsContact O-N 3.14Å; M1828-W1830 VanDerWaalsContact C-N 3.26Å; M1828-W1830 PolarHBondContact O-N 3.06Å; W1830-I1832 VanDerWaalsContact C-N 3.29Å; W1830-I1832 PolarHBondContact O-N 3.07Å; W1830-T1833 CarbonylContact O-C 3.54Å; W1830-T1833 WeakPolarHBondContact O-CB 3.44Å; W1830-T1833 PolarHBondContact O-N 3.19Å; W1830-T1833 VanDerWaalsContact O-N 3.13Å; W1830-V1834 HydrophobicContact CD2-CG2 3.82Å; W1830-V1834 VanDerWaalsContact CE2-CG2 3.48Å; W1830-V1834 HydrophobicContact CE3-CG2 3.85Å; W1830-V1834 HydrophobicContact CG-CG2 4.34Å; W1830-V1834 HydrophobicContact CH2-CG2 3.76Å; W1830-V1834 HydrophobicContact CZ2-CG2 3.74Å; W1830-V1834 HydrophobicContact CZ3-CG2 3.82Å; W1830-V1834 WeakPolarHBondContact O-CB 3.44Å; W1830-V1834 VanDerWaalsContact O-CG2 3.27Å; W1830-V1834 WeakPolarHBondContact O-CG2 3.44Å; W1830-V1834 PolarHBondContact O-N 3.33Å |
| 1831 | Y | 86.3 | Confident | 77.7 | Confident | 2.4 Ų | 2.4 | 43.1 Ų | 43.1 | 1% | 0.009 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -61.1 | -37 | 174.6 | -64.9 | -53.3 | 0 | 0 | 0 | 112.1 | W1724 L1811 Q1827 M1828 V1834 A1835 L1860 P1861 I1873 | W1724-Y1831 HydrophobicContact CH2-CE1 4.26Å; W1724-Y1831 HydrophobicContact CZ2-CE1 4.4Å; L1811-Y1831 HydrophobicContact CD2-CD1 4.32Å; L1811-Y1831 HydrophobicContact CD2-CE1 3.88Å; Q1827-Y1831 HydrophobicContact CB-CE2 4.42Å; Q1827-Y1831 HydrophobicContact CG-CD2 4.22Å; Q1827-Y1831 HydrophobicContact CG-CE2 3.6Å; Q1827-Y1831 VanDerWaalsContact NE2-CE2 3.34Å; Q1827-Y1831 PolarHBondContact NE2-OH 3.32Å; Q1827-Y1831 WeakPolarHBondContact O-CD2 3.31Å; Q1827-Y1831 PolarHBondContact O-N 3.14Å; M1828-Y1831 PolarHBondContact O-N 3.2Å; Y1831-V1834 PolarHBondContact O-N 3.07Å; Y1831-A1835 WeakPolarHBondContact O-CB 3.33Å; Y1831-A1835 PolarHBondContact O-N 3.09Å; Y1831-A1835 VanDerWaalsContact O-N 3.09Å; Y1831-L1860 HydrophobicContact CD1-CD1 4.18Å; Y1831-P1861 HydrophobicContact CD1-CB 4.42Å; Y1831-P1861 HydrophobicContact CD1-CG 4.37Å; Y1831-P1861 HydrophobicContact CD2-CB 4.46Å; Y1831-P1861 HydrophobicContact CE1-CB 4.25Å; Y1831-P1861 HydrophobicContact CE1-CG 3.86Å; Y1831-P1861 HydrophobicContact CE2-CB 4.36Å; Y1831-P1861 HydrophobicContact CE2-CG 4.35Å; Y1831-I1873 HydrophobicContact CD2-CD1 3.7Å; Y1831-I1873 HydrophobicContact CD2-CG1 4.37Å; Y1831-I1873 HydrophobicContact CE2-CD1 3.78Å; Y1831-I1873 HydrophobicContact CE2-CG2 4.37Å |
| 1832 | I | 86.4 | Confident | 78.9 | Confident | 9.4 Ų | 9.4 | 39.4 Ų | 39.4 | 5% | 0.048 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -60.1 | -51.2 | 171.5 | -71.1 | 159.9 | 0 | 0 | 0 | 110.7 | M1828 N1829 W1830 V1834 A1835 Q1836 V1863 K1949 Y1950 | M1828-I1832 HydrophobicContact CG-CD1 4.2Å; M1828-I1832 WeakPolarHBondContact O-CD1 3.27Å; M1828-I1832 WeakPolarHBondContact O-CG1 3.36Å; M1828-I1832 PolarHBondContact O-N 3.13Å; M1828-I1832 VanDerWaalsContact O-N 3.09Å; N1829-I1832 WeakPolarHBondContact O-CB 3.15Å; N1829-I1832 PolarHBondContact O-N 3.38Å; W1830-I1832 VanDerWaalsContact C-N 3.29Å; W1830-I1832 PolarHBondContact O-N 3.07Å; I1832-V1834 VanDerWaalsContact C-N 3.32Å; I1832-V1834 PolarHBondContact O-N 3.11Å; I1832-A1835 PolarHBondContact O-N 3.2Å; I1832-A1835 VanDerWaalsContact O-N 3.14Å; I1832-Q1836 HydrophobicContact CG2-CG 4.37Å; I1832-Q1836 VanDerWaalsContact O-CG 3.28Å; I1832-Q1836 WeakPolarHBondContact O-CG 3.24Å; I1832-Q1836 PolarHBondContact O-N 3.21Å; I1832-V1863 HydrophobicContact CD1-CB 4.37Å; I1832-V1863 HydrophobicContact CD1-CG1 4.4Å; I1832-V1863 HydrophobicContact CD1-CG2 4.37Å; I1832-V1863 HydrophobicContact CG1-CB 4.39Å; I1832-V1863 HydrophobicContact CG1-CG2 4.04Å; I1832-K1949 HydrophobicContact CD1-CB 3.67Å; I1832-K1949 HydrophobicContact CD1-CD 4.01Å; I1832-K1949 HydrophobicContact CD1-CG 4.45Å; I1832-K1949 HydrophobicContact CG1-CB 4.47Å; I1832-K1949 HydrophobicContact CG2-CB 4.48Å; I1832-Y1950 HydrophobicContact CB-CD1 4.26Å; I1832-Y1950 HydrophobicContact CB-CE1 4.27Å; I1832-Y1950 HydrophobicContact CG1-CD1 4.07Å; I1832-Y1950 HydrophobicContact CG1-CE1 3.94Å; I1832-Y1950 HydrophobicContact CG1-CG 4.41Å; I1832-Y1950 HydrophobicContact CG2-CD1 4.22Å |
| 1833 | T | 84.7 | Confident | 79.4 | Confident | 15.4 Ų | 15.4 | 31.5 Ų | 31.5 | 9% | 0.094 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -60.7 | -40.1 | -179.9 | -53.6 | 0 | 0 | 0 | 0 | 111.9 | L1756 K1759 L1760 G1761 N1829 W1830 Q1836 F1837 | L1756-T1833 HydrophobicContact CD1-CG2 3.7Å; L1756-T1833 HydrophobicContact CD2-CG2 3.43Å; L1756-T1833 VanDerWaalsContact CD2-CG2 3.43Å; L1756-T1833 HydrophobicContact CG-CG2 4.28Å; K1759-T1833 HydrophobicContact CB-CG2 3.82Å; K1759-T1833 HydrophobicContact CD-CG2 4.33Å; L1760-T1833 HydrophobicContact CD2-CG2 3.65Å; L1760-T1833 HydrophobicContact CG-CG2 3.94Å; G1761-T1833 WeakPolarHBondContact O-CG2 3.39Å; N1829-T1833 WeakPolarHBondContact O-CB 3.34Å; N1829-T1833 PolarHBondContact O-N 3.22Å; N1829-T1833 PolarHBondContact O-OG1 3.2Å; W1830-T1833 CarbonylContact O-C 3.54Å; W1830-T1833 WeakPolarHBondContact O-CB 3.44Å; W1830-T1833 PolarHBondContact O-N 3.19Å; W1830-T1833 VanDerWaalsContact O-N 3.13Å; T1833-Q1836 WeakPolarHBondContact O-CB 3.5Å; T1833-Q1836 PolarHBondContact O-N 3.13Å; T1833-F1837 WeakPolarHBondContact O-CB 3.33Å; T1833-F1837 PolarHBondContact O-N 3.14Å |
| 1834 | V | 86.4 | Confident | 79.2 | Confident | 2 Ų | 2 | 34.4 Ų | 34.4 | 1% | 0.012 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -63.1 | -42.6 | 176.6 | 163.2 | 0 | 0 | 0 | 0 | 111.9 | L1760 I1807 W1830 Y1831 I1832 Q1836 F1837 Y1838 F1856 L1860 | L1760-V1834 HydrophobicContact CD2-CB 4.48Å; L1760-V1834 HydrophobicContact CD2-CG2 3.54Å; I1807-V1834 HydrophobicContact CD1-CG1 4.41Å; I1807-V1834 HydrophobicContact CD1-CG2 4.4Å; I1807-V1834 HydrophobicContact CG1-CG2 4.33Å; I1807-V1834 HydrophobicContact CG2-CB 4.47Å; I1807-V1834 HydrophobicContact CG2-CG1 3.55Å; I1807-V1834 VanDerWaalsContact CG2-CG1 3.48Å; I1807-V1834 HydrophobicContact CG2-CG2 4.07Å; W1830-V1834 HydrophobicContact CD2-CG2 3.82Å; W1830-V1834 VanDerWaalsContact CE2-CG2 3.48Å; W1830-V1834 HydrophobicContact CE3-CG2 3.85Å; W1830-V1834 HydrophobicContact CG-CG2 4.34Å; W1830-V1834 HydrophobicContact CH2-CG2 3.76Å; W1830-V1834 HydrophobicContact CZ2-CG2 3.74Å; W1830-V1834 HydrophobicContact CZ3-CG2 3.82Å; W1830-V1834 WeakPolarHBondContact O-CB 3.44Å; W1830-V1834 VanDerWaalsContact O-CG2 3.27Å; W1830-V1834 WeakPolarHBondContact O-CG2 3.44Å; W1830-V1834 PolarHBondContact O-N 3.33Å; Y1831-V1834 PolarHBondContact O-N 3.07Å; I1832-V1834 VanDerWaalsContact C-N 3.32Å; I1832-V1834 PolarHBondContact O-N 3.11Å; V1834-Q1836 VanDerWaalsContact C-N 3.34Å; V1834-F1837 WeakPolarHBondContact O-CB 3.39Å; V1834-F1837 PolarHBondContact O-N 3.06Å; V1834-Y1838 PolarHBondContact O-N 2.95Å; V1834-Y1838 VanDerWaalsContact O-N 3.1Å; V1834-F1856 HydrophobicContact CG1-CE2 3.81Å; V1834-F1856 HydrophobicContact CG1-CZ 3.61Å; V1834-L1860 HydrophobicContact CB-CD1 4.42Å; V1834-L1860 HydrophobicContact CG1-CD1 3.8Å; V1834-L1860 HydrophobicContact CG1-CD2 4.41Å |
| 1835 | A | 86.9 | Confident | 78.3 | Confident | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -69.5 | -38.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112 | Y1831 I1832 F1837 Y1838 A1839 L1860 Y1950 W1964 L1967 | Y1831-A1835 WeakPolarHBondContact O-CB 3.33Å; Y1831-A1835 PolarHBondContact O-N 3.09Å; Y1831-A1835 VanDerWaalsContact O-N 3.09Å; I1832-A1835 PolarHBondContact O-N 3.2Å; I1832-A1835 VanDerWaalsContact O-N 3.14Å; A1835-F1837 VanDerWaalsContact C-N 3.33Å; A1835-F1837 PolarHBondContact O-N 3.41Å; A1835-Y1838 WeakPolarHBondContact O-CB 3.35Å; A1835-Y1838 PolarHBondContact O-N 3.26Å; A1835-A1839 PolarHBondContact O-N 3.1Å; A1835-L1860 HydrophobicContact CB-CD2 4.11Å; A1835-Y1950 HydrophobicContact CB-CD1 3.65Å; A1835-Y1950 HydrophobicContact CB-CE1 3.35Å; A1835-Y1950 VanDerWaalsContact CB-CE1 3.44Å; A1835-W1964 HydrophobicContact CB-CH2 4.06Å; A1835-W1964 HydrophobicContact CB-CZ3 3.8Å; A1835-L1967 HydrophobicContact CB-CD1 3.88Å; A1835-L1967 HydrophobicContact CB-CD2 3.94Å |
| 1836 | Q | 85.7 | Confident | 77.1 | Confident | 24.6 Ų | 24.6 | 35.4 Ų | 35.4 | 12% | 0.115 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -60.1 | -45.5 | 173.2 | -70.7 | 177.5 | -23 | 0 | 0 | 110.9 | L1756 I1832 T1833 V1834 Y1838 A1839 L1840 K1949 Y1950 I1954 W1964 | L1756-Q1836 HydrophobicContact CD1-CB 4.33Å; I1832-Q1836 HydrophobicContact CG2-CG 4.37Å; I1832-Q1836 VanDerWaalsContact O-CG 3.28Å; I1832-Q1836 WeakPolarHBondContact O-CG 3.24Å; I1832-Q1836 PolarHBondContact O-N 3.21Å; T1833-Q1836 WeakPolarHBondContact O-CB 3.5Å; T1833-Q1836 PolarHBondContact O-N 3.13Å; V1834-Q1836 VanDerWaalsContact C-N 3.34Å; Q1836-Y1838 VanDerWaalsContact C-N 3.32Å; Q1836-Y1838 PolarHBondContact O-N 2.99Å; Q1836-A1839 PolarHBondContact O-N 3.11Å; Q1836-A1839 VanDerWaalsContact O-N 3.12Å; Q1836-L1840 HydrophobicContact CB-CD1 4.24Å; Q1836-L1840 VanDerWaalsContact O-CB 3.3Å; Q1836-L1840 WeakPolarHBondContact O-CB 3.34Å; Q1836-L1840 VanDerWaalsContact O-CD1 3.3Å; Q1836-L1840 WeakPolarHBondContact O-CD1 3.28Å; Q1836-L1840 WeakPolarHBondContact O-CG 3.4Å; Q1836-L1840 PolarHBondContact O-N 3.07Å; Q1836-K1949 PolarHBondContact NE2-O 3.02Å; Q1836-K1949 VanDerWaalsContact NE2-O 3.09Å; Q1836-Y1950 VanDerWaalsContact CG-O 3.26Å; Q1836-Y1950 WeakPolarHBondContact CG-O 3.08Å; Q1836-Y1950 PolarHBondContact NE2-O 3.16Å; Q1836-I1954 HydrophobicContact CB-CD1 4.24Å; Q1836-I1954 HydrophobicContact CG-CD1 3.96Å; Q1836-W1964 HydrophobicContact CB-CH2 4.4Å; Q1836-W1964 HydrophobicContact CG-CH2 3.99Å; Q1836-W1964 HydrophobicContact CG-CZ2 4.15Å |
| 1837 | F | 84.7 | Confident | 75.7 | Confident | 3.6 Ų | 3.6 | 38.6 Ų | 38.6 | 2% | 0.016 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -54.7 | -47.3 | 173.3 | 179.4 | -97 | 0 | 0 | 0 | 112 | Y1753 L1756 I1757 L1760 I1764 F1769 P1799 V1802 L1803 I1807 T1833 V1834 A1835 A1839 L1840 I1841 | Y1753-F1837 HydrophobicContact CE2-CD2 4.44Å; Y1753-F1837 AromaticContact CE2-CE2 3.88Å; Y1753-F1837 HydrophobicContact CE2-CE2 4.05Å; L1756-F1837 HydrophobicContact CD2-CB 3.92Å; L1756-F1837 HydrophobicContact CD2-CD2 4.05Å; L1756-F1837 HydrophobicContact CD2-CG 4.42Å; L1756-F1837 HydrophobicContact CG-CB 4.41Å; L1756-F1837 HydrophobicContact CG-CD2 4.37Å; I1757-F1837 HydrophobicContact CD1-CE2 4.2Å; I1757-F1837 HydrophobicContact CG1-CD2 4.41Å; I1757-F1837 HydrophobicContact CG1-CE2 3.97Å; I1757-F1837 HydrophobicContact CG2-CD2 4.04Å; I1757-F1837 HydrophobicContact CG2-CE2 3.89Å; L1760-F1837 HydrophobicContact CD1-CB 4.03Å; L1760-F1837 HydrophobicContact CD1-CD1 4.48Å; L1760-F1837 HydrophobicContact CD1-CD2 3.75Å; L1760-F1837 HydrophobicContact CD1-CE2 4.24Å; L1760-F1837 HydrophobicContact CD1-CG 3.87Å; I1764-F1837 HydrophobicContact CG2-CD2 3.57Å; I1764-F1837 HydrophobicContact CG2-CE2 3.94Å; I1764-F1837 HydrophobicContact CG2-CG 4.25Å; F1769-F1837 HydrophobicContact CE2-CE2 4.48Å; P1799-F1837 HydrophobicContact CB-CE2 4.04Å; P1799-F1837 HydrophobicContact CB-CZ 4.02Å; V1802-F1837 HydrophobicContact CB-CE1 4.24Å; V1802-F1837 HydrophobicContact CB-CE2 4.18Å; V1802-F1837 HydrophobicContact CB-CZ 3.7Å; V1802-F1837 VanDerWaalsContact CB-CZ 3.47Å; V1802-F1837 HydrophobicContact CG1-CD2 4.44Å; V1802-F1837 HydrophobicContact CG1-CE1 4.04Å; V1802-F1837 HydrophobicContact CG1-CE2 3.79Å; V1802-F1837 HydrophobicContact CG1-CZ 3.61Å; V1802-F1837 VanDerWaalsContact CG1-CZ 3.45Å; V1802-F1837 HydrophobicContact CG2-CE2 4.43Å; V1802-F1837 HydrophobicContact CG2-CZ 4.3Å; L1803-F1837 HydrophobicContact CB-CE1 4.36Å; I1807-F1837 HydrophobicContact CD1-CD1 3.64Å; I1807-F1837 HydrophobicContact CD1-CE1 3.87Å; I1807-F1837 HydrophobicContact CD1-CG 4.3Å; T1833-F1837 WeakPolarHBondContact O-CB 3.33Å; T1833-F1837 PolarHBondContact O-N 3.14Å; V1834-F1837 WeakPolarHBondContact O-CB 3.39Å; V1834-F1837 PolarHBondContact O-N 3.06Å; A1835-F1837 VanDerWaalsContact C-N 3.33Å; A1835-F1837 PolarHBondContact O-N 3.41Å; F1837-A1839 VanDerWaalsContact C-N 3.35Å; F1837-A1839 PolarHBondContact O-N 3.18Å; F1837-L1840 PolarHBondContact O-N 3.06Å; F1837-L1840 VanDerWaalsContact O-N 3.13Å; F1837-I1841 HydrophobicContact CD1-CD1 3.83Å; F1837-I1841 HydrophobicContact CD1-CG1 4.47Å; F1837-I1841 HydrophobicContact CD2-CD1 3.53Å; F1837-I1841 VanDerWaalsContact CD2-CD1 3.45Å; F1837-I1841 HydrophobicContact CD2-CG1 4.13Å; F1837-I1841 HydrophobicContact CE1-CD1 3.61Å; F1837-I1841 VanDerWaalsContact CE1-CD1 3.43Å; F1837-I1841 HydrophobicContact CE1-CG1 4.27Å; F1837-I1841 HydrophobicContact CE2-CD1 3.3Å; F1837-I1841 HydrophobicContact CE2-CG1 4.04Å; F1837-I1841 HydrophobicContact CG-CD1 3.79Å; F1837-I1841 HydrophobicContact CG-CG1 4.41Å; F1837-I1841 HydrophobicContact CZ-CD1 3.35Å; F1837-I1841 HydrophobicContact CZ-CG1 4Å; F1837-I1841 WeakPolarHBondContact O-CB 3.38Å; F1837-I1841 VanDerWaalsContact O-CD1 3.27Å; F1837-I1841 WeakPolarHBondContact O-CD1 3.35Å; F1837-I1841 VanDerWaalsContact O-CG1 3.27Å; F1837-I1841 WeakPolarHBondContact O-CG1 3.31Å; F1837-I1841 PolarHBondContact O-N 2.94Å |
| 1838 | Y | 84 | Confident | 74.2 | Confident | 14.4 Ų | 14.4 | 38.5 Ų | 38.5 | 6% | 0.056 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -61.1 | -43 | 176.8 | 179.5 | -92.3 | 0 | 0 | 0 | 113 | L1803 V1834 A1835 Q1836 L1840 I1853 F1856 R1963 D1966 L1967 | L1803-Y1838 HydrophobicContact CD1-CD2 4.28Å; L1803-Y1838 HydrophobicContact CD2-CD2 4.21Å; L1803-Y1838 HydrophobicContact CD2-CE2 4.28Å; V1834-Y1838 PolarHBondContact O-N 2.95Å; V1834-Y1838 VanDerWaalsContact O-N 3.1Å; A1835-Y1838 WeakPolarHBondContact O-CB 3.35Å; A1835-Y1838 PolarHBondContact O-N 3.26Å; Q1836-Y1838 VanDerWaalsContact C-N 3.32Å; Q1836-Y1838 PolarHBondContact O-N 2.99Å; Y1838-L1840 VanDerWaalsContact C-N 3.31Å; Y1838-L1840 PolarHBondContact O-N 3.33Å; Y1838-I1853 HydrophobicContact CE2-CG2 4.15Å; Y1838-F1856 HydrophobicContact CD1-CD1 4.47Å; Y1838-F1856 HydrophobicContact CD1-CE1 4.23Å; Y1838-F1856 AromaticContact CD2-CD1 3.55Å; Y1838-F1856 HydrophobicContact CD2-CD1 3.55Å; Y1838-F1856 VanDerWaalsContact CD2-CD1 3.45Å; Y1838-F1856 AromaticContact CD2-CE1 3.51Å; Y1838-F1856 HydrophobicContact CD2-CE1 3.51Å; Y1838-F1856 VanDerWaalsContact CD2-CE1 3.45Å; Y1838-F1856 HydrophobicContact CD2-CG 4.34Å; Y1838-F1856 HydrophobicContact CD2-CZ 4.39Å; Y1838-F1856 AromaticContact CE2-CD1 3.78Å; Y1838-F1856 HydrophobicContact CE2-CD1 3.84Å; Y1838-F1856 HydrophobicContact CE2-CE1 4.22Å; Y1838-F1856 HydrophobicContact CE2-CG 4.36Å; Y1838-F1856 AromaticContact CG-CD1 3.91Å; Y1838-F1856 HydrophobicContact CG-CD1 4.13Å; Y1838-F1856 AromaticContact CG-CE1 3.65Å; Y1838-F1856 HydrophobicContact CG-CE1 3.65Å; Y1838-F1856 VanDerWaalsContact CG-CE1 3.47Å; Y1838-F1856 HydrophobicContact CG-CZ 4.4Å; Y1838-R1963 HydrophobicContact CE1-CB 4.44Å; Y1838-R1963 VanDerWaalsContact CZ-NH2 3.33Å; Y1838-R1963 VanDerWaalsContact O-CZ 3.27Å; Y1838-R1963 PolarHBondContact O-NE 3.01Å; Y1838-R1963 PolarHBondContact O-NH2 2.86Å; Y1838-D1966 PolarHBondContact OH-OD2 3.07Å; Y1838-L1967 HydrophobicContact CD1-CB 4.01Å; Y1838-L1967 HydrophobicContact CD1-CD1 3.85Å; Y1838-L1967 HydrophobicContact CD1-CD2 4.24Å; Y1838-L1967 HydrophobicContact CD1-CG 4.28Å; Y1838-L1967 HydrophobicContact CD2-CD1 4.46Å; Y1838-L1967 HydrophobicContact CE1-CB 3.9Å; Y1838-L1967 HydrophobicContact CE1-CD1 4.13Å; Y1838-L1967 HydrophobicContact CE1-CG 4.48Å; Y1838-L1967 HydrophobicContact CG-CD1 4.18Å |
| 1839 | A | 81.7 | Confident | 72.6 | Confident | 0.4 Ų | 0.4 | 45.4 Ų | 45.4 | 0% | 0.003 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -71.7 | -30.4 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | A1835 Q1836 F1837 R1963 W1964 | A1835-A1839 PolarHBondContact O-N 3.1Å; Q1836-A1839 PolarHBondContact O-N 3.11Å; Q1836-A1839 VanDerWaalsContact O-N 3.12Å; F1837-A1839 VanDerWaalsContact C-N 3.35Å; F1837-A1839 PolarHBondContact O-N 3.18Å; A1839-R1963 VanDerWaalsContact O-CD 3.31Å; A1839-R1963 WeakPolarHBondContact O-CD 3.34Å; A1839-R1963 PolarHBondContact O-NH1 2.88Å; A1839-R1963 VanDerWaalsContact O-NH1 3.14Å; A1839-W1964 HydrophobicContact CB-CD2 3.67Å; A1839-W1964 VanDerWaalsContact CB-CE2 3.47Å; A1839-W1964 HydrophobicContact CB-CE3 4.16Å; A1839-W1964 HydrophobicContact CB-CG 4.14Å; A1839-W1964 HydrophobicContact CB-CH2 4.16Å; A1839-W1964 HydrophobicContact CB-CZ2 3.64Å; A1839-W1964 HydrophobicContact CB-CZ3 4.34Å |
| 1840 | L | 80 | Confident | 71 | Confident | 14.8 Ų | 14.8 | 45.7 Ų | 45.7 | 8% | 0.077 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -86.7 | -13.6 | -175.1 | -67.4 | 169.6 | 0 | 0 | 0 | 113.9 | I1746 I1748 L1756 P1766 Q1770 Q1836 F1837 Y1838 H1842 I1954 Q1960 R1963 | I1746-L1840 WeakPolarHBondContact CB-O 3.48Å; I1746-L1840 PolarHBondContact N-O 2.94Å; I1748-L1840 HydrophobicContact CD1-CB 3.95Å; I1748-L1840 HydrophobicContact CD1-CD1 4.32Å; I1748-L1840 HydrophobicContact CG1-CB 4.43Å; I1748-L1840 HydrophobicContact CG2-CB 4.47Å; I1748-L1840 HydrophobicContact CG2-CD1 4.13Å; I1748-L1840 HydrophobicContact CG2-CD2 3.84Å; I1748-L1840 HydrophobicContact CG2-CG 4.4Å; L1756-L1840 HydrophobicContact CD1-CD1 3.75Å; L1756-L1840 HydrophobicContact CD2-CD1 4.02Å; P1766-L1840 HydrophobicContact CB-CD1 3.04Å; P1766-L1840 HydrophobicContact CG-CD1 4.22Å; Q1770-L1840 HydrophobicContact CG-CD2 4.41Å; Q1836-L1840 HydrophobicContact CB-CD1 4.24Å; Q1836-L1840 VanDerWaalsContact O-CB 3.3Å; Q1836-L1840 WeakPolarHBondContact O-CB 3.34Å; Q1836-L1840 VanDerWaalsContact O-CD1 3.3Å; Q1836-L1840 WeakPolarHBondContact O-CD1 3.28Å; Q1836-L1840 WeakPolarHBondContact O-CG 3.4Å; Q1836-L1840 PolarHBondContact O-N 3.07Å; F1837-L1840 PolarHBondContact O-N 3.06Å; F1837-L1840 VanDerWaalsContact O-N 3.13Å; Y1838-L1840 VanDerWaalsContact C-N 3.31Å; Y1838-L1840 PolarHBondContact O-N 3.33Å; L1840-H1842 PolarHBondContact O-N 3.25Å; L1840-I1954 HydrophobicContact CD1-CD1 4.32Å; L1840-I1954 HydrophobicContact CD2-CD1 4.42Å; L1840-I1954 HydrophobicContact CD2-CG2 3.97Å; L1840-Q1960 HydrophobicContact CD2-CG 4.19Å; L1840-Q1960 VanDerWaalsContact CD2-NE2 3.31Å; L1840-R1963 PolarHBondContact O-NH1 3.29Å |
| 1841 | I | 76.8 | Confident | 69.5 | Low | 5.4 Ų | 5.4 | 52.4 Ų | 52.4 | 3% | 0.028 | 27% | 0.27 | C | S | . | . | B | Isolated β-bridge | trans | -111.4 | 129.5 | -172.6 | -60.1 | 177.2 | 0 | 0 | 0 | 111.6 | M1744 L1745 I1748 Y1753 P1799 F1837 L1843 R1963 | M1744-I1841 HydrophobicContact CB-CG2 4.45Å; M1744-I1841 CarbonylContact O-C 3.54Å; M1744-I1841 WeakPolarHBondContact O-CA 3.38Å; L1745-I1841 HydrophobicContact CD2-CD1 3.31Å; L1745-I1841 HydrophobicContact CD2-CG1 4.5Å; I1748-I1841 HydrophobicContact CD1-CD1 4.17Å; Y1753-I1841 HydrophobicContact CD2-CD1 3.98Å; Y1753-I1841 VanDerWaalsContact CD2-CD1 3.49Å; Y1753-I1841 HydrophobicContact CD2-CG1 4.41Å; Y1753-I1841 HydrophobicContact CE2-CD1 3.67Å; Y1753-I1841 HydrophobicContact CE2-CG1 4.32Å; P1799-I1841 HydrophobicContact CB-CB 4.29Å; P1799-I1841 HydrophobicContact CB-CD1 3.86Å; P1799-I1841 HydrophobicContact CB-CG1 3.41Å; P1799-I1841 VanDerWaalsContact CB-CG1 3.41Å; P1799-I1841 HydrophobicContact CB-CG2 3.49Å; P1799-I1841 HydrophobicContact CG-CD1 4.13Å; P1799-I1841 HydrophobicContact CG-CG1 4.28Å; P1799-I1841 HydrophobicContact CG-CG2 3.62Å; F1837-I1841 HydrophobicContact CD1-CD1 3.83Å; F1837-I1841 HydrophobicContact CD1-CG1 4.47Å; F1837-I1841 HydrophobicContact CD2-CD1 3.53Å; F1837-I1841 VanDerWaalsContact CD2-CD1 3.45Å; F1837-I1841 HydrophobicContact CD2-CG1 4.13Å; F1837-I1841 HydrophobicContact CE1-CD1 3.61Å; F1837-I1841 VanDerWaalsContact CE1-CD1 3.43Å; F1837-I1841 HydrophobicContact CE1-CG1 4.27Å; F1837-I1841 HydrophobicContact CE2-CD1 3.3Å; F1837-I1841 HydrophobicContact CE2-CG1 4.04Å; F1837-I1841 HydrophobicContact CG-CD1 3.79Å; F1837-I1841 HydrophobicContact CG-CG1 4.41Å; F1837-I1841 HydrophobicContact CZ-CD1 3.35Å; F1837-I1841 HydrophobicContact CZ-CG1 4Å; F1837-I1841 WeakPolarHBondContact O-CB 3.38Å; F1837-I1841 VanDerWaalsContact O-CD1 3.27Å; F1837-I1841 WeakPolarHBondContact O-CD1 3.35Å; F1837-I1841 VanDerWaalsContact O-CG1 3.27Å; F1837-I1841 WeakPolarHBondContact O-CG1 3.31Å; F1837-I1841 PolarHBondContact O-N 2.94Å; I1841-L1843 VanDerWaalsContact C-N 3.3Å; I1841-L1843 HydrophobicContact CB-CG 4.41Å; I1841-L1843 HydrophobicContact CG2-CD2 4.05Å; I1841-L1843 HydrophobicContact CG2-CG 4.01Å; I1841-L1843 PolarHBondContact O-N 3.05Å; I1841-R1963 PolarHBondContact O-NE 3.03Å; I1841-R1963 PolarHBondContact O-NH1 2.94Å; I1841-R1963 VanDerWaalsContact O-NH1 3.11Å; I1841-R1963 PolarHBondContact O-NH2 3.31Å |
| 1842 | H | 72.8 | Confident | 68.1 | Low | 91.4 Ų | 91.4 | 53.6 Ų | 53.6 | 42% | 0.423 | 28% | 0.278 | S | S | . | . | trans | -83.4 | 99.7 | 170.6 | -161.8 | 76.3 | 0 | 0 | 0 | 110.8 | M1744 I1746 L1840 N1844 Q1959 R1963 | M1744-H1842 VanDerWaalsContact CE-O 3.32Å; M1744-H1842 WeakPolarHBondContact CE-O 3.47Å; M1744-H1842 PolarHBondContact O-N 3.05Å; I1746-H1842 HydrophobicContact CD1-CB 4.12Å; I1746-H1842 HydrophobicContact CG1-CB 4.26Å; L1840-H1842 PolarHBondContact O-N 3.25Å; H1842-N1844 PolarHBondContact CD2-OD1 3.43Å; H1842-N1844 PolarHBondContact NE2-OD1 3.24Å; H1842-N1844 PolarHBondContact O-N 3Å; H1842-Q1959 PolarHBondContact CE1-OE1 2.63Å; H1842-Q1959 PolarHBondContact ND1-OE1 2.86Å; H1842-R1963 VanDerWaalsContact CG-NH2 3.25Å; H1842-R1963 PolarHBondContact ND1-NH2 3.06Å | ||
| 1843 | L | 65.7 | Low | 66.9 | Low | 18.8 Ų | 18.8 | 53.9 Ų | 53.9 | 10% | 0.098 | 28% | 0.28 | C | S | . | . | trans | -83.9 | 106.8 | 171 | -69.4 | 165.3 | 0 | 0 | 0 | 108.9 | P1799 L1803 I1841 I1845 I1853 R1963 | P1799-L1843 HydrophobicContact CB-CD2 3.77Å; L1803-L1843 HydrophobicContact CD1-CD1 4.09Å; L1803-L1843 HydrophobicContact CD2-CD1 3.87Å; I1841-L1843 VanDerWaalsContact C-N 3.3Å; I1841-L1843 HydrophobicContact CB-CG 4.41Å; I1841-L1843 HydrophobicContact CG2-CD2 4.05Å; I1841-L1843 HydrophobicContact CG2-CG 4.01Å; I1841-L1843 PolarHBondContact O-N 3.05Å; L1843-I1845 PolarHBondContact O-N 3.2Å; L1843-I1845 VanDerWaalsContact O-N 3.14Å; L1843-I1853 HydrophobicContact CB-CD1 3.97Å; L1843-I1853 HydrophobicContact CD1-CD1 4.11Å; L1843-I1853 HydrophobicContact CD1-CG1 4.29Å; L1843-I1853 HydrophobicContact CD1-CG2 4.39Å; L1843-R1963 VanDerWaalsContact N-NH2 3.13Å; L1843-R1963 PolarHBondContact O-NH2 2.9Å | ||
| 1844 | N | 57.3 | Low | 65.9 | Low | 104.4 Ų | 104.4 | 57.6 Ų | 57.6 | 56% | 0.558 | 30% | 0.299 | S | S | * | . | trans | -66.9 | 108.1 | 171 | -119.1 | -17.5 | 0 | 0 | 0 | 108.7 | H1842 S1846 H1847 | H1842-N1844 PolarHBondContact CD2-OD1 3.43Å; H1842-N1844 PolarHBondContact NE2-OD1 3.24Å; H1842-N1844 PolarHBondContact O-N 3Å; N1844-S1846 PolarHBondContact O-N 3Å; N1844-S1846 VanDerWaalsContact O-N 3.15Å; N1844-H1847 PolarHBondContact O-N 2.94Å | ||
| 1845 | I | 51.2 | Low | 65.1 | Low | 104.6 Ų | 104.6 | 61.3 Ų | 61.3 | 54% | 0.536 | 32% | 0.316 | S | S | . | . | G | 310 helix | trans | -63.1 | -19.8 | -170.2 | -62.4 | 172.1 | 0 | 0 | 0 | 112.1 | L1843 H1847 C1848 T1850 | L1843-I1845 PolarHBondContact O-N 3.2Å; L1843-I1845 VanDerWaalsContact O-N 3.14Å; I1845-H1847 VanDerWaalsContact C-N 3.26Å; I1845-H1847 PolarHBondContact O-N 3.15Å; I1845-H1847 VanDerWaalsContact O-N 3.11Å; I1845-C1848 PolarHBondContact O-N 2.94Å; I1845-T1850 HydrophobicContact CG2-CG2 3.87Å |
| 1846 | S | 50.4 | Low | 64.8 | Low | 87.8 Ų | 87.8 | 61.4 Ų | 61.4 | 61% | 0.614 | 32% | 0.316 | S | S | * | . | G | 310 helix | trans | -60.9 | -22.4 | -176.6 | 57.8 | 0 | 0 | 0 | 0 | 115.4 | N1844 | N1844-S1846 PolarHBondContact O-N 3Å; N1844-S1846 VanDerWaalsContact O-N 3.15Å |
| 1847 | H | 44.2 | Very low | 64.6 | Low | 173.8 Ų | 173.8 | 60.2 Ų | 60.2 | 81% | 0.805 | 31% | 0.311 | S | S | * | . | G | 310 helix | trans | -120.3 | -3.1 | -172.9 | -67.9 | -44.2 | 0 | 0 | 0 | 115.4 | N1844 I1845 | N1844-H1847 PolarHBondContact O-N 2.94Å; I1845-H1847 VanDerWaalsContact C-N 3.26Å; I1845-H1847 PolarHBondContact O-N 3.15Å; I1845-H1847 VanDerWaalsContact O-N 3.11Å |
| 1848 | C | 45.3 | Very low | 64.2 | Low | 27.6 Ų | 27.6 | 61.3 Ų | 61.3 | 19% | 0.186 | 32% | 0.319 | C | S | . | . | S | Bend | trans | -101.3 | 141.5 | 174.6 | -84.7 | 0 | 0 | 0 | 0 | 110 | S1800 I1845 T1850 I1853 | S1800-C1848 WeakPolarHBondContact CB-SG 3.38Å; I1845-C1848 PolarHBondContact O-N 2.94Å; C1848-T1850 VanDerWaalsContact C-N 3.32Å; C1848-T1850 WeakPolarHBondContact O-CG2 3.4Å; C1848-T1850 PolarHBondContact O-N 3.11Å; C1848-I1853 HydrophobicContact CB-CD1 3.58Å; C1848-I1853 VanDerWaalsContact CB-CD1 3.46Å; C1848-I1853 HydrophobicContact CB-CG1 4.29Å |
| 1849 | Q | 48.3 | Very low | 64.1 | Low | 166 Ų | 166 | 61 Ų | 61 | 78% | 0.776 | 32% | 0.319 | S | S | * | . | trans | -55.2 | 104.3 | 169.9 | -71.7 | 176.7 | -17.4 | 0 | 0 | 108.5 | E1851 S1852 | Q1849-E1851 VanDerWaalsContact C-N 3.32Å; Q1849-E1851 PolarHBondContact O-N 3.08Å; Q1849-E1851 VanDerWaalsContact O-N 3.13Å; Q1849-S1852 PolarHBondContact O-N 3.13Å; Q1849-S1852 VanDerWaalsContact O-N 3.16Å; Q1849-S1852 PolarHBondContact O-OG 3.17Å | ||
| 1850 | T | 48.9 | Very low | 64.3 | Low | 76.4 Ų | 76.4 | 61.2 Ų | 61.2 | 47% | 0.469 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -57.3 | -28.7 | -166 | 36.1 | 0 | 0 | 0 | 0 | 113.3 | I1845 C1848 S1852 N1854 | I1845-T1850 HydrophobicContact CG2-CG2 3.87Å; C1848-T1850 VanDerWaalsContact C-N 3.32Å; C1848-T1850 WeakPolarHBondContact O-CG2 3.4Å; C1848-T1850 PolarHBondContact O-N 3.11Å; T1850-S1852 PolarHBondContact O-N 3.14Å; T1850-N1854 PolarHBondContact O-N 3.19Å; T1850-N1854 PolarHBondContact O-ND2 3.07Å |
| 1851 | E | 52.8 | Low | 64.6 | Low | 158 Ų | 158 | 60.8 Ų | 60.8 | 74% | 0.738 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -61.4 | -44.8 | 179.9 | -64.5 | 177 | 174.2 | 0 | 0 | 112.2 | Q1849 I1853 N1854 E1855 | Q1849-E1851 VanDerWaalsContact C-N 3.32Å; Q1849-E1851 PolarHBondContact O-N 3.08Å; Q1849-E1851 VanDerWaalsContact O-N 3.13Å; E1851-I1853 VanDerWaalsContact C-N 3.33Å; E1851-I1853 PolarHBondContact O-N 3.09Å; E1851-N1854 PolarHBondContact O-N 3.09Å; E1851-E1855 WeakPolarHBondContact O-CB 3.12Å; E1851-E1855 PolarHBondContact O-N 3.14Å; E1851-E1855 VanDerWaalsContact O-N 3.15Å |
| 1852 | S | 56.5 | Low | 65.1 | Low | 26.4 Ų | 26.4 | 60.7 Ų | 60.7 | 19% | 0.185 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -69.6 | -31.8 | -173.3 | 52 | 0 | 0 | 0 | 0 | 114.4 | I1808 Q1849 T1850 E1855 F1856 | I1808-S1852 VanDerWaalsContact CD1-O 3.27Å; I1808-S1852 WeakPolarHBondContact CD1-O 3.4Å; Q1849-S1852 PolarHBondContact O-N 3.13Å; Q1849-S1852 VanDerWaalsContact O-N 3.16Å; Q1849-S1852 PolarHBondContact O-OG 3.17Å; T1850-S1852 PolarHBondContact O-N 3.14Å; S1852-E1855 PolarHBondContact O-N 3.08Å; S1852-F1856 PolarHBondContact O-N 2.96Å |
| 1853 | I | 60 | Low | 65.8 | Low | 16.2 Ų | 16.2 | 56.3 Ų | 56.3 | 8% | 0.083 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -77 | -37.1 | -179.9 | -63.8 | 176.5 | 0 | 0 | 0 | 110.6 | L1803 Y1838 L1843 C1848 E1851 E1855 F1856 | L1803-I1853 HydrophobicContact CD2-CD1 4.18Å; L1803-I1853 HydrophobicContact CD2-CG1 4.13Å; Y1838-I1853 HydrophobicContact CE2-CG2 4.15Å; L1843-I1853 HydrophobicContact CB-CD1 3.97Å; L1843-I1853 HydrophobicContact CD1-CD1 4.11Å; L1843-I1853 HydrophobicContact CD1-CG1 4.29Å; L1843-I1853 HydrophobicContact CD1-CG2 4.39Å; C1848-I1853 HydrophobicContact CB-CD1 3.58Å; C1848-I1853 VanDerWaalsContact CB-CD1 3.46Å; C1848-I1853 HydrophobicContact CB-CG1 4.29Å; E1851-I1853 VanDerWaalsContact C-N 3.33Å; E1851-I1853 PolarHBondContact O-N 3.09Å; I1853-E1855 VanDerWaalsContact C-N 3.32Å; I1853-E1855 PolarHBondContact O-N 3.32Å; I1853-F1856 VanDerWaalsContact O-CB 3.27Å; I1853-F1856 WeakPolarHBondContact O-CB 3.38Å; I1853-F1856 PolarHBondContact O-N 3.23Å; I1853-F1856 VanDerWaalsContact O-N 3.11Å |
| 1854 | N | 63.8 | Low | 66.9 | Low | 92.6 Ų | 92.6 | 55.4 Ų | 55.4 | 50% | 0.495 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -67.3 | -31.8 | 177.2 | -72.9 | -22.2 | 0 | 0 | 0 | 111.9 | T1850 E1851 F1856 K1970 | T1850-N1854 PolarHBondContact O-N 3.19Å; T1850-N1854 PolarHBondContact O-ND2 3.07Å; E1851-N1854 PolarHBondContact O-N 3.09Å; N1854-F1856 VanDerWaalsContact C-N 3.32Å; N1854-F1856 PolarHBondContact O-N 3.02Å; N1854-K1970 PolarHBondContact OD1-NZ 2.97Å |
| 1855 | E | 70.7 | Confident | 68.3 | Low | 80.8 Ų | 80.8 | 50.6 Ų | 50.6 | 38% | 0.378 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -70.7 | -26 | 174 | -97.7 | -172.9 | 165.1 | 0 | 0 | 113.1 | K1812 E1851 S1852 I1853 S1857 S1858 I1859 | K1812-E1855 WeakPolarHBondContact CE-OE1 3.39Å; K1812-E1855 VanDerWaalsContact CE-OE2 3.26Å; K1812-E1855 WeakPolarHBondContact CE-OE2 3.37Å; K1812-E1855 IonicContact NZ-OE1 3.3Å; K1812-E1855 PolarHBondContact NZ-OE1 3.13Å; K1812-E1855 IonicContact NZ-OE2 3.24Å; K1812-E1855 PolarHBondContact NZ-OE2 3.19Å; E1851-E1855 WeakPolarHBondContact O-CB 3.12Å; E1851-E1855 PolarHBondContact O-N 3.14Å; E1851-E1855 VanDerWaalsContact O-N 3.15Å; S1852-E1855 PolarHBondContact O-N 3.08Å; I1853-E1855 VanDerWaalsContact C-N 3.32Å; I1853-E1855 PolarHBondContact O-N 3.32Å; E1855-S1857 VanDerWaalsContact C-N 3.33Å; E1855-S1857 PolarHBondContact O-N 3.22Å; E1855-S1858 WeakPolarHBondContact CA-OG 3.16Å; E1855-S1858 CarbonylContact O-C 3.45Å; E1855-S1858 WeakPolarHBondContact O-CA 3.37Å; E1855-S1858 WeakPolarHBondContact O-CB 3.49Å; E1855-S1858 PolarHBondContact O-N 3.14Å; E1855-S1858 VanDerWaalsContact O-N 3.08Å; E1855-S1858 PolarHBondContact O-OG 3.37Å; E1855-I1859 HydrophobicContact CB-CD1 3.92Å; E1855-I1859 HydrophobicContact CB-CG1 4.42Å; E1855-I1859 HydrophobicContact CG-CD1 3.54Å; E1855-I1859 HydrophobicContact CG-CG1 4.36Å; E1855-I1859 HydrophobicContact CG-CG2 3.96Å; E1855-I1859 WeakPolarHBondContact O-CB 3.44Å; E1855-I1859 WeakPolarHBondContact O-CD1 3.31Å; E1855-I1859 VanDerWaalsContact O-CG1 3.23Å; E1855-I1859 WeakPolarHBondContact O-CG1 3.35Å; E1855-I1859 WeakPolarHBondContact O-CG2 3.32Å; E1855-I1859 PolarHBondContact O-N 3.35Å; E1855-I1859 VanDerWaalsContact O-N 3.12Å |
| 1856 | F | 80.7 | Confident | 69.7 | Low | 0.4 Ų | 0.4 | 47.8 Ų | 47.8 | 0% | 0.002 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -55 | -47.4 | -173.3 | 171.4 | -103.8 | 0 | 0 | 0 | 113.2 | L1803 I1807 I1808 L1811 V1834 Y1838 S1852 I1853 N1854 S1858 I1859 L1860 L1967 | L1803-F1856 HydrophobicContact CD1-CD2 3.84Å; L1803-F1856 HydrophobicContact CD1-CE2 3.92Å; L1803-F1856 HydrophobicContact CD1-CG 4.3Å; L1803-F1856 HydrophobicContact CD1-CZ 4.36Å; I1807-F1856 HydrophobicContact CG2-CD2 4.31Å; I1807-F1856 HydrophobicContact CG2-CE2 3.66Å; I1807-F1856 HydrophobicContact CG2-CZ 4.46Å; I1808-F1856 HydrophobicContact CD1-CB 4.15Å; I1808-F1856 HydrophobicContact CG1-CB 4.16Å; I1808-F1856 HydrophobicContact CG1-CD2 4.27Å; L1811-F1856 HydrophobicContact CD1-CD2 4.01Å; L1811-F1856 HydrophobicContact CD1-CE2 3.74Å; V1834-F1856 HydrophobicContact CG1-CE2 3.81Å; V1834-F1856 HydrophobicContact CG1-CZ 3.61Å; Y1838-F1856 HydrophobicContact CD1-CD1 4.47Å; Y1838-F1856 HydrophobicContact CD1-CE1 4.23Å; Y1838-F1856 AromaticContact CD2-CD1 3.55Å; Y1838-F1856 HydrophobicContact CD2-CD1 3.55Å; Y1838-F1856 VanDerWaalsContact CD2-CD1 3.45Å; Y1838-F1856 AromaticContact CD2-CE1 3.51Å; Y1838-F1856 HydrophobicContact CD2-CE1 3.51Å; Y1838-F1856 VanDerWaalsContact CD2-CE1 3.45Å; Y1838-F1856 HydrophobicContact CD2-CG 4.34Å; Y1838-F1856 HydrophobicContact CD2-CZ 4.39Å; Y1838-F1856 AromaticContact CE2-CD1 3.78Å; Y1838-F1856 HydrophobicContact CE2-CD1 3.84Å; Y1838-F1856 HydrophobicContact CE2-CE1 4.22Å; Y1838-F1856 HydrophobicContact CE2-CG 4.36Å; Y1838-F1856 AromaticContact CG-CD1 3.91Å; Y1838-F1856 HydrophobicContact CG-CD1 4.13Å; Y1838-F1856 AromaticContact CG-CE1 3.65Å; Y1838-F1856 HydrophobicContact CG-CE1 3.65Å; Y1838-F1856 VanDerWaalsContact CG-CE1 3.47Å; Y1838-F1856 HydrophobicContact CG-CZ 4.4Å; S1852-F1856 PolarHBondContact O-N 2.96Å; I1853-F1856 VanDerWaalsContact O-CB 3.27Å; I1853-F1856 WeakPolarHBondContact O-CB 3.38Å; I1853-F1856 PolarHBondContact O-N 3.23Å; I1853-F1856 VanDerWaalsContact O-N 3.11Å; N1854-F1856 VanDerWaalsContact C-N 3.32Å; N1854-F1856 PolarHBondContact O-N 3.02Å; F1856-S1858 VanDerWaalsContact C-N 3.3Å; F1856-S1858 PolarHBondContact O-N 3.02Å; F1856-I1859 WeakPolarHBondContact O-CG1 3.19Å; F1856-I1859 PolarHBondContact O-N 3.17Å; F1856-I1859 VanDerWaalsContact O-N 3.1Å; F1856-L1860 HydrophobicContact CE1-CD2 4.25Å; F1856-L1860 HydrophobicContact CE2-CB 4.49Å; F1856-L1860 HydrophobicContact CE2-CD1 4.41Å; F1856-L1860 HydrophobicContact CE2-CD2 4.44Å; F1856-L1860 HydrophobicContact CZ-CB 4.49Å; F1856-L1860 HydrophobicContact CZ-CD1 4.33Å; F1856-L1860 HydrophobicContact CZ-CD2 4.03Å; F1856-L1860 HydrophobicContact CZ-CG 4.45Å; F1856-L1860 WeakPolarHBondContact O-CB 3.18Å; F1856-L1860 PolarHBondContact O-N 3.16Å; F1856-L1860 VanDerWaalsContact O-N 3.14Å; F1856-L1967 HydrophobicContact CD1-CD1 3.98Å; F1856-L1967 HydrophobicContact CE1-CD1 3.77Å |
| 1857 | S | 80.5 | Confident | 70.8 | Confident | 0.6 Ų | 0.6 | 48.4 Ų | 48.4 | 0% | 0.004 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -66.5 | -30.9 | -177.9 | -53.8 | 0 | 0 | 0 | 0 | 112.8 | E1855 I1859 L1967 K1970 A1971 | E1855-S1857 VanDerWaalsContact C-N 3.33Å; E1855-S1857 PolarHBondContact O-N 3.22Å; S1857-I1859 VanDerWaalsContact C-N 3.28Å; S1857-L1967 WeakPolarHBondContact OG-CD1 3.34Å; S1857-K1970 VanDerWaalsContact CB-CB 3.45Å; S1857-A1971 WeakPolarHBondContact O-CA 3.46Å; S1857-A1971 VanDerWaalsContact O-CB 3.24Å; S1857-A1971 WeakPolarHBondContact O-CB 3.33Å |
| 1858 | S | 76.7 | Confident | 72.3 | Confident | 27 Ų | 27 | 46.6 Ų | 46.6 | 19% | 0.189 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -80 | -21.7 | 177.6 | 67.6 | 0 | 0 | 0 | 0 | 112.9 | E1855 F1856 A1876 L1877 C1878 Y1879 | E1855-S1858 WeakPolarHBondContact CA-OG 3.16Å; E1855-S1858 CarbonylContact O-C 3.45Å; E1855-S1858 WeakPolarHBondContact O-CA 3.37Å; E1855-S1858 WeakPolarHBondContact O-CB 3.49Å; E1855-S1858 PolarHBondContact O-N 3.14Å; E1855-S1858 VanDerWaalsContact O-N 3.08Å; E1855-S1858 PolarHBondContact O-OG 3.37Å; F1856-S1858 VanDerWaalsContact C-N 3.3Å; F1856-S1858 PolarHBondContact O-N 3.02Å; S1858-A1876 WeakPolarHBondContact O-CB 3.32Å; S1858-L1877 PolarHBondContact O-N 3.16Å; S1858-L1877 VanDerWaalsContact O-N 3.16Å; S1858-C1878 PolarHBondContact O-N 3.29Å; S1858-C1878 VanDerWaalsContact O-N 3.11Å; S1858-C1878 PolarHBondContact O-SG 2.99Å; S1858-C1878 VanDerWaalsContact O-SG 3.36Å; S1858-Y1879 WeakPolarHBondContact O-CE2 3.02Å; S1858-Y1879 PolarHBondContact O-OH 3.37Å |
| 1859 | I | 81.7 | Confident | 73.7 | Confident | 8.2 Ų | 8.2 | 47.4 Ų | 47.4 | 4% | 0.042 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -92.1 | -17.3 | -179.7 | -25.8 | 172.8 | 0 | 0 | 0 | 113.4 | I1808 L1811 K1812 Q1815 E1855 F1856 S1857 P1861 A1876 C1878 Y1879 | I1808-I1859 HydrophobicContact CB-CD1 4.43Å; I1808-I1859 HydrophobicContact CG1-CD1 4.16Å; I1808-I1859 HydrophobicContact CG2-CD1 4.34Å; L1811-I1859 HydrophobicContact CB-CB 4.41Å; L1811-I1859 HydrophobicContact CB-CD1 3.85Å; L1811-I1859 HydrophobicContact CB-CG1 4.25Å; L1811-I1859 HydrophobicContact CB-CG2 3.64Å; L1811-I1859 HydrophobicContact CD1-CD1 3.92Å; L1811-I1859 HydrophobicContact CD1-CG1 3.92Å; L1811-I1859 HydrophobicContact CD1-CG2 3.98Å; L1811-I1859 HydrophobicContact CG-CD1 4.37Å; L1811-I1859 HydrophobicContact CG-CG2 4.38Å; K1812-I1859 HydrophobicContact CG-CD1 4.25Å; Q1815-I1859 VanDerWaalsContact NE2-CA 3.27Å; Q1815-I1859 VanDerWaalsContact NE2-CG2 3.26Å; Q1815-I1859 PolarHBondContact NE2-O 3.26Å; E1855-I1859 HydrophobicContact CB-CD1 3.92Å; E1855-I1859 HydrophobicContact CB-CG1 4.42Å; E1855-I1859 HydrophobicContact CG-CD1 3.54Å; E1855-I1859 HydrophobicContact CG-CG1 4.36Å; E1855-I1859 HydrophobicContact CG-CG2 3.96Å; E1855-I1859 WeakPolarHBondContact O-CB 3.44Å; E1855-I1859 WeakPolarHBondContact O-CD1 3.31Å; E1855-I1859 VanDerWaalsContact O-CG1 3.23Å; E1855-I1859 WeakPolarHBondContact O-CG1 3.35Å; E1855-I1859 WeakPolarHBondContact O-CG2 3.32Å; E1855-I1859 PolarHBondContact O-N 3.35Å; E1855-I1859 VanDerWaalsContact O-N 3.12Å; F1856-I1859 WeakPolarHBondContact O-CG1 3.19Å; F1856-I1859 PolarHBondContact O-N 3.17Å; F1856-I1859 VanDerWaalsContact O-N 3.1Å; S1857-I1859 VanDerWaalsContact C-N 3.28Å; I1859-P1861 VanDerWaalsContact O-CD 3.28Å; I1859-P1861 WeakPolarHBondContact O-CD 3.38Å; I1859-A1876 VanDerWaalsContact C-CB 3.44Å; I1859-A1876 VanDerWaalsContact O-CB 3.24Å; I1859-A1876 WeakPolarHBondContact O-CB 3.41Å; I1859-C1878 HydrophobicContact CG2-CB 4.44Å; I1859-Y1879 WeakPolarHBondContact CA-OH 3.43Å; I1859-Y1879 WeakPolarHBondContact CG2-OH 3.27Å |
| 1860 | L | 85.8 | Confident | 75.3 | Confident | 4.4 Ų | 4.4 | 45.1 Ų | 45.1 | 2% | 0.023 | 24% | 0.243 | C | C | . | . | S | Bend | trans | -79.8 | 121.4 | -176.9 | -176.8 | 66.3 | 0 | 0 | 0 | 112.1 | L1811 Y1831 V1834 A1835 F1856 L1967 | L1811-L1860 HydrophobicContact CD1-CB 4.38Å; L1811-L1860 HydrophobicContact CD1-CD1 4.14Å; L1811-L1860 HydrophobicContact CD2-CD1 4.16Å; Y1831-L1860 HydrophobicContact CD1-CD1 4.18Å; V1834-L1860 HydrophobicContact CB-CD1 4.42Å; V1834-L1860 HydrophobicContact CG1-CD1 3.8Å; V1834-L1860 HydrophobicContact CG1-CD2 4.41Å; A1835-L1860 HydrophobicContact CB-CD2 4.11Å; F1856-L1860 HydrophobicContact CE1-CD2 4.25Å; F1856-L1860 HydrophobicContact CE2-CB 4.49Å; F1856-L1860 HydrophobicContact CE2-CD1 4.41Å; F1856-L1860 HydrophobicContact CE2-CD2 4.44Å; F1856-L1860 HydrophobicContact CZ-CB 4.49Å; F1856-L1860 HydrophobicContact CZ-CD1 4.33Å; F1856-L1860 HydrophobicContact CZ-CD2 4.03Å; F1856-L1860 HydrophobicContact CZ-CG 4.45Å; F1856-L1860 WeakPolarHBondContact O-CB 3.18Å; F1856-L1860 PolarHBondContact O-N 3.16Å; F1856-L1860 VanDerWaalsContact O-N 3.14Å; L1860-L1967 HydrophobicContact CD2-CD1 4.12Å; L1860-L1967 HydrophobicContact CD2-CD2 4.25Å; L1860-L1967 HydrophobicContact CD2-CG 4.44Å |
| 1861 | P | 86.2 | Confident | 77 | Confident | 6 Ų | 6 | 43.6 Ų | 43.6 | 4% | 0.039 | 23% | 0.232 | C | C | . | . | trans | -64.4 | 141.9 | 168.1 | -21.7 | 35.1 | 0 | 0 | 0 | 111.6 | F1820 Y1831 I1859 I1873 L1874 A1876 | F1820-P1861 HydrophobicContact CE1-CB 4.38Å; F1820-P1861 HydrophobicContact CE1-CG 4.09Å; F1820-P1861 HydrophobicContact CZ-CG 4.19Å; Y1831-P1861 HydrophobicContact CD1-CB 4.42Å; Y1831-P1861 HydrophobicContact CD1-CG 4.37Å; Y1831-P1861 HydrophobicContact CD2-CB 4.46Å; Y1831-P1861 HydrophobicContact CE1-CB 4.25Å; Y1831-P1861 HydrophobicContact CE1-CG 3.86Å; Y1831-P1861 HydrophobicContact CE2-CB 4.36Å; Y1831-P1861 HydrophobicContact CE2-CG 4.35Å; I1859-P1861 VanDerWaalsContact O-CD 3.28Å; I1859-P1861 WeakPolarHBondContact O-CD 3.38Å; P1861-I1873 HydrophobicContact CB-CG2 3.72Å; P1861-L1874 WeakPolarHBondContact CA-O 3.34Å; P1861-L1874 WeakPolarHBondContact CB-O 3.41Å; P1861-A1876 HydrophobicContact CG-CB 4.44Å | ||
| 1862 | I | 87.5 | Confident | 78.5 | Confident | 2.4 Ų | 2.4 | 38.2 Ų | 38.2 | 1% | 0.012 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 128.8 | -175.2 | -51.2 | -178.3 | 0 | 0 | 0 | 109.8 | V1864 I1873 L1874 I1889 Y1950 F1968 A1971 V1973 | I1862-V1864 HydrophobicContact CB-CG1 4.48Å; I1862-V1864 HydrophobicContact CG2-CG1 3.95Å; I1862-I1873 WeakPolarHBondContact O-CA 3.29Å; I1862-L1874 PolarHBondContact N-O 3.12Å; I1862-L1874 VanDerWaalsContact N-O 3.13Å; I1862-L1874 PolarHBondContact O-N 3.26Å; I1862-I1889 HydrophobicContact CD1-CD1 4.22Å; I1862-Y1950 HydrophobicContact CG2-CE2 4.45Å; I1862-F1968 HydrophobicContact CG2-CD1 4.29Å; I1862-F1968 HydrophobicContact CG2-CE1 4.35Å; I1862-A1971 HydrophobicContact CD1-CB 3.48Å; I1862-A1971 VanDerWaalsContact CD1-CB 3.46Å; I1862-A1971 WeakPolarHBondContact CD1-O 3.38Å; I1862-A1971 HydrophobicContact CG1-CB 4.15Å; I1862-V1973 HydrophobicContact CD1-CG2 3.41Å; I1862-V1973 VanDerWaalsContact CD1-CG2 3.42Å; I1862-V1973 HydrophobicContact CG2-CG2 4.45Å |
| 1863 | V | 88.2 | Confident | 79.8 | Confident | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 118.7 | 169.2 | -172.6 | 0 | 0 | 0 | 0 | 109.2 | M1828 I1832 N1871 S1872 I1873 S1947 Y1950 | M1828-V1863 HydrophobicContact CB-CG2 4.4Å; M1828-V1863 HydrophobicContact CE-CG1 4.18Å; M1828-V1863 HydrophobicContact CG-CB 4.23Å; M1828-V1863 HydrophobicContact CG-CG1 3.66Å; M1828-V1863 VanDerWaalsContact CG-CG1 3.46Å; M1828-V1863 HydrophobicContact CG-CG2 3.8Å; M1828-V1863 HydrophobicContact SD-CG1 3.72Å; I1832-V1863 HydrophobicContact CD1-CB 4.37Å; I1832-V1863 HydrophobicContact CD1-CG1 4.4Å; I1832-V1863 HydrophobicContact CD1-CG2 4.37Å; I1832-V1863 HydrophobicContact CG1-CB 4.39Å; I1832-V1863 HydrophobicContact CG1-CG2 4.04Å; V1863-N1871 HydrophobicContact CG1-CB 4.22Å; V1863-S1872 CarbonylContact C-O 3.59Å; V1863-S1872 WeakPolarHBondContact CA-O 3.39Å; V1863-I1873 HydrophobicContact CG2-CD1 4.41Å; V1863-I1873 HydrophobicContact CG2-CG1 4.16Å; V1863-S1947 VanDerWaalsContact O-CB 3.31Å; V1863-S1947 WeakPolarHBondContact O-CB 3.29Å; V1863-S1947 PolarHBondContact O-N 3.17Å; V1863-S1947 VanDerWaalsContact O-N 3.13Å; V1863-Y1950 HydrophobicContact CB-CE2 3.9Å; V1863-Y1950 HydrophobicContact CG2-CE2 4.44Å; V1863-Y1950 PolarHBondContact N-OH 3.06Å; V1863-Y1950 VanDerWaalsContact O-CE2 3.29Å; V1863-Y1950 WeakPolarHBondContact O-CE2 3.3Å |
| 1864 | V | 88.4 | Confident | 80.8 | Confident | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 155.3 | -179.4 | -62.1 | 0 | 0 | 0 | 0 | 111.4 | I1862 N1871 S1872 L1874 I1889 Y1944 T1945 | I1862-V1864 HydrophobicContact CB-CG1 4.48Å; I1862-V1864 HydrophobicContact CG2-CG1 3.95Å; V1864-N1871 CarbonylContact O-C 3.57Å; V1864-N1871 VanDerWaalsContact O-CA 3.25Å; V1864-N1871 WeakPolarHBondContact O-CA 3.2Å; V1864-S1872 WeakPolarHBondContact CG2-OG 3.36Å; V1864-S1872 PolarHBondContact N-O 2.96Å; V1864-S1872 PolarHBondContact O-N 3.15Å; V1864-L1874 HydrophobicContact CB-CD1 4.41Å; V1864-L1874 HydrophobicContact CG1-CD1 3.94Å; V1864-L1874 HydrophobicContact CG1-CG 4.35Å; V1864-L1874 HydrophobicContact CG2-CD1 3.78Å; V1864-L1874 HydrophobicContact CG2-CG 3.81Å; V1864-I1889 HydrophobicContact CG1-CB 4.49Å; V1864-I1889 HydrophobicContact CG1-CD1 3.85Å; V1864-I1889 HydrophobicContact CG1-CG1 4.17Å; V1864-I1889 HydrophobicContact CG1-CG2 3.66Å; V1864-Y1944 HydrophobicContact CB-CD1 4.36Å; V1864-Y1944 HydrophobicContact CB-CG 4.29Å; V1864-Y1944 HydrophobicContact CG2-CD1 3.73Å; V1864-Y1944 HydrophobicContact CG2-CD2 4.45Å; V1864-Y1944 HydrophobicContact CG2-CE1 4.33Å; V1864-Y1944 HydrophobicContact CG2-CG 3.83Å; V1864-T1945 CarbonylContact C-O 3.5Å; V1864-T1945 VanDerWaalsContact CA-O 3.23Å; V1864-T1945 WeakPolarHBondContact CA-O 3.33Å; V1864-T1945 WeakPolarHBondContact CB-O 3.36Å |
| 1865 | S | 86.3 | Confident | 81.6 | Confident | 4.2 Ų | 4.2 | 36 Ų | 36 | 3% | 0.029 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 139 | 171.6 | -56.7 | 0 | 0 | 0 | 0 | 110 | E1870 N1871 T1945 S1947 P1948 | S1865-E1870 VanDerWaalsContact CA-O 3.3Å; S1865-E1870 WeakPolarHBondContact CA-O 3.28Å; S1865-N1871 PolarHBondContact OG-OD1 3.14Å; S1865-T1945 PolarHBondContact N-O 3.02Å; S1865-T1945 PolarHBondContact O-N 3.15Å; S1865-T1945 PolarHBondContact O-OG1 3.28Å; S1865-S1947 WeakPolarHBondContact OG-CA 3.37Å; S1865-S1947 WeakPolarHBondContact OG-CB 3.42Å; S1865-S1947 PolarHBondContact OG-OG 2.86Å; S1865-P1948 WeakPolarHBondContact OG-CD 3.39Å |
| 1866 | N | 81.6 | Confident | 82.1 | Confident | 44 Ų | 44 | 32.2 Ų | 32.2 | 24% | 0.235 | 18% | 0.182 | C | C | . | . | trans | -80.4 | 179.9 | 167 | 69.8 | 7.6 | 0 | 0 | 0 | 110.8 | L1868 G1869 E1870 Y1944 | N1866-L1868 PolarHBondContact O-N 3.21Å; N1866-L1868 VanDerWaalsContact O-N 3.17Å; N1866-L1868 WeakPolarHBondContact OD1-CA 3.35Å; N1866-L1868 WeakPolarHBondContact OD1-CB 3.31Å; N1866-L1868 PolarHBondContact OD1-N 3.23Å; N1866-L1868 VanDerWaalsContact OD1-N 3.07Å; N1866-G1869 PolarHBondContact O-N 3.08Å; N1866-G1869 PolarHBondContact OD1-N 3.22Å; N1866-G1869 VanDerWaalsContact OD1-N 3.12Å; N1866-E1870 PolarHBondContact N-O 3.21Å; N1866-E1870 VanDerWaalsContact N-O 3.11Å; N1866-E1870 PolarHBondContact ND2-OE2 3.09Å; N1866-E1870 WeakPolarHBondContact OD1-CB 3.36Å; N1866-E1870 PolarHBondContact OD1-N 3.16Å; N1866-E1870 PolarHBondContact OD1-O 3.08Å; N1866-Y1944 HydrophobicContact CB-CD1 4.17Å; N1866-Y1944 HydrophobicContact CB-CE1 4.25Å | ||
| 1867 | K | 73.3 | Confident | 81.9 | Confident | 101.4 Ų | 101.4 | 32.8 Ų | 32.8 | 44% | 0.441 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | -29.6 | 177.5 | -173.2 | 177.6 | 179.1 | 174.6 | 0 | 113.4 | G1869 I1934 D1935 I1937 | K1867-G1869 VanDerWaalsContact C-N 3.29Å; K1867-G1869 PolarHBondContact O-N 3.29Å; K1867-I1934 VanDerWaalsContact CE-O 3.23Å; K1867-I1934 WeakPolarHBondContact CE-O 3.36Å; K1867-I1934 PolarHBondContact NZ-O 3.33Å; K1867-D1935 PolarHBondContact NZ-O 3.02Å; K1867-I1937 HydrophobicContact CB-CG2 4.46Å; K1867-I1937 HydrophobicContact CD-CG2 4.34Å; K1867-I1937 VanDerWaalsContact CD-O 3.24Å; K1867-I1937 WeakPolarHBondContact CD-O 3.41Å; K1867-I1937 VanDerWaalsContact CE-O 3.29Å; K1867-I1937 WeakPolarHBondContact CE-O 3.39Å; K1867-I1937 PolarHBondContact NZ-O 3.35Å |
| 1868 | L | 74.2 | Confident | 81.5 | Confident | 135.4 Ų | 135.4 | 35 Ų | 35 | 71% | 0.709 | 20% | 0.2 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.6 | -2.6 | 177.8 | -58.2 | 175.9 | 0 | 0 | 0 | 113.1 | N1866 E1870 | N1866-L1868 PolarHBondContact O-N 3.21Å; N1866-L1868 VanDerWaalsContact O-N 3.17Å; N1866-L1868 WeakPolarHBondContact OD1-CA 3.35Å; N1866-L1868 WeakPolarHBondContact OD1-CB 3.31Å; N1866-L1868 PolarHBondContact OD1-N 3.23Å; N1866-L1868 VanDerWaalsContact OD1-N 3.07Å; L1868-E1870 VanDerWaalsContact C-N 3.28Å; L1868-E1870 HydrophobicContact CB-CG 4.12Å; L1868-E1870 PolarHBondContact O-N 3.12Å |
| 1869 | G | 75.2 | Confident | 80.9 | Confident | 45.8 Ų | 45.8 | 38.5 Ų | 38.5 | 47% | 0.472 | 21% | 0.209 | S | C | . | . | trans | 79.1 | 6.8 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | N1866 K1867 | N1866-G1869 PolarHBondContact O-N 3.08Å; N1866-G1869 PolarHBondContact OD1-N 3.22Å; N1866-G1869 VanDerWaalsContact OD1-N 3.12Å; K1867-G1869 VanDerWaalsContact C-N 3.29Å; K1867-G1869 PolarHBondContact O-N 3.29Å | ||
| 1870 | E | 81.4 | Confident | 80.3 | Confident | 117.6 Ų | 117.6 | 40.4 Ų | 40.4 | 55% | 0.55 | 22% | 0.218 | S | C | . | . | trans | -74.2 | 131.5 | 176.6 | -55.3 | 174.3 | 144.4 | 0 | 0 | 109.7 | S1865 N1866 L1868 | S1865-E1870 VanDerWaalsContact CA-O 3.3Å; S1865-E1870 WeakPolarHBondContact CA-O 3.28Å; N1866-E1870 PolarHBondContact N-O 3.21Å; N1866-E1870 VanDerWaalsContact N-O 3.11Å; N1866-E1870 PolarHBondContact ND2-OE2 3.09Å; N1866-E1870 WeakPolarHBondContact OD1-CB 3.36Å; N1866-E1870 PolarHBondContact OD1-N 3.16Å; N1866-E1870 PolarHBondContact OD1-O 3.08Å; L1868-E1870 VanDerWaalsContact C-N 3.28Å; L1868-E1870 HydrophobicContact CB-CG 4.12Å; L1868-E1870 PolarHBondContact O-N 3.12Å | ||
| 1871 | N | 85 | Confident | 79.3 | Confident | 45 Ų | 45 | 49.1 Ų | 49.1 | 24% | 0.241 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 134.9 | -176.6 | -64.9 | -57.6 | 0 | 0 | 0 | 111.2 | M1828 V1863 V1864 S1865 S1947 K1949 | M1828-N1871 HydrophobicContact CE-CB 3.74Å; M1828-N1871 WeakPolarHBondContact CE-O 3.33Å; M1828-N1871 HydrophobicContact SD-CB 3.69Å; M1828-N1871 VanDerWaalsContact SD-CB 3.58Å; M1828-N1871 WeakPolarHBondContact SD-CB 3.45Å; V1863-N1871 HydrophobicContact CG1-CB 4.22Å; V1864-N1871 CarbonylContact O-C 3.57Å; V1864-N1871 VanDerWaalsContact O-CA 3.25Å; V1864-N1871 WeakPolarHBondContact O-CA 3.2Å; S1865-N1871 PolarHBondContact OG-OD1 3.14Å; N1871-S1947 PolarHBondContact ND2-OG 3.04Å; N1871-S1947 WeakPolarHBondContact OD1-CB 3.2Å; N1871-S1947 PolarHBondContact OD1-OG 3.03Å; N1871-K1949 WeakPolarHBondContact ND2-CE 3.19Å; N1871-K1949 PolarHBondContact ND2-NZ 3.1Å |
| 1872 | S | 84 | Confident | 78.3 | Confident | 42.8 Ų | 42.8 | 49.2 Ų | 49.2 | 30% | 0.299 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 168.2 | 171.5 | 61.1 | 0 | 0 | 0 | 0 | 110.1 | V1863 V1864 | V1863-S1872 CarbonylContact C-O 3.59Å; V1863-S1872 WeakPolarHBondContact CA-O 3.39Å; V1864-S1872 WeakPolarHBondContact CG2-OG 3.36Å; V1864-S1872 PolarHBondContact N-O 2.96Å; V1864-S1872 PolarHBondContact O-N 3.15Å |
| 1873 | I | 84 | Confident | 77.5 | Confident | 20 Ų | 20 | 52.2 Ų | 52.2 | 10% | 0.103 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 129.1 | 176.6 | -64.6 | 174.2 | 0 | 0 | 0 | 108.7 | F1820 V1823 M1828 Y1831 P1861 I1862 V1863 | F1820-I1873 HydrophobicContact CD1-CG2 4.13Å; F1820-I1873 HydrophobicContact CE1-CG2 4.32Å; V1823-I1873 HydrophobicContact CB-CD1 4.02Å; V1823-I1873 HydrophobicContact CB-CG1 4.5Å; V1823-I1873 HydrophobicContact CG1-CD1 3.23Å; V1823-I1873 HydrophobicContact CG1-CG1 3.95Å; V1823-I1873 HydrophobicContact CG2-CB 4.34Å; V1823-I1873 HydrophobicContact CG2-CD1 3.98Å; V1823-I1873 HydrophobicContact CG2-CG1 4.36Å; M1828-I1873 HydrophobicContact CB-CD1 4.15Å; M1828-I1873 HydrophobicContact CE-CD1 4.27Å; M1828-I1873 HydrophobicContact CE-CG1 4.12Å; M1828-I1873 HydrophobicContact CG-CD1 3.85Å; M1828-I1873 HydrophobicContact CG-CG1 4.11Å; Y1831-I1873 HydrophobicContact CD2-CD1 3.7Å; Y1831-I1873 HydrophobicContact CD2-CG1 4.37Å; Y1831-I1873 HydrophobicContact CE2-CD1 3.78Å; Y1831-I1873 HydrophobicContact CE2-CG2 4.37Å; P1861-I1873 HydrophobicContact CB-CG2 3.72Å; I1862-I1873 WeakPolarHBondContact O-CA 3.29Å; V1863-I1873 HydrophobicContact CG2-CD1 4.41Å; V1863-I1873 HydrophobicContact CG2-CG1 4.16Å |
| 1874 | L | 82.3 | Confident | 76.6 | Confident | 31.2 Ų | 31.2 | 55 Ų | 55 | 16% | 0.163 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 145.9 | 169.7 | -65.4 | 176.9 | 0 | 0 | 0 | 110 | P1861 I1862 V1864 I1889 Y1944 | P1861-L1874 WeakPolarHBondContact CA-O 3.34Å; P1861-L1874 WeakPolarHBondContact CB-O 3.41Å; I1862-L1874 PolarHBondContact N-O 3.12Å; I1862-L1874 VanDerWaalsContact N-O 3.13Å; I1862-L1874 PolarHBondContact O-N 3.26Å; V1864-L1874 HydrophobicContact CB-CD1 4.41Å; V1864-L1874 HydrophobicContact CG1-CD1 3.94Å; V1864-L1874 HydrophobicContact CG1-CG 4.35Å; V1864-L1874 HydrophobicContact CG2-CD1 3.78Å; V1864-L1874 HydrophobicContact CG2-CG 3.81Å; L1874-I1889 HydrophobicContact CB-CD1 4.24Å; L1874-I1889 HydrophobicContact CD1-CD1 3.58Å; L1874-I1889 VanDerWaalsContact CD1-CD1 3.42Å; L1874-I1889 HydrophobicContact CD1-CG1 3.86Å; L1874-Y1944 HydrophobicContact CD1-CD2 3.74Å; L1874-Y1944 HydrophobicContact CD1-CE2 4.09Å; L1874-Y1944 HydrophobicContact CD1-CG 4.28Å; L1874-Y1944 HydrophobicContact CD2-CE2 4.19Å |
| 1875 | P | 80.5 | Confident | 76 | Confident | 39 Ų | 39 | 56.2 Ų | 56.2 | 25% | 0.253 | 29% | 0.292 | S | S | . | . | P | Polyproline II helix | trans | -61.8 | 160.1 | 178.2 | 27.4 | -34.7 | 0 | 0 | 0 | 111.4 | F1820 Y1879 R1885 | F1820-P1875 HydrophobicContact CE2-CB 4.37Å; F1820-P1875 HydrophobicContact CZ-CB 4.31Å; P1875-Y1879 HydrophobicContact CB-CD2 4.25Å; P1875-R1885 VanDerWaalsContact O-CZ 3.3Å; P1875-R1885 PolarHBondContact O-NH1 3.07Å; P1875-R1885 PolarHBondContact O-NH2 3.1Å; P1875-R1885 VanDerWaalsContact O-NH2 3.07Å |
| 1876 | A | 81.3 | Confident | 75.3 | Confident | 1.2 Ų | 1.2 | 63.5 Ų | 63.5 | 1% | 0.01 | 33% | 0.33 | C | S | . | . | P | Polyproline II helix | trans | -64 | 146.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | S1858 I1859 P1861 C1878 Y1879 A1971 | S1858-A1876 WeakPolarHBondContact O-CB 3.32Å; I1859-A1876 VanDerWaalsContact C-CB 3.44Å; I1859-A1876 VanDerWaalsContact O-CB 3.24Å; I1859-A1876 WeakPolarHBondContact O-CB 3.41Å; P1861-A1876 HydrophobicContact CG-CB 4.44Å; A1876-C1878 VanDerWaalsContact C-N 3.28Å; A1876-C1878 VanDerWaalsContact CB-SG 3.55Å; A1876-C1878 PolarHBondContact O-N 3.2Å; A1876-C1878 VanDerWaalsContact O-N 3.12Å; A1876-Y1879 HydrophobicContact CB-CD2 4.11Å; A1876-Y1879 HydrophobicContact CB-CE2 4.15Å; A1876-Y1879 WeakPolarHBondContact O-CB 3.04Å; A1876-Y1879 WeakPolarHBondContact O-CD2 3.46Å; A1876-Y1879 PolarHBondContact O-N 3.18Å; A1876-Y1879 VanDerWaalsContact O-N 3.14Å; A1876-A1971 HydrophobicContact CB-CB 4.19Å |
| 1877 | L | 76.6 | Confident | 75.1 | Confident | 13.2 Ų | 13.2 | 65.4 Ų | 65.4 | 7% | 0.069 | 34% | 0.336 | C | S | . | . | G | 310 helix | trans | -60.5 | -30 | -173.5 | -170.4 | 67.2 | 0 | 0 | 0 | 113 | S1858 Y1879 E1880 L1883 R1885 K1970 A1971 | S1858-L1877 PolarHBondContact O-N 3.16Å; S1858-L1877 VanDerWaalsContact O-N 3.16Å; L1877-Y1879 PolarHBondContact O-N 3.04Å; L1877-Y1879 VanDerWaalsContact O-N 3.1Å; L1877-E1880 HydrophobicContact CD1-CB 4.37Å; L1877-E1880 HydrophobicContact CD1-CG 4.43Å; L1877-E1880 WeakPolarHBondContact CD1-OE2 3.41Å; L1877-E1880 WeakPolarHBondContact O-CB 3.41Å; L1877-E1880 PolarHBondContact O-N 3.08Å; L1877-L1883 VanDerWaalsContact CD1-O 3.3Å; L1877-L1883 WeakPolarHBondContact CD1-O 3.35Å; L1877-L1883 HydrophobicContact CD2-CB 4.21Å; L1877-L1883 WeakPolarHBondContact CD2-O 3.43Å; L1877-L1883 HydrophobicContact CG-CB 4.18Å; L1877-L1883 HydrophobicContact CG-CD2 4.43Å; L1877-L1883 WeakPolarHBondContact CG-O 3.33Å; L1877-L1883 WeakPolarHBondContact O-CD2 3.32Å; L1877-R1885 HydrophobicContact CD1-CB 4.4Å; L1877-R1885 HydrophobicContact CD1-CG 3.71Å; L1877-R1885 VanDerWaalsContact CD1-CG 3.45Å; L1877-K1970 WeakPolarHBondContact CD2-O 3.37Å; L1877-A1971 PolarHBondContact N-O 3.34Å |
| 1878 | C | 70.9 | Confident | 75.5 | Confident | 46.6 Ų | 46.6 | 62.1 Ų | 62.1 | 32% | 0.315 | 33% | 0.325 | S | S | . | . | G | 310 helix | trans | -61.5 | -12 | 177.6 | 48.1 | 0 | 0 | 0 | 0 | 114.7 | Q1815 S1858 I1859 A1876 L1883 K1970 | Q1815-C1878 PolarHBondContact NE2-SG 3.27Å; Q1815-C1878 VanDerWaalsContact NE2-SG 3.39Å; S1858-C1878 PolarHBondContact O-N 3.29Å; S1858-C1878 VanDerWaalsContact O-N 3.11Å; S1858-C1878 PolarHBondContact O-SG 2.99Å; S1858-C1878 VanDerWaalsContact O-SG 3.36Å; I1859-C1878 HydrophobicContact CG2-CB 4.44Å; A1876-C1878 VanDerWaalsContact C-N 3.28Å; A1876-C1878 VanDerWaalsContact CB-SG 3.55Å; A1876-C1878 PolarHBondContact O-N 3.2Å; A1876-C1878 VanDerWaalsContact O-N 3.12Å; C1878-L1883 HydrophobicContact CB-CD2 4.49Å; C1878-K1970 PolarHBondContact SG-O 3.03Å; C1878-K1970 VanDerWaalsContact SG-O 3.38Å |
| 1879 | Y | 65.5 | Low | 76.1 | Confident | 99.6 Ų | 99.6 | 55.6 Ų | 55.6 | 39% | 0.391 | 29% | 0.291 | S | S | . | . | G | 310 helix | trans | -93.8 | -14.5 | 173.6 | -69.1 | -76.6 | 0 | 0 | 0 | 113.9 | Q1815 F1820 S1858 I1859 P1875 A1876 L1877 | Q1815-Y1879 VanDerWaalsContact C-OH 3.31Å; Q1815-Y1879 WeakPolarHBondContact CA-OH 3.48Å; Q1815-Y1879 HydrophobicContact CB-CE1 4.13Å; Q1815-Y1879 HydrophobicContact CB-CE2 4.19Å; Q1815-Y1879 VanDerWaalsContact CB-OH 3.25Å; Q1815-Y1879 WeakPolarHBondContact CB-OH 3.28Å; Q1815-Y1879 VanDerWaalsContact CD-CZ 3.49Å; Q1815-Y1879 HydrophobicContact CG-CE1 4.2Å; Q1815-Y1879 HydrophobicContact CG-CE2 3.81Å; Q1815-Y1879 WeakPolarHBondContact CG-OH 3.34Å; Q1815-Y1879 PolarHBondContact NE2-OH 2.85Å; Q1815-Y1879 PolarHBondContact O-OH 3.26Å; Q1815-Y1879 PolarHBondContact OE1-OH 2.99Å; F1820-Y1879 HydrophobicContact CE2-CD2 4.44Å; F1820-Y1879 AromaticContact CE2-CE2 3.61Å; F1820-Y1879 HydrophobicContact CE2-CE2 3.61Å; F1820-Y1879 AromaticContact CE2-CZ 3.74Å; F1820-Y1879 WeakPolarHBondContact CE2-OH 3.44Å; F1820-Y1879 AromaticContact CZ-CE2 3.73Å; F1820-Y1879 HydrophobicContact CZ-CE2 3.73Å; S1858-Y1879 WeakPolarHBondContact O-CE2 3.02Å; S1858-Y1879 PolarHBondContact O-OH 3.37Å; I1859-Y1879 WeakPolarHBondContact CA-OH 3.43Å; I1859-Y1879 WeakPolarHBondContact CG2-OH 3.27Å; P1875-Y1879 HydrophobicContact CB-CD2 4.25Å; A1876-Y1879 HydrophobicContact CB-CD2 4.11Å; A1876-Y1879 HydrophobicContact CB-CE2 4.15Å; A1876-Y1879 WeakPolarHBondContact O-CB 3.04Å; A1876-Y1879 WeakPolarHBondContact O-CD2 3.46Å; A1876-Y1879 PolarHBondContact O-N 3.18Å; A1876-Y1879 VanDerWaalsContact O-N 3.14Å; L1877-Y1879 PolarHBondContact O-N 3.04Å; L1877-Y1879 VanDerWaalsContact O-N 3.1Å |
| 1880 | E | 68 | Low | 76.7 | Confident | 48.4 Ų | 48.4 | 53.4 Ų | 53.4 | 23% | 0.226 | 27% | 0.269 | C | S | . | . | S | Bend | trans | -83.5 | 138.8 | -179.6 | -60.6 | -89.5 | -171.9 | 0 | 0 | 109.9 | L1877 G1882 L1883 Q1884 R1885 | L1877-E1880 HydrophobicContact CD1-CB 4.37Å; L1877-E1880 HydrophobicContact CD1-CG 4.43Å; L1877-E1880 WeakPolarHBondContact CD1-OE2 3.41Å; L1877-E1880 WeakPolarHBondContact O-CB 3.41Å; L1877-E1880 PolarHBondContact O-N 3.08Å; E1880-G1882 PolarHBondContact O-N 3.27Å; E1880-G1882 VanDerWaalsContact O-N 3.09Å; E1880-L1883 PolarHBondContact O-N 3Å; E1880-L1883 VanDerWaalsContact O-N 3.12Å; E1880-Q1884 VanDerWaalsContact CB-O 3.26Å; E1880-Q1884 WeakPolarHBondContact CB-O 3.25Å; E1880-Q1884 VanDerWaalsContact OE2-O 3.06Å; E1880-R1885 HydrophobicContact CG-CG 4.3Å; E1880-R1885 IonicContact OE1-NH1 3.56Å; E1880-R1885 PolarHBondContact OE1-NH1 2.92Å; E1880-R1885 VanDerWaalsContact OE2-CA 3.24Å; E1880-R1885 WeakPolarHBondContact OE2-CA 3.37Å; E1880-R1885 WeakPolarHBondContact OE2-CG 3.35Å; E1880-R1885 PolarHBondContact OE2-N 3.44Å |
| 1881 | K | 64.7 | Low | 77 | Confident | 187 Ų | 187 | 48.3 Ų | 48.3 | 81% | 0.813 | 25% | 0.245 | S | C | * | . | G | 310 helix | trans | -63.8 | 126.4 | 179.6 | -70.2 | 179.5 | -178.9 | 173.5 | 0 | 109.6 | L1883 Q1884 | K1881-L1883 PolarHBondContact O-N 3.13Å; K1881-Q1884 PolarHBondContact O-N 3.11Å |
| 1882 | G | 65.7 | Low | 76.8 | Confident | 9 Ų | 9 | 47.3 Ų | 47.3 | 9% | 0.093 | 24% | 0.241 | C | C | . | . | G | 310 helix | trans | 72.6 | 15.2 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | E1880 Q1884 K2010 | E1880-G1882 PolarHBondContact O-N 3.27Å; E1880-G1882 VanDerWaalsContact O-N 3.09Å; G1882-Q1884 VanDerWaalsContact C-N 3.26Å; G1882-Q1884 WeakPolarHBondContact O-CG 3.47Å; G1882-Q1884 PolarHBondContact O-N 3.09Å; G1882-Q1884 VanDerWaalsContact O-N 3.1Å; G1882-Q1884 PolarHBondContact O-NE2 3.37Å; G1882-K2010 VanDerWaalsContact CA-O 3.24Å; G1882-K2010 WeakPolarHBondContact CA-O 3.31Å; G1882-K2010 PolarHBondContact N-O 3.43Å |
| 1883 | L | 69.5 | Low | 76.5 | Confident | 65.4 Ų | 65.4 | 45.8 Ų | 45.8 | 34% | 0.342 | 23% | 0.23 | S | C | . | . | G | 310 helix | trans | 55.2 | 35.2 | -175.5 | -57.1 | 174.1 | 0 | 0 | 0 | 112.8 | L1877 C1878 E1880 K1881 D2011 | L1877-L1883 VanDerWaalsContact CD1-O 3.3Å; L1877-L1883 WeakPolarHBondContact CD1-O 3.35Å; L1877-L1883 HydrophobicContact CD2-CB 4.21Å; L1877-L1883 WeakPolarHBondContact CD2-O 3.43Å; L1877-L1883 HydrophobicContact CG-CB 4.18Å; L1877-L1883 HydrophobicContact CG-CD2 4.43Å; L1877-L1883 WeakPolarHBondContact CG-O 3.33Å; L1877-L1883 WeakPolarHBondContact O-CD2 3.32Å; C1878-L1883 HydrophobicContact CB-CD2 4.49Å; E1880-L1883 PolarHBondContact O-N 3Å; E1880-L1883 VanDerWaalsContact O-N 3.12Å; K1881-L1883 PolarHBondContact O-N 3.13Å; L1883-D2011 HydrophobicContact CD1-CB 3.88Å; L1883-D2011 WeakPolarHBondContact CD1-OD1 3.26Å |
| 1884 | Q | 70.5 | Confident | 75.9 | Confident | 57.8 Ų | 57.8 | 49.1 Ų | 49.1 | 27% | 0.27 | 24% | 0.241 | S | C | . | . | trans | -129.3 | 131.3 | -178.9 | -107.8 | -172 | 7.8 | 0 | 0 | 111 | E1880 K1881 G1882 K1981 I1982 I2013 | E1880-Q1884 VanDerWaalsContact CB-O 3.26Å; E1880-Q1884 WeakPolarHBondContact CB-O 3.25Å; E1880-Q1884 VanDerWaalsContact OE2-O 3.06Å; K1881-Q1884 PolarHBondContact O-N 3.11Å; G1882-Q1884 VanDerWaalsContact C-N 3.26Å; G1882-Q1884 WeakPolarHBondContact O-CG 3.47Å; G1882-Q1884 PolarHBondContact O-N 3.09Å; G1882-Q1884 VanDerWaalsContact O-N 3.1Å; G1882-Q1884 PolarHBondContact O-NE2 3.37Å; Q1884-K1981 PolarHBondContact NE2-O 3.39Å; Q1884-I1982 HydrophobicContact CB-CD1 4.06Å; Q1884-I1982 HydrophobicContact CG-CD1 4.39Å; Q1884-I1982 HydrophobicContact CG-CG1 4.4Å; Q1884-I1982 VanDerWaalsContact OE1-CD1 3.28Å; Q1884-I1982 VanDerWaalsContact OE1-CG1 3.28Å; Q1884-I2013 HydrophobicContact CB-CD1 4.32Å; Q1884-I2013 VanDerWaalsContact OE1-CD1 3.32Å | ||
| 1885 | R | 76 | Confident | 74.9 | Confident | 25.8 Ų | 25.8 | 50.6 Ų | 50.6 | 10% | 0.097 | 26% | 0.255 | C | S | . | . | trans | -82 | 133.4 | 176.8 | -61.2 | -172.5 | 173.6 | -86.3 | 1.6 | 110.7 | P1875 L1877 E1880 K1887 I1889 A1971 G1972 | P1875-R1885 VanDerWaalsContact O-CZ 3.3Å; P1875-R1885 PolarHBondContact O-NH1 3.07Å; P1875-R1885 PolarHBondContact O-NH2 3.1Å; P1875-R1885 VanDerWaalsContact O-NH2 3.07Å; L1877-R1885 HydrophobicContact CD1-CB 4.4Å; L1877-R1885 HydrophobicContact CD1-CG 3.71Å; L1877-R1885 VanDerWaalsContact CD1-CG 3.45Å; E1880-R1885 HydrophobicContact CG-CG 4.3Å; E1880-R1885 IonicContact OE1-NH1 3.56Å; E1880-R1885 PolarHBondContact OE1-NH1 2.92Å; E1880-R1885 VanDerWaalsContact OE2-CA 3.24Å; E1880-R1885 WeakPolarHBondContact OE2-CA 3.37Å; E1880-R1885 WeakPolarHBondContact OE2-CG 3.35Å; E1880-R1885 PolarHBondContact OE2-N 3.44Å; R1885-K1887 VanDerWaalsContact C-N 3.28Å; R1885-K1887 WeakPolarHBondContact CB-O 3.27Å; R1885-K1887 PolarHBondContact O-N 3.12Å; R1885-K1887 VanDerWaalsContact O-N 3.08Å; R1885-I1889 VanDerWaalsContact CD-CD1 3.48Å; R1885-I1889 VanDerWaalsContact NE-CD1 3.33Å; R1885-I1889 VanDerWaalsContact NH1-CD1 3.33Å; R1885-A1971 PolarHBondContact NE-O 3.21Å; R1885-A1971 VanDerWaalsContact NE-O 3.14Å; R1885-A1971 PolarHBondContact NH1-O 3.06Å; R1885-A1971 PolarHBondContact NH2-O 3.02Å; R1885-G1972 PolarHBondContact NH1-O 2.94Å | ||
| 1886 | D | 70.4 | Confident | 74 | Confident | 157.2 Ų | 157.2 | 51.4 Ų | 51.4 | 84% | 0.841 | 25% | 0.253 | S | S | * | . | S | Bend | trans | -60.2 | -32.2 | 173.2 | -74.4 | -18.2 | 0 | 0 | 0 | 112.5 | ||
| 1887 | K | 77.5 | Confident | 73.1 | Confident | 84.2 Ų | 84.2 | 51.9 Ų | 51.9 | 37% | 0.366 | 26% | 0.256 | S | S | . | . | S | Bend | trans | -116.3 | 123.8 | 178.6 | -64.6 | -177.8 | 176.5 | -173.6 | 0 | 110.1 | R1885 I1889 C1942 Y1944 | R1885-K1887 VanDerWaalsContact C-N 3.28Å; R1885-K1887 WeakPolarHBondContact CB-O 3.27Å; R1885-K1887 PolarHBondContact O-N 3.12Å; R1885-K1887 VanDerWaalsContact O-N 3.08Å; K1887-I1889 PolarHBondContact O-N 2.85Å; K1887-C1942 VanDerWaalsContact CA-O 3.31Å; K1887-C1942 WeakPolarHBondContact CA-O 3.38Å; K1887-C1942 WeakPolarHBondContact CB-O 3.44Å; K1887-C1942 HydrophobicContact CD-CB 3.93Å; K1887-C1942 HydrophobicContact CG-CB 3.99Å; K1887-Y1944 HydrophobicContact CB-CD2 4.14Å; K1887-Y1944 HydrophobicContact CB-CE2 4.07Å; K1887-Y1944 HydrophobicContact CD-CD2 4.42Å; K1887-Y1944 HydrophobicContact CD-CE2 3.58Å; K1887-Y1944 HydrophobicContact CG-CE2 4.38Å |
| 1888 | P | 82.3 | Confident | 72.1 | Confident | 31 Ų | 31 | 53.1 Ų | 53.1 | 20% | 0.201 | 26% | 0.262 | C | S | . | . | trans | -66.6 | 136.7 | -179.6 | 27.5 | -34.3 | 0 | 0 | 0 | 111.2 | C1942 I1943 Y1944 P2058 L2062 | P1888-C1942 WeakPolarHBondContact CD-O 3.35Å; P1888-I1943 HydrophobicContact CG-CB 4.36Å; P1888-I1943 HydrophobicContact CG-CG1 4.17Å; P1888-I1943 HydrophobicContact CG-CG2 3.96Å; P1888-Y1944 PolarHBondContact O-N 3.11Å; P1888-Y1944 VanDerWaalsContact O-N 3.12Å; P1888-P2058 HydrophobicContact CB-CB 3.76Å; P1888-P2058 HydrophobicContact CB-CG 4.25Å; P1888-P2058 HydrophobicContact CG-CB 4.05Å; P1888-L2062 HydrophobicContact CB-CD1 4.38Å; P1888-L2062 HydrophobicContact CG-CD1 4.11Å | ||
| 1889 | I | 87.1 | Confident | 71 | Confident | 0.4 Ų | 0.4 | 53.6 Ų | 53.6 | 0% | 0.002 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 122.1 | 170.1 | -50.1 | 172.3 | 0 | 0 | 0 | 107.2 | I1862 V1864 L1874 R1885 K1887 Y1944 V1946 V1973 C1974 | I1862-I1889 HydrophobicContact CD1-CD1 4.22Å; V1864-I1889 HydrophobicContact CG1-CB 4.49Å; V1864-I1889 HydrophobicContact CG1-CD1 3.85Å; V1864-I1889 HydrophobicContact CG1-CG1 4.17Å; V1864-I1889 HydrophobicContact CG1-CG2 3.66Å; L1874-I1889 HydrophobicContact CB-CD1 4.24Å; L1874-I1889 HydrophobicContact CD1-CD1 3.58Å; L1874-I1889 VanDerWaalsContact CD1-CD1 3.42Å; L1874-I1889 HydrophobicContact CD1-CG1 3.86Å; R1885-I1889 VanDerWaalsContact CD-CD1 3.48Å; R1885-I1889 VanDerWaalsContact NE-CD1 3.33Å; R1885-I1889 VanDerWaalsContact NH1-CD1 3.33Å; K1887-I1889 PolarHBondContact O-N 2.85Å; I1889-Y1944 CarbonylContact C-O 3.53Å; I1889-Y1944 VanDerWaalsContact CA-O 3.3Å; I1889-Y1944 WeakPolarHBondContact CA-O 3.35Å; I1889-V1946 HydrophobicContact CG2-CG2 3.91Å; I1889-V1973 HydrophobicContact CB-CG1 4.23Å; I1889-V1973 HydrophobicContact CB-CG2 4.25Å; I1889-V1973 HydrophobicContact CD1-CG2 4.37Å; I1889-V1973 HydrophobicContact CG2-CG1 4.01Å; I1889-V1973 HydrophobicContact CG2-CG2 4.15Å; I1889-V1973 VanDerWaalsContact O-CG1 3.25Å; I1889-V1973 WeakPolarHBondContact O-CG1 3.35Å; I1889-C1974 PolarHBondContact O-N 2.98Å; I1889-C1974 PolarHBondContact O-SG 3.13Å |
| 1890 | I | 87.4 | Confident | 70 | Confident | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 127.2 | 178 | -52.6 | -179.9 | 0 | 0 | 0 | 110.1 | P1892 F1930 L1933 I1943 Y1944 T1945 V1946 C1974 L1976 L2062 | I1890-P1892 WeakPolarHBondContact O-CD 3.3Å; I1890-F1930 HydrophobicContact CB-CE2 4.27Å; I1890-F1930 HydrophobicContact CG2-CD2 4.15Å; I1890-F1930 HydrophobicContact CG2-CE2 3.63Å; I1890-L1933 HydrophobicContact CD1-CD2 3.7Å; I1890-L1933 VanDerWaalsContact CD1-CD2 3.43Å; I1890-I1943 HydrophobicContact CB-CD1 4.23Å; I1890-I1943 HydrophobicContact CD1-CD1 3.63Å; I1890-I1943 HydrophobicContact CD1-CG1 4.49Å; I1890-I1943 HydrophobicContact CD1-CG2 3.83Å; I1890-I1943 HydrophobicContact CG1-CD1 3.43Å; I1890-I1943 VanDerWaalsContact CG1-CD1 3.43Å; I1890-I1943 HydrophobicContact CG1-CG1 4.35Å; I1890-I1943 HydrophobicContact CG1-CG2 4.09Å; I1890-Y1944 PolarHBondContact N-O 3.31Å; I1890-T1945 CarbonylContact O-C 3.53Å; I1890-T1945 VanDerWaalsContact O-CA 3.29Å; I1890-T1945 WeakPolarHBondContact O-CA 3.34Å; I1890-V1946 PolarHBondContact O-N 3.2Å; I1890-C1974 CarbonylContact C-O 3.41Å; I1890-C1974 VanDerWaalsContact CA-O 3.29Å; I1890-C1974 WeakPolarHBondContact CA-O 3.4Å; I1890-L1976 HydrophobicContact CD1-CD1 4.36Å; I1890-L2062 HydrophobicContact CD1-CD1 4.14Å |
| 1891 | L | 86.9 | Confident | 68.6 | Low | 10 Ų | 10 | 55.7 Ų | 55.7 | 5% | 0.052 | 30% | 0.304 | C | S | . | . | P | Polyproline II helix | trans | -76.8 | 119.5 | 167.1 | -178 | 62.8 | 0 | 0 | 0 | 108.6 | Y1896 T1897 V1946 F1951 Y1965 F1968 V1973 C1974 T1975 | L1891-Y1896 HydrophobicContact CD2-CE2 4.47Å; L1891-T1897 HydrophobicContact CD2-CG2 3.74Å; L1891-T1897 VanDerWaalsContact CD2-CG2 3.4Å; L1891-T1897 HydrophobicContact CG-CG2 4.1Å; L1891-V1946 HydrophobicContact CB-CG2 4.38Å; L1891-V1946 HydrophobicContact CD1-CB 4.03Å; L1891-V1946 HydrophobicContact CD1-CG1 4.19Å; L1891-V1946 HydrophobicContact CD1-CG2 3.96Å; L1891-F1951 HydrophobicContact CD1-CE2 4.4Å; L1891-F1951 HydrophobicContact CD1-CZ 3.9Å; L1891-Y1965 HydrophobicContact CD2-CD2 4.37Å; L1891-F1968 HydrophobicContact CD1-CD2 3.53Å; L1891-F1968 VanDerWaalsContact CD1-CD2 3.47Å; L1891-F1968 HydrophobicContact CD1-CE2 3.88Å; L1891-F1968 HydrophobicContact CD1-CG 4.21Å; L1891-F1968 HydrophobicContact CD1-CZ 4.49Å; L1891-F1968 HydrophobicContact CD2-CB 4.33Å; L1891-F1968 HydrophobicContact CD2-CD2 4.13Å; L1891-F1968 HydrophobicContact CD2-CG 4.49Å; L1891-F1968 HydrophobicContact CG-CD2 4.43Å; L1891-V1973 HydrophobicContact CB-CG1 3.79Å; L1891-C1974 PolarHBondContact N-O 3.17Å; L1891-T1975 HydrophobicContact CB-CG2 4.41Å; L1891-T1975 HydrophobicContact CD2-CG2 4.36Å |
| 1892 | P | 82.1 | Confident | 67.2 | Low | 22.6 Ų | 22.6 | 52.4 Ų | 52.4 | 15% | 0.147 | 30% | 0.3 | C | S | . | . | P | Polyproline II helix | trans | -60 | 143.3 | 177.3 | -22.6 | 33.1 | 0 | 0 | 0 | 111.6 | I1890 R1894 Y1896 T1897 F1930 | I1890-P1892 WeakPolarHBondContact O-CD 3.3Å; P1892-R1894 PolarHBondContact O-N 3Å; P1892-Y1896 HydrophobicContact CB-CD1 3.77Å; P1892-Y1896 HydrophobicContact CB-CE1 4.44Å; P1892-Y1896 HydrophobicContact CB-CG 4.43Å; P1892-T1897 HydrophobicContact CB-CG2 3.81Å; P1892-T1897 HydrophobicContact CG-CG2 4.24Å; P1892-F1930 HydrophobicContact CB-CD1 4.35Å; P1892-F1930 HydrophobicContact CB-CE1 3.87Å; P1892-F1930 HydrophobicContact CB-CE2 4.3Å; P1892-F1930 HydrophobicContact CB-CZ 3.86Å; P1892-F1930 HydrophobicContact CG-CE1 4.32Å; P1892-F1930 HydrophobicContact CG-CZ 3.96Å |
| 1893 | P | 78.1 | Confident | 65.5 | Low | 12.6 Ų | 12.6 | 54.4 Ų | 54.4 | 8% | 0.082 | 32% | 0.32 | C | S | . | . | P | Polyproline II helix | trans | -60 | 139.5 | 178.8 | 4.5 | -6.2 | 0 | 0 | 0 | 111.5 | S1895 Y1896 T1897 E1926 V1927 F1930 | P1893-S1895 PolarHBondContact O-N 3.37Å; P1893-Y1896 WeakPolarHBondContact O-CA 3.42Å; P1893-Y1896 VanDerWaalsContact O-CB 3.27Å; P1893-Y1896 WeakPolarHBondContact O-CB 3.44Å; P1893-Y1896 PolarHBondContact O-N 3.27Å; P1893-T1897 WeakPolarHBondContact CA-OG1 3.44Å; P1893-T1897 PolarHBondContact O-N 3.14Å; P1893-E1926 HydrophobicContact CB-CB 4.3Å; P1893-E1926 HydrophobicContact CB-CG 4.09Å; P1893-E1926 HydrophobicContact CG-CG 4Å; P1893-V1927 HydrophobicContact CB-CG2 3.94Å; P1893-V1927 HydrophobicContact CG-CB 4.34Å; P1893-V1927 HydrophobicContact CG-CG2 3.97Å; P1893-F1930 VanDerWaalsContact CD-CD1 3.47Å; P1893-F1930 VanDerWaalsContact CD-CG 3.5Å; P1893-F1930 HydrophobicContact CG-CB 3.67Å; P1893-F1930 HydrophobicContact CG-CD1 4.15Å; P1893-F1930 HydrophobicContact CG-CD2 4.36Å; P1893-F1930 HydrophobicContact CG-CG 3.92Å |
| 1894 | R | 70.1 | Confident | 63.7 | Low | 88.2 Ų | 88.2 | 57.2 Ų | 57.2 | 33% | 0.333 | 34% | 0.343 | S | S | . | . | trans | -110.5 | -151.5 | -178.4 | -113.3 | -175.2 | 170.3 | -161.3 | -4.2 | 110.3 | P1892 Y1896 T1897 I1898 E1923 F1951 T1956 | P1892-R1894 PolarHBondContact O-N 3Å; R1894-Y1896 VanDerWaalsContact C-N 3.28Å; R1894-Y1896 HydrophobicContact CB-CD1 4.13Å; R1894-Y1896 HydrophobicContact CB-CD2 3.94Å; R1894-Y1896 HydrophobicContact CB-CE1 3.74Å; R1894-Y1896 HydrophobicContact CB-CE2 4.1Å; R1894-Y1896 VanDerWaalsContact CD-CZ 3.48Å; R1894-Y1896 WeakPolarHBondContact CD-OH 3.35Å; R1894-Y1896 HydrophobicContact CG-CE1 4.44Å; R1894-Y1896 HydrophobicContact CG-CE2 4.35Å; R1894-Y1896 PolarHBondContact NH1-OH 3.09Å; R1894-Y1896 PolarHBondContact O-N 3Å; R1894-T1897 HydrophobicContact CB-CG2 4.42Å; R1894-T1897 PolarHBondContact N-OG1 3.1Å; R1894-T1897 VanDerWaalsContact N-OG1 3.16Å; R1894-T1897 PolarHBondContact O-N 3.12Å; R1894-T1897 VanDerWaalsContact O-N 3.1Å; R1894-T1897 PolarHBondContact O-OG1 3.17Å; R1894-I1898 VanDerWaalsContact C-CD1 3.44Å; R1894-I1898 HydrophobicContact CG-CD1 3.61Å; R1894-I1898 HydrophobicContact CG-CG1 4.48Å; R1894-I1898 WeakPolarHBondContact O-CD1 3.3Å; R1894-I1898 WeakPolarHBondContact O-CG1 3.37Å; R1894-I1898 PolarHBondContact O-N 3.12Å; R1894-I1898 VanDerWaalsContact O-N 3.16Å; R1894-E1923 WeakPolarHBondContact CB-OE1 3.04Å; R1894-F1951 VanDerWaalsContact CZ-CB 3.46Å; R1894-F1951 VanDerWaalsContact CZ-CG 3.49Å; R1894-F1951 VanDerWaalsContact NH1-CD1 3.25Å; R1894-F1951 VanDerWaalsContact NH2-CG 3.32Å; R1894-T1956 PolarHBondContact NE-OG1 3.31Å; R1894-T1956 PolarHBondContact NH2-O 3.17Å; R1894-T1956 PolarHBondContact NH2-OG1 3.4Å | ||
| 1895 | S | 62 | Low | 61.8 | Low | 63.4 Ų | 63.4 | 63.3 Ų | 63.3 | 44% | 0.443 | 37% | 0.373 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | -13.3 | -177.9 | -36.7 | 0 | 0 | 0 | 0 | 115.5 | P1893 I1898 A1899 E1923 V1927 | P1893-S1895 PolarHBondContact O-N 3.37Å; S1895-I1898 PolarHBondContact O-N 2.97Å; S1895-A1899 VanDerWaalsContact O-CB 3.24Å; S1895-A1899 WeakPolarHBondContact O-CB 3.33Å; S1895-A1899 PolarHBondContact O-N 2.96Å; S1895-A1899 VanDerWaalsContact O-N 3.07Å; S1895-E1923 VanDerWaalsContact C-OE1 3.3Å; S1895-E1923 VanDerWaalsContact CA-CD 3.45Å; S1895-E1923 VanDerWaalsContact CA-OE1 3.3Å; S1895-E1923 WeakPolarHBondContact CA-OE1 3.38Å; S1895-E1923 VanDerWaalsContact CA-OE2 3.28Å; S1895-E1923 WeakPolarHBondContact CA-OE2 3.33Å; S1895-E1923 VanDerWaalsContact CB-OE1 3.25Å; S1895-E1923 WeakPolarHBondContact CB-OE1 3.43Å; S1895-E1923 WeakPolarHBondContact CB-OE2 3.33Å; S1895-E1923 PolarHBondContact N-OE1 3.05Å; S1895-E1923 PolarHBondContact OG-OE1 2.91Å; S1895-E1923 PolarHBondContact OG-OE2 3.28Å; S1895-V1927 VanDerWaalsContact OG-CG2 3.3Å; S1895-V1927 WeakPolarHBondContact OG-CG2 3.23Å |
| 1896 | Y | 62.1 | Low | 59.6 | Low | 55.6 Ų | 55.6 | 70 Ų | 70 | 22% | 0.218 | 41% | 0.406 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.6 | -17 | 176.7 | 89.1 | -93.8 | 0 | 0 | 0 | 113.4 | L1891 P1892 P1893 R1894 I1898 V1927 F1930 K1931 F1951 G1961 W1964 | L1891-Y1896 HydrophobicContact CD2-CE2 4.47Å; P1892-Y1896 HydrophobicContact CB-CD1 3.77Å; P1892-Y1896 HydrophobicContact CB-CE1 4.44Å; P1892-Y1896 HydrophobicContact CB-CG 4.43Å; P1893-Y1896 WeakPolarHBondContact O-CA 3.42Å; P1893-Y1896 VanDerWaalsContact O-CB 3.27Å; P1893-Y1896 WeakPolarHBondContact O-CB 3.44Å; P1893-Y1896 PolarHBondContact O-N 3.27Å; R1894-Y1896 VanDerWaalsContact C-N 3.28Å; R1894-Y1896 HydrophobicContact CB-CD1 4.13Å; R1894-Y1896 HydrophobicContact CB-CD2 3.94Å; R1894-Y1896 HydrophobicContact CB-CE1 3.74Å; R1894-Y1896 HydrophobicContact CB-CE2 4.1Å; R1894-Y1896 VanDerWaalsContact CD-CZ 3.48Å; R1894-Y1896 WeakPolarHBondContact CD-OH 3.35Å; R1894-Y1896 HydrophobicContact CG-CE1 4.44Å; R1894-Y1896 HydrophobicContact CG-CE2 4.35Å; R1894-Y1896 PolarHBondContact NH1-OH 3.09Å; R1894-Y1896 PolarHBondContact O-N 3Å; Y1896-I1898 VanDerWaalsContact C-N 3.33Å; Y1896-I1898 PolarHBondContact O-N 3.17Å; Y1896-V1927 HydrophobicContact CD2-CG1 4.36Å; Y1896-F1930 HydrophobicContact CD1-CD1 4.11Å; Y1896-F1930 AromaticContact CD1-CE1 3.88Å; Y1896-F1930 HydrophobicContact CD1-CE1 3.88Å; Y1896-F1930 AromaticContact CD2-CD1 3.82Å; Y1896-F1930 HydrophobicContact CD2-CD1 3.82Å; Y1896-F1930 HydrophobicContact CD2-CE1 4.34Å; Y1896-F1930 HydrophobicContact CE1-CD1 4.16Å; Y1896-F1930 AromaticContact CE1-CE1 3.7Å; Y1896-F1930 HydrophobicContact CE1-CE1 3.7Å; Y1896-F1930 AromaticContact CE2-CD1 3.7Å; Y1896-F1930 HydrophobicContact CE2-CD1 3.87Å; Y1896-F1930 HydrophobicContact CE2-CE1 4.16Å; Y1896-F1930 AromaticContact CG-CD1 3.95Å; Y1896-F1930 HydrophobicContact CG-CD1 3.95Å; Y1896-F1930 HydrophobicContact CG-CE1 4.21Å; Y1896-F1930 AromaticContact CZ-CD1 3.92Å; Y1896-F1930 AromaticContact CZ-CE1 3.84Å; Y1896-K1931 HydrophobicContact CD2-CG 4.02Å; Y1896-K1931 HydrophobicContact CE2-CG 3.7Å; Y1896-F1951 WeakPolarHBondContact OH-CE1 3.2Å; Y1896-G1961 VanDerWaalsContact CB-CA 3.44Å; Y1896-G1961 VanDerWaalsContact CD2-C 3.48Å; Y1896-G1961 VanDerWaalsContact CD2-CA 3.41Å; Y1896-G1961 VanDerWaalsContact CD2-O 3.28Å; Y1896-G1961 WeakPolarHBondContact CD2-O 3.24Å; Y1896-W1964 HydrophobicContact CD2-CB 4.49Å; Y1896-W1964 HydrophobicContact CE2-CB 3.8Å |
| 1897 | T | 61.3 | Low | 57.8 | Low | 12 Ų | 12 | 68.4 Ų | 68.4 | 7% | 0.074 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -78.4 | -25.1 | 176.7 | 58.5 | 0 | 0 | 0 | 0 | 112.9 | L1891 P1892 P1893 R1894 E1926 F1951 T1975 | L1891-T1897 HydrophobicContact CD2-CG2 3.74Å; L1891-T1897 VanDerWaalsContact CD2-CG2 3.4Å; L1891-T1897 HydrophobicContact CG-CG2 4.1Å; P1892-T1897 HydrophobicContact CB-CG2 3.81Å; P1892-T1897 HydrophobicContact CG-CG2 4.24Å; P1893-T1897 WeakPolarHBondContact CA-OG1 3.44Å; P1893-T1897 PolarHBondContact O-N 3.14Å; R1894-T1897 HydrophobicContact CB-CG2 4.42Å; R1894-T1897 PolarHBondContact N-OG1 3.1Å; R1894-T1897 VanDerWaalsContact N-OG1 3.16Å; R1894-T1897 PolarHBondContact O-N 3.12Å; R1894-T1897 VanDerWaalsContact O-N 3.1Å; R1894-T1897 PolarHBondContact O-OG1 3.17Å; T1897-E1926 PolarHBondContact OG1-OE2 3.06Å; T1897-F1951 HydrophobicContact CG2-CD2 3.67Å; T1897-F1951 HydrophobicContact CG2-CE1 4.49Å; T1897-F1951 HydrophobicContact CG2-CE2 3.63Å; T1897-F1951 HydrophobicContact CG2-CG 4.24Å; T1897-F1951 HydrophobicContact CG2-CZ 4.17Å; T1897-T1975 HydrophobicContact CG2-CG2 4.24Å |
| 1898 | I | 55.2 | Low | 55.6 | Low | 38.6 Ų | 38.6 | 69.4 Ų | 69.4 | 20% | 0.198 | 42% | 0.424 | C | S | . | . | S | Bend | trans | -84.1 | 97.3 | -178.7 | -58.3 | 165.9 | 0 | 0 | 0 | 109.3 | R1894 S1895 Y1896 S1900 S1901 M1922 E1923 E1926 T1956 | R1894-I1898 VanDerWaalsContact C-CD1 3.44Å; R1894-I1898 HydrophobicContact CG-CD1 3.61Å; R1894-I1898 HydrophobicContact CG-CG1 4.48Å; R1894-I1898 WeakPolarHBondContact O-CD1 3.3Å; R1894-I1898 WeakPolarHBondContact O-CG1 3.37Å; R1894-I1898 PolarHBondContact O-N 3.12Å; R1894-I1898 VanDerWaalsContact O-N 3.16Å; S1895-I1898 PolarHBondContact O-N 2.97Å; Y1896-I1898 VanDerWaalsContact C-N 3.33Å; Y1896-I1898 PolarHBondContact O-N 3.17Å; I1898-S1900 VanDerWaalsContact C-N 3.26Å; I1898-S1900 PolarHBondContact O-N 3.38Å; I1898-S1900 VanDerWaalsContact O-N 3.13Å; I1898-S1901 PolarHBondContact O-N 3.04Å; I1898-S1901 PolarHBondContact O-OG 3.04Å; I1898-M1922 HydrophobicContact CD1-CB 4.31Å; I1898-E1923 HydrophobicContact CB-CG 4.45Å; I1898-E1923 VanDerWaalsContact CD1-CA 3.49Å; I1898-E1923 HydrophobicContact CD1-CB 3.62Å; I1898-E1923 HydrophobicContact CD1-CG 3.93Å; I1898-E1923 VanDerWaalsContact CD1-CG 3.42Å; I1898-E1923 HydrophobicContact CG1-CG 4.43Å; I1898-E1923 HydrophobicContact CG2-CG 4.21Å; I1898-E1926 HydrophobicContact CD1-CB 4.18Å; I1898-E1926 VanDerWaalsContact CG1-OE2 3.29Å; I1898-E1926 WeakPolarHBondContact CG1-OE2 3.39Å; I1898-T1956 HydrophobicContact CB-CG2 4.4Å; I1898-T1956 HydrophobicContact CD1-CG2 3.85Å; I1898-T1956 WeakPolarHBondContact CD1-OG1 3.3Å; I1898-T1956 HydrophobicContact CG1-CG2 4.12Å; I1898-T1956 HydrophobicContact CG2-CG2 3.31Å |
| 1899 | A | 49.2 | Very low | 53.2 | Low | 56.8 Ų | 56.8 | 73.1 Ų | 73.1 | 47% | 0.469 | 45% | 0.451 | S | S | . | . | trans | -59.6 | 64 | -175.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | S1895 S1901 T1902 | S1895-A1899 VanDerWaalsContact O-CB 3.24Å; S1895-A1899 WeakPolarHBondContact O-CB 3.33Å; S1895-A1899 PolarHBondContact O-N 2.96Å; S1895-A1899 VanDerWaalsContact O-N 3.07Å; A1899-S1901 VanDerWaalsContact C-N 3.28Å; A1899-S1901 PolarHBondContact O-N 3.12Å; A1899-T1902 PolarHBondContact O-OG1 3.03Å | ||
| 1900 | S | 44.8 | Very low | 50.6 | Low | 91.4 Ų | 91.4 | 78.5 Ų | 78.5 | 64% | 0.639 | 49% | 0.488 | S | S | * | . | trans | -69.6 | 61 | 177.4 | 21 | 0 | 0 | 0 | 0 | 110.4 | I1898 T1902 | I1898-S1900 VanDerWaalsContact C-N 3.26Å; I1898-S1900 PolarHBondContact O-N 3.38Å; I1898-S1900 VanDerWaalsContact O-N 3.13Å; S1900-T1902 VanDerWaalsContact C-N 3.31Å; S1900-T1902 PolarHBondContact O-N 3.04Å; S1900-T1902 VanDerWaalsContact O-N 3.08Å | ||
| 1901 | S | 37.9 | Very low | 47.9 | Very low | 100.4 Ų | 100.4 | 84 Ų | 84 | 70% | 0.702 | 53% | 0.527 | S | S | * | . | trans | -74.9 | 50.2 | 171.9 | 100.3 | 0 | 0 | 0 | 0 | 111.1 | I1898 A1899 G1903 | I1898-S1901 PolarHBondContact O-N 3.04Å; I1898-S1901 PolarHBondContact O-OG 3.04Å; A1899-S1901 VanDerWaalsContact C-N 3.28Å; A1899-S1901 PolarHBondContact O-N 3.12Å; S1901-G1903 PolarHBondContact O-N 2.95Å | ||
| 1902 | T | 34.6 | Very low | 45.4 | Very low | 118.4 Ų | 118.4 | 88.8 Ų | 88.8 | 73% | 0.726 | 56% | 0.561 | S | S | * | * | trans | -87.1 | 93.1 | 169.4 | 46.7 | 0 | 0 | 0 | 0 | 107.8 | A1899 S1900 | A1899-T1902 PolarHBondContact O-OG1 3.03Å; S1900-T1902 VanDerWaalsContact C-N 3.31Å; S1900-T1902 PolarHBondContact O-N 3.04Å; S1900-T1902 VanDerWaalsContact O-N 3.08Å | ||
| 1903 | G | 30.6 | Very low | 43.3 | Very low | 50.4 Ų | 50.4 | 93 Ų | 93 | 52% | 0.52 | 59% | 0.591 | S | S | . | * | trans | -57.6 | 152.7 | 163.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | S1901 M1905 | S1901-G1903 PolarHBondContact O-N 2.95Å; G1903-M1905 VanDerWaalsContact C-N 3.33Å; G1903-M1905 PolarHBondContact O-N 3.19Å; G1903-M1905 VanDerWaalsContact O-N 3.13Å | ||
| 1904 | P | 32 | Very low | 41.4 | Very low | 125.2 Ų | 125.2 | 96.8 Ų | 96.8 | 81% | 0.813 | 62% | 0.618 | S | S | * | * | trans | -59.4 | 114.2 | -175.4 | 25.5 | -32.5 | 0 | 0 | 0 | 109.5 | E1906 | P1904-E1906 HydrophobicContact CB-CG 4.43Å; P1904-E1906 PolarHBondContact O-N 3.2Å | ||
| 1905 | M | 29.8 | Very low | 40.1 | Very low | 184.2 Ų | 184.2 | 97.4 Ų | 97.4 | 91% | 0.907 | 63% | 0.631 | S | S | * | * | trans | -74.1 | 94.4 | 171.6 | -83.5 | -133.3 | 112.8 | 0 | 0 | 109.3 | G1903 S1907 | G1903-M1905 VanDerWaalsContact C-N 3.33Å; G1903-M1905 PolarHBondContact O-N 3.19Å; G1903-M1905 VanDerWaalsContact O-N 3.13Å; M1905-S1907 PolarHBondContact O-N 2.95Å; M1905-S1907 VanDerWaalsContact O-N 3.14Å | ||
| 1906 | E | 30.5 | Very low | 39.3 | Very low | 168.2 Ų | 168.2 | 99.8 Ų | 99.8 | 79% | 0.786 | 64% | 0.639 | S | S | * | * | trans | -54.7 | 119 | 161.7 | -68.2 | -171.9 | 167.1 | 0 | 0 | 110.7 | P1904 S1908 | P1904-E1906 HydrophobicContact CB-CG 4.43Å; P1904-E1906 PolarHBondContact O-N 3.2Å; E1906-S1908 VanDerWaalsContact C-N 3.3Å; E1906-S1908 PolarHBondContact O-N 3.25Å; E1906-S1908 PolarHBondContact O-OG 2.78Å | ||
| 1907 | S | 31.6 | Very low | 38.7 | Very low | 122.8 Ų | 122.8 | 100.5 Ų | 100.5 | 86% | 0.859 | 65% | 0.652 | S | S | * | * | trans | -51.4 | 101.5 | 172 | 50.2 | 0 | 0 | 0 | 0 | 112 | M1905 | M1905-S1907 PolarHBondContact O-N 2.95Å; M1905-S1907 VanDerWaalsContact O-N 3.14Å | ||
| 1908 | S | 32 | Very low | 38.3 | Very low | 105.8 Ų | 105.8 | 104.7 Ų | 104.7 | 74% | 0.74 | 67% | 0.674 | S | S | * | * | trans | -140.1 | 111.7 | 158.2 | 46.3 | 0 | 0 | 0 | 0 | 110.5 | E1906 S1910 | E1906-S1908 VanDerWaalsContact C-N 3.3Å; E1906-S1908 PolarHBondContact O-N 3.25Å; E1906-S1908 PolarHBondContact O-OG 2.78Å; S1908-S1910 PolarHBondContact O-N 3.35Å | ||
| 1909 | S | 31.5 | Very low | 38.4 | Very low | 108.8 Ų | 108.8 | 109.4 Ų | 109.4 | 76% | 0.761 | 69% | 0.693 | S | S | * | * | trans | -25.6 | 128.2 | 160.3 | 51.6 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 1910 | S | 32.5 | Very low | 39.2 | Very low | 112.8 Ų | 112.8 | 111.8 Ų | 111.8 | 79% | 0.789 | 70% | 0.698 | S | S | * | * | trans | 67.4 | 98.5 | 151.2 | 63.7 | 0 | 0 | 0 | 0 | 116.8 | S1908 | S1908-S1910 PolarHBondContact O-N 3.35Š| ||
| 1911 | S | 32 | Very low | 40.7 | Very low | 115.6 Ų | 115.6 | 111.6 Ų | 111.6 | 81% | 0.808 | 69% | 0.686 | S | S | * | * | trans | -162.3 | 104.7 | 131.8 | 48.5 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1912 | S | 32.9 | Very low | 42.5 | Very low | 110.6 Ų | 110.6 | 108.1 Ų | 108.1 | 77% | 0.773 | 66% | 0.659 | S | S | * | * | trans | -127.7 | 108 | 162.8 | 51.7 | 0 | 0 | 0 | 0 | 113.5 | S1914 | S1912-S1914 PolarHBondContact O-N 3.05Š| ||
| 1913 | S | 38.1 | Very low | 44.4 | Very low | 110.6 Ų | 110.6 | 104.8 Ų | 104.8 | 77% | 0.773 | 64% | 0.635 | S | S | * | * | S | Bend | trans | -156.8 | 28.5 | 153.9 | 54.8 | 0 | 0 | 0 | 0 | 115.2 | V1915 N1916 | S1913-V1915 PolarHBondContact O-N 2.78Å; S1913-N1916 PolarHBondContact O-N 2.91Å |
| 1914 | S | 39.3 | Very low | 46.9 | Very low | 92.2 Ų | 92.2 | 107 Ų | 107 | 65% | 0.645 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.8 | -1.9 | -175.7 | 63.3 | 0 | 0 | 0 | 0 | 115 | S1912 N1916 S1917 | S1912-S1914 PolarHBondContact O-N 3.05Å; S1914-N1916 VanDerWaalsContact C-N 3.28Å; S1914-N1916 PolarHBondContact O-N 2.8Å; S1914-N1916 VanDerWaalsContact O-N 3.13Å; S1914-S1917 PolarHBondContact O-N 2.98Å; S1914-S1917 VanDerWaalsContact O-N 3.16Å; S1914-S1917 PolarHBondContact O-OG 3.02Å |
| 1915 | V | 43 | Very low | 49.3 | Very low | 101.8 Ų | 101.8 | 101.5 Ų | 101.5 | 62% | 0.617 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -89.3 | -20.5 | -176.6 | -172.7 | 0 | 0 | 0 | 0 | 113 | S1913 | S1913-V1915 PolarHBondContact O-N 2.78Å |
| 1916 | N | 44.1 | Very low | 51.9 | Low | 112.8 Ų | 112.8 | 93.6 Ų | 93.6 | 60% | 0.603 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -86.9 | -13.8 | -178.6 | -83.4 | -11.2 | 0 | 0 | 0 | 114.2 | S1913 S1914 D1918 N1920 | S1913-N1916 PolarHBondContact O-N 2.91Å; S1914-N1916 VanDerWaalsContact C-N 3.28Å; S1914-N1916 PolarHBondContact O-N 2.8Å; S1914-N1916 VanDerWaalsContact O-N 3.13Å; N1916-D1918 VanDerWaalsContact C-N 3.33Å; N1916-D1918 PolarHBondContact O-N 3.33Å; N1916-N1920 WeakPolarHBondContact O-CB 3.33Å; N1916-N1920 PolarHBondContact O-N 3.22Å; N1916-N1920 PolarHBondContact O-ND2 3.12Å |
| 1917 | S | 49.7 | Very low | 54.5 | Low | 70.8 Ų | 70.8 | 86.8 Ų | 86.8 | 50% | 0.495 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -65.3 | -42.5 | 178.8 | 50.2 | 0 | 0 | 0 | 0 | 112.1 | S1914 K1919 N1920 F1921 | S1914-S1917 PolarHBondContact O-N 2.98Å; S1914-S1917 VanDerWaalsContact O-N 3.16Å; S1914-S1917 PolarHBondContact O-OG 3.02Å; S1917-K1919 PolarHBondContact O-N 2.83Å; S1917-N1920 PolarHBondContact O-N 3.1Å; S1917-F1921 VanDerWaalsContact O-CB 3.26Å; S1917-F1921 WeakPolarHBondContact O-CB 3.41Å; S1917-F1921 PolarHBondContact O-N 3.16Å |
| 1918 | D | 53.8 | Low | 57 | Low | 99.8 Ų | 99.8 | 82.8 Ų | 82.8 | 53% | 0.534 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -73.4 | -35.4 | -170.5 | -59.7 | -8.4 | 0 | 0 | 0 | 111.9 | N1916 N1920 F1921 M1922 | N1916-D1918 VanDerWaalsContact C-N 3.33Å; N1916-D1918 PolarHBondContact O-N 3.33Å; D1918-N1920 VanDerWaalsContact C-N 3.34Å; D1918-N1920 PolarHBondContact O-N 3.08Å; D1918-F1921 WeakPolarHBondContact O-CB 3.33Å; D1918-F1921 PolarHBondContact O-N 3.29Å; D1918-M1922 WeakPolarHBondContact O-CG 3.22Å; D1918-M1922 PolarHBondContact O-N 3.23Å; D1918-M1922 VanDerWaalsContact O-N 3.12Å |
| 1919 | K | 57.1 | Low | 59.7 | Low | 137.6 Ų | 137.6 | 77.7 Ų | 77.7 | 60% | 0.598 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -63.5 | -43.9 | 174 | -74.3 | -172.6 | 177.1 | -178.2 | 0 | 112 | S1917 F1921 M1922 E1923 | S1917-K1919 PolarHBondContact O-N 2.83Å; K1919-F1921 VanDerWaalsContact C-N 3.29Å; K1919-F1921 PolarHBondContact O-N 3.16Å; K1919-M1922 PolarHBondContact O-N 3.34Å; K1919-E1923 WeakPolarHBondContact O-CG 3.08Å; K1919-E1923 PolarHBondContact O-N 3.18Å; K1919-E1923 VanDerWaalsContact O-N 3.09Å |
| 1920 | N | 66 | Low | 62.3 | Low | 107.8 Ų | 107.8 | 73.3 Ų | 73.3 | 58% | 0.576 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -65.8 | -33.3 | 177.7 | -73.7 | -10 | 0 | 0 | 0 | 111.8 | N1916 S1917 D1918 M1922 E1923 Q1924 | N1916-N1920 WeakPolarHBondContact O-CB 3.33Å; N1916-N1920 PolarHBondContact O-N 3.22Å; N1916-N1920 PolarHBondContact O-ND2 3.12Å; S1917-N1920 PolarHBondContact O-N 3.1Å; D1918-N1920 VanDerWaalsContact C-N 3.34Å; D1918-N1920 PolarHBondContact O-N 3.08Å; N1920-M1922 PolarHBondContact O-N 2.82Å; N1920-E1923 PolarHBondContact O-N 3.4Å; N1920-Q1924 WeakPolarHBondContact O-CB 3.24Å; N1920-Q1924 PolarHBondContact O-N 3.14Å; N1920-Q1924 VanDerWaalsContact O-N 3.12Å |
| 1921 | F | 75.5 | Confident | 64.9 | Low | 87 Ų | 87 | 72.8 Ų | 72.8 | 38% | 0.382 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -63.8 | -47.7 | 177 | -179.9 | -106.5 | 0 | 0 | 0 | 112.1 | S1917 D1918 K1919 E1923 Q1924 L1925 Y2212 | S1917-F1921 VanDerWaalsContact O-CB 3.26Å; S1917-F1921 WeakPolarHBondContact O-CB 3.41Å; S1917-F1921 PolarHBondContact O-N 3.16Å; D1918-F1921 WeakPolarHBondContact O-CB 3.33Å; D1918-F1921 PolarHBondContact O-N 3.29Å; K1919-F1921 VanDerWaalsContact C-N 3.29Å; K1919-F1921 PolarHBondContact O-N 3.16Å; F1921-E1923 VanDerWaalsContact C-N 3.33Å; F1921-E1923 PolarHBondContact O-N 3.1Å; F1921-Q1924 WeakPolarHBondContact O-CB 3.31Å; F1921-Q1924 PolarHBondContact O-N 3.18Å; F1921-Q1924 VanDerWaalsContact O-N 3.17Å; F1921-L1925 HydrophobicContact CD1-CD1 4.05Å; F1921-L1925 HydrophobicContact CD1-CG 4.43Å; F1921-L1925 HydrophobicContact CE1-CD1 3.54Å; F1921-L1925 VanDerWaalsContact CE1-CD1 3.41Å; F1921-L1925 HydrophobicContact CE1-CD2 4.38Å; F1921-L1925 HydrophobicContact CE1-CG 4.14Å; F1921-L1925 HydrophobicContact CE2-CD2 4.45Å; F1921-L1925 HydrophobicContact CE2-CG 4.42Å; F1921-L1925 HydrophobicContact CZ-CD1 3.92Å; F1921-L1925 HydrophobicContact CZ-CD2 4.18Å; F1921-L1925 HydrophobicContact CZ-CG 4.18Å; F1921-L1925 WeakPolarHBondContact O-CG 3.39Å; F1921-L1925 PolarHBondContact O-N 2.99Å; F1921-Y2212 HydrophobicContact CD1-CD2 4.29Å; F1921-Y2212 AromaticContact CD1-CE2 3.86Å; F1921-Y2212 HydrophobicContact CD1-CE2 3.86Å; F1921-Y2212 HydrophobicContact CE1-CD1 4.41Å; F1921-Y2212 AromaticContact CE1-CD2 3.5Å; F1921-Y2212 HydrophobicContact CE1-CD2 3.5Å; F1921-Y2212 VanDerWaalsContact CE1-CD2 3.44Å; F1921-Y2212 HydrophobicContact CE1-CE1 4.4Å; F1921-Y2212 AromaticContact CE1-CE2 3.5Å; F1921-Y2212 HydrophobicContact CE1-CE2 3.5Å; F1921-Y2212 VanDerWaalsContact CE1-CE2 3.47Å; F1921-Y2212 AromaticContact CE1-CG 3.91Å; F1921-Y2212 HydrophobicContact CE1-CG 3.98Å; F1921-Y2212 AromaticContact CE1-CZ 3.93Å; F1921-Y2212 AromaticContact CZ-CD2 3.97Å; F1921-Y2212 HydrophobicContact CZ-CD2 3.97Å; F1921-Y2212 HydrophobicContact CZ-CE2 4.37Å; F1921-Y2212 HydrophobicContact CZ-CG 4.37Å |
| 1922 | M | 75 | Confident | 67.5 | Low | 27 Ų | 27 | 67.8 Ų | 67.8 | 13% | 0.133 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -65.6 | -39.6 | 179.8 | -64.3 | -60.6 | -88.7 | 0 | 0 | 112.6 | I1898 D1918 K1919 N1920 Q1924 L1925 E1926 L2086 D2089 | I1898-M1922 HydrophobicContact CD1-CB 4.31Å; D1918-M1922 WeakPolarHBondContact O-CG 3.22Å; D1918-M1922 PolarHBondContact O-N 3.23Å; D1918-M1922 VanDerWaalsContact O-N 3.12Å; K1919-M1922 PolarHBondContact O-N 3.34Å; N1920-M1922 PolarHBondContact O-N 2.82Å; M1922-Q1924 VanDerWaalsContact C-N 3.32Å; M1922-Q1924 PolarHBondContact O-N 2.97Å; M1922-L1925 PolarHBondContact O-N 3.06Å; M1922-L1925 HydrophobicContact SD-CD1 4.07Å; M1922-E1926 PolarHBondContact O-N 3.13Å; M1922-E1926 VanDerWaalsContact O-N 3.09Å; M1922-L2086 HydrophobicContact CB-CD2 4.31Å; M1922-L2086 HydrophobicContact CE-CD2 3.74Å; M1922-L2086 WeakPolarHBondContact O-CD2 3.45Å; M1922-L2086 HydrophobicContact SD-CD2 4.06Å; M1922-D2089 HydrophobicContact CE-CB 3.56Å; M1922-D2089 VanDerWaalsContact CE-OD2 3.3Å; M1922-D2089 WeakPolarHBondContact CE-OD2 3.27Å |
| 1923 | E | 76.1 | Confident | 70 | Confident | 49 Ų | 49 | 62.6 Ų | 62.6 | 23% | 0.229 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -62.9 | -40.9 | 174.1 | -128.9 | -179.3 | 171.2 | 0 | 0 | 111.3 | R1894 S1895 I1898 K1919 N1920 F1921 L1925 E1926 V1927 | R1894-E1923 WeakPolarHBondContact CB-OE1 3.04Å; S1895-E1923 VanDerWaalsContact C-OE1 3.3Å; S1895-E1923 VanDerWaalsContact CA-CD 3.45Å; S1895-E1923 VanDerWaalsContact CA-OE1 3.3Å; S1895-E1923 WeakPolarHBondContact CA-OE1 3.38Å; S1895-E1923 VanDerWaalsContact CA-OE2 3.28Å; S1895-E1923 WeakPolarHBondContact CA-OE2 3.33Å; S1895-E1923 VanDerWaalsContact CB-OE1 3.25Å; S1895-E1923 WeakPolarHBondContact CB-OE1 3.43Å; S1895-E1923 WeakPolarHBondContact CB-OE2 3.33Å; S1895-E1923 PolarHBondContact N-OE1 3.05Å; S1895-E1923 PolarHBondContact OG-OE1 2.91Å; S1895-E1923 PolarHBondContact OG-OE2 3.28Å; I1898-E1923 HydrophobicContact CB-CG 4.45Å; I1898-E1923 VanDerWaalsContact CD1-CA 3.49Å; I1898-E1923 HydrophobicContact CD1-CB 3.62Å; I1898-E1923 HydrophobicContact CD1-CG 3.93Å; I1898-E1923 VanDerWaalsContact CD1-CG 3.42Å; I1898-E1923 HydrophobicContact CG1-CG 4.43Å; I1898-E1923 HydrophobicContact CG2-CG 4.21Å; K1919-E1923 WeakPolarHBondContact O-CG 3.08Å; K1919-E1923 PolarHBondContact O-N 3.18Å; K1919-E1923 VanDerWaalsContact O-N 3.09Å; N1920-E1923 PolarHBondContact O-N 3.4Å; F1921-E1923 VanDerWaalsContact C-N 3.33Å; F1921-E1923 PolarHBondContact O-N 3.1Å; E1923-L1925 VanDerWaalsContact C-N 3.34Å; E1923-L1925 PolarHBondContact O-N 3.07Å; E1923-E1926 PolarHBondContact O-N 3.13Å; E1923-V1927 HydrophobicContact CG-CG2 4.49Å; E1923-V1927 WeakPolarHBondContact O-CB 3.32Å; E1923-V1927 VanDerWaalsContact O-CG2 3.26Å; E1923-V1927 WeakPolarHBondContact O-CG2 3.38Å; E1923-V1927 PolarHBondContact O-N 3.21Å |
| 1924 | Q | 81.3 | Confident | 72.1 | Confident | 96.6 Ų | 96.6 | 59.1 Ų | 59.1 | 45% | 0.451 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -63.1 | -40.8 | 176.4 | -173.5 | 74.6 | 31 | 0 | 0 | 112 | N1920 F1921 M1922 E1926 V1927 D1928 | N1920-Q1924 WeakPolarHBondContact O-CB 3.24Å; N1920-Q1924 PolarHBondContact O-N 3.14Å; N1920-Q1924 VanDerWaalsContact O-N 3.12Å; F1921-Q1924 WeakPolarHBondContact O-CB 3.31Å; F1921-Q1924 PolarHBondContact O-N 3.18Å; F1921-Q1924 VanDerWaalsContact O-N 3.17Å; M1922-Q1924 VanDerWaalsContact C-N 3.32Å; M1922-Q1924 PolarHBondContact O-N 2.97Å; Q1924-E1926 VanDerWaalsContact C-N 3.32Å; Q1924-E1926 PolarHBondContact O-N 2.88Å; Q1924-V1927 WeakPolarHBondContact O-CB 3.44Å; Q1924-V1927 PolarHBondContact O-N 3.24Å; Q1924-D1928 VanDerWaalsContact NE2-CG 3.33Å; Q1924-D1928 PolarHBondContact NE2-OD1 2.94Å; Q1924-D1928 PolarHBondContact NE2-OD2 3.12Å; Q1924-D1928 WeakPolarHBondContact O-CB 3.43Å; Q1924-D1928 VanDerWaalsContact O-CG 3.23Å; Q1924-D1928 PolarHBondContact O-N 3.03Å |
| 1925 | L | 83.4 | Confident | 74.2 | Confident | 10.4 Ų | 10.4 | 60.2 Ų | 60.2 | 5% | 0.054 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -61.4 | -44 | 175.2 | -69.6 | -177.3 | 0 | 0 | 0 | 112.3 | F1921 M1922 E1923 D1928 L1929 R2082 C2085 L2086 | F1921-L1925 HydrophobicContact CD1-CD1 4.05Å; F1921-L1925 HydrophobicContact CD1-CG 4.43Å; F1921-L1925 HydrophobicContact CE1-CD1 3.54Å; F1921-L1925 VanDerWaalsContact CE1-CD1 3.41Å; F1921-L1925 HydrophobicContact CE1-CD2 4.38Å; F1921-L1925 HydrophobicContact CE1-CG 4.14Å; F1921-L1925 HydrophobicContact CE2-CD2 4.45Å; F1921-L1925 HydrophobicContact CE2-CG 4.42Å; F1921-L1925 HydrophobicContact CZ-CD1 3.92Å; F1921-L1925 HydrophobicContact CZ-CD2 4.18Å; F1921-L1925 HydrophobicContact CZ-CG 4.18Å; F1921-L1925 WeakPolarHBondContact O-CG 3.39Å; F1921-L1925 PolarHBondContact O-N 2.99Å; M1922-L1925 PolarHBondContact O-N 3.06Å; M1922-L1925 HydrophobicContact SD-CD1 4.07Å; E1923-L1925 VanDerWaalsContact C-N 3.34Å; E1923-L1925 PolarHBondContact O-N 3.07Å; L1925-D1928 PolarHBondContact O-N 3.27Å; L1925-L1929 WeakPolarHBondContact O-CG 3.29Å; L1925-L1929 PolarHBondContact O-N 3.08Å; L1925-R2082 HydrophobicContact CD2-CB 4.25Å; L1925-R2082 HydrophobicContact CD2-CG 3.78Å; L1925-C2085 HydrophobicContact CD1-CB 4.02Å; L1925-L2086 HydrophobicContact CB-CD1 4.24Å; L1925-L2086 HydrophobicContact CB-CD2 3.96Å; L1925-L2086 HydrophobicContact CB-CG 4.14Å; L1925-L2086 HydrophobicContact CD1-CD2 4.35Å; L1925-L2086 HydrophobicContact CD1-CG 4.33Å |
| 1926 | E | 84.8 | Confident | 76.1 | Confident | 18 Ų | 18 | 59 Ų | 59 | 8% | 0.084 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -65.1 | -41 | 177.2 | -165.9 | -176.3 | -176 | 0 | 0 | 111.3 | P1893 T1897 I1898 M1922 E1923 Q1924 L1929 F1930 L1976 L2086 | P1893-E1926 HydrophobicContact CB-CB 4.3Å; P1893-E1926 HydrophobicContact CB-CG 4.09Å; P1893-E1926 HydrophobicContact CG-CG 4Å; T1897-E1926 PolarHBondContact OG1-OE2 3.06Å; I1898-E1926 HydrophobicContact CD1-CB 4.18Å; I1898-E1926 VanDerWaalsContact CG1-OE2 3.29Å; I1898-E1926 WeakPolarHBondContact CG1-OE2 3.39Å; M1922-E1926 PolarHBondContact O-N 3.13Å; M1922-E1926 VanDerWaalsContact O-N 3.09Å; E1923-E1926 PolarHBondContact O-N 3.13Å; Q1924-E1926 VanDerWaalsContact C-N 3.32Å; Q1924-E1926 PolarHBondContact O-N 2.88Å; E1926-L1929 PolarHBondContact O-N 3.24Å; E1926-F1930 VanDerWaalsContact O-CB 3.3Å; E1926-F1930 WeakPolarHBondContact O-CB 3.26Å; E1926-F1930 PolarHBondContact O-N 2.89Å; E1926-L1976 HydrophobicContact CG-CB 4.31Å; E1926-L1976 HydrophobicContact CG-CD2 4Å; E1926-L2086 HydrophobicContact CB-CD1 4.16Å; E1926-L2086 HydrophobicContact CG-CD1 4.33Å |
| 1927 | V | 84.2 | Confident | 77.7 | Confident | 24.4 Ų | 24.4 | 54.1 Ų | 54.1 | 15% | 0.148 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -61.3 | -43.9 | 175.3 | 169 | 0 | 0 | 0 | 0 | 111.7 | P1893 S1895 Y1896 E1923 Q1924 F1930 K1931 | P1893-V1927 HydrophobicContact CB-CG2 3.94Å; P1893-V1927 HydrophobicContact CG-CB 4.34Å; P1893-V1927 HydrophobicContact CG-CG2 3.97Å; S1895-V1927 VanDerWaalsContact OG-CG2 3.3Å; S1895-V1927 WeakPolarHBondContact OG-CG2 3.23Å; Y1896-V1927 HydrophobicContact CD2-CG1 4.36Å; E1923-V1927 HydrophobicContact CG-CG2 4.49Å; E1923-V1927 WeakPolarHBondContact O-CB 3.32Å; E1923-V1927 VanDerWaalsContact O-CG2 3.26Å; E1923-V1927 WeakPolarHBondContact O-CG2 3.38Å; E1923-V1927 PolarHBondContact O-N 3.21Å; Q1924-V1927 WeakPolarHBondContact O-CB 3.44Å; Q1924-V1927 PolarHBondContact O-N 3.24Å; V1927-F1930 PolarHBondContact O-N 3.1Å; V1927-K1931 HydrophobicContact CG1-CD 4.31Å; V1927-K1931 WeakPolarHBondContact O-CG 3.26Å; V1927-K1931 PolarHBondContact O-N 3Å |
| 1928 | D | 85.4 | Confident | 78.8 | Confident | 39 Ų | 39 | 54.3 Ų | 54.3 | 21% | 0.209 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -68.8 | -39.9 | -179.1 | -70 | -19.1 | 0 | 0 | 0 | 111.5 | Q1924 L1925 F1930 K1931 F1932 | Q1924-D1928 VanDerWaalsContact NE2-CG 3.33Å; Q1924-D1928 PolarHBondContact NE2-OD1 2.94Å; Q1924-D1928 PolarHBondContact NE2-OD2 3.12Å; Q1924-D1928 WeakPolarHBondContact O-CB 3.43Å; Q1924-D1928 VanDerWaalsContact O-CG 3.23Å; Q1924-D1928 PolarHBondContact O-N 3.03Å; L1925-D1928 PolarHBondContact O-N 3.27Å; D1928-F1930 VanDerWaalsContact C-N 3.34Å; D1928-K1931 PolarHBondContact O-N 3.01Å; D1928-K1931 IonicContact OD1-NZ 2.94Å; D1928-K1931 PolarHBondContact OD1-NZ 3.23Å; D1928-F1932 WeakPolarHBondContact O-CB 3.35Å; D1928-F1932 PolarHBondContact O-N 3.18Å; D1928-F1932 VanDerWaalsContact O-N 3.09Å |
| 1929 | L | 87.2 | Confident | 79.4 | Confident | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -64.9 | -38.3 | 171.8 | -74.2 | 176.2 | 0 | 0 | 0 | 112.5 | L1925 E1926 F1932 L1933 L1976 L2063 M2079 R2082 L2083 L2086 | L1925-L1929 WeakPolarHBondContact O-CG 3.29Å; L1925-L1929 PolarHBondContact O-N 3.08Å; E1926-L1929 PolarHBondContact O-N 3.24Å; L1929-F1932 WeakPolarHBondContact O-CB 3.45Å; L1929-F1932 PolarHBondContact O-N 3.03Å; L1929-L1933 WeakPolarHBondContact O-CB 3.35Å; L1929-L1933 PolarHBondContact O-N 3.06Å; L1929-L1976 HydrophobicContact CB-CD2 3.75Å; L1929-L2063 HydrophobicContact CB-CD1 3.92Å; L1929-L2063 HydrophobicContact CB-CD2 4.38Å; L1929-L2063 HydrophobicContact CD1-CD1 4.11Å; L1929-L2063 HydrophobicContact CD2-CD1 4.21Å; L1929-L2063 HydrophobicContact CG-CD1 4.32Å; L1929-M2079 HydrophobicContact CD2-CB 4.16Å; L1929-M2079 HydrophobicContact CD2-CG 4.47Å; L1929-M2079 WeakPolarHBondContact CD2-O 3.34Å; L1929-M2079 HydrophobicContact CD2-SD 3.97Å; L1929-R2082 HydrophobicContact CD1-CB 4.27Å; L1929-R2082 HydrophobicContact CD2-CB 4.03Å; L1929-R2082 HydrophobicContact CG-CB 4.12Å; L1929-L2083 HydrophobicContact CD1-CB 4.26Å; L1929-L2083 HydrophobicContact CD1-CD1 4.44Å; L1929-L2083 HydrophobicContact CD2-CB 4.49Å; L1929-L2086 HydrophobicContact CD1-CD1 3.5Å; L1929-L2086 VanDerWaalsContact CD1-CD1 3.44Å; L1929-L2086 HydrophobicContact CD1-CG 4.38Å |
| 1930 | F | 87.3 | Confident | 79.8 | Confident | 15.4 Ų | 15.4 | 54.5 Ų | 54.5 | 7% | 0.068 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -66.5 | -43.4 | 176.6 | -177.6 | -97.8 | 0 | 0 | 0 | 111.7 | I1890 P1892 P1893 Y1896 E1926 V1927 D1928 F1932 L1933 I1934 T1945 L1976 | I1890-F1930 HydrophobicContact CB-CE2 4.27Å; I1890-F1930 HydrophobicContact CG2-CD2 4.15Å; I1890-F1930 HydrophobicContact CG2-CE2 3.63Å; P1892-F1930 HydrophobicContact CB-CD1 4.35Å; P1892-F1930 HydrophobicContact CB-CE1 3.87Å; P1892-F1930 HydrophobicContact CB-CE2 4.3Å; P1892-F1930 HydrophobicContact CB-CZ 3.86Å; P1892-F1930 HydrophobicContact CG-CE1 4.32Å; P1892-F1930 HydrophobicContact CG-CZ 3.96Å; P1893-F1930 VanDerWaalsContact CD-CD1 3.47Å; P1893-F1930 VanDerWaalsContact CD-CG 3.5Å; P1893-F1930 HydrophobicContact CG-CB 3.67Å; P1893-F1930 HydrophobicContact CG-CD1 4.15Å; P1893-F1930 HydrophobicContact CG-CD2 4.36Å; P1893-F1930 HydrophobicContact CG-CG 3.92Å; Y1896-F1930 HydrophobicContact CD1-CD1 4.11Å; Y1896-F1930 AromaticContact CD1-CE1 3.88Å; Y1896-F1930 HydrophobicContact CD1-CE1 3.88Å; Y1896-F1930 AromaticContact CD2-CD1 3.82Å; Y1896-F1930 HydrophobicContact CD2-CD1 3.82Å; Y1896-F1930 HydrophobicContact CD2-CE1 4.34Å; Y1896-F1930 HydrophobicContact CE1-CD1 4.16Å; Y1896-F1930 AromaticContact CE1-CE1 3.7Å; Y1896-F1930 HydrophobicContact CE1-CE1 3.7Å; Y1896-F1930 AromaticContact CE2-CD1 3.7Å; Y1896-F1930 HydrophobicContact CE2-CD1 3.87Å; Y1896-F1930 HydrophobicContact CE2-CE1 4.16Å; Y1896-F1930 AromaticContact CG-CD1 3.95Å; Y1896-F1930 HydrophobicContact CG-CD1 3.95Å; Y1896-F1930 HydrophobicContact CG-CE1 4.21Å; Y1896-F1930 AromaticContact CZ-CD1 3.92Å; Y1896-F1930 AromaticContact CZ-CE1 3.84Å; E1926-F1930 VanDerWaalsContact O-CB 3.3Å; E1926-F1930 WeakPolarHBondContact O-CB 3.26Å; E1926-F1930 PolarHBondContact O-N 2.89Å; V1927-F1930 PolarHBondContact O-N 3.1Å; D1928-F1930 VanDerWaalsContact C-N 3.34Å; F1930-F1932 VanDerWaalsContact C-N 3.34Å; F1930-F1932 PolarHBondContact O-N 3.33Å; F1930-L1933 WeakPolarHBondContact O-CB 3.37Å; F1930-L1933 PolarHBondContact O-N 2.95Å; F1930-I1934 HydrophobicContact CD1-CG1 4.16Å; F1930-I1934 HydrophobicContact CE1-CD1 4.26Å; F1930-I1934 HydrophobicContact CE1-CG1 3.73Å; F1930-I1934 HydrophobicContact CE2-CD1 4.26Å; F1930-I1934 HydrophobicContact CE2-CG1 4.3Å; F1930-I1934 HydrophobicContact CZ-CD1 3.86Å; F1930-I1934 HydrophobicContact CZ-CG1 3.84Å; F1930-I1934 WeakPolarHBondContact O-CG1 3.32Å; F1930-I1934 PolarHBondContact O-N 3.18Å; F1930-T1945 HydrophobicContact CE2-CG2 4.45Å; F1930-T1945 HydrophobicContact CZ-CG2 3.94Å; F1930-L1976 HydrophobicContact CB-CD2 4.28Å |
| 1931 | K | 85.6 | Confident | 79.8 | Confident | 102.6 Ų | 102.6 | 51.3 Ų | 51.3 | 45% | 0.446 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -57.2 | -49.9 | 172.8 | -74.8 | 171.3 | -175.1 | 167 | 0 | 111 | Y1896 V1927 D1928 L1933 I1934 D1935 | Y1896-K1931 HydrophobicContact CD2-CG 4.02Å; Y1896-K1931 HydrophobicContact CE2-CG 3.7Å; V1927-K1931 HydrophobicContact CG1-CD 4.31Å; V1927-K1931 WeakPolarHBondContact O-CG 3.26Å; V1927-K1931 PolarHBondContact O-N 3Å; D1928-K1931 PolarHBondContact O-N 3.01Å; D1928-K1931 IonicContact OD1-NZ 2.94Å; D1928-K1931 PolarHBondContact OD1-NZ 3.23Å; K1931-L1933 VanDerWaalsContact C-N 3.3Å; K1931-L1933 PolarHBondContact O-N 2.95Å; K1931-I1934 PolarHBondContact O-N 3.11Å; K1931-I1934 VanDerWaalsContact O-N 3.08Å; K1931-D1935 VanDerWaalsContact O-CG 3.29Å; K1931-D1935 PolarHBondContact O-N 3.2Å |
| 1932 | F | 86.7 | Confident | 79.5 | Confident | 11.2 Ų | 11.2 | 50.4 Ų | 50.4 | 5% | 0.049 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -54.8 | -45.6 | 176.1 | 167.4 | -98.6 | 0 | 0 | 0 | 112.2 | D1928 L1929 F1930 I1934 D1935 Q1936 L2063 C2066 I2067 L2070 I2075 M2079 | D1928-F1932 WeakPolarHBondContact O-CB 3.35Å; D1928-F1932 PolarHBondContact O-N 3.18Å; D1928-F1932 VanDerWaalsContact O-N 3.09Å; L1929-F1932 WeakPolarHBondContact O-CB 3.45Å; L1929-F1932 PolarHBondContact O-N 3.03Å; F1930-F1932 VanDerWaalsContact C-N 3.34Å; F1930-F1932 PolarHBondContact O-N 3.33Å; F1932-I1934 PolarHBondContact O-N 3.42Å; F1932-D1935 PolarHBondContact O-N 3.11Å; F1932-Q1936 HydrophobicContact CD2-CG 3.85Å; F1932-Q1936 HydrophobicContact CE1-CG 4.42Å; F1932-Q1936 HydrophobicContact CE2-CB 4.5Å; F1932-Q1936 HydrophobicContact CE2-CG 3.45Å; F1932-Q1936 VanDerWaalsContact CE2-CG 3.44Å; F1932-Q1936 HydrophobicContact CG-CG 4.44Å; F1932-Q1936 HydrophobicContact CZ-CB 4.44Å; F1932-Q1936 HydrophobicContact CZ-CG 3.77Å; F1932-Q1936 WeakPolarHBondContact O-CB 3.43Å; F1932-Q1936 VanDerWaalsContact O-CG 3.27Å; F1932-Q1936 WeakPolarHBondContact O-CG 3.25Å; F1932-Q1936 PolarHBondContact O-N 3.04Å; F1932-L2063 HydrophobicContact CD1-CD2 4.41Å; F1932-C2066 HydrophobicContact CE1-CB 4.06Å; F1932-C2066 HydrophobicContact CZ-CB 4.41Å; F1932-I2067 HydrophobicContact CE1-CG1 4Å; F1932-I2067 HydrophobicContact CZ-CG1 4.28Å; F1932-L2070 HydrophobicContact CE2-CD1 3.77Å; F1932-L2070 HydrophobicContact CE2-CD2 3.98Å; F1932-L2070 HydrophobicContact CE2-CG 4.37Å; F1932-L2070 HydrophobicContact CZ-CD1 3.67Å; F1932-L2070 HydrophobicContact CZ-CD2 4.13Å; F1932-L2070 HydrophobicContact CZ-CG 4.05Å; F1932-I2075 HydrophobicContact CD2-CG2 4.33Å; F1932-I2075 HydrophobicContact CE2-CG2 4.15Å; F1932-M2079 HydrophobicContact CB-CE 3.91Å; F1932-M2079 HydrophobicContact CB-CG 4.32Å; F1932-M2079 HydrophobicContact CB-SD 3.93Å; F1932-M2079 HydrophobicContact CD1-CB 4.39Å; F1932-M2079 HydrophobicContact CD1-CG 4.1Å; F1932-M2079 HydrophobicContact CD1-SD 4.38Å; F1932-M2079 HydrophobicContact CD2-CE 3.86Å; F1932-M2079 HydrophobicContact CD2-CG 3.8Å; F1932-M2079 HydrophobicContact CD2-SD 4.16Å; F1932-M2079 HydrophobicContact CE1-CB 4.44Å; F1932-M2079 HydrophobicContact CE1-CG 4.26Å; F1932-M2079 HydrophobicContact CE2-CE 4.49Å; F1932-M2079 HydrophobicContact CE2-CG 3.94Å; F1932-M2079 HydrophobicContact CG-CE 4.03Å; F1932-M2079 HydrophobicContact CG-CG 3.87Å; F1932-M2079 HydrophobicContact CG-SD 3.88Å; F1932-M2079 HydrophobicContact CZ-CB 4.49Å; F1932-M2079 HydrophobicContact CZ-CG 4.19Å |
| 1933 | L | 85.4 | Confident | 79.7 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -58.6 | -51.2 | 176.7 | 178.3 | 97.1 | 0 | 0 | 0 | 111.3 | I1890 L1929 F1930 K1931 D1935 Q1936 I1937 L1976 L2062 L2063 | I1890-L1933 HydrophobicContact CD1-CD2 3.7Å; I1890-L1933 VanDerWaalsContact CD1-CD2 3.43Å; L1929-L1933 WeakPolarHBondContact O-CB 3.35Å; L1929-L1933 PolarHBondContact O-N 3.06Å; F1930-L1933 WeakPolarHBondContact O-CB 3.37Å; F1930-L1933 PolarHBondContact O-N 2.95Å; K1931-L1933 VanDerWaalsContact C-N 3.3Å; K1931-L1933 PolarHBondContact O-N 2.95Å; L1933-D1935 VanDerWaalsContact C-N 3.29Å; L1933-D1935 PolarHBondContact O-N 3.06Å; L1933-Q1936 PolarHBondContact O-N 3.25Å; L1933-I1937 HydrophobicContact CD1-CD1 3.91Å; L1933-I1937 HydrophobicContact CD1-CG1 4.01Å; L1933-I1937 HydrophobicContact CD2-CD1 3.98Å; L1933-I1937 HydrophobicContact CG-CD1 3.75Å; L1933-I1937 HydrophobicContact CG-CG1 4.33Å; L1933-I1937 VanDerWaalsContact O-CD1 3.27Å; L1933-I1937 WeakPolarHBondContact O-CD1 3.37Å; L1933-I1937 WeakPolarHBondContact O-CG1 3.34Å; L1933-I1937 PolarHBondContact O-N 3.23Å; L1933-I1937 VanDerWaalsContact O-N 3.08Å; L1933-L1976 HydrophobicContact CD1-CD1 4.01Å; L1933-L1976 HydrophobicContact CD2-CD1 3.81Å; L1933-L2062 HydrophobicContact CD1-CB 3.94Å; L1933-L2063 HydrophobicContact CB-CD2 3.94Å; L1933-L2063 HydrophobicContact CD1-CB 4.33Å; L1933-L2063 HydrophobicContact CD1-CD2 3.89Å; L1933-L2063 HydrophobicContact CD1-CG 3.84Å; L1933-L2063 HydrophobicContact CG-CD2 4.43Å |
| 1934 | I | 83.1 | Confident | 80.2 | Confident | 38.2 Ų | 38.2 | 49.9 Ų | 49.9 | 20% | 0.196 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -60 | -39.4 | -179.9 | -63.9 | -60.6 | 0 | 0 | 0 | 111.8 | K1867 F1930 K1931 F1932 I1937 I1943 T1945 | K1867-I1934 VanDerWaalsContact CE-O 3.23Å; K1867-I1934 WeakPolarHBondContact CE-O 3.36Å; K1867-I1934 PolarHBondContact NZ-O 3.33Å; F1930-I1934 HydrophobicContact CD1-CG1 4.16Å; F1930-I1934 HydrophobicContact CE1-CD1 4.26Å; F1930-I1934 HydrophobicContact CE1-CG1 3.73Å; F1930-I1934 HydrophobicContact CE2-CD1 4.26Å; F1930-I1934 HydrophobicContact CE2-CG1 4.3Å; F1930-I1934 HydrophobicContact CZ-CD1 3.86Å; F1930-I1934 HydrophobicContact CZ-CG1 3.84Å; F1930-I1934 WeakPolarHBondContact O-CG1 3.32Å; F1930-I1934 PolarHBondContact O-N 3.18Å; K1931-I1934 PolarHBondContact O-N 3.11Å; K1931-I1934 VanDerWaalsContact O-N 3.08Å; F1932-I1934 PolarHBondContact O-N 3.42Å; I1934-I1937 HydrophobicContact CD1-CD1 4.36Å; I1934-I1943 HydrophobicContact CD1-CD1 4.29Å; I1934-T1945 HydrophobicContact CD1-CG2 3.64Å |
| 1935 | D | 82.8 | Confident | 80.5 | Confident | 114.4 Ų | 114.4 | 46.4 Ų | 46.4 | 61% | 0.612 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -67.8 | -40.3 | 179.2 | -69.6 | -19.6 | 0 | 0 | 0 | 112.2 | K1867 K1931 F1932 L1933 | K1867-D1935 PolarHBondContact NZ-O 3.02Å; K1931-D1935 VanDerWaalsContact O-CG 3.29Å; K1931-D1935 PolarHBondContact O-N 3.2Å; F1932-D1935 PolarHBondContact O-N 3.11Å; L1933-D1935 VanDerWaalsContact C-N 3.29Å; L1933-D1935 PolarHBondContact O-N 3.06Å |
| 1936 | Q | 83 | Confident | 80.7 | Confident | 76.2 Ų | 76.2 | 45.9 Ų | 45.9 | 36% | 0.356 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -90.1 | -11.7 | -173.2 | -64.3 | -57.6 | -43.2 | 0 | 0 | 115.8 | F1932 L1933 N1938 C2066 R2069 L2070 | F1932-Q1936 HydrophobicContact CD2-CG 3.85Å; F1932-Q1936 HydrophobicContact CE1-CG 4.42Å; F1932-Q1936 HydrophobicContact CE2-CB 4.5Å; F1932-Q1936 HydrophobicContact CE2-CG 3.45Å; F1932-Q1936 VanDerWaalsContact CE2-CG 3.44Å; F1932-Q1936 HydrophobicContact CG-CG 4.44Å; F1932-Q1936 HydrophobicContact CZ-CB 4.44Å; F1932-Q1936 HydrophobicContact CZ-CG 3.77Å; F1932-Q1936 WeakPolarHBondContact O-CB 3.43Å; F1932-Q1936 VanDerWaalsContact O-CG 3.27Å; F1932-Q1936 WeakPolarHBondContact O-CG 3.25Å; F1932-Q1936 PolarHBondContact O-N 3.04Å; L1933-Q1936 PolarHBondContact O-N 3.25Å; Q1936-N1938 PolarHBondContact O-N 3.04Å; Q1936-C2066 HydrophobicContact CB-CB 4.29Å; Q1936-R2069 PolarHBondContact O-NH2 3.12Å; Q1936-L2070 HydrophobicContact CG-CD1 3.83Å; Q1936-L2070 HydrophobicContact CG-CD2 4.32Å; Q1936-L2070 VanDerWaalsContact OE1-CD1 3.25Å |
| 1937 | I | 78.8 | Confident | 80.8 | Confident | 10.2 Ų | 10.2 | 45 Ų | 45 | 5% | 0.052 | 24% | 0.241 | C | C | . | . | trans | -60.3 | 129.4 | 175.4 | -82.5 | 162.2 | 0 | 0 | 0 | 110.3 | K1867 L1933 I1934 D1941 I1943 | K1867-I1937 HydrophobicContact CB-CG2 4.46Å; K1867-I1937 HydrophobicContact CD-CG2 4.34Å; K1867-I1937 VanDerWaalsContact CD-O 3.24Å; K1867-I1937 WeakPolarHBondContact CD-O 3.41Å; K1867-I1937 VanDerWaalsContact CE-O 3.29Å; K1867-I1937 WeakPolarHBondContact CE-O 3.39Å; K1867-I1937 PolarHBondContact NZ-O 3.35Å; L1933-I1937 HydrophobicContact CD1-CD1 3.91Å; L1933-I1937 HydrophobicContact CD1-CG1 4.01Å; L1933-I1937 HydrophobicContact CD2-CD1 3.98Å; L1933-I1937 HydrophobicContact CG-CD1 3.75Å; L1933-I1937 HydrophobicContact CG-CG1 4.33Å; L1933-I1937 VanDerWaalsContact O-CD1 3.27Å; L1933-I1937 WeakPolarHBondContact O-CD1 3.37Å; L1933-I1937 WeakPolarHBondContact O-CG1 3.34Å; L1933-I1937 PolarHBondContact O-N 3.23Å; L1933-I1937 VanDerWaalsContact O-N 3.08Å; I1934-I1937 HydrophobicContact CD1-CD1 4.36Å; I1937-D1941 HydrophobicContact CB-CB 4.48Å; I1937-D1941 HydrophobicContact CG2-CB 4Å; I1937-I1943 HydrophobicContact CD1-CB 4.34Å; I1937-I1943 HydrophobicContact CD1-CD1 3.55Å; I1937-I1943 VanDerWaalsContact CD1-CD1 3.44Å; I1937-I1943 HydrophobicContact CD1-CG1 4.27Å; I1937-I1943 HydrophobicContact CD1-CG2 4.17Å; I1937-I1943 HydrophobicContact CG1-CD1 3.59Å; I1937-I1943 HydrophobicContact CG1-CG2 4Å; I1937-I1943 HydrophobicContact CG2-CD1 4.27Å; I1937-I1943 HydrophobicContact CG2-CG1 4.27Å; I1937-I1943 HydrophobicContact CG2-CG2 4.03Å | ||
| 1938 | N | 71.9 | Confident | 80.8 | Confident | 75.8 Ų | 75.8 | 47.5 Ų | 47.5 | 41% | 0.405 | 26% | 0.258 | S | S | . | . | trans | -85.4 | 161.4 | 174.1 | -72.5 | -20.7 | 0 | 0 | 0 | 110.6 | Q1936 S1940 D1941 R2069 | Q1936-N1938 PolarHBondContact O-N 3.04Å; N1938-S1940 VanDerWaalsContact CB-OG 3.31Å; N1938-S1940 WeakPolarHBondContact CB-OG 3.33Å; N1938-S1940 PolarHBondContact O-N 3.15Å; N1938-S1940 VanDerWaalsContact O-N 3.09Å; N1938-D1941 WeakPolarHBondContact CB-OD2 3.41Å; N1938-D1941 PolarHBondContact N-OD2 3.21Å; N1938-D1941 WeakPolarHBondContact O-CB 3.37Å; N1938-D1941 PolarHBondContact O-N 3.11Å; N1938-R2069 VanDerWaalsContact CG-CZ 3.48Å; N1938-R2069 VanDerWaalsContact CG-NH1 3.32Å; N1938-R2069 VanDerWaalsContact CG-NH2 3.28Å; N1938-R2069 VanDerWaalsContact ND2-CZ 3.27Å; N1938-R2069 PolarHBondContact ND2-NH1 2.97Å; N1938-R2069 PolarHBondContact ND2-NH2 3.16Å; N1938-R2069 PolarHBondContact OD1-NH2 3.15Å; N1938-R2069 VanDerWaalsContact OD1-NH2 3.1Å | ||
| 1939 | D | 66.5 | Low | 80.7 | Confident | 156.6 Ų | 156.6 | 48.2 Ų | 48.2 | 84% | 0.837 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | -19.5 | 175.3 | -62.9 | -26.2 | 0 | 0 | 0 | 113.2 | D1941 | D1939-D1941 VanDerWaalsContact C-N 3.34Š|
| 1940 | S | 65 | Low | 80.6 | Confident | 84.8 Ų | 84.8 | 48.2 Ų | 48.2 | 59% | 0.593 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.6 | -25.4 | 172.4 | 56.4 | 0 | 0 | 0 | 0 | 114 | N1938 C1942 | N1938-S1940 VanDerWaalsContact CB-OG 3.31Å; N1938-S1940 WeakPolarHBondContact CB-OG 3.33Å; N1938-S1940 PolarHBondContact O-N 3.15Å; N1938-S1940 VanDerWaalsContact O-N 3.09Å; S1940-C1942 PolarHBondContact O-N 2.97Å; S1940-C1942 VanDerWaalsContact O-N 3.1Å |
| 1941 | D | 66.4 | Low | 80.3 | Confident | 40.4 Ų | 40.4 | 48.4 Ų | 48.4 | 22% | 0.216 | 26% | 0.26 | C | S | . | . | S | Bend | trans | -84.6 | 95.4 | -171.9 | -55.5 | -28.3 | 0 | 0 | 0 | 107.9 | I1937 N1938 D1939 I1943 L2062 R2069 | I1937-D1941 HydrophobicContact CB-CB 4.48Å; I1937-D1941 HydrophobicContact CG2-CB 4Å; N1938-D1941 WeakPolarHBondContact CB-OD2 3.41Å; N1938-D1941 PolarHBondContact N-OD2 3.21Å; N1938-D1941 WeakPolarHBondContact O-CB 3.37Å; N1938-D1941 PolarHBondContact O-N 3.11Å; D1939-D1941 VanDerWaalsContact C-N 3.34Å; D1941-I1943 VanDerWaalsContact C-N 3.29Å; D1941-I1943 HydrophobicContact CB-CD1 4.17Å; D1941-I1943 WeakPolarHBondContact O-CD1 3.31Å; D1941-I1943 PolarHBondContact O-N 3.11Å; D1941-L2062 HydrophobicContact CB-CD2 4.24Å; D1941-R2069 IonicContact OD1-CZ 3.58Å; D1941-R2069 IonicContact OD1-NH1 3.66Å; D1941-R2069 PolarHBondContact OD1-NH1 3.32Å; D1941-R2069 IonicContact OD1-NH2 3.28Å; D1941-R2069 IonicContact OD2-CZ 3.6Å; D1941-R2069 IonicContact OD2-NH1 2.87Å; D1941-R2069 PolarHBondContact OD2-NH1 2.95Å; D1941-R2069 IonicContact OD2-NH2 2.75Å; D1941-R2069 PolarHBondContact OD2-NH2 2.98Å |
| 1942 | C | 69.1 | Low | 79.9 | Confident | 68 Ų | 68 | 50.1 Ų | 50.1 | 46% | 0.459 | 27% | 0.269 | S | S | . | . | trans | -71.4 | 72.6 | -172.3 | -77 | 0 | 0 | 0 | 0 | 113.4 | K1887 P1888 S1940 | K1887-C1942 VanDerWaalsContact CA-O 3.31Å; K1887-C1942 WeakPolarHBondContact CA-O 3.38Å; K1887-C1942 WeakPolarHBondContact CB-O 3.44Å; K1887-C1942 HydrophobicContact CD-CB 3.93Å; K1887-C1942 HydrophobicContact CG-CB 3.99Å; P1888-C1942 WeakPolarHBondContact CD-O 3.35Å; S1940-C1942 PolarHBondContact O-N 2.97Å; S1940-C1942 VanDerWaalsContact O-N 3.1Å | ||
| 1943 | I | 80.1 | Confident | 78.9 | Confident | 19 Ų | 19 | 53.6 Ų | 53.6 | 10% | 0.097 | 31% | 0.308 | C | S | . | . | trans | -114.7 | 148.1 | 179.8 | -67.3 | 152.8 | 0 | 0 | 0 | 110.9 | P1888 I1890 I1934 I1937 D1941 L2062 | P1888-I1943 HydrophobicContact CG-CB 4.36Å; P1888-I1943 HydrophobicContact CG-CG1 4.17Å; P1888-I1943 HydrophobicContact CG-CG2 3.96Å; I1890-I1943 HydrophobicContact CB-CD1 4.23Å; I1890-I1943 HydrophobicContact CD1-CD1 3.63Å; I1890-I1943 HydrophobicContact CD1-CG1 4.49Å; I1890-I1943 HydrophobicContact CD1-CG2 3.83Å; I1890-I1943 HydrophobicContact CG1-CD1 3.43Å; I1890-I1943 VanDerWaalsContact CG1-CD1 3.43Å; I1890-I1943 HydrophobicContact CG1-CG1 4.35Å; I1890-I1943 HydrophobicContact CG1-CG2 4.09Å; I1934-I1943 HydrophobicContact CD1-CD1 4.29Å; I1937-I1943 HydrophobicContact CD1-CB 4.34Å; I1937-I1943 HydrophobicContact CD1-CD1 3.55Å; I1937-I1943 VanDerWaalsContact CD1-CD1 3.44Å; I1937-I1943 HydrophobicContact CD1-CG1 4.27Å; I1937-I1943 HydrophobicContact CD1-CG2 4.17Å; I1937-I1943 HydrophobicContact CG1-CD1 3.59Å; I1937-I1943 HydrophobicContact CG1-CG2 4Å; I1937-I1943 HydrophobicContact CG2-CD1 4.27Å; I1937-I1943 HydrophobicContact CG2-CG1 4.27Å; I1937-I1943 HydrophobicContact CG2-CG2 4.03Å; D1941-I1943 VanDerWaalsContact C-N 3.29Å; D1941-I1943 HydrophobicContact CB-CD1 4.17Å; D1941-I1943 WeakPolarHBondContact O-CD1 3.31Å; D1941-I1943 PolarHBondContact O-N 3.11Å; I1943-L2062 HydrophobicContact CB-CD1 4.03Å; I1943-L2062 HydrophobicContact CD1-CD1 3.51Å; I1943-L2062 VanDerWaalsContact CD1-CD1 3.49Å; I1943-L2062 HydrophobicContact CD1-CD2 3.68Å; I1943-L2062 HydrophobicContact CD1-CG 4.16Å; I1943-L2062 HydrophobicContact CG1-CD1 3.8Å; I1943-L2062 HydrophobicContact CG1-CD2 4.23Å; I1943-L2062 HydrophobicContact CG2-CD1 4.49Å | ||
| 1944 | Y | 85.8 | Confident | 77.9 | Confident | 46.2 Ų | 46.2 | 55.2 Ų | 55.2 | 18% | 0.181 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 153.2 | 171.2 | -66.3 | -69.7 | 0 | 0 | 0 | 111.2 | V1864 N1866 L1874 K1887 P1888 I1889 I1890 | V1864-Y1944 HydrophobicContact CB-CD1 4.36Å; V1864-Y1944 HydrophobicContact CB-CG 4.29Å; V1864-Y1944 HydrophobicContact CG2-CD1 3.73Å; V1864-Y1944 HydrophobicContact CG2-CD2 4.45Å; V1864-Y1944 HydrophobicContact CG2-CE1 4.33Å; V1864-Y1944 HydrophobicContact CG2-CG 3.83Å; N1866-Y1944 HydrophobicContact CB-CD1 4.17Å; N1866-Y1944 HydrophobicContact CB-CE1 4.25Å; L1874-Y1944 HydrophobicContact CD1-CD2 3.74Å; L1874-Y1944 HydrophobicContact CD1-CE2 4.09Å; L1874-Y1944 HydrophobicContact CD1-CG 4.28Å; L1874-Y1944 HydrophobicContact CD2-CE2 4.19Å; K1887-Y1944 HydrophobicContact CB-CD2 4.14Å; K1887-Y1944 HydrophobicContact CB-CE2 4.07Å; K1887-Y1944 HydrophobicContact CD-CD2 4.42Å; K1887-Y1944 HydrophobicContact CD-CE2 3.58Å; K1887-Y1944 HydrophobicContact CG-CE2 4.38Å; P1888-Y1944 PolarHBondContact O-N 3.11Å; P1888-Y1944 VanDerWaalsContact O-N 3.12Å; I1889-Y1944 CarbonylContact C-O 3.53Å; I1889-Y1944 VanDerWaalsContact CA-O 3.3Å; I1889-Y1944 WeakPolarHBondContact CA-O 3.35Å; I1890-Y1944 PolarHBondContact N-O 3.31Å |
| 1945 | T | 87.2 | Confident | 76.8 | Confident | 22.8 Ų | 22.8 | 57.3 Ų | 57.3 | 14% | 0.14 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 149.7 | 169.4 | 57.3 | 0 | 0 | 0 | 0 | 110.3 | V1864 S1865 I1890 F1930 I1934 S1947 | V1864-T1945 CarbonylContact C-O 3.5Å; V1864-T1945 VanDerWaalsContact CA-O 3.23Å; V1864-T1945 WeakPolarHBondContact CA-O 3.33Å; V1864-T1945 WeakPolarHBondContact CB-O 3.36Å; S1865-T1945 PolarHBondContact N-O 3.02Å; S1865-T1945 PolarHBondContact O-N 3.15Å; S1865-T1945 PolarHBondContact O-OG1 3.28Å; I1890-T1945 CarbonylContact O-C 3.53Å; I1890-T1945 VanDerWaalsContact O-CA 3.29Å; I1890-T1945 WeakPolarHBondContact O-CA 3.34Å; F1930-T1945 HydrophobicContact CE2-CG2 4.45Å; F1930-T1945 HydrophobicContact CZ-CG2 3.94Å; I1934-T1945 HydrophobicContact CD1-CG2 3.64Å; T1945-S1947 PolarHBondContact O-N 3.08Å |
| 1946 | V | 88.8 | Confident | 75.7 | Confident | 0.6 Ų | 0.6 | 56.7 Ų | 56.7 | 0% | 0.004 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.4 | 129.9 | 169.7 | 173.2 | 0 | 0 | 0 | 0 | 109.1 | I1889 I1890 L1891 Y1950 F1951 F1968 V1973 | I1889-V1946 HydrophobicContact CG2-CG2 3.91Å; I1890-V1946 PolarHBondContact O-N 3.2Å; L1891-V1946 HydrophobicContact CB-CG2 4.38Å; L1891-V1946 HydrophobicContact CD1-CB 4.03Å; L1891-V1946 HydrophobicContact CD1-CG1 4.19Å; L1891-V1946 HydrophobicContact CD1-CG2 3.96Å; V1946-Y1950 HydrophobicContact CG1-CD2 3.58Å; V1946-Y1950 HydrophobicContact CG1-CE2 4.01Å; V1946-Y1950 HydrophobicContact CG1-CG 4.48Å; V1946-F1951 HydrophobicContact CG1-CE2 4.16Å; V1946-F1951 HydrophobicContact CG1-CZ 4.22Å; V1946-F1968 HydrophobicContact CG1-CD1 4.38Å; V1946-F1968 HydrophobicContact CG1-CD2 4.47Å; V1946-F1968 HydrophobicContact CG1-CE1 3.71Å; V1946-F1968 HydrophobicContact CG1-CE2 3.93Å; V1946-F1968 HydrophobicContact CG1-CZ 3.46Å; V1946-F1968 VanDerWaalsContact CG1-CZ 3.46Å; V1946-F1968 HydrophobicContact CG2-CD1 4.21Å; V1946-F1968 HydrophobicContact CG2-CE1 4.3Å; V1946-F1968 HydrophobicContact CG2-CG 4.43Å; V1946-V1973 HydrophobicContact CG2-CB 4.5Å; V1946-V1973 HydrophobicContact CG2-CG1 3.57Å; V1946-V1973 HydrophobicContact CG2-CG2 4.22Å |
| 1947 | S | 87.2 | Confident | 74.9 | Confident | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 33% | 0.33 | C | S | . | . | trans | -58.9 | 131.8 | -174.7 | 176.7 | 0 | 0 | 0 | 0 | 111.7 | V1863 S1865 N1871 T1945 K1949 Y1950 | V1863-S1947 VanDerWaalsContact O-CB 3.31Å; V1863-S1947 WeakPolarHBondContact O-CB 3.29Å; V1863-S1947 PolarHBondContact O-N 3.17Å; V1863-S1947 VanDerWaalsContact O-N 3.13Å; S1865-S1947 WeakPolarHBondContact OG-CA 3.37Å; S1865-S1947 WeakPolarHBondContact OG-CB 3.42Å; S1865-S1947 PolarHBondContact OG-OG 2.86Å; N1871-S1947 PolarHBondContact ND2-OG 3.04Å; N1871-S1947 WeakPolarHBondContact OD1-CB 3.2Å; N1871-S1947 PolarHBondContact OD1-OG 3.03Å; T1945-S1947 PolarHBondContact O-N 3.08Å; S1947-K1949 PolarHBondContact O-N 3.14Å; S1947-K1949 PolarHBondContact OG-N 3.07Å; S1947-Y1950 WeakPolarHBondContact O-CD2 3.29Å; S1947-Y1950 PolarHBondContact O-N 3.13Å; S1947-Y1950 VanDerWaalsContact O-N 3.15Å | ||
| 1948 | P | 82.6 | Confident | 74.4 | Confident | 76 Ų | 76 | 59.3 Ų | 59.3 | 49% | 0.494 | 36% | 0.357 | S | S | . | . | G | 310 helix | trans | -63 | -17.8 | 179.4 | 25.6 | -33.9 | 0 | 0 | 0 | 112.7 | S1865 Y1950 F1951 | S1865-P1948 WeakPolarHBondContact OG-CD 3.39Å; P1948-Y1950 PolarHBondContact O-N 3.11Å; P1948-Y1950 VanDerWaalsContact O-N 3.15Å; P1948-F1951 PolarHBondContact O-N 3.16Å; P1948-F1951 VanDerWaalsContact O-N 3.08Å |
| 1949 | K | 84 | Confident | 74.3 | Confident | 53 Ų | 53 | 61.1 Ų | 61.1 | 23% | 0.23 | 36% | 0.363 | C | S | . | . | G | 310 helix | trans | -59.9 | -26.5 | 176.9 | -66.6 | -175.4 | 176.8 | 175.4 | 0 | 113.8 | M1825 I1832 Q1836 N1871 S1947 F1951 Q1952 | M1825-K1949 VanDerWaalsContact CE-NZ 3.29Å; M1825-K1949 PolarHBondContact SD-NZ 3.49Å; I1832-K1949 HydrophobicContact CD1-CB 3.67Å; I1832-K1949 HydrophobicContact CD1-CD 4.01Å; I1832-K1949 HydrophobicContact CD1-CG 4.45Å; I1832-K1949 HydrophobicContact CG1-CB 4.47Å; I1832-K1949 HydrophobicContact CG2-CB 4.48Å; Q1836-K1949 PolarHBondContact NE2-O 3.02Å; Q1836-K1949 VanDerWaalsContact NE2-O 3.09Å; N1871-K1949 WeakPolarHBondContact ND2-CE 3.19Å; N1871-K1949 PolarHBondContact ND2-NZ 3.1Å; S1947-K1949 PolarHBondContact O-N 3.14Å; S1947-K1949 PolarHBondContact OG-N 3.07Å; K1949-F1951 PolarHBondContact O-N 3.16Å; K1949-F1951 VanDerWaalsContact O-N 3.1Å; K1949-Q1952 PolarHBondContact O-N 3.07Å |
| 1950 | Y | 85.1 | Confident | 74.7 | Confident | 0.8 Ų | 0.8 | 53.8 Ų | 53.8 | 0% | 0.003 | 32% | 0.324 | C | S | . | . | G | 310 helix | trans | -57.5 | -30.1 | 173.9 | -78.8 | -68.3 | 0 | 0 | 0 | 112.5 | I1832 A1835 Q1836 I1862 V1863 V1946 S1947 P1948 I1954 W1964 F1968 | I1832-Y1950 HydrophobicContact CB-CD1 4.26Å; I1832-Y1950 HydrophobicContact CB-CE1 4.27Å; I1832-Y1950 HydrophobicContact CG1-CD1 4.07Å; I1832-Y1950 HydrophobicContact CG1-CE1 3.94Å; I1832-Y1950 HydrophobicContact CG1-CG 4.41Å; I1832-Y1950 HydrophobicContact CG2-CD1 4.22Å; A1835-Y1950 HydrophobicContact CB-CD1 3.65Å; A1835-Y1950 HydrophobicContact CB-CE1 3.35Å; A1835-Y1950 VanDerWaalsContact CB-CE1 3.44Å; Q1836-Y1950 VanDerWaalsContact CG-O 3.26Å; Q1836-Y1950 WeakPolarHBondContact CG-O 3.08Å; Q1836-Y1950 PolarHBondContact NE2-O 3.16Å; I1862-Y1950 HydrophobicContact CG2-CE2 4.45Å; V1863-Y1950 HydrophobicContact CB-CE2 3.9Å; V1863-Y1950 HydrophobicContact CG2-CE2 4.44Å; V1863-Y1950 PolarHBondContact N-OH 3.06Å; V1863-Y1950 VanDerWaalsContact O-CE2 3.29Å; V1863-Y1950 WeakPolarHBondContact O-CE2 3.3Å; V1946-Y1950 HydrophobicContact CG1-CD2 3.58Å; V1946-Y1950 HydrophobicContact CG1-CE2 4.01Å; V1946-Y1950 HydrophobicContact CG1-CG 4.48Å; S1947-Y1950 WeakPolarHBondContact O-CD2 3.29Å; S1947-Y1950 PolarHBondContact O-N 3.13Å; S1947-Y1950 VanDerWaalsContact O-N 3.15Å; P1948-Y1950 PolarHBondContact O-N 3.11Å; P1948-Y1950 VanDerWaalsContact O-N 3.15Å; Y1950-I1954 VanDerWaalsContact O-CD1 3.23Å; Y1950-I1954 WeakPolarHBondContact O-CD1 3.34Å; Y1950-W1964 AromaticContact CD1-CH2 3.91Å; Y1950-W1964 HydrophobicContact CD1-CH2 3.98Å; Y1950-W1964 AromaticContact CD1-CZ3 3.94Å; Y1950-W1964 HydrophobicContact CD1-CZ3 3.97Å; Y1950-W1964 HydrophobicContact CG-CH2 4.35Å; Y1950-W1964 HydrophobicContact CG-CZ3 4.28Å; Y1950-W1964 WeakPolarHBondContact O-CZ2 3.34Å; Y1950-F1968 HydrophobicContact CD1-CZ 4.31Å; Y1950-F1968 HydrophobicContact CD2-CE1 4.33Å; Y1950-F1968 AromaticContact CD2-CZ 3.86Å; Y1950-F1968 HydrophobicContact CD2-CZ 3.9Å; Y1950-F1968 HydrophobicContact CE1-CZ 4.49Å; Y1950-F1968 HydrophobicContact CE2-CE1 4.14Å; Y1950-F1968 HydrophobicContact CE2-CZ 4.16Å; Y1950-F1968 AromaticContact CG-CZ 3.95Å; Y1950-F1968 HydrophobicContact CG-CZ 4.02Å |
| 1951 | F | 81.4 | Confident | 75.2 | Confident | 19.6 Ų | 19.6 | 50.3 Ų | 50.3 | 9% | 0.086 | 30% | 0.301 | C | S | . | . | G | 310 helix | trans | -105.9 | 2.1 | -169.6 | -49.5 | -67.4 | 0 | 0 | 0 | 114.6 | L1891 R1894 Y1896 T1897 V1946 P1948 K1949 G1953 W1964 F1968 | L1891-F1951 HydrophobicContact CD1-CE2 4.4Å; L1891-F1951 HydrophobicContact CD1-CZ 3.9Å; R1894-F1951 VanDerWaalsContact CZ-CB 3.46Å; R1894-F1951 VanDerWaalsContact CZ-CG 3.49Å; R1894-F1951 VanDerWaalsContact NH1-CD1 3.25Å; R1894-F1951 VanDerWaalsContact NH2-CG 3.32Å; Y1896-F1951 WeakPolarHBondContact OH-CE1 3.2Å; T1897-F1951 HydrophobicContact CG2-CD2 3.67Å; T1897-F1951 HydrophobicContact CG2-CE1 4.49Å; T1897-F1951 HydrophobicContact CG2-CE2 3.63Å; T1897-F1951 HydrophobicContact CG2-CG 4.24Å; T1897-F1951 HydrophobicContact CG2-CZ 4.17Å; V1946-F1951 HydrophobicContact CG1-CE2 4.16Å; V1946-F1951 HydrophobicContact CG1-CZ 4.22Å; P1948-F1951 PolarHBondContact O-N 3.16Å; P1948-F1951 VanDerWaalsContact O-N 3.08Å; K1949-F1951 PolarHBondContact O-N 3.16Å; K1949-F1951 VanDerWaalsContact O-N 3.1Å; F1951-G1953 PolarHBondContact O-N 3.06Å; F1951-W1964 HydrophobicContact CD1-CD2 4.35Å; F1951-W1964 HydrophobicContact CD1-CZ2 4.42Å; F1951-W1964 HydrophobicContact CE1-CB 4.48Å; F1951-W1964 AromaticContact CE1-CD2 3.82Å; F1951-W1964 HydrophobicContact CE1-CD2 3.82Å; F1951-W1964 AromaticContact CE1-CE2 3.98Å; F1951-W1964 HydrophobicContact CE1-CE3 4.2Å; F1951-W1964 AromaticContact CE1-CG 3.95Å; F1951-W1964 HydrophobicContact CE1-CG 3.98Å; F1951-W1964 HydrophobicContact CE1-CZ2 4.49Å; F1951-F1968 AromaticContact CE1-CE2 3.91Å; F1951-F1968 HydrophobicContact CE1-CE2 4.11Å; F1951-F1968 AromaticContact CZ-CE2 3.79Å; F1951-F1968 HydrophobicContact CZ-CE2 3.79Å; F1951-F1968 HydrophobicContact CZ-CZ 4.36Å |
| 1952 | Q | 76.2 | Confident | 75.7 | Confident | 137.8 Ų | 137.8 | 51.7 Ų | 51.7 | 64% | 0.644 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.6 | 127.7 | -178.9 | -107.6 | 176.6 | -7.5 | 0 | 0 | 111.1 | K1949 I1954 | K1949-Q1952 PolarHBondContact O-N 3.07Å; Q1952-I1954 VanDerWaalsContact C-N 3.33Å; Q1952-I1954 PolarHBondContact O-N 3.47Å |
| 1953 | G | 65.8 | Low | 76.2 | Confident | 84.2 Ų | 84.2 | 50.2 Ų | 50.2 | 87% | 0.868 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.9 | 10.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 116 | F1951 | F1951-G1953 PolarHBondContact O-N 3.06Š|
| 1954 | I | 65.6 | Low | 76.4 | Confident | 35.2 Ų | 35.2 | 49.7 Ų | 49.7 | 18% | 0.181 | 30% | 0.295 | C | S | . | . | trans | -104.3 | 130 | -175.1 | -57.3 | 177 | 0 | 0 | 0 | 111.1 | Q1836 L1840 Y1950 Q1952 T1956 Q1960 W1964 | Q1836-I1954 HydrophobicContact CB-CD1 4.24Å; Q1836-I1954 HydrophobicContact CG-CD1 3.96Å; L1840-I1954 HydrophobicContact CD1-CD1 4.32Å; L1840-I1954 HydrophobicContact CD2-CD1 4.42Å; L1840-I1954 HydrophobicContact CD2-CG2 3.97Å; Y1950-I1954 VanDerWaalsContact O-CD1 3.23Å; Y1950-I1954 WeakPolarHBondContact O-CD1 3.34Å; Q1952-I1954 VanDerWaalsContact C-N 3.33Å; Q1952-I1954 PolarHBondContact O-N 3.47Å; I1954-T1956 PolarHBondContact O-N 2.89Å; I1954-Q1960 VanDerWaalsContact CG2-OE1 3.3Å; I1954-W1964 HydrophobicContact CD1-CZ2 3.86Å | ||
| 1955 | S | 59.4 | Low | 76.2 | Confident | 81.6 Ų | 81.6 | 52.4 Ų | 52.4 | 57% | 0.571 | 31% | 0.306 | S | S | * | . | trans | -69.9 | 137.1 | 173.9 | 141.5 | 0 | 0 | 0 | 0 | 111.7 | N1957 Q1960 | S1955-N1957 VanDerWaalsContact C-N 3.31Å; S1955-N1957 PolarHBondContact O-N 3.09Å; S1955-N1957 VanDerWaalsContact O-N 3.07Å; S1955-Q1960 PolarHBondContact O-NE2 3.07Å; S1955-Q1960 PolarHBondContact O-OE1 3.02Å | ||
| 1956 | T | 59.4 | Low | 75.8 | Confident | 101.2 Ų | 101.2 | 53.7 Ų | 53.7 | 62% | 0.621 | 31% | 0.312 | S | S | * | . | trans | -75.3 | 75.4 | -176.8 | 54.9 | 0 | 0 | 0 | 0 | 112.9 | R1894 I1898 I1954 | R1894-T1956 PolarHBondContact NE-OG1 3.31Å; R1894-T1956 PolarHBondContact NH2-O 3.17Å; R1894-T1956 PolarHBondContact NH2-OG1 3.4Å; I1898-T1956 HydrophobicContact CB-CG2 4.4Å; I1898-T1956 HydrophobicContact CD1-CG2 3.85Å; I1898-T1956 WeakPolarHBondContact CD1-OG1 3.3Å; I1898-T1956 HydrophobicContact CG1-CG2 4.12Å; I1898-T1956 HydrophobicContact CG2-CG2 3.31Å; I1954-T1956 PolarHBondContact O-N 2.89Å | ||
| 1957 | N | 67.3 | Low | 75.7 | Confident | 45.6 Ų | 45.6 | 53.7 Ų | 53.7 | 24% | 0.244 | 31% | 0.312 | C | S | . | . | trans | -85.9 | 128.3 | 169.9 | -176 | -29.1 | 0 | 0 | 0 | 110 | I1746 S1955 Q1959 Q1960 G1961 | I1746-N1957 HydrophobicContact CG2-CB 4.32Å; I1746-N1957 WeakPolarHBondContact CG2-ND2 3.42Å; S1955-N1957 VanDerWaalsContact C-N 3.31Å; S1955-N1957 PolarHBondContact O-N 3.09Å; S1955-N1957 VanDerWaalsContact O-N 3.07Å; N1957-Q1959 VanDerWaalsContact C-N 3.25Å; N1957-Q1959 PolarHBondContact O-N 3.11Å; N1957-Q1959 VanDerWaalsContact O-N 3.15Å; N1957-Q1959 WeakPolarHBondContact OD1-CB 3.38Å; N1957-Q1959 PolarHBondContact OD1-N 3.08Å; N1957-Q1960 HydrophobicContact CB-CB 4.4Å; N1957-Q1960 HydrophobicContact CB-CG 4.03Å; N1957-Q1960 WeakPolarHBondContact O-CB 3.29Å; N1957-Q1960 PolarHBondContact O-N 3.25Å; N1957-Q1960 VanDerWaalsContact O-N 3.1Å; N1957-G1961 PolarHBondContact O-N 3.18Å; N1957-G1961 VanDerWaalsContact O-N 3.1Å | ||
| 1958 | P | 67.3 | Low | 75.7 | Confident | 95.4 Ų | 95.4 | 53.9 Ų | 53.9 | 62% | 0.619 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -56.4 | -31.5 | 178.7 | 21.5 | -33.2 | 0 | 0 | 0 | 114.2 | Q1960 G1961 S1962 | P1958-Q1960 VanDerWaalsContact C-N 3.33Å; P1958-Q1960 PolarHBondContact O-N 2.91Å; P1958-G1961 PolarHBondContact O-N 3.04Å; P1958-S1962 PolarHBondContact O-N 3.09Å |
| 1959 | Q | 70.9 | Confident | 75.7 | Confident | 113.4 Ų | 113.4 | 52.2 Ų | 52.2 | 53% | 0.53 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -67.3 | -32.3 | 175.8 | -66.3 | -178 | -11.6 | 0 | 0 | 112.9 | I1746 H1842 N1957 G1961 S1962 R1963 | I1746-Q1959 HydrophobicContact CG2-CB 3.79Å; H1842-Q1959 PolarHBondContact CE1-OE1 2.63Å; H1842-Q1959 PolarHBondContact ND1-OE1 2.86Å; N1957-Q1959 VanDerWaalsContact C-N 3.25Å; N1957-Q1959 PolarHBondContact O-N 3.11Å; N1957-Q1959 VanDerWaalsContact O-N 3.15Å; N1957-Q1959 WeakPolarHBondContact OD1-CB 3.38Å; N1957-Q1959 PolarHBondContact OD1-N 3.08Å; Q1959-G1961 VanDerWaalsContact C-N 3.32Å; Q1959-G1961 PolarHBondContact O-N 3.21Å; Q1959-S1962 PolarHBondContact O-N 3.07Å; Q1959-S1962 PolarHBondContact O-OG 3.17Å; Q1959-S1962 VanDerWaalsContact O-OG 3.06Å; Q1959-R1963 WeakPolarHBondContact O-CG 3.26Å; Q1959-R1963 PolarHBondContact O-N 2.9Å; Q1959-R1963 VanDerWaalsContact O-N 3.16Å |
| 1960 | Q | 75.1 | Confident | 75.5 | Confident | 5.2 Ų | 5.2 | 53.4 Ų | 53.4 | 2% | 0.024 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -70.9 | -37.9 | 173.8 | -64.8 | 171.2 | -1.8 | 0 | 0 | 110.4 | I1746 L1840 I1954 S1955 N1957 P1958 S1962 R1963 W1964 | I1746-Q1960 HydrophobicContact CB-CG 4.36Å; I1746-Q1960 HydrophobicContact CG2-CG 3.69Å; I1746-Q1960 PolarHBondContact O-NE2 3.19Å; L1840-Q1960 HydrophobicContact CD2-CG 4.19Å; L1840-Q1960 VanDerWaalsContact CD2-NE2 3.31Å; I1954-Q1960 VanDerWaalsContact CG2-OE1 3.3Å; S1955-Q1960 PolarHBondContact O-NE2 3.07Å; S1955-Q1960 PolarHBondContact O-OE1 3.02Å; N1957-Q1960 HydrophobicContact CB-CB 4.4Å; N1957-Q1960 HydrophobicContact CB-CG 4.03Å; N1957-Q1960 WeakPolarHBondContact O-CB 3.29Å; N1957-Q1960 PolarHBondContact O-N 3.25Å; N1957-Q1960 VanDerWaalsContact O-N 3.1Å; P1958-Q1960 VanDerWaalsContact C-N 3.33Å; P1958-Q1960 PolarHBondContact O-N 2.91Å; Q1960-S1962 VanDerWaalsContact C-N 3.32Å; Q1960-S1962 PolarHBondContact O-N 3.31Å; Q1960-R1963 CarbonylContact O-C 3.52Å; Q1960-R1963 PolarHBondContact O-N 3.17Å; Q1960-R1963 VanDerWaalsContact O-N 3.12Å; Q1960-W1964 VanDerWaalsContact O-CD1 3.25Å; Q1960-W1964 PolarHBondContact O-N 3.04Å |
| 1961 | G | 74.8 | Confident | 75.4 | Confident | 9.8 Ų | 9.8 | 53.4 Ų | 53.4 | 10% | 0.101 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -57.8 | -46.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y1896 N1957 P1958 Q1959 R1963 W1964 Y1965 | Y1896-G1961 VanDerWaalsContact CB-CA 3.44Å; Y1896-G1961 VanDerWaalsContact CD2-C 3.48Å; Y1896-G1961 VanDerWaalsContact CD2-CA 3.41Å; Y1896-G1961 VanDerWaalsContact CD2-O 3.28Å; Y1896-G1961 WeakPolarHBondContact CD2-O 3.24Å; N1957-G1961 PolarHBondContact O-N 3.18Å; N1957-G1961 VanDerWaalsContact O-N 3.1Å; P1958-G1961 PolarHBondContact O-N 3.04Å; Q1959-G1961 VanDerWaalsContact C-N 3.32Å; Q1959-G1961 PolarHBondContact O-N 3.21Å; G1961-R1963 VanDerWaalsContact C-N 3.29Å; G1961-R1963 PolarHBondContact O-N 3.13Å; G1961-W1964 WeakPolarHBondContact O-CB 3.46Å; G1961-W1964 PolarHBondContact O-N 3.01Å; G1961-Y1965 PolarHBondContact O-N 2.98Å |
| 1962 | S | 76.1 | Confident | 75.4 | Confident | 70.6 Ų | 70.6 | 53.5 Ų | 53.5 | 49% | 0.494 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -63.8 | -33.3 | 176 | 77.6 | 0 | 0 | 0 | 0 | 112.7 | P1958 Q1959 Q1960 Y1965 D1966 | P1958-S1962 PolarHBondContact O-N 3.09Å; Q1959-S1962 PolarHBondContact O-N 3.07Å; Q1959-S1962 PolarHBondContact O-OG 3.17Å; Q1959-S1962 VanDerWaalsContact O-OG 3.06Å; Q1960-S1962 VanDerWaalsContact C-N 3.32Å; Q1960-S1962 PolarHBondContact O-N 3.31Å; S1962-Y1965 PolarHBondContact O-N 3.02Å; S1962-D1966 WeakPolarHBondContact O-CB 3.33Å; S1962-D1966 PolarHBondContact O-N 2.99Å |
| 1963 | R | 79.7 | Confident | 75.8 | Confident | 36.6 Ų | 36.6 | 47.1 Ų | 47.1 | 14% | 0.138 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -73.4 | -36.8 | 176 | -68.3 | -176.8 | 109.3 | 107.9 | 6.6 | 113 | I1746 Y1838 A1839 L1840 I1841 H1842 L1843 Q1959 Q1960 G1961 Y1965 D1966 L1967 | I1746-R1963 VanDerWaalsContact CD1-CD 3.49Å; Y1838-R1963 HydrophobicContact CE1-CB 4.44Å; Y1838-R1963 VanDerWaalsContact CZ-NH2 3.33Å; Y1838-R1963 VanDerWaalsContact O-CZ 3.27Å; Y1838-R1963 PolarHBondContact O-NE 3.01Å; Y1838-R1963 PolarHBondContact O-NH2 2.86Å; A1839-R1963 VanDerWaalsContact O-CD 3.31Å; A1839-R1963 WeakPolarHBondContact O-CD 3.34Å; A1839-R1963 PolarHBondContact O-NH1 2.88Å; A1839-R1963 VanDerWaalsContact O-NH1 3.14Å; L1840-R1963 PolarHBondContact O-NH1 3.29Å; I1841-R1963 PolarHBondContact O-NE 3.03Å; I1841-R1963 PolarHBondContact O-NH1 2.94Å; I1841-R1963 VanDerWaalsContact O-NH1 3.11Å; I1841-R1963 PolarHBondContact O-NH2 3.31Å; H1842-R1963 VanDerWaalsContact CG-NH2 3.25Å; H1842-R1963 PolarHBondContact ND1-NH2 3.06Å; L1843-R1963 VanDerWaalsContact N-NH2 3.13Å; L1843-R1963 PolarHBondContact O-NH2 2.9Å; Q1959-R1963 WeakPolarHBondContact O-CG 3.26Å; Q1959-R1963 PolarHBondContact O-N 2.9Å; Q1959-R1963 VanDerWaalsContact O-N 3.16Å; Q1960-R1963 CarbonylContact O-C 3.52Å; Q1960-R1963 PolarHBondContact O-N 3.17Å; Q1960-R1963 VanDerWaalsContact O-N 3.12Å; G1961-R1963 VanDerWaalsContact C-N 3.29Å; G1961-R1963 PolarHBondContact O-N 3.13Å; R1963-Y1965 VanDerWaalsContact C-N 3.3Å; R1963-D1966 PolarHBondContact O-N 3.19Å; R1963-L1967 VanDerWaalsContact O-CB 3.27Å; R1963-L1967 WeakPolarHBondContact O-CB 3.36Å; R1963-L1967 PolarHBondContact O-N 3.04Å |
| 1964 | W | 84.1 | Confident | 76.8 | Confident | 8.6 Ų | 8.6 | 43.4 Ų | 43.4 | 3% | 0.033 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -60.9 | -46.5 | 170.6 | -79 | 121.1 | 0 | 0 | 0 | 111 | A1835 Q1836 A1839 Y1896 Y1950 F1951 I1954 Q1960 G1961 D1966 L1967 F1968 | A1835-W1964 HydrophobicContact CB-CH2 4.06Å; A1835-W1964 HydrophobicContact CB-CZ3 3.8Å; Q1836-W1964 HydrophobicContact CB-CH2 4.4Å; Q1836-W1964 HydrophobicContact CG-CH2 3.99Å; Q1836-W1964 HydrophobicContact CG-CZ2 4.15Å; A1839-W1964 HydrophobicContact CB-CD2 3.67Å; A1839-W1964 VanDerWaalsContact CB-CE2 3.47Å; A1839-W1964 HydrophobicContact CB-CE3 4.16Å; A1839-W1964 HydrophobicContact CB-CG 4.14Å; A1839-W1964 HydrophobicContact CB-CH2 4.16Å; A1839-W1964 HydrophobicContact CB-CZ2 3.64Å; A1839-W1964 HydrophobicContact CB-CZ3 4.34Å; Y1896-W1964 HydrophobicContact CD2-CB 4.49Å; Y1896-W1964 HydrophobicContact CE2-CB 3.8Å; Y1950-W1964 AromaticContact CD1-CH2 3.91Å; Y1950-W1964 HydrophobicContact CD1-CH2 3.98Å; Y1950-W1964 AromaticContact CD1-CZ3 3.94Å; Y1950-W1964 HydrophobicContact CD1-CZ3 3.97Å; Y1950-W1964 HydrophobicContact CG-CH2 4.35Å; Y1950-W1964 HydrophobicContact CG-CZ3 4.28Å; Y1950-W1964 WeakPolarHBondContact O-CZ2 3.34Å; F1951-W1964 HydrophobicContact CD1-CD2 4.35Å; F1951-W1964 HydrophobicContact CD1-CZ2 4.42Å; F1951-W1964 HydrophobicContact CE1-CB 4.48Å; F1951-W1964 AromaticContact CE1-CD2 3.82Å; F1951-W1964 HydrophobicContact CE1-CD2 3.82Å; F1951-W1964 AromaticContact CE1-CE2 3.98Å; F1951-W1964 HydrophobicContact CE1-CE3 4.2Å; F1951-W1964 AromaticContact CE1-CG 3.95Å; F1951-W1964 HydrophobicContact CE1-CG 3.98Å; F1951-W1964 HydrophobicContact CE1-CZ2 4.49Å; I1954-W1964 HydrophobicContact CD1-CZ2 3.86Å; Q1960-W1964 VanDerWaalsContact O-CD1 3.25Å; Q1960-W1964 PolarHBondContact O-N 3.04Å; G1961-W1964 WeakPolarHBondContact O-CB 3.46Å; G1961-W1964 PolarHBondContact O-N 3.01Å; W1964-D1966 PolarHBondContact O-N 3.14Å; W1964-L1967 HydrophobicContact CE3-CD2 4.08Å; W1964-L1967 HydrophobicContact CZ3-CD2 3.98Å; W1964-L1967 PolarHBondContact O-N 3.04Å; W1964-F1968 HydrophobicContact CB-CD2 4.43Å; W1964-F1968 HydrophobicContact CB-CE2 4.43Å; W1964-F1968 HydrophobicContact CD2-CE2 4.15Å; W1964-F1968 HydrophobicContact CE3-CD2 4.11Å; W1964-F1968 AromaticContact CE3-CE2 3.28Å; W1964-F1968 HydrophobicContact CE3-CE2 3.28Å; W1964-F1968 AromaticContact CE3-CZ 3.68Å; W1964-F1968 HydrophobicContact CE3-CZ 3.68Å; W1964-F1968 AromaticContact CZ3-CE2 3.81Å; W1964-F1968 HydrophobicContact CZ3-CE2 3.81Å; W1964-F1968 AromaticContact CZ3-CZ 3.71Å; W1964-F1968 HydrophobicContact CZ3-CZ 3.71Å; W1964-F1968 WeakPolarHBondContact O-CB 3.25Å; W1964-F1968 WeakPolarHBondContact O-CD2 3.27Å; W1964-F1968 WeakPolarHBondContact O-CG 3.38Å; W1964-F1968 PolarHBondContact O-N 3.15Å |
| 1965 | Y | 81.2 | Confident | 77.8 | Confident | 102.2 Ų | 102.2 | 42.5 Ų | 42.5 | 40% | 0.401 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -60 | -46.4 | 175.4 | -178.9 | -94.5 | 0 | 0 | 0 | 111.8 | L1891 G1961 S1962 R1963 L1967 F1968 S1969 T1975 | L1891-Y1965 HydrophobicContact CD2-CD2 4.37Å; G1961-Y1965 PolarHBondContact O-N 2.98Å; S1962-Y1965 PolarHBondContact O-N 3.02Å; R1963-Y1965 VanDerWaalsContact C-N 3.3Å; Y1965-L1967 PolarHBondContact O-N 2.93Å; Y1965-F1968 PolarHBondContact O-N 2.99Å; Y1965-S1969 VanDerWaalsContact O-CB 3.25Å; Y1965-S1969 WeakPolarHBondContact O-CB 3.34Å; Y1965-S1969 PolarHBondContact O-N 2.97Å; Y1965-S1969 PolarHBondContact O-OG 3.09Å; Y1965-T1975 HydrophobicContact CD2-CG2 4.16Å; Y1965-T1975 HydrophobicContact CE2-CG2 3.78Å |
| 1966 | D | 80.8 | Confident | 78.9 | Confident | 50 Ų | 50 | 38.6 Ų | 38.6 | 27% | 0.267 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -61.5 | -43.1 | 177.5 | -174.1 | 59.6 | 0 | 0 | 0 | 112.5 | Y1838 S1962 R1963 W1964 S1969 K1970 | Y1838-D1966 PolarHBondContact OH-OD2 3.07Å; S1962-D1966 WeakPolarHBondContact O-CB 3.33Å; S1962-D1966 PolarHBondContact O-N 2.99Å; R1963-D1966 PolarHBondContact O-N 3.19Å; W1964-D1966 PolarHBondContact O-N 3.14Å; D1966-S1969 WeakPolarHBondContact CA-OG 3.33Å; D1966-S1969 PolarHBondContact O-OG 3.14Å; D1966-S1969 VanDerWaalsContact O-OG 3.08Å; D1966-K1970 WeakPolarHBondContact O-CB 3.35Å; D1966-K1970 WeakPolarHBondContact O-CD 3.19Å; D1966-K1970 VanDerWaalsContact O-CG 3.3Å; D1966-K1970 WeakPolarHBondContact O-CG 3.32Å; D1966-K1970 PolarHBondContact O-N 3.17Å; D1966-K1970 VanDerWaalsContact O-N 3.14Å; D1966-K1970 WeakPolarHBondContact OD1-CE 3.43Å; D1966-K1970 IonicContact OD1-NZ 3.1Å; D1966-K1970 PolarHBondContact OD1-NZ 3Å; D1966-K1970 IonicContact OD2-NZ 3Å; D1966-K1970 PolarHBondContact OD2-NZ 3.32Å |
| 1967 | L | 85.4 | Confident | 80.2 | Confident | 1.6 Ų | 1.6 | 34.3 Ų | 34.3 | 1% | 0.008 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -60.8 | -53.4 | 176.6 | -179.5 | 81.7 | 0 | 0 | 0 | 111.3 | A1835 Y1838 F1856 S1857 L1860 R1963 W1964 Y1965 A1971 | A1835-L1967 HydrophobicContact CB-CD1 3.88Å; A1835-L1967 HydrophobicContact CB-CD2 3.94Å; Y1838-L1967 HydrophobicContact CD1-CB 4.01Å; Y1838-L1967 HydrophobicContact CD1-CD1 3.85Å; Y1838-L1967 HydrophobicContact CD1-CD2 4.24Å; Y1838-L1967 HydrophobicContact CD1-CG 4.28Å; Y1838-L1967 HydrophobicContact CD2-CD1 4.46Å; Y1838-L1967 HydrophobicContact CE1-CB 3.9Å; Y1838-L1967 HydrophobicContact CE1-CD1 4.13Å; Y1838-L1967 HydrophobicContact CE1-CG 4.48Å; Y1838-L1967 HydrophobicContact CG-CD1 4.18Å; F1856-L1967 HydrophobicContact CD1-CD1 3.98Å; F1856-L1967 HydrophobicContact CE1-CD1 3.77Å; S1857-L1967 WeakPolarHBondContact OG-CD1 3.34Å; L1860-L1967 HydrophobicContact CD2-CD1 4.12Å; L1860-L1967 HydrophobicContact CD2-CD2 4.25Å; L1860-L1967 HydrophobicContact CD2-CG 4.44Å; R1963-L1967 VanDerWaalsContact O-CB 3.27Å; R1963-L1967 WeakPolarHBondContact O-CB 3.36Å; R1963-L1967 PolarHBondContact O-N 3.04Å; W1964-L1967 HydrophobicContact CE3-CD2 4.08Å; W1964-L1967 HydrophobicContact CZ3-CD2 3.98Å; W1964-L1967 PolarHBondContact O-N 3.04Å; Y1965-L1967 PolarHBondContact O-N 2.93Å; L1967-A1971 VanDerWaalsContact O-CB 3.29Å; L1967-A1971 WeakPolarHBondContact O-CB 3.34Å; L1967-A1971 PolarHBondContact O-N 2.99Å; L1967-A1971 VanDerWaalsContact O-N 3.12Å |
| 1968 | F | 87.8 | Confident | 81 | Confident | 3 Ų | 3 | 32.8 Ų | 32.8 | 1% | 0.013 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -72.8 | -39.6 | -173.3 | -72 | -52.8 | 0 | 0 | 0 | 112.4 | I1862 L1891 V1946 Y1950 F1951 W1964 Y1965 K1970 A1971 G1972 V1973 | I1862-F1968 HydrophobicContact CG2-CD1 4.29Å; I1862-F1968 HydrophobicContact CG2-CE1 4.35Å; L1891-F1968 HydrophobicContact CD1-CD2 3.53Å; L1891-F1968 VanDerWaalsContact CD1-CD2 3.47Å; L1891-F1968 HydrophobicContact CD1-CE2 3.88Å; L1891-F1968 HydrophobicContact CD1-CG 4.21Å; L1891-F1968 HydrophobicContact CD1-CZ 4.49Å; L1891-F1968 HydrophobicContact CD2-CB 4.33Å; L1891-F1968 HydrophobicContact CD2-CD2 4.13Å; L1891-F1968 HydrophobicContact CD2-CG 4.49Å; L1891-F1968 HydrophobicContact CG-CD2 4.43Å; V1946-F1968 HydrophobicContact CG1-CD1 4.38Å; V1946-F1968 HydrophobicContact CG1-CD2 4.47Å; V1946-F1968 HydrophobicContact CG1-CE1 3.71Å; V1946-F1968 HydrophobicContact CG1-CE2 3.93Å; V1946-F1968 HydrophobicContact CG1-CZ 3.46Å; V1946-F1968 VanDerWaalsContact CG1-CZ 3.46Å; V1946-F1968 HydrophobicContact CG2-CD1 4.21Å; V1946-F1968 HydrophobicContact CG2-CE1 4.3Å; V1946-F1968 HydrophobicContact CG2-CG 4.43Å; Y1950-F1968 HydrophobicContact CD1-CZ 4.31Å; Y1950-F1968 HydrophobicContact CD2-CE1 4.33Å; Y1950-F1968 AromaticContact CD2-CZ 3.86Å; Y1950-F1968 HydrophobicContact CD2-CZ 3.9Å; Y1950-F1968 HydrophobicContact CE1-CZ 4.49Å; Y1950-F1968 HydrophobicContact CE2-CE1 4.14Å; Y1950-F1968 HydrophobicContact CE2-CZ 4.16Å; Y1950-F1968 AromaticContact CG-CZ 3.95Å; Y1950-F1968 HydrophobicContact CG-CZ 4.02Å; F1951-F1968 AromaticContact CE1-CE2 3.91Å; F1951-F1968 HydrophobicContact CE1-CE2 4.11Å; F1951-F1968 AromaticContact CZ-CE2 3.79Å; F1951-F1968 HydrophobicContact CZ-CE2 3.79Å; F1951-F1968 HydrophobicContact CZ-CZ 4.36Å; W1964-F1968 HydrophobicContact CB-CD2 4.43Å; W1964-F1968 HydrophobicContact CB-CE2 4.43Å; W1964-F1968 HydrophobicContact CD2-CE2 4.15Å; W1964-F1968 HydrophobicContact CE3-CD2 4.11Å; W1964-F1968 AromaticContact CE3-CE2 3.28Å; W1964-F1968 HydrophobicContact CE3-CE2 3.28Å; W1964-F1968 AromaticContact CE3-CZ 3.68Å; W1964-F1968 HydrophobicContact CE3-CZ 3.68Å; W1964-F1968 AromaticContact CZ3-CE2 3.81Å; W1964-F1968 HydrophobicContact CZ3-CE2 3.81Å; W1964-F1968 AromaticContact CZ3-CZ 3.71Å; W1964-F1968 HydrophobicContact CZ3-CZ 3.71Å; W1964-F1968 WeakPolarHBondContact O-CB 3.25Å; W1964-F1968 WeakPolarHBondContact O-CD2 3.27Å; W1964-F1968 WeakPolarHBondContact O-CG 3.38Å; W1964-F1968 PolarHBondContact O-N 3.15Å; Y1965-F1968 PolarHBondContact O-N 2.99Å; F1968-K1970 PolarHBondContact O-N 3.18Å; F1968-A1971 CarbonylContact O-C 3.56Å; F1968-A1971 WeakPolarHBondContact O-CA 3.27Å; F1968-A1971 PolarHBondContact O-N 3.18Å; F1968-A1971 VanDerWaalsContact O-N 3.11Å; F1968-G1972 PolarHBondContact O-N 3.19Å; F1968-V1973 HydrophobicContact CB-CB 3.88Å; F1968-V1973 HydrophobicContact CB-CG1 4.26Å; F1968-V1973 HydrophobicContact CB-CG2 4.05Å; F1968-V1973 HydrophobicContact CD1-CG2 4.08Å; F1968-V1973 HydrophobicContact CG-CG2 4.43Å; F1968-V1973 VanDerWaalsContact O-CB 3.27Å; F1968-V1973 WeakPolarHBondContact O-CB 3.16Å; F1968-V1973 WeakPolarHBondContact O-CG2 3.27Å; F1968-V1973 PolarHBondContact O-N 2.9Å |
| 1969 | S | 81.5 | Confident | 81.9 | Confident | 40.2 Ų | 40.2 | 29.9 Ų | 29.9 | 28% | 0.281 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -60.3 | -45.2 | 176.1 | 58.9 | 0 | 0 | 0 | 0 | 111.8 | Y1965 D1966 A1971 G1972 | Y1965-S1969 VanDerWaalsContact O-CB 3.25Å; Y1965-S1969 WeakPolarHBondContact O-CB 3.34Å; Y1965-S1969 PolarHBondContact O-N 2.97Å; Y1965-S1969 PolarHBondContact O-OG 3.09Å; D1966-S1969 WeakPolarHBondContact CA-OG 3.33Å; D1966-S1969 PolarHBondContact O-OG 3.14Å; D1966-S1969 VanDerWaalsContact O-OG 3.08Å; S1969-A1971 VanDerWaalsContact C-N 3.28Å; S1969-A1971 PolarHBondContact O-N 3.04Å; S1969-G1972 PolarHBondContact O-N 3.01Å |
| 1970 | K | 81 | Confident | 82.5 | Confident | 78.2 Ų | 78.2 | 26.7 Ų | 26.7 | 34% | 0.34 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -68.5 | -21.6 | 174.7 | -71.3 | 173.8 | 178.2 | 161.2 | 0 | 113.8 | N1854 S1857 L1877 C1878 D1966 F1968 G1972 | N1854-K1970 PolarHBondContact OD1-NZ 2.97Å; S1857-K1970 VanDerWaalsContact CB-CB 3.45Å; L1877-K1970 WeakPolarHBondContact CD2-O 3.37Å; C1878-K1970 PolarHBondContact SG-O 3.03Å; C1878-K1970 VanDerWaalsContact SG-O 3.38Å; D1966-K1970 WeakPolarHBondContact O-CB 3.35Å; D1966-K1970 WeakPolarHBondContact O-CD 3.19Å; D1966-K1970 VanDerWaalsContact O-CG 3.3Å; D1966-K1970 WeakPolarHBondContact O-CG 3.32Å; D1966-K1970 PolarHBondContact O-N 3.17Å; D1966-K1970 VanDerWaalsContact O-N 3.14Å; D1966-K1970 WeakPolarHBondContact OD1-CE 3.43Å; D1966-K1970 IonicContact OD1-NZ 3.1Å; D1966-K1970 PolarHBondContact OD1-NZ 3Å; D1966-K1970 IonicContact OD2-NZ 3Å; D1966-K1970 PolarHBondContact OD2-NZ 3.32Å; F1968-K1970 PolarHBondContact O-N 3.18Å; K1970-G1972 VanDerWaalsContact C-N 3.32Å; K1970-G1972 PolarHBondContact O-N 3.16Å |
| 1971 | A | 82.8 | Confident | 82.9 | Confident | 2.2 Ų | 2.2 | 30.9 Ų | 30.9 | 2% | 0.018 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.2 | 5.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | S1857 I1862 A1876 L1877 R1885 L1967 F1968 S1969 | S1857-A1971 WeakPolarHBondContact O-CA 3.46Å; S1857-A1971 VanDerWaalsContact O-CB 3.24Å; S1857-A1971 WeakPolarHBondContact O-CB 3.33Å; I1862-A1971 HydrophobicContact CD1-CB 3.48Å; I1862-A1971 VanDerWaalsContact CD1-CB 3.46Å; I1862-A1971 WeakPolarHBondContact CD1-O 3.38Å; I1862-A1971 HydrophobicContact CG1-CB 4.15Å; A1876-A1971 HydrophobicContact CB-CB 4.19Å; L1877-A1971 PolarHBondContact N-O 3.34Å; R1885-A1971 PolarHBondContact NE-O 3.21Å; R1885-A1971 VanDerWaalsContact NE-O 3.14Å; R1885-A1971 PolarHBondContact NH1-O 3.06Å; R1885-A1971 PolarHBondContact NH2-O 3.02Å; L1967-A1971 VanDerWaalsContact O-CB 3.29Å; L1967-A1971 WeakPolarHBondContact O-CB 3.34Å; L1967-A1971 PolarHBondContact O-N 2.99Å; L1967-A1971 VanDerWaalsContact O-N 3.12Å; F1968-A1971 CarbonylContact O-C 3.56Å; F1968-A1971 WeakPolarHBondContact O-CA 3.27Å; F1968-A1971 PolarHBondContact O-N 3.18Å; F1968-A1971 VanDerWaalsContact O-N 3.11Å; S1969-A1971 VanDerWaalsContact C-N 3.28Å; S1969-A1971 PolarHBondContact O-N 3.04Å |
| 1972 | G | 80.2 | Confident | 83.4 | Confident | 20 Ų | 20 | 30.8 Ų | 30.8 | 21% | 0.206 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 82 | 23.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | R1885 F1968 S1969 K1970 | R1885-G1972 PolarHBondContact NH1-O 2.94Å; F1968-G1972 PolarHBondContact O-N 3.19Å; S1969-G1972 PolarHBondContact O-N 3.01Å; K1970-G1972 VanDerWaalsContact C-N 3.32Å; K1970-G1972 PolarHBondContact O-N 3.16Å |
| 1973 | V | 86.6 | Confident | 83.8 | Confident | 4.4 Ų | 4.4 | 30.5 Ų | 30.5 | 3% | 0.027 | 15% | 0.151 | C | C | . | . | trans | -90.2 | 137.3 | 173.2 | -177.3 | 0 | 0 | 0 | 0 | 109.2 | I1862 I1889 L1891 V1946 F1968 H1980 | I1862-V1973 HydrophobicContact CD1-CG2 3.41Å; I1862-V1973 VanDerWaalsContact CD1-CG2 3.42Å; I1862-V1973 HydrophobicContact CG2-CG2 4.45Å; I1889-V1973 HydrophobicContact CB-CG1 4.23Å; I1889-V1973 HydrophobicContact CB-CG2 4.25Å; I1889-V1973 HydrophobicContact CD1-CG2 4.37Å; I1889-V1973 HydrophobicContact CG2-CG1 4.01Å; I1889-V1973 HydrophobicContact CG2-CG2 4.15Å; I1889-V1973 VanDerWaalsContact O-CG1 3.25Å; I1889-V1973 WeakPolarHBondContact O-CG1 3.35Å; L1891-V1973 HydrophobicContact CB-CG1 3.79Å; V1946-V1973 HydrophobicContact CG2-CB 4.5Å; V1946-V1973 HydrophobicContact CG2-CG1 3.57Å; V1946-V1973 HydrophobicContact CG2-CG2 4.22Å; F1968-V1973 HydrophobicContact CB-CB 3.88Å; F1968-V1973 HydrophobicContact CB-CG1 4.26Å; F1968-V1973 HydrophobicContact CB-CG2 4.05Å; F1968-V1973 HydrophobicContact CD1-CG2 4.08Å; F1968-V1973 HydrophobicContact CG-CG2 4.43Å; F1968-V1973 VanDerWaalsContact O-CB 3.27Å; F1968-V1973 WeakPolarHBondContact O-CB 3.16Å; F1968-V1973 WeakPolarHBondContact O-CG2 3.27Å; F1968-V1973 PolarHBondContact O-N 2.9Å; V1973-H1980 PolarHBondContact O-CE1 3.17Å | ||
| 1974 | C | 85.7 | Confident | 84.1 | Confident | 6.4 Ų | 6.4 | 29.6 Ų | 29.6 | 4% | 0.043 | 15% | 0.148 | C | C | . | . | B | Isolated β-bridge | trans | -96 | 151.5 | 175.4 | 19.3 | 0 | 0 | 0 | 0 | 111 | I1889 I1890 L1891 S1978 H1980 | I1889-C1974 PolarHBondContact O-N 2.98Å; I1889-C1974 PolarHBondContact O-SG 3.13Å; I1890-C1974 CarbonylContact C-O 3.41Å; I1890-C1974 VanDerWaalsContact CA-O 3.29Å; I1890-C1974 WeakPolarHBondContact CA-O 3.4Å; L1891-C1974 PolarHBondContact N-O 3.17Å; C1974-S1978 VanDerWaalsContact CA-OG 3.29Å; C1974-S1978 WeakPolarHBondContact CA-OG 3.43Å; C1974-S1978 WeakPolarHBondContact CB-OG 3.3Å; C1974-H1980 VanDerWaalsContact CA-NE2 3.31Å; C1974-H1980 WeakPolarHBondContact CA-NE2 3.4Å; C1974-H1980 VanDerWaalsContact CB-NE2 3.35Å; C1974-H1980 WeakPolarHBondContact CB-NE2 3.32Å; C1974-H1980 PolarHBondContact SG-NE2 3.2Å |
| 1975 | T | 85.9 | Confident | 84.1 | Confident | 15.4 Ų | 15.4 | 31.6 Ų | 31.6 | 9% | 0.094 | 16% | 0.157 | C | C | . | . | trans | -87.6 | 175.6 | 156.5 | 64.4 | 0 | 0 | 0 | 0 | 109.2 | L1891 T1897 Y1965 L1977 S1978 | L1891-T1975 HydrophobicContact CB-CG2 4.41Å; L1891-T1975 HydrophobicContact CD2-CG2 4.36Å; T1897-T1975 HydrophobicContact CG2-CG2 4.24Å; Y1965-T1975 HydrophobicContact CD2-CG2 4.16Å; Y1965-T1975 HydrophobicContact CE2-CG2 3.78Å; T1975-L1977 PolarHBondContact O-N 2.98Å; T1975-L1977 VanDerWaalsContact O-N 3.16Å; T1975-L1977 PolarHBondContact OG1-N 3.11Å; T1975-S1978 PolarHBondContact N-OG 3.02Å; T1975-S1978 PolarHBondContact O-N 2.88Å; T1975-S1978 PolarHBondContact O-OG 3.25Å; T1975-S1978 VanDerWaalsContact OG1-CB 3.28Å; T1975-S1978 WeakPolarHBondContact OG1-CB 3.27Å; T1975-S1978 PolarHBondContact OG1-N 3.3Å; T1975-S1978 PolarHBondContact OG1-OG 3.06Å | ||
| 1976 | L | 84 | Confident | 84 | Confident | 0.8 Ų | 0.8 | 28.7 Ų | 28.7 | 0% | 0.004 | 15% | 0.146 | C | C | . | . | S | Bend | trans | -57.9 | -33.5 | 177.7 | -170.2 | 62.6 | 0 | 0 | 0 | 112.6 | I1890 E1926 L1929 F1930 L1933 G2059 I2060 L2063 | I1890-L1976 HydrophobicContact CD1-CD1 4.36Å; E1926-L1976 HydrophobicContact CG-CB 4.31Å; E1926-L1976 HydrophobicContact CG-CD2 4Å; L1929-L1976 HydrophobicContact CB-CD2 3.75Å; F1930-L1976 HydrophobicContact CB-CD2 4.28Å; L1933-L1976 HydrophobicContact CD1-CD1 4.01Å; L1933-L1976 HydrophobicContact CD2-CD1 3.81Å; L1976-G2059 CarbonylContact O-C 3.58Å; L1976-G2059 VanDerWaalsContact O-C 3.26Å; L1976-G2059 VanDerWaalsContact O-CA 3.24Å; L1976-G2059 WeakPolarHBondContact O-CA 3.41Å; L1976-I2060 PolarHBondContact O-N 3.25Å; L1976-L2063 HydrophobicContact CD1-CD1 3.67Å; L1976-L2063 VanDerWaalsContact CD1-CD1 3.5Å; L1976-L2063 HydrophobicContact CD1-CD2 4.19Å; L1976-L2063 HydrophobicContact CD1-CG 3.77Å; L1976-L2063 HydrophobicContact CD2-CD1 3.96Å; L1976-L2063 HydrophobicContact CG-CD1 3.8Å; L1976-L2063 HydrophobicContact CG-CG 4.4Å |
| 1977 | L | 85.3 | Confident | 83.7 | Confident | 10.6 Ų | 10.6 | 29.6 Ų | 29.6 | 6% | 0.055 | 15% | 0.148 | C | C | . | . | S | Bend | trans | -112.1 | -1.3 | -173 | -63.7 | -178.2 | 0 | 0 | 0 | 113.9 | T1975 I2060 L2063 L2083 L2086 Y2094 | T1975-L1977 PolarHBondContact O-N 2.98Å; T1975-L1977 VanDerWaalsContact O-N 3.16Å; T1975-L1977 PolarHBondContact OG1-N 3.11Å; L1977-I2060 HydrophobicContact CD2-CD1 4.45Å; L1977-I2060 HydrophobicContact CD2-CG1 4.1Å; L1977-L2063 HydrophobicContact CD2-CD1 4.21Å; L1977-L2083 HydrophobicContact CD2-CD1 3.82Å; L1977-L2086 HydrophobicContact CD1-CB 3.91Å; L1977-L2086 HydrophobicContact CD1-CD1 4.1Å; L1977-L2086 HydrophobicContact CD1-CG 4.38Å; L1977-L2086 HydrophobicContact CD2-CB 4.42Å; L1977-L2086 HydrophobicContact CD2-CD1 4.39Å; L1977-Y2094 WeakPolarHBondContact CB-OH 3.38Å; L1977-Y2094 WeakPolarHBondContact O-CE1 3.43Å; L1977-Y2094 PolarHBondContact O-OH 3.06Å |
| 1978 | S | 84.4 | Confident | 82.6 | Confident | 14.2 Ų | 14.2 | 31.7 Ų | 31.7 | 10% | 0.099 | 16% | 0.161 | C | C | . | . | trans | -70.6 | 143.2 | -176.8 | 60.1 | 0 | 0 | 0 | 0 | 112.6 | C1974 T1975 H1980 S2057 | C1974-S1978 VanDerWaalsContact CA-OG 3.29Å; C1974-S1978 WeakPolarHBondContact CA-OG 3.43Å; C1974-S1978 WeakPolarHBondContact CB-OG 3.3Å; T1975-S1978 PolarHBondContact N-OG 3.02Å; T1975-S1978 PolarHBondContact O-N 2.88Å; T1975-S1978 PolarHBondContact O-OG 3.25Å; T1975-S1978 VanDerWaalsContact OG1-CB 3.28Å; T1975-S1978 WeakPolarHBondContact OG1-CB 3.27Å; T1975-S1978 PolarHBondContact OG1-N 3.3Å; T1975-S1978 PolarHBondContact OG1-OG 3.06Å; S1978-H1980 WeakPolarHBondContact CB-NE2 3.43Å; S1978-H1980 PolarHBondContact OG-NE2 3.16Å; S1978-S2057 VanDerWaalsContact O-CB 3.3Å; S1978-S2057 WeakPolarHBondContact O-CB 3.3Å; S1978-S2057 PolarHBondContact O-OG 2.99Å | ||
| 1979 | V | 85.6 | Confident | 81 | Confident | 33.6 Ų | 33.6 | 34.6 Ų | 34.6 | 20% | 0.204 | 18% | 0.181 | C | C | . | . | trans | -111.1 | 129.8 | 174.5 | -178.9 | 0 | 0 | 0 | 0 | 108.7 | Y2055 I2056 Y2094 V2097 W2147 | V1979-Y2055 HydrophobicContact CG1-CD1 4.1Å; V1979-Y2055 HydrophobicContact CG1-CG 4.26Å; V1979-I2056 CarbonylContact C-O 3.45Å; V1979-I2056 WeakPolarHBondContact CA-O 3.43Å; V1979-Y2094 HydrophobicContact CG2-CD1 3.75Å; V1979-Y2094 HydrophobicContact CG2-CE1 3.69Å; V1979-Y2094 VanDerWaalsContact CG2-CE1 3.44Å; V1979-V2097 HydrophobicContact CB-CG2 4.16Å; V1979-V2097 HydrophobicContact CG1-CB 4.02Å; V1979-V2097 HydrophobicContact CG1-CG1 4.34Å; V1979-V2097 HydrophobicContact CG1-CG2 3.89Å; V1979-V2097 HydrophobicContact CG2-CG2 4.26Å; V1979-W2147 HydrophobicContact CG1-CG 4.26Å; V1979-W2147 HydrophobicContact CG2-CD2 4.07Å; V1979-W2147 HydrophobicContact CG2-CE3 4.45Å; V1979-W2147 HydrophobicContact CG2-CG 4.33Å; V1979-W2147 HydrophobicContact CG2-CZ2 4.45Å | ||
| 1980 | H | 83.7 | Confident | 79.2 | Confident | 47.6 Ų | 47.6 | 35.5 Ų | 35.5 | 22% | 0.22 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 133.3 | -175.8 | -61.8 | -90.1 | 0 | 0 | 0 | 110.2 | V1973 C1974 S1978 Y2055 I2056 | V1973-H1980 PolarHBondContact O-CE1 3.17Å; C1974-H1980 VanDerWaalsContact CA-NE2 3.31Å; C1974-H1980 WeakPolarHBondContact CA-NE2 3.4Å; C1974-H1980 VanDerWaalsContact CB-NE2 3.35Å; C1974-H1980 WeakPolarHBondContact CB-NE2 3.32Å; C1974-H1980 PolarHBondContact SG-NE2 3.2Å; S1978-H1980 WeakPolarHBondContact CB-NE2 3.43Å; S1978-H1980 PolarHBondContact OG-NE2 3.16Å; H1980-Y2055 VanDerWaalsContact O-CA 3.31Å; H1980-Y2055 WeakPolarHBondContact O-CA 3.31Å; H1980-I2056 HydrophobicContact CB-CG1 4.31Å; H1980-I2056 PolarHBondContact N-O 2.84Å; H1980-I2056 PolarHBondContact O-N 3.29Å |
| 1981 | K | 84.8 | Confident | 77 | Confident | 92.6 Ų | 92.6 | 37.7 Ų | 37.7 | 40% | 0.403 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 130.2 | 174.7 | -172.7 | 173.7 | -177.6 | 170.4 | 0 | 109.7 | Q1884 E2053 D2054 Y2055 | Q1884-K1981 PolarHBondContact NE2-O 3.39Å; K1981-E2053 WeakPolarHBondContact CE-OE1 3.39Å; K1981-E2053 VanDerWaalsContact CE-OE2 3.23Å; K1981-E2053 WeakPolarHBondContact CE-OE2 3.33Å; K1981-E2053 IonicContact NZ-OE1 3.41Å; K1981-E2053 PolarHBondContact NZ-OE1 3.24Å; K1981-E2053 IonicContact NZ-OE2 3.41Å; K1981-E2053 PolarHBondContact NZ-OE2 3.19Å; K1981-D2054 WeakPolarHBondContact CA-O 3.4Å; K1981-Y2055 HydrophobicContact CB-CD1 3.99Å; K1981-Y2055 HydrophobicContact CB-CE1 3.69Å; K1981-Y2055 HydrophobicContact CD-CE1 4.16Å; K1981-Y2055 HydrophobicContact CG-CD1 4.35Å; K1981-Y2055 HydrophobicContact CG-CE1 3.81Å |
| 1982 | I | 84.2 | Confident | 74.8 | Confident | 8.4 Ų | 8.4 | 43.2 Ų | 43.2 | 4% | 0.043 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 137.6 | 172.8 | -76 | -177.1 | 0 | 0 | 0 | 109.1 | Q1884 Y1984 I2013 E2053 D2054 I2056 | Q1884-I1982 HydrophobicContact CB-CD1 4.06Å; Q1884-I1982 HydrophobicContact CG-CD1 4.39Å; Q1884-I1982 HydrophobicContact CG-CG1 4.4Å; Q1884-I1982 VanDerWaalsContact OE1-CD1 3.28Å; Q1884-I1982 VanDerWaalsContact OE1-CG1 3.28Å; I1982-Y1984 HydrophobicContact CB-CE2 4.27Å; I1982-Y1984 HydrophobicContact CD1-CE1 4.16Å; I1982-Y1984 WeakPolarHBondContact CD1-OH 3.2Å; I1982-Y1984 HydrophobicContact CG1-CE1 4.19Å; I1982-Y1984 HydrophobicContact CG1-CE2 4.29Å; I1982-Y1984 HydrophobicContact CG2-CD1 4.11Å; I1982-Y1984 HydrophobicContact CG2-CD2 4.2Å; I1982-Y1984 HydrophobicContact CG2-CE1 3.64Å; I1982-Y1984 HydrophobicContact CG2-CE2 3.68Å; I1982-Y1984 HydrophobicContact CG2-CG 4.34Å; I1982-Y1984 VanDerWaalsContact CG2-CZ 3.45Å; I1982-I2013 HydrophobicContact CD1-CD1 4.07Å; I1982-I2013 HydrophobicContact CG1-CD1 4.46Å; I1982-E2053 WeakPolarHBondContact O-CA 3.24Å; I1982-D2054 HydrophobicContact CG2-CB 3.83Å; I1982-D2054 PolarHBondContact N-O 3.23Å; I1982-D2054 PolarHBondContact O-N 3.03Å; I1982-I2056 HydrophobicContact CD1-CB 4.26Å; I1982-I2056 HydrophobicContact CD1-CD1 3.61Å; I1982-I2056 HydrophobicContact CD1-CG1 3.47Å; I1982-I2056 VanDerWaalsContact CD1-CG1 3.41Å; I1982-I2056 HydrophobicContact CD1-CG2 3.8Å; I1982-I2056 HydrophobicContact CG1-CD1 4.34Å; I1982-I2056 HydrophobicContact CG1-CG1 4.02Å; I1982-I2056 HydrophobicContact CG1-CG2 4.39Å; I1982-I2056 HydrophobicContact CG2-CG2 4.25Å |
| 1983 | K | 86 | Confident | 72.6 | Confident | 64.4 Ų | 64.4 | 48 Ų | 48 | 28% | 0.28 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 119 | 174.1 | -70.1 | 179.1 | 177.8 | 178.3 | 0 | 109.6 | S2012 I2013 L2051 I2052 E2053 | K1983-S2012 VanDerWaalsContact O-CA 3.23Å; K1983-S2012 WeakPolarHBondContact O-CA 3.38Å; K1983-S2012 WeakPolarHBondContact O-CB 3.35Å; K1983-I2013 PolarHBondContact O-N 3Å; K1983-L2051 HydrophobicContact CB-CD1 4.08Å; K1983-L2051 HydrophobicContact CD-CD1 4.48Å; K1983-L2051 HydrophobicContact CD-CD2 4.42Å; K1983-I2052 CarbonylContact C-O 3.43Å; K1983-I2052 WeakPolarHBondContact CA-O 3.45Å; K1983-E2053 WeakPolarHBondContact CE-OE1 3.4Å; K1983-E2053 HydrophobicContact CG-CG 4.45Å |
| 1984 | Y | 85.9 | Confident | 70.1 | Confident | 17 Ų | 17 | 53.1 Ų | 53.1 | 7% | 0.067 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 141.8 | 170.7 | -57.4 | -73.8 | 0 | 0 | 0 | 110.4 | I1982 I2013 L2015 P2016 H2019 L2051 I2052 D2054 | I1982-Y1984 HydrophobicContact CB-CE2 4.27Å; I1982-Y1984 HydrophobicContact CD1-CE1 4.16Å; I1982-Y1984 WeakPolarHBondContact CD1-OH 3.2Å; I1982-Y1984 HydrophobicContact CG1-CE1 4.19Å; I1982-Y1984 HydrophobicContact CG1-CE2 4.29Å; I1982-Y1984 HydrophobicContact CG2-CD1 4.11Å; I1982-Y1984 HydrophobicContact CG2-CD2 4.2Å; I1982-Y1984 HydrophobicContact CG2-CE1 3.64Å; I1982-Y1984 HydrophobicContact CG2-CE2 3.68Å; I1982-Y1984 HydrophobicContact CG2-CG 4.34Å; I1982-Y1984 VanDerWaalsContact CG2-CZ 3.45Å; Y1984-I2013 CarbonylContact C-O 3.5Å; Y1984-I2013 WeakPolarHBondContact CA-O 3.41Å; Y1984-I2013 HydrophobicContact CD1-CB 4.4Å; Y1984-I2013 HydrophobicContact CD1-CD1 3.96Å; Y1984-I2013 HydrophobicContact CD1-CG1 3.83Å; Y1984-I2013 HydrophobicContact CE1-CD1 3.6Å; Y1984-I2013 HydrophobicContact CE1-CG1 3.99Å; Y1984-L2015 HydrophobicContact CD1-CD1 4.14Å; Y1984-L2015 HydrophobicContact CD2-CD1 3.8Å; Y1984-L2015 HydrophobicContact CE2-CD1 4.4Å; Y1984-L2015 HydrophobicContact CG-CD1 3.62Å; Y1984-P2016 HydrophobicContact CE1-CG 4.39Å; Y1984-H2019 AromaticContact CE2-CE1 3.74Å; Y1984-H2019 AromaticContact CE2-NE2 3.75Å; Y1984-H2019 WeakPolarHBondContact CE2-NE2 3.49Å; Y1984-H2019 AromaticContact CZ-CD2 3.99Å; Y1984-H2019 AromaticContact CZ-NE2 3.72Å; Y1984-H2019 PolarHBondContact OH-NE2 3.47Å; Y1984-H2019 VanDerWaalsContact OH-NE2 3.08Å; Y1984-L2051 CarbonylContact O-C 3.31Å; Y1984-L2051 WeakPolarHBondContact O-CA 3.25Å; Y1984-I2052 PolarHBondContact N-O 3.16Å; Y1984-I2052 PolarHBondContact O-N 3.21Å; Y1984-D2054 HydrophobicContact CD2-CB 4.12Å; Y1984-D2054 HydrophobicContact CE2-CB 3.8Å |
| 1985 | F | 84.1 | Confident | 67.7 | Low | 49.8 Ų | 49.8 | 57.6 Ų | 57.6 | 22% | 0.218 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 139 | 163.7 | 69 | -99.2 | 0 | 0 | 0 | 110.5 | I1996 L2009 I2013 P2014 L2015 I2049 Y2050 | F1985-I1996 HydrophobicContact CE2-CD1 3.8Å; F1985-I1996 HydrophobicContact CZ-CD1 3.93Å; F1985-L2009 HydrophobicContact CB-CD1 4.38Å; F1985-L2009 HydrophobicContact CB-CD2 4Å; F1985-L2009 HydrophobicContact CD1-CD1 4.27Å; F1985-L2009 HydrophobicContact CD1-CD2 4.02Å; F1985-L2009 HydrophobicContact CD2-CD1 4.44Å; F1985-L2009 HydrophobicContact CE1-CD2 4.31Å; F1985-L2009 HydrophobicContact CG-CD1 4.13Å; F1985-L2009 HydrophobicContact CG-CD2 4.3Å; F1985-I2013 WeakPolarHBondContact CD1-O 3.29Å; F1985-I2013 VanDerWaalsContact CE1-C 3.47Å; F1985-I2013 PolarHBondContact N-O 2.96Å; F1985-P2014 HydrophobicContact CD1-CB 4.47Å; F1985-P2014 HydrophobicContact CD2-CB 4.41Å; F1985-P2014 VanDerWaalsContact CE1-CA 3.47Å; F1985-P2014 HydrophobicContact CE1-CB 3.96Å; F1985-P2014 VanDerWaalsContact CE1-CD 3.47Å; F1985-P2014 HydrophobicContact CE1-CG 4.25Å; F1985-P2014 VanDerWaalsContact CE1-N 3.3Å; F1985-P2014 HydrophobicContact CE2-CB 3.78Å; F1985-P2014 VanDerWaalsContact CZ-CA 3.43Å; F1985-P2014 HydrophobicContact CZ-CB 3.46Å; F1985-P2014 HydrophobicContact CZ-CG 3.99Å; F1985-L2015 PolarHBondContact O-N 3Å; F1985-I2049 HydrophobicContact CB-CG2 4.21Å; F1985-Y2050 CarbonylContact C-O 3.5Å; F1985-Y2050 WeakPolarHBondContact CA-O 3.37Å |
| 1986 | Y | 78.9 | Confident | 65.4 | Low | 42 Ų | 42 | 62.4 Ų | 62.4 | 17% | 0.165 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 123.5 | 177.6 | -179.7 | -104.8 | 0 | 0 | 0 | 109.3 | V1988 L2015 Q2022 I2025 I2026 L2029 Y2050 I2052 | Y1986-V1988 HydrophobicContact CD1-CG2 4.23Å; Y1986-V1988 HydrophobicContact CE1-CG2 3.83Å; Y1986-L2015 HydrophobicContact CD2-CB 4.38Å; Y1986-L2015 HydrophobicContact CD2-CD2 3.84Å; Y1986-L2015 HydrophobicContact CE2-CD2 4.24Å; Y1986-L2015 HydrophobicContact CG-CD2 4.35Å; Y1986-Q2022 HydrophobicContact CE2-CG 4.47Å; Y1986-I2025 HydrophobicContact CD1-CG1 3.92Å; Y1986-I2025 HydrophobicContact CD1-CG2 3.99Å; Y1986-I2025 HydrophobicContact CD2-CG2 4.25Å; Y1986-I2025 HydrophobicContact CE1-CG1 4.21Å; Y1986-I2025 HydrophobicContact CE1-CG2 3.89Å; Y1986-I2025 HydrophobicContact CE2-CG2 4.15Å; Y1986-I2025 HydrophobicContact CG-CG1 4.48Å; Y1986-I2025 HydrophobicContact CG-CG2 4.21Å; Y1986-I2026 WeakPolarHBondContact OH-CG1 3.38Å; Y1986-L2029 HydrophobicContact CD1-CD1 4.36Å; Y1986-L2029 HydrophobicContact CE1-CD1 3.89Å; Y1986-Y2050 HydrophobicContact CD1-CD2 4.26Å; Y1986-Y2050 PolarHBondContact N-O 3.05Å; Y1986-Y2050 WeakPolarHBondContact O-CB 3.42Å; Y1986-Y2050 PolarHBondContact O-N 3.19Å; Y1986-I2052 VanDerWaalsContact CB-CD1 3.4Å; Y1986-I2052 HydrophobicContact CG-CD1 4.42Å |
| 1987 | Q | 73.6 | Confident | 63.1 | Low | 68.6 Ų | 68.6 | 71.1 Ų | 71.1 | 32% | 0.321 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 130 | 177.9 | -171.2 | 176.6 | 4.8 | 0 | 0 | 109.2 | S1989 N2046 N2047 I2049 | Q1987-S1989 VanDerWaalsContact C-N 3.3Å; Q1987-S1989 WeakPolarHBondContact CG-OG 3.4Å; Q1987-S1989 PolarHBondContact O-N 3.04Å; Q1987-S1989 VanDerWaalsContact O-N 3.1Å; Q1987-S1989 PolarHBondContact O-OG 2.78Å; Q1987-N2046 PolarHBondContact NE2-O 3.18Å; Q1987-N2047 PolarHBondContact NE2-OD1 3.18Å; Q1987-I2049 HydrophobicContact CG-CG1 4.43Å |
| 1988 | V | 63.4 | Low | 60.7 | Low | 47.2 Ų | 47.2 | 76.9 Ų | 76.9 | 29% | 0.286 | 44% | 0.437 | S | S | . | . | trans | -80.6 | 67.9 | -179.1 | -177.9 | 0 | 0 | 0 | 0 | 109.1 | Y1986 G1990 L2029 I2039 Y2050 | Y1986-V1988 HydrophobicContact CD1-CG2 4.23Å; Y1986-V1988 HydrophobicContact CE1-CG2 3.83Å; V1988-G1990 PolarHBondContact O-N 3.43Å; V1988-L2029 HydrophobicContact CG2-CD1 4.2Å; V1988-I2039 HydrophobicContact CG1-CB 3.87Å; V1988-I2039 HydrophobicContact CG1-CG1 4.07Å; V1988-I2039 HydrophobicContact CG1-CG2 3.46Å; V1988-I2039 VanDerWaalsContact CG1-CG2 3.46Å; V1988-Y2050 HydrophobicContact CG2-CD2 4.13Å; V1988-Y2050 HydrophobicContact CG2-CE2 3.72Å | ||
| 1989 | S | 53.4 | Low | 58.5 | Low | 62.2 Ų | 62.2 | 79.5 Ų | 79.5 | 44% | 0.435 | 46% | 0.455 | S | S | . | . | trans | -116.2 | 125 | 178.1 | -62.4 | 0 | 0 | 0 | 0 | 111 | Q1987 T1991 N2046 | Q1987-S1989 VanDerWaalsContact C-N 3.3Å; Q1987-S1989 WeakPolarHBondContact CG-OG 3.4Å; Q1987-S1989 PolarHBondContact O-N 3.04Å; Q1987-S1989 VanDerWaalsContact O-N 3.1Å; Q1987-S1989 PolarHBondContact O-OG 2.78Å; S1989-T1991 PolarHBondContact O-N 2.9Å; S1989-N2046 PolarHBondContact OG-OD1 3.34Å | ||
| 1990 | G | 43.7 | Very low | 56.5 | Low | 60.6 Ų | 60.6 | 87.6 Ų | 87.6 | 63% | 0.625 | 49% | 0.487 | S | S | * | . | trans | -67.8 | 92.8 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114 | V1988 T1992 | V1988-G1990 PolarHBondContact O-N 3.43Å; G1990-T1992 PolarHBondContact O-N 3.25Å; G1990-T1992 VanDerWaalsContact O-N 3.13Å | ||
| 1991 | T | 35.9 | Very low | 54.3 | Low | 123.4 Ų | 123.4 | 92.4 Ų | 92.4 | 76% | 0.757 | 51% | 0.51 | S | S | * | . | S | Bend | trans | -20.8 | 108.7 | 170.8 | 52.4 | 0 | 0 | 0 | 0 | 113.7 | S1989 V1993 | S1989-T1991 PolarHBondContact O-N 2.9Å; T1991-V1993 PolarHBondContact O-N 3.12Å; T1991-V1993 VanDerWaalsContact O-N 3.15Å |
| 1992 | T | 36 | Very low | 52.3 | Low | 117.8 Ų | 117.8 | 90 Ų | 90 | 72% | 0.723 | 50% | 0.501 | S | S | * | . | trans | -137.9 | 114.2 | 160.7 | 46.2 | 0 | 0 | 0 | 0 | 111.6 | G1990 T1994 | G1990-T1992 PolarHBondContact O-N 3.25Å; G1990-T1992 VanDerWaalsContact O-N 3.13Å; T1992-T1994 VanDerWaalsContact C-N 3.28Å; T1992-T1994 PolarHBondContact O-N 3.24Å; T1992-T1994 PolarHBondContact O-OG1 3.01Å; T1992-T1994 PolarHBondContact OG1-OG1 3.38Å | ||
| 1993 | V | 34.6 | Very low | 50.5 | Low | 120.6 Ų | 120.6 | 94.4 Ų | 94.4 | 73% | 0.731 | 53% | 0.528 | S | S | * | . | trans | -70.5 | 81.4 | 171.9 | -176.8 | 0 | 0 | 0 | 0 | 108.5 | T1991 S1995 I1996 | T1991-V1993 PolarHBondContact O-N 3.12Å; T1991-V1993 VanDerWaalsContact O-N 3.15Å; V1993-S1995 PolarHBondContact O-N 2.83Å; V1993-I1996 HydrophobicContact CG1-CD1 3.91Å; V1993-I1996 HydrophobicContact CG1-CG1 3.61Å | ||
| 1994 | T | 34 | Very low | 48.7 | Very low | 111 Ų | 111 | 94.3 Ų | 94.3 | 68% | 0.681 | 53% | 0.533 | S | S | * | . | trans | -100.2 | 115 | 168.4 | 27.9 | 0 | 0 | 0 | 0 | 108.1 | T1992 I1996 | T1992-T1994 VanDerWaalsContact C-N 3.28Å; T1992-T1994 PolarHBondContact O-N 3.24Å; T1992-T1994 PolarHBondContact O-OG1 3.01Å; T1992-T1994 PolarHBondContact OG1-OG1 3.38Å; T1994-I1996 PolarHBondContact O-N 3.22Å; T1994-I1996 VanDerWaalsContact O-N 3.16Å | ||
| 1995 | S | 35.4 | Very low | 46.9 | Very low | 100.8 Ų | 100.8 | 95.3 Ų | 95.3 | 71% | 0.705 | 54% | 0.539 | S | S | * | . | trans | 12.5 | 96.4 | 171.2 | 138.3 | 0 | 0 | 0 | 0 | 114 | V1993 K1997 | V1993-S1995 PolarHBondContact O-N 2.83Å; S1995-K1997 PolarHBondContact O-N 3.14Å | ||
| 1996 | I | 37.7 | Very low | 45.4 | Very low | 116.6 Ų | 116.6 | 95.7 Ų | 95.7 | 60% | 0.598 | 55% | 0.548 | S | S | * | . | trans | -58.9 | 108.6 | 164.2 | -61.5 | 169.7 | 0 | 0 | 0 | 107 | F1985 V1993 T1994 T1998 L2005 L2009 | F1985-I1996 HydrophobicContact CE2-CD1 3.8Å; F1985-I1996 HydrophobicContact CZ-CD1 3.93Å; V1993-I1996 HydrophobicContact CG1-CD1 3.91Å; V1993-I1996 HydrophobicContact CG1-CG1 3.61Å; T1994-I1996 PolarHBondContact O-N 3.22Å; T1994-I1996 VanDerWaalsContact O-N 3.16Å; I1996-T1998 PolarHBondContact O-N 3.18Å; I1996-T1998 VanDerWaalsContact O-N 3.16Å; I1996-L2005 HydrophobicContact CD1-CD2 4.47Å; I1996-L2009 HydrophobicContact CD1-CD1 4.04Å | ||
| 1997 | K | 34.9 | Very low | 44.3 | Very low | 185 Ų | 185 | 98 Ų | 98 | 80% | 0.804 | 57% | 0.567 | S | S | * | * | trans | -80.2 | 118.3 | 173.9 | -79.2 | -176.9 | 177.3 | 177.4 | 0 | 108.3 | S1995 S1999 | S1995-K1997 PolarHBondContact O-N 3.14Å; K1997-S1999 PolarHBondContact O-N 3.11Å; K1997-S1999 VanDerWaalsContact O-N 3.11Å | ||
| 1998 | T | 34.7 | Very low | 43.6 | Very low | 132.4 Ų | 132.4 | 97.7 Ų | 97.7 | 81% | 0.812 | 57% | 0.566 | S | S | * | * | trans | -48.9 | 110.3 | -177.5 | 49.1 | 0 | 0 | 0 | 0 | 112.6 | I1996 D2002 | I1996-T1998 PolarHBondContact O-N 3.18Å; I1996-T1998 VanDerWaalsContact O-N 3.16Å; T1998-D2002 VanDerWaalsContact CA-OD2 3.23Å; T1998-D2002 WeakPolarHBondContact CA-OD2 3.38Å | ||
| 1999 | S | 37.2 | Very low | 43.5 | Very low | 68.2 Ų | 68.2 | 97.3 Ų | 97.3 | 48% | 0.477 | 56% | 0.563 | S | S | . | * | trans | -112.4 | 158.7 | 166.7 | 78.4 | 0 | 0 | 0 | 0 | 109.3 | K1997 H2001 D2002 | K1997-S1999 PolarHBondContact O-N 3.11Å; K1997-S1999 VanDerWaalsContact O-N 3.11Å; S1999-H2001 PolarHBondContact O-N 3.29Å; S1999-D2002 PolarHBondContact N-OD2 3.11Å; S1999-D2002 VanDerWaalsContact N-OD2 3.13Å; S1999-D2002 VanDerWaalsContact O-CB 3.27Å; S1999-D2002 WeakPolarHBondContact O-CB 3.41Å; S1999-D2002 VanDerWaalsContact O-CG 3.27Å; S1999-D2002 PolarHBondContact O-N 3.35Å; S1999-D2002 VanDerWaalsContact O-N 3.1Å | ||
| 2000 | K | 43.6 | Very low | 44 | Very low | 202.8 Ų | 202.8 | 101.6 Ų | 101.6 | 88% | 0.882 | 57% | 0.574 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.7 | -14.8 | -174.5 | -79.9 | -178.4 | 175 | 179 | 0 | 114.8 | D2002 | K2000-D2002 VanDerWaalsContact C-N 3.29Å; K2000-D2002 PolarHBondContact O-N 2.91Å |
| 2001 | H | 38.7 | Very low | 45.1 | Very low | 150 Ų | 150 | 102.4 Ų | 102.4 | 69% | 0.694 | 56% | 0.564 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.7 | -11.5 | 174.9 | -73.2 | -74.7 | 0 | 0 | 0 | 113.8 | S1999 V2003 | S1999-H2001 PolarHBondContact O-N 3.29Å; H2001-V2003 VanDerWaalsContact C-N 3.3Å; H2001-V2003 PolarHBondContact O-N 3.17Å; H2001-V2003 VanDerWaalsContact O-N 3.13Å |
| 2002 | D | 43.1 | Very low | 46.8 | Very low | 40.4 Ų | 40.4 | 97.1 Ų | 97.1 | 22% | 0.216 | 53% | 0.532 | C | S | . | . | H | α-helix | trans | -77.2 | -6.2 | -175.6 | -73.3 | -41.8 | 0 | 0 | 0 | 114.9 | T1998 S1999 K2000 V2004 L2005 S2006 | T1998-D2002 VanDerWaalsContact CA-OD2 3.23Å; T1998-D2002 WeakPolarHBondContact CA-OD2 3.38Å; S1999-D2002 PolarHBondContact N-OD2 3.11Å; S1999-D2002 VanDerWaalsContact N-OD2 3.13Å; S1999-D2002 VanDerWaalsContact O-CB 3.27Å; S1999-D2002 WeakPolarHBondContact O-CB 3.41Å; S1999-D2002 VanDerWaalsContact O-CG 3.27Å; S1999-D2002 PolarHBondContact O-N 3.35Å; S1999-D2002 VanDerWaalsContact O-N 3.1Å; K2000-D2002 VanDerWaalsContact C-N 3.29Å; K2000-D2002 PolarHBondContact O-N 2.91Å; D2002-V2004 VanDerWaalsContact C-N 3.27Å; D2002-V2004 PolarHBondContact O-N 3.3Å; D2002-L2005 PolarHBondContact O-N 2.98Å; D2002-S2006 VanDerWaalsContact O-CB 3.26Å; D2002-S2006 WeakPolarHBondContact O-CB 3.36Å; D2002-S2006 PolarHBondContact O-N 3.28Å; D2002-S2006 PolarHBondContact O-OG 3.22Å |
| 2003 | V | 45.7 | Very low | 48.8 | Very low | 100.8 Ų | 100.8 | 93.5 Ų | 93.5 | 61% | 0.611 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -60.3 | -37.9 | -175.5 | -177.5 | 0 | 0 | 0 | 0 | 111.6 | H2001 S2006 T2007 | H2001-V2003 VanDerWaalsContact C-N 3.3Å; H2001-V2003 PolarHBondContact O-N 3.17Å; H2001-V2003 VanDerWaalsContact O-N 3.13Å; V2003-S2006 WeakPolarHBondContact CA-OG 3.35Å; V2003-S2006 PolarHBondContact O-N 2.81Å; V2003-S2006 PolarHBondContact O-OG 3.26Å; V2003-T2007 WeakPolarHBondContact O-CB 3.36Å; V2003-T2007 PolarHBondContact O-N 3.21Å; V2003-T2007 VanDerWaalsContact O-N 3.14Å; V2003-T2007 PolarHBondContact O-OG1 3.3Å |
| 2004 | V | 47.7 | Very low | 50.8 | Low | 63.6 Ų | 63.6 | 91.1 Ų | 91.1 | 39% | 0.385 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -77.2 | -40.6 | -179.8 | -171.5 | 0 | 0 | 0 | 0 | 111.8 | D2002 S2006 T2007 I2008 P2130 I2133 | D2002-V2004 VanDerWaalsContact C-N 3.27Å; D2002-V2004 PolarHBondContact O-N 3.3Å; V2004-S2006 VanDerWaalsContact C-N 3.27Å; V2004-S2006 PolarHBondContact O-N 3.28Å; V2004-T2007 WeakPolarHBondContact O-CB 3.4Å; V2004-T2007 PolarHBondContact O-N 3.28Å; V2004-T2007 VanDerWaalsContact O-N 3.12Å; V2004-T2007 PolarHBondContact O-OG1 3.11Å; V2004-I2008 HydrophobicContact CG1-CD1 4.45Å; V2004-I2008 PolarHBondContact O-N 3.26Å; V2004-P2130 HydrophobicContact CG2-CB 4.14Å; V2004-I2133 HydrophobicContact CB-CD1 4.22Å; V2004-I2133 HydrophobicContact CG1-CD1 3.8Å; V2004-I2133 HydrophobicContact CG1-CG1 4.31Å |
| 2005 | L | 48.5 | Very low | 53 | Low | 37 Ų | 37 | 86.8 Ų | 86.8 | 19% | 0.194 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -63 | -38.5 | 173.7 | -105.5 | 147.8 | 0 | 0 | 0 | 111.3 | I1996 D2002 T2007 I2008 L2009 I2049 I2107 I2133 | I1996-L2005 HydrophobicContact CD1-CD2 4.47Å; D2002-L2005 PolarHBondContact O-N 2.98Å; L2005-T2007 VanDerWaalsContact C-N 3.28Å; L2005-T2007 PolarHBondContact O-N 3.09Å; L2005-I2008 PolarHBondContact O-N 3.19Å; L2005-L2009 HydrophobicContact CB-CD1 4.19Å; L2005-L2009 HydrophobicContact CD2-CD1 3.65Å; L2005-L2009 VanDerWaalsContact CD2-CD1 3.46Å; L2005-L2009 HydrophobicContact CD2-CG 4.24Å; L2005-L2009 HydrophobicContact CG-CD1 4.37Å; L2005-L2009 VanDerWaalsContact O-CB 3.25Å; L2005-L2009 WeakPolarHBondContact O-CB 3.38Å; L2005-L2009 WeakPolarHBondContact O-CD1 3.17Å; L2005-L2009 VanDerWaalsContact O-CG 3.3Å; L2005-L2009 WeakPolarHBondContact O-CG 3.37Å; L2005-L2009 PolarHBondContact O-N 3.15Å; L2005-I2049 HydrophobicContact CD1-CD1 4.06Å; L2005-I2049 HydrophobicContact CD2-CD1 3.79Å; L2005-I2049 HydrophobicContact CG-CD1 4.06Å; L2005-I2107 HydrophobicContact CD1-CD1 4.07Å; L2005-I2107 HydrophobicContact CD2-CD1 4.14Å; L2005-I2107 HydrophobicContact CG-CD1 4.18Å; L2005-I2133 HydrophobicContact CG-CD1 4.23Å |
| 2006 | S | 52.6 | Low | 55 | Low | 58.4 Ų | 58.4 | 84.9 Ų | 84.9 | 41% | 0.408 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -63.8 | -26.1 | 177.8 | 76.1 | 0 | 0 | 0 | 0 | 113.8 | D2002 V2003 V2004 K2010 | D2002-S2006 VanDerWaalsContact O-CB 3.26Å; D2002-S2006 WeakPolarHBondContact O-CB 3.36Å; D2002-S2006 PolarHBondContact O-N 3.28Å; D2002-S2006 PolarHBondContact O-OG 3.22Å; V2003-S2006 WeakPolarHBondContact CA-OG 3.35Å; V2003-S2006 PolarHBondContact O-N 2.81Å; V2003-S2006 PolarHBondContact O-OG 3.26Å; V2004-S2006 VanDerWaalsContact C-N 3.27Å; V2004-S2006 PolarHBondContact O-N 3.28Å; S2006-K2010 WeakPolarHBondContact O-CA 3.18Å; S2006-K2010 VanDerWaalsContact O-CB 3.25Å; S2006-K2010 WeakPolarHBondContact O-CB 3.41Å; S2006-K2010 WeakPolarHBondContact O-CG 3.39Å; S2006-K2010 PolarHBondContact O-N 3.02Å; S2006-K2010 VanDerWaalsContact O-N 3.12Å |
| 2007 | T | 55.8 | Low | 56.5 | Low | 90.6 Ų | 90.6 | 86.1 Ų | 86.1 | 56% | 0.556 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -78.5 | -41.3 | 177.7 | 1.4 | 0 | 0 | 0 | 0 | 111.8 | V2003 V2004 L2005 K2010 | V2003-T2007 WeakPolarHBondContact O-CB 3.36Å; V2003-T2007 PolarHBondContact O-N 3.21Å; V2003-T2007 VanDerWaalsContact O-N 3.14Å; V2003-T2007 PolarHBondContact O-OG1 3.3Å; V2004-T2007 WeakPolarHBondContact O-CB 3.4Å; V2004-T2007 PolarHBondContact O-N 3.28Å; V2004-T2007 VanDerWaalsContact O-N 3.12Å; V2004-T2007 PolarHBondContact O-OG1 3.11Å; L2005-T2007 VanDerWaalsContact C-N 3.28Å; L2005-T2007 PolarHBondContact O-N 3.09Å; T2007-K2010 WeakPolarHBondContact O-CB 3.33Å |
| 2008 | I | 59.1 | Low | 58.4 | Low | 61.4 Ų | 61.4 | 84.5 Ų | 84.5 | 32% | 0.315 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -71.4 | -39.4 | 175.9 | -61.5 | 175.3 | 0 | 0 | 0 | 110.8 | V2004 L2005 K2010 I2105 I2133 I2135 | V2004-I2008 HydrophobicContact CG1-CD1 4.45Å; V2004-I2008 PolarHBondContact O-N 3.26Å; L2005-I2008 PolarHBondContact O-N 3.19Å; I2008-K2010 VanDerWaalsContact C-N 3.33Å; I2008-K2010 PolarHBondContact O-N 3.16Å; I2008-I2105 HydrophobicContact CG2-CD1 4.18Å; I2008-I2133 HydrophobicContact CD1-CB 3.96Å; I2008-I2133 HydrophobicContact CD1-CD1 3.89Å; I2008-I2133 VanDerWaalsContact CD1-CD1 3.48Å; I2008-I2133 HydrophobicContact CD1-CG1 4.4Å; I2008-I2133 HydrophobicContact CD1-CG2 3.85Å; I2008-I2135 HydrophobicContact CD1-CD1 4.39Å; I2008-I2135 HydrophobicContact CG2-CD1 4.44Å |
| 2009 | L | 61.1 | Low | 60.6 | Low | 40.6 Ų | 40.6 | 79.6 Ų | 79.6 | 21% | 0.213 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -81.1 | -10.1 | -177.4 | -70.3 | 169.5 | 0 | 0 | 0 | 114 | F1985 I1996 L2005 D2011 S2012 I2049 | F1985-L2009 HydrophobicContact CB-CD1 4.38Å; F1985-L2009 HydrophobicContact CB-CD2 4Å; F1985-L2009 HydrophobicContact CD1-CD1 4.27Å; F1985-L2009 HydrophobicContact CD1-CD2 4.02Å; F1985-L2009 HydrophobicContact CD2-CD1 4.44Å; F1985-L2009 HydrophobicContact CE1-CD2 4.31Å; F1985-L2009 HydrophobicContact CG-CD1 4.13Å; F1985-L2009 HydrophobicContact CG-CD2 4.3Å; I1996-L2009 HydrophobicContact CD1-CD1 4.04Å; L2005-L2009 HydrophobicContact CB-CD1 4.19Å; L2005-L2009 HydrophobicContact CD2-CD1 3.65Å; L2005-L2009 VanDerWaalsContact CD2-CD1 3.46Å; L2005-L2009 HydrophobicContact CD2-CG 4.24Å; L2005-L2009 HydrophobicContact CG-CD1 4.37Å; L2005-L2009 VanDerWaalsContact O-CB 3.25Å; L2005-L2009 WeakPolarHBondContact O-CB 3.38Å; L2005-L2009 WeakPolarHBondContact O-CD1 3.17Å; L2005-L2009 VanDerWaalsContact O-CG 3.3Å; L2005-L2009 WeakPolarHBondContact O-CG 3.37Å; L2005-L2009 PolarHBondContact O-N 3.15Å; L2009-D2011 PolarHBondContact O-N 3.05Å; L2009-D2011 VanDerWaalsContact O-N 3.13Å; L2009-S2012 VanDerWaalsContact CA-OG 3.25Å; L2009-S2012 WeakPolarHBondContact CA-OG 3.35Å; L2009-S2012 WeakPolarHBondContact CB-OG 3.22Å; L2009-S2012 VanDerWaalsContact CD2-OG 3.31Å; L2009-S2012 WeakPolarHBondContact CD2-OG 3.31Å; L2009-S2012 PolarHBondContact O-N 3.11Å; L2009-S2012 VanDerWaalsContact O-O 3.1Å; L2009-S2012 PolarHBondContact O-OG 3.13Å; L2009-I2049 HydrophobicContact CD1-CD1 4.34Å; L2009-I2049 HydrophobicContact CD2-CG2 4.34Å |
| 2010 | K | 64.2 | Low | 62.5 | Low | 152.4 Ų | 152.4 | 81.9 Ų | 81.9 | 66% | 0.663 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.1 | -35.7 | -176.9 | -135 | 177.1 | 179.9 | -172.4 | 0 | 113.2 | G1882 S2006 T2007 I2008 S2012 | G1882-K2010 VanDerWaalsContact CA-O 3.24Å; G1882-K2010 WeakPolarHBondContact CA-O 3.31Å; G1882-K2010 PolarHBondContact N-O 3.43Å; S2006-K2010 WeakPolarHBondContact O-CA 3.18Å; S2006-K2010 VanDerWaalsContact O-CB 3.25Å; S2006-K2010 WeakPolarHBondContact O-CB 3.41Å; S2006-K2010 WeakPolarHBondContact O-CG 3.39Å; S2006-K2010 PolarHBondContact O-N 3.02Å; S2006-K2010 VanDerWaalsContact O-N 3.12Å; T2007-K2010 WeakPolarHBondContact O-CB 3.33Å; I2008-K2010 VanDerWaalsContact C-N 3.33Å; I2008-K2010 PolarHBondContact O-N 3.16Å; K2010-S2012 VanDerWaalsContact C-N 3.33Å |
| 2011 | D | 65.6 | Low | 64.4 | Low | 77.2 Ų | 77.2 | 72.2 Ų | 72.2 | 41% | 0.413 | 38% | 0.383 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.5 | 13.4 | -177 | -57.7 | -13.3 | 0 | 0 | 0 | 112.5 | L1883 L2009 | L1883-D2011 HydrophobicContact CD1-CB 3.88Å; L1883-D2011 WeakPolarHBondContact CD1-OD1 3.26Å; L2009-D2011 PolarHBondContact O-N 3.05Å; L2009-D2011 VanDerWaalsContact O-N 3.13Å |
| 2012 | S | 73.1 | Confident | 66.4 | Low | 11.8 Ų | 11.8 | 67.7 Ų | 67.7 | 8% | 0.083 | 36% | 0.362 | C | S | . | . | trans | -127.9 | 148.4 | -176 | 67.8 | 0 | 0 | 0 | 0 | 113 | K1983 L2009 K2010 | K1983-S2012 VanDerWaalsContact O-CA 3.23Å; K1983-S2012 WeakPolarHBondContact O-CA 3.38Å; K1983-S2012 WeakPolarHBondContact O-CB 3.35Å; L2009-S2012 VanDerWaalsContact CA-OG 3.25Å; L2009-S2012 WeakPolarHBondContact CA-OG 3.35Å; L2009-S2012 WeakPolarHBondContact CB-OG 3.22Å; L2009-S2012 VanDerWaalsContact CD2-OG 3.31Å; L2009-S2012 WeakPolarHBondContact CD2-OG 3.31Å; L2009-S2012 PolarHBondContact O-N 3.11Å; L2009-S2012 VanDerWaalsContact O-O 3.1Å; L2009-S2012 PolarHBondContact O-OG 3.13Å; K2010-S2012 VanDerWaalsContact C-N 3.33Å | ||
| 2013 | I | 77.5 | Confident | 68.2 | Low | 41.4 Ų | 41.4 | 73.6 Ų | 73.6 | 21% | 0.212 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 147.2 | -175.6 | -42.3 | 174.3 | 0 | 0 | 0 | 109.3 | Q1884 I1982 K1983 Y1984 F1985 L2015 | Q1884-I2013 HydrophobicContact CB-CD1 4.32Å; Q1884-I2013 VanDerWaalsContact OE1-CD1 3.32Å; I1982-I2013 HydrophobicContact CD1-CD1 4.07Å; I1982-I2013 HydrophobicContact CG1-CD1 4.46Å; K1983-I2013 PolarHBondContact O-N 3Å; Y1984-I2013 CarbonylContact C-O 3.5Å; Y1984-I2013 WeakPolarHBondContact CA-O 3.41Å; Y1984-I2013 HydrophobicContact CD1-CB 4.4Å; Y1984-I2013 HydrophobicContact CD1-CD1 3.96Å; Y1984-I2013 HydrophobicContact CD1-CG1 3.83Å; Y1984-I2013 HydrophobicContact CE1-CD1 3.6Å; Y1984-I2013 HydrophobicContact CE1-CG1 3.99Å; F1985-I2013 WeakPolarHBondContact CD1-O 3.29Å; F1985-I2013 VanDerWaalsContact CE1-C 3.47Å; F1985-I2013 PolarHBondContact N-O 2.96Å; I2013-L2015 PolarHBondContact O-N 3.01Å |
| 2014 | P | 77.3 | Confident | 69.9 | Low | 71.2 Ų | 71.2 | 69.6 Ų | 69.6 | 46% | 0.462 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.5 | 133.7 | 171.7 | 21.6 | -31.1 | 0 | 0 | 0 | 110.1 | F1985 P2016 | F1985-P2014 HydrophobicContact CD1-CB 4.47Å; F1985-P2014 HydrophobicContact CD2-CB 4.41Å; F1985-P2014 VanDerWaalsContact CE1-CA 3.47Å; F1985-P2014 HydrophobicContact CE1-CB 3.96Å; F1985-P2014 VanDerWaalsContact CE1-CD 3.47Å; F1985-P2014 HydrophobicContact CE1-CG 4.25Å; F1985-P2014 VanDerWaalsContact CE1-N 3.3Å; F1985-P2014 HydrophobicContact CE2-CB 3.78Å; F1985-P2014 VanDerWaalsContact CZ-CA 3.43Å; F1985-P2014 HydrophobicContact CZ-CB 3.46Å; F1985-P2014 HydrophobicContact CZ-CG 3.99Å; P2014-P2016 VanDerWaalsContact O-CD 3.26Å; P2014-P2016 WeakPolarHBondContact O-CD 3.36Å; P2014-P2016 VanDerWaalsContact O-N 3.17Å |
| 2015 | L | 79.5 | Confident | 71.4 | Confident | 20 Ų | 20 | 66.7 Ų | 66.7 | 11% | 0.105 | 34% | 0.344 | C | S | . | . | P | Polyproline II helix | trans | -57.6 | 122.2 | 174.5 | -172.3 | 72.7 | 0 | 0 | 0 | 109.6 | Y1984 F1985 Y1986 I2013 H2019 L2021 Q2022 I2025 I2052 | Y1984-L2015 HydrophobicContact CD1-CD1 4.14Å; Y1984-L2015 HydrophobicContact CD2-CD1 3.8Å; Y1984-L2015 HydrophobicContact CE2-CD1 4.4Å; Y1984-L2015 HydrophobicContact CG-CD1 3.62Å; F1985-L2015 PolarHBondContact O-N 3Å; Y1986-L2015 HydrophobicContact CD2-CB 4.38Å; Y1986-L2015 HydrophobicContact CD2-CD2 3.84Å; Y1986-L2015 HydrophobicContact CE2-CD2 4.24Å; Y1986-L2015 HydrophobicContact CG-CD2 4.35Å; I2013-L2015 PolarHBondContact O-N 3.01Å; L2015-H2019 HydrophobicContact CD1-CB 3.89Å; L2015-H2019 HydrophobicContact CD2-CB 4.38Å; L2015-H2019 HydrophobicContact CG-CB 4.01Å; L2015-L2021 HydrophobicContact CD1-CB 4.47Å; L2015-Q2022 HydrophobicContact CD2-CB 4.07Å; L2015-I2025 HydrophobicContact CD1-CD1 4.29Å; L2015-I2025 HydrophobicContact CD2-CD1 3.5Å; L2015-I2025 VanDerWaalsContact CD2-CD1 3.45Å; L2015-I2025 HydrophobicContact CD2-CG2 4.45Å; L2015-I2052 HydrophobicContact CD1-CD1 4.33Å; L2015-I2052 HydrophobicContact CD2-CD1 3.97Å |
| 2016 | P | 78 | Confident | 72.7 | Confident | 60.8 Ų | 60.8 | 68.1 Ų | 68.1 | 40% | 0.395 | 35% | 0.351 | S | S | . | . | P | Polyproline II helix | trans | -60.7 | 145.3 | -178.9 | -24.3 | 33.4 | 0 | 0 | 0 | 112.9 | Y1984 P2014 N2018 H2019 Q2022 | Y1984-P2016 HydrophobicContact CE1-CG 4.39Å; P2014-P2016 VanDerWaalsContact O-CD 3.26Å; P2014-P2016 WeakPolarHBondContact O-CD 3.36Å; P2014-P2016 VanDerWaalsContact O-N 3.17Å; P2016-N2018 VanDerWaalsContact C-N 3.28Å; P2016-N2018 PolarHBondContact O-N 3.14Å; P2016-N2018 VanDerWaalsContact O-N 3.1Å; P2016-H2019 HydrophobicContact CB-CB 4.22Å; P2016-H2019 HydrophobicContact CG-CB 4.38Å; P2016-H2019 WeakPolarHBondContact O-CB 3.33Å; P2016-H2019 PolarHBondContact O-N 3.04Å; P2016-Q2022 PolarHBondContact O-OE1 3.07Å; P2016-Q2022 VanDerWaalsContact O-OE1 3.12Å |
| 2017 | I | 69.4 | Low | 74 | Confident | 141.4 Ų | 141.4 | 69.9 Ų | 69.9 | 73% | 0.725 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | 13.3 | 179.4 | -59.3 | 167.5 | 0 | 0 | 0 | 110.9 | H2019 Q2022 | I2017-H2019 VanDerWaalsContact C-N 3.3Å; I2017-Q2022 PolarHBondContact O-OE1 3.31Å |
| 2018 | N | 73.3 | Confident | 75 | Confident | 151.6 Ų | 151.6 | 66.3 Ų | 66.3 | 81% | 0.811 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.3 | 19.4 | -178.3 | -56.3 | -29.5 | 0 | 0 | 0 | 113.3 | P2016 Q2022 | P2016-N2018 VanDerWaalsContact C-N 3.28Å; P2016-N2018 PolarHBondContact O-N 3.14Å; P2016-N2018 VanDerWaalsContact O-N 3.1Å; N2018-Q2022 VanDerWaalsContact CA-OE1 3.28Å |
| 2019 | H | 80.9 | Confident | 75.7 | Confident | 29.2 Ų | 29.2 | 63.8 Ų | 63.8 | 14% | 0.135 | 32% | 0.32 | C | S | . | . | trans | -66.9 | 140.3 | 175 | -162.9 | -90.7 | 0 | 0 | 0 | 110.7 | Y1984 L2015 P2016 I2017 L2021 Q2022 D2054 S2146 | Y1984-H2019 AromaticContact CE2-CE1 3.74Å; Y1984-H2019 AromaticContact CE2-NE2 3.75Å; Y1984-H2019 WeakPolarHBondContact CE2-NE2 3.49Å; Y1984-H2019 AromaticContact CZ-CD2 3.99Å; Y1984-H2019 AromaticContact CZ-NE2 3.72Å; Y1984-H2019 PolarHBondContact OH-NE2 3.47Å; Y1984-H2019 VanDerWaalsContact OH-NE2 3.08Å; L2015-H2019 HydrophobicContact CD1-CB 3.89Å; L2015-H2019 HydrophobicContact CD2-CB 4.38Å; L2015-H2019 HydrophobicContact CG-CB 4.01Å; P2016-H2019 HydrophobicContact CB-CB 4.22Å; P2016-H2019 HydrophobicContact CG-CB 4.38Å; P2016-H2019 WeakPolarHBondContact O-CB 3.33Å; P2016-H2019 PolarHBondContact O-N 3.04Å; I2017-H2019 VanDerWaalsContact C-N 3.3Å; H2019-L2021 VanDerWaalsContact C-N 3.33Å; H2019-L2021 WeakPolarHBondContact ND1-CB 3.35Å; H2019-L2021 PolarHBondContact ND1-N 3.08Å; H2019-L2021 PolarHBondContact O-N 3.21Å; H2019-L2021 VanDerWaalsContact O-N 3.12Å; H2019-Q2022 WeakPolarHBondContact O-CB 3.25Å; H2019-Q2022 PolarHBondContact O-N 2.96Å; H2019-D2054 IonicContact CE1-OD2 3.16Å; H2019-D2054 PolarHBondContact CE1-OD2 2.9Å; H2019-D2054 IonicContact NE2-OD2 3.13Å; H2019-S2146 PolarHBondContact CE1-OG 3.16Å; H2019-S2146 VanDerWaalsContact CE1-OG 3.31Å | ||
| 2020 | R | 78.2 | Confident | 76.3 | Confident | 117 Ų | 117 | 65.3 Ų | 65.3 | 44% | 0.442 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | -41.2 | -175.6 | -61.8 | -179.4 | 178.5 | -125.5 | 2.8 | 112.8 | Q2022 K2023 D2054 D2061 Y2144 S2146 E2153 | R2020-Q2022 PolarHBondContact O-N 2.95Å; R2020-Q2022 VanDerWaalsContact O-N 3.12Å; R2020-K2023 PolarHBondContact O-N 3.24Å; R2020-D2054 IonicContact CZ-OD1 2.78Å; R2020-D2054 IonicContact CZ-OD2 3.29Å; R2020-D2054 IonicContact NH1-OD1 2.72Å; R2020-D2054 IonicContact NH1-OD2 2.68Å; R2020-D2054 PolarHBondContact NH1-OD2 2.86Å; R2020-D2054 IonicContact NH2-OD1 3Å; R2020-D2054 PolarHBondContact NH2-OD1 2.95Å; R2020-D2054 IonicContact NH2-OD2 3.53Å; R2020-D2054 PolarHBondContact NH2-OD2 3.23Å; R2020-D2061 IonicContact NH1-OD2 3.37Å; R2020-D2061 IonicContact NH2-OD2 3.84Å; R2020-D2061 PolarHBondContact NH2-OD2 3.21Å; R2020-Y2144 PolarHBondContact NH2-O 2.85Å; R2020-S2146 VanDerWaalsContact CZ-CA 3.41Å; R2020-S2146 PolarHBondContact NH1-O 2.88Å; R2020-S2146 PolarHBondContact NH1-OG 3.25Å; R2020-E2153 IonicContact CZ-OE1 3.55Å; R2020-E2153 IonicContact CZ-OE2 3.26Å; R2020-E2153 IonicContact NE-OE2 3.69Å; R2020-E2153 IonicContact NH1-OE1 2.9Å; R2020-E2153 PolarHBondContact NH1-OE1 3.04Å; R2020-E2153 IonicContact NH1-OE2 2.67Å; R2020-E2153 PolarHBondContact NH1-OE2 2.98Å; R2020-E2153 IonicContact NH2-OE1 3.76Å; R2020-E2153 IonicContact NH2-OE2 3.16Å; R2020-E2153 PolarHBondContact NH2-OE2 2.94Å |
| 2021 | L | 83 | Confident | 76.6 | Confident | 0.4 Ų | 0.4 | 65.8 Ų | 65.8 | 0% | 0.002 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -63.5 | -11.4 | 177.5 | -62.1 | 178.4 | 0 | 0 | 0 | 113.8 | L2015 H2019 K2023 S2024 I2025 I2052 D2054 A2100 L2142 D2143 Y2144 Y2149 | L2015-L2021 HydrophobicContact CD1-CB 4.47Å; H2019-L2021 VanDerWaalsContact C-N 3.33Å; H2019-L2021 WeakPolarHBondContact ND1-CB 3.35Å; H2019-L2021 PolarHBondContact ND1-N 3.08Å; H2019-L2021 PolarHBondContact O-N 3.21Å; H2019-L2021 VanDerWaalsContact O-N 3.12Å; L2021-K2023 VanDerWaalsContact C-N 3.31Å; L2021-K2023 PolarHBondContact O-N 3.39Å; L2021-S2024 PolarHBondContact O-N 2.95Å; L2021-S2024 VanDerWaalsContact O-N 3.11Å; L2021-I2025 HydrophobicContact CB-CD1 4Å; L2021-I2025 HydrophobicContact CB-CG1 4.34Å; L2021-I2025 WeakPolarHBondContact O-CB 3.35Å; L2021-I2025 WeakPolarHBondContact O-CD1 3.17Å; L2021-I2025 VanDerWaalsContact O-CG1 3.22Å; L2021-I2025 WeakPolarHBondContact O-CG1 3.33Å; L2021-I2025 WeakPolarHBondContact O-CG2 3.41Å; L2021-I2025 PolarHBondContact O-N 2.98Å; L2021-I2052 HydrophobicContact CD1-CG2 4Å; L2021-D2054 HydrophobicContact CD1-CB 3.93Å; L2021-D2054 VanDerWaalsContact CD1-CG 3.45Å; L2021-D2054 WeakPolarHBondContact CD1-OD2 3.2Å; L2021-A2100 HydrophobicContact CD1-CB 3.84Å; L2021-A2100 HydrophobicContact CD2-CB 4.04Å; L2021-L2142 HydrophobicContact CB-CD2 4.12Å; L2021-L2142 HydrophobicContact CD1-CD2 4.24Å; L2021-L2142 HydrophobicContact CD2-CD2 4.05Å; L2021-L2142 HydrophobicContact CD2-CG 4.27Å; L2021-L2142 HydrophobicContact CG-CD2 4.36Å; L2021-D2143 HydrophobicContact CD2-CB 4.1Å; L2021-Y2144 WeakPolarHBondContact CD2-O 3.39Å; L2021-Y2149 HydrophobicContact CD2-CD2 4.04Å; L2021-Y2149 HydrophobicContact CD2-CE2 3.89Å |
| 2022 | Q | 80.4 | Confident | 76.7 | Confident | 54.4 Ų | 54.4 | 66.3 Ų | 66.3 | 25% | 0.254 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -61.1 | -38.6 | 178.8 | -171.9 | 158.5 | -6.6 | 0 | 0 | 112.1 | Y1986 L2015 P2016 I2017 N2018 H2019 R2020 I2025 I2026 | Y1986-Q2022 HydrophobicContact CE2-CG 4.47Å; L2015-Q2022 HydrophobicContact CD2-CB 4.07Å; P2016-Q2022 PolarHBondContact O-OE1 3.07Å; P2016-Q2022 VanDerWaalsContact O-OE1 3.12Å; I2017-Q2022 PolarHBondContact O-OE1 3.31Å; N2018-Q2022 VanDerWaalsContact CA-OE1 3.28Å; H2019-Q2022 WeakPolarHBondContact O-CB 3.25Å; H2019-Q2022 PolarHBondContact O-N 2.96Å; R2020-Q2022 PolarHBondContact O-N 2.95Å; R2020-Q2022 VanDerWaalsContact O-N 3.12Å; Q2022-I2025 VanDerWaalsContact O-CG2 3.31Å; Q2022-I2025 WeakPolarHBondContact O-CG2 3.28Å; Q2022-I2026 HydrophobicContact CG-CD1 4.24Å; Q2022-I2026 VanDerWaalsContact O-CD1 3.26Å; Q2022-I2026 WeakPolarHBondContact O-CD1 3.23Å; Q2022-I2026 VanDerWaalsContact O-CG1 3.26Å; Q2022-I2026 WeakPolarHBondContact O-CG1 3.29Å; Q2022-I2026 PolarHBondContact O-N 3.11Å; Q2022-I2026 VanDerWaalsContact O-N 3.15Å |
| 2023 | K | 80.5 | Confident | 75.9 | Confident | 164.8 Ų | 164.8 | 68.5 Ų | 68.5 | 72% | 0.717 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -68.7 | -46.8 | 175 | -106.4 | -177 | 179.4 | -177.3 | 0 | 111 | R2020 L2021 I2025 I2026 E2027 | R2020-K2023 PolarHBondContact O-N 3.24Å; L2021-K2023 VanDerWaalsContact C-N 3.31Å; L2021-K2023 PolarHBondContact O-N 3.39Å; K2023-I2025 VanDerWaalsContact C-N 3.32Å; K2023-I2025 PolarHBondContact O-N 2.99Å; K2023-I2026 PolarHBondContact O-N 2.92Å; K2023-I2026 VanDerWaalsContact O-N 3.11Å; K2023-E2027 WeakPolarHBondContact CE-OE1 3.47Å; K2023-E2027 WeakPolarHBondContact O-CG 3.48Å; K2023-E2027 PolarHBondContact O-N 3.2Å |
| 2024 | S | 81.4 | Confident | 74.9 | Confident | 15.8 Ų | 15.8 | 69.4 Ų | 69.4 | 11% | 0.11 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -62.3 | -37.5 | -179.8 | -46 | 0 | 0 | 0 | 0 | 112.1 | L2021 E2027 A2028 L2142 D2143 Y2149 | L2021-S2024 PolarHBondContact O-N 2.95Å; L2021-S2024 VanDerWaalsContact O-N 3.11Å; S2024-E2027 PolarHBondContact O-N 3.11Å; S2024-A2028 VanDerWaalsContact O-CB 3.24Å; S2024-A2028 WeakPolarHBondContact O-CB 3.38Å; S2024-A2028 PolarHBondContact O-N 3.18Å; S2024-L2142 WeakPolarHBondContact O-CD1 3.45Å; S2024-D2143 WeakPolarHBondContact CB-OD2 3.41Å; S2024-D2143 PolarHBondContact OG-OD2 3.03Å; S2024-Y2149 PolarHBondContact OG-OH 3.37Å |
| 2025 | I | 79.3 | Confident | 73.4 | Confident | 2.6 Ų | 2.6 | 68.9 Ų | 68.9 | 1% | 0.013 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -67 | -44 | 175.4 | -130.3 | 100.5 | 0 | 0 | 0 | 111.3 | Y1986 L2015 L2021 Q2022 K2023 E2027 A2028 L2029 I2052 F2102 L2142 | Y1986-I2025 HydrophobicContact CD1-CG1 3.92Å; Y1986-I2025 HydrophobicContact CD1-CG2 3.99Å; Y1986-I2025 HydrophobicContact CD2-CG2 4.25Å; Y1986-I2025 HydrophobicContact CE1-CG1 4.21Å; Y1986-I2025 HydrophobicContact CE1-CG2 3.89Å; Y1986-I2025 HydrophobicContact CE2-CG2 4.15Å; Y1986-I2025 HydrophobicContact CG-CG1 4.48Å; Y1986-I2025 HydrophobicContact CG-CG2 4.21Å; L2015-I2025 HydrophobicContact CD1-CD1 4.29Å; L2015-I2025 HydrophobicContact CD2-CD1 3.5Å; L2015-I2025 VanDerWaalsContact CD2-CD1 3.45Å; L2015-I2025 HydrophobicContact CD2-CG2 4.45Å; L2021-I2025 HydrophobicContact CB-CD1 4Å; L2021-I2025 HydrophobicContact CB-CG1 4.34Å; L2021-I2025 WeakPolarHBondContact O-CB 3.35Å; L2021-I2025 WeakPolarHBondContact O-CD1 3.17Å; L2021-I2025 VanDerWaalsContact O-CG1 3.22Å; L2021-I2025 WeakPolarHBondContact O-CG1 3.33Å; L2021-I2025 WeakPolarHBondContact O-CG2 3.41Å; L2021-I2025 PolarHBondContact O-N 2.98Å; Q2022-I2025 VanDerWaalsContact O-CG2 3.31Å; Q2022-I2025 WeakPolarHBondContact O-CG2 3.28Å; K2023-I2025 VanDerWaalsContact C-N 3.32Å; K2023-I2025 PolarHBondContact O-N 2.99Å; I2025-E2027 VanDerWaalsContact C-N 3.32Å; I2025-E2027 PolarHBondContact O-N 3.03Å; I2025-A2028 PolarHBondContact O-N 3Å; I2025-L2029 HydrophobicContact CD1-CD1 4.5Å; I2025-L2029 HydrophobicContact CD1-CG 4.33Å; I2025-L2029 HydrophobicContact CG1-CD1 3.98Å; I2025-L2029 HydrophobicContact CG1-CG 4.25Å; I2025-L2029 HydrophobicContact CG2-CD1 3.78Å; I2025-L2029 HydrophobicContact CG2-CG 4.33Å; I2025-L2029 VanDerWaalsContact O-CB 3.32Å; I2025-L2029 WeakPolarHBondContact O-CB 3.26Å; I2025-L2029 VanDerWaalsContact O-CG 3.22Å; I2025-L2029 WeakPolarHBondContact O-CG 3.32Å; I2025-L2029 PolarHBondContact O-N 3.08Å; I2025-I2052 HydrophobicContact CB-CD1 4.26Å; I2025-I2052 HydrophobicContact CD1-CD1 4.12Å; I2025-I2052 HydrophobicContact CD1-CG1 4.29Å; I2025-I2052 HydrophobicContact CG1-CD1 4.13Å; I2025-I2052 HydrophobicContact CG1-CG1 4.35Å; I2025-I2052 HydrophobicContact CG2-CD1 4.44Å; I2025-F2102 HydrophobicContact CD1-CB 3.92Å; I2025-F2102 HydrophobicContact CD1-CD1 4.14Å; I2025-F2102 HydrophobicContact CD1-CD2 3.59Å; I2025-F2102 HydrophobicContact CD1-CE2 4.07Å; I2025-F2102 HydrophobicContact CD1-CG 3.62Å; I2025-F2102 HydrophobicContact CD1-CZ 4.47Å; I2025-L2142 HydrophobicContact CB-CD1 4.19Å; I2025-L2142 HydrophobicContact CB-CD2 4.47Å; I2025-L2142 HydrophobicContact CD1-CD1 3.72Å; I2025-L2142 HydrophobicContact CD1-CD2 4.4Å; I2025-L2142 HydrophobicContact CG1-CD1 4.22Å; I2025-L2142 HydrophobicContact CG1-CD2 3.83Å; I2025-L2142 HydrophobicContact CG1-CG 4.4Å |
| 2026 | I | 77.1 | Confident | 71.9 | Confident | 66.2 Ų | 66.2 | 74.6 Ų | 74.6 | 34% | 0.339 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -61.1 | -44.6 | 176.3 | -67.6 | 165 | 0 | 0 | 0 | 110.3 | Y1986 Q2022 K2023 L2029 N2030 | Y1986-I2026 WeakPolarHBondContact OH-CG1 3.38Å; Q2022-I2026 HydrophobicContact CG-CD1 4.24Å; Q2022-I2026 VanDerWaalsContact O-CD1 3.26Å; Q2022-I2026 WeakPolarHBondContact O-CD1 3.23Å; Q2022-I2026 VanDerWaalsContact O-CG1 3.26Å; Q2022-I2026 WeakPolarHBondContact O-CG1 3.29Å; Q2022-I2026 PolarHBondContact O-N 3.11Å; Q2022-I2026 VanDerWaalsContact O-N 3.15Å; K2023-I2026 PolarHBondContact O-N 2.92Å; K2023-I2026 VanDerWaalsContact O-N 3.11Å; I2026-L2029 PolarHBondContact O-N 3.2Å; I2026-N2030 WeakPolarHBondContact O-CB 3.36Å; I2026-N2030 VanDerWaalsContact O-CG 3.24Å; I2026-N2030 PolarHBondContact O-N 3.07Å; I2026-N2030 PolarHBondContact O-ND2 2.93Å; I2026-N2030 PolarHBondContact O-OD1 3.11Å |
| 2027 | E | 79.2 | Confident | 70.3 | Confident | 97.2 Ų | 97.2 | 75.7 Ų | 75.7 | 45% | 0.454 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -66 | -41.8 | 177.6 | -132 | -174.3 | 171.3 | 0 | 0 | 112.9 | K2023 S2024 I2025 N2030 K2031 | K2023-E2027 WeakPolarHBondContact CE-OE1 3.47Å; K2023-E2027 WeakPolarHBondContact O-CG 3.48Å; K2023-E2027 PolarHBondContact O-N 3.2Å; S2024-E2027 PolarHBondContact O-N 3.11Å; I2025-E2027 VanDerWaalsContact C-N 3.32Å; I2025-E2027 PolarHBondContact O-N 3.03Å; E2027-N2030 WeakPolarHBondContact O-CB 3.35Å; E2027-N2030 PolarHBondContact O-N 3.1Å; E2027-K2031 WeakPolarHBondContact O-CB 3.48Å; E2027-K2031 WeakPolarHBondContact O-CD 3.22Å; E2027-K2031 WeakPolarHBondContact O-CG 3.44Å; E2027-K2031 PolarHBondContact O-N 3.13Å; E2027-K2031 VanDerWaalsContact OE1-CE 3.27Å; E2027-K2031 WeakPolarHBondContact OE1-CE 3.36Å; E2027-K2031 IonicContact OE1-NZ 3.08Å; E2027-K2031 PolarHBondContact OE1-NZ 3.19Å; E2027-K2031 IonicContact OE2-NZ 2.91Å; E2027-K2031 PolarHBondContact OE2-NZ 2.7Å |
| 2028 | A | 77.3 | Confident | 69.1 | Low | 14.8 Ų | 14.8 | 72.5 Ų | 72.5 | 12% | 0.122 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -64.4 | -41.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | S2024 I2025 K2031 Q2032 F2102 L2142 | S2024-A2028 VanDerWaalsContact O-CB 3.24Å; S2024-A2028 WeakPolarHBondContact O-CB 3.38Å; S2024-A2028 PolarHBondContact O-N 3.18Å; I2025-A2028 PolarHBondContact O-N 3Å; A2028-K2031 PolarHBondContact O-N 3Å; A2028-Q2032 WeakPolarHBondContact O-CB 3.48Å; A2028-Q2032 WeakPolarHBondContact O-CG 3.41Å; A2028-Q2032 PolarHBondContact O-N 3.21Å; A2028-Q2032 VanDerWaalsContact O-N 3.13Å; A2028-F2102 HydrophobicContact CB-CE1 3.95Å; A2028-F2102 HydrophobicContact CB-CZ 4.1Å; A2028-L2142 HydrophobicContact CB-CD1 3.9Å |
| 2029 | L | 73.8 | Confident | 67.7 | Low | 9 Ų | 9 | 70.1 Ų | 70.1 | 5% | 0.047 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -65.9 | -40.8 | 175.3 | -68 | 173.1 | 0 | 0 | 0 | 111.6 | Y1986 V1988 I2025 I2026 K2031 Q2032 G2033 L2034 Y2050 F2102 | Y1986-L2029 HydrophobicContact CD1-CD1 4.36Å; Y1986-L2029 HydrophobicContact CE1-CD1 3.89Å; V1988-L2029 HydrophobicContact CG2-CD1 4.2Å; I2025-L2029 HydrophobicContact CD1-CD1 4.5Å; I2025-L2029 HydrophobicContact CD1-CG 4.33Å; I2025-L2029 HydrophobicContact CG1-CD1 3.98Å; I2025-L2029 HydrophobicContact CG1-CG 4.25Å; I2025-L2029 HydrophobicContact CG2-CD1 3.78Å; I2025-L2029 HydrophobicContact CG2-CG 4.33Å; I2025-L2029 VanDerWaalsContact O-CB 3.32Å; I2025-L2029 WeakPolarHBondContact O-CB 3.26Å; I2025-L2029 VanDerWaalsContact O-CG 3.22Å; I2025-L2029 WeakPolarHBondContact O-CG 3.32Å; I2025-L2029 PolarHBondContact O-N 3.08Å; I2026-L2029 PolarHBondContact O-N 3.2Å; L2029-K2031 VanDerWaalsContact C-N 3.31Å; L2029-K2031 PolarHBondContact O-N 3.19Å; L2029-Q2032 CarbonylContact O-C 3.54Å; L2029-Q2032 PolarHBondContact O-N 3.02Å; L2029-Q2032 VanDerWaalsContact O-N 3.16Å; L2029-G2033 PolarHBondContact O-N 3.05Å; L2029-L2034 HydrophobicContact CB-CD1 4.37Å; L2029-L2034 HydrophobicContact CD2-CD1 3.97Å; L2029-L2034 WeakPolarHBondContact O-CB 3.43Å; L2029-L2034 PolarHBondContact O-N 3.18Å; L2029-L2034 VanDerWaalsContact O-N 3.08Å; L2029-Y2050 HydrophobicContact CD1-CD2 4.41Å; L2029-Y2050 HydrophobicContact CD1-CE2 4.23Å; L2029-Y2050 HydrophobicContact CD2-CD1 4.08Å; L2029-Y2050 HydrophobicContact CD2-CD2 4.42Å; L2029-Y2050 HydrophobicContact CD2-CE1 3.51Å; L2029-Y2050 VanDerWaalsContact CD2-CE1 3.4Å; L2029-Y2050 HydrophobicContact CD2-CE2 4.05Å; L2029-Y2050 HydrophobicContact CD2-CG 4.45Å; L2029-Y2050 VanDerWaalsContact CD2-CZ 3.44Å; L2029-F2102 HydrophobicContact CD2-CE2 4.29Å |
| 2030 | N | 72.2 | Confident | 65.8 | Low | 72.6 Ų | 72.6 | 75.1 Ų | 75.1 | 39% | 0.388 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -60.2 | -43.8 | 173.4 | -72 | -21 | 0 | 0 | 0 | 111.5 | I2026 E2027 Q2032 G2033 L2034 T2035 L2036 | I2026-N2030 WeakPolarHBondContact O-CB 3.36Å; I2026-N2030 VanDerWaalsContact O-CG 3.24Å; I2026-N2030 PolarHBondContact O-N 3.07Å; I2026-N2030 PolarHBondContact O-ND2 2.93Å; I2026-N2030 PolarHBondContact O-OD1 3.11Å; E2027-N2030 WeakPolarHBondContact O-CB 3.35Å; E2027-N2030 PolarHBondContact O-N 3.1Å; N2030-Q2032 VanDerWaalsContact C-N 3.29Å; N2030-Q2032 PolarHBondContact O-N 3.2Å; N2030-G2033 PolarHBondContact O-N 3.08Å; N2030-G2033 VanDerWaalsContact O-N 3.11Å; N2030-L2034 PolarHBondContact OD1-O 3.11Å; N2030-T2035 VanDerWaalsContact OD1-CB 3.28Å; N2030-T2035 WeakPolarHBondContact OD1-CB 3.41Å; N2030-T2035 WeakPolarHBondContact OD1-CG2 3.39Å; N2030-T2035 PolarHBondContact OD1-OG1 3Å; N2030-L2036 WeakPolarHBondContact OD1-CD1 3.49Å |
| 2031 | K | 71.8 | Confident | 63.9 | Low | 163.2 Ų | 163.2 | 73.2 Ų | 73.2 | 71% | 0.71 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -64.1 | -29.6 | 176.5 | -75.2 | 173.4 | -174.4 | 164.2 | 0 | 113 | E2027 A2028 L2029 G2033 | E2027-K2031 WeakPolarHBondContact O-CB 3.48Å; E2027-K2031 WeakPolarHBondContact O-CD 3.22Å; E2027-K2031 WeakPolarHBondContact O-CG 3.44Å; E2027-K2031 PolarHBondContact O-N 3.13Å; E2027-K2031 VanDerWaalsContact OE1-CE 3.27Å; E2027-K2031 WeakPolarHBondContact OE1-CE 3.36Å; E2027-K2031 IonicContact OE1-NZ 3.08Å; E2027-K2031 PolarHBondContact OE1-NZ 3.19Å; E2027-K2031 IonicContact OE2-NZ 2.91Å; E2027-K2031 PolarHBondContact OE2-NZ 2.7Å; A2028-K2031 PolarHBondContact O-N 3Å; L2029-K2031 VanDerWaalsContact C-N 3.31Å; L2029-K2031 PolarHBondContact O-N 3.19Å; K2031-G2033 VanDerWaalsContact C-N 3.28Å; K2031-G2033 PolarHBondContact O-N 2.94Å |
| 2032 | Q | 66.8 | Low | 61.8 | Low | 87.2 Ų | 87.2 | 79 Ų | 79 | 41% | 0.407 | 43% | 0.431 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79 | 5.5 | 173.7 | -70 | -153 | -6.5 | 0 | 0 | 113.6 | A2028 L2029 N2030 L2034 F2102 Y2140 | A2028-Q2032 WeakPolarHBondContact O-CB 3.48Å; A2028-Q2032 WeakPolarHBondContact O-CG 3.41Å; A2028-Q2032 PolarHBondContact O-N 3.21Å; A2028-Q2032 VanDerWaalsContact O-N 3.13Å; L2029-Q2032 CarbonylContact O-C 3.54Å; L2029-Q2032 PolarHBondContact O-N 3.02Å; L2029-Q2032 VanDerWaalsContact O-N 3.16Å; N2030-Q2032 VanDerWaalsContact C-N 3.29Å; N2030-Q2032 PolarHBondContact O-N 3.2Å; Q2032-L2034 VanDerWaalsContact C-N 3.31Å; Q2032-L2034 HydrophobicContact CB-CD1 4.3Å; Q2032-L2034 PolarHBondContact O-N 3.06Å; Q2032-F2102 HydrophobicContact CG-CZ 4.2Å; Q2032-Y2140 VanDerWaalsContact NE2-CD1 3.25Å |
| 2033 | G | 57.7 | Low | 59.7 | Low | 57.8 Ų | 57.8 | 81.8 Ų | 81.8 | 60% | 0.596 | 45% | 0.447 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.6 | 10.5 | 176 | 0 | 0 | 0 | 0 | 0 | 114.7 | L2029 N2030 K2031 T2035 | L2029-G2033 PolarHBondContact O-N 3.05Å; N2030-G2033 PolarHBondContact O-N 3.08Å; N2030-G2033 VanDerWaalsContact O-N 3.11Å; K2031-G2033 VanDerWaalsContact C-N 3.28Å; K2031-G2033 PolarHBondContact O-N 2.94Å; G2033-T2035 VanDerWaalsContact C-N 3.27Å; G2033-T2035 PolarHBondContact O-N 3.16Å |
| 2034 | L | 55.6 | Low | 58 | Low | 60.6 Ų | 60.6 | 79.1 Ų | 79.1 | 32% | 0.317 | 45% | 0.449 | S | S | . | . | trans | -85.3 | 73.3 | 175.2 | -72.4 | 157.3 | 0 | 0 | 0 | 109.9 | L2029 N2030 Q2032 I2038 Y2050 | L2029-L2034 HydrophobicContact CB-CD1 4.37Å; L2029-L2034 HydrophobicContact CD2-CD1 3.97Å; L2029-L2034 WeakPolarHBondContact O-CB 3.43Å; L2029-L2034 PolarHBondContact O-N 3.18Å; L2029-L2034 VanDerWaalsContact O-N 3.08Å; N2030-L2034 PolarHBondContact OD1-O 3.11Å; Q2032-L2034 VanDerWaalsContact C-N 3.31Å; Q2032-L2034 HydrophobicContact CB-CD1 4.3Å; Q2032-L2034 PolarHBondContact O-N 3.06Å; L2034-I2038 HydrophobicContact CD2-CG2 4.01Å; L2034-I2038 VanDerWaalsContact O-CD1 3.28Å; L2034-I2038 WeakPolarHBondContact O-CD1 3.15Å; L2034-Y2050 WeakPolarHBondContact CD1-OH 3.4Å | ||
| 2035 | T | 46.6 | Very low | 56.2 | Low | 60.4 Ų | 60.4 | 84.3 Ų | 84.3 | 37% | 0.371 | 48% | 0.475 | S | S | . | . | trans | -91.5 | 130 | 178.9 | 50.4 | 0 | 0 | 0 | 0 | 114.6 | N2030 G2033 S2037 I2038 I2039 | N2030-T2035 VanDerWaalsContact OD1-CB 3.28Å; N2030-T2035 WeakPolarHBondContact OD1-CB 3.41Å; N2030-T2035 WeakPolarHBondContact OD1-CG2 3.39Å; N2030-T2035 PolarHBondContact OD1-OG1 3Å; G2033-T2035 VanDerWaalsContact C-N 3.27Å; G2033-T2035 PolarHBondContact O-N 3.16Å; T2035-S2037 WeakPolarHBondContact CB-OG 3.47Å; T2035-S2037 PolarHBondContact O-N 3.09Å; T2035-S2037 PolarHBondContact OG1-OG 3.04Å; T2035-S2037 VanDerWaalsContact OG1-OG 3.13Å; T2035-I2038 HydrophobicContact CG2-CB 3.89Å; T2035-I2038 HydrophobicContact CG2-CD1 4.27Å; T2035-I2038 HydrophobicContact CG2-CG2 4.41Å; T2035-I2038 WeakPolarHBondContact O-CA 3.35Å; T2035-I2038 WeakPolarHBondContact O-CB 3.22Å; T2035-I2038 PolarHBondContact O-N 3.24Å; T2035-I2039 PolarHBondContact O-N 2.9Å | ||
| 2036 | L | 46.3 | Very low | 54.7 | Low | 140.4 Ų | 140.4 | 88 Ų | 88 | 74% | 0.735 | 50% | 0.495 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72 | -17.9 | 168.5 | -130 | 87.5 | 0 | 0 | 0 | 113.9 | N2030 I2038 I2039 N2040 | N2030-L2036 WeakPolarHBondContact OD1-CD1 3.49Å; L2036-I2038 PolarHBondContact O-N 3.43Å; L2036-I2039 HydrophobicContact CD1-CD1 4.32Å; L2036-I2039 PolarHBondContact O-N 3.07Å; L2036-N2040 WeakPolarHBondContact O-CB 3.44Å; L2036-N2040 VanDerWaalsContact O-CG 3.31Å; L2036-N2040 PolarHBondContact O-N 2.85Å; L2036-N2040 VanDerWaalsContact O-N 3.11Å; L2036-N2040 PolarHBondContact O-ND2 3.44Å |
| 2037 | S | 45 | Very low | 53.7 | Low | 82.2 Ų | 82.2 | 88.9 Ų | 88.9 | 58% | 0.575 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -79.2 | -22.3 | 177.4 | 54.3 | 0 | 0 | 0 | 0 | 114.2 | T2035 I2039 N2040 T2041 | T2035-S2037 WeakPolarHBondContact CB-OG 3.47Å; T2035-S2037 PolarHBondContact O-N 3.09Å; T2035-S2037 PolarHBondContact OG1-OG 3.04Å; T2035-S2037 VanDerWaalsContact OG1-OG 3.13Å; S2037-I2039 PolarHBondContact O-N 3.22Å; S2037-N2040 PolarHBondContact O-N 2.79Å; S2037-T2041 PolarHBondContact O-N 3.1Å; S2037-T2041 PolarHBondContact O-OG1 3.3Å |
| 2038 | I | 43.8 | Very low | 53 | Low | 75.8 Ų | 75.8 | 85.4 Ų | 85.4 | 39% | 0.389 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -87.5 | -14.4 | -173.3 | -55 | 176.3 | 0 | 0 | 0 | 112.4 | L2034 T2035 L2036 N2040 T2041 L2043 | L2034-I2038 HydrophobicContact CD2-CG2 4.01Å; L2034-I2038 VanDerWaalsContact O-CD1 3.28Å; L2034-I2038 WeakPolarHBondContact O-CD1 3.15Å; T2035-I2038 HydrophobicContact CG2-CB 3.89Å; T2035-I2038 HydrophobicContact CG2-CD1 4.27Å; T2035-I2038 HydrophobicContact CG2-CG2 4.41Å; T2035-I2038 WeakPolarHBondContact O-CA 3.35Å; T2035-I2038 WeakPolarHBondContact O-CB 3.22Å; T2035-I2038 PolarHBondContact O-N 3.24Å; L2036-I2038 PolarHBondContact O-N 3.43Å; I2038-N2040 VanDerWaalsContact C-N 3.29Å; I2038-N2040 PolarHBondContact O-N 3.41Å; I2038-T2041 VanDerWaalsContact CA-OG1 3.26Å; I2038-T2041 WeakPolarHBondContact CA-OG1 3.24Å; I2038-T2041 WeakPolarHBondContact CG2-O 3.5Å; I2038-T2041 PolarHBondContact O-N 3.3Å; I2038-T2041 PolarHBondContact O-OG1 3.38Å; I2038-L2043 HydrophobicContact CG2-CD1 3.99Å |
| 2039 | I | 44.2 | Very low | 52.8 | Low | 100 Ų | 100 | 85.6 Ų | 85.6 | 51% | 0.513 | 49% | 0.485 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.8 | -28 | 177.4 | -62.8 | 177.8 | 0 | 0 | 0 | 111.6 | V1988 T2035 L2036 S2037 | V1988-I2039 HydrophobicContact CG1-CB 3.87Å; V1988-I2039 HydrophobicContact CG1-CG1 4.07Å; V1988-I2039 HydrophobicContact CG1-CG2 3.46Å; V1988-I2039 VanDerWaalsContact CG1-CG2 3.46Å; T2035-I2039 PolarHBondContact O-N 2.9Å; L2036-I2039 HydrophobicContact CD1-CD1 4.32Å; L2036-I2039 PolarHBondContact O-N 3.07Å; S2037-I2039 PolarHBondContact O-N 3.22Å |
| 2040 | N | 42.4 | Very low | 53.1 | Low | 135.4 Ų | 135.4 | 85.5 Ų | 85.5 | 72% | 0.724 | 48% | 0.484 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.2 | 1.4 | -174.5 | -71.2 | -20.3 | 0 | 0 | 0 | 115.1 | L2036 S2037 I2038 | L2036-N2040 WeakPolarHBondContact O-CB 3.44Å; L2036-N2040 VanDerWaalsContact O-CG 3.31Å; L2036-N2040 PolarHBondContact O-N 2.85Å; L2036-N2040 VanDerWaalsContact O-N 3.11Å; L2036-N2040 PolarHBondContact O-ND2 3.44Å; S2037-N2040 PolarHBondContact O-N 2.79Å; I2038-N2040 VanDerWaalsContact C-N 3.29Å; I2038-N2040 PolarHBondContact O-N 3.41Å |
| 2041 | T | 37.3 | Very low | 53.7 | Low | 75.6 Ų | 75.6 | 82.7 Ų | 82.7 | 46% | 0.464 | 47% | 0.469 | S | S | . | . | S | Bend | trans | -110.9 | 123 | 172.4 | 24 | 0 | 0 | 0 | 0 | 109.8 | S2037 I2038 L2043 | S2037-T2041 PolarHBondContact O-N 3.1Å; S2037-T2041 PolarHBondContact O-OG1 3.3Å; I2038-T2041 VanDerWaalsContact CA-OG1 3.26Å; I2038-T2041 WeakPolarHBondContact CA-OG1 3.24Å; I2038-T2041 WeakPolarHBondContact CG2-O 3.5Å; I2038-T2041 PolarHBondContact O-N 3.3Å; I2038-T2041 PolarHBondContact O-OG1 3.38Å; T2041-L2043 HydrophobicContact CG2-CD1 4.23Å; T2041-L2043 PolarHBondContact O-N 3.15Å; T2041-L2043 WeakPolarHBondContact OG1-CD1 3.37Å |
| 2042 | P | 38.4 | Very low | 54.3 | Low | 124 Ų | 124 | 75 Ų | 75 | 81% | 0.805 | 44% | 0.435 | S | S | * | . | trans | -75.3 | 78.5 | 174.2 | 32.1 | -31.6 | 0 | 0 | 0 | 107.9 | S2044 | P2042-S2044 VanDerWaalsContact C-N 3.27Å; P2042-S2044 PolarHBondContact O-N 3.22Å; P2042-S2044 VanDerWaalsContact O-N 3.16Å | ||
| 2043 | L | 37.9 | Very low | 55.3 | Low | 112.8 Ų | 112.8 | 71.7 Ų | 71.7 | 59% | 0.591 | 42% | 0.42 | S | S | * | . | trans | -69.9 | 122.9 | 163.8 | -103.7 | 86.3 | 0 | 0 | 0 | 107.2 | I2038 T2041 D2045 N2046 | I2038-L2043 HydrophobicContact CG2-CD1 3.99Å; T2041-L2043 HydrophobicContact CG2-CD1 4.23Å; T2041-L2043 PolarHBondContact O-N 3.15Å; T2041-L2043 WeakPolarHBondContact OG1-CD1 3.37Å; L2043-D2045 VanDerWaalsContact C-N 3.29Å; L2043-D2045 PolarHBondContact O-N 3.2Å; L2043-D2045 VanDerWaalsContact O-N 3.13Å; L2043-N2046 PolarHBondContact O-N 3.29Å; L2043-N2046 VanDerWaalsContact O-N 3.14Å; L2043-N2046 PolarHBondContact O-OD1 3.06Å | ||
| 2044 | S | 43.8 | Very low | 56.8 | Low | 108.4 Ų | 108.4 | 69 Ų | 69 | 76% | 0.758 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | -7.7 | -172.3 | 42.4 | 0 | 0 | 0 | 0 | 115.5 | P2042 N2046 | P2042-S2044 VanDerWaalsContact C-N 3.27Å; P2042-S2044 PolarHBondContact O-N 3.22Å; P2042-S2044 VanDerWaalsContact O-N 3.16Å; S2044-N2046 PolarHBondContact O-N 2.98Å |
| 2045 | D | 43.2 | Very low | 58.4 | Low | 124 Ų | 124 | 67.5 Ų | 67.5 | 66% | 0.663 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.6 | 20.6 | -169.7 | -65.1 | -32.2 | 0 | 0 | 0 | 115.2 | L2043 N2047 | L2043-D2045 VanDerWaalsContact C-N 3.29Å; L2043-D2045 PolarHBondContact O-N 3.2Å; L2043-D2045 VanDerWaalsContact O-N 3.13Å; D2045-N2047 VanDerWaalsContact C-N 3.32Å; D2045-N2047 PolarHBondContact O-N 3.11Å; D2045-N2047 VanDerWaalsContact O-N 3.09Å |
| 2046 | N | 49 | Very low | 60.3 | Low | 80.2 Ų | 80.2 | 66.3 Ų | 66.3 | 43% | 0.429 | 37% | 0.373 | S | S | . | . | trans | -82.2 | 44.6 | 175.8 | -83.9 | -12.4 | 0 | 0 | 0 | 113.3 | Q1987 S1989 L2043 S2044 T2048 | Q1987-N2046 PolarHBondContact NE2-O 3.18Å; S1989-N2046 PolarHBondContact OG-OD1 3.34Å; L2043-N2046 PolarHBondContact O-N 3.29Å; L2043-N2046 VanDerWaalsContact O-N 3.14Å; L2043-N2046 PolarHBondContact O-OD1 3.06Å; S2044-N2046 PolarHBondContact O-N 2.98Å; N2046-T2048 VanDerWaalsContact C-N 3.29Å; N2046-T2048 PolarHBondContact O-N 3.18Å | ||
| 2047 | N | 55.7 | Low | 62.3 | Low | 84.4 Ų | 84.4 | 59.6 Ų | 59.6 | 45% | 0.451 | 34% | 0.338 | S | S | . | . | trans | -79.3 | 41 | 173.3 | -89.1 | 0.4 | 0 | 0 | 0 | 112.3 | Q1987 D2045 I2049 I2107 N2109 | Q1987-N2047 PolarHBondContact NE2-OD1 3.18Å; D2045-N2047 VanDerWaalsContact C-N 3.32Å; D2045-N2047 PolarHBondContact O-N 3.11Å; D2045-N2047 VanDerWaalsContact O-N 3.09Å; N2047-I2049 PolarHBondContact O-N 3.32Å; N2047-I2107 HydrophobicContact CB-CB 4.1Å; N2047-I2107 WeakPolarHBondContact CB-O 3.44Å; N2047-I2107 PolarHBondContact ND2-O 3.26Å; N2047-I2107 PolarHBondContact O-N 3.01Å; N2047-N2109 VanDerWaalsContact ND2-CG 3.32Å; N2047-N2109 PolarHBondContact ND2-ND2 3.23Å | ||
| 2048 | T | 64.9 | Low | 64.2 | Low | 23.6 Ų | 23.6 | 56.9 Ų | 56.9 | 15% | 0.145 | 32% | 0.318 | C | S | . | . | trans | -84.4 | 116.2 | 174.2 | 37.4 | 0 | 0 | 0 | 0 | 110.4 | N2046 Y2050 R2104 I2105 K2106 | N2046-T2048 VanDerWaalsContact C-N 3.29Å; N2046-T2048 PolarHBondContact O-N 3.18Å; T2048-Y2050 HydrophobicContact CG2-CE1 4.4Å; T2048-Y2050 HydrophobicContact CG2-CE2 3.97Å; T2048-R2104 HydrophobicContact CG2-CG 3.51Å; T2048-I2105 WeakPolarHBondContact CA-O 3.21Å; T2048-K2106 HydrophobicContact CG2-CG 4.48Å | ||
| 2049 | I | 73.3 | Confident | 66.1 | Low | 19 Ų | 19 | 53.2 Ų | 53.2 | 10% | 0.097 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 133.3 | 176.2 | -56.1 | 175.1 | 0 | 0 | 0 | 108.1 | F1985 Q1987 L2005 L2009 N2047 I2105 I2107 | F1985-I2049 HydrophobicContact CB-CG2 4.21Å; Q1987-I2049 HydrophobicContact CG-CG1 4.43Å; L2005-I2049 HydrophobicContact CD1-CD1 4.06Å; L2005-I2049 HydrophobicContact CD2-CD1 3.79Å; L2005-I2049 HydrophobicContact CG-CD1 4.06Å; L2009-I2049 HydrophobicContact CD1-CD1 4.34Å; L2009-I2049 HydrophobicContact CD2-CG2 4.34Å; N2047-I2049 PolarHBondContact O-N 3.32Å; I2049-I2105 HydrophobicContact CG2-CD1 4.11Å; I2049-I2105 PolarHBondContact N-O 3.12Å; I2049-I2105 WeakPolarHBondContact O-CB 3.47Å; I2049-I2105 PolarHBondContact O-N 3.21Å; I2049-I2107 HydrophobicContact CD1-CD1 4.14Å; I2049-I2107 HydrophobicContact CG1-CD1 4.44Å |
| 2050 | Y | 79.5 | Confident | 68.2 | Low | 7.6 Ų | 7.6 | 48.5 Ų | 48.5 | 3% | 0.03 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 133.2 | 174.6 | -61.9 | -88.2 | 0 | 0 | 0 | 109.5 | F1985 Y1986 V1988 L2029 L2034 T2048 F2102 T2103 R2104 | F1985-Y2050 CarbonylContact C-O 3.5Å; F1985-Y2050 WeakPolarHBondContact CA-O 3.37Å; Y1986-Y2050 HydrophobicContact CD1-CD2 4.26Å; Y1986-Y2050 PolarHBondContact N-O 3.05Å; Y1986-Y2050 WeakPolarHBondContact O-CB 3.42Å; Y1986-Y2050 PolarHBondContact O-N 3.19Å; V1988-Y2050 HydrophobicContact CG2-CD2 4.13Å; V1988-Y2050 HydrophobicContact CG2-CE2 3.72Å; L2029-Y2050 HydrophobicContact CD1-CD2 4.41Å; L2029-Y2050 HydrophobicContact CD1-CE2 4.23Å; L2029-Y2050 HydrophobicContact CD2-CD1 4.08Å; L2029-Y2050 HydrophobicContact CD2-CD2 4.42Å; L2029-Y2050 HydrophobicContact CD2-CE1 3.51Å; L2029-Y2050 VanDerWaalsContact CD2-CE1 3.4Å; L2029-Y2050 HydrophobicContact CD2-CE2 4.05Å; L2029-Y2050 HydrophobicContact CD2-CG 4.45Å; L2029-Y2050 VanDerWaalsContact CD2-CZ 3.44Å; L2034-Y2050 WeakPolarHBondContact CD1-OH 3.4Å; T2048-Y2050 HydrophobicContact CG2-CE1 4.4Å; T2048-Y2050 HydrophobicContact CG2-CE2 3.97Å; Y2050-F2102 HydrophobicContact CD1-CD2 4.2Å; Y2050-F2102 HydrophobicContact CD1-CE2 4.43Å; Y2050-T2103 CarbonylContact C-O 3.55Å; Y2050-T2103 VanDerWaalsContact CA-O 3.3Å; Y2050-T2103 WeakPolarHBondContact CA-O 3.32Å; Y2050-R2104 HydrophobicContact CD1-CB 4.16Å; Y2050-R2104 HydrophobicContact CD1-CG 4.38Å; Y2050-R2104 HydrophobicContact CE1-CB 4.01Å; Y2050-R2104 HydrophobicContact CE1-CG 4Å |
| 2051 | L | 83.8 | Confident | 70.3 | Confident | 15 Ų | 15 | 43.3 Ų | 43.3 | 8% | 0.079 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 119.8 | 171.9 | -174.2 | 71.9 | 0 | 0 | 0 | 108.2 | K1983 Y1984 F2102 T2103 I2105 | K1983-L2051 HydrophobicContact CB-CD1 4.08Å; K1983-L2051 HydrophobicContact CD-CD1 4.48Å; K1983-L2051 HydrophobicContact CD-CD2 4.42Å; Y1984-L2051 CarbonylContact O-C 3.31Å; Y1984-L2051 WeakPolarHBondContact O-CA 3.25Å; L2051-F2102 CarbonylContact O-C 3.42Å; L2051-F2102 VanDerWaalsContact O-CA 3.28Å; L2051-F2102 WeakPolarHBondContact O-CA 3.3Å; L2051-T2103 PolarHBondContact N-O 3.08Å; L2051-T2103 PolarHBondContact O-N 3.19Å; L2051-T2103 PolarHBondContact O-OG1 3.1Å; L2051-I2105 HydrophobicContact CB-CD1 4.02Å; L2051-I2105 HydrophobicContact CB-CG1 4.17Å; L2051-I2105 HydrophobicContact CD2-CD1 4.49Å |
| 2052 | I | 85.6 | Confident | 72.5 | Confident | 0.6 Ų | 0.6 | 41.2 Ų | 41.2 | 0% | 0.003 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 123.6 | 177.4 | -59.2 | 151.1 | 0 | 0 | 0 | 107.9 | K1983 Y1984 Y1986 L2015 L2021 I2025 L2101 F2102 L2142 | K1983-I2052 CarbonylContact C-O 3.43Å; K1983-I2052 WeakPolarHBondContact CA-O 3.45Å; Y1984-I2052 PolarHBondContact N-O 3.16Å; Y1984-I2052 PolarHBondContact O-N 3.21Å; Y1986-I2052 VanDerWaalsContact CB-CD1 3.4Å; Y1986-I2052 HydrophobicContact CG-CD1 4.42Å; L2015-I2052 HydrophobicContact CD1-CD1 4.33Å; L2015-I2052 HydrophobicContact CD2-CD1 3.97Å; L2021-I2052 HydrophobicContact CD1-CG2 4Å; I2025-I2052 HydrophobicContact CB-CD1 4.26Å; I2025-I2052 HydrophobicContact CD1-CD1 4.12Å; I2025-I2052 HydrophobicContact CD1-CG1 4.29Å; I2025-I2052 HydrophobicContact CG1-CD1 4.13Å; I2025-I2052 HydrophobicContact CG1-CG1 4.35Å; I2025-I2052 HydrophobicContact CG2-CD1 4.44Å; I2052-L2101 CarbonylContact C-O 3.54Å; I2052-L2101 WeakPolarHBondContact CA-O 3.31Å; I2052-F2102 HydrophobicContact CG1-CB 4.13Å; I2052-L2142 HydrophobicContact CD1-CD2 4.43Å; I2052-L2142 HydrophobicContact CG1-CD2 4.46Å; I2052-L2142 HydrophobicContact CG2-CD2 3.84Å |
| 2053 | E | 87.1 | Confident | 74.8 | Confident | 18.8 Ų | 18.8 | 35.3 Ų | 35.3 | 9% | 0.088 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 112.1 | 172.3 | -55.4 | -159.3 | 134 | 0 | 0 | 108.9 | K1981 I1982 K1983 A2100 L2101 L2139 | K1981-E2053 WeakPolarHBondContact CE-OE1 3.39Å; K1981-E2053 VanDerWaalsContact CE-OE2 3.23Å; K1981-E2053 WeakPolarHBondContact CE-OE2 3.33Å; K1981-E2053 IonicContact NZ-OE1 3.41Å; K1981-E2053 PolarHBondContact NZ-OE1 3.24Å; K1981-E2053 IonicContact NZ-OE2 3.41Å; K1981-E2053 PolarHBondContact NZ-OE2 3.19Å; I1982-E2053 WeakPolarHBondContact O-CA 3.24Å; K1983-E2053 WeakPolarHBondContact CE-OE1 3.4Å; K1983-E2053 HydrophobicContact CG-CG 4.45Å; E2053-A2100 CarbonylContact O-C 3.55Å; E2053-A2100 VanDerWaalsContact O-CA 3.27Å; E2053-A2100 WeakPolarHBondContact O-CA 3.37Å; E2053-L2101 HydrophobicContact CB-CB 4.49Å; E2053-L2101 PolarHBondContact N-O 2.95Å; E2053-L2101 PolarHBondContact O-N 3.11Å; E2053-L2139 HydrophobicContact CG-CD2 4.18Å |
| 2054 | D | 88.8 | Confident | 77.2 | Confident | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 169.3 | 178.4 | -169 | 16.2 | 0 | 0 | 0 | 110.2 | K1981 I1982 Y1984 H2019 R2020 L2021 A2100 S2145 S2146 | K1981-D2054 WeakPolarHBondContact CA-O 3.4Å; I1982-D2054 HydrophobicContact CG2-CB 3.83Å; I1982-D2054 PolarHBondContact N-O 3.23Å; I1982-D2054 PolarHBondContact O-N 3.03Å; Y1984-D2054 HydrophobicContact CD2-CB 4.12Å; Y1984-D2054 HydrophobicContact CE2-CB 3.8Å; H2019-D2054 IonicContact CE1-OD2 3.16Å; H2019-D2054 PolarHBondContact CE1-OD2 2.9Å; H2019-D2054 IonicContact NE2-OD2 3.13Å; R2020-D2054 IonicContact CZ-OD1 2.78Å; R2020-D2054 IonicContact CZ-OD2 3.29Å; R2020-D2054 IonicContact NH1-OD1 2.72Å; R2020-D2054 IonicContact NH1-OD2 2.68Å; R2020-D2054 PolarHBondContact NH1-OD2 2.86Å; R2020-D2054 IonicContact NH2-OD1 3Å; R2020-D2054 PolarHBondContact NH2-OD1 2.95Å; R2020-D2054 IonicContact NH2-OD2 3.53Å; R2020-D2054 PolarHBondContact NH2-OD2 3.23Å; L2021-D2054 HydrophobicContact CD1-CB 3.93Å; L2021-D2054 VanDerWaalsContact CD1-CG 3.45Å; L2021-D2054 WeakPolarHBondContact CD1-OD2 3.2Å; D2054-A2100 HydrophobicContact CB-CB 4.43Å; D2054-S2145 VanDerWaalsContact OD1-CA 3.28Å; D2054-S2145 WeakPolarHBondContact OD1-CA 3.38Å; D2054-S2145 WeakPolarHBondContact OD1-CB 3.38Å; D2054-S2146 PolarHBondContact OD1-N 3.03Å; D2054-S2146 VanDerWaalsContact OD2-CB 3.26Å; D2054-S2146 WeakPolarHBondContact OD2-CB 3.38Å; D2054-S2146 PolarHBondContact OD2-OG 2.98Å |
| 2055 | Y | 89.4 | Confident | 79.1 | Confident | 29 Ų | 29 | 28 Ų | 28 | 11% | 0.114 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 132.7 | 179.6 | -63.1 | -84.1 | 0 | 0 | 0 | 110.7 | V1979 H1980 K1981 V2097 S2099 S2146 W2147 | V1979-Y2055 HydrophobicContact CG1-CD1 4.1Å; V1979-Y2055 HydrophobicContact CG1-CG 4.26Å; H1980-Y2055 VanDerWaalsContact O-CA 3.31Å; H1980-Y2055 WeakPolarHBondContact O-CA 3.31Å; K1981-Y2055 HydrophobicContact CB-CD1 3.99Å; K1981-Y2055 HydrophobicContact CB-CE1 3.69Å; K1981-Y2055 HydrophobicContact CD-CE1 4.16Å; K1981-Y2055 HydrophobicContact CG-CD1 4.35Å; K1981-Y2055 HydrophobicContact CG-CE1 3.81Å; Y2055-V2097 HydrophobicContact CD1-CB 3.78Å; Y2055-V2097 HydrophobicContact CD1-CG1 3.65Å; Y2055-V2097 HydrophobicContact CD2-CB 4.11Å; Y2055-V2097 HydrophobicContact CD2-CG1 4.48Å; Y2055-V2097 HydrophobicContact CE1-CB 4.07Å; Y2055-V2097 HydrophobicContact CE1-CG1 3.52Å; Y2055-V2097 VanDerWaalsContact CE1-CG1 3.45Å; Y2055-V2097 HydrophobicContact CE2-CB 4.4Å; Y2055-V2097 HydrophobicContact CE2-CG1 4.45Å; Y2055-V2097 HydrophobicContact CG-CB 3.8Å; Y2055-V2097 HydrophobicContact CG-CG1 4.19Å; Y2055-S2099 WeakPolarHBondContact CE2-O 3.24Å; Y2055-S2146 WeakPolarHBondContact O-CB 3.46Å; Y2055-S2146 PolarHBondContact O-N 3.08Å; Y2055-S2146 VanDerWaalsContact O-N 3.11Å; Y2055-W2147 PolarHBondContact O-N 3.24Å; Y2055-W2147 VanDerWaalsContact O-N 3.11Å |
| 2056 | I | 87 | Confident | 81 | Confident | 34.6 Ų | 34.6 | 22.3 Ų | 22.3 | 18% | 0.177 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 152.7 | 176.6 | 64.5 | 160.1 | 0 | 0 | 0 | 111 | V1979 H1980 I1982 P2058 | V1979-I2056 CarbonylContact C-O 3.45Å; V1979-I2056 WeakPolarHBondContact CA-O 3.43Å; H1980-I2056 HydrophobicContact CB-CG1 4.31Å; H1980-I2056 PolarHBondContact N-O 2.84Å; H1980-I2056 PolarHBondContact O-N 3.29Å; I1982-I2056 HydrophobicContact CD1-CB 4.26Å; I1982-I2056 HydrophobicContact CD1-CD1 3.61Å; I1982-I2056 HydrophobicContact CD1-CG1 3.47Å; I1982-I2056 VanDerWaalsContact CD1-CG1 3.41Å; I1982-I2056 HydrophobicContact CD1-CG2 3.8Å; I1982-I2056 HydrophobicContact CG1-CD1 4.34Å; I1982-I2056 HydrophobicContact CG1-CG1 4.02Å; I1982-I2056 HydrophobicContact CG1-CG2 4.39Å; I1982-I2056 HydrophobicContact CG2-CG2 4.25Å; I2056-P2058 HydrophobicContact CD1-CG 3.97Å; I2056-P2058 HydrophobicContact CG1-CG 4.44Å |
| 2057 | S | 89 | Confident | 82.7 | Confident | 0.2 Ų | 0.2 | 18.6 Ų | 18.6 | 0% | 0.001 | 10% | 0.101 | C | C | . | . | trans | -131.7 | 91.7 | 171.5 | 171.2 | 0 | 0 | 0 | 0 | 109.8 | S1978 G2059 I2060 D2061 W2147 | S1978-S2057 VanDerWaalsContact O-CB 3.3Å; S1978-S2057 WeakPolarHBondContact O-CB 3.3Å; S1978-S2057 PolarHBondContact O-OG 2.99Å; S2057-G2059 VanDerWaalsContact C-N 3.26Å; S2057-G2059 PolarHBondContact O-N 3.14Å; S2057-I2060 PolarHBondContact O-N 2.9Å; S2057-I2060 WeakPolarHBondContact OG-CB 3.41Å; S2057-I2060 WeakPolarHBondContact OG-CD1 3.26Å; S2057-I2060 VanDerWaalsContact OG-CG1 3.24Å; S2057-I2060 WeakPolarHBondContact OG-CG1 3.4Å; S2057-I2060 PolarHBondContact OG-N 3.09Å; S2057-D2061 VanDerWaalsContact O-CB 3.3Å; S2057-D2061 WeakPolarHBondContact O-CB 3.35Å; S2057-D2061 VanDerWaalsContact O-CG 3.26Å; S2057-D2061 PolarHBondContact O-N 2.95Å; S2057-W2147 WeakPolarHBondContact OG-CB 3.39Å | ||
| 2058 | P | 83.5 | Confident | 83.9 | Confident | 25 Ų | 25 | 17.4 Ų | 17.4 | 16% | 0.162 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -57.9 | -37.1 | -178.7 | -24.8 | 33.8 | 0 | 0 | 0 | 113.1 | P1888 I2056 L2062 | P1888-P2058 HydrophobicContact CB-CB 3.76Å; P1888-P2058 HydrophobicContact CB-CG 4.25Å; P1888-P2058 HydrophobicContact CG-CB 4.05Å; I2056-P2058 HydrophobicContact CD1-CG 3.97Å; I2056-P2058 HydrophobicContact CG1-CG 4.44Å; P2058-L2062 VanDerWaalsContact O-CB 3.26Å; P2058-L2062 WeakPolarHBondContact O-CB 3.32Å; P2058-L2062 VanDerWaalsContact O-CD1 3.32Å; P2058-L2062 WeakPolarHBondContact O-CD1 3.23Å; P2058-L2062 VanDerWaalsContact O-CG 3.29Å; P2058-L2062 WeakPolarHBondContact O-CG 3.34Å; P2058-L2062 PolarHBondContact O-N 3.2Å; P2058-L2062 VanDerWaalsContact O-N 3.1Å |
| 2059 | G | 85.1 | Confident | 84.6 | Confident | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -65.7 | -48.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | L1976 S2057 D2061 L2062 L2063 | L1976-G2059 CarbonylContact O-C 3.58Å; L1976-G2059 VanDerWaalsContact O-C 3.26Å; L1976-G2059 VanDerWaalsContact O-CA 3.24Å; L1976-G2059 WeakPolarHBondContact O-CA 3.41Å; S2057-G2059 VanDerWaalsContact C-N 3.26Å; S2057-G2059 PolarHBondContact O-N 3.14Å; G2059-D2061 VanDerWaalsContact C-N 3.34Å; G2059-L2062 PolarHBondContact O-N 3.31Å; G2059-L2063 WeakPolarHBondContact O-CB 3.35Å; G2059-L2063 WeakPolarHBondContact O-CG 3.42Å; G2059-L2063 PolarHBondContact O-N 3.15Å; G2059-L2063 VanDerWaalsContact O-N 3.08Å |
| 2060 | I | 87.6 | Confident | 84.9 | Confident | 0.2 Ų | 0.2 | 21.4 Ų | 21.4 | 0% | 0.001 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -64.9 | -44.5 | 176.5 | -62.7 | 172.6 | 0 | 0 | 0 | 110.3 | L1976 L1977 S2057 L2062 L2063 L2064 L2087 Y2094 W2147 L2151 | L1976-I2060 PolarHBondContact O-N 3.25Å; L1977-I2060 HydrophobicContact CD2-CD1 4.45Å; L1977-I2060 HydrophobicContact CD2-CG1 4.1Å; S2057-I2060 PolarHBondContact O-N 2.9Å; S2057-I2060 WeakPolarHBondContact OG-CB 3.41Å; S2057-I2060 WeakPolarHBondContact OG-CD1 3.26Å; S2057-I2060 VanDerWaalsContact OG-CG1 3.24Å; S2057-I2060 WeakPolarHBondContact OG-CG1 3.4Å; S2057-I2060 PolarHBondContact OG-N 3.09Å; I2060-L2062 VanDerWaalsContact C-N 3.27Å; I2060-L2062 PolarHBondContact O-N 3.17Å; I2060-L2063 WeakPolarHBondContact O-CB 3.28Å; I2060-L2063 PolarHBondContact O-N 3.23Å; I2060-L2063 VanDerWaalsContact O-N 3.16Å; I2060-L2064 HydrophobicContact CG2-CD1 3.72Å; I2060-L2064 HydrophobicContact CG2-CG 4.07Å; I2060-L2064 WeakPolarHBondContact O-CB 3.23Å; I2060-L2064 VanDerWaalsContact O-CG 3.24Å; I2060-L2064 WeakPolarHBondContact O-CG 3.32Å; I2060-L2064 PolarHBondContact O-N 3.3Å; I2060-L2087 HydrophobicContact CD1-CD2 3.95Å; I2060-Y2094 HydrophobicContact CD1-CE1 4.33Å; I2060-W2147 HydrophobicContact CD1-CE3 4.28Å; I2060-W2147 HydrophobicContact CD1-CZ3 4.35Å; I2060-L2151 HydrophobicContact CG2-CD1 4.21Å |
| 2061 | D | 85.9 | Confident | 84.4 | Confident | 25.8 Ų | 25.8 | 30.3 Ų | 30.3 | 14% | 0.138 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -56.7 | -41.6 | 178.7 | -80.6 | 13.5 | 0 | 0 | 0 | 112.3 | R2020 S2057 G2059 T2065 K2150 | R2020-D2061 IonicContact NH1-OD2 3.37Å; R2020-D2061 IonicContact NH2-OD2 3.84Å; R2020-D2061 PolarHBondContact NH2-OD2 3.21Å; S2057-D2061 VanDerWaalsContact O-CB 3.3Å; S2057-D2061 WeakPolarHBondContact O-CB 3.35Å; S2057-D2061 VanDerWaalsContact O-CG 3.26Å; S2057-D2061 PolarHBondContact O-N 2.95Å; G2059-D2061 VanDerWaalsContact C-N 3.34Å; D2061-T2065 WeakPolarHBondContact O-CB 3.36Å; D2061-T2065 PolarHBondContact O-N 3.17Å; D2061-T2065 VanDerWaalsContact O-N 3.1Å; D2061-T2065 PolarHBondContact O-OG1 3.13Å; D2061-K2150 HydrophobicContact CB-CD 4.3Å; D2061-K2150 HydrophobicContact CB-CG 4.4Å; D2061-K2150 VanDerWaalsContact CG-NZ 3.31Å; D2061-K2150 WeakPolarHBondContact OD1-CB 3.33Å; D2061-K2150 VanDerWaalsContact OD1-CD 3.26Å; D2061-K2150 WeakPolarHBondContact OD1-CD 3.42Å; D2061-K2150 IonicContact OD1-NZ 2.7Å; D2061-K2150 VanDerWaalsContact OD2-CD 3.25Å; D2061-K2150 WeakPolarHBondContact OD2-CD 3.38Å; D2061-K2150 WeakPolarHBondContact OD2-CE 3.22Å; D2061-K2150 WeakPolarHBondContact OD2-CG 3.33Å; D2061-K2150 IonicContact OD2-NZ 3.47Å; D2061-K2150 PolarHBondContact OD2-NZ 3.34Å |
| 2062 | L | 84.1 | Confident | 84.1 | Confident | 33 Ų | 33 | 33.2 Ų | 33.2 | 17% | 0.173 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -70.2 | -43.4 | 177.3 | -72.8 | 167.7 | 0 | 0 | 0 | 112 | P1888 I1890 L1933 D1941 I1943 P2058 G2059 I2060 L2064 T2065 C2066 | P1888-L2062 HydrophobicContact CB-CD1 4.38Å; P1888-L2062 HydrophobicContact CG-CD1 4.11Å; I1890-L2062 HydrophobicContact CD1-CD1 4.14Å; L1933-L2062 HydrophobicContact CD1-CB 3.94Å; D1941-L2062 HydrophobicContact CB-CD2 4.24Å; I1943-L2062 HydrophobicContact CB-CD1 4.03Å; I1943-L2062 HydrophobicContact CD1-CD1 3.51Å; I1943-L2062 VanDerWaalsContact CD1-CD1 3.49Å; I1943-L2062 HydrophobicContact CD1-CD2 3.68Å; I1943-L2062 HydrophobicContact CD1-CG 4.16Å; I1943-L2062 HydrophobicContact CG1-CD1 3.8Å; I1943-L2062 HydrophobicContact CG1-CD2 4.23Å; I1943-L2062 HydrophobicContact CG2-CD1 4.49Å; P2058-L2062 VanDerWaalsContact O-CB 3.26Å; P2058-L2062 WeakPolarHBondContact O-CB 3.32Å; P2058-L2062 VanDerWaalsContact O-CD1 3.32Å; P2058-L2062 WeakPolarHBondContact O-CD1 3.23Å; P2058-L2062 VanDerWaalsContact O-CG 3.29Å; P2058-L2062 WeakPolarHBondContact O-CG 3.34Å; P2058-L2062 PolarHBondContact O-N 3.2Å; P2058-L2062 VanDerWaalsContact O-N 3.1Å; G2059-L2062 PolarHBondContact O-N 3.31Å; I2060-L2062 VanDerWaalsContact C-N 3.27Å; I2060-L2062 PolarHBondContact O-N 3.17Å; L2062-L2064 VanDerWaalsContact C-N 3.33Å; L2062-L2064 PolarHBondContact O-N 3.07Å; L2062-T2065 WeakPolarHBondContact O-CB 3.37Å; L2062-T2065 PolarHBondContact O-N 3Å; L2062-T2065 VanDerWaalsContact O-N 3.16Å; L2062-C2066 PolarHBondContact O-N 3.03Å; L2062-C2066 PolarHBondContact O-SG 3Å; L2062-C2066 VanDerWaalsContact O-SG 3.42Å |
| 2063 | L | 86.8 | Confident | 83.6 | Confident | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -59.4 | -46.6 | 175.6 | -93.7 | 169.2 | 0 | 0 | 0 | 111.6 | L1929 F1932 L1933 L1976 L1977 G2059 I2060 T2065 C2066 I2067 L2083 | L1929-L2063 HydrophobicContact CB-CD1 3.92Å; L1929-L2063 HydrophobicContact CB-CD2 4.38Å; L1929-L2063 HydrophobicContact CD1-CD1 4.11Å; L1929-L2063 HydrophobicContact CD2-CD1 4.21Å; L1929-L2063 HydrophobicContact CG-CD1 4.32Å; F1932-L2063 HydrophobicContact CD1-CD2 4.41Å; L1933-L2063 HydrophobicContact CB-CD2 3.94Å; L1933-L2063 HydrophobicContact CD1-CB 4.33Å; L1933-L2063 HydrophobicContact CD1-CD2 3.89Å; L1933-L2063 HydrophobicContact CD1-CG 3.84Å; L1933-L2063 HydrophobicContact CG-CD2 4.43Å; L1976-L2063 HydrophobicContact CD1-CD1 3.67Å; L1976-L2063 VanDerWaalsContact CD1-CD1 3.5Å; L1976-L2063 HydrophobicContact CD1-CD2 4.19Å; L1976-L2063 HydrophobicContact CD1-CG 3.77Å; L1976-L2063 HydrophobicContact CD2-CD1 3.96Å; L1976-L2063 HydrophobicContact CG-CD1 3.8Å; L1976-L2063 HydrophobicContact CG-CG 4.4Å; L1977-L2063 HydrophobicContact CD2-CD1 4.21Å; G2059-L2063 WeakPolarHBondContact O-CB 3.35Å; G2059-L2063 WeakPolarHBondContact O-CG 3.42Å; G2059-L2063 PolarHBondContact O-N 3.15Å; G2059-L2063 VanDerWaalsContact O-N 3.08Å; I2060-L2063 WeakPolarHBondContact O-CB 3.28Å; I2060-L2063 PolarHBondContact O-N 3.23Å; I2060-L2063 VanDerWaalsContact O-N 3.16Å; L2063-T2065 VanDerWaalsContact C-N 3.3Å; L2063-T2065 PolarHBondContact O-N 3.22Å; L2063-C2066 PolarHBondContact O-N 2.91Å; L2063-C2066 VanDerWaalsContact O-N 3.15Å; L2063-I2067 HydrophobicContact CD2-CD1 3.6Å; L2063-I2067 HydrophobicContact CD2-CG1 4.36Å; L2063-I2067 WeakPolarHBondContact O-CB 3.33Å; L2063-I2067 VanDerWaalsContact O-CG1 3.27Å; L2063-I2067 WeakPolarHBondContact O-CG1 3.36Å; L2063-I2067 PolarHBondContact O-N 3.31Å; L2063-L2083 HydrophobicContact CD1-CD1 4.15Å; L2063-L2083 HydrophobicContact CD2-CB 4.4Å; L2063-L2083 HydrophobicContact CD2-CD1 4.03Å; L2063-L2083 HydrophobicContact CD2-CD2 3.67Å; L2063-L2083 HydrophobicContact CD2-CG 4.24Å |
| 2064 | L | 87.5 | Confident | 83.2 | Confident | 0.6 Ų | 0.6 | 42.7 Ų | 42.7 | 0% | 0.003 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -60.4 | -41.5 | 177.1 | -68.8 | 171.5 | 0 | 0 | 0 | 111.6 | I2060 L2062 C2066 I2067 A2068 L2083 K2150 L2151 T2154 W2156 | I2060-L2064 HydrophobicContact CG2-CD1 3.72Å; I2060-L2064 HydrophobicContact CG2-CG 4.07Å; I2060-L2064 WeakPolarHBondContact O-CB 3.23Å; I2060-L2064 VanDerWaalsContact O-CG 3.24Å; I2060-L2064 WeakPolarHBondContact O-CG 3.32Å; I2060-L2064 PolarHBondContact O-N 3.3Å; L2062-L2064 VanDerWaalsContact C-N 3.33Å; L2062-L2064 PolarHBondContact O-N 3.07Å; L2064-C2066 VanDerWaalsContact C-N 3.34Å; L2064-C2066 PolarHBondContact O-N 3.13Å; L2064-I2067 PolarHBondContact O-N 3.18Å; L2064-A2068 VanDerWaalsContact O-CB 3.28Å; L2064-A2068 WeakPolarHBondContact O-CB 3.33Å; L2064-A2068 PolarHBondContact O-N 3.1Å; L2064-L2083 HydrophobicContact CD2-CD2 3.94Å; L2064-L2083 HydrophobicContact CG-CD2 4.49Å; L2064-K2150 HydrophobicContact CD1-CG 4.05Å; L2064-L2151 HydrophobicContact CD1-CB 4.26Å; L2064-L2151 HydrophobicContact CD1-CD1 3.88Å; L2064-L2151 HydrophobicContact CD2-CD1 3.98Å; L2064-L2151 HydrophobicContact CG-CD1 4.41Å; L2064-T2154 HydrophobicContact CB-CG2 4.31Å; L2064-T2154 WeakPolarHBondContact CD1-OG1 3.43Å; L2064-W2156 HydrophobicContact CD2-CB 3.65Å; L2064-W2156 VanDerWaalsContact CD2-CB 3.48Å; L2064-W2156 VanDerWaalsContact CD2-CD1 3.45Å; L2064-W2156 HydrophobicContact CD2-CD2 3.82Å; L2064-W2156 HydrophobicContact CD2-CE3 4.5Å; L2064-W2156 HydrophobicContact CD2-CG 3.34Å; L2064-W2156 VanDerWaalsContact CD2-CG 3.42Å |
| 2065 | T | 84.2 | Confident | 82.9 | Confident | 66.2 Ų | 66.2 | 45.8 Ų | 45.8 | 41% | 0.406 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -65.2 | -39.7 | 176.8 | -54.9 | 0 | 0 | 0 | 0 | 111.5 | D2061 L2062 L2063 A2068 R2069 | D2061-T2065 WeakPolarHBondContact O-CB 3.36Å; D2061-T2065 PolarHBondContact O-N 3.17Å; D2061-T2065 VanDerWaalsContact O-N 3.1Å; D2061-T2065 PolarHBondContact O-OG1 3.13Å; L2062-T2065 WeakPolarHBondContact O-CB 3.37Å; L2062-T2065 PolarHBondContact O-N 3Å; L2062-T2065 VanDerWaalsContact O-N 3.16Å; L2063-T2065 VanDerWaalsContact C-N 3.3Å; L2063-T2065 PolarHBondContact O-N 3.22Å; T2065-A2068 PolarHBondContact O-N 3.12Å; T2065-R2069 WeakPolarHBondContact O-CB 3.33Å; T2065-R2069 VanDerWaalsContact O-CG 3.32Å; T2065-R2069 WeakPolarHBondContact O-CG 3.39Å; T2065-R2069 PolarHBondContact O-N 3.26Å; T2065-R2069 VanDerWaalsContact O-N 3.14Å |
| 2066 | C | 84 | Confident | 82.5 | Confident | 4.8 Ų | 4.8 | 44.4 Ų | 44.4 | 3% | 0.032 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -66.6 | -46.7 | 175.6 | -68 | 0 | 0 | 0 | 0 | 111.7 | F1932 Q1936 L2062 L2063 L2064 A2068 R2069 L2070 | F1932-C2066 HydrophobicContact CE1-CB 4.06Å; F1932-C2066 HydrophobicContact CZ-CB 4.41Å; Q1936-C2066 HydrophobicContact CB-CB 4.29Å; L2062-C2066 PolarHBondContact O-N 3.03Å; L2062-C2066 PolarHBondContact O-SG 3Å; L2062-C2066 VanDerWaalsContact O-SG 3.42Å; L2063-C2066 PolarHBondContact O-N 2.91Å; L2063-C2066 VanDerWaalsContact O-N 3.15Å; L2064-C2066 VanDerWaalsContact C-N 3.34Å; L2064-C2066 PolarHBondContact O-N 3.13Å; C2066-A2068 PolarHBondContact O-N 3.26Å; C2066-R2069 PolarHBondContact O-N 3.08Å; C2066-R2069 VanDerWaalsContact O-N 3.09Å; C2066-L2070 PolarHBondContact O-N 3.09Å |
| 2067 | I | 84 | Confident | 82.3 | Confident | 2 Ų | 2 | 44.6 Ų | 44.6 | 1% | 0.01 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -60.2 | -46.1 | 178.2 | -69.3 | 169.1 | 0 | 0 | 0 | 110.6 | F1932 L2063 L2064 R2069 L2070 M2079 A2080 L2083 W2156 L2171 | F1932-I2067 HydrophobicContact CE1-CG1 4Å; F1932-I2067 HydrophobicContact CZ-CG1 4.28Å; L2063-I2067 HydrophobicContact CD2-CD1 3.6Å; L2063-I2067 HydrophobicContact CD2-CG1 4.36Å; L2063-I2067 WeakPolarHBondContact O-CB 3.33Å; L2063-I2067 VanDerWaalsContact O-CG1 3.27Å; L2063-I2067 WeakPolarHBondContact O-CG1 3.36Å; L2063-I2067 PolarHBondContact O-N 3.31Å; L2064-I2067 PolarHBondContact O-N 3.18Å; I2067-R2069 VanDerWaalsContact C-N 3.3Å; I2067-R2069 PolarHBondContact O-N 2.88Å; I2067-L2070 WeakPolarHBondContact O-CB 3.45Å; I2067-L2070 PolarHBondContact O-N 3.16Å; I2067-M2079 HydrophobicContact CD1-CB 4.32Å; I2067-M2079 HydrophobicContact CG1-CB 4.34Å; I2067-A2080 HydrophobicContact CG2-CB 4.47Å; I2067-L2083 HydrophobicContact CD1-CD2 4.07Å; I2067-W2156 HydrophobicContact CG2-CB 4.25Å; I2067-L2171 HydrophobicContact CG2-CD1 3.63Å |
| 2068 | A | 80.6 | Confident | 82 | Confident | 59 Ų | 59 | 48.5 Ų | 48.5 | 49% | 0.488 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -66 | -23.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | L2064 T2065 C2066 | L2064-A2068 VanDerWaalsContact O-CB 3.28Å; L2064-A2068 WeakPolarHBondContact O-CB 3.33Å; L2064-A2068 PolarHBondContact O-N 3.1Å; T2065-A2068 PolarHBondContact O-N 3.12Å; C2066-A2068 PolarHBondContact O-N 3.26Å |
| 2069 | R | 80.4 | Confident | 82.1 | Confident | 94.6 Ų | 94.6 | 48.4 Ų | 48.4 | 36% | 0.357 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -87.2 | -14.5 | 178.6 | -156.8 | 172.5 | 57.8 | -161.2 | 1.7 | 113.4 | Q1936 N1938 D1941 T2065 C2066 I2067 Q2071 | Q1936-R2069 PolarHBondContact O-NH2 3.12Å; N1938-R2069 VanDerWaalsContact CG-CZ 3.48Å; N1938-R2069 VanDerWaalsContact CG-NH1 3.32Å; N1938-R2069 VanDerWaalsContact CG-NH2 3.28Å; N1938-R2069 VanDerWaalsContact ND2-CZ 3.27Å; N1938-R2069 PolarHBondContact ND2-NH1 2.97Å; N1938-R2069 PolarHBondContact ND2-NH2 3.16Å; N1938-R2069 PolarHBondContact OD1-NH2 3.15Å; N1938-R2069 VanDerWaalsContact OD1-NH2 3.1Å; D1941-R2069 IonicContact OD1-CZ 3.58Å; D1941-R2069 IonicContact OD1-NH1 3.66Å; D1941-R2069 PolarHBondContact OD1-NH1 3.32Å; D1941-R2069 IonicContact OD1-NH2 3.28Å; D1941-R2069 IonicContact OD2-CZ 3.6Å; D1941-R2069 IonicContact OD2-NH1 2.87Å; D1941-R2069 PolarHBondContact OD2-NH1 2.95Å; D1941-R2069 IonicContact OD2-NH2 2.75Å; D1941-R2069 PolarHBondContact OD2-NH2 2.98Å; T2065-R2069 WeakPolarHBondContact O-CB 3.33Å; T2065-R2069 VanDerWaalsContact O-CG 3.32Å; T2065-R2069 WeakPolarHBondContact O-CG 3.39Å; T2065-R2069 PolarHBondContact O-N 3.26Å; T2065-R2069 VanDerWaalsContact O-N 3.14Å; C2066-R2069 PolarHBondContact O-N 3.08Å; C2066-R2069 VanDerWaalsContact O-N 3.09Å; I2067-R2069 VanDerWaalsContact C-N 3.3Å; I2067-R2069 PolarHBondContact O-N 2.88Å; R2069-Q2071 PolarHBondContact O-N 3.02Å |
| 2070 | L | 79.5 | Confident | 82.2 | Confident | 33.2 Ų | 33.2 | 48.4 Ų | 48.4 | 17% | 0.174 | 25% | 0.245 | C | C | . | . | trans | -63.8 | 129.9 | -175 | -88.5 | 161 | 0 | 0 | 0 | 111.9 | F1932 Q1936 C2066 I2067 D2072 I2075 G2076 | F1932-L2070 HydrophobicContact CE2-CD1 3.77Å; F1932-L2070 HydrophobicContact CE2-CD2 3.98Å; F1932-L2070 HydrophobicContact CE2-CG 4.37Å; F1932-L2070 HydrophobicContact CZ-CD1 3.67Å; F1932-L2070 HydrophobicContact CZ-CD2 4.13Å; F1932-L2070 HydrophobicContact CZ-CG 4.05Å; Q1936-L2070 HydrophobicContact CG-CD1 3.83Å; Q1936-L2070 HydrophobicContact CG-CD2 4.32Å; Q1936-L2070 VanDerWaalsContact OE1-CD1 3.25Å; C2066-L2070 PolarHBondContact O-N 3.09Å; I2067-L2070 WeakPolarHBondContact O-CB 3.45Å; I2067-L2070 PolarHBondContact O-N 3.16Å; L2070-D2072 VanDerWaalsContact CD2-O 3.27Å; L2070-D2072 WeakPolarHBondContact CD2-O 3.47Å; L2070-I2075 HydrophobicContact CD1-CB 4.42Å; L2070-I2075 HydrophobicContact CD1-CG2 4.2Å; L2070-I2075 HydrophobicContact CD2-CB 3.87Å; L2070-I2075 HydrophobicContact CD2-CG2 3.82Å; L2070-G2076 VanDerWaalsContact CD1-CA 3.44Å; L2070-G2076 VanDerWaalsContact CD2-N 3.28Å | ||
| 2071 | Q | 69.6 | Low | 82.1 | Confident | 194.2 Ų | 194.2 | 50.3 Ų | 50.3 | 91% | 0.907 | 25% | 0.254 | S | S | * | . | S | Bend | trans | -77.3 | -32.8 | 171.2 | -65.4 | -173.7 | -5.3 | 0 | 0 | 111.9 | R2069 K2073 | R2069-Q2071 PolarHBondContact O-N 3.02Å; Q2071-K2073 PolarHBondContact O-N 3.37Å; Q2071-K2073 VanDerWaalsContact O-N 3.1Å |
| 2072 | D | 75.7 | Confident | 82.2 | Confident | 74.8 Ų | 74.8 | 51.1 Ų | 51.1 | 40% | 0.4 | 26% | 0.255 | S | S | . | . | trans | -80.9 | 103.8 | 177.1 | -168.7 | -19.4 | 0 | 0 | 0 | 110.9 | L2070 L2074 I2075 G2076 | L2070-D2072 VanDerWaalsContact CD2-O 3.27Å; L2070-D2072 WeakPolarHBondContact CD2-O 3.47Å; D2072-L2074 VanDerWaalsContact C-N 3.26Å; D2072-L2074 PolarHBondContact O-N 3.11Å; D2072-L2074 WeakPolarHBondContact OD1-CB 3.37Å; D2072-L2074 PolarHBondContact OD1-N 3.06Å; D2072-I2075 HydrophobicContact CB-CB 4.32Å; D2072-I2075 HydrophobicContact CB-CD1 4.08Å; D2072-I2075 HydrophobicContact CB-CG1 4.27Å; D2072-I2075 PolarHBondContact O-N 3.02Å; D2072-I2075 PolarHBondContact OD1-N 3.41Å; D2072-I2075 VanDerWaalsContact OD2-CD1 3.26Å; D2072-I2075 WeakPolarHBondContact OD2-CD1 3.23Å; D2072-I2075 WeakPolarHBondContact OD2-CG1 3.32Å; D2072-G2076 PolarHBondContact O-N 3.06Å | ||
| 2073 | K | 75.4 | Confident | 82.4 | Confident | 107.2 Ų | 107.2 | 49.6 Ų | 49.6 | 47% | 0.466 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -63.8 | -25.7 | 179.2 | -66.9 | -178.2 | 172.2 | -170.8 | 0 | 113.4 | Q2071 K2077 S2167 S2168 N2169 | Q2071-K2073 PolarHBondContact O-N 3.37Å; Q2071-K2073 VanDerWaalsContact O-N 3.1Å; K2073-K2077 WeakPolarHBondContact O-CB 3.41Å; K2073-K2077 PolarHBondContact O-N 3.02Å; K2073-K2077 VanDerWaalsContact O-N 3.13Å; K2073-S2167 PolarHBondContact NZ-OG 3.45Å; K2073-S2167 VanDerWaalsContact NZ-OG 3.1Å; K2073-S2168 PolarHBondContact NZ-OG 3.17Å; K2073-N2169 HydrophobicContact CB-CB 3.99Å; K2073-N2169 WeakPolarHBondContact CB-O 3.13Å; K2073-N2169 WeakPolarHBondContact CD-O 3.45Å |
| 2074 | L | 79.2 | Confident | 82.4 | Confident | 111.8 Ų | 111.8 | 49.6 Ų | 49.6 | 59% | 0.585 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -75.4 | -48.9 | -179.9 | -87.1 | 164.3 | 0 | 0 | 0 | 110.9 | D2072 G2076 K2077 E2078 N2169 | D2072-L2074 VanDerWaalsContact C-N 3.26Å; D2072-L2074 PolarHBondContact O-N 3.11Å; D2072-L2074 WeakPolarHBondContact OD1-CB 3.37Å; D2072-L2074 PolarHBondContact OD1-N 3.06Å; L2074-G2076 VanDerWaalsContact C-N 3.29Å; L2074-G2076 PolarHBondContact O-N 3.14Å; L2074-K2077 WeakPolarHBondContact O-CB 3.48Å; L2074-K2077 PolarHBondContact O-N 3.14Å; L2074-E2078 PolarHBondContact O-N 3.14Å; L2074-N2169 VanDerWaalsContact CD2-ND2 3.28Å; L2074-N2169 WeakPolarHBondContact CD2-ND2 3.4Å |
| 2075 | I | 81.6 | Confident | 82.3 | Confident | 64.8 Ų | 64.8 | 49.8 Ų | 49.8 | 33% | 0.332 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -62 | -41.8 | 175.5 | -60.9 | 173.5 | 0 | 0 | 0 | 109.9 | F1932 L2070 D2072 K2077 E2078 M2079 | F1932-I2075 HydrophobicContact CD2-CG2 4.33Å; F1932-I2075 HydrophobicContact CE2-CG2 4.15Å; L2070-I2075 HydrophobicContact CD1-CB 4.42Å; L2070-I2075 HydrophobicContact CD1-CG2 4.2Å; L2070-I2075 HydrophobicContact CD2-CB 3.87Å; L2070-I2075 HydrophobicContact CD2-CG2 3.82Å; D2072-I2075 HydrophobicContact CB-CB 4.32Å; D2072-I2075 HydrophobicContact CB-CD1 4.08Å; D2072-I2075 HydrophobicContact CB-CG1 4.27Å; D2072-I2075 PolarHBondContact O-N 3.02Å; D2072-I2075 PolarHBondContact OD1-N 3.41Å; D2072-I2075 VanDerWaalsContact OD2-CD1 3.26Å; D2072-I2075 WeakPolarHBondContact OD2-CD1 3.23Å; D2072-I2075 WeakPolarHBondContact OD2-CG1 3.32Å; I2075-K2077 VanDerWaalsContact C-N 3.32Å; I2075-K2077 PolarHBondContact O-N 3.16Å; I2075-E2078 WeakPolarHBondContact O-CB 3.11Å; I2075-E2078 PolarHBondContact O-N 3.23Å; I2075-E2078 VanDerWaalsContact O-N 3.16Å; I2075-M2079 HydrophobicContact CG2-CE 4.38Å; I2075-M2079 HydrophobicContact CG2-CG 4.25Å; I2075-M2079 VanDerWaalsContact O-CG 3.31Å; I2075-M2079 WeakPolarHBondContact O-CG 3.4Å; I2075-M2079 PolarHBondContact O-N 3.04Å |
| 2076 | G | 81.3 | Confident | 82.3 | Confident | 0.6 Ų | 0.6 | 46.8 Ų | 46.8 | 1% | 0.006 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -59.9 | -43.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113 | L2070 D2072 L2074 A2080 | L2070-G2076 VanDerWaalsContact CD1-CA 3.44Å; L2070-G2076 VanDerWaalsContact CD2-N 3.28Å; D2072-G2076 PolarHBondContact O-N 3.06Å; L2074-G2076 VanDerWaalsContact C-N 3.29Å; L2074-G2076 PolarHBondContact O-N 3.14Å; G2076-A2080 VanDerWaalsContact O-CB 3.25Å; G2076-A2080 WeakPolarHBondContact O-CB 3.4Å; G2076-A2080 PolarHBondContact O-N 3.13Å |
| 2077 | K | 82.4 | Confident | 82.4 | Confident | 38.4 Ų | 38.4 | 46.5 Ų | 46.5 | 17% | 0.167 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -61.1 | -48.8 | 173.5 | 175.4 | 172.1 | -179.4 | 173.5 | 0 | 111.8 | K2073 L2074 I2075 M2079 A2080 E2081 P2158 S2168 N2169 L2171 S2208 | K2073-K2077 WeakPolarHBondContact O-CB 3.41Å; K2073-K2077 PolarHBondContact O-N 3.02Å; K2073-K2077 VanDerWaalsContact O-N 3.13Å; L2074-K2077 WeakPolarHBondContact O-CB 3.48Å; L2074-K2077 PolarHBondContact O-N 3.14Å; I2075-K2077 VanDerWaalsContact C-N 3.32Å; I2075-K2077 PolarHBondContact O-N 3.16Å; K2077-M2079 VanDerWaalsContact C-N 3.35Å; K2077-M2079 PolarHBondContact O-N 3.08Å; K2077-A2080 WeakPolarHBondContact O-CB 3.44Å; K2077-A2080 PolarHBondContact O-N 3.25Å; K2077-E2081 VanDerWaalsContact CE-OE1 3.22Å; K2077-E2081 WeakPolarHBondContact CE-OE1 3.36Å; K2077-E2081 HydrophobicContact CG-CG 4.42Å; K2077-E2081 WeakPolarHBondContact CG-OE1 3.4Å; K2077-E2081 IonicContact NZ-OE1 3.38Å; K2077-E2081 WeakPolarHBondContact O-CG 3.34Å; K2077-E2081 PolarHBondContact O-N 3.19Å; K2077-P2158 HydrophobicContact CB-CB 4.46Å; K2077-P2158 HydrophobicContact CD-CB 4.32Å; K2077-P2158 HydrophobicContact CG-CB 3.91Å; K2077-S2168 PolarHBondContact NZ-O 2.79Å; K2077-N2169 HydrophobicContact CB-CB 4.39Å; K2077-N2169 HydrophobicContact CD-CB 4.06Å; K2077-N2169 VanDerWaalsContact CD-CG 3.43Å; K2077-N2169 WeakPolarHBondContact CD-OD1 3.35Å; K2077-N2169 PolarHBondContact NZ-OD1 3.2Å; K2077-N2169 VanDerWaalsContact NZ-OD1 3.13Å; K2077-L2171 HydrophobicContact CB-CD2 4.44Å; K2077-S2208 PolarHBondContact NZ-OG 2.99Å |
| 2078 | E | 83.9 | Confident | 82.4 | Confident | 83.2 Ų | 83.2 | 46.7 Ų | 46.7 | 39% | 0.389 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -61.2 | -44.4 | -177.8 | -156.8 | -164.8 | 174.7 | 0 | 0 | 111.6 | L2074 I2075 A2080 E2081 R2082 | L2074-E2078 PolarHBondContact O-N 3.14Å; I2075-E2078 WeakPolarHBondContact O-CB 3.11Å; I2075-E2078 PolarHBondContact O-N 3.23Å; I2075-E2078 VanDerWaalsContact O-N 3.16Å; E2078-A2080 PolarHBondContact O-N 3.19Å; E2078-E2081 PolarHBondContact O-N 3.23Å; E2078-R2082 VanDerWaalsContact CD-CZ 3.45Å; E2078-R2082 VanDerWaalsContact CG-NH1 3.28Å; E2078-R2082 VanDerWaalsContact O-CG 3.3Å; E2078-R2082 WeakPolarHBondContact O-CG 3.41Å; E2078-R2082 PolarHBondContact O-N 3.18Å; E2078-R2082 VanDerWaalsContact O-N 3.08Å; E2078-R2082 IonicContact OE1-CZ 3.26Å; E2078-R2082 IonicContact OE1-NH1 3.2Å; E2078-R2082 PolarHBondContact OE1-NH1 3.1Å; E2078-R2082 IonicContact OE1-NH2 3.37Å; E2078-R2082 PolarHBondContact OE1-NH2 3.01Å; E2078-R2082 IonicContact OE2-CZ 3.62Å; E2078-R2082 IonicContact OE2-NH1 3.33Å; E2078-R2082 PolarHBondContact OE2-NH1 3.13Å; E2078-R2082 IonicContact OE2-NH2 2.87Å; E2078-R2082 PolarHBondContact OE2-NH2 3.25Å |
| 2079 | M | 86 | Confident | 82.4 | Confident | 22 Ų | 22 | 46.3 Ų | 46.3 | 11% | 0.108 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -68.1 | -36.2 | 177.1 | -63.8 | -57.9 | 169.4 | 0 | 0 | 112.4 | L1929 F1932 I2067 I2075 K2077 R2082 L2083 | L1929-M2079 HydrophobicContact CD2-CB 4.16Å; L1929-M2079 HydrophobicContact CD2-CG 4.47Å; L1929-M2079 WeakPolarHBondContact CD2-O 3.34Å; L1929-M2079 HydrophobicContact CD2-SD 3.97Å; F1932-M2079 HydrophobicContact CB-CE 3.91Å; F1932-M2079 HydrophobicContact CB-CG 4.32Å; F1932-M2079 HydrophobicContact CB-SD 3.93Å; F1932-M2079 HydrophobicContact CD1-CB 4.39Å; F1932-M2079 HydrophobicContact CD1-CG 4.1Å; F1932-M2079 HydrophobicContact CD1-SD 4.38Å; F1932-M2079 HydrophobicContact CD2-CE 3.86Å; F1932-M2079 HydrophobicContact CD2-CG 3.8Å; F1932-M2079 HydrophobicContact CD2-SD 4.16Å; F1932-M2079 HydrophobicContact CE1-CB 4.44Å; F1932-M2079 HydrophobicContact CE1-CG 4.26Å; F1932-M2079 HydrophobicContact CE2-CE 4.49Å; F1932-M2079 HydrophobicContact CE2-CG 3.94Å; F1932-M2079 HydrophobicContact CG-CE 4.03Å; F1932-M2079 HydrophobicContact CG-CG 3.87Å; F1932-M2079 HydrophobicContact CG-SD 3.88Å; F1932-M2079 HydrophobicContact CZ-CB 4.49Å; F1932-M2079 HydrophobicContact CZ-CG 4.19Å; I2067-M2079 HydrophobicContact CD1-CB 4.32Å; I2067-M2079 HydrophobicContact CG1-CB 4.34Å; I2075-M2079 HydrophobicContact CG2-CE 4.38Å; I2075-M2079 HydrophobicContact CG2-CG 4.25Å; I2075-M2079 VanDerWaalsContact O-CG 3.31Å; I2075-M2079 WeakPolarHBondContact O-CG 3.4Å; I2075-M2079 PolarHBondContact O-N 3.04Å; K2077-M2079 VanDerWaalsContact C-N 3.35Å; K2077-M2079 PolarHBondContact O-N 3.08Å; M2079-R2082 VanDerWaalsContact CE-NH1 3.35Å; M2079-R2082 PolarHBondContact O-N 3.15Å; M2079-R2082 PolarHBondContact SD-NH1 3.05Å; M2079-R2082 VanDerWaalsContact SD-NH1 3.42Å; M2079-L2083 WeakPolarHBondContact O-CB 3.39Å; M2079-L2083 PolarHBondContact O-N 3.19Å |
| 2080 | A | 87 | Confident | 82.5 | Confident | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -65.6 | -39.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | I2067 G2076 K2077 E2078 R2082 L2083 S2084 W2156 P2158 L2171 | I2067-A2080 HydrophobicContact CG2-CB 4.47Å; G2076-A2080 VanDerWaalsContact O-CB 3.25Å; G2076-A2080 WeakPolarHBondContact O-CB 3.4Å; G2076-A2080 PolarHBondContact O-N 3.13Å; K2077-A2080 WeakPolarHBondContact O-CB 3.44Å; K2077-A2080 PolarHBondContact O-N 3.25Å; E2078-A2080 PolarHBondContact O-N 3.19Å; A2080-R2082 VanDerWaalsContact C-N 3.35Å; A2080-L2083 PolarHBondContact O-N 3.27Å; A2080-S2084 VanDerWaalsContact O-CB 3.26Å; A2080-S2084 WeakPolarHBondContact O-CB 3.35Å; A2080-S2084 PolarHBondContact O-N 3.28Å; A2080-S2084 PolarHBondContact O-OG 3.19Å; A2080-W2156 HydrophobicContact CB-CE3 4.22Å; A2080-W2156 WeakPolarHBondContact CB-O 3.3Å; A2080-P2158 HydrophobicContact CB-CG 4.33Å; A2080-L2171 HydrophobicContact CB-CD1 4.48Å; A2080-L2171 HydrophobicContact CB-CD2 4.19Å |
| 2081 | E | 85.9 | Confident | 82.8 | Confident | 40.6 Ų | 40.6 | 42.2 Ų | 42.2 | 19% | 0.19 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -61.1 | -45.6 | 173.2 | -73.3 | 178 | -174.7 | 0 | 0 | 110.7 | K2077 E2078 L2083 S2084 C2085 P2158 G2210 | K2077-E2081 VanDerWaalsContact CE-OE1 3.22Å; K2077-E2081 WeakPolarHBondContact CE-OE1 3.36Å; K2077-E2081 HydrophobicContact CG-CG 4.42Å; K2077-E2081 WeakPolarHBondContact CG-OE1 3.4Å; K2077-E2081 IonicContact NZ-OE1 3.38Å; K2077-E2081 WeakPolarHBondContact O-CG 3.34Å; K2077-E2081 PolarHBondContact O-N 3.19Å; E2078-E2081 PolarHBondContact O-N 3.23Å; E2081-L2083 PolarHBondContact O-N 3.13Å; E2081-S2084 WeakPolarHBondContact O-CB 3.5Å; E2081-S2084 PolarHBondContact O-N 2.87Å; E2081-S2084 PolarHBondContact O-OG 3.34Å; E2081-C2085 PolarHBondContact O-N 3.16Å; E2081-C2085 PolarHBondContact O-SG 3.11Å; E2081-P2158 HydrophobicContact CG-CB 4.13Å; E2081-P2158 HydrophobicContact CG-CG 4.04Å; E2081-G2210 VanDerWaalsContact CD-CA 3.44Å; E2081-G2210 VanDerWaalsContact OE2-CA 3.25Å; E2081-G2210 WeakPolarHBondContact OE2-CA 3.24Å |
| 2082 | R | 86.7 | Confident | 83.3 | Confident | 42.6 Ų | 42.6 | 37 Ų | 37 | 16% | 0.161 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -59.9 | -46.5 | 175.2 | -67 | -172.6 | 175.9 | 94.5 | 6.5 | 112.7 | L1925 L1929 E2078 M2079 A2080 S2084 C2085 L2086 | L1925-R2082 HydrophobicContact CD2-CB 4.25Å; L1925-R2082 HydrophobicContact CD2-CG 3.78Å; L1929-R2082 HydrophobicContact CD1-CB 4.27Å; L1929-R2082 HydrophobicContact CD2-CB 4.03Å; L1929-R2082 HydrophobicContact CG-CB 4.12Å; E2078-R2082 VanDerWaalsContact CD-CZ 3.45Å; E2078-R2082 VanDerWaalsContact CG-NH1 3.28Å; E2078-R2082 VanDerWaalsContact O-CG 3.3Å; E2078-R2082 WeakPolarHBondContact O-CG 3.41Å; E2078-R2082 PolarHBondContact O-N 3.18Å; E2078-R2082 VanDerWaalsContact O-N 3.08Å; E2078-R2082 IonicContact OE1-CZ 3.26Å; E2078-R2082 IonicContact OE1-NH1 3.2Å; E2078-R2082 PolarHBondContact OE1-NH1 3.1Å; E2078-R2082 IonicContact OE1-NH2 3.37Å; E2078-R2082 PolarHBondContact OE1-NH2 3.01Å; E2078-R2082 IonicContact OE2-CZ 3.62Å; E2078-R2082 IonicContact OE2-NH1 3.33Å; E2078-R2082 PolarHBondContact OE2-NH1 3.13Å; E2078-R2082 IonicContact OE2-NH2 2.87Å; E2078-R2082 PolarHBondContact OE2-NH2 3.25Å; M2079-R2082 VanDerWaalsContact CE-NH1 3.35Å; M2079-R2082 PolarHBondContact O-N 3.15Å; M2079-R2082 PolarHBondContact SD-NH1 3.05Å; M2079-R2082 VanDerWaalsContact SD-NH1 3.42Å; A2080-R2082 VanDerWaalsContact C-N 3.35Å; R2082-S2084 VanDerWaalsContact C-N 3.31Å; R2082-S2084 PolarHBondContact O-N 3.11Å; R2082-C2085 WeakPolarHBondContact O-CB 3.35Å; R2082-C2085 PolarHBondContact O-N 3.4Å; R2082-L2086 PolarHBondContact O-N 3.17Å; R2082-L2086 VanDerWaalsContact O-N 3.12Å |
| 2083 | L | 88.2 | Confident | 83.6 | Confident | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -61.1 | -42.2 | 176.3 | 177.8 | 61.7 | 0 | 0 | 0 | 111 | L1929 L1977 L2063 L2064 I2067 M2079 A2080 E2081 C2085 L2086 L2087 W2156 | L1929-L2083 HydrophobicContact CD1-CB 4.26Å; L1929-L2083 HydrophobicContact CD1-CD1 4.44Å; L1929-L2083 HydrophobicContact CD2-CB 4.49Å; L1977-L2083 HydrophobicContact CD2-CD1 3.82Å; L2063-L2083 HydrophobicContact CD1-CD1 4.15Å; L2063-L2083 HydrophobicContact CD2-CB 4.4Å; L2063-L2083 HydrophobicContact CD2-CD1 4.03Å; L2063-L2083 HydrophobicContact CD2-CD2 3.67Å; L2063-L2083 HydrophobicContact CD2-CG 4.24Å; L2064-L2083 HydrophobicContact CD2-CD2 3.94Å; L2064-L2083 HydrophobicContact CG-CD2 4.49Å; I2067-L2083 HydrophobicContact CD1-CD2 4.07Å; M2079-L2083 WeakPolarHBondContact O-CB 3.39Å; M2079-L2083 PolarHBondContact O-N 3.19Å; A2080-L2083 PolarHBondContact O-N 3.27Å; E2081-L2083 PolarHBondContact O-N 3.13Å; L2083-C2085 VanDerWaalsContact C-N 3.32Å; L2083-C2085 PolarHBondContact O-N 3.18Å; L2083-L2086 PolarHBondContact O-N 3.12Å; L2083-L2087 HydrophobicContact CD1-CD1 4.1Å; L2083-L2087 HydrophobicContact CD1-CG 4.17Å; L2083-L2087 HydrophobicContact CD2-CD1 4.43Å; L2083-L2087 HydrophobicContact CG-CD1 4.04Å; L2083-L2087 HydrophobicContact CG-CG 4.43Å; L2083-L2087 WeakPolarHBondContact O-CG 3.42Å; L2083-L2087 PolarHBondContact O-N 3.24Å; L2083-W2156 HydrophobicContact CB-CZ3 4.35Å; L2083-W2156 HydrophobicContact CD2-CD2 4.43Å; L2083-W2156 HydrophobicContact CD2-CE3 3.95Å; L2083-W2156 HydrophobicContact CD2-CH2 4.39Å; L2083-W2156 HydrophobicContact CD2-CZ3 4.07Å; L2083-W2156 HydrophobicContact CG-CE3 4.45Å; L2083-W2156 HydrophobicContact CG-CH2 4.49Å; L2083-W2156 HydrophobicContact CG-CZ3 4.13Å |
| 2084 | S | 86.7 | Confident | 84 | Confident | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -61.7 | -40.2 | 177.9 | 67.5 | 0 | 0 | 0 | 0 | 112 | A2080 E2081 R2082 L2087 H2088 W2156 I2213 | A2080-S2084 VanDerWaalsContact O-CB 3.26Å; A2080-S2084 WeakPolarHBondContact O-CB 3.35Å; A2080-S2084 PolarHBondContact O-N 3.28Å; A2080-S2084 PolarHBondContact O-OG 3.19Å; E2081-S2084 WeakPolarHBondContact O-CB 3.5Å; E2081-S2084 PolarHBondContact O-N 2.87Å; E2081-S2084 PolarHBondContact O-OG 3.34Å; R2082-S2084 VanDerWaalsContact C-N 3.31Å; R2082-S2084 PolarHBondContact O-N 3.11Å; S2084-L2087 PolarHBondContact O-N 3.01Å; S2084-H2088 WeakPolarHBondContact O-CB 3.36Å; S2084-H2088 PolarHBondContact O-N 2.93Å; S2084-W2156 WeakPolarHBondContact OG-CZ3 3.4Å; S2084-I2213 WeakPolarHBondContact OG-CD1 3.32Å |
| 2085 | C | 85.7 | Confident | 84.1 | Confident | 5.6 Ų | 5.6 | 29.6 Ų | 29.6 | 4% | 0.038 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -61.7 | -47.6 | 176.1 | -77.8 | 0 | 0 | 0 | 0 | 111.3 | L1925 E2081 R2082 L2083 L2087 H2088 D2089 Y2212 | L1925-C2085 HydrophobicContact CD1-CB 4.02Å; E2081-C2085 PolarHBondContact O-N 3.16Å; E2081-C2085 PolarHBondContact O-SG 3.11Å; R2082-C2085 WeakPolarHBondContact O-CB 3.35Å; R2082-C2085 PolarHBondContact O-N 3.4Å; L2083-C2085 VanDerWaalsContact C-N 3.32Å; L2083-C2085 PolarHBondContact O-N 3.18Å; C2085-L2087 VanDerWaalsContact C-N 3.33Å; C2085-L2087 PolarHBondContact O-N 2.97Å; C2085-H2088 PolarHBondContact O-N 3.15Å; C2085-D2089 WeakPolarHBondContact O-CB 3.21Å; C2085-D2089 PolarHBondContact O-N 3.16Å; C2085-Y2212 HydrophobicContact CB-CD1 3.96Å; C2085-Y2212 HydrophobicContact CB-CE1 4.34Å; C2085-Y2212 VanDerWaalsContact SG-CD1 3.6Å |
| 2086 | L | 84.3 | Confident | 84.1 | Confident | 2.6 Ų | 2.6 | 30.9 Ų | 30.9 | 1% | 0.014 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -63.5 | -39.7 | 179.7 | -70.3 | 179 | 0 | 0 | 0 | 112.9 | M1922 L1925 E1926 L1929 L1977 R2082 L2083 N2090 | M1922-L2086 HydrophobicContact CB-CD2 4.31Å; M1922-L2086 HydrophobicContact CE-CD2 3.74Å; M1922-L2086 WeakPolarHBondContact O-CD2 3.45Å; M1922-L2086 HydrophobicContact SD-CD2 4.06Å; L1925-L2086 HydrophobicContact CB-CD1 4.24Å; L1925-L2086 HydrophobicContact CB-CD2 3.96Å; L1925-L2086 HydrophobicContact CB-CG 4.14Å; L1925-L2086 HydrophobicContact CD1-CD2 4.35Å; L1925-L2086 HydrophobicContact CD1-CG 4.33Å; E1926-L2086 HydrophobicContact CB-CD1 4.16Å; E1926-L2086 HydrophobicContact CG-CD1 4.33Å; L1929-L2086 HydrophobicContact CD1-CD1 3.5Å; L1929-L2086 VanDerWaalsContact CD1-CD1 3.44Å; L1929-L2086 HydrophobicContact CD1-CG 4.38Å; L1977-L2086 HydrophobicContact CD1-CB 3.91Å; L1977-L2086 HydrophobicContact CD1-CD1 4.1Å; L1977-L2086 HydrophobicContact CD1-CG 4.38Å; L1977-L2086 HydrophobicContact CD2-CB 4.42Å; L1977-L2086 HydrophobicContact CD2-CD1 4.39Å; R2082-L2086 PolarHBondContact O-N 3.17Å; R2082-L2086 VanDerWaalsContact O-N 3.12Å; L2083-L2086 PolarHBondContact O-N 3.12Å; L2086-N2090 WeakPolarHBondContact O-CB 3.36Å; L2086-N2090 PolarHBondContact O-N 3.04Å; L2086-N2090 PolarHBondContact O-ND2 3.12Å |
| 2087 | L | 86.2 | Confident | 84.2 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -72.8 | -41.3 | 177.4 | -68.1 | 175.9 | 0 | 0 | 0 | 112.1 | I2060 L2083 S2084 C2085 D2089 N2090 W2091 Y2094 L2151 W2156 F2222 | I2060-L2087 HydrophobicContact CD1-CD2 3.95Å; L2083-L2087 HydrophobicContact CD1-CD1 4.1Å; L2083-L2087 HydrophobicContact CD1-CG 4.17Å; L2083-L2087 HydrophobicContact CD2-CD1 4.43Å; L2083-L2087 HydrophobicContact CG-CD1 4.04Å; L2083-L2087 HydrophobicContact CG-CG 4.43Å; L2083-L2087 WeakPolarHBondContact O-CG 3.42Å; L2083-L2087 PolarHBondContact O-N 3.24Å; S2084-L2087 PolarHBondContact O-N 3.01Å; C2085-L2087 VanDerWaalsContact C-N 3.33Å; C2085-L2087 PolarHBondContact O-N 2.97Å; L2087-D2089 PolarHBondContact O-N 3.46Å; L2087-N2090 PolarHBondContact O-N 3.3Å; L2087-W2091 HydrophobicContact CB-CE3 4.38Å; L2087-W2091 HydrophobicContact CB-CZ3 4.32Å; L2087-W2091 WeakPolarHBondContact O-CA 3.23Å; L2087-W2091 WeakPolarHBondContact O-CB 3.25Å; L2087-W2091 PolarHBondContact O-N 3.04Å; L2087-W2091 VanDerWaalsContact O-N 3.1Å; L2087-Y2094 HydrophobicContact CD2-CD2 4.24Å; L2087-Y2094 HydrophobicContact CD2-CE1 4.49Å; L2087-Y2094 HydrophobicContact CD2-CE2 4.06Å; L2087-L2151 HydrophobicContact CD1-CD1 3.87Å; L2087-L2151 HydrophobicContact CD1-CD2 4.14Å; L2087-W2156 HydrophobicContact CD1-CH2 4.18Å; L2087-W2156 HydrophobicContact CD1-CZ2 4.48Å; L2087-F2222 HydrophobicContact CB-CE2 3.66Å; L2087-F2222 HydrophobicContact CB-CZ 4Å; L2087-F2222 HydrophobicContact CD1-CE2 4.45Å |
| 2088 | H | 84.9 | Confident | 84.5 | Confident | 6.4 Ų | 6.4 | 32.6 Ų | 32.6 | 3% | 0.03 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -58.2 | -51.5 | -179.1 | 174.1 | -89.1 | 0 | 0 | 0 | 112 | S2084 C2085 N2090 W2091 I2213 P2217 L2218 N2219 F2222 | S2084-H2088 WeakPolarHBondContact O-CB 3.36Å; S2084-H2088 PolarHBondContact O-N 2.93Å; C2085-H2088 PolarHBondContact O-N 3.15Å; H2088-N2090 VanDerWaalsContact C-N 3.3Å; H2088-N2090 PolarHBondContact O-N 3.46Å; H2088-W2091 WeakPolarHBondContact O-CB 3.33Å; H2088-W2091 PolarHBondContact O-N 3.06Å; H2088-I2213 HydrophobicContact CB-CD1 3.98Å; H2088-I2213 HydrophobicContact CB-CG1 4.4Å; H2088-P2217 PolarHBondContact CE1-O 3.17Å; H2088-P2217 VanDerWaalsContact CE1-O 3.27Å; H2088-P2217 PolarHBondContact NE2-O 3.4Å; H2088-L2218 WeakPolarHBondContact NE2-CA 3.24Å; H2088-N2219 PolarHBondContact NE2-N 3.14Å; H2088-N2219 PolarHBondContact O-ND2 3.36Å; H2088-F2222 HydrophobicContact CB-CD1 4.21Å; H2088-F2222 HydrophobicContact CB-CE1 4.08Å; H2088-F2222 HydrophobicContact CB-CZ 4.35Å; H2088-F2222 AromaticContact CD2-CD1 3.86Å |
| 2089 | D | 80.8 | Confident | 84.6 | Confident | 50.2 Ų | 50.2 | 29.7 Ų | 29.7 | 27% | 0.268 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -76.1 | -30.2 | -174.1 | -70.2 | -5.7 | 0 | 0 | 0 | 112.4 | M1922 C2085 L2087 W2091 Y2212 | M1922-D2089 HydrophobicContact CE-CB 3.56Å; M1922-D2089 VanDerWaalsContact CE-OD2 3.3Å; M1922-D2089 WeakPolarHBondContact CE-OD2 3.27Å; C2085-D2089 WeakPolarHBondContact O-CB 3.21Å; C2085-D2089 PolarHBondContact O-N 3.16Å; L2087-D2089 PolarHBondContact O-N 3.46Å; D2089-W2091 VanDerWaalsContact C-N 3.28Å; D2089-W2091 PolarHBondContact O-N 3.49Å; D2089-Y2212 VanDerWaalsContact OD2-CE1 3.24Å; D2089-Y2212 WeakPolarHBondContact OD2-CE1 3.3Å; D2089-Y2212 PolarHBondContact OD2-OH 3.08Å; D2089-Y2212 VanDerWaalsContact OD2-OH 3.11Å |
| 2090 | N | 81.6 | Confident | 84.7 | Confident | 40.6 Ų | 40.6 | 28.6 Ų | 28.6 | 22% | 0.217 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -93.5 | 5.8 | 178.6 | -64.8 | -60.1 | 0 | 0 | 0 | 113.7 | L2086 L2087 H2088 S2092 S2093 Y2094 | L2086-N2090 WeakPolarHBondContact O-CB 3.36Å; L2086-N2090 PolarHBondContact O-N 3.04Å; L2086-N2090 PolarHBondContact O-ND2 3.12Å; L2087-N2090 PolarHBondContact O-N 3.3Å; H2088-N2090 VanDerWaalsContact C-N 3.3Å; H2088-N2090 PolarHBondContact O-N 3.46Å; N2090-S2092 PolarHBondContact O-N 3.1Å; N2090-S2092 VanDerWaalsContact O-N 3.1Å; N2090-S2093 WeakPolarHBondContact O-CB 3.29Å; N2090-S2093 PolarHBondContact O-N 3.02Å; N2090-S2093 PolarHBondContact O-OG 3.36Å; N2090-Y2094 HydrophobicContact CB-CD2 4.49Å; N2090-Y2094 HydrophobicContact CB-CE2 3.96Å; N2090-Y2094 VanDerWaalsContact O-CD2 3.29Å; N2090-Y2094 WeakPolarHBondContact O-CD2 3.36Å |
| 2091 | W | 85.9 | Confident | 84.7 | Confident | 0.4 Ų | 0.4 | 30.3 Ų | 30.3 | 0% | 0.002 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -57.9 | -29.9 | -171 | -162.8 | -102.7 | 0 | 0 | 0 | 114.9 | L2087 H2088 D2089 S2093 Y2094 N2095 W2147 L2148 L2151 N2219 F2222 S2225 | L2087-W2091 HydrophobicContact CB-CE3 4.38Å; L2087-W2091 HydrophobicContact CB-CZ3 4.32Å; L2087-W2091 WeakPolarHBondContact O-CA 3.23Å; L2087-W2091 WeakPolarHBondContact O-CB 3.25Å; L2087-W2091 PolarHBondContact O-N 3.04Å; L2087-W2091 VanDerWaalsContact O-N 3.1Å; H2088-W2091 WeakPolarHBondContact O-CB 3.33Å; H2088-W2091 PolarHBondContact O-N 3.06Å; D2089-W2091 VanDerWaalsContact C-N 3.28Å; D2089-W2091 PolarHBondContact O-N 3.49Å; W2091-S2093 PolarHBondContact O-N 3.22Å; W2091-S2093 VanDerWaalsContact O-N 3.14Å; W2091-Y2094 HydrophobicContact CD2-CD2 4.4Å; W2091-Y2094 AromaticContact CE3-CD2 3.88Å; W2091-Y2094 HydrophobicContact CE3-CD2 4.09Å; W2091-Y2094 HydrophobicContact CE3-CG 4.4Å; W2091-Y2094 HydrophobicContact CZ3-CD2 4.32Å; W2091-Y2094 HydrophobicContact CZ3-CG 4.44Å; W2091-Y2094 WeakPolarHBondContact O-CA 3.36Å; W2091-Y2094 PolarHBondContact O-N 3.08Å; W2091-N2095 PolarHBondContact NE1-OD1 3.33Å; W2091-N2095 PolarHBondContact O-N 2.98Å; W2091-N2095 VanDerWaalsContact O-N 3.14Å; W2091-W2147 AromaticContact CH2-CH2 3.63Å; W2091-W2147 HydrophobicContact CH2-CH2 3.63Å; W2091-W2147 HydrophobicContact CH2-CZ2 4.35Å; W2091-W2147 HydrophobicContact CH2-CZ3 4.34Å; W2091-W2147 HydrophobicContact CZ2-CH2 4.42Å; W2091-W2147 AromaticContact CZ3-CH2 3.8Å; W2091-W2147 HydrophobicContact CZ3-CH2 3.8Å; W2091-W2147 HydrophobicContact CZ3-CZ3 4.34Å; W2091-L2148 HydrophobicContact CH2-CD1 4.03Å; W2091-L2148 HydrophobicContact CZ2-CD1 4.12Å; W2091-L2151 HydrophobicContact CH2-CD2 4.31Å; W2091-L2151 HydrophobicContact CZ3-CD2 4.41Å; W2091-N2219 WeakPolarHBondContact CB-ND2 3.27Å; W2091-F2222 HydrophobicContact CB-CB 4.17Å; W2091-F2222 HydrophobicContact CD2-CB 3.9Å; W2091-F2222 AromaticContact CD2-CD2 3.55Å; W2091-F2222 HydrophobicContact CD2-CD2 3.55Å; W2091-F2222 VanDerWaalsContact CD2-CD2 3.47Å; W2091-F2222 HydrophobicContact CD2-CE2 4.43Å; W2091-F2222 HydrophobicContact CD2-CG 4.19Å; W2091-F2222 HydrophobicContact CE3-CB 4.43Å; W2091-F2222 AromaticContact CE3-CD2 3.22Å; W2091-F2222 HydrophobicContact CE3-CD2 3.22Å; W2091-F2222 AromaticContact CE3-CE2 3.75Å; W2091-F2222 HydrophobicContact CE3-CE2 3.75Å; W2091-F2222 HydrophobicContact CE3-CG 4.23Å; W2091-F2222 HydrophobicContact CG-CB 3.73Å; W2091-F2222 HydrophobicContact CG-CD2 4.19Å; W2091-F2222 HydrophobicContact CG-CG 4.4Å; W2091-F2222 AromaticContact CH2-CD2 3.95Å; W2091-F2222 HydrophobicContact CH2-CD2 4.07Å; W2091-F2222 HydrophobicContact CH2-CE2 4.39Å; W2091-F2222 HydrophobicContact CZ2-CD2 4.33Å; W2091-F2222 AromaticContact CZ3-CD2 3.48Å; W2091-F2222 HydrophobicContact CZ3-CD2 3.48Å; W2091-F2222 VanDerWaalsContact CZ3-CD2 3.43Å; W2091-F2222 AromaticContact CZ3-CE2 3.72Å; W2091-F2222 HydrophobicContact CZ3-CE2 3.72Å; W2091-S2225 VanDerWaalsContact CE2-OG 3.29Å; W2091-S2225 WeakPolarHBondContact CH2-OG 3.47Å; W2091-S2225 WeakPolarHBondContact CZ2-OG 3.25Å |
| 2092 | S | 80.4 | Confident | 84.7 | Confident | 85 Ų | 85 | 28.6 Ų | 28.6 | 59% | 0.594 | 17% | 0.167 | S | C | * | . | H | α-helix | trans | -54.9 | -32.6 | 175.3 | 53.5 | 0 | 0 | 0 | 0 | 112.9 | N2090 Y2094 | N2090-S2092 PolarHBondContact O-N 3.1Å; N2090-S2092 VanDerWaalsContact O-N 3.1Å; S2092-Y2094 VanDerWaalsContact C-N 3.34Å |
| 2093 | S | 81 | Confident | 84.5 | Confident | 73 Ų | 73 | 27 Ų | 27 | 51% | 0.51 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -76.3 | -24.1 | 176.7 | -41.8 | 0 | 0 | 0 | 0 | 113.1 | N2090 W2091 P2096 | N2090-S2093 WeakPolarHBondContact O-CB 3.29Å; N2090-S2093 PolarHBondContact O-N 3.02Å; N2090-S2093 PolarHBondContact O-OG 3.36Å; W2091-S2093 PolarHBondContact O-N 3.22Å; W2091-S2093 VanDerWaalsContact O-N 3.14Å; S2093-P2096 WeakPolarHBondContact O-CD 3.36Å |
| 2094 | Y | 85.1 | Confident | 83.9 | Confident | 16.6 Ų | 16.6 | 31.1 Ų | 31.1 | 7% | 0.065 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -91.6 | -19.3 | -179.2 | -62 | -68.7 | 0 | 0 | 0 | 113.8 | L1977 V1979 I2060 L2087 N2090 W2091 S2092 P2096 V2097 Q2098 W2147 | L1977-Y2094 WeakPolarHBondContact CB-OH 3.38Å; L1977-Y2094 WeakPolarHBondContact O-CE1 3.43Å; L1977-Y2094 PolarHBondContact O-OH 3.06Å; V1979-Y2094 HydrophobicContact CG2-CD1 3.75Å; V1979-Y2094 HydrophobicContact CG2-CE1 3.69Å; V1979-Y2094 VanDerWaalsContact CG2-CE1 3.44Å; I2060-Y2094 HydrophobicContact CD1-CE1 4.33Å; L2087-Y2094 HydrophobicContact CD2-CD2 4.24Å; L2087-Y2094 HydrophobicContact CD2-CE1 4.49Å; L2087-Y2094 HydrophobicContact CD2-CE2 4.06Å; N2090-Y2094 HydrophobicContact CB-CD2 4.49Å; N2090-Y2094 HydrophobicContact CB-CE2 3.96Å; N2090-Y2094 VanDerWaalsContact O-CD2 3.29Å; N2090-Y2094 WeakPolarHBondContact O-CD2 3.36Å; W2091-Y2094 HydrophobicContact CD2-CD2 4.4Å; W2091-Y2094 AromaticContact CE3-CD2 3.88Å; W2091-Y2094 HydrophobicContact CE3-CD2 4.09Å; W2091-Y2094 HydrophobicContact CE3-CG 4.4Å; W2091-Y2094 HydrophobicContact CZ3-CD2 4.32Å; W2091-Y2094 HydrophobicContact CZ3-CG 4.44Å; W2091-Y2094 WeakPolarHBondContact O-CA 3.36Å; W2091-Y2094 PolarHBondContact O-N 3.08Å; S2092-Y2094 VanDerWaalsContact C-N 3.34Å; Y2094-P2096 VanDerWaalsContact C-CD 3.47Å; Y2094-P2096 VanDerWaalsContact C-N 3.35Å; Y2094-V2097 HydrophobicContact CD1-CG2 4.27Å; Y2094-V2097 CarbonylContact O-C 3.44Å; Y2094-V2097 VanDerWaalsContact O-CG2 3.23Å; Y2094-V2097 WeakPolarHBondContact O-CG2 3.4Å; Y2094-V2097 PolarHBondContact O-N 3.31Å; Y2094-Q2098 PolarHBondContact O-N 3.14Å; Y2094-Q2098 VanDerWaalsContact O-N 3.16Å; Y2094-W2147 AromaticContact CD1-CH2 3.86Å; Y2094-W2147 HydrophobicContact CD1-CH2 4.07Å; Y2094-W2147 AromaticContact CD1-CZ2 3.94Å; Y2094-W2147 HydrophobicContact CD1-CZ2 4.21Å; Y2094-W2147 HydrophobicContact CD1-CZ3 4.47Å; Y2094-W2147 HydrophobicContact CG-CH2 4.1Å; Y2094-W2147 HydrophobicContact CG-CZ2 4.42Å |
| 2095 | N | 80.5 | Confident | 83.2 | Confident | 50 Ų | 50 | 31.7 Ų | 31.7 | 27% | 0.267 | 18% | 0.18 | S | C | . | . | G | 310 helix | trans | -49.5 | -44.3 | 177.7 | -131.6 | 5.4 | 0 | 0 | 0 | 114.7 | W2091 V2097 Q2098 Q2221 | W2091-N2095 PolarHBondContact NE1-OD1 3.33Å; W2091-N2095 PolarHBondContact O-N 2.98Å; W2091-N2095 VanDerWaalsContact O-N 3.14Å; N2095-V2097 VanDerWaalsContact C-N 3.28Å; N2095-V2097 PolarHBondContact O-N 3.17Å; N2095-Q2098 VanDerWaalsContact O-CG 3.3Å; N2095-Q2098 WeakPolarHBondContact O-CG 3.35Å; N2095-Q2098 PolarHBondContact O-NE2 3.24Å; N2095-Q2098 VanDerWaalsContact O-NE2 3.08Å; N2095-Q2098 PolarHBondContact OD1-NE2 3.14Å; N2095-Q2221 PolarHBondContact ND2-OE1 2.98Å; N2095-Q2221 PolarHBondContact OD1-OE1 3.21Å |
| 2096 | P | 80.8 | Confident | 82.1 | Confident | 91.6 Ų | 91.6 | 35.4 Ų | 35.4 | 60% | 0.595 | 20% | 0.195 | S | C | * | . | G | 310 helix | trans | -72.9 | -16.1 | 178.5 | 19.7 | -23.4 | 0 | 0 | 0 | 114.5 | S2093 Y2094 | S2093-P2096 WeakPolarHBondContact O-CD 3.36Å; Y2094-P2096 VanDerWaalsContact C-CD 3.47Å; Y2094-P2096 VanDerWaalsContact C-N 3.35Å |
| 2097 | V | 84.8 | Confident | 80.9 | Confident | 23 Ų | 23 | 37.2 Ų | 37.2 | 14% | 0.139 | 21% | 0.205 | C | C | . | . | G | 310 helix | trans | -110.7 | 12.1 | -174.9 | -60.5 | 0 | 0 | 0 | 0 | 113.1 | V1979 Y2055 Y2094 N2095 S2099 S2145 W2147 | V1979-V2097 HydrophobicContact CB-CG2 4.16Å; V1979-V2097 HydrophobicContact CG1-CB 4.02Å; V1979-V2097 HydrophobicContact CG1-CG1 4.34Å; V1979-V2097 HydrophobicContact CG1-CG2 3.89Å; V1979-V2097 HydrophobicContact CG2-CG2 4.26Å; Y2055-V2097 HydrophobicContact CD1-CB 3.78Å; Y2055-V2097 HydrophobicContact CD1-CG1 3.65Å; Y2055-V2097 HydrophobicContact CD2-CB 4.11Å; Y2055-V2097 HydrophobicContact CD2-CG1 4.48Å; Y2055-V2097 HydrophobicContact CE1-CB 4.07Å; Y2055-V2097 HydrophobicContact CE1-CG1 3.52Å; Y2055-V2097 VanDerWaalsContact CE1-CG1 3.45Å; Y2055-V2097 HydrophobicContact CE2-CB 4.4Å; Y2055-V2097 HydrophobicContact CE2-CG1 4.45Å; Y2055-V2097 HydrophobicContact CG-CB 3.8Å; Y2055-V2097 HydrophobicContact CG-CG1 4.19Å; Y2094-V2097 HydrophobicContact CD1-CG2 4.27Å; Y2094-V2097 CarbonylContact O-C 3.44Å; Y2094-V2097 VanDerWaalsContact O-CG2 3.23Å; Y2094-V2097 WeakPolarHBondContact O-CG2 3.4Å; Y2094-V2097 PolarHBondContact O-N 3.31Å; N2095-V2097 VanDerWaalsContact C-N 3.28Å; N2095-V2097 PolarHBondContact O-N 3.17Å; V2097-S2099 VanDerWaalsContact C-N 3.3Å; V2097-S2099 PolarHBondContact O-N 2.93Å; V2097-S2145 WeakPolarHBondContact O-CB 3.26Å; V2097-S2145 PolarHBondContact O-OG 3.05Å; V2097-S2145 VanDerWaalsContact O-OG 3.07Å; V2097-W2147 HydrophobicContact CG2-CZ2 4.36Å; V2097-W2147 PolarHBondContact O-NE1 3.11Å |
| 2098 | Q | 87 | Confident | 79.3 | Confident | 50.2 Ų | 50.2 | 42.2 Ų | 42.2 | 24% | 0.235 | 23% | 0.228 | C | C | . | . | S | Bend | trans | -74.6 | -21.9 | -179.6 | 75.7 | -173 | -46.5 | 0 | 0 | 113.5 | Y2094 N2095 Y2144 S2145 L2148 | Y2094-Q2098 PolarHBondContact O-N 3.14Å; Y2094-Q2098 VanDerWaalsContact O-N 3.16Å; N2095-Q2098 VanDerWaalsContact O-CG 3.3Å; N2095-Q2098 WeakPolarHBondContact O-CG 3.35Å; N2095-Q2098 PolarHBondContact O-NE2 3.24Å; N2095-Q2098 VanDerWaalsContact O-NE2 3.08Å; N2095-Q2098 PolarHBondContact OD1-NE2 3.14Å; Q2098-Y2144 WeakPolarHBondContact O-CA 3.42Å; Q2098-S2145 VanDerWaalsContact C-OG 3.25Å; Q2098-S2145 WeakPolarHBondContact O-CB 3.46Å; Q2098-S2145 PolarHBondContact O-N 3.05Å; Q2098-S2145 PolarHBondContact O-OG 3.17Å; Q2098-L2148 HydrophobicContact CB-CD2 3.88Å |
| 2099 | S | 87 | Confident | 77.5 | Confident | 22.4 Ų | 22.4 | 47.7 Ų | 47.7 | 16% | 0.157 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 136.9 | -171.3 | 17.1 | 0 | 0 | 0 | 0 | 111.8 | Y2055 V2097 Y2141 D2143 | Y2055-S2099 WeakPolarHBondContact CE2-O 3.24Å; V2097-S2099 VanDerWaalsContact C-N 3.3Å; V2097-S2099 PolarHBondContact O-N 2.93Å; S2099-Y2141 WeakPolarHBondContact OG-CE2 3.23Å; S2099-D2143 CarbonylContact C-O 3.5Å; S2099-D2143 VanDerWaalsContact CA-O 3.26Å; S2099-D2143 WeakPolarHBondContact CA-O 3.41Å |
| 2100 | A | 88.1 | Confident | 75.5 | Confident | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 140.1 | 162.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | L2021 E2053 D2054 L2142 D2143 | L2021-A2100 HydrophobicContact CD1-CB 3.84Å; L2021-A2100 HydrophobicContact CD2-CB 4.04Å; E2053-A2100 CarbonylContact O-C 3.55Å; E2053-A2100 VanDerWaalsContact O-CA 3.27Å; E2053-A2100 WeakPolarHBondContact O-CA 3.37Å; D2054-A2100 HydrophobicContact CB-CB 4.43Å; A2100-L2142 HydrophobicContact CB-CB 4.34Å; A2100-L2142 HydrophobicContact CB-CD2 4.33Å; A2100-L2142 VanDerWaalsContact O-CB 3.29Å; A2100-L2142 WeakPolarHBondContact O-CB 3.39Å; A2100-L2142 PolarHBondContact O-N 3.18Å; A2100-D2143 PolarHBondContact N-O 3.21Å; A2100-D2143 PolarHBondContact O-N 3.22Å |
| 2101 | L | 87.4 | Confident | 73.5 | Confident | 35.8 Ų | 35.8 | 53.6 Ų | 53.6 | 19% | 0.187 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 156.5 | -177.9 | -56.3 | 174.5 | 0 | 0 | 0 | 109.7 | I2052 E2053 L2139 Y2140 | I2052-L2101 CarbonylContact C-O 3.54Å; I2052-L2101 WeakPolarHBondContact CA-O 3.31Å; E2053-L2101 HydrophobicContact CB-CB 4.49Å; E2053-L2101 PolarHBondContact N-O 2.95Å; E2053-L2101 PolarHBondContact O-N 3.11Å; L2101-L2139 HydrophobicContact CB-CB 4.24Å; L2101-L2139 HydrophobicContact CB-CD2 3.7Å; L2101-L2139 HydrophobicContact CB-CG 4.44Å; L2101-L2139 HydrophobicContact CD1-CB 4.1Å; L2101-L2139 HydrophobicContact CD1-CD1 4.13Å; L2101-L2139 HydrophobicContact CD1-CD2 4.06Å; L2101-L2139 HydrophobicContact CD1-CG 4.33Å; L2101-L2139 HydrophobicContact CG-CB 4.49Å; L2101-L2139 HydrophobicContact CG-CD2 4.44Å; L2101-Y2140 CarbonylContact C-O 3.56Å; L2101-Y2140 VanDerWaalsContact CA-O 3.23Å; L2101-Y2140 WeakPolarHBondContact CA-O 3.24Å |
| 2102 | F | 85.2 | Confident | 71.3 | Confident | 5.6 Ų | 5.6 | 61 Ų | 61 | 3% | 0.025 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 149.4 | 171.9 | 76.2 | -78.7 | 0 | 0 | 0 | 112.4 | I2025 A2028 L2029 Q2032 Y2050 L2051 I2052 Y2140 L2142 | I2025-F2102 HydrophobicContact CD1-CB 3.92Å; I2025-F2102 HydrophobicContact CD1-CD1 4.14Å; I2025-F2102 HydrophobicContact CD1-CD2 3.59Å; I2025-F2102 HydrophobicContact CD1-CE2 4.07Å; I2025-F2102 HydrophobicContact CD1-CG 3.62Å; I2025-F2102 HydrophobicContact CD1-CZ 4.47Å; A2028-F2102 HydrophobicContact CB-CE1 3.95Å; A2028-F2102 HydrophobicContact CB-CZ 4.1Å; L2029-F2102 HydrophobicContact CD2-CE2 4.29Å; Q2032-F2102 HydrophobicContact CG-CZ 4.2Å; Y2050-F2102 HydrophobicContact CD1-CD2 4.2Å; Y2050-F2102 HydrophobicContact CD1-CE2 4.43Å; L2051-F2102 CarbonylContact O-C 3.42Å; L2051-F2102 VanDerWaalsContact O-CA 3.28Å; L2051-F2102 WeakPolarHBondContact O-CA 3.3Å; I2052-F2102 HydrophobicContact CG1-CB 4.13Å; F2102-Y2140 WeakPolarHBondContact CD1-O 3.31Å; F2102-Y2140 VanDerWaalsContact CE1-CB 3.47Å; F2102-Y2140 HydrophobicContact CE1-CG 4.36Å; F2102-Y2140 HydrophobicContact CE2-CD2 4.29Å; F2102-Y2140 HydrophobicContact CE2-CG 4.35Å; F2102-Y2140 HydrophobicContact CZ-CD2 4.25Å; F2102-Y2140 HydrophobicContact CZ-CG 4.26Å; F2102-Y2140 PolarHBondContact N-O 3.29Å; F2102-Y2140 PolarHBondContact O-N 3.24Å; F2102-L2142 HydrophobicContact CB-CD1 4.22Å; F2102-L2142 HydrophobicContact CD1-CB 3.95Å; F2102-L2142 HydrophobicContact CD1-CD1 3.79Å; F2102-L2142 HydrophobicContact CD1-CG 4.39Å; F2102-L2142 HydrophobicContact CE1-CD1 4.19Å; F2102-L2142 HydrophobicContact CG-CD1 4.38Å |
| 2103 | T | 82.4 | Confident | 69.3 | Low | 8.4 Ų | 8.4 | 64.5 Ų | 64.5 | 5% | 0.052 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 149.9 | 175.7 | 39.2 | 0 | 0 | 0 | 0 | 110.2 | Y2050 L2051 H2136 L2139 | Y2050-T2103 CarbonylContact C-O 3.55Å; Y2050-T2103 VanDerWaalsContact CA-O 3.3Å; Y2050-T2103 WeakPolarHBondContact CA-O 3.32Å; L2051-T2103 PolarHBondContact N-O 3.08Å; L2051-T2103 PolarHBondContact O-N 3.19Å; L2051-T2103 PolarHBondContact O-OG1 3.1Å; T2103-H2136 WeakPolarHBondContact CG2-O 3.46Å; T2103-L2139 HydrophobicContact CG2-CB 4.25Å; T2103-L2139 HydrophobicContact CG2-CD2 3.52Å; T2103-L2139 VanDerWaalsContact CG2-CD2 3.46Å; T2103-L2139 HydrophobicContact CG2-CG 3.78Å; T2103-L2139 WeakPolarHBondContact OG1-CD2 3.19Å |
| 2104 | R | 75.2 | Confident | 67.2 | Low | 85.4 Ų | 85.4 | 70.6 Ų | 70.6 | 32% | 0.322 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 125.6 | 175.3 | -177.5 | 179.2 | 160.3 | -177.9 | -0.1 | 109.7 | T2048 Y2050 D2110 | T2048-R2104 HydrophobicContact CG2-CG 3.51Å; Y2050-R2104 HydrophobicContact CD1-CB 4.16Å; Y2050-R2104 HydrophobicContact CD1-CG 4.38Å; Y2050-R2104 HydrophobicContact CE1-CB 4.01Å; Y2050-R2104 HydrophobicContact CE1-CG 4Å; R2104-D2110 IonicContact CZ-OD2 2.71Å; R2104-D2110 IonicContact NE-OD2 3.75Å; R2104-D2110 VanDerWaalsContact NH2-CG 3.35Å; R2104-D2110 IonicContact NH2-OD1 2.71Å; R2104-D2110 IonicContact NH2-OD2 2.57Å; R2104-D2110 PolarHBondContact NH2-OD2 3.18Å |
| 2105 | I | 72.6 | Confident | 64.8 | Low | 12 Ų | 12 | 77.6 Ų | 77.6 | 6% | 0.062 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 121.2 | 171.8 | -56.7 | 173.4 | 0 | 0 | 0 | 107.6 | I2008 T2048 I2049 L2051 I2107 I2133 | I2008-I2105 HydrophobicContact CG2-CD1 4.18Å; T2048-I2105 WeakPolarHBondContact CA-O 3.21Å; I2049-I2105 HydrophobicContact CG2-CD1 4.11Å; I2049-I2105 PolarHBondContact N-O 3.12Å; I2049-I2105 WeakPolarHBondContact O-CB 3.47Å; I2049-I2105 PolarHBondContact O-N 3.21Å; L2051-I2105 HydrophobicContact CB-CD1 4.02Å; L2051-I2105 HydrophobicContact CB-CG1 4.17Å; L2051-I2105 HydrophobicContact CD2-CD1 4.49Å; I2105-I2107 HydrophobicContact CG2-CG1 4.42Å; I2105-I2133 HydrophobicContact CG2-CG2 3.91Å |
| 2106 | K | 63.7 | Low | 62.6 | Low | 83.2 Ų | 83.2 | 82.8 Ų | 82.8 | 36% | 0.362 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 131 | 170.4 | -91.7 | -170.9 | 179.2 | -175.2 | 0 | 109.3 | T2048 E2108 | T2048-K2106 HydrophobicContact CG2-CG 4.48Å; K2106-E2108 HydrophobicContact CD-CG 3.87Å; K2106-E2108 WeakPolarHBondContact CE-OE1 3.27Å; K2106-E2108 HydrophobicContact CG-CG 4.08Å; K2106-E2108 IonicContact NZ-OE1 2.75Å; K2106-E2108 PolarHBondContact NZ-OE1 3.15Å |
| 2107 | I | 58.8 | Low | 60.5 | Low | 40.6 Ų | 40.6 | 83.6 Ų | 83.6 | 21% | 0.208 | 44% | 0.439 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 115.4 | 171.7 | -56.1 | 165.6 | 0 | 0 | 0 | 106.3 | L2005 N2047 I2049 I2105 N2109 D2110 I2133 | L2005-I2107 HydrophobicContact CD1-CD1 4.07Å; L2005-I2107 HydrophobicContact CD2-CD1 4.14Å; L2005-I2107 HydrophobicContact CG-CD1 4.18Å; N2047-I2107 HydrophobicContact CB-CB 4.1Å; N2047-I2107 WeakPolarHBondContact CB-O 3.44Å; N2047-I2107 PolarHBondContact ND2-O 3.26Å; N2047-I2107 PolarHBondContact O-N 3.01Å; I2049-I2107 HydrophobicContact CD1-CD1 4.14Å; I2049-I2107 HydrophobicContact CG1-CD1 4.44Å; I2105-I2107 HydrophobicContact CG2-CG1 4.42Å; I2107-N2109 PolarHBondContact O-N 3.05Å; I2107-N2109 VanDerWaalsContact O-N 3.14Å; I2107-D2110 PolarHBondContact O-N 3.37Å; I2107-D2110 VanDerWaalsContact O-N 3.11Å; I2107-I2133 HydrophobicContact CG2-CG1 4.49Å |
| 2108 | E | 51.2 | Low | 58.1 | Low | 105.4 Ų | 105.4 | 90.5 Ų | 90.5 | 49% | 0.493 | 48% | 0.475 | S | S | . | . | trans | -73.5 | 70 | -176.8 | -93.9 | 179.9 | 164.5 | 0 | 0 | 112.2 | K2106 D2110 P2131 T2132 T2134 | K2106-E2108 HydrophobicContact CD-CG 3.87Å; K2106-E2108 WeakPolarHBondContact CE-OE1 3.27Å; K2106-E2108 HydrophobicContact CG-CG 4.08Å; K2106-E2108 IonicContact NZ-OE1 2.75Å; K2106-E2108 PolarHBondContact NZ-OE1 3.15Å; E2108-D2110 VanDerWaalsContact C-N 3.28Å; E2108-D2110 PolarHBondContact O-N 3.14Å; E2108-P2131 WeakPolarHBondContact O-CB 3.41Å; E2108-P2131 WeakPolarHBondContact OE2-CA 3.28Å; E2108-T2132 WeakPolarHBondContact CB-O 3.4Å; E2108-T2132 PolarHBondContact N-O 2.69Å; E2108-T2132 PolarHBondContact OE2-N 2.88Å; E2108-T2134 VanDerWaalsContact CD-OG1 3.27Å; E2108-T2134 PolarHBondContact OE1-OG1 3.31Å; E2108-T2134 WeakPolarHBondContact OE2-CG2 3.22Å; E2108-T2134 PolarHBondContact OE2-OG1 2.89Å | ||
| 2109 | N | 47.2 | Very low | 55.7 | Low | 123.2 Ų | 123.2 | 94.4 Ų | 94.4 | 66% | 0.659 | 50% | 0.502 | S | S | * | . | trans | -93.9 | 41.9 | 173.3 | -75.9 | -8.3 | 0 | 0 | 0 | 111.5 | N2047 I2107 S2111 P2131 | N2047-N2109 VanDerWaalsContact ND2-CG 3.32Å; N2047-N2109 PolarHBondContact ND2-ND2 3.23Å; I2107-N2109 PolarHBondContact O-N 3.05Å; I2107-N2109 VanDerWaalsContact O-N 3.14Å; N2109-S2111 PolarHBondContact O-N 3.35Å; N2109-S2111 VanDerWaalsContact O-N 3.15Å; N2109-P2131 WeakPolarHBondContact OD1-CB 3.46Å | ||
| 2110 | D | 40 | Very low | 53.3 | Low | 109.6 Ų | 109.6 | 101 Ų | 101 | 59% | 0.586 | 54% | 0.536 | S | S | * | . | trans | -81.6 | 73.9 | 178.5 | -100.9 | -15.8 | 0 | 0 | 0 | 111.8 | R2104 I2107 E2108 L2112 T2132 | R2104-D2110 IonicContact CZ-OD2 2.71Å; R2104-D2110 IonicContact NE-OD2 3.75Å; R2104-D2110 VanDerWaalsContact NH2-CG 3.35Å; R2104-D2110 IonicContact NH2-OD1 2.71Å; R2104-D2110 IonicContact NH2-OD2 2.57Å; R2104-D2110 PolarHBondContact NH2-OD2 3.18Å; I2107-D2110 PolarHBondContact O-N 3.37Å; I2107-D2110 VanDerWaalsContact O-N 3.11Å; E2108-D2110 VanDerWaalsContact C-N 3.28Å; E2108-D2110 PolarHBondContact O-N 3.14Å; D2110-L2112 VanDerWaalsContact C-N 3.27Å; D2110-L2112 PolarHBondContact O-N 3.43Å; D2110-T2132 PolarHBondContact OD2-OG1 2.83Å | ||
| 2111 | S | 40 | Very low | 51.1 | Low | 105.2 Ų | 105.2 | 108.6 Ų | 108.6 | 74% | 0.736 | 58% | 0.577 | S | S | * | * | trans | -115 | 65.7 | 168.4 | 44.9 | 0 | 0 | 0 | 0 | 113.3 | N2109 | N2109-S2111 PolarHBondContact O-N 3.35Å; N2109-S2111 VanDerWaalsContact O-N 3.15Å | ||
| 2112 | L | 38.1 | Very low | 48.8 | Very low | 154.4 Ų | 154.4 | 110.4 Ų | 110.4 | 81% | 0.808 | 60% | 0.604 | S | S | * | * | trans | -119.5 | 10 | 167.8 | -143.2 | 93.2 | 0 | 0 | 0 | 113.7 | D2110 K2114 | D2110-L2112 VanDerWaalsContact C-N 3.27Å; D2110-L2112 PolarHBondContact O-N 3.43Å; L2112-K2114 VanDerWaalsContact C-N 3.33Å; L2112-K2114 PolarHBondContact O-N 3.1Å | ||
| 2113 | D | 39.2 | Very low | 46.4 | Very low | 159.2 Ų | 159.2 | 119.2 Ų | 119.2 | 85% | 0.851 | 64% | 0.643 | S | S | * | * | S | Bend | trans | -110.2 | 23.3 | -178.2 | -84.5 | -19.5 | 0 | 0 | 0 | 114.9 | L2115 | D2113-L2115 VanDerWaalsContact C-N 3.34Å; D2113-L2115 PolarHBondContact O-N 3.21Å |
| 2114 | K | 36.8 | Very low | 44.4 | Very low | 201.4 Ų | 201.4 | 124.3 Ų | 124.3 | 88% | 0.876 | 68% | 0.676 | S | S | * | * | trans | -128.8 | 66.2 | 170.3 | -74.6 | -171 | 179.1 | 177.1 | 0 | 112.1 | L2112 D2116 | L2112-K2114 VanDerWaalsContact C-N 3.33Å; L2112-K2114 PolarHBondContact O-N 3.1Å; K2114-D2116 PolarHBondContact O-N 2.95Å | ||
| 2115 | L | 34.7 | Very low | 42.9 | Very low | 162.8 Ų | 162.8 | 125.8 Ų | 125.8 | 85% | 0.852 | 70% | 0.697 | S | S | * | * | trans | -119.9 | 43.6 | 159.9 | -142.2 | 101.6 | 0 | 0 | 0 | 111.2 | D2113 S2117 | D2113-L2115 VanDerWaalsContact C-N 3.34Å; D2113-L2115 PolarHBondContact O-N 3.21Å; L2115-S2117 PolarHBondContact O-N 3.39Å | ||
| 2116 | D | 34.7 | Very low | 41.4 | Very low | 159.2 Ų | 159.2 | 130.6 Ų | 130.6 | 85% | 0.851 | 73% | 0.728 | S | S | * | * | trans | -129.6 | 79.6 | 164 | -81.3 | -25.8 | 0 | 0 | 0 | 110.4 | K2114 | K2114-D2116 PolarHBondContact O-N 2.95Š| ||
| 2117 | S | 36.5 | Very low | 40.4 | Very low | 108.6 Ų | 108.6 | 132.8 Ų | 132.8 | 76% | 0.759 | 75% | 0.751 | S | S | * | * | trans | -174 | 112.5 | 145.7 | 39 | 0 | 0 | 0 | 0 | 110.9 | L2115 T2119 | L2115-S2117 PolarHBondContact O-N 3.39Å; S2117-T2119 PolarHBondContact O-N 3.06Å; S2117-T2119 VanDerWaalsContact O-N 3.13Å | ||
| 2118 | N | 33.8 | Very low | 39.7 | Very low | 167 Ų | 167 | 135.5 Ų | 135.5 | 89% | 0.893 | 77% | 0.774 | S | S | * | * | trans | -61 | 115.4 | 167.1 | -74.4 | -37.5 | 0 | 0 | 0 | 111 | ||||
| 2119 | T | 37.5 | Very low | 39.3 | Very low | 132.6 Ų | 132.6 | 135.6 Ų | 135.6 | 81% | 0.813 | 78% | 0.784 | S | S | * | * | trans | -154.2 | 115.7 | 140.8 | 29.4 | 0 | 0 | 0 | 0 | 109.3 | S2117 D2121 | S2117-T2119 PolarHBondContact O-N 3.06Å; S2117-T2119 VanDerWaalsContact O-N 3.13Å; T2119-D2121 VanDerWaalsContact C-N 3.28Å; T2119-D2121 PolarHBondContact O-N 3.28Å | ||
| 2120 | N | 37 | Very low | 39 | Very low | 161.6 Ų | 161.6 | 134.5 Ų | 134.5 | 86% | 0.864 | 78% | 0.784 | S | S | * | * | trans | -58.9 | 118 | 163.8 | -72.1 | -36.3 | 0 | 0 | 0 | 109.3 | ||||
| 2121 | D | 41 | Very low | 39.1 | Very low | 158.4 Ų | 158.4 | 131.9 Ų | 131.9 | 85% | 0.847 | 77% | 0.772 | S | S | * | * | trans | -160.1 | 121.4 | 140.7 | -98.7 | -28.7 | 0 | 0 | 0 | 110.3 | T2119 F2123 | T2119-D2121 VanDerWaalsContact C-N 3.28Å; T2119-D2121 PolarHBondContact O-N 3.28Å; D2121-F2123 VanDerWaalsContact C-N 3.28Å; D2121-F2123 PolarHBondContact O-N 3.14Å; D2121-F2123 VanDerWaalsContact O-N 3.13Å | ||
| 2122 | G | 38.4 | Very low | 39.2 | Very low | 74.6 Ų | 74.6 | 131.2 Ų | 131.2 | 77% | 0.769 | 76% | 0.764 | S | S | * | * | trans | -66.3 | 85.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 2123 | F | 35.9 | Very low | 39.7 | Very low | 191 Ų | 191 | 125.5 Ų | 125.5 | 84% | 0.838 | 73% | 0.734 | S | S | * | * | trans | -132.4 | 134.3 | 158.5 | -81 | -82 | 0 | 0 | 0 | 110.3 | D2121 | D2121-F2123 VanDerWaalsContact C-N 3.28Å; D2121-F2123 PolarHBondContact O-N 3.14Å; D2121-F2123 VanDerWaalsContact O-N 3.13Å | ||
| 2124 | P | 41 | Very low | 40.1 | Very low | 115.4 Ų | 115.4 | 121 Ų | 121 | 75% | 0.749 | 71% | 0.712 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 129.7 | 177.1 | 26.8 | -31.5 | 0 | 0 | 0 | 109.5 | ||
| 2125 | P | 43.7 | Very low | 40.8 | Very low | 116.4 Ų | 116.4 | 115 Ų | 115 | 76% | 0.756 | 69% | 0.689 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 144.4 | 178.4 | 26.5 | -32 | 0 | 0 | 0 | 110.3 | ||
| 2126 | P | 41.3 | Very low | 41.6 | Very low | 111.8 Ų | 111.8 | 111.8 Ų | 111.8 | 73% | 0.726 | 67% | 0.669 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 154.7 | 174.7 | 26.9 | -33.2 | 0 | 0 | 0 | 110.6 | S2128 | P2126-S2128 PolarHBondContact O-N 3.22Å; P2126-S2128 VanDerWaalsContact O-N 3.09Å |
| 2127 | P | 42.7 | Very low | 42.5 | Very low | 129.6 Ų | 129.6 | 111.3 Ų | 111.3 | 84% | 0.842 | 67% | 0.667 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 121.6 | -177.9 | 23.9 | -32.9 | 0 | 0 | 0 | 110 | ||
| 2128 | S | 42.3 | Very low | 43.9 | Very low | 99 Ų | 99 | 109.8 Ų | 109.8 | 69% | 0.692 | 65% | 0.653 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 140.9 | 177 | 42.9 | 0 | 0 | 0 | 0 | 110.5 | P2126 | P2126-S2128 PolarHBondContact O-N 3.22Å; P2126-S2128 VanDerWaalsContact O-N 3.09Å |
| 2129 | P | 42.8 | Very low | 45.7 | Very low | 107.2 Ų | 107.2 | 105.7 Ų | 105.7 | 70% | 0.696 | 63% | 0.631 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 154.1 | 175.4 | 25.4 | -32.4 | 0 | 0 | 0 | 111 | ||
| 2130 | P | 40.9 | Very low | 47.7 | Very low | 100 Ų | 100 | 104.2 Ų | 104.2 | 65% | 0.649 | 61% | 0.611 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 147.2 | 179.3 | 24.8 | -33.4 | 0 | 0 | 0 | 111.4 | V2004 T2132 | V2004-P2130 HydrophobicContact CG2-CB 4.14Å; P2130-T2132 PolarHBondContact O-N 3.32Å; P2130-T2132 PolarHBondContact O-OG1 3.41Å |
| 2131 | P | 42.8 | Very low | 49.9 | Very low | 53.6 Ų | 53.6 | 102.4 Ų | 102.4 | 35% | 0.348 | 59% | 0.593 | S | S | . | * | P | Polyproline II helix | trans | -60.6 | 130.4 | -175.5 | 23.9 | -33.2 | 0 | 0 | 0 | 111.1 | E2108 N2109 I2133 | E2108-P2131 WeakPolarHBondContact O-CB 3.41Å; E2108-P2131 WeakPolarHBondContact OE2-CA 3.28Å; N2109-P2131 WeakPolarHBondContact OD1-CB 3.46Å; P2131-I2133 PolarHBondContact O-N 3.45Å |
| 2132 | T | 42.2 | Very low | 51.8 | Low | 92 Ų | 92 | 95.6 Ų | 95.6 | 56% | 0.564 | 56% | 0.556 | S | S | * | * | P | Polyproline II helix | trans | -90.8 | 114.6 | 179.6 | -49.7 | 0 | 0 | 0 | 0 | 108.4 | E2108 D2110 P2130 T2134 | E2108-T2132 WeakPolarHBondContact CB-O 3.4Å; E2108-T2132 PolarHBondContact N-O 2.69Å; E2108-T2132 PolarHBondContact OE2-N 2.88Å; D2110-T2132 PolarHBondContact OD2-OG1 2.83Å; P2130-T2132 PolarHBondContact O-N 3.32Å; P2130-T2132 PolarHBondContact O-OG1 3.41Å; T2132-T2134 PolarHBondContact O-N 3.3Å |
| 2133 | I | 48.1 | Very low | 54 | Low | 34.6 Ų | 34.6 | 93.6 Ų | 93.6 | 18% | 0.177 | 53% | 0.528 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 108.9 | 176.9 | -59.9 | 175 | 0 | 0 | 0 | 108.3 | V2004 L2005 I2008 I2105 I2107 P2131 I2135 | V2004-I2133 HydrophobicContact CB-CD1 4.22Å; V2004-I2133 HydrophobicContact CG1-CD1 3.8Å; V2004-I2133 HydrophobicContact CG1-CG1 4.31Å; L2005-I2133 HydrophobicContact CG-CD1 4.23Å; I2008-I2133 HydrophobicContact CD1-CB 3.96Å; I2008-I2133 HydrophobicContact CD1-CD1 3.89Å; I2008-I2133 VanDerWaalsContact CD1-CD1 3.48Å; I2008-I2133 HydrophobicContact CD1-CG1 4.4Å; I2008-I2133 HydrophobicContact CD1-CG2 3.85Å; I2105-I2133 HydrophobicContact CG2-CG2 3.91Å; I2107-I2133 HydrophobicContact CG2-CG1 4.49Å; P2131-I2133 PolarHBondContact O-N 3.45Å; I2133-I2135 HydrophobicContact CG2-CG1 4.08Å; I2133-I2135 PolarHBondContact O-N 3.28Å |
| 2134 | T | 49.1 | Very low | 56.4 | Low | 64 Ų | 64 | 87.7 Ų | 87.7 | 39% | 0.393 | 50% | 0.501 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 105.1 | 171.4 | 25.9 | 0 | 0 | 0 | 0 | 109.8 | E2108 T2132 H2136 | E2108-T2134 VanDerWaalsContact CD-OG1 3.27Å; E2108-T2134 PolarHBondContact OE1-OG1 3.31Å; E2108-T2134 WeakPolarHBondContact OE2-CG2 3.22Å; E2108-T2134 PolarHBondContact OE2-OG1 2.89Å; T2132-T2134 PolarHBondContact O-N 3.3Å; T2134-H2136 PolarHBondContact O-N 3Å |
| 2135 | I | 50.8 | Low | 58.7 | Low | 75 Ų | 75 | 82.2 Ų | 82.2 | 39% | 0.385 | 47% | 0.465 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 119.4 | 166 | -56.1 | 173.8 | 0 | 0 | 0 | 106.5 | I2008 I2133 D2137 | I2008-I2135 HydrophobicContact CD1-CD1 4.39Å; I2008-I2135 HydrophobicContact CG2-CD1 4.44Å; I2133-I2135 HydrophobicContact CG2-CG1 4.08Å; I2133-I2135 PolarHBondContact O-N 3.28Å; I2135-D2137 WeakPolarHBondContact CG2-OD1 3.4Å; I2135-D2137 PolarHBondContact O-N 3.09Å; I2135-D2137 VanDerWaalsContact O-N 3.14Å |
| 2136 | H | 51.2 | Low | 60.8 | Low | 95.6 Ų | 95.6 | 77.5 Ų | 77.5 | 44% | 0.443 | 44% | 0.435 | S | S | . | . | trans | -75.6 | 114.9 | 168 | -78.4 | -74.3 | 0 | 0 | 0 | 108.4 | T2103 T2134 T2138 | T2103-H2136 WeakPolarHBondContact CG2-O 3.46Å; T2134-H2136 PolarHBondContact O-N 3Å; H2136-T2138 PolarHBondContact O-N 3.03Å | ||
| 2137 | D | 54.1 | Low | 63.1 | Low | 148.4 Ų | 148.4 | 72.2 Ų | 72.2 | 79% | 0.794 | 40% | 0.4 | S | S | * | . | S | Bend | trans | -64.3 | 1.8 | -173.6 | -74.9 | -28.8 | 0 | 0 | 0 | 115.6 | I2135 L2139 | I2135-D2137 WeakPolarHBondContact CG2-OD1 3.4Å; I2135-D2137 PolarHBondContact O-N 3.09Å; I2135-D2137 VanDerWaalsContact O-N 3.14Å; D2137-L2139 PolarHBondContact O-N 3Å; D2137-L2139 VanDerWaalsContact O-N 3.13Å |
| 2138 | T | 65.8 | Low | 65.3 | Low | 77 Ų | 77 | 66 Ų | 66 | 47% | 0.472 | 36% | 0.36 | S | S | . | . | trans | -83.8 | 97.8 | -179.3 | 35.9 | 0 | 0 | 0 | 0 | 110.9 | H2136 Y2140 | H2136-T2138 PolarHBondContact O-N 3.03Å; T2138-Y2140 HydrophobicContact CG2-CE1 4.02Å; T2138-Y2140 HydrophobicContact CG2-CE2 4.17Å; T2138-Y2140 VanDerWaalsContact O-CD2 3.28Å; T2138-Y2140 WeakPolarHBondContact O-CD2 3.39Å; T2138-Y2140 WeakPolarHBondContact O-CE2 3.36Å; T2138-Y2140 PolarHBondContact O-N 3.07Å; T2138-Y2140 PolarHBondContact OG1-OH 3.37Å | ||
| 2139 | L | 71.8 | Confident | 67.4 | Low | 81.8 Ų | 81.8 | 64 Ų | 64 | 43% | 0.428 | 34% | 0.338 | S | S | . | . | P | Polyproline II helix | trans | -68.2 | 122 | 167.2 | -76.7 | 155 | 0 | 0 | 0 | 110.2 | E2053 L2101 T2103 D2137 | E2053-L2139 HydrophobicContact CG-CD2 4.18Å; L2101-L2139 HydrophobicContact CB-CB 4.24Å; L2101-L2139 HydrophobicContact CB-CD2 3.7Å; L2101-L2139 HydrophobicContact CB-CG 4.44Å; L2101-L2139 HydrophobicContact CD1-CB 4.1Å; L2101-L2139 HydrophobicContact CD1-CD1 4.13Å; L2101-L2139 HydrophobicContact CD1-CD2 4.06Å; L2101-L2139 HydrophobicContact CD1-CG 4.33Å; L2101-L2139 HydrophobicContact CG-CB 4.49Å; L2101-L2139 HydrophobicContact CG-CD2 4.44Å; T2103-L2139 HydrophobicContact CG2-CB 4.25Å; T2103-L2139 HydrophobicContact CG2-CD2 3.52Å; T2103-L2139 VanDerWaalsContact CG2-CD2 3.46Å; T2103-L2139 HydrophobicContact CG2-CG 3.78Å; T2103-L2139 WeakPolarHBondContact OG1-CD2 3.19Å; D2137-L2139 PolarHBondContact O-N 3Å; D2137-L2139 VanDerWaalsContact O-N 3.13Å |
| 2140 | Y | 79 | Confident | 69.4 | Low | 100.2 Ų | 100.2 | 62.6 Ų | 62.6 | 39% | 0.393 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 138.5 | 174.5 | -63.9 | -79.5 | 0 | 0 | 0 | 110.5 | Q2032 L2101 F2102 T2138 L2142 | Q2032-Y2140 VanDerWaalsContact NE2-CD1 3.25Å; L2101-Y2140 CarbonylContact C-O 3.56Å; L2101-Y2140 VanDerWaalsContact CA-O 3.23Å; L2101-Y2140 WeakPolarHBondContact CA-O 3.24Å; F2102-Y2140 WeakPolarHBondContact CD1-O 3.31Å; F2102-Y2140 VanDerWaalsContact CE1-CB 3.47Å; F2102-Y2140 HydrophobicContact CE1-CG 4.36Å; F2102-Y2140 HydrophobicContact CE2-CD2 4.29Å; F2102-Y2140 HydrophobicContact CE2-CG 4.35Å; F2102-Y2140 HydrophobicContact CZ-CD2 4.25Å; F2102-Y2140 HydrophobicContact CZ-CG 4.26Å; F2102-Y2140 PolarHBondContact N-O 3.29Å; F2102-Y2140 PolarHBondContact O-N 3.24Å; T2138-Y2140 HydrophobicContact CG2-CE1 4.02Å; T2138-Y2140 HydrophobicContact CG2-CE2 4.17Å; T2138-Y2140 VanDerWaalsContact O-CD2 3.28Å; T2138-Y2140 WeakPolarHBondContact O-CD2 3.39Å; T2138-Y2140 WeakPolarHBondContact O-CE2 3.36Å; T2138-Y2140 PolarHBondContact O-N 3.07Å; T2138-Y2140 PolarHBondContact OG1-OH 3.37Å; Y2140-L2142 PolarHBondContact O-N 3.24Å |
| 2141 | Y | 81.9 | Confident | 71.6 | Confident | 125.8 Ų | 125.8 | 57.8 Ų | 57.8 | 49% | 0.493 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.4 | 127.3 | 171.2 | 176.6 | -92.5 | 0 | 0 | 0 | 110 | S2099 D2143 Y2144 | S2099-Y2141 WeakPolarHBondContact OG-CE2 3.23Å; Y2141-D2143 WeakPolarHBondContact CE2-O 3.45Å; Y2141-D2143 VanDerWaalsContact OH-C 3.29Å; Y2141-D2143 WeakPolarHBondContact OH-CA 3.42Å; Y2141-Y2144 PolarHBondContact OH-N 3.4Å |
| 2142 | L | 81.8 | Confident | 73.6 | Confident | 13.8 Ų | 13.8 | 57 Ų | 57 | 7% | 0.072 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | -65.4 | 175.3 | -172.7 | 69.6 | 0 | 0 | 0 | 110.3 | L2021 S2024 I2025 A2028 I2052 A2100 F2102 Y2140 | L2021-L2142 HydrophobicContact CB-CD2 4.12Å; L2021-L2142 HydrophobicContact CD1-CD2 4.24Å; L2021-L2142 HydrophobicContact CD2-CD2 4.05Å; L2021-L2142 HydrophobicContact CD2-CG 4.27Å; L2021-L2142 HydrophobicContact CG-CD2 4.36Å; S2024-L2142 WeakPolarHBondContact O-CD1 3.45Å; I2025-L2142 HydrophobicContact CB-CD1 4.19Å; I2025-L2142 HydrophobicContact CB-CD2 4.47Å; I2025-L2142 HydrophobicContact CD1-CD1 3.72Å; I2025-L2142 HydrophobicContact CD1-CD2 4.4Å; I2025-L2142 HydrophobicContact CG1-CD1 4.22Å; I2025-L2142 HydrophobicContact CG1-CD2 3.83Å; I2025-L2142 HydrophobicContact CG1-CG 4.4Å; A2028-L2142 HydrophobicContact CB-CD1 3.9Å; I2052-L2142 HydrophobicContact CD1-CD2 4.43Å; I2052-L2142 HydrophobicContact CG1-CD2 4.46Å; I2052-L2142 HydrophobicContact CG2-CD2 3.84Å; A2100-L2142 HydrophobicContact CB-CB 4.34Å; A2100-L2142 HydrophobicContact CB-CD2 4.33Å; A2100-L2142 VanDerWaalsContact O-CB 3.29Å; A2100-L2142 WeakPolarHBondContact O-CB 3.39Å; A2100-L2142 PolarHBondContact O-N 3.18Å; F2102-L2142 HydrophobicContact CB-CD1 4.22Å; F2102-L2142 HydrophobicContact CD1-CB 3.95Å; F2102-L2142 HydrophobicContact CD1-CD1 3.79Å; F2102-L2142 HydrophobicContact CD1-CG 4.39Å; F2102-L2142 HydrophobicContact CE1-CD1 4.19Å; F2102-L2142 HydrophobicContact CG-CD1 4.38Å; Y2140-L2142 PolarHBondContact O-N 3.24Å |
| 2143 | D | 84.8 | Confident | 75.6 | Confident | 34.4 Ų | 34.4 | 56.7 Ų | 56.7 | 18% | 0.184 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -168 | -172 | -175 | -146.2 | -29.2 | 0 | 0 | 0 | 110.3 | L2021 S2024 S2099 A2100 Y2141 Y2149 | L2021-D2143 HydrophobicContact CD2-CB 4.1Å; S2024-D2143 WeakPolarHBondContact CB-OD2 3.41Å; S2024-D2143 PolarHBondContact OG-OD2 3.03Å; S2099-D2143 CarbonylContact C-O 3.5Å; S2099-D2143 VanDerWaalsContact CA-O 3.26Å; S2099-D2143 WeakPolarHBondContact CA-O 3.41Å; A2100-D2143 PolarHBondContact N-O 3.21Å; A2100-D2143 PolarHBondContact O-N 3.22Å; Y2141-D2143 WeakPolarHBondContact CE2-O 3.45Å; Y2141-D2143 VanDerWaalsContact OH-C 3.29Å; Y2141-D2143 WeakPolarHBondContact OH-CA 3.42Å; D2143-Y2149 HydrophobicContact CB-CE2 4.28Å; D2143-Y2149 PolarHBondContact OD1-OH 3.05Å; D2143-Y2149 PolarHBondContact OD2-OH 3.19Å; D2143-Y2149 VanDerWaalsContact OD2-OH 3.05Å |
| 2144 | Y | 86.8 | Confident | 77.2 | Confident | 66.6 Ų | 66.6 | 56.2 Ų | 56.2 | 26% | 0.261 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62 | 147.8 | 165 | -61.3 | -71.9 | 0 | 0 | 0 | 111.7 | R2020 L2021 Q2098 Y2141 L2148 Y2149 R2152 | R2020-Y2144 PolarHBondContact NH2-O 2.85Å; L2021-Y2144 WeakPolarHBondContact CD2-O 3.39Å; Q2098-Y2144 WeakPolarHBondContact O-CA 3.42Å; Y2141-Y2144 PolarHBondContact OH-N 3.4Å; Y2144-L2148 HydrophobicContact CD1-CD2 3.61Å; Y2144-L2148 HydrophobicContact CD1-CG 4.41Å; Y2144-L2148 HydrophobicContact CE1-CD2 4.27Å; Y2144-L2148 HydrophobicContact CG-CD2 4.34Å; Y2144-Y2149 HydrophobicContact CD2-CE1 4.42Å; Y2144-Y2149 HydrophobicContact CD2-CE2 4.24Å; Y2144-Y2149 HydrophobicContact CG-CE2 4.4Å; Y2144-Y2149 VanDerWaalsContact O-CD2 3.29Å; Y2144-Y2149 WeakPolarHBondContact O-CD2 3.34Å; Y2144-Y2149 VanDerWaalsContact O-CE2 3.27Å; Y2144-Y2149 WeakPolarHBondContact O-CE2 3.32Å; Y2144-R2152 VanDerWaalsContact CZ-CZ 3.45Å; Y2144-R2152 VanDerWaalsContact CZ-NH1 3.3Å; Y2144-R2152 VanDerWaalsContact CZ-NH2 3.31Å; Y2144-R2152 PolarHBondContact OH-NH1 2.8Å; Y2144-R2152 PolarHBondContact OH-NH2 3.13Å; Y2144-R2152 VanDerWaalsContact OH-NH2 3.16Å |
| 2145 | S | 89.4 | Confident | 78.8 | Confident | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 27% | 0.266 | C | S | . | . | trans | -68.2 | 156.8 | 174.2 | 55.5 | 0 | 0 | 0 | 0 | 112.3 | D2054 V2097 Q2098 W2147 L2148 Y2149 | D2054-S2145 VanDerWaalsContact OD1-CA 3.28Å; D2054-S2145 WeakPolarHBondContact OD1-CA 3.38Å; D2054-S2145 WeakPolarHBondContact OD1-CB 3.38Å; V2097-S2145 WeakPolarHBondContact O-CB 3.26Å; V2097-S2145 PolarHBondContact O-OG 3.05Å; V2097-S2145 VanDerWaalsContact O-OG 3.07Å; Q2098-S2145 VanDerWaalsContact C-OG 3.25Å; Q2098-S2145 WeakPolarHBondContact O-CB 3.46Å; Q2098-S2145 PolarHBondContact O-N 3.05Å; Q2098-S2145 PolarHBondContact O-OG 3.17Å; S2145-W2147 VanDerWaalsContact C-N 3.32Å; S2145-W2147 PolarHBondContact O-N 3.18Å; S2145-W2147 PolarHBondContact OG-NE1 3.03Å; S2145-W2147 VanDerWaalsContact OG-NE1 3.11Å; S2145-L2148 PolarHBondContact O-N 3Å; S2145-L2148 VanDerWaalsContact O-N 3.15Å; S2145-L2148 WeakPolarHBondContact OG-CB 3.5Å; S2145-Y2149 WeakPolarHBondContact O-CB 3.4Å; S2145-Y2149 WeakPolarHBondContact O-CD2 3.41Å; S2145-Y2149 PolarHBondContact O-N 3.19Å | ||
| 2146 | S | 87.2 | Confident | 80.5 | Confident | 17 Ų | 17 | 51.3 Ų | 51.3 | 12% | 0.119 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -58.6 | -38.5 | -174 | -75.9 | 0 | 0 | 0 | 0 | 114 | H2019 R2020 D2054 Y2055 Y2149 K2150 | H2019-S2146 PolarHBondContact CE1-OG 3.16Å; H2019-S2146 VanDerWaalsContact CE1-OG 3.31Å; R2020-S2146 VanDerWaalsContact CZ-CA 3.41Å; R2020-S2146 PolarHBondContact NH1-O 2.88Å; R2020-S2146 PolarHBondContact NH1-OG 3.25Å; D2054-S2146 PolarHBondContact OD1-N 3.03Å; D2054-S2146 VanDerWaalsContact OD2-CB 3.26Å; D2054-S2146 WeakPolarHBondContact OD2-CB 3.38Å; D2054-S2146 PolarHBondContact OD2-OG 2.98Å; Y2055-S2146 WeakPolarHBondContact O-CB 3.46Å; Y2055-S2146 PolarHBondContact O-N 3.08Å; Y2055-S2146 VanDerWaalsContact O-N 3.11Å; S2146-Y2149 WeakPolarHBondContact O-CB 3.18Å; S2146-Y2149 PolarHBondContact O-N 3.3Å; S2146-K2150 WeakPolarHBondContact O-CB 3.27Å; S2146-K2150 PolarHBondContact O-N 3.17Å; S2146-K2150 VanDerWaalsContact O-N 3.14Å |
| 2147 | W | 89.4 | Confident | 82.1 | Confident | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -66.3 | -42.4 | 177.8 | 77.1 | -86.1 | 0 | 0 | 0 | 112.2 | V1979 Y2055 S2057 I2060 W2091 Y2094 V2097 S2145 Y2149 K2150 L2151 | V1979-W2147 HydrophobicContact CG1-CG 4.26Å; V1979-W2147 HydrophobicContact CG2-CD2 4.07Å; V1979-W2147 HydrophobicContact CG2-CE3 4.45Å; V1979-W2147 HydrophobicContact CG2-CG 4.33Å; V1979-W2147 HydrophobicContact CG2-CZ2 4.45Å; Y2055-W2147 PolarHBondContact O-N 3.24Å; Y2055-W2147 VanDerWaalsContact O-N 3.11Å; S2057-W2147 WeakPolarHBondContact OG-CB 3.39Å; I2060-W2147 HydrophobicContact CD1-CE3 4.28Å; I2060-W2147 HydrophobicContact CD1-CZ3 4.35Å; W2091-W2147 AromaticContact CH2-CH2 3.63Å; W2091-W2147 HydrophobicContact CH2-CH2 3.63Å; W2091-W2147 HydrophobicContact CH2-CZ2 4.35Å; W2091-W2147 HydrophobicContact CH2-CZ3 4.34Å; W2091-W2147 HydrophobicContact CZ2-CH2 4.42Å; W2091-W2147 AromaticContact CZ3-CH2 3.8Å; W2091-W2147 HydrophobicContact CZ3-CH2 3.8Å; W2091-W2147 HydrophobicContact CZ3-CZ3 4.34Å; Y2094-W2147 AromaticContact CD1-CH2 3.86Å; Y2094-W2147 HydrophobicContact CD1-CH2 4.07Å; Y2094-W2147 AromaticContact CD1-CZ2 3.94Å; Y2094-W2147 HydrophobicContact CD1-CZ2 4.21Å; Y2094-W2147 HydrophobicContact CD1-CZ3 4.47Å; Y2094-W2147 HydrophobicContact CG-CH2 4.1Å; Y2094-W2147 HydrophobicContact CG-CZ2 4.42Å; V2097-W2147 HydrophobicContact CG2-CZ2 4.36Å; V2097-W2147 PolarHBondContact O-NE1 3.11Å; S2145-W2147 VanDerWaalsContact C-N 3.32Å; S2145-W2147 PolarHBondContact O-N 3.18Å; S2145-W2147 PolarHBondContact OG-NE1 3.03Å; S2145-W2147 VanDerWaalsContact OG-NE1 3.11Å; W2147-Y2149 VanDerWaalsContact C-N 3.32Å; W2147-Y2149 PolarHBondContact O-N 2.77Å; W2147-K2150 WeakPolarHBondContact O-CB 3.36Å; W2147-K2150 PolarHBondContact O-N 3.05Å; W2147-L2151 HydrophobicContact CE3-CD1 4.48Å; W2147-L2151 HydrophobicContact CZ3-CD1 4.02Å; W2147-L2151 HydrophobicContact CZ3-CD2 4.04Å; W2147-L2151 WeakPolarHBondContact O-CB 3.31Å; W2147-L2151 PolarHBondContact O-N 3.21Å; W2147-L2151 VanDerWaalsContact O-N 3.08Å |
| 2148 | L | 89 | Confident | 83.5 | Confident | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -69.7 | -37.3 | 179.9 | -177.5 | 57 | 0 | 0 | 0 | 110.7 | W2091 Q2098 Y2144 S2145 K2150 L2151 R2152 | W2091-L2148 HydrophobicContact CH2-CD1 4.03Å; W2091-L2148 HydrophobicContact CZ2-CD1 4.12Å; Q2098-L2148 HydrophobicContact CB-CD2 3.88Å; Y2144-L2148 HydrophobicContact CD1-CD2 3.61Å; Y2144-L2148 HydrophobicContact CD1-CG 4.41Å; Y2144-L2148 HydrophobicContact CE1-CD2 4.27Å; Y2144-L2148 HydrophobicContact CG-CD2 4.34Å; S2145-L2148 PolarHBondContact O-N 3Å; S2145-L2148 VanDerWaalsContact O-N 3.15Å; S2145-L2148 WeakPolarHBondContact OG-CB 3.5Å; L2148-K2150 VanDerWaalsContact C-N 3.3Å; L2148-K2150 PolarHBondContact O-N 2.85Å; L2148-L2151 HydrophobicContact CD1-CB 4.45Å; L2148-L2151 HydrophobicContact CD1-CD2 4.02Å; L2148-L2151 WeakPolarHBondContact O-CB 3.36Å; L2148-L2151 PolarHBondContact O-N 3.03Å; L2148-R2152 HydrophobicContact CD1-CG 4.29Å; L2148-R2152 HydrophobicContact CG-CG 4.42Å; L2148-R2152 WeakPolarHBondContact O-CB 3.35Å; L2148-R2152 VanDerWaalsContact O-CG 3.25Å; L2148-R2152 WeakPolarHBondContact O-CG 3.4Å; L2148-R2152 PolarHBondContact O-N 3.24Å |
| 2149 | Y | 86.4 | Confident | 84.1 | Confident | 57.6 Ų | 57.6 | 36.5 Ų | 36.5 | 23% | 0.226 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -56.4 | -47.6 | 170.7 | -110.5 | -68.9 | 0 | 0 | 0 | 112.2 | L2021 S2024 D2143 Y2144 S2145 S2146 W2147 L2151 R2152 E2153 | L2021-Y2149 HydrophobicContact CD2-CD2 4.04Å; L2021-Y2149 HydrophobicContact CD2-CE2 3.89Å; S2024-Y2149 PolarHBondContact OG-OH 3.37Å; D2143-Y2149 HydrophobicContact CB-CE2 4.28Å; D2143-Y2149 PolarHBondContact OD1-OH 3.05Å; D2143-Y2149 PolarHBondContact OD2-OH 3.19Å; D2143-Y2149 VanDerWaalsContact OD2-OH 3.05Å; Y2144-Y2149 HydrophobicContact CD2-CE1 4.42Å; Y2144-Y2149 HydrophobicContact CD2-CE2 4.24Å; Y2144-Y2149 HydrophobicContact CG-CE2 4.4Å; Y2144-Y2149 VanDerWaalsContact O-CD2 3.29Å; Y2144-Y2149 WeakPolarHBondContact O-CD2 3.34Å; Y2144-Y2149 VanDerWaalsContact O-CE2 3.27Å; Y2144-Y2149 WeakPolarHBondContact O-CE2 3.32Å; S2145-Y2149 WeakPolarHBondContact O-CB 3.4Å; S2145-Y2149 WeakPolarHBondContact O-CD2 3.41Å; S2145-Y2149 PolarHBondContact O-N 3.19Å; S2146-Y2149 WeakPolarHBondContact O-CB 3.18Å; S2146-Y2149 PolarHBondContact O-N 3.3Å; W2147-Y2149 VanDerWaalsContact C-N 3.32Å; W2147-Y2149 PolarHBondContact O-N 2.77Å; Y2149-L2151 VanDerWaalsContact C-N 3.31Å; Y2149-L2151 PolarHBondContact O-N 3.05Å; Y2149-R2152 CarbonylContact O-C 3.45Å; Y2149-R2152 WeakPolarHBondContact O-CA 3.46Å; Y2149-R2152 WeakPolarHBondContact O-CB 3.42Å; Y2149-R2152 PolarHBondContact O-N 2.98Å; Y2149-R2152 VanDerWaalsContact O-N 3.12Å; Y2149-E2153 HydrophobicContact CD1-CG 4.25Å; Y2149-E2153 HydrophobicContact CE1-CG 3.76Å; Y2149-E2153 HydrophobicContact CE2-CG 4.27Å; Y2149-E2153 WeakPolarHBondContact O-CB 3.12Å; Y2149-E2153 WeakPolarHBondContact O-CG 3.39Å; Y2149-E2153 PolarHBondContact O-N 3.24Å; Y2149-E2153 VanDerWaalsContact O-N 3.11Å |
| 2150 | K | 84.5 | Confident | 84.1 | Confident | 76.4 Ų | 76.4 | 36.5 Ų | 36.5 | 33% | 0.332 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -63.3 | -39.6 | 177.8 | -134.7 | 152.1 | 172.2 | -178.4 | 0 | 112.1 | D2061 L2064 S2146 W2147 L2148 R2152 E2153 T2154 | D2061-K2150 HydrophobicContact CB-CD 4.3Å; D2061-K2150 HydrophobicContact CB-CG 4.4Å; D2061-K2150 VanDerWaalsContact CG-NZ 3.31Å; D2061-K2150 WeakPolarHBondContact OD1-CB 3.33Å; D2061-K2150 VanDerWaalsContact OD1-CD 3.26Å; D2061-K2150 WeakPolarHBondContact OD1-CD 3.42Å; D2061-K2150 IonicContact OD1-NZ 2.7Å; D2061-K2150 VanDerWaalsContact OD2-CD 3.25Å; D2061-K2150 WeakPolarHBondContact OD2-CD 3.38Å; D2061-K2150 WeakPolarHBondContact OD2-CE 3.22Å; D2061-K2150 WeakPolarHBondContact OD2-CG 3.33Å; D2061-K2150 IonicContact OD2-NZ 3.47Å; D2061-K2150 PolarHBondContact OD2-NZ 3.34Å; L2064-K2150 HydrophobicContact CD1-CG 4.05Å; S2146-K2150 WeakPolarHBondContact O-CB 3.27Å; S2146-K2150 PolarHBondContact O-N 3.17Å; S2146-K2150 VanDerWaalsContact O-N 3.14Å; W2147-K2150 WeakPolarHBondContact O-CB 3.36Å; W2147-K2150 PolarHBondContact O-N 3.05Å; L2148-K2150 VanDerWaalsContact C-N 3.3Å; L2148-K2150 PolarHBondContact O-N 2.85Å; K2150-R2152 VanDerWaalsContact C-N 3.28Å; K2150-R2152 PolarHBondContact O-N 3.2Å; K2150-E2153 PolarHBondContact O-N 3.17Å; K2150-T2154 HydrophobicContact CD-CG2 3.77Å; K2150-T2154 HydrophobicContact CG-CG2 4.08Å; K2150-T2154 WeakPolarHBondContact O-CB 3.41Å; K2150-T2154 VanDerWaalsContact O-CG2 3.26Å; K2150-T2154 WeakPolarHBondContact O-CG2 3.38Å; K2150-T2154 PolarHBondContact O-N 3.17Å; K2150-T2154 VanDerWaalsContact O-N 3.13Å; K2150-T2154 PolarHBondContact O-OG1 3Å |
| 2151 | L | 87.4 | Confident | 83.3 | Confident | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -60.5 | -33.9 | 173.7 | -170.6 | 86.5 | 0 | 0 | 0 | 112.3 | I2060 L2064 L2087 W2091 W2147 L2148 Y2149 W2156 P2174 I2226 | I2060-L2151 HydrophobicContact CG2-CD1 4.21Å; L2064-L2151 HydrophobicContact CD1-CB 4.26Å; L2064-L2151 HydrophobicContact CD1-CD1 3.88Å; L2064-L2151 HydrophobicContact CD2-CD1 3.98Å; L2064-L2151 HydrophobicContact CG-CD1 4.41Å; L2087-L2151 HydrophobicContact CD1-CD1 3.87Å; L2087-L2151 HydrophobicContact CD1-CD2 4.14Å; W2091-L2151 HydrophobicContact CH2-CD2 4.31Å; W2091-L2151 HydrophobicContact CZ3-CD2 4.41Å; W2147-L2151 HydrophobicContact CE3-CD1 4.48Å; W2147-L2151 HydrophobicContact CZ3-CD1 4.02Å; W2147-L2151 HydrophobicContact CZ3-CD2 4.04Å; W2147-L2151 WeakPolarHBondContact O-CB 3.31Å; W2147-L2151 PolarHBondContact O-N 3.21Å; W2147-L2151 VanDerWaalsContact O-N 3.08Å; L2148-L2151 HydrophobicContact CD1-CB 4.45Å; L2148-L2151 HydrophobicContact CD1-CD2 4.02Å; L2148-L2151 WeakPolarHBondContact O-CB 3.36Å; L2148-L2151 PolarHBondContact O-N 3.03Å; Y2149-L2151 VanDerWaalsContact C-N 3.31Å; Y2149-L2151 PolarHBondContact O-N 3.05Å; L2151-W2156 HydrophobicContact CD1-CD2 4.37Å; L2151-W2156 VanDerWaalsContact CD1-CE2 3.47Å; L2151-W2156 HydrophobicContact CD1-CH2 4.31Å; L2151-W2156 HydrophobicContact CD1-CZ2 3.7Å; L2151-W2156 VanDerWaalsContact CD1-CZ2 3.42Å; L2151-W2156 HydrophobicContact CD2-CZ2 4.12Å; L2151-W2156 HydrophobicContact CG-CZ2 3.94Å; L2151-W2156 PolarHBondContact O-NE1 3.3Å; L2151-P2174 WeakPolarHBondContact O-CG 3.22Å; L2151-I2226 HydrophobicContact CD2-CB 4.46Å; L2151-I2226 HydrophobicContact CD2-CD1 4.29Å; L2151-I2226 HydrophobicContact CD2-CG1 4.05Å; L2151-I2226 HydrophobicContact CD2-CG2 4.39Å |
| 2152 | R | 85.3 | Confident | 82 | Confident | 36.6 Ų | 36.6 | 31 Ų | 31 | 14% | 0.138 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -81.1 | -26.7 | -179.1 | -73 | -174.8 | 92.8 | -174.4 | -1.6 | 114.5 | Y2144 L2148 Y2149 K2150 C2173 P2174 V2175 K2224 S2225 I2226 | Y2144-R2152 VanDerWaalsContact CZ-CZ 3.45Å; Y2144-R2152 VanDerWaalsContact CZ-NH1 3.3Å; Y2144-R2152 VanDerWaalsContact CZ-NH2 3.31Å; Y2144-R2152 PolarHBondContact OH-NH1 2.8Å; Y2144-R2152 PolarHBondContact OH-NH2 3.13Å; Y2144-R2152 VanDerWaalsContact OH-NH2 3.16Å; L2148-R2152 HydrophobicContact CD1-CG 4.29Å; L2148-R2152 HydrophobicContact CG-CG 4.42Å; L2148-R2152 WeakPolarHBondContact O-CB 3.35Å; L2148-R2152 VanDerWaalsContact O-CG 3.25Å; L2148-R2152 WeakPolarHBondContact O-CG 3.4Å; L2148-R2152 PolarHBondContact O-N 3.24Å; Y2149-R2152 CarbonylContact O-C 3.45Å; Y2149-R2152 WeakPolarHBondContact O-CA 3.46Å; Y2149-R2152 WeakPolarHBondContact O-CB 3.42Å; Y2149-R2152 PolarHBondContact O-N 2.98Å; Y2149-R2152 VanDerWaalsContact O-N 3.12Å; K2150-R2152 VanDerWaalsContact C-N 3.28Å; K2150-R2152 PolarHBondContact O-N 3.2Å; R2152-C2173 PolarHBondContact O-SG 3.14Å; R2152-P2174 VanDerWaalsContact O-CD 3.3Å; R2152-P2174 WeakPolarHBondContact O-CD 3.27Å; R2152-V2175 HydrophobicContact CB-CG2 3.72Å; R2152-V2175 HydrophobicContact CG-CG2 4.21Å; R2152-V2175 VanDerWaalsContact O-CG2 3.28Å; R2152-V2175 WeakPolarHBondContact O-CG2 3.29Å; R2152-V2175 PolarHBondContact O-N 3.27Å; R2152-V2175 VanDerWaalsContact O-N 3.15Å; R2152-K2224 PolarHBondContact NH2-O 2.79Å; R2152-S2225 VanDerWaalsContact CD-O 3.27Å; R2152-S2225 WeakPolarHBondContact CD-O 3.37Å; R2152-S2225 PolarHBondContact NE-O 3.14Å; R2152-S2225 PolarHBondContact NH2-O 2.97Å; R2152-I2226 WeakPolarHBondContact CG-O 3.41Å; R2152-I2226 PolarHBondContact NE-O 2.96Å |
| 2153 | E | 82.7 | Confident | 80.6 | Confident | 85.4 Ų | 85.4 | 33.4 Ų | 33.4 | 40% | 0.399 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -102.6 | -7.8 | -175.5 | -68.4 | -165.1 | 165.5 | 0 | 0 | 114.4 | R2020 Y2149 K2150 C2173 | R2020-E2153 IonicContact CZ-OE1 3.55Å; R2020-E2153 IonicContact CZ-OE2 3.26Å; R2020-E2153 IonicContact NE-OE2 3.69Å; R2020-E2153 IonicContact NH1-OE1 2.9Å; R2020-E2153 PolarHBondContact NH1-OE1 3.04Å; R2020-E2153 IonicContact NH1-OE2 2.67Å; R2020-E2153 PolarHBondContact NH1-OE2 2.98Å; R2020-E2153 IonicContact NH2-OE1 3.76Å; R2020-E2153 IonicContact NH2-OE2 3.16Å; R2020-E2153 PolarHBondContact NH2-OE2 2.94Å; Y2149-E2153 HydrophobicContact CD1-CG 4.25Å; Y2149-E2153 HydrophobicContact CE1-CG 3.76Å; Y2149-E2153 HydrophobicContact CE2-CG 4.27Å; Y2149-E2153 WeakPolarHBondContact O-CB 3.12Å; Y2149-E2153 WeakPolarHBondContact O-CG 3.39Å; Y2149-E2153 PolarHBondContact O-N 3.24Å; Y2149-E2153 VanDerWaalsContact O-N 3.11Å; K2150-E2153 PolarHBondContact O-N 3.17Å; E2153-C2173 PolarHBondContact O-SG 3.25Å; E2153-C2173 VanDerWaalsContact O-SG 3.35Å |
| 2154 | T | 83 | Confident | 78.8 | Confident | 25.4 Ų | 25.4 | 37.5 Ų | 37.5 | 16% | 0.156 | 20% | 0.195 | C | C | . | . | S | Bend | trans | -93 | 140.5 | 178.2 | 47.9 | 0 | 0 | 0 | 0 | 111.2 | L2064 K2150 W2156 C2173 P2174 | L2064-T2154 HydrophobicContact CB-CG2 4.31Å; L2064-T2154 WeakPolarHBondContact CD1-OG1 3.43Å; K2150-T2154 HydrophobicContact CD-CG2 3.77Å; K2150-T2154 HydrophobicContact CG-CG2 4.08Å; K2150-T2154 WeakPolarHBondContact O-CB 3.41Å; K2150-T2154 VanDerWaalsContact O-CG2 3.26Å; K2150-T2154 WeakPolarHBondContact O-CG2 3.38Å; K2150-T2154 PolarHBondContact O-N 3.17Å; K2150-T2154 VanDerWaalsContact O-N 3.13Å; K2150-T2154 PolarHBondContact O-OG1 3Å; T2154-W2156 VanDerWaalsContact C-N 3.32Å; T2154-W2156 VanDerWaalsContact O-CD1 3.27Å; T2154-W2156 PolarHBondContact O-N 3.04Å; T2154-C2173 VanDerWaalsContact C-SG 3.56Å; T2154-C2173 WeakPolarHBondContact O-CA 3.4Å; T2154-P2174 WeakPolarHBondContact O-CD 3.47Å |
| 2155 | A | 83.1 | Confident | 77 | Confident | 35.8 Ų | 35.8 | 41.1 Ų | 41.1 | 30% | 0.296 | 22% | 0.224 | S | C | . | . | S | Bend | trans | -78.7 | 85.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | L2171 C2173 | A2155-L2171 WeakPolarHBondContact O-CB 3.28Å; A2155-C2173 VanDerWaalsContact CA-SG 3.53Å; A2155-C2173 PolarHBondContact N-SG 3.06Å; A2155-C2173 VanDerWaalsContact N-SG 3.36Å |
| 2156 | W | 86 | Confident | 74.9 | Confident | 0.4 Ų | 0.4 | 46.1 Ų | 46.1 | 0% | 0.002 | 25% | 0.25 | C | C | . | . | trans | -130.2 | -14.4 | 179.9 | 76.9 | -85.1 | 0 | 0 | 0 | 113.5 | L2064 I2067 A2080 L2083 S2084 L2087 L2151 T2154 P2158 L2171 M2172 I2226 | L2064-W2156 HydrophobicContact CD2-CB 3.65Å; L2064-W2156 VanDerWaalsContact CD2-CB 3.48Å; L2064-W2156 VanDerWaalsContact CD2-CD1 3.45Å; L2064-W2156 HydrophobicContact CD2-CD2 3.82Å; L2064-W2156 HydrophobicContact CD2-CE3 4.5Å; L2064-W2156 HydrophobicContact CD2-CG 3.34Å; L2064-W2156 VanDerWaalsContact CD2-CG 3.42Å; I2067-W2156 HydrophobicContact CG2-CB 4.25Å; A2080-W2156 HydrophobicContact CB-CE3 4.22Å; A2080-W2156 WeakPolarHBondContact CB-O 3.3Å; L2083-W2156 HydrophobicContact CB-CZ3 4.35Å; L2083-W2156 HydrophobicContact CD2-CD2 4.43Å; L2083-W2156 HydrophobicContact CD2-CE3 3.95Å; L2083-W2156 HydrophobicContact CD2-CH2 4.39Å; L2083-W2156 HydrophobicContact CD2-CZ3 4.07Å; L2083-W2156 HydrophobicContact CG-CE3 4.45Å; L2083-W2156 HydrophobicContact CG-CH2 4.49Å; L2083-W2156 HydrophobicContact CG-CZ3 4.13Å; S2084-W2156 WeakPolarHBondContact OG-CZ3 3.4Å; L2087-W2156 HydrophobicContact CD1-CH2 4.18Å; L2087-W2156 HydrophobicContact CD1-CZ2 4.48Å; L2151-W2156 HydrophobicContact CD1-CD2 4.37Å; L2151-W2156 VanDerWaalsContact CD1-CE2 3.47Å; L2151-W2156 HydrophobicContact CD1-CH2 4.31Å; L2151-W2156 HydrophobicContact CD1-CZ2 3.7Å; L2151-W2156 VanDerWaalsContact CD1-CZ2 3.42Å; L2151-W2156 HydrophobicContact CD2-CZ2 4.12Å; L2151-W2156 HydrophobicContact CG-CZ2 3.94Å; L2151-W2156 PolarHBondContact O-NE1 3.3Å; T2154-W2156 VanDerWaalsContact C-N 3.32Å; T2154-W2156 VanDerWaalsContact O-CD1 3.27Å; T2154-W2156 PolarHBondContact O-N 3.04Å; W2156-P2158 WeakPolarHBondContact O-CD 3.39Å; W2156-L2171 WeakPolarHBondContact O-CD2 3.26Å; W2156-M2172 PolarHBondContact N-O 3.26Å; W2156-I2226 HydrophobicContact CH2-CD1 4.27Å; W2156-I2226 HydrophobicContact CZ2-CD1 4.07Å | ||
| 2157 | L | 84.1 | Confident | 73 | Confident | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 123.5 | -177.5 | -89.9 | 167.4 | 0 | 0 | 0 | 110.9 | L2171 M2172 P2174 I2180 W2207 I2226 L2228 | L2157-L2171 CarbonylContact O-C 3.6Å; L2157-L2171 VanDerWaalsContact O-CA 3.31Å; L2157-L2171 WeakPolarHBondContact O-CA 3.31Å; L2157-M2172 WeakPolarHBondContact CB-O 3.36Å; L2157-M2172 PolarHBondContact N-O 3.23Å; L2157-M2172 VanDerWaalsContact N-O 3.12Å; L2157-M2172 PolarHBondContact O-N 3.13Å; L2157-M2172 VanDerWaalsContact O-N 3.09Å; L2157-P2174 HydrophobicContact CB-CG 4.1Å; L2157-P2174 HydrophobicContact CD1-CB 4.05Å; L2157-P2174 HydrophobicContact CD1-CG 3.55Å; L2157-P2174 HydrophobicContact CD2-CG 4.3Å; L2157-P2174 HydrophobicContact CG-CG 3.98Å; L2157-I2180 HydrophobicContact CD2-CG2 4.37Å; L2157-W2207 HydrophobicContact CD2-CG 4.31Å; L2157-I2226 HydrophobicContact CD1-CG2 4.06Å; L2157-L2228 HydrophobicContact CD1-CD1 4.45Å; L2157-L2228 HydrophobicContact CD1-CD2 3.95Å; L2157-L2228 HydrophobicContact CD1-CG 4.33Å |
| 2158 | P | 83 | Confident | 71.4 | Confident | 1 Ų | 1 | 52.5 Ų | 52.5 | 1% | 0.006 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 133.9 | 174.6 | 31.5 | -33.9 | 0 | 0 | 0 | 110.5 | K2077 A2080 E2081 W2156 L2171 W2207 S2208 | K2077-P2158 HydrophobicContact CB-CB 4.46Å; K2077-P2158 HydrophobicContact CD-CB 4.32Å; K2077-P2158 HydrophobicContact CG-CB 3.91Å; A2080-P2158 HydrophobicContact CB-CG 4.33Å; E2081-P2158 HydrophobicContact CG-CB 4.13Å; E2081-P2158 HydrophobicContact CG-CG 4.04Å; W2156-P2158 WeakPolarHBondContact O-CD 3.39Å; P2158-L2171 HydrophobicContact CB-CD2 4.07Å; P2158-W2207 VanDerWaalsContact O-CD1 3.29Å; P2158-S2208 VanDerWaalsContact C-OG 3.28Å; P2158-S2208 WeakPolarHBondContact CB-OG 3.34Å; P2158-S2208 VanDerWaalsContact CG-O 3.28Å; P2158-S2208 WeakPolarHBondContact CG-O 3.38Å; P2158-S2208 PolarHBondContact O-N 3.05Å; P2158-S2208 PolarHBondContact O-OG 3.32Å; P2158-S2208 VanDerWaalsContact O-OG 3.1Å |
| 2159 | I | 79.3 | Confident | 70 | Confident | 8.2 Ų | 8.2 | 54.6 Ų | 54.6 | 4% | 0.042 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 139 | -177.5 | -66.2 | 178.4 | 0 | 0 | 0 | 110.4 | S2161 Q2170 M2172 I2180 L2205 I2206 | I2159-S2161 PolarHBondContact O-N 3.32Å; I2159-Q2170 PolarHBondContact N-O 3.11Å; I2159-Q2170 VanDerWaalsContact N-O 3.16Å; I2159-M2172 HydrophobicContact CD1-CB 3.6Å; I2159-M2172 HydrophobicContact CD1-CG 3.77Å; I2159-M2172 HydrophobicContact CD1-SD 3.61Å; I2159-M2172 VanDerWaalsContact CD1-SD 3.57Å; I2159-M2172 WeakPolarHBondContact CD1-SD 3.49Å; I2159-M2172 HydrophobicContact CG1-CB 4.48Å; I2159-I2180 HydrophobicContact CD1-CD1 3.76Å; I2159-I2180 HydrophobicContact CD1-CG1 3.89Å; I2159-I2180 HydrophobicContact CD1-CG2 4.1Å; I2159-I2180 HydrophobicContact CG1-CG2 4.4Å; I2159-L2205 HydrophobicContact CD1-CB 4.42Å; I2159-L2205 HydrophobicContact CD1-CD1 4.38Å; I2159-L2205 HydrophobicContact CG2-CB 3.93Å; I2159-L2205 HydrophobicContact CG2-CD2 4.07Å; I2159-L2205 HydrophobicContact CG2-CG 4.47Å; I2159-I2206 WeakPolarHBondContact CA-O 3.47Å; I2159-I2206 WeakPolarHBondContact CG2-O 3.41Å |
| 2160 | E | 71.6 | Confident | 69.3 | Low | 82.6 Ų | 82.6 | 55.7 Ų | 55.7 | 39% | 0.386 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 112.3 | 165 | -105.5 | 174.5 | -147.1 | 0 | 0 | 108.8 | K2201 I2206 | E2160-K2201 VanDerWaalsContact OE2-CE 3.26Å; E2160-K2201 WeakPolarHBondContact OE2-CE 3.34Å; E2160-K2201 IonicContact OE2-NZ 3.5Å; E2160-K2201 PolarHBondContact OE2-NZ 2.9Å; E2160-I2206 PolarHBondContact N-O 3.25Å |
| 2161 | S | 62 | Low | 69 | Low | 33.4 Ų | 33.4 | 53.7 Ų | 53.7 | 23% | 0.234 | 31% | 0.306 | C | S | . | . | trans | -119.1 | 126.8 | 168.6 | 103 | 0 | 0 | 0 | 0 | 109.7 | I2159 T2163 L2164 | I2159-S2161 PolarHBondContact O-N 3.32Å; S2161-T2163 VanDerWaalsContact C-N 3.34Å; S2161-T2163 PolarHBondContact OG-OG1 2.96Å; S2161-T2163 VanDerWaalsContact OG-OG1 3.1Å; S2161-L2164 PolarHBondContact OG-N 3.45Å; S2161-L2164 PolarHBondContact OG-O 3.25Å | ||
| 2162 | T | 55.5 | Low | 68.5 | Low | 76.2 Ų | 76.2 | 54.6 Ų | 54.6 | 47% | 0.467 | 31% | 0.31 | S | S | . | . | trans | -91.8 | -10.1 | 173.4 | 45.2 | 0 | 0 | 0 | 0 | 112.9 | L2164 K2201 D2202 | T2162-L2164 VanDerWaalsContact C-N 3.34Å; T2162-L2164 PolarHBondContact O-N 3.23Å; T2162-L2164 VanDerWaalsContact O-N 3.11Å; T2162-K2201 PolarHBondContact OG1-O 3.06Å; T2162-D2202 WeakPolarHBondContact CB-OD1 3.49Å; T2162-D2202 VanDerWaalsContact OG1-CA 3.31Å; T2162-D2202 WeakPolarHBondContact OG1-CA 3.21Å; T2162-D2202 PolarHBondContact OG1-OD1 3.04Å | ||
| 2163 | T | 52.9 | Low | 68.3 | Low | 63.4 Ų | 63.4 | 53.7 Ų | 53.7 | 39% | 0.389 | 31% | 0.31 | S | S | . | . | S | Bend | trans | -82.7 | 20.1 | -177.7 | 52.5 | 0 | 0 | 0 | 0 | 113.4 | S2161 T2165 L2166 D2202 | S2161-T2163 VanDerWaalsContact C-N 3.34Å; S2161-T2163 PolarHBondContact OG-OG1 2.96Å; S2161-T2163 VanDerWaalsContact OG-OG1 3.1Å; T2163-T2165 PolarHBondContact O-N 3.2Å; T2163-L2166 PolarHBondContact O-N 3.16Å; T2163-D2202 WeakPolarHBondContact CG2-O 3.3Å |
| 2164 | L | 47 | Very low | 68 | Low | 122.4 Ų | 122.4 | 50.1 Ų | 50.1 | 64% | 0.641 | 29% | 0.293 | S | S | * | . | S | Bend | trans | -71 | 84.6 | 178.9 | -78.8 | 161.6 | 0 | 0 | 0 | 111.6 | S2161 T2162 L2166 | S2161-L2164 PolarHBondContact OG-N 3.45Å; S2161-L2164 PolarHBondContact OG-O 3.25Å; T2162-L2164 VanDerWaalsContact C-N 3.34Å; T2162-L2164 PolarHBondContact O-N 3.23Å; T2162-L2164 VanDerWaalsContact O-N 3.11Å; L2164-L2166 CarbonylContact C-O 3.57Å; L2164-L2166 HydrophobicContact CB-CD1 3.85Å; L2164-L2166 HydrophobicContact CB-CG 4.04Å; L2164-L2166 WeakPolarHBondContact CB-O 3.49Å; L2164-L2166 HydrophobicContact CD1-CD1 4.23Å; L2164-L2166 CarbonylContact O-C 3.57Å; L2164-L2166 PolarHBondContact O-N 2.97Å |
| 2165 | T | 48.5 | Very low | 67.4 | Low | 141 Ų | 141 | 52.5 Ų | 52.5 | 87% | 0.865 | 31% | 0.308 | S | S | * | . | S | Bend | trans | -71.4 | -7.7 | 179.8 | 45.4 | 0 | 0 | 0 | 0 | 114.4 | T2163 S2167 | T2163-T2165 PolarHBondContact O-N 3.2Å; T2165-S2167 PolarHBondContact O-N 3.07Å |
| 2166 | L | 44.7 | Very low | 66.4 | Low | 105.4 Ų | 105.4 | 54.1 Ų | 54.1 | 55% | 0.552 | 31% | 0.312 | S | S | * | . | S | Bend | trans | -103.3 | 113.9 | 167.6 | -69.8 | 135.6 | 0 | 0 | 0 | 108.4 | T2163 L2164 S2168 | T2163-L2166 PolarHBondContact O-N 3.16Å; L2164-L2166 CarbonylContact C-O 3.57Å; L2164-L2166 HydrophobicContact CB-CD1 3.85Å; L2164-L2166 HydrophobicContact CB-CG 4.04Å; L2164-L2166 WeakPolarHBondContact CB-O 3.49Å; L2164-L2166 HydrophobicContact CD1-CD1 4.23Å; L2164-L2166 CarbonylContact O-C 3.57Å; L2164-L2166 PolarHBondContact O-N 2.97Å; L2166-S2168 VanDerWaalsContact C-N 3.3Å; L2166-S2168 PolarHBondContact O-N 3.01Å |
| 2167 | S | 48 | Very low | 65.1 | Low | 96.2 Ų | 96.2 | 59.6 Ų | 59.6 | 67% | 0.673 | 35% | 0.35 | S | S | * | . | trans | -57.3 | 87.5 | 169.7 | 54.5 | 0 | 0 | 0 | 0 | 111.2 | K2073 T2165 N2169 Q2170 | K2073-S2167 PolarHBondContact NZ-OG 3.45Å; K2073-S2167 VanDerWaalsContact NZ-OG 3.1Å; T2165-S2167 PolarHBondContact O-N 3.07Å; S2167-N2169 PolarHBondContact O-N 3.08Å; S2167-Q2170 PolarHBondContact O-N 2.96Å; S2167-Q2170 VanDerWaalsContact O-N 3.13Å | ||
| 2168 | S | 54.7 | Low | 64.3 | Low | 54.2 Ų | 54.2 | 64.6 Ų | 64.6 | 38% | 0.379 | 37% | 0.373 | S | S | . | . | trans | -85 | 72.9 | -179.3 | 71 | 0 | 0 | 0 | 0 | 112.1 | K2073 K2077 L2166 Q2170 | K2073-S2168 PolarHBondContact NZ-OG 3.17Å; K2077-S2168 PolarHBondContact NZ-O 2.79Å; L2166-S2168 VanDerWaalsContact C-N 3.3Å; L2166-S2168 PolarHBondContact O-N 3.01Å; S2168-Q2170 PolarHBondContact O-N 3.12Å | ||
| 2169 | N | 60.7 | Low | 63.7 | Low | 44 Ų | 44 | 67.8 Ų | 67.8 | 24% | 0.235 | 39% | 0.389 | C | S | . | . | trans | -79.4 | 96.3 | 170.8 | -63.8 | -40.5 | 0 | 0 | 0 | 109.3 | K2073 L2074 K2077 S2167 | K2073-N2169 HydrophobicContact CB-CB 3.99Å; K2073-N2169 WeakPolarHBondContact CB-O 3.13Å; K2073-N2169 WeakPolarHBondContact CD-O 3.45Å; L2074-N2169 VanDerWaalsContact CD2-ND2 3.28Å; L2074-N2169 WeakPolarHBondContact CD2-ND2 3.4Å; K2077-N2169 HydrophobicContact CB-CB 4.39Å; K2077-N2169 HydrophobicContact CD-CB 4.06Å; K2077-N2169 VanDerWaalsContact CD-CG 3.43Å; K2077-N2169 WeakPolarHBondContact CD-OD1 3.35Å; K2077-N2169 PolarHBondContact NZ-OD1 3.2Å; K2077-N2169 VanDerWaalsContact NZ-OD1 3.13Å; S2167-N2169 PolarHBondContact O-N 3.08Å | ||
| 2170 | Q | 70.8 | Confident | 63.7 | Low | 82.4 Ų | 82.4 | 67.7 Ų | 67.7 | 39% | 0.385 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 134.2 | 177.4 | -172.4 | 165.7 | -11 | 0 | 0 | 109.6 | I2159 S2167 S2168 M2172 | I2159-Q2170 PolarHBondContact N-O 3.11Å; I2159-Q2170 VanDerWaalsContact N-O 3.16Å; S2167-Q2170 PolarHBondContact O-N 2.96Å; S2167-Q2170 VanDerWaalsContact O-N 3.13Å; S2168-Q2170 PolarHBondContact O-N 3.12Å; Q2170-M2172 HydrophobicContact CG-CG 4.27Å |
| 2171 | L | 77.8 | Confident | 64.2 | Low | 34 Ų | 34 | 63.9 Ų | 63.9 | 18% | 0.178 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 134.6 | 169 | -56.6 | 178.7 | 0 | 0 | 0 | 108.1 | I2067 K2077 A2080 A2155 W2156 L2157 P2158 | I2067-L2171 HydrophobicContact CG2-CD1 3.63Å; K2077-L2171 HydrophobicContact CB-CD2 4.44Å; A2080-L2171 HydrophobicContact CB-CD1 4.48Å; A2080-L2171 HydrophobicContact CB-CD2 4.19Å; A2155-L2171 WeakPolarHBondContact O-CB 3.28Å; W2156-L2171 WeakPolarHBondContact O-CD2 3.26Å; L2157-L2171 CarbonylContact O-C 3.6Å; L2157-L2171 VanDerWaalsContact O-CA 3.31Å; L2157-L2171 WeakPolarHBondContact O-CA 3.31Å; P2158-L2171 HydrophobicContact CB-CD2 4.07Å |
| 2172 | M | 78.6 | Confident | 65.1 | Low | 19.4 Ų | 19.4 | 62.3 Ų | 62.3 | 10% | 0.096 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 161.6 | 178.2 | -67.2 | -170.6 | 64.9 | 0 | 0 | 112 | W2156 L2157 I2159 Q2170 D2176 H2178 I2180 L2205 | W2156-M2172 PolarHBondContact N-O 3.26Å; L2157-M2172 WeakPolarHBondContact CB-O 3.36Å; L2157-M2172 PolarHBondContact N-O 3.23Å; L2157-M2172 VanDerWaalsContact N-O 3.12Å; L2157-M2172 PolarHBondContact O-N 3.13Å; L2157-M2172 VanDerWaalsContact O-N 3.09Å; I2159-M2172 HydrophobicContact CD1-CB 3.6Å; I2159-M2172 HydrophobicContact CD1-CG 3.77Å; I2159-M2172 HydrophobicContact CD1-SD 3.61Å; I2159-M2172 VanDerWaalsContact CD1-SD 3.57Å; I2159-M2172 WeakPolarHBondContact CD1-SD 3.49Å; I2159-M2172 HydrophobicContact CG1-CB 4.48Å; Q2170-M2172 HydrophobicContact CG-CG 4.27Å; M2172-D2176 HydrophobicContact CE-CB 4.27Å; M2172-D2176 WeakPolarHBondContact CE-OD2 3.45Å; M2172-H2178 HydrophobicContact CE-CB 4.06Å; M2172-H2178 VanDerWaalsContact CE-CD2 3.43Å; M2172-H2178 WeakPolarHBondContact CE-CD2 3.46Å; M2172-I2180 HydrophobicContact CB-CD1 4.34Å; M2172-L2205 HydrophobicContact CE-CD1 4.22Å; M2172-L2205 HydrophobicContact SD-CD1 3.91Å |
| 2173 | C | 81 | Confident | 66.1 | Low | 17.8 Ų | 17.8 | 60.6 Ų | 60.6 | 12% | 0.12 | 35% | 0.349 | C | S | . | . | trans | -80.3 | 132.8 | 175.2 | -64 | 0 | 0 | 0 | 0 | 109.4 | R2152 E2153 T2154 A2155 V2175 D2176 I2180 | R2152-C2173 PolarHBondContact O-SG 3.14Å; E2153-C2173 PolarHBondContact O-SG 3.25Å; E2153-C2173 VanDerWaalsContact O-SG 3.35Å; T2154-C2173 VanDerWaalsContact C-SG 3.56Å; T2154-C2173 WeakPolarHBondContact O-CA 3.4Å; A2155-C2173 VanDerWaalsContact CA-SG 3.53Å; A2155-C2173 PolarHBondContact N-SG 3.06Å; A2155-C2173 VanDerWaalsContact N-SG 3.36Å; C2173-V2175 PolarHBondContact O-N 3.15Å; C2173-V2175 VanDerWaalsContact O-N 3.11Å; C2173-D2176 HydrophobicContact CB-CB 4.15Å; C2173-D2176 VanDerWaalsContact CB-CG 3.47Å; C2173-D2176 WeakPolarHBondContact CB-OD1 3.37Å; C2173-D2176 WeakPolarHBondContact CB-OD2 3.35Å; C2173-D2176 PolarHBondContact N-OD2 3.2Å; C2173-D2176 VanDerWaalsContact N-OD2 3.08Å; C2173-D2176 WeakPolarHBondContact O-CB 3.24Å; C2173-D2176 PolarHBondContact O-N 3.06Å; C2173-D2176 VanDerWaalsContact O-N 3.12Å; C2173-D2176 PolarHBondContact SG-OD1 2.93Å; C2173-D2176 PolarHBondContact SG-OD2 2.75Å; C2173-I2180 VanDerWaalsContact O-CD1 3.32Å; C2173-I2180 WeakPolarHBondContact O-CD1 3.37Å | ||
| 2174 | P | 76.2 | Confident | 67.1 | Low | 8 Ų | 8 | 59.9 Ų | 59.9 | 5% | 0.052 | 35% | 0.347 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.9 | -27.9 | 175.3 | -26.3 | 29.2 | 0 | 0 | 0 | 115.7 | L2151 R2152 T2154 L2157 I2226 | L2151-P2174 WeakPolarHBondContact O-CG 3.22Å; R2152-P2174 VanDerWaalsContact O-CD 3.3Å; R2152-P2174 WeakPolarHBondContact O-CD 3.27Å; T2154-P2174 WeakPolarHBondContact O-CD 3.47Å; L2157-P2174 HydrophobicContact CB-CG 4.1Å; L2157-P2174 HydrophobicContact CD1-CB 4.05Å; L2157-P2174 HydrophobicContact CD1-CG 3.55Å; L2157-P2174 HydrophobicContact CD2-CG 4.3Å; L2157-P2174 HydrophobicContact CG-CG 3.98Å; P2174-I2226 HydrophobicContact CB-CG2 3.65Å; P2174-I2226 VanDerWaalsContact CB-O 3.3Å; P2174-I2226 WeakPolarHBondContact CB-O 3.37Å; P2174-I2226 HydrophobicContact CG-CG2 3.69Å |
| 2175 | V | 70.1 | Confident | 68.5 | Low | 76.4 Ų | 76.4 | 54.3 Ų | 54.3 | 46% | 0.463 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.1 | 12.7 | -176.2 | -171.3 | 0 | 0 | 0 | 0 | 112.4 | R2152 C2173 | R2152-V2175 HydrophobicContact CB-CG2 3.72Å; R2152-V2175 HydrophobicContact CG-CG2 4.21Å; R2152-V2175 VanDerWaalsContact O-CG2 3.28Å; R2152-V2175 WeakPolarHBondContact O-CG2 3.29Å; R2152-V2175 PolarHBondContact O-N 3.27Å; R2152-V2175 VanDerWaalsContact O-N 3.15Å; C2173-V2175 PolarHBondContact O-N 3.15Å; C2173-V2175 VanDerWaalsContact O-N 3.11Å |
| 2176 | D | 62 | Low | 69.8 | Low | 70.6 Ų | 70.6 | 47.7 Ų | 47.7 | 38% | 0.378 | 28% | 0.278 | S | S | . | . | S | Bend | trans | -59.7 | 160.5 | 171.7 | -92 | -20.1 | 0 | 0 | 0 | 110.8 | M2172 C2173 H2178 | M2172-D2176 HydrophobicContact CE-CB 4.27Å; M2172-D2176 WeakPolarHBondContact CE-OD2 3.45Å; C2173-D2176 HydrophobicContact CB-CB 4.15Å; C2173-D2176 VanDerWaalsContact CB-CG 3.47Å; C2173-D2176 WeakPolarHBondContact CB-OD1 3.37Å; C2173-D2176 WeakPolarHBondContact CB-OD2 3.35Å; C2173-D2176 PolarHBondContact N-OD2 3.2Å; C2173-D2176 VanDerWaalsContact N-OD2 3.08Å; C2173-D2176 WeakPolarHBondContact O-CB 3.24Å; C2173-D2176 PolarHBondContact O-N 3.06Å; C2173-D2176 VanDerWaalsContact O-N 3.12Å; C2173-D2176 PolarHBondContact SG-OD1 2.93Å; C2173-D2176 PolarHBondContact SG-OD2 2.75Å; D2176-H2178 PolarHBondContact O-N 3.05Å |
| 2177 | S | 58.8 | Low | 71.2 | Confident | 114.4 Ų | 114.4 | 49.3 Ų | 49.3 | 80% | 0.8 | 28% | 0.277 | S | S | * | . | S | Bend | trans | -58.9 | -4 | 178.1 | 55.2 | 0 | 0 | 0 | 0 | 114.7 | ||
| 2178 | H | 66.3 | Low | 72.4 | Confident | 104.6 Ų | 104.6 | 50 Ų | 50 | 48% | 0.484 | 27% | 0.27 | S | S | . | . | S | Bend | trans | -97.5 | 130 | 179.2 | -59.3 | -70.4 | 0 | 0 | 0 | 110.9 | M2172 D2176 I2180 L2205 | M2172-H2178 HydrophobicContact CE-CB 4.06Å; M2172-H2178 VanDerWaalsContact CE-CD2 3.43Å; M2172-H2178 WeakPolarHBondContact CE-CD2 3.46Å; D2176-H2178 PolarHBondContact O-N 3.05Å; H2178-I2180 PolarHBondContact O-N 3.25Å; H2178-I2180 VanDerWaalsContact O-N 3.12Å; H2178-L2205 HydrophobicContact CB-CD1 3.78Å |
| 2179 | M | 72.1 | Confident | 73.3 | Confident | 70 Ų | 70 | 47.5 Ų | 47.5 | 35% | 0.345 | 25% | 0.252 | S | S | . | . | trans | -71.4 | 108.2 | 178.6 | -69.5 | -177.2 | 128.5 | 0 | 0 | 110.9 | Y2181 I2229 D2233 S2235 A2239 | M2179-Y2181 HydrophobicContact CB-CE2 3.8Å; M2179-Y2181 HydrophobicContact CE-CE1 4.49Å; M2179-Y2181 WeakPolarHBondContact CE-OH 3.37Å; M2179-Y2181 VanDerWaalsContact O-CD2 3.3Å; M2179-Y2181 WeakPolarHBondContact O-CD2 3.4Å; M2179-Y2181 VanDerWaalsContact O-CE2 3.27Å; M2179-Y2181 WeakPolarHBondContact O-CE2 3.27Å; M2179-Y2181 PolarHBondContact SD-OH 3.38Å; M2179-I2229 HydrophobicContact CB-CD1 3.67Å; M2179-I2229 VanDerWaalsContact CB-CD1 3.5Å; M2179-I2229 HydrophobicContact CE-CD1 3.48Å; M2179-I2229 HydrophobicContact CG-CD1 3.9Å; M2179-I2229 HydrophobicContact SD-CD1 4.4Å; M2179-D2233 WeakPolarHBondContact CE-OD1 3.43Å; M2179-S2235 VanDerWaalsContact CE-CB 3.45Å; M2179-S2235 VanDerWaalsContact CE-OG 3.24Å; M2179-S2235 WeakPolarHBondContact CE-OG 3.34Å; M2179-S2235 PolarHBondContact SD-OG 3.19Å; M2179-A2239 HydrophobicContact SD-CB 4.4Å | ||
| 2180 | I | 78.6 | Confident | 74.2 | Confident | 4.8 Ų | 4.8 | 49.8 Ų | 49.8 | 3% | 0.025 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 123.1 | 176.4 | -52.7 | 165.3 | 0 | 0 | 0 | 109.3 | L2157 I2159 M2172 C2173 H2178 W2207 L2228 I2229 | L2157-I2180 HydrophobicContact CD2-CG2 4.37Å; I2159-I2180 HydrophobicContact CD1-CD1 3.76Å; I2159-I2180 HydrophobicContact CD1-CG1 3.89Å; I2159-I2180 HydrophobicContact CD1-CG2 4.1Å; I2159-I2180 HydrophobicContact CG1-CG2 4.4Å; M2172-I2180 HydrophobicContact CB-CD1 4.34Å; C2173-I2180 VanDerWaalsContact O-CD1 3.32Å; C2173-I2180 WeakPolarHBondContact O-CD1 3.37Å; H2178-I2180 PolarHBondContact O-N 3.25Å; H2178-I2180 VanDerWaalsContact O-N 3.12Å; I2180-W2207 HydrophobicContact CG2-CB 4.21Å; I2180-L2228 HydrophobicContact CB-CD2 3.89Å; I2180-L2228 HydrophobicContact CG2-CD2 3.47Å; I2180-L2228 VanDerWaalsContact CG2-CD2 3.47Å; I2180-I2229 PolarHBondContact O-N 3.26Å |
| 2181 | Y | 81.4 | Confident | 74.4 | Confident | 2.8 Ų | 2.8 | 51.8 Ų | 51.8 | 1% | 0.011 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 145.5 | -177.2 | -63.8 | -95.5 | 0 | 0 | 0 | 111.4 | M2179 A2185 F2186 C2204 L2205 W2207 I2229 T2236 | M2179-Y2181 HydrophobicContact CB-CE2 3.8Å; M2179-Y2181 HydrophobicContact CE-CE1 4.49Å; M2179-Y2181 WeakPolarHBondContact CE-OH 3.37Å; M2179-Y2181 VanDerWaalsContact O-CD2 3.3Å; M2179-Y2181 WeakPolarHBondContact O-CD2 3.4Å; M2179-Y2181 VanDerWaalsContact O-CE2 3.27Å; M2179-Y2181 WeakPolarHBondContact O-CE2 3.27Å; M2179-Y2181 PolarHBondContact SD-OH 3.38Å; Y2181-A2185 HydrophobicContact CD1-CB 4.3Å; Y2181-F2186 VanDerWaalsContact CB-CE2 3.46Å; Y2181-F2186 AromaticContact CD1-CE1 3.83Å; Y2181-F2186 HydrophobicContact CD1-CE1 4.16Å; Y2181-F2186 HydrophobicContact CD1-CE2 4.11Å; Y2181-F2186 AromaticContact CD1-CZ 3.52Å; Y2181-F2186 HydrophobicContact CD1-CZ 3.52Å; Y2181-F2186 VanDerWaalsContact CD1-CZ 3.5Å; Y2181-F2186 HydrophobicContact CD2-CE2 4.3Å; Y2181-F2186 AromaticContact CD2-CZ 3.85Å; Y2181-F2186 HydrophobicContact CD2-CZ 3.97Å; Y2181-F2186 HydrophobicContact CE1-CE1 4.27Å; Y2181-F2186 AromaticContact CE1-CZ 3.88Å; Y2181-F2186 HydrophobicContact CE1-CZ 4.02Å; Y2181-F2186 HydrophobicContact CE2-CZ 4.34Å; Y2181-F2186 HydrophobicContact CG-CE1 4.42Å; Y2181-F2186 AromaticContact CG-CE2 3.76Å; Y2181-F2186 HydrophobicContact CG-CE2 3.76Å; Y2181-F2186 AromaticContact CG-CZ 3.5Å; Y2181-F2186 HydrophobicContact CG-CZ 3.5Å; Y2181-F2186 VanDerWaalsContact CG-CZ 3.45Å; Y2181-C2204 HydrophobicContact CD2-CB 3.77Å; Y2181-C2204 HydrophobicContact CE2-CB 3.79Å; Y2181-L2205 PolarHBondContact N-O 3.25Å; Y2181-W2207 PolarHBondContact O-N 3.05Å; Y2181-I2229 HydrophobicContact CD1-CB 3.76Å; Y2181-I2229 HydrophobicContact CD1-CD1 4.25Å; Y2181-I2229 HydrophobicContact CD1-CG2 3.67Å; Y2181-I2229 HydrophobicContact CD2-CD1 4.49Å; Y2181-I2229 HydrophobicContact CE1-CB 4.02Å; Y2181-I2229 HydrophobicContact CE1-CD1 4.07Å; Y2181-I2229 HydrophobicContact CE1-CG2 3.64Å; Y2181-I2229 HydrophobicContact CE2-CD1 4.16Å; Y2181-I2229 HydrophobicContact CG-CB 4.39Å; Y2181-T2236 HydrophobicContact CE1-CG2 3.97Å; Y2181-T2236 VanDerWaalsContact CE1-OG1 3.3Å; Y2181-T2236 WeakPolarHBondContact CE1-OG1 3.38Å; Y2181-T2236 VanDerWaalsContact OH-CA 3.3Å; Y2181-T2236 WeakPolarHBondContact OH-CA 3.41Å; Y2181-T2236 VanDerWaalsContact OH-CB 3.27Å; Y2181-T2236 WeakPolarHBondContact OH-CB 3.31Å; Y2181-T2236 WeakPolarHBondContact OH-CG2 3.32Å; Y2181-T2236 PolarHBondContact OH-OG1 3.08Å |
| 2182 | S | 81.6 | Confident | 74.4 | Confident | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 29% | 0.29 | C | S | . | . | P | Polyproline II helix | trans | -71.6 | 150.3 | 166.7 | 71.4 | 0 | 0 | 0 | 0 | 110.5 | S2184 A2185 I2229 N2230 | S2182-S2184 WeakPolarHBondContact CB-OG 3.11Å; S2182-S2184 PolarHBondContact O-N 3.24Å; S2182-S2184 VanDerWaalsContact O-N 3.14Å; S2182-S2184 PolarHBondContact OG-OG 3.29Å; S2182-A2185 VanDerWaalsContact O-CB 3.26Å; S2182-A2185 WeakPolarHBondContact O-CB 3.31Å; S2182-A2185 PolarHBondContact O-N 3.16Å; S2182-A2185 PolarHBondContact OG-N 3.4Å; S2182-I2229 PolarHBondContact N-O 3.28Å; S2182-I2229 PolarHBondContact OG-O 3.25Å; S2182-N2230 VanDerWaalsContact CB-OD1 3.27Å; S2182-N2230 WeakPolarHBondContact CB-OD1 3.39Å; S2182-N2230 WeakPolarHBondContact OG-CA 3.3Å; S2182-N2230 PolarHBondContact OG-OD1 3.09Å |
| 2183 | P | 75.5 | Confident | 74.4 | Confident | 41.4 Ų | 41.4 | 55.9 Ų | 55.9 | 27% | 0.269 | 29% | 0.294 | S | S | . | . | G | 310 helix | trans | -56 | -32.2 | 175.3 | -25.3 | 31.7 | 0 | 0 | 0 | 113.4 | A2185 I2206 W2207 P2209 L2218 | P2183-A2185 VanDerWaalsContact C-N 3.29Å; P2183-A2185 PolarHBondContact O-N 3.3Å; P2183-I2206 HydrophobicContact CG-CG2 4.34Å; P2183-W2207 HydrophobicContact CG-CE3 4.34Å; P2183-W2207 WeakPolarHBondContact CG-O 3.29Å; P2183-P2209 HydrophobicContact CG-CG 3.85Å; P2183-L2218 HydrophobicContact CB-CD1 4.13Å; P2183-L2218 HydrophobicContact CG-CD1 4.34Å |
| 2184 | S | 75.2 | Confident | 74.3 | Confident | 47.4 Ų | 47.4 | 59.1 Ų | 59.1 | 33% | 0.331 | 32% | 0.316 | S | S | . | . | G | 310 helix | trans | -73.4 | -18.3 | 177.6 | 46.4 | 0 | 0 | 0 | 0 | 114.2 | S2182 F2186 Y2187 L2218 | S2182-S2184 WeakPolarHBondContact CB-OG 3.11Å; S2182-S2184 PolarHBondContact O-N 3.24Å; S2182-S2184 VanDerWaalsContact O-N 3.14Å; S2182-S2184 PolarHBondContact OG-OG 3.29Å; S2184-F2186 VanDerWaalsContact C-N 3.26Å; S2184-F2186 PolarHBondContact O-N 3.09Å; S2184-F2186 VanDerWaalsContact O-N 3.16Å; S2184-Y2187 VanDerWaalsContact O-CB 3.28Å; S2184-Y2187 WeakPolarHBondContact O-CB 3.4Å; S2184-Y2187 PolarHBondContact O-N 3.06Å; S2184-Y2187 VanDerWaalsContact O-N 3.12Å; S2184-L2218 VanDerWaalsContact OG-CD1 3.3Å; S2184-L2218 WeakPolarHBondContact OG-CD1 3.38Å |
| 2185 | A | 75 | Confident | 74.4 | Confident | 5.6 Ų | 5.6 | 63.4 Ų | 63.4 | 5% | 0.046 | 34% | 0.335 | C | S | . | . | G | 310 helix | trans | -58.6 | -36.3 | -174 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y2181 S2182 P2183 I2229 N2230 P2232 | Y2181-A2185 HydrophobicContact CD1-CB 4.3Å; S2182-A2185 VanDerWaalsContact O-CB 3.26Å; S2182-A2185 WeakPolarHBondContact O-CB 3.31Å; S2182-A2185 PolarHBondContact O-N 3.16Å; S2182-A2185 PolarHBondContact OG-N 3.4Å; P2183-A2185 VanDerWaalsContact C-N 3.29Å; P2183-A2185 PolarHBondContact O-N 3.3Å; A2185-I2229 VanDerWaalsContact CB-O 3.31Å; A2185-I2229 WeakPolarHBondContact CB-O 3.39Å; A2185-N2230 VanDerWaalsContact CA-O 3.28Å; A2185-N2230 WeakPolarHBondContact CA-O 3.34Å; A2185-P2232 WeakPolarHBondContact O-CD 3.36Å |
| 2186 | F | 76.7 | Confident | 74.9 | Confident | 1.4 Ų | 1.4 | 59.8 Ų | 59.8 | 1% | 0.006 | 31% | 0.313 | C | S | . | . | G | 310 helix | trans | -97.1 | 4.7 | -177.5 | -54.7 | -65.1 | 0 | 0 | 0 | 113.8 | Y2181 S2184 Q2188 L2189 Q2190 F2197 L2200 C2204 I2206 P2232 T2236 | Y2181-F2186 VanDerWaalsContact CB-CE2 3.46Å; Y2181-F2186 AromaticContact CD1-CE1 3.83Å; Y2181-F2186 HydrophobicContact CD1-CE1 4.16Å; Y2181-F2186 HydrophobicContact CD1-CE2 4.11Å; Y2181-F2186 AromaticContact CD1-CZ 3.52Å; Y2181-F2186 HydrophobicContact CD1-CZ 3.52Å; Y2181-F2186 VanDerWaalsContact CD1-CZ 3.5Å; Y2181-F2186 HydrophobicContact CD2-CE2 4.3Å; Y2181-F2186 AromaticContact CD2-CZ 3.85Å; Y2181-F2186 HydrophobicContact CD2-CZ 3.97Å; Y2181-F2186 HydrophobicContact CE1-CE1 4.27Å; Y2181-F2186 AromaticContact CE1-CZ 3.88Å; Y2181-F2186 HydrophobicContact CE1-CZ 4.02Å; Y2181-F2186 HydrophobicContact CE2-CZ 4.34Å; Y2181-F2186 HydrophobicContact CG-CE1 4.42Å; Y2181-F2186 AromaticContact CG-CE2 3.76Å; Y2181-F2186 HydrophobicContact CG-CE2 3.76Å; Y2181-F2186 AromaticContact CG-CZ 3.5Å; Y2181-F2186 HydrophobicContact CG-CZ 3.5Å; Y2181-F2186 VanDerWaalsContact CG-CZ 3.45Å; S2184-F2186 VanDerWaalsContact C-N 3.26Å; S2184-F2186 PolarHBondContact O-N 3.09Å; S2184-F2186 VanDerWaalsContact O-N 3.16Å; F2186-Q2188 VanDerWaalsContact C-N 3.34Å; F2186-Q2188 PolarHBondContact O-N 3.08Å; F2186-L2189 HydrophobicContact CD1-CD1 4.14Å; F2186-L2189 CarbonylContact O-C 3.45Å; F2186-L2189 WeakPolarHBondContact O-CB 3.26Å; F2186-L2189 PolarHBondContact O-N 3.12Å; F2186-L2189 VanDerWaalsContact O-N 3.08Å; F2186-Q2190 WeakPolarHBondContact O-CB 3.38Å; F2186-Q2190 PolarHBondContact O-N 3.21Å; F2186-F2197 HydrophobicContact CB-CD2 3.66Å; F2186-F2197 HydrophobicContact CB-CE2 3.68Å; F2186-F2197 VanDerWaalsContact CB-CE2 3.49Å; F2186-F2197 HydrophobicContact CG-CD2 4.36Å; F2186-F2197 HydrophobicContact CG-CE2 4.28Å; F2186-L2200 HydrophobicContact CD1-CB 4.35Å; F2186-L2200 HydrophobicContact CD1-CD1 3.83Å; F2186-L2200 HydrophobicContact CE1-CB 4.24Å; F2186-L2200 HydrophobicContact CE1-CD1 3.96Å; F2186-L2200 HydrophobicContact CE1-CD2 4.18Å; F2186-L2200 HydrophobicContact CE1-CG 4.37Å; F2186-L2200 HydrophobicContact CG-CD1 4.45Å; F2186-L2200 HydrophobicContact CZ-CB 4.46Å; F2186-L2200 HydrophobicContact CZ-CD2 4.29Å; F2186-C2204 HydrophobicContact CE2-CB 4.27Å; F2186-C2204 HydrophobicContact CZ-CB 4.04Å; F2186-I2206 HydrophobicContact CD2-CD1 3.98Å; F2186-I2206 HydrophobicContact CD2-CG1 4.44Å; F2186-I2206 HydrophobicContact CE2-CD1 3.9Å; F2186-I2206 HydrophobicContact CE2-CG1 3.99Å; F2186-P2232 HydrophobicContact CE1-CB 4.47Å; F2186-T2236 HydrophobicContact CE1-CG2 4.33Å |
| 2187 | Y | 74.6 | Confident | 75.6 | Confident | 139.8 Ų | 139.8 | 58.4 Ų | 58.4 | 55% | 0.548 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -58.7 | -44 | -176.2 | -178.6 | -101.4 | 0 | 0 | 0 | 112.6 | S2184 L2189 Q2190 L2191 | S2184-Y2187 VanDerWaalsContact O-CB 3.28Å; S2184-Y2187 WeakPolarHBondContact O-CB 3.4Å; S2184-Y2187 PolarHBondContact O-N 3.06Å; S2184-Y2187 VanDerWaalsContact O-N 3.12Å; Y2187-L2189 VanDerWaalsContact C-N 3.31Å; Y2187-L2189 PolarHBondContact O-N 3.29Å; Y2187-Q2190 WeakPolarHBondContact O-CB 2.79Å; Y2187-Q2190 PolarHBondContact O-N 3.07Å; Y2187-L2191 HydrophobicContact CD1-CD1 4.17Å; Y2187-L2191 HydrophobicContact CE1-CD1 3.66Å; Y2187-L2191 HydrophobicContact CE1-CG 4.39Å; Y2187-L2191 WeakPolarHBondContact O-CG 3.22Å; Y2187-L2191 PolarHBondContact O-N 3.15Å; Y2187-L2191 VanDerWaalsContact O-N 3.16Å |
| 2188 | Q | 73.1 | Confident | 76.5 | Confident | 111.6 Ų | 111.6 | 58.6 Ų | 58.6 | 52% | 0.521 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -64.4 | -37.6 | 176.1 | -71.1 | -175 | -16.3 | 0 | 0 | 112.1 | F2186 L2191 Q2192 | F2186-Q2188 VanDerWaalsContact C-N 3.34Å; F2186-Q2188 PolarHBondContact O-N 3.08Å; Q2188-L2191 PolarHBondContact O-N 3Å; Q2188-Q2192 WeakPolarHBondContact O-CG 3.32Å; Q2188-Q2192 PolarHBondContact O-N 3.13Å; Q2188-Q2192 VanDerWaalsContact O-N 3.13Å |
| 2189 | L | 73.9 | Confident | 77 | Confident | 0.2 Ų | 0.2 | 54.4 Ų | 54.4 | 0% | 0.001 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -71.6 | -36.3 | 178.2 | -70.3 | 176.4 | 0 | 0 | 0 | 112.2 | F2186 Y2187 L2191 Q2192 N2193 L2196 L2200 P2232 T2269 Y2273 | F2186-L2189 HydrophobicContact CD1-CD1 4.14Å; F2186-L2189 CarbonylContact O-C 3.45Å; F2186-L2189 WeakPolarHBondContact O-CB 3.26Å; F2186-L2189 PolarHBondContact O-N 3.12Å; F2186-L2189 VanDerWaalsContact O-N 3.08Å; Y2187-L2189 VanDerWaalsContact C-N 3.31Å; Y2187-L2189 PolarHBondContact O-N 3.29Å; L2189-L2191 VanDerWaalsContact C-N 3.29Å; L2189-L2191 PolarHBondContact O-N 2.92Å; L2189-Q2192 PolarHBondContact O-N 3.12Å; L2189-Q2192 VanDerWaalsContact O-N 3.14Å; L2189-N2193 CarbonylContact O-C 3.54Å; L2189-N2193 PolarHBondContact O-N 3.1Å; L2189-L2196 HydrophobicContact CB-CD2 3.92Å; L2189-L2196 HydrophobicContact CD1-CD2 3.89Å; L2189-L2196 HydrophobicContact CD2-CD2 4.23Å; L2189-L2196 HydrophobicContact CG-CD2 4.21Å; L2189-L2200 HydrophobicContact CD1-CD1 3.69Å; L2189-P2232 HydrophobicContact CD1-CB 4.42Å; L2189-P2232 HydrophobicContact CD1-CG 3.86Å; L2189-P2232 HydrophobicContact CG-CG 4.43Å; L2189-T2269 HydrophobicContact CD2-CG2 3.57Å; L2189-T2269 VanDerWaalsContact CD2-CG2 3.47Å; L2189-Y2273 HydrophobicContact CD2-CE2 4.26Å |
| 2190 | Q | 78.3 | Confident | 77.3 | Confident | 93.4 Ų | 93.4 | 51.1 Ų | 51.1 | 44% | 0.436 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -60.4 | -39.2 | 175 | -172.5 | -179.1 | 3.8 | 0 | 0 | 112 | F2186 Y2187 Q2192 F2197 | F2186-Q2190 WeakPolarHBondContact O-CB 3.38Å; F2186-Q2190 PolarHBondContact O-N 3.21Å; Y2187-Q2190 WeakPolarHBondContact O-CB 2.79Å; Y2187-Q2190 PolarHBondContact O-N 3.07Å; Q2190-Q2192 VanDerWaalsContact C-N 3.32Å; Q2190-Q2192 PolarHBondContact O-N 3.28Å; Q2190-F2197 HydrophobicContact CB-CB 4.17Å; Q2190-F2197 HydrophobicContact CB-CD1 4.25Å; Q2190-F2197 HydrophobicContact CB-CD2 3.81Å; Q2190-F2197 HydrophobicContact CB-CE1 4.39Å; Q2190-F2197 HydrophobicContact CB-CE2 4.27Å; Q2190-F2197 HydrophobicContact CB-CG 3.82Å; Q2190-F2197 HydrophobicContact CG-CB 4.32Å; Q2190-F2197 HydrophobicContact CG-CD1 3.85Å; Q2190-F2197 HydrophobicContact CG-CD2 4.14Å; Q2190-F2197 HydrophobicContact CG-CE1 4.15Å; Q2190-F2197 HydrophobicContact CG-CE2 4.22Å; Q2190-F2197 HydrophobicContact CG-CG 3.87Å; Q2190-F2197 HydrophobicContact CG-CZ 4.37Å |
| 2191 | L | 76 | Confident | 77.1 | Confident | 124 Ų | 124 | 54.4 Ų | 54.4 | 65% | 0.649 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -69.5 | -30.9 | 176.1 | -69.8 | 173.1 | 0 | 0 | 0 | 113 | Y2187 Q2188 L2189 | Y2187-L2191 HydrophobicContact CD1-CD1 4.17Å; Y2187-L2191 HydrophobicContact CE1-CD1 3.66Å; Y2187-L2191 HydrophobicContact CE1-CG 4.39Å; Y2187-L2191 WeakPolarHBondContact O-CG 3.22Å; Y2187-L2191 PolarHBondContact O-N 3.15Å; Y2187-L2191 VanDerWaalsContact O-N 3.16Å; Q2188-L2191 PolarHBondContact O-N 3Å; L2189-L2191 VanDerWaalsContact C-N 3.29Å; L2189-L2191 PolarHBondContact O-N 2.92Å |
| 2192 | Q | 78 | Confident | 76.7 | Confident | 108.6 Ų | 108.6 | 56.6 Ų | 56.6 | 51% | 0.507 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -83.9 | -43.4 | -179.5 | -68.1 | 177.6 | -12.9 | 0 | 0 | 112.7 | Q2188 L2189 Q2190 F2265 | Q2188-Q2192 WeakPolarHBondContact O-CG 3.32Å; Q2188-Q2192 PolarHBondContact O-N 3.13Å; Q2188-Q2192 VanDerWaalsContact O-N 3.13Å; L2189-Q2192 PolarHBondContact O-N 3.12Å; L2189-Q2192 VanDerWaalsContact O-N 3.14Å; Q2190-Q2192 VanDerWaalsContact C-N 3.32Å; Q2190-Q2192 PolarHBondContact O-N 3.28Å; Q2192-F2265 HydrophobicContact CB-CE2 4.27Å; Q2192-F2265 HydrophobicContact CB-CZ 3.77Å |
| 2193 | N | 78.6 | Confident | 76.2 | Confident | 31.8 Ų | 31.8 | 57.9 Ų | 57.9 | 17% | 0.17 | 29% | 0.289 | C | S | . | . | trans | -154 | 108.7 | -178.1 | -169.3 | -34.2 | 0 | 0 | 0 | 112 | L2189 Q2195 L2196 F2197 L2262 F2265 | L2189-N2193 CarbonylContact O-C 3.54Å; L2189-N2193 PolarHBondContact O-N 3.1Å; N2193-Q2195 VanDerWaalsContact C-N 3.31Å; N2193-Q2195 PolarHBondContact O-N 3.2Å; N2193-Q2195 WeakPolarHBondContact OD1-CB 3.27Å; N2193-Q2195 PolarHBondContact OD1-N 3.11Å; N2193-L2196 HydrophobicContact CB-CB 4.12Å; N2193-L2196 PolarHBondContact O-N 2.97Å; N2193-L2196 PolarHBondContact OD1-N 3.12Å; N2193-L2196 VanDerWaalsContact OD1-N 3.1Å; N2193-F2197 PolarHBondContact O-N 3.12Å; N2193-F2197 VanDerWaalsContact O-N 3.08Å; N2193-L2262 WeakPolarHBondContact ND2-CD1 3.4Å; N2193-F2265 HydrophobicContact CB-CD1 3.94Å; N2193-F2265 HydrophobicContact CB-CE1 3.57Å; N2193-F2265 HydrophobicContact CB-CE2 4.44Å; N2193-F2265 HydrophobicContact CB-CG 4.43Å; N2193-F2265 HydrophobicContact CB-CZ 3.9Å | ||
| 2194 | S | 78.2 | Confident | 76.2 | Confident | 85 Ų | 85 | 56.4 Ų | 56.4 | 59% | 0.594 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -65.6 | -28.8 | 179.9 | 74.4 | 0 | 0 | 0 | 0 | 113.9 | K2198 | S2194-K2198 PolarHBondContact O-N 3.16Å; S2194-K2198 VanDerWaalsContact O-N 3.08Å |
| 2195 | Q | 78.2 | Confident | 76.2 | Confident | 97 Ų | 97 | 56 Ų | 56 | 45% | 0.453 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -72.5 | -42.1 | 178.2 | -63.1 | -164.6 | -20.9 | 0 | 0 | 111.2 | N2193 F2197 K2198 L2199 L2262 | N2193-Q2195 VanDerWaalsContact C-N 3.31Å; N2193-Q2195 PolarHBondContact O-N 3.2Å; N2193-Q2195 WeakPolarHBondContact OD1-CB 3.27Å; N2193-Q2195 PolarHBondContact OD1-N 3.11Å; Q2195-F2197 VanDerWaalsContact C-N 3.32Å; Q2195-F2197 PolarHBondContact O-N 3.17Å; Q2195-K2198 PolarHBondContact O-N 3.31Å; Q2195-L2199 PolarHBondContact O-N 3.28Å; Q2195-L2199 VanDerWaalsContact O-N 3.08Å; Q2195-L2262 HydrophobicContact CB-CD1 4.07Å; Q2195-L2262 HydrophobicContact CB-CD2 4.09Å |
| 2196 | L | 79.8 | Confident | 76.3 | Confident | 0.6 Ų | 0.6 | 56.4 Ų | 56.4 | 0% | 0.003 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -62.4 | -43.1 | 174.3 | 178.5 | 71.4 | 0 | 0 | 0 | 111 | L2189 N2193 K2198 L2199 L2200 L2262 F2265 I2266 | L2189-L2196 HydrophobicContact CB-CD2 3.92Å; L2189-L2196 HydrophobicContact CD1-CD2 3.89Å; L2189-L2196 HydrophobicContact CD2-CD2 4.23Å; L2189-L2196 HydrophobicContact CG-CD2 4.21Å; N2193-L2196 HydrophobicContact CB-CB 4.12Å; N2193-L2196 PolarHBondContact O-N 2.97Å; N2193-L2196 PolarHBondContact OD1-N 3.12Å; N2193-L2196 VanDerWaalsContact OD1-N 3.1Å; L2196-K2198 VanDerWaalsContact C-N 3.31Å; L2196-K2198 PolarHBondContact O-N 3.13Å; L2196-L2199 HydrophobicContact CD1-CD2 4.48Å; L2196-L2199 WeakPolarHBondContact O-CB 3.21Å; L2196-L2199 PolarHBondContact O-N 3.12Å; L2196-L2200 HydrophobicContact CD1-CD1 4.13Å; L2196-L2200 HydrophobicContact CD1-CG 4.19Å; L2196-L2200 HydrophobicContact CD2-CD1 4.18Å; L2196-L2200 HydrophobicContact CD2-CG 4.48Å; L2196-L2200 HydrophobicContact CG-CD1 3.98Å; L2196-L2200 HydrophobicContact CG-CG 4.43Å; L2196-L2200 WeakPolarHBondContact O-CG 3.4Å; L2196-L2200 PolarHBondContact O-N 3.08Å; L2196-L2262 HydrophobicContact CB-CD1 3.92Å; L2196-F2265 HydrophobicContact CB-CD1 4.4Å; L2196-F2265 HydrophobicContact CB-CE1 4.42Å; L2196-F2265 HydrophobicContact CD1-CD1 3.69Å; L2196-F2265 HydrophobicContact CD1-CE1 3.9Å; L2196-F2265 HydrophobicContact CD2-CD1 3.8Å; L2196-F2265 HydrophobicContact CD2-CE1 3.62Å; L2196-I2266 HydrophobicContact CD1-CD1 4Å; L2196-I2266 HydrophobicContact CD1-CG1 3.54Å; L2196-I2266 VanDerWaalsContact CD1-CG1 3.48Å |
| 2197 | F | 78.6 | Confident | 76.6 | Confident | 41.6 Ų | 41.6 | 56.4 Ų | 56.4 | 18% | 0.182 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -59.1 | -43.5 | 176.2 | 173.7 | -104.8 | 0 | 0 | 0 | 112.2 | F2186 Q2190 N2193 Q2195 L2199 L2200 K2201 | F2186-F2197 HydrophobicContact CB-CD2 3.66Å; F2186-F2197 HydrophobicContact CB-CE2 3.68Å; F2186-F2197 VanDerWaalsContact CB-CE2 3.49Å; F2186-F2197 HydrophobicContact CG-CD2 4.36Å; F2186-F2197 HydrophobicContact CG-CE2 4.28Å; Q2190-F2197 HydrophobicContact CB-CB 4.17Å; Q2190-F2197 HydrophobicContact CB-CD1 4.25Å; Q2190-F2197 HydrophobicContact CB-CD2 3.81Å; Q2190-F2197 HydrophobicContact CB-CE1 4.39Å; Q2190-F2197 HydrophobicContact CB-CE2 4.27Å; Q2190-F2197 HydrophobicContact CB-CG 3.82Å; Q2190-F2197 HydrophobicContact CG-CB 4.32Å; Q2190-F2197 HydrophobicContact CG-CD1 3.85Å; Q2190-F2197 HydrophobicContact CG-CD2 4.14Å; Q2190-F2197 HydrophobicContact CG-CE1 4.15Å; Q2190-F2197 HydrophobicContact CG-CE2 4.22Å; Q2190-F2197 HydrophobicContact CG-CG 3.87Å; Q2190-F2197 HydrophobicContact CG-CZ 4.37Å; N2193-F2197 PolarHBondContact O-N 3.12Å; N2193-F2197 VanDerWaalsContact O-N 3.08Å; Q2195-F2197 VanDerWaalsContact C-N 3.32Å; Q2195-F2197 PolarHBondContact O-N 3.17Å; F2197-L2199 VanDerWaalsContact C-N 3.34Å; F2197-L2199 PolarHBondContact O-N 3.18Å; F2197-L2200 PolarHBondContact O-N 3.2Å; F2197-K2201 WeakPolarHBondContact O-CB 3.22Å; F2197-K2201 PolarHBondContact O-N 3.28Å |
| 2198 | K | 77.7 | Confident | 76.8 | Confident | 119.6 Ų | 119.6 | 50 Ų | 50 | 52% | 0.52 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -60.6 | -44.9 | 175.6 | -169.6 | -179.6 | 178.9 | -172.9 | 0 | 111.5 | S2194 Q2195 L2196 L2200 K2201 D2202 H2257 | S2194-K2198 PolarHBondContact O-N 3.16Å; S2194-K2198 VanDerWaalsContact O-N 3.08Å; Q2195-K2198 PolarHBondContact O-N 3.31Å; L2196-K2198 VanDerWaalsContact C-N 3.31Å; L2196-K2198 PolarHBondContact O-N 3.13Å; K2198-L2200 VanDerWaalsContact C-N 3.32Å; K2198-L2200 PolarHBondContact O-N 3.1Å; K2198-K2201 PolarHBondContact O-N 3.06Å; K2198-K2201 VanDerWaalsContact O-N 3.15Å; K2198-D2202 VanDerWaalsContact O-CG 3.3Å; K2198-D2202 PolarHBondContact O-N 3.02Å; K2198-H2257 PolarHBondContact NZ-NE2 3.45Å |
| 2199 | L | 76.5 | Confident | 76.8 | Confident | 16.4 Ų | 16.4 | 44.9 Ų | 44.9 | 9% | 0.086 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -61.6 | -43.6 | 177.6 | -156.5 | 102.6 | 0 | 0 | 0 | 112.4 | Q2195 L2196 F2197 K2201 D2202 T2203 L2240 L2244 V2256 L2258 L2262 I2266 | Q2195-L2199 PolarHBondContact O-N 3.28Å; Q2195-L2199 VanDerWaalsContact O-N 3.08Å; L2196-L2199 HydrophobicContact CD1-CD2 4.48Å; L2196-L2199 WeakPolarHBondContact O-CB 3.21Å; L2196-L2199 PolarHBondContact O-N 3.12Å; F2197-L2199 VanDerWaalsContact C-N 3.34Å; F2197-L2199 PolarHBondContact O-N 3.18Å; L2199-K2201 VanDerWaalsContact C-N 3.35Å; L2199-D2202 CarbonylContact O-C 3.52Å; L2199-D2202 PolarHBondContact O-N 3.16Å; L2199-D2202 VanDerWaalsContact O-N 3.12Å; L2199-T2203 HydrophobicContact CD1-CG2 4.31Å; L2199-T2203 HydrophobicContact CD2-CG2 4.28Å; L2199-T2203 WeakPolarHBondContact O-CB 3.46Å; L2199-T2203 WeakPolarHBondContact O-CG2 3.4Å; L2199-T2203 PolarHBondContact O-N 3.13Å; L2199-T2203 PolarHBondContact O-OG1 3.18Å; L2199-L2240 HydrophobicContact CD2-CD1 4.07Å; L2199-L2240 HydrophobicContact CD2-CD2 4.44Å; L2199-L2240 HydrophobicContact CD2-CG 3.92Å; L2199-L2240 HydrophobicContact CG-CD1 4.17Å; L2199-L2244 HydrophobicContact CD1-CD1 4.33Å; L2199-L2244 HydrophobicContact CD1-CD2 4.01Å; L2199-L2244 HydrophobicContact CD2-CD1 4.13Å; L2199-L2244 HydrophobicContact CD2-CD2 4.21Å; L2199-L2244 HydrophobicContact CD2-CG 4.41Å; L2199-L2244 HydrophobicContact CG-CD2 4.43Å; L2199-V2256 HydrophobicContact CD1-CB 4.5Å; L2199-V2256 HydrophobicContact CD1-CG1 3.83Å; L2199-V2256 VanDerWaalsContact CD1-CG1 3.47Å; L2199-V2256 HydrophobicContact CD1-CG2 4.17Å; L2199-L2258 HydrophobicContact CD1-CD2 3.97Å; L2199-L2258 HydrophobicContact CD2-CD2 4.05Å; L2199-L2262 HydrophobicContact CD1-CD2 4.48Å; L2199-I2266 HydrophobicContact CD2-CD1 3.96Å |
| 2200 | L | 77.7 | Confident | 76.8 | Confident | 0.4 Ų | 0.4 | 45.5 Ų | 45.5 | 0% | 0.002 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -64.3 | -41.7 | 175.7 | -77.6 | 166.5 | 0 | 0 | 0 | 111.6 | F2186 L2189 L2196 F2197 K2198 D2202 T2203 C2204 T2236 L2240 | F2186-L2200 HydrophobicContact CD1-CB 4.35Å; F2186-L2200 HydrophobicContact CD1-CD1 3.83Å; F2186-L2200 HydrophobicContact CE1-CB 4.24Å; F2186-L2200 HydrophobicContact CE1-CD1 3.96Å; F2186-L2200 HydrophobicContact CE1-CD2 4.18Å; F2186-L2200 HydrophobicContact CE1-CG 4.37Å; F2186-L2200 HydrophobicContact CG-CD1 4.45Å; F2186-L2200 HydrophobicContact CZ-CB 4.46Å; F2186-L2200 HydrophobicContact CZ-CD2 4.29Å; L2189-L2200 HydrophobicContact CD1-CD1 3.69Å; L2196-L2200 HydrophobicContact CD1-CD1 4.13Å; L2196-L2200 HydrophobicContact CD1-CG 4.19Å; L2196-L2200 HydrophobicContact CD2-CD1 4.18Å; L2196-L2200 HydrophobicContact CD2-CG 4.48Å; L2196-L2200 HydrophobicContact CG-CD1 3.98Å; L2196-L2200 HydrophobicContact CG-CG 4.43Å; L2196-L2200 WeakPolarHBondContact O-CG 3.4Å; L2196-L2200 PolarHBondContact O-N 3.08Å; F2197-L2200 PolarHBondContact O-N 3.2Å; K2198-L2200 VanDerWaalsContact C-N 3.32Å; K2198-L2200 PolarHBondContact O-N 3.1Å; L2200-D2202 VanDerWaalsContact C-N 3.25Å; L2200-D2202 PolarHBondContact O-N 3.05Å; L2200-T2203 WeakPolarHBondContact CA-OG1 3.37Å; L2200-T2203 PolarHBondContact O-N 3.11Å; L2200-T2203 VanDerWaalsContact O-N 3.13Å; L2200-T2203 PolarHBondContact O-OG1 3.1Å; L2200-C2204 VanDerWaalsContact O-CB 3.23Å; L2200-C2204 WeakPolarHBondContact O-CB 3.36Å; L2200-C2204 PolarHBondContact O-N 3.07Å; L2200-T2236 HydrophobicContact CD2-CG2 4.13Å; L2200-L2240 HydrophobicContact CD2-CD1 3.69Å; L2200-L2240 VanDerWaalsContact CD2-CD1 3.42Å; L2200-L2240 HydrophobicContact CD2-CD2 4.07Å; L2200-L2240 HydrophobicContact CG-CD1 3.92Å |
| 2201 | K | 74.7 | Confident | 76.5 | Confident | 74 Ų | 74 | 45.6 Ų | 45.6 | 32% | 0.322 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -62.2 | -31.3 | 174.7 | -174 | 168.2 | -175.1 | 174 | 0 | 112.5 | E2160 T2162 F2197 K2198 L2199 T2203 I2206 | E2160-K2201 VanDerWaalsContact OE2-CE 3.26Å; E2160-K2201 WeakPolarHBondContact OE2-CE 3.34Å; E2160-K2201 IonicContact OE2-NZ 3.5Å; E2160-K2201 PolarHBondContact OE2-NZ 2.9Å; T2162-K2201 PolarHBondContact OG1-O 3.06Å; F2197-K2201 WeakPolarHBondContact O-CB 3.22Å; F2197-K2201 PolarHBondContact O-N 3.28Å; K2198-K2201 PolarHBondContact O-N 3.06Å; K2198-K2201 VanDerWaalsContact O-N 3.15Å; L2199-K2201 VanDerWaalsContact C-N 3.35Å; K2201-T2203 VanDerWaalsContact C-N 3.34Å; K2201-I2206 HydrophobicContact CB-CD1 4.2Å; K2201-I2206 HydrophobicContact CD-CD1 4.36Å; K2201-I2206 HydrophobicContact CG-CD1 4Å |
| 2202 | D | 72 | Confident | 76.5 | Confident | 48.6 Ų | 48.6 | 42.7 Ų | 42.7 | 26% | 0.26 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.3 | -4.6 | 178.4 | -68.2 | -24.6 | 0 | 0 | 0 | 114.4 | T2162 T2163 K2198 L2199 L2200 K2247 | T2162-D2202 WeakPolarHBondContact CB-OD1 3.49Å; T2162-D2202 VanDerWaalsContact OG1-CA 3.31Å; T2162-D2202 WeakPolarHBondContact OG1-CA 3.21Å; T2162-D2202 PolarHBondContact OG1-OD1 3.04Å; T2163-D2202 WeakPolarHBondContact CG2-O 3.3Å; K2198-D2202 VanDerWaalsContact O-CG 3.3Å; K2198-D2202 PolarHBondContact O-N 3.02Å; L2199-D2202 CarbonylContact O-C 3.52Å; L2199-D2202 PolarHBondContact O-N 3.16Å; L2199-D2202 VanDerWaalsContact O-N 3.12Å; L2200-D2202 VanDerWaalsContact C-N 3.25Å; L2200-D2202 PolarHBondContact O-N 3.05Å; D2202-K2247 PolarHBondContact O-NZ 3.09Å |
| 2203 | T | 71.5 | Confident | 76.4 | Confident | 27.6 Ų | 27.6 | 37.5 Ų | 37.5 | 17% | 0.169 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -124.3 | -33.3 | -177.4 | 53.6 | 0 | 0 | 0 | 0 | 113.9 | L2199 L2200 K2201 L2240 C2243 L2244 | L2199-T2203 HydrophobicContact CD1-CG2 4.31Å; L2199-T2203 HydrophobicContact CD2-CG2 4.28Å; L2199-T2203 WeakPolarHBondContact O-CB 3.46Å; L2199-T2203 WeakPolarHBondContact O-CG2 3.4Å; L2199-T2203 PolarHBondContact O-N 3.13Å; L2199-T2203 PolarHBondContact O-OG1 3.18Å; L2200-T2203 WeakPolarHBondContact CA-OG1 3.37Å; L2200-T2203 PolarHBondContact O-N 3.11Å; L2200-T2203 VanDerWaalsContact O-N 3.13Å; L2200-T2203 PolarHBondContact O-OG1 3.1Å; K2201-T2203 VanDerWaalsContact C-N 3.34Å; T2203-L2240 HydrophobicContact CG2-CD1 4.01Å; T2203-L2240 WeakPolarHBondContact OG1-CD1 3.25Å; T2203-C2243 HydrophobicContact CG2-CB 4.32Å; T2203-L2244 HydrophobicContact CG2-CD2 4.42Å |
| 2204 | C | 75.5 | Confident | 75.9 | Confident | 10.8 Ų | 10.8 | 40.5 Ų | 40.5 | 7% | 0.073 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -96.9 | 148 | -176.6 | -61.7 | 0 | 0 | 0 | 0 | 111.5 | Y2181 F2186 L2200 I2206 | Y2181-C2204 HydrophobicContact CD2-CB 3.77Å; Y2181-C2204 HydrophobicContact CE2-CB 3.79Å; F2186-C2204 HydrophobicContact CE2-CB 4.27Å; F2186-C2204 HydrophobicContact CZ-CB 4.04Å; L2200-C2204 VanDerWaalsContact O-CB 3.23Å; L2200-C2204 WeakPolarHBondContact O-CB 3.36Å; L2200-C2204 PolarHBondContact O-N 3.07Å; C2204-I2206 PolarHBondContact O-N 3.02Å |
| 2205 | L | 75.4 | Confident | 75.4 | Confident | 37 Ų | 37 | 42.8 Ų | 42.8 | 19% | 0.194 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 117.4 | 173.7 | -61 | 178.4 | 0 | 0 | 0 | 109.5 | I2159 M2172 H2178 Y2181 | I2159-L2205 HydrophobicContact CD1-CB 4.42Å; I2159-L2205 HydrophobicContact CD1-CD1 4.38Å; I2159-L2205 HydrophobicContact CG2-CB 3.93Å; I2159-L2205 HydrophobicContact CG2-CD2 4.07Å; I2159-L2205 HydrophobicContact CG2-CG 4.47Å; M2172-L2205 HydrophobicContact CE-CD1 4.22Å; M2172-L2205 HydrophobicContact SD-CD1 3.91Å; H2178-L2205 HydrophobicContact CB-CD1 3.78Å; Y2181-L2205 PolarHBondContact N-O 3.25Å |
| 2206 | I | 78.3 | Confident | 75 | Confident | 14.6 Ų | 14.6 | 40.9 Ų | 40.9 | 8% | 0.075 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 127.8 | -180 | -55.8 | -179.9 | 0 | 0 | 0 | 108.9 | I2159 E2160 P2183 F2186 K2201 C2204 S2208 | I2159-I2206 WeakPolarHBondContact CA-O 3.47Å; I2159-I2206 WeakPolarHBondContact CG2-O 3.41Å; E2160-I2206 PolarHBondContact N-O 3.25Å; P2183-I2206 HydrophobicContact CG-CG2 4.34Å; F2186-I2206 HydrophobicContact CD2-CD1 3.98Å; F2186-I2206 HydrophobicContact CD2-CG1 4.44Å; F2186-I2206 HydrophobicContact CE2-CD1 3.9Å; F2186-I2206 HydrophobicContact CE2-CG1 3.99Å; K2201-I2206 HydrophobicContact CB-CD1 4.2Å; K2201-I2206 HydrophobicContact CD-CD1 4.36Å; K2201-I2206 HydrophobicContact CG-CD1 4Å; C2204-I2206 PolarHBondContact O-N 3.02Å; I2206-S2208 PolarHBondContact O-N 3.33Å |
| 2207 | W | 81.2 | Confident | 74.6 | Confident | 1.4 Ų | 1.4 | 46.4 Ų | 46.4 | 1% | 0.005 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.3 | 129.8 | 171.6 | 171.5 | 45.3 | 0 | 0 | 0 | 109.9 | L2157 P2158 I2180 Y2181 P2183 P2209 I2213 L2218 F2222 T2223 L2228 | L2157-W2207 HydrophobicContact CD2-CG 4.31Å; P2158-W2207 VanDerWaalsContact O-CD1 3.29Å; I2180-W2207 HydrophobicContact CG2-CB 4.21Å; Y2181-W2207 PolarHBondContact O-N 3.05Å; P2183-W2207 HydrophobicContact CG-CE3 4.34Å; P2183-W2207 WeakPolarHBondContact CG-O 3.29Å; W2207-P2209 HydrophobicContact CD2-CB 3.88Å; W2207-P2209 HydrophobicContact CD2-CG 4.48Å; W2207-P2209 VanDerWaalsContact CE2-CB 3.47Å; W2207-P2209 HydrophobicContact CE3-CB 4.03Å; W2207-P2209 HydrophobicContact CE3-CG 4.47Å; W2207-P2209 HydrophobicContact CH2-CB 3.5Å; W2207-P2209 VanDerWaalsContact CH2-CB 3.48Å; W2207-P2209 HydrophobicContact CZ2-CB 3.33Å; W2207-P2209 HydrophobicContact CZ3-CB 3.86Å; W2207-P2209 WeakPolarHBondContact O-CD 3.36Å; W2207-I2213 HydrophobicContact CH2-CD1 3.95Å; W2207-I2213 HydrophobicContact CH2-CG2 4.31Å; W2207-I2213 HydrophobicContact CZ2-CD1 4.1Å; W2207-L2218 HydrophobicContact CE3-CD2 4.47Å; W2207-L2218 HydrophobicContact CH2-CD2 4.42Å; W2207-L2218 HydrophobicContact CZ3-CD2 3.74Å; W2207-F2222 HydrophobicContact CH2-CD1 4.42Å; W2207-F2222 AromaticContact CH2-CE1 3.75Å; W2207-F2222 HydrophobicContact CH2-CE1 3.75Å; W2207-F2222 HydrophobicContact CZ2-CE1 4.31Å; W2207-F2222 HydrophobicContact CZ3-CE1 4.37Å; W2207-T2223 HydrophobicContact CE3-CG2 4.35Å; W2207-T2223 HydrophobicContact CZ3-CG2 4.04Å; W2207-L2228 HydrophobicContact CB-CD1 4.3Å; W2207-L2228 HydrophobicContact CB-CD2 4.28Å; W2207-L2228 HydrophobicContact CD2-CD1 3.77Å; W2207-L2228 HydrophobicContact CE3-CD1 3.38Å; W2207-L2228 VanDerWaalsContact CE3-CD1 3.46Å; W2207-L2228 HydrophobicContact CG-CD1 4.18Å; W2207-L2228 HydrophobicContact CZ3-CD1 3.98Å |
| 2208 | S | 79.5 | Confident | 74.3 | Confident | 5.4 Ų | 5.4 | 46.5 Ų | 46.5 | 4% | 0.038 | 26% | 0.257 | C | S | . | . | trans | -102.2 | 89.1 | 178.2 | 69.3 | 0 | 0 | 0 | 0 | 109.8 | K2077 P2158 I2206 G2210 | K2077-S2208 PolarHBondContact NZ-OG 2.99Å; P2158-S2208 VanDerWaalsContact C-OG 3.28Å; P2158-S2208 WeakPolarHBondContact CB-OG 3.34Å; P2158-S2208 VanDerWaalsContact CG-O 3.28Å; P2158-S2208 WeakPolarHBondContact CG-O 3.38Å; P2158-S2208 PolarHBondContact O-N 3.05Å; P2158-S2208 PolarHBondContact O-OG 3.32Å; P2158-S2208 VanDerWaalsContact O-OG 3.1Å; I2206-S2208 PolarHBondContact O-N 3.33Å; S2208-G2210 PolarHBondContact O-N 3.29Å; S2208-G2210 VanDerWaalsContact O-N 3.08Å | ||
| 2209 | P | 72.6 | Confident | 74.2 | Confident | 4.6 Ų | 4.6 | 42.8 Ų | 42.8 | 3% | 0.03 | 24% | 0.243 | C | C | . | . | trans | -79.3 | 7.6 | -165.9 | 39.6 | -45.4 | 0 | 0 | 0 | 114 | P2183 W2207 I2213 V2214 | P2183-P2209 HydrophobicContact CG-CG 3.85Å; W2207-P2209 HydrophobicContact CD2-CB 3.88Å; W2207-P2209 HydrophobicContact CD2-CG 4.48Å; W2207-P2209 VanDerWaalsContact CE2-CB 3.47Å; W2207-P2209 HydrophobicContact CE3-CB 4.03Å; W2207-P2209 HydrophobicContact CE3-CG 4.47Å; W2207-P2209 HydrophobicContact CH2-CB 3.5Å; W2207-P2209 VanDerWaalsContact CH2-CB 3.48Å; W2207-P2209 HydrophobicContact CZ2-CB 3.33Å; W2207-P2209 HydrophobicContact CZ3-CB 3.86Å; W2207-P2209 WeakPolarHBondContact O-CD 3.36Å; P2209-I2213 HydrophobicContact CB-CB 3.75Å; P2209-I2213 HydrophobicContact CB-CD1 3.94Å; P2209-I2213 HydrophobicContact CB-CG1 4.38Å; P2209-I2213 HydrophobicContact CB-CG2 3.76Å; P2209-I2213 HydrophobicContact CG-CB 4.05Å; P2209-I2213 HydrophobicContact CG-CG2 4.01Å; P2209-V2214 HydrophobicContact CG-CG2 3.82Å | ||
| 2210 | G | 74.2 | Confident | 74.1 | Confident | 12.6 Ų | 12.6 | 45.4 Ų | 45.4 | 13% | 0.13 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | 78.8 | 167.1 | -170.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | E2081 S2208 Y2212 V2214 | E2081-G2210 VanDerWaalsContact CD-CA 3.44Å; E2081-G2210 VanDerWaalsContact OE2-CA 3.25Å; E2081-G2210 WeakPolarHBondContact OE2-CA 3.24Å; S2208-G2210 PolarHBondContact O-N 3.29Å; S2208-G2210 VanDerWaalsContact O-N 3.08Å; G2210-Y2212 VanDerWaalsContact C-N 3.3Å; G2210-Y2212 PolarHBondContact O-N 3.1Å; G2210-V2214 VanDerWaalsContact O-CG2 3.28Å; G2210-V2214 WeakPolarHBondContact O-CG2 3.29Å; G2210-V2214 PolarHBondContact O-N 3.07Å |
| 2211 | S | 73.3 | Confident | 74.1 | Confident | 95.6 Ų | 95.6 | 50 Ų | 50 | 67% | 0.669 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -64.6 | -29.4 | -174.7 | 54.6 | 0 | 0 | 0 | 0 | 114 | N2215 | S2211-N2215 WeakPolarHBondContact O-CB 3.35Å; S2211-N2215 VanDerWaalsContact O-CG 3.27Å; S2211-N2215 PolarHBondContact O-N 3.1Å; S2211-N2215 VanDerWaalsContact O-N 3.17Å; S2211-N2215 PolarHBondContact O-ND2 3.02Å; S2211-N2215 VanDerWaalsContact O-ND2 3.16Å |
| 2212 | Y | 75.4 | Confident | 74.5 | Confident | 62.8 Ų | 62.8 | 46.5 Ų | 46.5 | 25% | 0.246 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -66.2 | -52.3 | -178.5 | -179.6 | -97.8 | 0 | 0 | 0 | 112.4 | F1921 C2085 D2089 G2210 V2214 N2215 N2216 | F1921-Y2212 HydrophobicContact CD1-CD2 4.29Å; F1921-Y2212 AromaticContact CD1-CE2 3.86Å; F1921-Y2212 HydrophobicContact CD1-CE2 3.86Å; F1921-Y2212 HydrophobicContact CE1-CD1 4.41Å; F1921-Y2212 AromaticContact CE1-CD2 3.5Å; F1921-Y2212 HydrophobicContact CE1-CD2 3.5Å; F1921-Y2212 VanDerWaalsContact CE1-CD2 3.44Å; F1921-Y2212 HydrophobicContact CE1-CE1 4.4Å; F1921-Y2212 AromaticContact CE1-CE2 3.5Å; F1921-Y2212 HydrophobicContact CE1-CE2 3.5Å; F1921-Y2212 VanDerWaalsContact CE1-CE2 3.47Å; F1921-Y2212 AromaticContact CE1-CG 3.91Å; F1921-Y2212 HydrophobicContact CE1-CG 3.98Å; F1921-Y2212 AromaticContact CE1-CZ 3.93Å; F1921-Y2212 AromaticContact CZ-CD2 3.97Å; F1921-Y2212 HydrophobicContact CZ-CD2 3.97Å; F1921-Y2212 HydrophobicContact CZ-CE2 4.37Å; F1921-Y2212 HydrophobicContact CZ-CG 4.37Å; C2085-Y2212 HydrophobicContact CB-CD1 3.96Å; C2085-Y2212 HydrophobicContact CB-CE1 4.34Å; C2085-Y2212 VanDerWaalsContact SG-CD1 3.6Å; D2089-Y2212 VanDerWaalsContact OD2-CE1 3.24Å; D2089-Y2212 WeakPolarHBondContact OD2-CE1 3.3Å; D2089-Y2212 PolarHBondContact OD2-OH 3.08Å; D2089-Y2212 VanDerWaalsContact OD2-OH 3.11Å; G2210-Y2212 VanDerWaalsContact C-N 3.3Å; G2210-Y2212 PolarHBondContact O-N 3.1Å; Y2212-V2214 VanDerWaalsContact C-N 3.32Å; Y2212-V2214 PolarHBondContact O-N 3.33Å; Y2212-N2215 PolarHBondContact O-N 3.28Å; Y2212-N2215 VanDerWaalsContact O-N 3.17Å; Y2212-N2216 WeakPolarHBondContact CE1-ND2 3.22Å; Y2212-N2216 VanDerWaalsContact CZ-ND2 3.31Å; Y2212-N2216 PolarHBondContact O-N 2.84Å; Y2212-N2216 PolarHBondContact O-ND2 3.37Å; Y2212-N2216 PolarHBondContact OH-ND2 3.24Å |
| 2213 | I | 74.5 | Confident | 75 | Confident | 0.2 Ų | 0.2 | 44.2 Ų | 44.2 | 0% | 0.001 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -68.2 | -34.3 | -179.4 | -63.7 | 177.8 | 0 | 0 | 0 | 111.1 | S2084 H2088 W2207 P2209 N2215 N2216 L2218 | S2084-I2213 WeakPolarHBondContact OG-CD1 3.32Å; H2088-I2213 HydrophobicContact CB-CD1 3.98Å; H2088-I2213 HydrophobicContact CB-CG1 4.4Å; W2207-I2213 HydrophobicContact CH2-CD1 3.95Å; W2207-I2213 HydrophobicContact CH2-CG2 4.31Å; W2207-I2213 HydrophobicContact CZ2-CD1 4.1Å; P2209-I2213 HydrophobicContact CB-CB 3.75Å; P2209-I2213 HydrophobicContact CB-CD1 3.94Å; P2209-I2213 HydrophobicContact CB-CG1 4.38Å; P2209-I2213 HydrophobicContact CB-CG2 3.76Å; P2209-I2213 HydrophobicContact CG-CB 4.05Å; P2209-I2213 HydrophobicContact CG-CG2 4.01Å; I2213-N2215 PolarHBondContact O-N 3.11Å; I2213-N2216 CarbonylContact O-C 3.56Å; I2213-N2216 PolarHBondContact O-N 3.08Å; I2213-N2216 VanDerWaalsContact O-N 3.11Å; I2213-L2218 HydrophobicContact CG2-CD2 3.65Å; I2213-L2218 VanDerWaalsContact CG2-CD2 3.47Å; I2213-L2218 HydrophobicContact CG2-CG 4.28Å |
| 2214 | V | 68.3 | Low | 75.3 | Confident | 94.6 Ų | 94.6 | 49.9 Ų | 49.9 | 57% | 0.573 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -59.6 | -32.7 | 175.8 | 173.1 | 0 | 0 | 0 | 0 | 112 | P2209 G2210 Y2212 N2216 | P2209-V2214 HydrophobicContact CG-CG2 3.82Å; G2210-V2214 VanDerWaalsContact O-CG2 3.28Å; G2210-V2214 WeakPolarHBondContact O-CG2 3.29Å; G2210-V2214 PolarHBondContact O-N 3.07Å; Y2212-V2214 VanDerWaalsContact C-N 3.32Å; Y2212-V2214 PolarHBondContact O-N 3.33Å; V2214-N2216 VanDerWaalsContact C-N 3.32Å |
| 2215 | N | 68.1 | Low | 75.6 | Confident | 133.4 Ų | 133.4 | 49.7 Ų | 49.7 | 71% | 0.713 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -82.2 | -13.9 | 178.9 | -65.7 | -20.9 | 0 | 0 | 0 | 113.4 | S2211 Y2212 I2213 | S2211-N2215 WeakPolarHBondContact O-CB 3.35Å; S2211-N2215 VanDerWaalsContact O-CG 3.27Å; S2211-N2215 PolarHBondContact O-N 3.1Å; S2211-N2215 VanDerWaalsContact O-N 3.17Å; S2211-N2215 PolarHBondContact O-ND2 3.02Å; S2211-N2215 VanDerWaalsContact O-ND2 3.16Å; Y2212-N2215 PolarHBondContact O-N 3.28Å; Y2212-N2215 VanDerWaalsContact O-N 3.17Å; I2213-N2215 PolarHBondContact O-N 3.11Å |
| 2216 | N | 70.4 | Confident | 75.9 | Confident | 57.4 Ų | 57.4 | 47.9 Ų | 47.9 | 31% | 0.307 | 27% | 0.268 | S | S | . | . | S | Bend | trans | -108.4 | 155.5 | -176.9 | -78.1 | -17.7 | 0 | 0 | 0 | 111.7 | Y2212 I2213 V2214 L2218 | Y2212-N2216 WeakPolarHBondContact CE1-ND2 3.22Å; Y2212-N2216 VanDerWaalsContact CZ-ND2 3.31Å; Y2212-N2216 PolarHBondContact O-N 2.84Å; Y2212-N2216 PolarHBondContact O-ND2 3.37Å; Y2212-N2216 PolarHBondContact OH-ND2 3.24Å; I2213-N2216 CarbonylContact O-C 3.56Å; I2213-N2216 PolarHBondContact O-N 3.08Å; I2213-N2216 VanDerWaalsContact O-N 3.11Å; V2214-N2216 VanDerWaalsContact C-N 3.32Å; N2216-L2218 PolarHBondContact O-N 2.98Å; N2216-L2218 VanDerWaalsContact O-N 3.12Å |
| 2217 | P | 70.5 | Confident | 75.8 | Confident | 116 Ų | 116 | 48.6 Ų | 48.6 | 75% | 0.753 | 28% | 0.279 | S | S | * | . | trans | -66.8 | 119.3 | 176.5 | 26.7 | -33.1 | 0 | 0 | 0 | 110.7 | H2088 N2219 | H2088-P2217 PolarHBondContact CE1-O 3.17Å; H2088-P2217 VanDerWaalsContact CE1-O 3.27Å; H2088-P2217 PolarHBondContact NE2-O 3.4Å; P2217-N2219 PolarHBondContact O-N 3.21Å | ||
| 2218 | L | 72.9 | Confident | 75.8 | Confident | 44.4 Ų | 44.4 | 48.9 Ų | 48.9 | 23% | 0.232 | 28% | 0.28 | C | S | . | . | trans | -58.2 | 122.2 | 178.9 | -85.7 | 155.8 | 0 | 0 | 0 | 111.9 | H2088 P2183 S2184 W2207 I2213 N2216 S2220 T2223 | H2088-L2218 WeakPolarHBondContact NE2-CA 3.24Å; P2183-L2218 HydrophobicContact CB-CD1 4.13Å; P2183-L2218 HydrophobicContact CG-CD1 4.34Å; S2184-L2218 VanDerWaalsContact OG-CD1 3.3Å; S2184-L2218 WeakPolarHBondContact OG-CD1 3.38Å; W2207-L2218 HydrophobicContact CE3-CD2 4.47Å; W2207-L2218 HydrophobicContact CH2-CD2 4.42Å; W2207-L2218 HydrophobicContact CZ3-CD2 3.74Å; I2213-L2218 HydrophobicContact CG2-CD2 3.65Å; I2213-L2218 VanDerWaalsContact CG2-CD2 3.47Å; I2213-L2218 HydrophobicContact CG2-CG 4.28Å; N2216-L2218 PolarHBondContact O-N 2.98Å; N2216-L2218 VanDerWaalsContact O-N 3.12Å; L2218-S2220 PolarHBondContact O-N 3.07Å; L2218-S2220 VanDerWaalsContact O-N 3.1Å; L2218-T2223 HydrophobicContact CD2-CG2 4.21Å | ||
| 2219 | N | 75.7 | Confident | 75.8 | Confident | 40.2 Ų | 40.2 | 50.3 Ų | 50.3 | 22% | 0.215 | 29% | 0.287 | C | S | . | . | trans | -70.3 | 103.9 | 175.9 | -172.4 | -26.6 | 0 | 0 | 0 | 110.6 | H2088 W2091 P2217 Q2221 F2222 T2223 | H2088-N2219 PolarHBondContact NE2-N 3.14Å; H2088-N2219 PolarHBondContact O-ND2 3.36Å; W2091-N2219 WeakPolarHBondContact CB-ND2 3.27Å; P2217-N2219 PolarHBondContact O-N 3.21Å; N2219-Q2221 VanDerWaalsContact C-N 3.28Å; N2219-Q2221 PolarHBondContact O-N 3.17Å; N2219-Q2221 VanDerWaalsContact O-N 3.16Å; N2219-Q2221 WeakPolarHBondContact OD1-CB 3.39Å; N2219-Q2221 PolarHBondContact OD1-N 3.29Å; N2219-Q2221 VanDerWaalsContact OD1-N 3.12Å; N2219-F2222 HydrophobicContact CB-CB 3.92Å; N2219-F2222 WeakPolarHBondContact O-CB 3.26Å; N2219-F2222 PolarHBondContact O-N 3.16Å; N2219-F2222 VanDerWaalsContact O-N 3.14Å; N2219-F2222 PolarHBondContact OD1-N 3.1Å; N2219-T2223 PolarHBondContact O-N 3.2Å; N2219-T2223 VanDerWaalsContact O-N 3.12Å; N2219-T2223 PolarHBondContact O-OG1 3.22Å | ||
| 2220 | S | 73.7 | Confident | 76 | Confident | 72.6 Ų | 72.6 | 51.7 Ų | 51.7 | 51% | 0.508 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -63.1 | -25.3 | -177.2 | 67.1 | 0 | 0 | 0 | 0 | 114.4 | L2218 T2223 K2224 N2230 | L2218-S2220 PolarHBondContact O-N 3.07Å; L2218-S2220 VanDerWaalsContact O-N 3.1Å; S2220-T2223 PolarHBondContact O-OG1 3.12Å; S2220-K2224 WeakPolarHBondContact O-CB 3.32Å; S2220-K2224 VanDerWaalsContact O-CG 3.27Å; S2220-K2224 WeakPolarHBondContact O-CG 3.37Å; S2220-K2224 PolarHBondContact O-N 3.36Å; S2220-K2224 VanDerWaalsContact O-N 3.13Å; S2220-N2230 PolarHBondContact O-ND2 3.22Å; S2220-N2230 VanDerWaalsContact O-ND2 3.09Å |
| 2221 | Q | 79.2 | Confident | 76.1 | Confident | 96.4 Ų | 96.4 | 55.8 Ų | 55.8 | 45% | 0.45 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -73.4 | -42.1 | 175.5 | -67.8 | 178.2 | -17.4 | 0 | 0 | 110.5 | N2095 N2219 K2224 S2225 | N2095-Q2221 PolarHBondContact ND2-OE1 2.98Å; N2095-Q2221 PolarHBondContact OD1-OE1 3.21Å; N2219-Q2221 VanDerWaalsContact C-N 3.28Å; N2219-Q2221 PolarHBondContact O-N 3.17Å; N2219-Q2221 VanDerWaalsContact O-N 3.16Å; N2219-Q2221 WeakPolarHBondContact OD1-CB 3.39Å; N2219-Q2221 PolarHBondContact OD1-N 3.29Å; N2219-Q2221 VanDerWaalsContact OD1-N 3.12Å; Q2221-K2224 PolarHBondContact O-N 3.41Å; Q2221-S2225 VanDerWaalsContact O-CB 3.24Å; Q2221-S2225 WeakPolarHBondContact O-CB 3.38Å; Q2221-S2225 PolarHBondContact O-N 3.16Å; Q2221-S2225 PolarHBondContact O-OG 3.12Å; Q2221-S2225 VanDerWaalsContact O-OG 3.12Å |
| 2222 | F | 83.2 | Confident | 76.2 | Confident | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -59.7 | -53.2 | 176 | 172.4 | -121.9 | 0 | 0 | 0 | 111.9 | L2087 H2088 W2091 W2207 N2219 K2224 S2225 I2226 | L2087-F2222 HydrophobicContact CB-CE2 3.66Å; L2087-F2222 HydrophobicContact CB-CZ 4Å; L2087-F2222 HydrophobicContact CD1-CE2 4.45Å; H2088-F2222 HydrophobicContact CB-CD1 4.21Å; H2088-F2222 HydrophobicContact CB-CE1 4.08Å; H2088-F2222 HydrophobicContact CB-CZ 4.35Å; H2088-F2222 AromaticContact CD2-CD1 3.86Å; W2091-F2222 HydrophobicContact CB-CB 4.17Å; W2091-F2222 HydrophobicContact CD2-CB 3.9Å; W2091-F2222 AromaticContact CD2-CD2 3.55Å; W2091-F2222 HydrophobicContact CD2-CD2 3.55Å; W2091-F2222 VanDerWaalsContact CD2-CD2 3.47Å; W2091-F2222 HydrophobicContact CD2-CE2 4.43Å; W2091-F2222 HydrophobicContact CD2-CG 4.19Å; W2091-F2222 HydrophobicContact CE3-CB 4.43Å; W2091-F2222 AromaticContact CE3-CD2 3.22Å; W2091-F2222 HydrophobicContact CE3-CD2 3.22Å; W2091-F2222 AromaticContact CE3-CE2 3.75Å; W2091-F2222 HydrophobicContact CE3-CE2 3.75Å; W2091-F2222 HydrophobicContact CE3-CG 4.23Å; W2091-F2222 HydrophobicContact CG-CB 3.73Å; W2091-F2222 HydrophobicContact CG-CD2 4.19Å; W2091-F2222 HydrophobicContact CG-CG 4.4Å; W2091-F2222 AromaticContact CH2-CD2 3.95Å; W2091-F2222 HydrophobicContact CH2-CD2 4.07Å; W2091-F2222 HydrophobicContact CH2-CE2 4.39Å; W2091-F2222 HydrophobicContact CZ2-CD2 4.33Å; W2091-F2222 AromaticContact CZ3-CD2 3.48Å; W2091-F2222 HydrophobicContact CZ3-CD2 3.48Å; W2091-F2222 VanDerWaalsContact CZ3-CD2 3.43Å; W2091-F2222 AromaticContact CZ3-CE2 3.72Å; W2091-F2222 HydrophobicContact CZ3-CE2 3.72Å; W2207-F2222 HydrophobicContact CH2-CD1 4.42Å; W2207-F2222 AromaticContact CH2-CE1 3.75Å; W2207-F2222 HydrophobicContact CH2-CE1 3.75Å; W2207-F2222 HydrophobicContact CZ2-CE1 4.31Å; W2207-F2222 HydrophobicContact CZ3-CE1 4.37Å; N2219-F2222 HydrophobicContact CB-CB 3.92Å; N2219-F2222 WeakPolarHBondContact O-CB 3.26Å; N2219-F2222 PolarHBondContact O-N 3.16Å; N2219-F2222 VanDerWaalsContact O-N 3.14Å; N2219-F2222 PolarHBondContact OD1-N 3.1Å; F2222-K2224 VanDerWaalsContact C-N 3.32Å; F2222-K2224 PolarHBondContact O-N 3.18Å; F2222-S2225 WeakPolarHBondContact CA-OG 3.16Å; F2222-S2225 CarbonylContact O-C 3.52Å; F2222-S2225 PolarHBondContact O-N 3.13Å; F2222-S2225 VanDerWaalsContact O-N 3.14Å; F2222-S2225 PolarHBondContact O-OG 3.06Å; F2222-I2226 HydrophobicContact CD1-CD1 4.4Å; F2222-I2226 HydrophobicContact CD2-CD1 3.75Å; F2222-I2226 HydrophobicContact CD2-CG1 4.23Å; F2222-I2226 HydrophobicContact CE1-CD1 3.95Å; F2222-I2226 HydrophobicContact CE2-CD1 3.17Å; F2222-I2226 HydrophobicContact CE2-CG1 4.03Å; F2222-I2226 HydrophobicContact CG-CD1 4.37Å; F2222-I2226 HydrophobicContact CZ-CD1 3.28Å; F2222-I2226 HydrophobicContact CZ-CG1 4.4Å; F2222-I2226 WeakPolarHBondContact O-CG1 3.35Å; F2222-I2226 PolarHBondContact O-N 3.1Å; F2222-I2226 VanDerWaalsContact O-N 3.11Å |
| 2223 | T | 81.3 | Confident | 76.4 | Confident | 0.8 Ų | 0.8 | 50.4 Ų | 50.4 | 1% | 0.005 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -63.8 | -39.8 | -178 | 54.7 | 0 | 0 | 0 | 0 | 111.7 | W2207 L2218 N2219 S2220 S2225 I2226 G2227 L2228 N2230 | W2207-T2223 HydrophobicContact CE3-CG2 4.35Å; W2207-T2223 HydrophobicContact CZ3-CG2 4.04Å; L2218-T2223 HydrophobicContact CD2-CG2 4.21Å; N2219-T2223 PolarHBondContact O-N 3.2Å; N2219-T2223 VanDerWaalsContact O-N 3.12Å; N2219-T2223 PolarHBondContact O-OG1 3.22Å; S2220-T2223 PolarHBondContact O-OG1 3.12Å; T2223-S2225 VanDerWaalsContact C-N 3.34Å; T2223-S2225 PolarHBondContact O-N 3.43Å; T2223-I2226 PolarHBondContact O-N 2.97Å; T2223-G2227 PolarHBondContact O-N 3.09Å; T2223-L2228 HydrophobicContact CG2-CD1 4.14Å; T2223-L2228 WeakPolarHBondContact O-CB 3.37Å; T2223-L2228 PolarHBondContact O-N 3.36Å; T2223-N2230 VanDerWaalsContact CB-OD1 3.26Å; T2223-N2230 WeakPolarHBondContact CB-OD1 3.3Å; T2223-N2230 VanDerWaalsContact OG1-CG 3.24Å; T2223-N2230 PolarHBondContact OG1-ND2 3Å; T2223-N2230 PolarHBondContact OG1-OD1 3.05Å |
| 2224 | K | 79.2 | Confident | 76.6 | Confident | 146.4 Ų | 146.4 | 54.6 Ų | 54.6 | 64% | 0.637 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -62.9 | -42.9 | 174.1 | -98.7 | 180 | 179.6 | -177 | 0 | 112.8 | R2152 S2220 Q2221 F2222 I2226 G2227 N2230 | R2152-K2224 PolarHBondContact NH2-O 2.79Å; S2220-K2224 WeakPolarHBondContact O-CB 3.32Å; S2220-K2224 VanDerWaalsContact O-CG 3.27Å; S2220-K2224 WeakPolarHBondContact O-CG 3.37Å; S2220-K2224 PolarHBondContact O-N 3.36Å; S2220-K2224 VanDerWaalsContact O-N 3.13Å; Q2221-K2224 PolarHBondContact O-N 3.41Å; F2222-K2224 VanDerWaalsContact C-N 3.32Å; F2222-K2224 PolarHBondContact O-N 3.18Å; K2224-I2226 VanDerWaalsContact C-N 3.32Å; K2224-I2226 PolarHBondContact O-N 3.08Å; K2224-G2227 WeakPolarHBondContact O-CA 3.3Å; K2224-G2227 PolarHBondContact O-N 3.04Å; K2224-G2227 VanDerWaalsContact O-N 3.13Å; K2224-N2230 VanDerWaalsContact CG-ND2 3.34Å; K2224-N2230 WeakPolarHBondContact CG-ND2 3.3Å |
| 2225 | S | 80.1 | Confident | 77.1 | Confident | 7 Ų | 7 | 51.6 Ų | 51.6 | 5% | 0.049 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -71 | -30.6 | -176.9 | 15.4 | 0 | 0 | 0 | 0 | 113 | W2091 R2152 Q2221 F2222 T2223 G2227 | W2091-S2225 VanDerWaalsContact CE2-OG 3.29Å; W2091-S2225 WeakPolarHBondContact CH2-OG 3.47Å; W2091-S2225 WeakPolarHBondContact CZ2-OG 3.25Å; R2152-S2225 VanDerWaalsContact CD-O 3.27Å; R2152-S2225 WeakPolarHBondContact CD-O 3.37Å; R2152-S2225 PolarHBondContact NE-O 3.14Å; R2152-S2225 PolarHBondContact NH2-O 2.97Å; Q2221-S2225 VanDerWaalsContact O-CB 3.24Å; Q2221-S2225 WeakPolarHBondContact O-CB 3.38Å; Q2221-S2225 PolarHBondContact O-N 3.16Å; Q2221-S2225 PolarHBondContact O-OG 3.12Å; Q2221-S2225 VanDerWaalsContact O-OG 3.12Å; F2222-S2225 WeakPolarHBondContact CA-OG 3.16Å; F2222-S2225 CarbonylContact O-C 3.52Å; F2222-S2225 PolarHBondContact O-N 3.13Å; F2222-S2225 VanDerWaalsContact O-N 3.14Å; F2222-S2225 PolarHBondContact O-OG 3.06Å; T2223-S2225 VanDerWaalsContact C-N 3.34Å; T2223-S2225 PolarHBondContact O-N 3.43Å; S2225-G2227 VanDerWaalsContact C-N 3.26Å; S2225-G2227 PolarHBondContact O-N 3.21Å |
| 2226 | I | 82 | Confident | 77.7 | Confident | 0.2 Ų | 0.2 | 45.2 Ų | 45.2 | 0% | 0.001 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -70.7 | -28.8 | 170.3 | -72.4 | -177.6 | 0 | 0 | 0 | 111.4 | L2151 R2152 W2156 L2157 P2174 F2222 T2223 K2224 L2228 | L2151-I2226 HydrophobicContact CD2-CB 4.46Å; L2151-I2226 HydrophobicContact CD2-CD1 4.29Å; L2151-I2226 HydrophobicContact CD2-CG1 4.05Å; L2151-I2226 HydrophobicContact CD2-CG2 4.39Å; R2152-I2226 WeakPolarHBondContact CG-O 3.41Å; R2152-I2226 PolarHBondContact NE-O 2.96Å; W2156-I2226 HydrophobicContact CH2-CD1 4.27Å; W2156-I2226 HydrophobicContact CZ2-CD1 4.07Å; L2157-I2226 HydrophobicContact CD1-CG2 4.06Å; P2174-I2226 HydrophobicContact CB-CG2 3.65Å; P2174-I2226 VanDerWaalsContact CB-O 3.3Å; P2174-I2226 WeakPolarHBondContact CB-O 3.37Å; P2174-I2226 HydrophobicContact CG-CG2 3.69Å; F2222-I2226 HydrophobicContact CD1-CD1 4.4Å; F2222-I2226 HydrophobicContact CD2-CD1 3.75Å; F2222-I2226 HydrophobicContact CD2-CG1 4.23Å; F2222-I2226 HydrophobicContact CE1-CD1 3.95Å; F2222-I2226 HydrophobicContact CE2-CD1 3.17Å; F2222-I2226 HydrophobicContact CE2-CG1 4.03Å; F2222-I2226 HydrophobicContact CG-CD1 4.37Å; F2222-I2226 HydrophobicContact CZ-CD1 3.28Å; F2222-I2226 HydrophobicContact CZ-CG1 4.4Å; F2222-I2226 WeakPolarHBondContact O-CG1 3.35Å; F2222-I2226 PolarHBondContact O-N 3.1Å; F2222-I2226 VanDerWaalsContact O-N 3.11Å; T2223-I2226 PolarHBondContact O-N 2.97Å; K2224-I2226 VanDerWaalsContact C-N 3.32Å; K2224-I2226 PolarHBondContact O-N 3.08Å; I2226-L2228 HydrophobicContact CB-CG 4.49Å; I2226-L2228 HydrophobicContact CG2-CD1 4.44Å; I2226-L2228 HydrophobicContact CG2-CD2 4.47Å; I2226-L2228 HydrophobicContact CG2-CG 4.07Å |
| 2227 | G | 76.8 | Confident | 78.3 | Confident | 28.6 Ų | 28.6 | 42.5 Ų | 42.5 | 30% | 0.295 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 100.9 | 15.8 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114 | T2223 K2224 S2225 | T2223-G2227 PolarHBondContact O-N 3.09Å; K2224-G2227 WeakPolarHBondContact O-CA 3.3Å; K2224-G2227 PolarHBondContact O-N 3.04Å; K2224-G2227 VanDerWaalsContact O-N 3.13Å; S2225-G2227 VanDerWaalsContact C-N 3.26Å; S2225-G2227 PolarHBondContact O-N 3.21Å |
| 2228 | L | 81.4 | Confident | 78.9 | Confident | 7.2 Ų | 7.2 | 39.2 Ų | 39.2 | 4% | 0.038 | 20% | 0.203 | C | C | . | . | trans | -72.3 | 138.7 | 173 | -64.6 | 176.3 | 0 | 0 | 0 | 110.8 | L2157 I2180 W2207 T2223 I2226 N2230 | L2157-L2228 HydrophobicContact CD1-CD1 4.45Å; L2157-L2228 HydrophobicContact CD1-CD2 3.95Å; L2157-L2228 HydrophobicContact CD1-CG 4.33Å; I2180-L2228 HydrophobicContact CB-CD2 3.89Å; I2180-L2228 HydrophobicContact CG2-CD2 3.47Å; I2180-L2228 VanDerWaalsContact CG2-CD2 3.47Å; W2207-L2228 HydrophobicContact CB-CD1 4.3Å; W2207-L2228 HydrophobicContact CB-CD2 4.28Å; W2207-L2228 HydrophobicContact CD2-CD1 3.77Å; W2207-L2228 HydrophobicContact CE3-CD1 3.38Å; W2207-L2228 VanDerWaalsContact CE3-CD1 3.46Å; W2207-L2228 HydrophobicContact CG-CD1 4.18Å; W2207-L2228 HydrophobicContact CZ3-CD1 3.98Å; T2223-L2228 HydrophobicContact CG2-CD1 4.14Å; T2223-L2228 WeakPolarHBondContact O-CB 3.37Å; T2223-L2228 PolarHBondContact O-N 3.36Å; I2226-L2228 HydrophobicContact CB-CG 4.49Å; I2226-L2228 HydrophobicContact CG2-CD1 4.44Å; I2226-L2228 HydrophobicContact CG2-CD2 4.47Å; I2226-L2228 HydrophobicContact CG2-CG 4.07Å; L2228-N2230 PolarHBondContact O-N 3.12Å | ||
| 2229 | I | 78.2 | Confident | 79.1 | Confident | 36 Ų | 36 | 38.6 Ų | 38.6 | 19% | 0.185 | 21% | 0.205 | C | C | . | . | B | Isolated β-bridge | trans | -78.3 | 115.7 | 178.3 | -58.7 | 171 | 0 | 0 | 0 | 108.6 | M2179 I2180 Y2181 S2182 A2185 Q2231 | M2179-I2229 HydrophobicContact CB-CD1 3.67Å; M2179-I2229 VanDerWaalsContact CB-CD1 3.5Å; M2179-I2229 HydrophobicContact CE-CD1 3.48Å; M2179-I2229 HydrophobicContact CG-CD1 3.9Å; M2179-I2229 HydrophobicContact SD-CD1 4.4Å; I2180-I2229 PolarHBondContact O-N 3.26Å; Y2181-I2229 HydrophobicContact CD1-CB 3.76Å; Y2181-I2229 HydrophobicContact CD1-CD1 4.25Å; Y2181-I2229 HydrophobicContact CD1-CG2 3.67Å; Y2181-I2229 HydrophobicContact CD2-CD1 4.49Å; Y2181-I2229 HydrophobicContact CE1-CB 4.02Å; Y2181-I2229 HydrophobicContact CE1-CD1 4.07Å; Y2181-I2229 HydrophobicContact CE1-CG2 3.64Å; Y2181-I2229 HydrophobicContact CE2-CD1 4.16Å; Y2181-I2229 HydrophobicContact CG-CB 4.39Å; S2182-I2229 PolarHBondContact N-O 3.28Å; S2182-I2229 PolarHBondContact OG-O 3.25Å; A2185-I2229 VanDerWaalsContact CB-O 3.31Å; A2185-I2229 WeakPolarHBondContact CB-O 3.39Å; I2229-Q2231 WeakPolarHBondContact CG2-O 3.23Å |
| 2230 | N | 76.8 | Confident | 79.5 | Confident | 32.8 Ų | 32.8 | 36.7 Ų | 36.7 | 18% | 0.175 | 20% | 0.195 | C | C | . | . | trans | -94.6 | -11.8 | -176.5 | -78.3 | -38.7 | 0 | 0 | 0 | 114.4 | S2182 A2185 S2220 T2223 K2224 L2228 | S2182-N2230 VanDerWaalsContact CB-OD1 3.27Å; S2182-N2230 WeakPolarHBondContact CB-OD1 3.39Å; S2182-N2230 WeakPolarHBondContact OG-CA 3.3Å; S2182-N2230 PolarHBondContact OG-OD1 3.09Å; A2185-N2230 VanDerWaalsContact CA-O 3.28Å; A2185-N2230 WeakPolarHBondContact CA-O 3.34Å; S2220-N2230 PolarHBondContact O-ND2 3.22Å; S2220-N2230 VanDerWaalsContact O-ND2 3.09Å; T2223-N2230 VanDerWaalsContact CB-OD1 3.26Å; T2223-N2230 WeakPolarHBondContact CB-OD1 3.3Å; T2223-N2230 VanDerWaalsContact OG1-CG 3.24Å; T2223-N2230 PolarHBondContact OG1-ND2 3Å; T2223-N2230 PolarHBondContact OG1-OD1 3.05Å; K2224-N2230 VanDerWaalsContact CG-ND2 3.34Å; K2224-N2230 WeakPolarHBondContact CG-ND2 3.3Å; L2228-N2230 PolarHBondContact O-N 3.12Å | ||
| 2231 | Q | 76.8 | Confident | 80 | Confident | 99.2 Ų | 99.2 | 33.3 Ų | 33.3 | 46% | 0.464 | 17% | 0.171 | S | C | . | . | S | Bend | trans | -146 | 139.7 | 177.9 | -65.6 | -173.9 | -3.2 | 0 | 0 | 107.7 | I2229 | I2229-Q2231 WeakPolarHBondContact CG2-O 3.23Š|
| 2232 | P | 76.7 | Confident | 80 | Confident | 4.4 Ų | 4.4 | 33.6 Ų | 33.6 | 3% | 0.029 | 17% | 0.168 | C | C | . | . | trans | -65.3 | 148.9 | 175.3 | 29.8 | -35 | 0 | 0 | 0 | 110 | A2185 F2186 L2189 T2236 Y2273 R2276 | A2185-P2232 WeakPolarHBondContact O-CD 3.36Å; F2186-P2232 HydrophobicContact CE1-CB 4.47Å; L2189-P2232 HydrophobicContact CD1-CB 4.42Å; L2189-P2232 HydrophobicContact CD1-CG 3.86Å; L2189-P2232 HydrophobicContact CG-CG 4.43Å; P2232-T2236 WeakPolarHBondContact CA-OG1 3.28Å; P2232-T2236 HydrophobicContact CB-CG2 4.05Å; P2232-Y2273 HydrophobicContact CG-CD1 4.31Å; P2232-Y2273 HydrophobicContact CG-CE1 3.64Å; P2232-Y2273 HydrophobicContact CG-CE2 4Å; P2232-Y2273 VanDerWaalsContact CG-CZ 3.45Å; P2232-Y2273 WeakPolarHBondContact CG-OH 3.5Å; P2232-Y2273 WeakPolarHBondContact O-CD1 3.33Å; P2232-Y2273 VanDerWaalsContact O-CE1 3.29Å; P2232-Y2273 WeakPolarHBondContact O-CE1 3.35Å; P2232-R2276 PolarHBondContact O-NH2 2.97Å | ||
| 2233 | D | 78.1 | Confident | 79.8 | Confident | 41.6 Ų | 41.6 | 35 Ų | 35 | 22% | 0.222 | 18% | 0.177 | C | C | . | . | trans | -135.4 | -176.4 | -175 | 66.7 | -6.6 | 0 | 0 | 0 | 110 | M2179 S2235 T2236 F2237 | M2179-D2233 WeakPolarHBondContact CE-OD1 3.43Å; D2233-S2235 VanDerWaalsContact C-N 3.29Å; D2233-S2235 VanDerWaalsContact CG-OG 3.23Å; D2233-S2235 PolarHBondContact O-N 3.21Å; D2233-S2235 WeakPolarHBondContact OD1-CA 3.39Å; D2233-S2235 PolarHBondContact OD1-N 3.26Å; D2233-S2235 VanDerWaalsContact OD1-N 3.08Å; D2233-S2235 PolarHBondContact OD1-OG 3.12Å; D2233-S2235 VanDerWaalsContact OD1-OG 3.09Å; D2233-S2235 PolarHBondContact OD2-N 3.21Å; D2233-S2235 PolarHBondContact OD2-OG 3.12Å; D2233-T2236 PolarHBondContact N-OG1 3.1Å; D2233-T2236 VanDerWaalsContact N-OG1 3.1Å; D2233-T2236 VanDerWaalsContact O-CB 3.28Å; D2233-T2236 WeakPolarHBondContact O-CB 3.39Å; D2233-T2236 PolarHBondContact O-N 3.18Å; D2233-T2236 VanDerWaalsContact O-N 3.16Å; D2233-T2236 PolarHBondContact O-OG1 3.12Å; D2233-T2236 PolarHBondContact OD1-N 3.28Å; D2233-T2236 PolarHBondContact OD1-OG1 3.16Å; D2233-F2237 VanDerWaalsContact O-CD2 3.28Å; D2233-F2237 WeakPolarHBondContact O-CD2 3.38Å | ||
| 2234 | R | 78.5 | Confident | 79.7 | Confident | 88 Ų | 88 | 35.3 Ų | 35.3 | 33% | 0.332 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -53 | -43.2 | 175.6 | -2.6 | 179.8 | -176.9 | 166 | 3.1 | 113.3 | T2236 F2237 E2238 Y2274 D2277 V2278 W2297 | R2234-T2236 VanDerWaalsContact C-N 3.28Å; R2234-T2236 PolarHBondContact O-N 3.24Å; R2234-F2237 PolarHBondContact O-N 3.02Å; R2234-E2238 IonicContact CZ-OE1 3.69Å; R2234-E2238 IonicContact NE-OE1 3.84Å; R2234-E2238 PolarHBondContact NE-OE1 3.2Å; R2234-E2238 VanDerWaalsContact NE-OE1 3.12Å; R2234-E2238 IonicContact NH2-OE1 2.72Å; R2234-E2238 PolarHBondContact O-N 3.02Å; R2234-E2238 VanDerWaalsContact O-N 3.16Å; R2234-Y2274 VanDerWaalsContact CD-CD2 3.46Å; R2234-Y2274 HydrophobicContact CG-CD2 4.11Å; R2234-Y2274 HydrophobicContact CG-CG 4.45Å; R2234-Y2274 PolarHBondContact NE-O 2.96Å; R2234-Y2274 PolarHBondContact NH2-O 3.29Å; R2234-D2277 WeakPolarHBondContact CD-OD2 3.41Å; R2234-D2277 PolarHBondContact N-OD2 3.22Å; R2234-D2277 VanDerWaalsContact N-OD2 3.09Å; R2234-D2277 IonicContact NE-OD2 3.51Å; R2234-V2278 VanDerWaalsContact NH2-N 3.11Å; R2234-W2297 HydrophobicContact CB-CH2 4.46Å; R2234-W2297 HydrophobicContact CB-CZ2 3.84Å; R2234-W2297 HydrophobicContact CG-CD2 4.24Å; R2234-W2297 VanDerWaalsContact CG-CE2 3.44Å; R2234-W2297 HydrophobicContact CG-CH2 4.42Å; R2234-W2297 HydrophobicContact CG-CZ2 3.84Å; R2234-W2297 VanDerWaalsContact NE-NE1 3.2Å; R2234-W2297 WeakPolarHBondContact O-CZ2 3.5Å |
| 2235 | S | 79 | Confident | 79.7 | Confident | 30.4 Ų | 30.4 | 28.3 Ų | 28.3 | 21% | 0.213 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -69 | -26.2 | -176 | 54.3 | 0 | 0 | 0 | 0 | 113 | M2179 D2233 F2237 E2238 A2239 | M2179-S2235 VanDerWaalsContact CE-CB 3.45Å; M2179-S2235 VanDerWaalsContact CE-OG 3.24Å; M2179-S2235 WeakPolarHBondContact CE-OG 3.34Å; M2179-S2235 PolarHBondContact SD-OG 3.19Å; D2233-S2235 VanDerWaalsContact C-N 3.29Å; D2233-S2235 VanDerWaalsContact CG-OG 3.23Å; D2233-S2235 PolarHBondContact O-N 3.21Å; D2233-S2235 WeakPolarHBondContact OD1-CA 3.39Å; D2233-S2235 PolarHBondContact OD1-N 3.26Å; D2233-S2235 VanDerWaalsContact OD1-N 3.08Å; D2233-S2235 PolarHBondContact OD1-OG 3.12Å; D2233-S2235 VanDerWaalsContact OD1-OG 3.09Å; D2233-S2235 PolarHBondContact OD2-N 3.21Å; D2233-S2235 PolarHBondContact OD2-OG 3.12Å; S2235-F2237 VanDerWaalsContact C-N 3.33Å; S2235-F2237 PolarHBondContact O-N 3.15Å; S2235-E2238 WeakPolarHBondContact O-CB 3.28Å; S2235-E2238 PolarHBondContact O-N 3.17Å; S2235-A2239 WeakPolarHBondContact O-CB 3.35Å; S2235-A2239 PolarHBondContact O-N 2.94Å |
| 2236 | T | 80.6 | Confident | 79.6 | Confident | 0.2 Ų | 0.2 | 32.4 Ų | 32.4 | 0% | 0.001 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -58.2 | -45.3 | 171.2 | -53.4 | 0 | 0 | 0 | 0 | 111.7 | Y2181 F2186 L2200 P2232 D2233 R2234 A2239 L2240 | Y2181-T2236 HydrophobicContact CE1-CG2 3.97Å; Y2181-T2236 VanDerWaalsContact CE1-OG1 3.3Å; Y2181-T2236 WeakPolarHBondContact CE1-OG1 3.38Å; Y2181-T2236 VanDerWaalsContact OH-CA 3.3Å; Y2181-T2236 WeakPolarHBondContact OH-CA 3.41Å; Y2181-T2236 VanDerWaalsContact OH-CB 3.27Å; Y2181-T2236 WeakPolarHBondContact OH-CB 3.31Å; Y2181-T2236 WeakPolarHBondContact OH-CG2 3.32Å; Y2181-T2236 PolarHBondContact OH-OG1 3.08Å; F2186-T2236 HydrophobicContact CE1-CG2 4.33Å; L2200-T2236 HydrophobicContact CD2-CG2 4.13Å; P2232-T2236 WeakPolarHBondContact CA-OG1 3.28Å; P2232-T2236 HydrophobicContact CB-CG2 4.05Å; D2233-T2236 PolarHBondContact N-OG1 3.1Å; D2233-T2236 VanDerWaalsContact N-OG1 3.1Å; D2233-T2236 VanDerWaalsContact O-CB 3.28Å; D2233-T2236 WeakPolarHBondContact O-CB 3.39Å; D2233-T2236 PolarHBondContact O-N 3.18Å; D2233-T2236 VanDerWaalsContact O-N 3.16Å; D2233-T2236 PolarHBondContact O-OG1 3.12Å; D2233-T2236 PolarHBondContact OD1-N 3.28Å; D2233-T2236 PolarHBondContact OD1-OG1 3.16Å; R2234-T2236 VanDerWaalsContact C-N 3.28Å; R2234-T2236 PolarHBondContact O-N 3.24Å; T2236-A2239 PolarHBondContact O-N 2.92Å; T2236-L2240 WeakPolarHBondContact O-CB 3.4Å; T2236-L2240 PolarHBondContact O-N 3.07Å |
| 2237 | F | 84 | Confident | 79.2 | Confident | 1 Ų | 1 | 35.1 Ų | 35.1 | 0% | 0.004 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -74.4 | -33.2 | 179.9 | -65.4 | -80.4 | 0 | 0 | 0 | 112.4 | D2233 R2234 S2235 L2240 M2241 I2266 T2269 A2270 Y2273 W2297 F2302 | D2233-F2237 VanDerWaalsContact O-CD2 3.28Å; D2233-F2237 WeakPolarHBondContact O-CD2 3.38Å; R2234-F2237 PolarHBondContact O-N 3.02Å; S2235-F2237 VanDerWaalsContact C-N 3.33Å; S2235-F2237 PolarHBondContact O-N 3.15Å; F2237-L2240 HydrophobicContact CD1-CD2 4.44Å; F2237-L2240 PolarHBondContact O-N 2.78Å; F2237-M2241 WeakPolarHBondContact O-CB 3.27Å; F2237-M2241 WeakPolarHBondContact O-CG 3.41Å; F2237-M2241 PolarHBondContact O-N 3.07Å; F2237-I2266 HydrophobicContact CD1-CG2 4.29Å; F2237-I2266 HydrophobicContact CE1-CG2 4.49Å; F2237-T2269 HydrophobicContact CE1-CG2 4.26Å; F2237-T2269 HydrophobicContact CZ-CG2 3.73Å; F2237-A2270 HydrophobicContact CB-CB 4.29Å; F2237-A2270 HydrophobicContact CD1-CB 3.82Å; F2237-A2270 HydrophobicContact CD2-CB 4.08Å; F2237-A2270 HydrophobicContact CE1-CB 4.19Å; F2237-A2270 HydrophobicContact CE2-CB 4.44Å; F2237-A2270 HydrophobicContact CG-CB 3.78Å; F2237-A2270 HydrophobicContact CZ-CB 4.46Å; F2237-Y2273 AromaticContact CE2-CD2 3.78Å; F2237-Y2273 HydrophobicContact CE2-CD2 3.78Å; F2237-Y2273 HydrophobicContact CE2-CG 4.17Å; F2237-Y2273 AromaticContact CZ-CD2 3.91Å; F2237-Y2273 HydrophobicContact CZ-CD2 3.96Å; F2237-Y2273 HydrophobicContact CZ-CE2 4.42Å; F2237-W2297 HydrophobicContact CB-CH2 4.45Å; F2237-W2297 HydrophobicContact CB-CZ2 4.38Å; F2237-F2302 HydrophobicContact CB-CZ 4.35Å |
| 2238 | E | 82.2 | Confident | 79.1 | Confident | 45.2 Ų | 45.2 | 34.7 Ų | 34.7 | 21% | 0.211 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -60.5 | -46.6 | 171.1 | -71.5 | 174.4 | -159.9 | 0 | 0 | 111.8 | R2234 S2235 R2242 W2297 V2301 | R2234-E2238 IonicContact CZ-OE1 3.69Å; R2234-E2238 IonicContact NE-OE1 3.84Å; R2234-E2238 PolarHBondContact NE-OE1 3.2Å; R2234-E2238 VanDerWaalsContact NE-OE1 3.12Å; R2234-E2238 IonicContact NH2-OE1 2.72Å; R2234-E2238 PolarHBondContact O-N 3.02Å; R2234-E2238 VanDerWaalsContact O-N 3.16Å; S2235-E2238 WeakPolarHBondContact O-CB 3.28Å; S2235-E2238 PolarHBondContact O-N 3.17Å; E2238-R2242 VanDerWaalsContact O-CB 3.27Å; E2238-R2242 WeakPolarHBondContact O-CB 3.29Å; E2238-R2242 PolarHBondContact O-N 3.07Å; E2238-R2242 VanDerWaalsContact O-N 3.11Å; E2238-W2297 PolarHBondContact OE1-NE1 3.37Å; E2238-V2301 HydrophobicContact CG-CG2 3.51Å; E2238-V2301 VanDerWaalsContact CG-CG2 3.48Å |
| 2239 | A | 77.7 | Confident | 78.7 | Confident | 32.8 Ų | 32.8 | 40.6 Ų | 40.6 | 27% | 0.271 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -66.2 | -42.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112 | M2179 S2235 T2236 R2242 C2243 | M2179-A2239 HydrophobicContact SD-CB 4.4Å; S2235-A2239 WeakPolarHBondContact O-CB 3.35Å; S2235-A2239 PolarHBondContact O-N 2.94Å; T2236-A2239 PolarHBondContact O-N 2.92Å; A2239-R2242 PolarHBondContact O-N 2.89Å; A2239-C2243 VanDerWaalsContact O-CB 3.3Å; A2239-C2243 WeakPolarHBondContact O-CB 3.41Å; A2239-C2243 PolarHBondContact O-N 2.98Å |
| 2240 | L | 83.2 | Confident | 78.1 | Confident | 0.6 Ų | 0.6 | 44.6 Ų | 44.6 | 0% | 0.003 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -59.1 | -52.8 | 176.7 | 175.8 | 110.8 | 0 | 0 | 0 | 111.4 | L2199 L2200 T2203 T2236 F2237 R2242 C2243 L2244 I2266 | L2199-L2240 HydrophobicContact CD2-CD1 4.07Å; L2199-L2240 HydrophobicContact CD2-CD2 4.44Å; L2199-L2240 HydrophobicContact CD2-CG 3.92Å; L2199-L2240 HydrophobicContact CG-CD1 4.17Å; L2200-L2240 HydrophobicContact CD2-CD1 3.69Å; L2200-L2240 VanDerWaalsContact CD2-CD1 3.42Å; L2200-L2240 HydrophobicContact CD2-CD2 4.07Å; L2200-L2240 HydrophobicContact CG-CD1 3.92Å; T2203-L2240 HydrophobicContact CG2-CD1 4.01Å; T2203-L2240 WeakPolarHBondContact OG1-CD1 3.25Å; T2236-L2240 WeakPolarHBondContact O-CB 3.4Å; T2236-L2240 PolarHBondContact O-N 3.07Å; F2237-L2240 HydrophobicContact CD1-CD2 4.44Å; F2237-L2240 PolarHBondContact O-N 2.78Å; L2240-R2242 VanDerWaalsContact C-N 3.35Å; L2240-R2242 PolarHBondContact O-N 3Å; L2240-C2243 PolarHBondContact O-N 3.08Å; L2240-L2244 HydrophobicContact CD1-CD1 4.04Å; L2240-L2244 HydrophobicContact CD1-CG 4.31Å; L2240-L2244 HydrophobicContact CD2-CD1 3.69Å; L2240-L2244 HydrophobicContact CD2-CG 4.39Å; L2240-L2244 HydrophobicContact CG-CD1 4.1Å; L2240-L2244 WeakPolarHBondContact O-CB 3.37Å; L2240-L2244 VanDerWaalsContact O-CG 3.28Å; L2240-L2244 WeakPolarHBondContact O-CG 3.43Å; L2240-L2244 PolarHBondContact O-N 3.21Å; L2240-I2266 HydrophobicContact CD2-CG2 4.45Å |
| 2241 | M | 84.1 | Confident | 77.4 | Confident | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -67.6 | -36.4 | -177.5 | -73 | -54.4 | -55.8 | 0 | 0 | 112.7 | F2237 L2244 G2245 M2263 V2301 F2302 Y2307 C2309 | F2237-M2241 WeakPolarHBondContact O-CB 3.27Å; F2237-M2241 WeakPolarHBondContact O-CG 3.41Å; F2237-M2241 PolarHBondContact O-N 3.07Å; M2241-L2244 PolarHBondContact O-N 3.2Å; M2241-L2244 HydrophobicContact SD-CD1 4.22Å; M2241-G2245 PolarHBondContact O-N 3.14Å; M2241-M2263 HydrophobicContact CE-CE 4.06Å; M2241-M2263 HydrophobicContact SD-CE 4.11Å; M2241-V2301 HydrophobicContact CB-CG1 4Å; M2241-V2301 WeakPolarHBondContact CB-O 3.38Å; M2241-V2301 HydrophobicContact CG-CG1 3.83Å; M2241-F2302 HydrophobicContact CE-CD1 4.08Å; M2241-F2302 HydrophobicContact CG-CD1 3.56Å; M2241-F2302 HydrophobicContact CG-CE1 3.41Å; M2241-F2302 VanDerWaalsContact CG-CE1 3.42Å; M2241-F2302 HydrophobicContact CG-CZ 4.41Å; M2241-F2302 HydrophobicContact SD-CD1 3.79Å; M2241-F2302 HydrophobicContact SD-CE1 3.73Å; M2241-Y2307 HydrophobicContact CB-CE2 4.39Å; M2241-Y2307 WeakPolarHBondContact O-CE2 3.28Å; M2241-C2309 HydrophobicContact CE-CB 3.9Å |
| 2242 | R | 80.7 | Confident | 76.5 | Confident | 103.8 Ų | 103.8 | 44.4 Ų | 44.4 | 39% | 0.392 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -60.7 | -48.6 | 173 | -172.4 | -176.4 | -57.7 | 114.8 | 4.2 | 111.3 | E2238 A2239 L2240 L2244 G2245 E2246 Y2307 | E2238-R2242 VanDerWaalsContact O-CB 3.27Å; E2238-R2242 WeakPolarHBondContact O-CB 3.29Å; E2238-R2242 PolarHBondContact O-N 3.07Å; E2238-R2242 VanDerWaalsContact O-N 3.11Å; A2239-R2242 PolarHBondContact O-N 2.89Å; L2240-R2242 VanDerWaalsContact C-N 3.35Å; L2240-R2242 PolarHBondContact O-N 3Å; R2242-L2244 PolarHBondContact O-N 3.3Å; R2242-G2245 PolarHBondContact O-N 3.18Å; R2242-E2246 HydrophobicContact CG-CG 4.47Å; R2242-E2246 WeakPolarHBondContact CG-OE1 3.37Å; R2242-E2246 WeakPolarHBondContact O-CB 3.31Å; R2242-E2246 VanDerWaalsContact O-CG 3.31Å; R2242-E2246 WeakPolarHBondContact O-CG 3.35Å; R2242-E2246 PolarHBondContact O-N 3.2Å; R2242-Y2307 HydrophobicContact CB-CE1 4.42Å; R2242-Y2307 HydrophobicContact CG-CE1 4.3Å |
| 2243 | C | 77.6 | Confident | 75.4 | Confident | 28.2 Ų | 28.2 | 46.4 Ų | 46.4 | 19% | 0.191 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -62.9 | -41.4 | 179 | -175 | 0 | 0 | 0 | 0 | 112.1 | T2203 A2239 L2240 K2247 | T2203-C2243 HydrophobicContact CG2-CB 4.32Å; A2239-C2243 VanDerWaalsContact O-CB 3.3Å; A2239-C2243 WeakPolarHBondContact O-CB 3.41Å; A2239-C2243 PolarHBondContact O-N 2.98Å; L2240-C2243 PolarHBondContact O-N 3.08Å; C2243-K2247 VanDerWaalsContact O-CB 3.26Å; C2243-K2247 WeakPolarHBondContact O-CB 3.36Å; C2243-K2247 WeakPolarHBondContact O-CD 3.28Å; C2243-K2247 VanDerWaalsContact O-CG 3.26Å; C2243-K2247 WeakPolarHBondContact O-CG 3.4Å; C2243-K2247 PolarHBondContact O-N 3.07Å; C2243-K2247 VanDerWaalsContact SG-CE 3.53Å |
| 2244 | L | 80.2 | Confident | 74.1 | Confident | 7.6 Ų | 7.6 | 51.3 Ų | 51.3 | 4% | 0.04 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -65.1 | -43.7 | 175.5 | -70.5 | 175.4 | 0 | 0 | 0 | 112.2 | L2199 T2203 L2240 M2241 R2242 K2247 A2248 I2253 L2258 L2401 | L2199-L2244 HydrophobicContact CD1-CD1 4.33Å; L2199-L2244 HydrophobicContact CD1-CD2 4.01Å; L2199-L2244 HydrophobicContact CD2-CD1 4.13Å; L2199-L2244 HydrophobicContact CD2-CD2 4.21Å; L2199-L2244 HydrophobicContact CD2-CG 4.41Å; L2199-L2244 HydrophobicContact CG-CD2 4.43Å; T2203-L2244 HydrophobicContact CG2-CD2 4.42Å; L2240-L2244 HydrophobicContact CD1-CD1 4.04Å; L2240-L2244 HydrophobicContact CD1-CG 4.31Å; L2240-L2244 HydrophobicContact CD2-CD1 3.69Å; L2240-L2244 HydrophobicContact CD2-CG 4.39Å; L2240-L2244 HydrophobicContact CG-CD1 4.1Å; L2240-L2244 WeakPolarHBondContact O-CB 3.37Å; L2240-L2244 VanDerWaalsContact O-CG 3.28Å; L2240-L2244 WeakPolarHBondContact O-CG 3.43Å; L2240-L2244 PolarHBondContact O-N 3.21Å; M2241-L2244 PolarHBondContact O-N 3.2Å; M2241-L2244 HydrophobicContact SD-CD1 4.22Å; R2242-L2244 PolarHBondContact O-N 3.3Å; L2244-K2247 PolarHBondContact O-N 2.96Å; L2244-A2248 VanDerWaalsContact O-CB 3.28Å; L2244-A2248 WeakPolarHBondContact O-CB 3.3Å; L2244-A2248 PolarHBondContact O-N 3.15Å; L2244-I2253 HydrophobicContact CD2-CD1 4.32Å; L2244-I2253 WeakPolarHBondContact O-CD1 3.45Å; L2244-L2258 HydrophobicContact CD1-CD2 4.4Å; L2244-L2258 HydrophobicContact CD2-CD1 4.03Å; L2244-L2401 HydrophobicContact CB-CD1 3.98Å |
| 2245 | G | 77.8 | Confident | 72.8 | Confident | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -67.8 | -38.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | M2241 R2242 A2248 R2249 P2308 | M2241-G2245 PolarHBondContact O-N 3.14Å; R2242-G2245 PolarHBondContact O-N 3.18Å; G2245-A2248 PolarHBondContact O-N 3.26Å; G2245-R2249 WeakPolarHBondContact O-CB 3.35Å; G2245-R2249 PolarHBondContact O-N 3.14Å; G2245-R2249 VanDerWaalsContact O-N 3.1Å; G2245-P2308 VanDerWaalsContact CA-O 3.3Å; G2245-P2308 WeakPolarHBondContact CA-O 3.36Å; G2245-P2308 WeakPolarHBondContact O-CD 3.38Å; G2245-P2308 WeakPolarHBondContact O-CG 3.48Å |
| 2246 | E | 78.2 | Confident | 71.6 | Confident | 92.6 Ų | 92.6 | 51.5 Ų | 51.5 | 43% | 0.433 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -64.6 | -49.6 | 173.2 | -74.7 | 172.1 | 178 | 0 | 0 | 111.1 | R2242 A2248 R2249 D2250 | R2242-E2246 HydrophobicContact CG-CG 4.47Å; R2242-E2246 WeakPolarHBondContact CG-OE1 3.37Å; R2242-E2246 WeakPolarHBondContact O-CB 3.31Å; R2242-E2246 VanDerWaalsContact O-CG 3.31Å; R2242-E2246 WeakPolarHBondContact O-CG 3.35Å; R2242-E2246 PolarHBondContact O-N 3.2Å; E2246-A2248 VanDerWaalsContact C-N 3.3Å; E2246-A2248 PolarHBondContact O-N 3.05Å; E2246-R2249 WeakPolarHBondContact O-CB 3.3Å; E2246-R2249 PolarHBondContact O-N 3.05Å; E2246-R2249 VanDerWaalsContact O-N 3.11Å; E2246-D2250 WeakPolarHBondContact O-CB 3.37Å; E2246-D2250 PolarHBondContact O-N 3.19Å |
| 2247 | K | 74.3 | Confident | 70.8 | Confident | 56 Ų | 56 | 58.1 Ų | 58.1 | 24% | 0.243 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -59.9 | -37.5 | 176.4 | -75.9 | 174.9 | 174.6 | 177.3 | 0 | 112.8 | D2202 C2243 L2244 R2249 D2250 N2251 S2252 I2253 | D2202-K2247 PolarHBondContact O-NZ 3.09Å; C2243-K2247 VanDerWaalsContact O-CB 3.26Å; C2243-K2247 WeakPolarHBondContact O-CB 3.36Å; C2243-K2247 WeakPolarHBondContact O-CD 3.28Å; C2243-K2247 VanDerWaalsContact O-CG 3.26Å; C2243-K2247 WeakPolarHBondContact O-CG 3.4Å; C2243-K2247 PolarHBondContact O-N 3.07Å; C2243-K2247 VanDerWaalsContact SG-CE 3.53Å; L2244-K2247 PolarHBondContact O-N 2.96Å; K2247-R2249 VanDerWaalsContact C-N 3.32Å; K2247-D2250 PolarHBondContact O-N 3.17Å; K2247-N2251 PolarHBondContact O-N 2.99Å; K2247-S2252 WeakPolarHBondContact CA-OG 3.2Å; K2247-S2252 WeakPolarHBondContact CB-OG 3.31Å; K2247-S2252 PolarHBondContact O-N 3.29Å; K2247-S2252 VanDerWaalsContact O-N 3.1Å; K2247-S2252 PolarHBondContact O-OG 3.26Å; K2247-I2253 HydrophobicContact CB-CD1 3.87Å; K2247-I2253 VanDerWaalsContact CB-CD1 3.49Å; K2247-I2253 HydrophobicContact CB-CG1 3.74Å; K2247-I2253 VanDerWaalsContact CB-CG1 3.4Å; K2247-I2253 HydrophobicContact CD-CD1 3.43Å; K2247-I2253 VanDerWaalsContact CD-CD1 3.43Å; K2247-I2253 HydrophobicContact CD-CG1 4.43Å; K2247-I2253 HydrophobicContact CG-CD1 3.6Å; K2247-I2253 HydrophobicContact CG-CG1 4.41Å |
| 2248 | A | 74.8 | Confident | 70.5 | Confident | 20.8 Ų | 20.8 | 58.5 Ų | 58.5 | 17% | 0.172 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -66 | -40.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | L2244 G2245 E2246 D2250 N2251 I2253 P2308 L2401 | L2244-A2248 VanDerWaalsContact O-CB 3.28Å; L2244-A2248 WeakPolarHBondContact O-CB 3.3Å; L2244-A2248 PolarHBondContact O-N 3.15Å; G2245-A2248 PolarHBondContact O-N 3.26Å; E2246-A2248 VanDerWaalsContact C-N 3.3Å; E2246-A2248 PolarHBondContact O-N 3.05Å; A2248-D2250 VanDerWaalsContact C-N 3.33Å; A2248-D2250 PolarHBondContact O-N 3.04Å; A2248-N2251 PolarHBondContact O-N 3.09Å; A2248-N2251 VanDerWaalsContact O-N 3.13Å; A2248-I2253 HydrophobicContact CB-CD1 3.74Å; A2248-I2253 HydrophobicContact CB-CG1 4.35Å; A2248-P2308 HydrophobicContact CB-CG 3.93Å; A2248-L2401 HydrophobicContact CB-CB 3.94Å; A2248-L2401 HydrophobicContact CB-CD1 4.18Å |
| 2249 | R | 72.5 | Confident | 70.3 | Confident | 132.2 Ų | 132.2 | 58.3 Ų | 58.3 | 50% | 0.499 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -66.1 | -39.2 | 175.6 | -171.4 | -169.8 | -52 | -178.8 | 5.5 | 112.4 | G2245 E2246 K2247 N2251 T2306 Y2307 | G2245-R2249 WeakPolarHBondContact O-CB 3.35Å; G2245-R2249 PolarHBondContact O-N 3.14Å; G2245-R2249 VanDerWaalsContact O-N 3.1Å; E2246-R2249 WeakPolarHBondContact O-CB 3.3Å; E2246-R2249 PolarHBondContact O-N 3.05Å; E2246-R2249 VanDerWaalsContact O-N 3.11Å; K2247-R2249 VanDerWaalsContact C-N 3.32Å; R2249-N2251 PolarHBondContact O-N 3.13Å; R2249-N2251 VanDerWaalsContact O-N 3.15Å; R2249-T2306 VanDerWaalsContact CZ-O 3.28Å; R2249-T2306 PolarHBondContact NH1-O 3.08Å; R2249-T2306 VanDerWaalsContact NH1-O 3.12Å; R2249-T2306 VanDerWaalsContact NH2-C 3.29Å; R2249-T2306 PolarHBondContact NH2-O 3.14Å; R2249-T2306 VanDerWaalsContact NH2-O 3.11Å; R2249-Y2307 VanDerWaalsContact NH2-CB 3.33Å |
| 2250 | D | 66.3 | Low | 70.4 | Confident | 119 Ų | 119 | 57.2 Ų | 57.2 | 64% | 0.636 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.1 | 4.7 | 178.2 | -68.1 | -15.8 | 0 | 0 | 0 | 112.9 | E2246 K2247 A2248 S2252 | E2246-D2250 WeakPolarHBondContact O-CB 3.37Å; E2246-D2250 PolarHBondContact O-N 3.19Å; K2247-D2250 PolarHBondContact O-N 3.17Å; A2248-D2250 VanDerWaalsContact C-N 3.33Å; A2248-D2250 PolarHBondContact O-N 3.04Å; D2250-S2252 PolarHBondContact O-N 3.25Å; D2250-S2252 VanDerWaalsContact O-N 3.1Å |
| 2251 | N | 62 | Low | 70.3 | Confident | 54 Ų | 54 | 63.2 Ų | 63.2 | 29% | 0.289 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.8 | 23.7 | -178.6 | -72.9 | -34.4 | 0 | 0 | 0 | 113.4 | K2247 A2248 R2249 I2253 A2359 M2360 | K2247-N2251 PolarHBondContact O-N 2.99Å; A2248-N2251 PolarHBondContact O-N 3.09Å; A2248-N2251 VanDerWaalsContact O-N 3.13Å; R2249-N2251 PolarHBondContact O-N 3.13Å; R2249-N2251 VanDerWaalsContact O-N 3.15Å; N2251-I2253 VanDerWaalsContact C-N 3.33Å; N2251-I2253 PolarHBondContact O-N 3.37Å; N2251-A2359 PolarHBondContact ND2-O 3.2Å; N2251-M2360 HydrophobicContact CB-CE 4.01Å; N2251-M2360 HydrophobicContact CB-SD 3.67Å; N2251-M2360 VanDerWaalsContact CB-SD 3.51Å; N2251-M2360 WeakPolarHBondContact CB-SD 3.43Å; N2251-M2360 VanDerWaalsContact CG-SD 3.56Å; N2251-M2360 WeakPolarHBondContact O-CE 3.18Å; N2251-M2360 WeakPolarHBondContact OD1-CE 3.42Å |
| 2252 | S | 57 | Low | 70.2 | Confident | 73.6 Ų | 73.6 | 63.4 Ų | 63.4 | 52% | 0.515 | 33% | 0.33 | S | S | . | . | trans | -94.6 | 1 | -171.1 | 69.5 | 0 | 0 | 0 | 0 | 113.8 | K2247 D2250 D2254 | K2247-S2252 WeakPolarHBondContact CA-OG 3.2Å; K2247-S2252 WeakPolarHBondContact CB-OG 3.31Å; K2247-S2252 PolarHBondContact O-N 3.29Å; K2247-S2252 VanDerWaalsContact O-N 3.1Å; K2247-S2252 PolarHBondContact O-OG 3.26Å; D2250-S2252 PolarHBondContact O-N 3.25Å; D2250-S2252 VanDerWaalsContact O-N 3.1Å; S2252-D2254 VanDerWaalsContact C-N 3.33Å; S2252-D2254 PolarHBondContact O-N 3.06Å | ||
| 2253 | I | 53.7 | Low | 70.5 | Confident | 46.6 Ų | 46.6 | 58.4 Ų | 58.4 | 24% | 0.239 | 31% | 0.311 | C | S | . | . | trans | -98.1 | 103.3 | -177.8 | -56 | -174.3 | 0 | 0 | 0 | 110.4 | L2244 K2247 A2248 N2251 S2255 V2256 L2258 L2401 | L2244-I2253 HydrophobicContact CD2-CD1 4.32Å; L2244-I2253 WeakPolarHBondContact O-CD1 3.45Å; K2247-I2253 HydrophobicContact CB-CD1 3.87Å; K2247-I2253 VanDerWaalsContact CB-CD1 3.49Å; K2247-I2253 HydrophobicContact CB-CG1 3.74Å; K2247-I2253 VanDerWaalsContact CB-CG1 3.4Å; K2247-I2253 HydrophobicContact CD-CD1 3.43Å; K2247-I2253 VanDerWaalsContact CD-CD1 3.43Å; K2247-I2253 HydrophobicContact CD-CG1 4.43Å; K2247-I2253 HydrophobicContact CG-CD1 3.6Å; K2247-I2253 HydrophobicContact CG-CG1 4.41Å; A2248-I2253 HydrophobicContact CB-CD1 3.74Å; A2248-I2253 HydrophobicContact CB-CG1 4.35Å; N2251-I2253 VanDerWaalsContact C-N 3.33Å; N2251-I2253 PolarHBondContact O-N 3.37Å; I2253-S2255 VanDerWaalsContact C-N 3.33Å; I2253-S2255 PolarHBondContact O-N 3.26Å; I2253-S2255 VanDerWaalsContact O-N 3.08Å; I2253-V2256 HydrophobicContact CG2-CB 4.3Å; I2253-V2256 HydrophobicContact CG2-CG2 3.83Å; I2253-L2258 HydrophobicContact CG2-CD1 4.45Å; I2253-L2401 HydrophobicContact CD1-CD1 4.27Å | ||
| 2254 | D | 51.6 | Low | 70.7 | Confident | 145.6 Ų | 145.6 | 58.1 Ų | 58.1 | 78% | 0.779 | 31% | 0.307 | S | S | * | . | trans | -76.3 | 60.2 | 154.9 | -89.1 | -25.6 | 0 | 0 | 0 | 109.3 | S2252 V2256 H2257 | S2252-D2254 VanDerWaalsContact C-N 3.33Å; S2252-D2254 PolarHBondContact O-N 3.06Å; D2254-V2256 HydrophobicContact CB-CG2 3.99Å; D2254-V2256 PolarHBondContact O-N 2.93Å; D2254-H2257 PolarHBondContact O-N 3.05Å | ||
| 2255 | S | 51.3 | Low | 70.8 | Confident | 56.2 Ų | 56.2 | 59.9 Ų | 59.9 | 39% | 0.393 | 32% | 0.315 | S | S | . | . | S | Bend | trans | -74.7 | 15.2 | -171.7 | 57 | 0 | 0 | 0 | 0 | 115 | I2253 H2257 L2258 Y2399 | I2253-S2255 VanDerWaalsContact C-N 3.33Å; I2253-S2255 PolarHBondContact O-N 3.26Å; I2253-S2255 VanDerWaalsContact O-N 3.08Å; S2255-H2257 VanDerWaalsContact C-N 3.35Å; S2255-H2257 PolarHBondContact O-N 2.96Å; S2255-L2258 PolarHBondContact O-N 2.93Å; S2255-Y2399 WeakPolarHBondContact CB-O 3.31Å; S2255-Y2399 PolarHBondContact OG-O 3.25Å |
| 2256 | V | 53.4 | Low | 71.1 | Confident | 65 Ų | 65 | 59.9 Ų | 59.9 | 39% | 0.394 | 32% | 0.315 | S | S | . | . | trans | -86.4 | 61.4 | -176.9 | -176.4 | 0 | 0 | 0 | 0 | 110.9 | L2199 I2253 D2254 L2258 | L2199-V2256 HydrophobicContact CD1-CB 4.5Å; L2199-V2256 HydrophobicContact CD1-CG1 3.83Å; L2199-V2256 VanDerWaalsContact CD1-CG1 3.47Å; L2199-V2256 HydrophobicContact CD1-CG2 4.17Å; I2253-V2256 HydrophobicContact CG2-CB 4.3Å; I2253-V2256 HydrophobicContact CG2-CG2 3.83Å; D2254-V2256 HydrophobicContact CB-CG2 3.99Å; D2254-V2256 PolarHBondContact O-N 2.93Å; V2256-L2258 VanDerWaalsContact C-N 3.34Å; V2256-L2258 HydrophobicContact CB-CD1 4.07Å; V2256-L2258 HydrophobicContact CG1-CD1 3.49Å; V2256-L2258 VanDerWaalsContact CG1-CD1 3.49Å; V2256-L2258 HydrophobicContact CG1-CG 3.7Å; V2256-L2258 WeakPolarHBondContact O-CA 3.17Å; V2256-L2258 WeakPolarHBondContact O-CG 3.17Å; V2256-L2258 PolarHBondContact O-N 3.07Å | ||
| 2257 | H | 64.8 | Low | 71.4 | Confident | 139.8 Ų | 139.8 | 55.5 Ų | 55.5 | 65% | 0.647 | 29% | 0.294 | S | S | * | . | trans | -72.8 | 33.5 | 176.4 | -63.5 | -42.8 | 0 | 0 | 0 | 114 | K2198 D2254 S2255 T2259 L2262 | K2198-H2257 PolarHBondContact NZ-NE2 3.45Å; D2254-H2257 PolarHBondContact O-N 3.05Å; S2255-H2257 VanDerWaalsContact C-N 3.35Å; S2255-H2257 PolarHBondContact O-N 2.96Å; H2257-T2259 PolarHBondContact O-N 2.78Å; H2257-L2262 VanDerWaalsContact O-CD2 3.23Å; H2257-L2262 WeakPolarHBondContact O-CD2 3.49Å | ||
| 2258 | L | 75.9 | Confident | 71.7 | Confident | 8.6 Ų | 8.6 | 56.2 Ų | 56.2 | 5% | 0.045 | 30% | 0.295 | C | S | . | . | trans | -83 | 122.3 | 175.6 | -77.8 | 161 | 0 | 0 | 0 | 109.1 | L2199 L2244 I2253 S2255 V2256 L2262 M2263 L2311 Y2399 L2401 | L2199-L2258 HydrophobicContact CD1-CD2 3.97Å; L2199-L2258 HydrophobicContact CD2-CD2 4.05Å; L2244-L2258 HydrophobicContact CD1-CD2 4.4Å; L2244-L2258 HydrophobicContact CD2-CD1 4.03Å; I2253-L2258 HydrophobicContact CG2-CD1 4.45Å; S2255-L2258 PolarHBondContact O-N 2.93Å; V2256-L2258 VanDerWaalsContact C-N 3.34Å; V2256-L2258 HydrophobicContact CB-CD1 4.07Å; V2256-L2258 HydrophobicContact CG1-CD1 3.49Å; V2256-L2258 VanDerWaalsContact CG1-CD1 3.49Å; V2256-L2258 HydrophobicContact CG1-CG 3.7Å; V2256-L2258 WeakPolarHBondContact O-CA 3.17Å; V2256-L2258 WeakPolarHBondContact O-CG 3.17Å; V2256-L2258 PolarHBondContact O-N 3.07Å; L2258-L2262 HydrophobicContact CD2-CD2 4.27Å; L2258-M2263 HydrophobicContact CD2-CG 4.17Å; L2258-M2263 HydrophobicContact CD2-SD 3.89Å; L2258-M2263 WeakPolarHBondContact CD2-SD 3.37Å; L2258-L2311 HydrophobicContact CB-CD1 3.73Å; L2258-L2311 HydrophobicContact CB-CD2 4.12Å; L2258-L2311 HydrophobicContact CD1-CD1 4.35Å; L2258-Y2399 VanDerWaalsContact O-CD2 3.28Å; L2258-Y2399 WeakPolarHBondContact O-CD2 3.35Å; L2258-L2401 HydrophobicContact CD1-CD1 4.08Å; L2258-L2401 HydrophobicContact CD1-CD2 4.4Å; L2258-L2401 HydrophobicContact CD1-CG 4.26Å | ||
| 2259 | T | 79.5 | Confident | 71.9 | Confident | 40.6 Ų | 40.6 | 55.2 Ų | 55.2 | 25% | 0.249 | 29% | 0.287 | C | S | . | . | trans | -113.8 | 155.9 | 174.8 | 61.3 | 0 | 0 | 0 | 0 | 110.5 | H2257 D2261 L2262 M2263 L2311 | H2257-T2259 PolarHBondContact O-N 2.78Å; T2259-D2261 VanDerWaalsContact C-N 3.27Å; T2259-D2261 PolarHBondContact O-N 3.2Å; T2259-L2262 WeakPolarHBondContact O-CB 3.39Å; T2259-L2262 PolarHBondContact O-N 3.08Å; T2259-L2262 VanDerWaalsContact O-N 3.13Å; T2259-L2262 WeakPolarHBondContact OG1-CB 3.31Å; T2259-L2262 PolarHBondContact OG1-N 3.26Å; T2259-M2263 PolarHBondContact O-N 3.01Å; T2259-L2311 VanDerWaalsContact C-CD2 3.44Å; T2259-L2311 WeakPolarHBondContact O-CD2 3.4Å | ||
| 2260 | P | 80 | Confident | 72.4 | Confident | 10.6 Ų | 10.6 | 48.9 Ų | 48.9 | 7% | 0.069 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -54.5 | -40.2 | 175.5 | -28 | 36 | 0 | 0 | 0 | 112.9 | L2262 M2263 L2264 Y2399 C2488 Y2489 | P2260-L2262 VanDerWaalsContact C-N 3.35Å; P2260-L2262 PolarHBondContact O-N 3.04Å; P2260-M2263 PolarHBondContact O-N 3.32Å; P2260-L2264 WeakPolarHBondContact O-CB 3.4Å; P2260-L2264 WeakPolarHBondContact O-CG 3.33Å; P2260-L2264 PolarHBondContact O-N 3.18Å; P2260-Y2399 HydrophobicContact CG-CD1 4.2Å; P2260-Y2399 HydrophobicContact CG-CE1 3.54Å; P2260-Y2399 VanDerWaalsContact CG-CE1 3.49Å; P2260-C2488 WeakPolarHBondContact CB-O 3.21Å; P2260-C2488 HydrophobicContact CG-CB 4.4Å; P2260-Y2489 HydrophobicContact CB-CD1 4.05Å; P2260-Y2489 HydrophobicContact CB-CE1 3.7Å |
| 2261 | D | 79.9 | Confident | 73.1 | Confident | 125.6 Ų | 125.6 | 44 Ų | 44 | 67% | 0.672 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -64.6 | -41.1 | 178.3 | -63.1 | -38.7 | 0 | 0 | 0 | 112.4 | T2259 M2263 L2264 F2265 | T2259-D2261 VanDerWaalsContact C-N 3.27Å; T2259-D2261 PolarHBondContact O-N 3.2Å; D2261-M2263 VanDerWaalsContact C-N 3.33Å; D2261-M2263 PolarHBondContact O-N 2.81Å; D2261-L2264 PolarHBondContact O-N 3.08Å; D2261-F2265 WeakPolarHBondContact O-CB 3.47Å; D2261-F2265 PolarHBondContact O-N 3.2Å |
| 2262 | L | 83 | Confident | 73.9 | Confident | 4.8 Ų | 4.8 | 45.7 Ų | 45.7 | 3% | 0.025 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -65.3 | -40 | 175.7 | -178.4 | 61 | 0 | 0 | 0 | 111.2 | N2193 Q2195 L2196 L2199 H2257 L2258 T2259 P2260 F2265 I2266 | N2193-L2262 WeakPolarHBondContact ND2-CD1 3.4Å; Q2195-L2262 HydrophobicContact CB-CD1 4.07Å; Q2195-L2262 HydrophobicContact CB-CD2 4.09Å; L2196-L2262 HydrophobicContact CB-CD1 3.92Å; L2199-L2262 HydrophobicContact CD1-CD2 4.48Å; H2257-L2262 VanDerWaalsContact O-CD2 3.23Å; H2257-L2262 WeakPolarHBondContact O-CD2 3.49Å; L2258-L2262 HydrophobicContact CD2-CD2 4.27Å; T2259-L2262 WeakPolarHBondContact O-CB 3.39Å; T2259-L2262 PolarHBondContact O-N 3.08Å; T2259-L2262 VanDerWaalsContact O-N 3.13Å; T2259-L2262 WeakPolarHBondContact OG1-CB 3.31Å; T2259-L2262 PolarHBondContact OG1-N 3.26Å; P2260-L2262 VanDerWaalsContact C-N 3.35Å; P2260-L2262 PolarHBondContact O-N 3.04Å; L2262-F2265 WeakPolarHBondContact O-CB 3.39Å; L2262-F2265 PolarHBondContact O-N 3.26Å; L2262-I2266 HydrophobicContact CG-CD1 4.31Å; L2262-I2266 VanDerWaalsContact O-CG1 3.3Å; L2262-I2266 WeakPolarHBondContact O-CG1 3.34Å; L2262-I2266 PolarHBondContact O-N 3.13Å |
| 2263 | M | 85.7 | Confident | 74.8 | Confident | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -66.2 | -42.9 | 176.1 | -89.6 | -46.6 | -76.9 | 0 | 0 | 112.5 | M2241 L2258 T2259 P2260 D2261 F2265 I2266 Y2267 F2302 L2311 | M2241-M2263 HydrophobicContact CE-CE 4.06Å; M2241-M2263 HydrophobicContact SD-CE 4.11Å; L2258-M2263 HydrophobicContact CD2-CG 4.17Å; L2258-M2263 HydrophobicContact CD2-SD 3.89Å; L2258-M2263 WeakPolarHBondContact CD2-SD 3.37Å; T2259-M2263 PolarHBondContact O-N 3.01Å; P2260-M2263 PolarHBondContact O-N 3.32Å; D2261-M2263 VanDerWaalsContact C-N 3.33Å; D2261-M2263 PolarHBondContact O-N 2.81Å; M2263-F2265 VanDerWaalsContact C-N 3.26Å; M2263-F2265 PolarHBondContact O-N 3.11Å; M2263-I2266 WeakPolarHBondContact O-CB 3.35Å; M2263-I2266 PolarHBondContact O-N 3.16Å; M2263-I2266 VanDerWaalsContact O-N 3.16Å; M2263-I2266 HydrophobicContact SD-CD1 3.93Å; M2263-Y2267 HydrophobicContact CB-CE2 4.31Å; M2263-Y2267 HydrophobicContact CE-CD1 4.38Å; M2263-Y2267 HydrophobicContact CE-CE1 3.78Å; M2263-Y2267 VanDerWaalsContact CE-CE1 3.5Å; M2263-Y2267 WeakPolarHBondContact CE-OH 3.33Å; M2263-Y2267 HydrophobicContact CG-CE1 4.24Å; M2263-Y2267 HydrophobicContact CG-CE2 3.85Å; M2263-Y2267 VanDerWaalsContact O-CD2 3.23Å; M2263-Y2267 WeakPolarHBondContact O-CD2 3.42Å; M2263-Y2267 VanDerWaalsContact O-CG 3.29Å; M2263-Y2267 PolarHBondContact O-N 3.02Å; M2263-F2302 HydrophobicContact CE-CD1 4.21Å; M2263-L2311 HydrophobicContact CB-CD2 4.38Å; M2263-L2311 HydrophobicContact CG-CB 3.9Å; M2263-L2311 HydrophobicContact CG-CD2 3.58Å; M2263-L2311 HydrophobicContact CG-CG 4.26Å |
| 2264 | L | 82.3 | Confident | 76 | Confident | 20 Ų | 20 | 41.7 Ų | 41.7 | 11% | 0.105 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -60.3 | -37.9 | 172.7 | -72.7 | 176.5 | 0 | 0 | 0 | 111.7 | P2260 D2261 Y2267 R2268 Y2489 F2497 | P2260-L2264 WeakPolarHBondContact O-CB 3.4Å; P2260-L2264 WeakPolarHBondContact O-CG 3.33Å; P2260-L2264 PolarHBondContact O-N 3.18Å; D2261-L2264 PolarHBondContact O-N 3.08Å; L2264-Y2267 HydrophobicContact CD2-CD2 4.22Å; L2264-Y2267 PolarHBondContact O-N 3.11Å; L2264-R2268 WeakPolarHBondContact O-CB 3.46Å; L2264-R2268 VanDerWaalsContact O-CG 3.26Å; L2264-R2268 WeakPolarHBondContact O-CG 3.42Å; L2264-R2268 PolarHBondContact O-N 3.3Å; L2264-R2268 VanDerWaalsContact O-N 3.12Å; L2264-Y2489 HydrophobicContact CD1-CD1 4.08Å; L2264-Y2489 HydrophobicContact CD1-CE1 4.43Å; L2264-Y2489 HydrophobicContact CD2-CD1 4.06Å; L2264-Y2489 HydrophobicContact CD2-CE1 4.24Å; L2264-Y2489 HydrophobicContact CG-CD1 3.97Å; L2264-Y2489 HydrophobicContact CG-CE1 4.02Å; L2264-F2497 HydrophobicContact CD2-CE2 4.28Å; L2264-F2497 HydrophobicContact CD2-CZ 4.38Å |
| 2265 | F | 82.6 | Confident | 76.9 | Confident | 46 Ų | 46 | 37.4 Ų | 37.4 | 20% | 0.202 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -63.8 | -45.6 | 173.9 | -171.2 | -93.2 | 0 | 0 | 0 | 111.4 | Q2192 N2193 L2196 D2261 L2262 M2263 Y2267 R2268 T2269 | Q2192-F2265 HydrophobicContact CB-CE2 4.27Å; Q2192-F2265 HydrophobicContact CB-CZ 3.77Å; N2193-F2265 HydrophobicContact CB-CD1 3.94Å; N2193-F2265 HydrophobicContact CB-CE1 3.57Å; N2193-F2265 HydrophobicContact CB-CE2 4.44Å; N2193-F2265 HydrophobicContact CB-CG 4.43Å; N2193-F2265 HydrophobicContact CB-CZ 3.9Å; L2196-F2265 HydrophobicContact CB-CD1 4.4Å; L2196-F2265 HydrophobicContact CB-CE1 4.42Å; L2196-F2265 HydrophobicContact CD1-CD1 3.69Å; L2196-F2265 HydrophobicContact CD1-CE1 3.9Å; L2196-F2265 HydrophobicContact CD2-CD1 3.8Å; L2196-F2265 HydrophobicContact CD2-CE1 3.62Å; D2261-F2265 WeakPolarHBondContact O-CB 3.47Å; D2261-F2265 PolarHBondContact O-N 3.2Å; L2262-F2265 WeakPolarHBondContact O-CB 3.39Å; L2262-F2265 PolarHBondContact O-N 3.26Å; M2263-F2265 VanDerWaalsContact C-N 3.26Å; M2263-F2265 PolarHBondContact O-N 3.11Å; F2265-Y2267 VanDerWaalsContact C-N 3.34Å; F2265-Y2267 PolarHBondContact O-N 3.34Å; F2265-R2268 PolarHBondContact O-N 3.25Å; F2265-T2269 VanDerWaalsContact CE1-OG1 3.3Å; F2265-T2269 WeakPolarHBondContact CE1-OG1 3.43Å; F2265-T2269 VanDerWaalsContact O-CB 3.3Å; F2265-T2269 WeakPolarHBondContact O-CB 3.4Å; F2265-T2269 PolarHBondContact O-N 3Å; F2265-T2269 PolarHBondContact O-OG1 3.12Å |
| 2266 | I | 84.9 | Confident | 77.8 | Confident | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -56.3 | -48.8 | 174.7 | -69.6 | 163.2 | 0 | 0 | 0 | 111.1 | L2196 L2199 F2237 L2240 L2262 M2263 R2268 T2269 A2270 F2302 | L2196-I2266 HydrophobicContact CD1-CD1 4Å; L2196-I2266 HydrophobicContact CD1-CG1 3.54Å; L2196-I2266 VanDerWaalsContact CD1-CG1 3.48Å; L2199-I2266 HydrophobicContact CD2-CD1 3.96Å; F2237-I2266 HydrophobicContact CD1-CG2 4.29Å; F2237-I2266 HydrophobicContact CE1-CG2 4.49Å; L2240-I2266 HydrophobicContact CD2-CG2 4.45Å; L2262-I2266 HydrophobicContact CG-CD1 4.31Å; L2262-I2266 VanDerWaalsContact O-CG1 3.3Å; L2262-I2266 WeakPolarHBondContact O-CG1 3.34Å; L2262-I2266 PolarHBondContact O-N 3.13Å; M2263-I2266 WeakPolarHBondContact O-CB 3.35Å; M2263-I2266 PolarHBondContact O-N 3.16Å; M2263-I2266 VanDerWaalsContact O-N 3.16Å; M2263-I2266 HydrophobicContact SD-CD1 3.93Å; I2266-R2268 VanDerWaalsContact C-N 3.33Å; I2266-R2268 PolarHBondContact O-N 3.08Å; I2266-T2269 PolarHBondContact O-N 3.33Å; I2266-A2270 VanDerWaalsContact O-CB 3.29Å; I2266-A2270 WeakPolarHBondContact O-CB 3.25Å; I2266-A2270 PolarHBondContact O-N 3.17Å; I2266-F2302 HydrophobicContact CG2-CE1 3.86Å; I2266-F2302 HydrophobicContact CG2-CZ 4.17Å |
| 2267 | Y | 83.9 | Confident | 78.4 | Confident | 1.2 Ų | 1.2 | 40.2 Ų | 40.2 | 1% | 0.005 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -58.6 | -45.8 | 178.6 | -60.7 | -39.7 | 0 | 0 | 0 | 112 | M2263 L2264 F2265 T2269 A2270 V2271 F2302 F2496 F2497 | M2263-Y2267 HydrophobicContact CB-CE2 4.31Å; M2263-Y2267 HydrophobicContact CE-CD1 4.38Å; M2263-Y2267 HydrophobicContact CE-CE1 3.78Å; M2263-Y2267 VanDerWaalsContact CE-CE1 3.5Å; M2263-Y2267 WeakPolarHBondContact CE-OH 3.33Å; M2263-Y2267 HydrophobicContact CG-CE1 4.24Å; M2263-Y2267 HydrophobicContact CG-CE2 3.85Å; M2263-Y2267 VanDerWaalsContact O-CD2 3.23Å; M2263-Y2267 WeakPolarHBondContact O-CD2 3.42Å; M2263-Y2267 VanDerWaalsContact O-CG 3.29Å; M2263-Y2267 PolarHBondContact O-N 3.02Å; L2264-Y2267 HydrophobicContact CD2-CD2 4.22Å; L2264-Y2267 PolarHBondContact O-N 3.11Å; F2265-Y2267 VanDerWaalsContact C-N 3.34Å; F2265-Y2267 PolarHBondContact O-N 3.34Å; Y2267-T2269 VanDerWaalsContact C-N 3.34Å; Y2267-T2269 PolarHBondContact O-N 3.49Å; Y2267-A2270 PolarHBondContact O-N 3.17Å; Y2267-V2271 VanDerWaalsContact O-CG2 3.31Å; Y2267-V2271 WeakPolarHBondContact O-CG2 3.32Å; Y2267-V2271 PolarHBondContact O-N 3.13Å; Y2267-V2271 VanDerWaalsContact O-N 3.08Å; Y2267-F2302 HydrophobicContact CD1-CB 4.3Å; Y2267-F2302 AromaticContact CD1-CD1 3.56Å; Y2267-F2302 HydrophobicContact CD1-CD1 3.56Å; Y2267-F2302 AromaticContact CD1-CD2 3.93Å; Y2267-F2302 HydrophobicContact CD1-CD2 3.98Å; Y2267-F2302 AromaticContact CD1-CE1 3.71Å; Y2267-F2302 HydrophobicContact CD1-CE1 3.71Å; Y2267-F2302 HydrophobicContact CD1-CE2 4.13Å; Y2267-F2302 AromaticContact CD1-CG 3.69Å; Y2267-F2302 HydrophobicContact CD1-CG 3.69Å; Y2267-F2302 AromaticContact CD1-CZ 3.9Å; Y2267-F2302 HydrophobicContact CD1-CZ 4Å; Y2267-F2302 HydrophobicContact CE1-CB 3.78Å; Y2267-F2302 AromaticContact CE1-CD1 3.31Å; Y2267-F2302 HydrophobicContact CE1-CD1 3.31Å; Y2267-F2302 VanDerWaalsContact CE1-CD1 3.42Å; Y2267-F2302 HydrophobicContact CE1-CD2 4.29Å; Y2267-F2302 AromaticContact CE1-CE1 3.82Å; Y2267-F2302 HydrophobicContact CE1-CE1 3.87Å; Y2267-F2302 AromaticContact CE1-CG 3.54Å; Y2267-F2302 HydrophobicContact CE1-CG 3.54Å; Y2267-F2302 VanDerWaalsContact CE1-CG 3.47Å; Y2267-F2302 HydrophobicContact CE1-CZ 4.46Å; Y2267-F2496 HydrophobicContact CD1-CE1 4.33Å; Y2267-F2496 HydrophobicContact CD1-CZ 4.35Å; Y2267-F2496 HydrophobicContact CD2-CD1 4.46Å; Y2267-F2496 AromaticContact CD2-CE1 3.63Å; Y2267-F2496 HydrophobicContact CD2-CE1 3.63Å; Y2267-F2496 HydrophobicContact CD2-CZ 4.27Å; Y2267-F2496 HydrophobicContact CE2-CE1 4.12Å; Y2267-F2496 AromaticContact CG-CE1 3.77Å; Y2267-F2496 HydrophobicContact CG-CE1 3.77Å; Y2267-F2496 AromaticContact CG-CZ 3.93Å; Y2267-F2496 HydrophobicContact CG-CZ 3.93Å; Y2267-F2497 AromaticContact CE2-CE1 3.92Å; Y2267-F2497 HydrophobicContact CE2-CE1 3.95Å; Y2267-F2497 AromaticContact CE2-CZ 3.9Å; Y2267-F2497 HydrophobicContact CE2-CZ 3.9Å |
| 2268 | R | 79.6 | Confident | 78.3 | Confident | 69 Ų | 69 | 36.1 Ų | 36.1 | 26% | 0.26 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -62.4 | -46.2 | 178.8 | -72.4 | 173.5 | -173.9 | 160.1 | 6.6 | 111.7 | L2264 F2265 I2266 A2270 V2271 Q2272 T2733 L2737 | L2264-R2268 WeakPolarHBondContact O-CB 3.46Å; L2264-R2268 VanDerWaalsContact O-CG 3.26Å; L2264-R2268 WeakPolarHBondContact O-CG 3.42Å; L2264-R2268 PolarHBondContact O-N 3.3Å; L2264-R2268 VanDerWaalsContact O-N 3.12Å; F2265-R2268 PolarHBondContact O-N 3.25Å; I2266-R2268 VanDerWaalsContact C-N 3.33Å; I2266-R2268 PolarHBondContact O-N 3.08Å; R2268-A2270 VanDerWaalsContact C-N 3.33Å; R2268-A2270 PolarHBondContact O-N 3.33Å; R2268-V2271 PolarHBondContact O-N 3.16Å; R2268-Q2272 WeakPolarHBondContact O-CG 3.37Å; R2268-Q2272 PolarHBondContact O-N 3.22Å; R2268-Q2272 VanDerWaalsContact O-N 3.16Å; R2268-T2733 VanDerWaalsContact CZ-O 3.25Å; R2268-T2733 PolarHBondContact NE-O 2.73Å; R2268-T2733 VanDerWaalsContact NH1-CB 3.28Å; R2268-T2733 PolarHBondContact NH1-O 3.12Å; R2268-T2733 PolarHBondContact NH1-OG1 3.23Å; R2268-T2733 VanDerWaalsContact NH2-C 3.3Å; R2268-T2733 VanDerWaalsContact NH2-CB 3.27Å; R2268-T2733 PolarHBondContact NH2-O 3.36Å; R2268-T2733 PolarHBondContact NH2-OG1 3.2Å; R2268-L2737 HydrophobicContact CG-CD1 3.56Å; R2268-L2737 VanDerWaalsContact CG-CD1 3.45Å; R2268-L2737 HydrophobicContact CG-CG 4.28Å; R2268-L2737 VanDerWaalsContact NE-CD1 3.28Å |
| 2269 | T | 80 | Confident | 77.5 | Confident | 1.6 Ų | 1.6 | 39.3 Ų | 39.3 | 1% | 0.01 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -63.1 | -45.1 | 179.5 | -54.2 | 0 | 0 | 0 | 0 | 110.4 | L2189 F2237 F2265 I2266 Y2267 V2271 Q2272 Y2273 | L2189-T2269 HydrophobicContact CD2-CG2 3.57Å; L2189-T2269 VanDerWaalsContact CD2-CG2 3.47Å; F2237-T2269 HydrophobicContact CE1-CG2 4.26Å; F2237-T2269 HydrophobicContact CZ-CG2 3.73Å; F2265-T2269 VanDerWaalsContact CE1-OG1 3.3Å; F2265-T2269 WeakPolarHBondContact CE1-OG1 3.43Å; F2265-T2269 VanDerWaalsContact O-CB 3.3Å; F2265-T2269 WeakPolarHBondContact O-CB 3.4Å; F2265-T2269 PolarHBondContact O-N 3Å; F2265-T2269 PolarHBondContact O-OG1 3.12Å; I2266-T2269 PolarHBondContact O-N 3.33Å; Y2267-T2269 VanDerWaalsContact C-N 3.34Å; Y2267-T2269 PolarHBondContact O-N 3.49Å; T2269-V2271 VanDerWaalsContact C-N 3.33Å; T2269-V2271 PolarHBondContact O-N 3.21Å; T2269-Q2272 WeakPolarHBondContact O-CB 3.39Å; T2269-Q2272 PolarHBondContact O-N 3.09Å; T2269-Q2272 VanDerWaalsContact O-N 3.14Å; T2269-Y2273 HydrophobicContact CG2-CD2 3.77Å; T2269-Y2273 HydrophobicContact CG2-CE2 3.55Å; T2269-Y2273 VanDerWaalsContact CG2-CE2 3.5Å; T2269-Y2273 VanDerWaalsContact O-CD2 3.27Å; T2269-Y2273 WeakPolarHBondContact O-CD2 3.39Å; T2269-Y2273 PolarHBondContact O-N 3.26Å; T2269-Y2273 VanDerWaalsContact O-N 3.08Å |
| 2270 | A | 82.9 | Confident | 76.2 | Confident | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -58.7 | -43 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | F2237 I2266 Y2267 R2268 Y2273 Y2274 W2297 F2302 | F2237-A2270 HydrophobicContact CB-CB 4.29Å; F2237-A2270 HydrophobicContact CD1-CB 3.82Å; F2237-A2270 HydrophobicContact CD2-CB 4.08Å; F2237-A2270 HydrophobicContact CE1-CB 4.19Å; F2237-A2270 HydrophobicContact CE2-CB 4.44Å; F2237-A2270 HydrophobicContact CG-CB 3.78Å; F2237-A2270 HydrophobicContact CZ-CB 4.46Å; I2266-A2270 VanDerWaalsContact O-CB 3.29Å; I2266-A2270 WeakPolarHBondContact O-CB 3.25Å; I2266-A2270 PolarHBondContact O-N 3.17Å; Y2267-A2270 PolarHBondContact O-N 3.17Å; R2268-A2270 VanDerWaalsContact C-N 3.33Å; R2268-A2270 PolarHBondContact O-N 3.33Å; A2270-Y2273 PolarHBondContact O-N 3.24Å; A2270-Y2274 WeakPolarHBondContact O-CB 3.33Å; A2270-Y2274 PolarHBondContact O-N 3.19Å; A2270-W2297 HydrophobicContact CB-CH2 4.01Å; A2270-W2297 HydrophobicContact CB-CZ3 4.31Å; A2270-F2302 HydrophobicContact CB-CE2 3.77Å; A2270-F2302 HydrophobicContact CB-CZ 3.59Å |
| 2271 | V | 80.5 | Confident | 74.5 | Confident | 16.2 Ų | 16.2 | 45.4 Ų | 45.4 | 10% | 0.098 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -63.9 | -42.1 | 175.3 | 172.6 | 0 | 0 | 0 | 0 | 111.7 | Y2267 R2268 T2269 Y2273 Y2274 L2275 L2294 L2298 F2740 | Y2267-V2271 VanDerWaalsContact O-CG2 3.31Å; Y2267-V2271 WeakPolarHBondContact O-CG2 3.32Å; Y2267-V2271 PolarHBondContact O-N 3.13Å; Y2267-V2271 VanDerWaalsContact O-N 3.08Å; R2268-V2271 PolarHBondContact O-N 3.16Å; T2269-V2271 VanDerWaalsContact C-N 3.33Å; T2269-V2271 PolarHBondContact O-N 3.21Å; V2271-Y2273 VanDerWaalsContact C-N 3.34Å; V2271-Y2273 PolarHBondContact O-N 3.19Å; V2271-Y2274 PolarHBondContact O-N 3.14Å; V2271-L2275 HydrophobicContact CG1-CD1 3.98Å; V2271-L2275 HydrophobicContact CG1-CG 4.42Å; V2271-L2275 WeakPolarHBondContact O-CB 3.05Å; V2271-L2275 WeakPolarHBondContact O-CD1 3.41Å; V2271-L2275 VanDerWaalsContact O-CG 3.27Å; V2271-L2275 WeakPolarHBondContact O-CG 3.36Å; V2271-L2275 PolarHBondContact O-N 3.18Å; V2271-L2294 HydrophobicContact CG1-CD2 4.45Å; V2271-L2298 HydrophobicContact CG2-CD1 4.12Å; V2271-L2298 HydrophobicContact CG2-CD2 3.9Å; V2271-F2740 HydrophobicContact CG1-CD2 4.34Å; V2271-F2740 HydrophobicContact CG1-CE2 3.59Å; V2271-F2740 VanDerWaalsContact CG1-CE2 3.46Å; V2271-F2740 HydrophobicContact CG1-CZ 3.95Å |
| 2272 | Q | 79 | Confident | 72.6 | Confident | 89.6 Ų | 89.6 | 49 Ų | 49 | 42% | 0.419 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -60.3 | -44.2 | 177.1 | -73.2 | 175 | -4.5 | 0 | 0 | 112.1 | R2268 T2269 L2275 R2276 L2736 | R2268-Q2272 WeakPolarHBondContact O-CG 3.37Å; R2268-Q2272 PolarHBondContact O-N 3.22Å; R2268-Q2272 VanDerWaalsContact O-N 3.16Å; T2269-Q2272 WeakPolarHBondContact O-CB 3.39Å; T2269-Q2272 PolarHBondContact O-N 3.09Å; T2269-Q2272 VanDerWaalsContact O-N 3.14Å; Q2272-L2275 PolarHBondContact O-N 3.07Å; Q2272-R2276 WeakPolarHBondContact O-CB 3.29Å; Q2272-R2276 PolarHBondContact O-N 3.15Å; Q2272-R2276 VanDerWaalsContact O-N 3.13Å; Q2272-L2736 HydrophobicContact CG-CD1 3.9Å; Q2272-L2736 VanDerWaalsContact NE2-CD1 3.29Å |
| 2273 | Y | 77.1 | Confident | 70.7 | Confident | 18 Ų | 18 | 54.3 Ų | 54.3 | 7% | 0.071 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -69.9 | -40.2 | 178 | -78.1 | -77 | 0 | 0 | 0 | 112.3 | L2189 P2232 F2237 T2269 A2270 V2271 L2275 R2276 D2277 | L2189-Y2273 HydrophobicContact CD2-CE2 4.26Å; P2232-Y2273 HydrophobicContact CG-CD1 4.31Å; P2232-Y2273 HydrophobicContact CG-CE1 3.64Å; P2232-Y2273 HydrophobicContact CG-CE2 4Å; P2232-Y2273 VanDerWaalsContact CG-CZ 3.45Å; P2232-Y2273 WeakPolarHBondContact CG-OH 3.5Å; P2232-Y2273 WeakPolarHBondContact O-CD1 3.33Å; P2232-Y2273 VanDerWaalsContact O-CE1 3.29Å; P2232-Y2273 WeakPolarHBondContact O-CE1 3.35Å; F2237-Y2273 AromaticContact CE2-CD2 3.78Å; F2237-Y2273 HydrophobicContact CE2-CD2 3.78Å; F2237-Y2273 HydrophobicContact CE2-CG 4.17Å; F2237-Y2273 AromaticContact CZ-CD2 3.91Å; F2237-Y2273 HydrophobicContact CZ-CD2 3.96Å; F2237-Y2273 HydrophobicContact CZ-CE2 4.42Å; T2269-Y2273 HydrophobicContact CG2-CD2 3.77Å; T2269-Y2273 HydrophobicContact CG2-CE2 3.55Å; T2269-Y2273 VanDerWaalsContact CG2-CE2 3.5Å; T2269-Y2273 VanDerWaalsContact O-CD2 3.27Å; T2269-Y2273 WeakPolarHBondContact O-CD2 3.39Å; T2269-Y2273 PolarHBondContact O-N 3.26Å; T2269-Y2273 VanDerWaalsContact O-N 3.08Å; A2270-Y2273 PolarHBondContact O-N 3.24Å; V2271-Y2273 VanDerWaalsContact C-N 3.34Å; V2271-Y2273 PolarHBondContact O-N 3.19Å; Y2273-L2275 VanDerWaalsContact C-N 3.31Å; Y2273-L2275 PolarHBondContact O-N 3.18Å; Y2273-R2276 WeakPolarHBondContact O-CB 3.29Å; Y2273-R2276 PolarHBondContact O-N 3.37Å; Y2273-R2276 VanDerWaalsContact O-N 3.15Å; Y2273-D2277 WeakPolarHBondContact O-CB 3.29Å; Y2273-D2277 PolarHBondContact O-N 3.13Å |
| 2274 | Y | 77.1 | Confident | 68.5 | Low | 16.6 Ų | 16.6 | 64.2 Ų | 64.2 | 7% | 0.065 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -56.2 | -48.5 | 173.9 | -176.8 | -80.7 | 0 | 0 | 0 | 111.7 | R2234 A2270 V2271 R2276 D2277 V2278 M2290 H2292 S2293 L2294 W2297 | R2234-Y2274 VanDerWaalsContact CD-CD2 3.46Å; R2234-Y2274 HydrophobicContact CG-CD2 4.11Å; R2234-Y2274 HydrophobicContact CG-CG 4.45Å; R2234-Y2274 PolarHBondContact NE-O 2.96Å; R2234-Y2274 PolarHBondContact NH2-O 3.29Å; A2270-Y2274 WeakPolarHBondContact O-CB 3.33Å; A2270-Y2274 PolarHBondContact O-N 3.19Å; V2271-Y2274 PolarHBondContact O-N 3.14Å; Y2274-R2276 VanDerWaalsContact C-N 3.29Å; Y2274-R2276 PolarHBondContact O-N 3.27Å; Y2274-D2277 PolarHBondContact O-N 3.13Å; Y2274-V2278 HydrophobicContact CD1-CG2 4.11Å; Y2274-V2278 HydrophobicContact CE1-CG2 3.7Å; Y2274-V2278 VanDerWaalsContact CE1-CG2 3.47Å; Y2274-V2278 HydrophobicContact CE2-CG2 4.47Å; Y2274-V2278 WeakPolarHBondContact O-CG2 3.24Å; Y2274-V2278 PolarHBondContact O-N 3.17Å; Y2274-V2278 VanDerWaalsContact O-N 3.08Å; Y2274-M2290 HydrophobicContact CE1-CE 4.3Å; Y2274-H2292 PolarHBondContact OH-O 3.16Å; Y2274-S2293 WeakPolarHBondContact OH-CB 3.47Å; Y2274-S2293 PolarHBondContact OH-O 3.38Å; Y2274-S2293 PolarHBondContact OH-OG 3.42Å; Y2274-L2294 HydrophobicContact CD1-CB 4.26Å; Y2274-L2294 HydrophobicContact CD1-CD1 3.44Å; Y2274-L2294 VanDerWaalsContact CD1-CD1 3.42Å; Y2274-L2294 HydrophobicContact CD1-CG 4.34Å; Y2274-L2294 HydrophobicContact CD2-CD1 4.19Å; Y2274-L2294 HydrophobicContact CE1-CB 3.77Å; Y2274-L2294 HydrophobicContact CE1-CD1 3.82Å; Y2274-L2294 HydrophobicContact CE1-CG 4.31Å; Y2274-L2294 HydrophobicContact CE2-CD1 4.42Å; Y2274-L2294 HydrophobicContact CG-CD1 3.64Å; Y2274-L2294 PolarHBondContact OH-N 2.91Å; Y2274-W2297 HydrophobicContact CD2-CB 4.35Å; Y2274-W2297 AromaticContact CD2-CD2 3.52Å; Y2274-W2297 HydrophobicContact CD2-CD2 3.52Å; Y2274-W2297 VanDerWaalsContact CD2-CD2 3.47Å; Y2274-W2297 AromaticContact CD2-CE3 3.42Å; Y2274-W2297 HydrophobicContact CD2-CE3 3.42Å; Y2274-W2297 VanDerWaalsContact CD2-CE3 3.48Å; Y2274-W2297 AromaticContact CD2-CG 3.89Å; Y2274-W2297 HydrophobicContact CD2-CG 3.92Å; Y2274-W2297 HydrophobicContact CD2-CH2 4.42Å; Y2274-W2297 HydrophobicContact CD2-CZ2 4.48Å; Y2274-W2297 AromaticContact CD2-CZ3 3.89Å; Y2274-W2297 HydrophobicContact CD2-CZ3 3.92Å; Y2274-W2297 HydrophobicContact CE2-CB 3.76Å; Y2274-W2297 AromaticContact CE2-CD2 3.85Å; Y2274-W2297 HydrophobicContact CE2-CD2 3.85Å; Y2274-W2297 AromaticContact CE2-CE3 3.88Å; Y2274-W2297 HydrophobicContact CE2-CE3 4.04Å; Y2274-W2297 AromaticContact CE2-CG 3.72Å; Y2274-W2297 HydrophobicContact CE2-CG 3.72Å; Y2274-W2297 HydrophobicContact CG-CD2 4.46Å; Y2274-W2297 HydrophobicContact CG-CE3 4.06Å; Y2274-W2297 HydrophobicContact CG-CZ3 4.26Å |
| 2275 | L | 71.5 | Confident | 66.6 | Low | 56.8 Ų | 56.8 | 67.6 Ų | 67.6 | 30% | 0.297 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -65.6 | -36.7 | 179.7 | -71 | 171.4 | 0 | 0 | 0 | 112.1 | V2271 Q2272 Y2273 D2277 V2278 V2279 I2286 L2294 F2740 | V2271-L2275 HydrophobicContact CG1-CD1 3.98Å; V2271-L2275 HydrophobicContact CG1-CG 4.42Å; V2271-L2275 WeakPolarHBondContact O-CB 3.05Å; V2271-L2275 WeakPolarHBondContact O-CD1 3.41Å; V2271-L2275 VanDerWaalsContact O-CG 3.27Å; V2271-L2275 WeakPolarHBondContact O-CG 3.36Å; V2271-L2275 PolarHBondContact O-N 3.18Å; Q2272-L2275 PolarHBondContact O-N 3.07Å; Y2273-L2275 VanDerWaalsContact C-N 3.31Å; Y2273-L2275 PolarHBondContact O-N 3.18Å; L2275-D2277 VanDerWaalsContact C-N 3.34Å; L2275-D2277 PolarHBondContact O-N 2.91Å; L2275-V2278 PolarHBondContact O-N 3.22Å; L2275-V2279 WeakPolarHBondContact O-CA 3.43Å; L2275-V2279 WeakPolarHBondContact O-CB 3.38Å; L2275-V2279 VanDerWaalsContact O-CG2 3.29Å; L2275-V2279 WeakPolarHBondContact O-CG2 3.33Å; L2275-V2279 PolarHBondContact O-N 3.19Å; L2275-I2286 HydrophobicContact CD2-CD1 4.36Å; L2275-I2286 HydrophobicContact CD2-CG1 4.44Å; L2275-L2294 HydrophobicContact CD2-CD2 4.43Å; L2275-F2740 HydrophobicContact CD1-CE1 3.78Å; L2275-F2740 VanDerWaalsContact CD1-CE1 3.4Å; L2275-F2740 HydrophobicContact CD1-CE2 4.09Å; L2275-F2740 HydrophobicContact CD1-CZ 3.42Å; L2275-F2740 HydrophobicContact CD2-CE1 4.4Å; L2275-F2740 HydrophobicContact CD2-CZ 4.4Å; L2275-F2740 HydrophobicContact CG-CE1 4.49Å; L2275-F2740 HydrophobicContact CG-CZ 4.42Å |
| 2276 | R | 69.9 | Low | 64.6 | Low | 116 Ų | 116 | 70.3 Ų | 70.3 | 44% | 0.438 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -65.1 | -39.1 | 176.6 | -169.3 | -178.8 | 138.3 | -169.2 | -5.3 | 112 | P2232 Q2272 Y2273 Y2274 V2278 V2279 G2280 | P2232-R2276 PolarHBondContact O-NH2 2.97Å; Q2272-R2276 WeakPolarHBondContact O-CB 3.29Å; Q2272-R2276 PolarHBondContact O-N 3.15Å; Q2272-R2276 VanDerWaalsContact O-N 3.13Å; Y2273-R2276 WeakPolarHBondContact O-CB 3.29Å; Y2273-R2276 PolarHBondContact O-N 3.37Å; Y2273-R2276 VanDerWaalsContact O-N 3.15Å; Y2274-R2276 VanDerWaalsContact C-N 3.29Å; Y2274-R2276 PolarHBondContact O-N 3.27Å; R2276-V2278 VanDerWaalsContact C-N 3.33Å; R2276-V2279 PolarHBondContact O-N 2.55Å; R2276-G2280 WeakPolarHBondContact O-CA 3.39Å; R2276-G2280 PolarHBondContact O-N 3.03Å |
| 2277 | D | 66.4 | Low | 62.5 | Low | 64.2 Ų | 64.2 | 76.1 Ų | 76.1 | 34% | 0.343 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -69.1 | -39.2 | 178.9 | -82 | -4.4 | 0 | 0 | 0 | 111.6 | R2234 Y2273 Y2274 L2275 V2279 G2280 | R2234-D2277 WeakPolarHBondContact CD-OD2 3.41Å; R2234-D2277 PolarHBondContact N-OD2 3.22Å; R2234-D2277 VanDerWaalsContact N-OD2 3.09Å; R2234-D2277 IonicContact NE-OD2 3.51Å; Y2273-D2277 WeakPolarHBondContact O-CB 3.29Å; Y2273-D2277 PolarHBondContact O-N 3.13Å; Y2274-D2277 PolarHBondContact O-N 3.13Å; L2275-D2277 VanDerWaalsContact C-N 3.34Å; L2275-D2277 PolarHBondContact O-N 2.91Å; D2277-V2279 VanDerWaalsContact C-N 3.25Å; D2277-V2279 PolarHBondContact O-N 3.45Å; D2277-G2280 PolarHBondContact O-N 3.18Å |
| 2278 | V | 63.2 | Low | 60.8 | Low | 53.2 Ų | 53.2 | 81 Ų | 81 | 32% | 0.322 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -76.2 | -41.6 | 177.5 | -179.6 | 0 | 0 | 0 | 0 | 112.3 | R2234 Y2274 L2275 R2276 G2280 D2281 M2290 | R2234-V2278 VanDerWaalsContact NH2-N 3.11Å; Y2274-V2278 HydrophobicContact CD1-CG2 4.11Å; Y2274-V2278 HydrophobicContact CE1-CG2 3.7Å; Y2274-V2278 VanDerWaalsContact CE1-CG2 3.47Å; Y2274-V2278 HydrophobicContact CE2-CG2 4.47Å; Y2274-V2278 WeakPolarHBondContact O-CG2 3.24Å; Y2274-V2278 PolarHBondContact O-N 3.17Å; Y2274-V2278 VanDerWaalsContact O-N 3.08Å; L2275-V2278 PolarHBondContact O-N 3.22Å; R2276-V2278 VanDerWaalsContact C-N 3.33Å; V2278-G2280 VanDerWaalsContact C-N 3.3Å; V2278-G2280 PolarHBondContact O-N 2.92Å; V2278-D2281 PolarHBondContact O-N 3.17Å; V2278-M2290 HydrophobicContact CB-CE 3.74Å; V2278-M2290 HydrophobicContact CG1-CE 3.21Å; V2278-M2290 HydrophobicContact CG1-CG 4.4Å; V2278-M2290 HydrophobicContact CG1-SD 3.72Å; V2278-M2290 HydrophobicContact CG2-CE 4.24Å |
| 2279 | V | 57.6 | Low | 59.3 | Low | 75.8 Ų | 75.8 | 81.8 Ų | 81.8 | 46% | 0.459 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -82.5 | -4.8 | -176.6 | -178.2 | 0 | 0 | 0 | 0 | 110.8 | L2275 R2276 D2277 D2281 Y2282 M2290 | L2275-V2279 WeakPolarHBondContact O-CA 3.43Å; L2275-V2279 WeakPolarHBondContact O-CB 3.38Å; L2275-V2279 VanDerWaalsContact O-CG2 3.29Å; L2275-V2279 WeakPolarHBondContact O-CG2 3.33Å; L2275-V2279 PolarHBondContact O-N 3.19Å; R2276-V2279 PolarHBondContact O-N 2.55Å; D2277-V2279 VanDerWaalsContact C-N 3.25Å; D2277-V2279 PolarHBondContact O-N 3.45Å; V2279-D2281 VanDerWaalsContact C-N 3.31Å; V2279-D2281 WeakPolarHBondContact CG1-O 3.34Å; V2279-D2281 CarbonylContact O-C 3.49Å; V2279-D2281 PolarHBondContact O-N 2.97Å; V2279-Y2282 HydrophobicContact CG1-CD2 4.47Å; V2279-Y2282 HydrophobicContact CG1-CE2 3.82Å; V2279-Y2282 WeakPolarHBondContact O-CD2 3.25Å; V2279-Y2282 WeakPolarHBondContact O-CE2 3.37Å; V2279-M2290 HydrophobicContact CG2-CE 3.6Å; V2279-M2290 HydrophobicContact CG2-SD 4.01Å |
| 2280 | G | 53.1 | Low | 57.7 | Low | 57.8 Ų | 57.8 | 86.8 Ų | 86.8 | 60% | 0.596 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -64.6 | -24 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | R2276 D2277 V2278 Y2282 | R2276-G2280 WeakPolarHBondContact O-CA 3.39Å; R2276-G2280 PolarHBondContact O-N 3.03Å; D2277-G2280 PolarHBondContact O-N 3.18Å; V2278-G2280 VanDerWaalsContact C-N 3.3Å; V2278-G2280 PolarHBondContact O-N 2.92Å; G2280-Y2282 VanDerWaalsContact C-N 3.35Å; G2280-Y2282 PolarHBondContact O-N 3.04Å |
| 2281 | D | 44.5 | Very low | 56.3 | Low | 121.4 Ų | 121.4 | 92.1 Ų | 92.1 | 65% | 0.649 | 50% | 0.498 | S | S | * | . | S | Bend | trans | -100.8 | 58 | -176.1 | -79.4 | -26.5 | 0 | 0 | 0 | 113.4 | V2278 V2279 S2283 R2284 | V2278-D2281 PolarHBondContact O-N 3.17Å; V2279-D2281 VanDerWaalsContact C-N 3.31Å; V2279-D2281 WeakPolarHBondContact CG1-O 3.34Å; V2279-D2281 CarbonylContact O-C 3.49Å; V2279-D2281 PolarHBondContact O-N 2.97Å; D2281-S2283 PolarHBondContact O-N 3.46Å; D2281-R2284 PolarHBondContact O-N 3.15Å; D2281-R2284 VanDerWaalsContact O-N 3.13Å |
| 2282 | Y | 40.5 | Very low | 55.1 | Low | 201.2 Ų | 201.2 | 96.5 Ų | 96.5 | 79% | 0.789 | 52% | 0.517 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -42.4 | 37 | 175.3 | -79.5 | -80.1 | 0 | 0 | 0 | 115.9 | V2279 G2280 R2284 | V2279-Y2282 HydrophobicContact CG1-CD2 4.47Å; V2279-Y2282 HydrophobicContact CG1-CE2 3.82Å; V2279-Y2282 WeakPolarHBondContact O-CD2 3.25Å; V2279-Y2282 WeakPolarHBondContact O-CE2 3.37Å; G2280-Y2282 VanDerWaalsContact C-N 3.35Å; G2280-Y2282 PolarHBondContact O-N 3.04Å; Y2282-R2284 VanDerWaalsContact C-N 3.31Å; Y2282-R2284 PolarHBondContact O-N 3.39Å |
| 2283 | S | 42.6 | Very low | 54.8 | Low | 116.2 Ų | 116.2 | 94.3 Ų | 94.3 | 81% | 0.813 | 51% | 0.511 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.2 | 7.3 | 164 | 62.3 | 0 | 0 | 0 | 0 | 117 | D2281 | D2281-S2283 PolarHBondContact O-N 3.46Š|
| 2284 | R | 39.1 | Very low | 54.8 | Low | 207.4 Ų | 207.4 | 94.7 Ų | 94.7 | 78% | 0.783 | 51% | 0.514 | S | S | * | . | S | Bend | trans | -100.9 | 127.2 | 170.5 | -114.7 | 178.7 | -173.1 | 172.5 | 1.6 | 110.4 | D2281 Y2282 I2286 D2287 | D2281-R2284 PolarHBondContact O-N 3.15Å; D2281-R2284 VanDerWaalsContact O-N 3.13Å; Y2282-R2284 VanDerWaalsContact C-N 3.31Å; Y2282-R2284 PolarHBondContact O-N 3.39Å; R2284-I2286 WeakPolarHBondContact O-CG1 3.48Å; R2284-I2286 PolarHBondContact O-N 3.19Å; R2284-D2287 IonicContact CZ-OD2 3.81Å; R2284-D2287 IonicContact NE-OD2 2.94Å; R2284-D2287 IonicContact NH1-OD2 2.76Å |
| 2285 | A | 41.7 | Very low | 54.6 | Low | 91.2 Ų | 91.2 | 95.1 Ų | 95.1 | 75% | 0.754 | 52% | 0.519 | S | S | * | . | trans | -56.8 | 127.8 | 171.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | D2287 | A2285-D2287 VanDerWaalsContact C-N 3.33Å; A2285-D2287 PolarHBondContact O-N 3.11Å; A2285-D2287 VanDerWaalsContact O-N 3.13Å | ||
| 2286 | I | 41 | Very low | 54.9 | Low | 103.6 Ų | 103.6 | 95.3 Ų | 95.3 | 53% | 0.531 | 52% | 0.52 | S | S | . | . | trans | -51.9 | 100.5 | 176 | -56.9 | 167.1 | 0 | 0 | 0 | 109.3 | L2275 R2284 S2288 M2290 E2291 F2740 | L2275-I2286 HydrophobicContact CD2-CD1 4.36Å; L2275-I2286 HydrophobicContact CD2-CG1 4.44Å; R2284-I2286 WeakPolarHBondContact O-CG1 3.48Å; R2284-I2286 PolarHBondContact O-N 3.19Å; I2286-S2288 PolarHBondContact O-N 2.93Å; I2286-S2288 VanDerWaalsContact O-N 3.16Å; I2286-M2290 HydrophobicContact CG2-CB 3.97Å; I2286-E2291 HydrophobicContact CB-CG 4.38Å; I2286-E2291 HydrophobicContact CG2-CB 4.46Å; I2286-E2291 HydrophobicContact CG2-CG 3.62Å; I2286-F2740 HydrophobicContact CD1-CD1 4.1Å; I2286-F2740 HydrophobicContact CD1-CE1 3.74Å; I2286-F2740 VanDerWaalsContact CD1-CE1 3.41Å; I2286-F2740 HydrophobicContact CD1-CZ 4.04Å | ||
| 2287 | D | 42.3 | Very low | 55.5 | Low | 120.4 Ų | 120.4 | 90.5 Ų | 90.5 | 64% | 0.644 | 50% | 0.502 | S | S | * | . | trans | -77 | 115.3 | 161.8 | -83 | -31 | 0 | 0 | 0 | 107.9 | R2284 A2285 S2289 M2290 E2291 | R2284-D2287 IonicContact CZ-OD2 3.81Å; R2284-D2287 IonicContact NE-OD2 2.94Å; R2284-D2287 IonicContact NH1-OD2 2.76Å; A2285-D2287 VanDerWaalsContact C-N 3.33Å; A2285-D2287 PolarHBondContact O-N 3.11Å; A2285-D2287 VanDerWaalsContact O-N 3.13Å; D2287-S2289 VanDerWaalsContact C-N 3.27Å; D2287-S2289 PolarHBondContact O-N 3.24Å; D2287-S2289 VanDerWaalsContact O-N 3.12Å; D2287-M2290 WeakPolarHBondContact O-CA 3.19Å; D2287-M2290 VanDerWaalsContact O-CB 3.29Å; D2287-M2290 WeakPolarHBondContact O-CB 3.39Å; D2287-M2290 PolarHBondContact O-N 3.24Å; D2287-E2291 PolarHBondContact O-N 3.01Å | ||
| 2288 | S | 46.4 | Very low | 56.3 | Low | 105.4 Ų | 105.4 | 87.6 Ų | 87.6 | 74% | 0.737 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -63.4 | 2.9 | -173.3 | 57.8 | 0 | 0 | 0 | 0 | 114.6 | I2286 M2290 E2291 H2292 | I2286-S2288 PolarHBondContact O-N 2.93Å; I2286-S2288 VanDerWaalsContact O-N 3.16Å; S2288-M2290 VanDerWaalsContact C-N 3.29Å; S2288-M2290 PolarHBondContact O-N 3.42Å; S2288-E2291 PolarHBondContact O-N 3.27Å; S2288-H2292 PolarHBondContact O-CD2 3.19Å; S2288-H2292 PolarHBondContact O-N 3.19Å |
| 2289 | S | 49.2 | Very low | 57.3 | Low | 85.2 Ų | 85.2 | 88 Ų | 88 | 60% | 0.596 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -96.1 | -12.3 | -177.5 | 62.2 | 0 | 0 | 0 | 0 | 114.5 | D2287 H2292 S2293 | D2287-S2289 VanDerWaalsContact C-N 3.27Å; D2287-S2289 PolarHBondContact O-N 3.24Å; D2287-S2289 VanDerWaalsContact O-N 3.12Å; S2289-H2292 PolarHBondContact O-N 3.28Å; S2289-S2293 PolarHBondContact O-N 3.08Å; S2289-S2293 VanDerWaalsContact O-N 3.09Å |
| 2290 | M | 47.3 | Very low | 58.4 | Low | 106.8 Ų | 106.8 | 89 Ų | 89 | 53% | 0.526 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -99.5 | -5.6 | 179.8 | -72.9 | -77.6 | 144.6 | 0 | 0 | 115 | Y2274 V2278 V2279 I2286 D2287 S2288 H2292 S2293 L2294 | Y2274-M2290 HydrophobicContact CE1-CE 4.3Å; V2278-M2290 HydrophobicContact CB-CE 3.74Å; V2278-M2290 HydrophobicContact CG1-CE 3.21Å; V2278-M2290 HydrophobicContact CG1-CG 4.4Å; V2278-M2290 HydrophobicContact CG1-SD 3.72Å; V2278-M2290 HydrophobicContact CG2-CE 4.24Å; V2279-M2290 HydrophobicContact CG2-CE 3.6Å; V2279-M2290 HydrophobicContact CG2-SD 4.01Å; I2286-M2290 HydrophobicContact CG2-CB 3.97Å; D2287-M2290 WeakPolarHBondContact O-CA 3.19Å; D2287-M2290 VanDerWaalsContact O-CB 3.29Å; D2287-M2290 WeakPolarHBondContact O-CB 3.39Å; D2287-M2290 PolarHBondContact O-N 3.24Å; S2288-M2290 VanDerWaalsContact C-N 3.29Å; S2288-M2290 PolarHBondContact O-N 3.42Å; M2290-H2292 VanDerWaalsContact C-N 3.3Å; M2290-H2292 PolarHBondContact O-N 2.93Å; M2290-H2292 VanDerWaalsContact O-N 3.16Å; M2290-S2293 WeakPolarHBondContact CA-OG 3.29Å; M2290-S2293 WeakPolarHBondContact CE-OG 3.31Å; M2290-S2293 PolarHBondContact O-N 3.26Å; M2290-S2293 PolarHBondContact O-OG 3.16Å; M2290-L2294 WeakPolarHBondContact O-CB 3.31Å; M2290-L2294 PolarHBondContact O-N 2.92Å |
| 2291 | E | 51.5 | Low | 59.8 | Low | 111.6 Ų | 111.6 | 86.3 Ų | 86.3 | 52% | 0.521 | 46% | 0.457 | S | S | . | . | trans | -70.3 | 60.4 | 169.2 | -70.9 | -166.2 | 159.2 | 0 | 0 | 110.8 | I2286 D2287 S2288 S2293 L2294 T2295 K2574 | I2286-E2291 HydrophobicContact CB-CG 4.38Å; I2286-E2291 HydrophobicContact CG2-CB 4.46Å; I2286-E2291 HydrophobicContact CG2-CG 3.62Å; D2287-E2291 PolarHBondContact O-N 3.01Å; S2288-E2291 PolarHBondContact O-N 3.27Å; E2291-S2293 PolarHBondContact O-N 2.97Å; E2291-L2294 PolarHBondContact O-N 2.83Å; E2291-T2295 WeakPolarHBondContact O-CB 3.33Å; E2291-T2295 WeakPolarHBondContact O-CG2 3.47Å; E2291-T2295 PolarHBondContact O-N 3.25Å; E2291-T2295 PolarHBondContact O-OG1 3.43Å; E2291-K2574 IonicContact OE2-NZ 2.65Å | ||
| 2292 | H | 57.3 | Low | 61.8 | Low | 108 Ų | 108 | 80.5 Ų | 80.5 | 50% | 0.5 | 43% | 0.426 | S | S | . | . | trans | -55.4 | 100.9 | 167.4 | -68.6 | -67.1 | 0 | 0 | 0 | 109.8 | Y2274 S2288 S2289 M2290 L2294 T2295 D2296 K2574 | Y2274-H2292 PolarHBondContact OH-O 3.16Å; S2288-H2292 PolarHBondContact O-CD2 3.19Å; S2288-H2292 PolarHBondContact O-N 3.19Å; S2289-H2292 PolarHBondContact O-N 3.28Å; M2290-H2292 VanDerWaalsContact C-N 3.3Å; M2290-H2292 PolarHBondContact O-N 2.93Å; M2290-H2292 VanDerWaalsContact O-N 3.16Å; H2292-L2294 VanDerWaalsContact C-N 3.3Å; H2292-L2294 PolarHBondContact O-N 3.22Å; H2292-T2295 WeakPolarHBondContact CA-OG1 3.4Å; H2292-T2295 PolarHBondContact O-N 3.04Å; H2292-T2295 VanDerWaalsContact O-N 3.13Å; H2292-T2295 PolarHBondContact O-OG1 2.94Å; H2292-D2296 HydrophobicContact CB-CB 4.29Å; H2292-D2296 VanDerWaalsContact O-CB 3.29Å; H2292-D2296 WeakPolarHBondContact O-CB 3.4Å; H2292-D2296 PolarHBondContact O-N 3.16Å; H2292-K2574 VanDerWaalsContact CE1-CB 3.47Å; H2292-K2574 WeakPolarHBondContact CE1-CB 3.47Å; H2292-K2574 PolarHBondContact CE1-O 3.26Å | ||
| 2293 | S | 71.9 | Confident | 63.6 | Low | 43.6 Ų | 43.6 | 71.4 Ų | 71.4 | 31% | 0.305 | 39% | 0.392 | S | S | . | . | trans | -59.2 | 164.3 | 178.7 | 70.4 | 0 | 0 | 0 | 0 | 111.2 | Y2274 S2289 M2290 E2291 T2295 D2296 W2297 K2574 | Y2274-S2293 WeakPolarHBondContact OH-CB 3.47Å; Y2274-S2293 PolarHBondContact OH-O 3.38Å; Y2274-S2293 PolarHBondContact OH-OG 3.42Å; S2289-S2293 PolarHBondContact O-N 3.08Å; S2289-S2293 VanDerWaalsContact O-N 3.09Å; M2290-S2293 WeakPolarHBondContact CA-OG 3.29Å; M2290-S2293 WeakPolarHBondContact CE-OG 3.31Å; M2290-S2293 PolarHBondContact O-N 3.26Å; M2290-S2293 PolarHBondContact O-OG 3.16Å; E2291-S2293 PolarHBondContact O-N 2.97Å; S2293-T2295 CarbonylContact O-C 3.58Å; S2293-T2295 PolarHBondContact O-N 3.13Å; S2293-T2295 VanDerWaalsContact O-N 3.08Å; S2293-T2295 PolarHBondContact OG-OG1 3.07Å; S2293-D2296 VanDerWaalsContact CB-OD2 3.3Å; S2293-D2296 WeakPolarHBondContact CB-OD2 3.11Å; S2293-D2296 PolarHBondContact N-OD2 2.89Å; S2293-D2296 VanDerWaalsContact N-OD2 3.12Å; S2293-D2296 WeakPolarHBondContact O-CA 3.41Å; S2293-D2296 WeakPolarHBondContact O-CB 3.4Å; S2293-D2296 PolarHBondContact O-N 3.26Å; S2293-D2296 PolarHBondContact OG-N 3.01Å; S2293-D2296 PolarHBondContact OG-OD1 3.16Å; S2293-D2296 PolarHBondContact OG-OD2 3.14Å; S2293-W2297 VanDerWaalsContact O-CB 3.3Å; S2293-W2297 WeakPolarHBondContact O-CB 3.39Å; S2293-W2297 PolarHBondContact O-N 3.19Å; S2293-W2297 VanDerWaalsContact O-N 3.16Å; S2293-K2574 PolarHBondContact OG-NZ 3.05Å | ||
| 2294 | L | 76.2 | Confident | 65.4 | Low | 25.8 Ų | 25.8 | 66.8 Ų | 66.8 | 14% | 0.135 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -54.5 | -40.7 | 175.8 | 170.5 | 64.7 | 0 | 0 | 0 | 111.6 | V2271 Y2274 L2275 M2290 E2291 H2292 D2296 W2297 L2298 F2740 | V2271-L2294 HydrophobicContact CG1-CD2 4.45Å; Y2274-L2294 HydrophobicContact CD1-CB 4.26Å; Y2274-L2294 HydrophobicContact CD1-CD1 3.44Å; Y2274-L2294 VanDerWaalsContact CD1-CD1 3.42Å; Y2274-L2294 HydrophobicContact CD1-CG 4.34Å; Y2274-L2294 HydrophobicContact CD2-CD1 4.19Å; Y2274-L2294 HydrophobicContact CE1-CB 3.77Å; Y2274-L2294 HydrophobicContact CE1-CD1 3.82Å; Y2274-L2294 HydrophobicContact CE1-CG 4.31Å; Y2274-L2294 HydrophobicContact CE2-CD1 4.42Å; Y2274-L2294 HydrophobicContact CG-CD1 3.64Å; Y2274-L2294 PolarHBondContact OH-N 2.91Å; L2275-L2294 HydrophobicContact CD2-CD2 4.43Å; M2290-L2294 WeakPolarHBondContact O-CB 3.31Å; M2290-L2294 PolarHBondContact O-N 2.92Å; E2291-L2294 PolarHBondContact O-N 2.83Å; H2292-L2294 VanDerWaalsContact C-N 3.3Å; H2292-L2294 PolarHBondContact O-N 3.22Å; L2294-D2296 VanDerWaalsContact C-N 3.27Å; L2294-D2296 PolarHBondContact O-N 3.37Å; L2294-W2297 HydrophobicContact CD1-CE3 4.24Å; L2294-W2297 PolarHBondContact O-N 3.14Å; L2294-L2298 HydrophobicContact CD1-CD1 4.02Å; L2294-L2298 HydrophobicContact CD1-CD2 4.47Å; L2294-L2298 HydrophobicContact CD1-CG 4.02Å; L2294-L2298 HydrophobicContact CG-CD1 4Å; L2294-L2298 HydrophobicContact CG-CG 4.36Å; L2294-L2298 WeakPolarHBondContact O-CB 3.37Å; L2294-L2298 VanDerWaalsContact O-CG 3.28Å; L2294-L2298 WeakPolarHBondContact O-CG 3.28Å; L2294-L2298 PolarHBondContact O-N 3.06Å; L2294-F2740 HydrophobicContact CD2-CD1 4.33Å; L2294-F2740 HydrophobicContact CD2-CE1 3.54Å; L2294-F2740 HydrophobicContact CD2-CZ 3.85Å |
| 2295 | T | 74.4 | Confident | 67 | Low | 24.8 Ų | 24.8 | 61.6 Ų | 61.6 | 15% | 0.152 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -62.3 | -41.5 | 176.5 | 20.6 | 0 | 0 | 0 | 0 | 112.9 | E2291 H2292 S2293 W2297 L2298 R2299 K2500 K2574 | E2291-T2295 WeakPolarHBondContact O-CB 3.33Å; E2291-T2295 WeakPolarHBondContact O-CG2 3.47Å; E2291-T2295 PolarHBondContact O-N 3.25Å; E2291-T2295 PolarHBondContact O-OG1 3.43Å; H2292-T2295 WeakPolarHBondContact CA-OG1 3.4Å; H2292-T2295 PolarHBondContact O-N 3.04Å; H2292-T2295 VanDerWaalsContact O-N 3.13Å; H2292-T2295 PolarHBondContact O-OG1 2.94Å; S2293-T2295 CarbonylContact O-C 3.58Å; S2293-T2295 PolarHBondContact O-N 3.13Å; S2293-T2295 VanDerWaalsContact O-N 3.08Å; S2293-T2295 PolarHBondContact OG-OG1 3.07Å; T2295-W2297 VanDerWaalsContact C-N 3.34Å; T2295-W2297 PolarHBondContact O-N 2.94Å; T2295-L2298 PolarHBondContact O-N 3.05Å; T2295-R2299 WeakPolarHBondContact O-CB 3.33Å; T2295-R2299 WeakPolarHBondContact O-CD 3.23Å; T2295-R2299 VanDerWaalsContact O-CG 3.26Å; T2295-R2299 WeakPolarHBondContact O-CG 3.39Å; T2295-R2299 PolarHBondContact O-N 3.03Å; T2295-R2299 VanDerWaalsContact O-N 3.09Å; T2295-K2500 HydrophobicContact CG2-CB 4.41Å; T2295-K2500 HydrophobicContact CG2-CD 3.52Å; T2295-K2500 VanDerWaalsContact CG2-CD 3.48Å; T2295-K2500 WeakPolarHBondContact CG2-O 3.43Å; T2295-K2574 PolarHBondContact OG1-NZ 3.49Å; T2295-K2574 VanDerWaalsContact OG1-NZ 3.08Å |
| 2296 | D | 77.5 | Confident | 68.7 | Low | 62.6 Ų | 62.6 | 61.4 Ų | 61.4 | 34% | 0.335 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -67.2 | -41.3 | 178.2 | -61.2 | -26.4 | 0 | 0 | 0 | 111.2 | H2292 S2293 L2294 R2299 L2300 K2574 | H2292-D2296 HydrophobicContact CB-CB 4.29Å; H2292-D2296 VanDerWaalsContact O-CB 3.29Å; H2292-D2296 WeakPolarHBondContact O-CB 3.4Å; H2292-D2296 PolarHBondContact O-N 3.16Å; S2293-D2296 VanDerWaalsContact CB-OD2 3.3Å; S2293-D2296 WeakPolarHBondContact CB-OD2 3.11Å; S2293-D2296 PolarHBondContact N-OD2 2.89Å; S2293-D2296 VanDerWaalsContact N-OD2 3.12Å; S2293-D2296 WeakPolarHBondContact O-CA 3.41Å; S2293-D2296 WeakPolarHBondContact O-CB 3.4Å; S2293-D2296 PolarHBondContact O-N 3.26Å; S2293-D2296 PolarHBondContact OG-N 3.01Å; S2293-D2296 PolarHBondContact OG-OD1 3.16Å; S2293-D2296 PolarHBondContact OG-OD2 3.14Å; L2294-D2296 VanDerWaalsContact C-N 3.27Å; L2294-D2296 PolarHBondContact O-N 3.37Å; D2296-R2299 PolarHBondContact O-N 3.03Å; D2296-L2300 WeakPolarHBondContact O-CB 3.17Å; D2296-L2300 PolarHBondContact O-N 3.35Å; D2296-K2574 VanDerWaalsContact CG-CE 3.42Å; D2296-K2574 WeakPolarHBondContact OD1-CE 3.46Å; D2296-K2574 IonicContact OD1-NZ 2.93Å; D2296-K2574 PolarHBondContact OD1-NZ 3.19Å; D2296-K2574 VanDerWaalsContact OD2-CE 3.27Å; D2296-K2574 WeakPolarHBondContact OD2-CE 3.05Å; D2296-K2574 IonicContact OD2-NZ 3.69Å; D2296-K2574 PolarHBondContact OD2-NZ 3.18Å |
| 2297 | W | 82.3 | Confident | 70.5 | Confident | 15.2 Ų | 15.2 | 57.1 Ų | 57.1 | 6% | 0.058 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -63.6 | -48.9 | 174.5 | -179.9 | 73.5 | 0 | 0 | 0 | 111.9 | R2234 F2237 E2238 A2270 Y2274 S2293 L2294 T2295 R2299 L2300 V2301 | R2234-W2297 HydrophobicContact CB-CH2 4.46Å; R2234-W2297 HydrophobicContact CB-CZ2 3.84Å; R2234-W2297 HydrophobicContact CG-CD2 4.24Å; R2234-W2297 VanDerWaalsContact CG-CE2 3.44Å; R2234-W2297 HydrophobicContact CG-CH2 4.42Å; R2234-W2297 HydrophobicContact CG-CZ2 3.84Å; R2234-W2297 VanDerWaalsContact NE-NE1 3.2Å; R2234-W2297 WeakPolarHBondContact O-CZ2 3.5Å; F2237-W2297 HydrophobicContact CB-CH2 4.45Å; F2237-W2297 HydrophobicContact CB-CZ2 4.38Å; E2238-W2297 PolarHBondContact OE1-NE1 3.37Å; A2270-W2297 HydrophobicContact CB-CH2 4.01Å; A2270-W2297 HydrophobicContact CB-CZ3 4.31Å; Y2274-W2297 HydrophobicContact CD2-CB 4.35Å; Y2274-W2297 AromaticContact CD2-CD2 3.52Å; Y2274-W2297 HydrophobicContact CD2-CD2 3.52Å; Y2274-W2297 VanDerWaalsContact CD2-CD2 3.47Å; Y2274-W2297 AromaticContact CD2-CE3 3.42Å; Y2274-W2297 HydrophobicContact CD2-CE3 3.42Å; Y2274-W2297 VanDerWaalsContact CD2-CE3 3.48Å; Y2274-W2297 AromaticContact CD2-CG 3.89Å; Y2274-W2297 HydrophobicContact CD2-CG 3.92Å; Y2274-W2297 HydrophobicContact CD2-CH2 4.42Å; Y2274-W2297 HydrophobicContact CD2-CZ2 4.48Å; Y2274-W2297 AromaticContact CD2-CZ3 3.89Å; Y2274-W2297 HydrophobicContact CD2-CZ3 3.92Å; Y2274-W2297 HydrophobicContact CE2-CB 3.76Å; Y2274-W2297 AromaticContact CE2-CD2 3.85Å; Y2274-W2297 HydrophobicContact CE2-CD2 3.85Å; Y2274-W2297 AromaticContact CE2-CE3 3.88Å; Y2274-W2297 HydrophobicContact CE2-CE3 4.04Å; Y2274-W2297 AromaticContact CE2-CG 3.72Å; Y2274-W2297 HydrophobicContact CE2-CG 3.72Å; Y2274-W2297 HydrophobicContact CG-CD2 4.46Å; Y2274-W2297 HydrophobicContact CG-CE3 4.06Å; Y2274-W2297 HydrophobicContact CG-CZ3 4.26Å; S2293-W2297 VanDerWaalsContact O-CB 3.3Å; S2293-W2297 WeakPolarHBondContact O-CB 3.39Å; S2293-W2297 PolarHBondContact O-N 3.19Å; S2293-W2297 VanDerWaalsContact O-N 3.16Å; L2294-W2297 HydrophobicContact CD1-CE3 4.24Å; L2294-W2297 PolarHBondContact O-N 3.14Å; T2295-W2297 VanDerWaalsContact C-N 3.34Å; T2295-W2297 PolarHBondContact O-N 2.94Å; W2297-R2299 VanDerWaalsContact C-N 3.27Å; W2297-R2299 PolarHBondContact O-N 2.95Å; W2297-L2300 WeakPolarHBondContact O-CB 3.42Å; W2297-L2300 PolarHBondContact O-N 3.1Å; W2297-L2300 VanDerWaalsContact O-N 3.11Å; W2297-V2301 HydrophobicContact CD2-CG2 4.2Å; W2297-V2301 VanDerWaalsContact CE2-CG2 3.48Å; W2297-V2301 HydrophobicContact CG-CG2 4.43Å; W2297-V2301 HydrophobicContact CZ2-CG2 4.01Å; W2297-V2301 WeakPolarHBondContact O-CG2 3.27Å; W2297-V2301 PolarHBondContact O-N 3.15Å |
| 2298 | L | 84 | Confident | 72.3 | Confident | 2.8 Ų | 2.8 | 51.9 Ų | 51.9 | 2% | 0.015 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -57.9 | -39.6 | 177.9 | -74.1 | 173.1 | 0 | 0 | 0 | 112.1 | V2271 L2294 T2295 V2301 F2302 F2496 K2500 L2501 | V2271-L2298 HydrophobicContact CG2-CD1 4.12Å; V2271-L2298 HydrophobicContact CG2-CD2 3.9Å; L2294-L2298 HydrophobicContact CD1-CD1 4.02Å; L2294-L2298 HydrophobicContact CD1-CD2 4.47Å; L2294-L2298 HydrophobicContact CD1-CG 4.02Å; L2294-L2298 HydrophobicContact CG-CD1 4Å; L2294-L2298 HydrophobicContact CG-CG 4.36Å; L2294-L2298 WeakPolarHBondContact O-CB 3.37Å; L2294-L2298 VanDerWaalsContact O-CG 3.28Å; L2294-L2298 WeakPolarHBondContact O-CG 3.28Å; L2294-L2298 PolarHBondContact O-N 3.06Å; T2295-L2298 PolarHBondContact O-N 3.05Å; L2298-V2301 PolarHBondContact O-N 3Å; L2298-F2302 HydrophobicContact CD2-CD2 3.75Å; L2298-F2302 HydrophobicContact CD2-CE2 3.78Å; L2298-F2302 WeakPolarHBondContact O-CB 3.32Å; L2298-F2302 PolarHBondContact O-N 3.14Å; L2298-F2496 HydrophobicContact CD1-CE2 4.07Å; L2298-K2500 HydrophobicContact CD1-CB 4.4Å; L2298-L2501 HydrophobicContact CB-CD2 4.21Å |
| 2299 | R | 82.2 | Confident | 74.1 | Confident | 61.4 Ų | 61.4 | 46.9 Ų | 46.9 | 23% | 0.232 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -65.4 | -44.6 | 174.6 | -71.5 | 173.7 | -172.8 | -179.1 | -1 | 111.7 | T2295 D2296 W2297 V2301 A2303 N2304 E2499 K2500 L2501 | T2295-R2299 WeakPolarHBondContact O-CB 3.33Å; T2295-R2299 WeakPolarHBondContact O-CD 3.23Å; T2295-R2299 VanDerWaalsContact O-CG 3.26Å; T2295-R2299 WeakPolarHBondContact O-CG 3.39Å; T2295-R2299 PolarHBondContact O-N 3.03Å; T2295-R2299 VanDerWaalsContact O-N 3.09Å; D2296-R2299 PolarHBondContact O-N 3.03Å; W2297-R2299 VanDerWaalsContact C-N 3.27Å; W2297-R2299 PolarHBondContact O-N 2.95Å; R2299-V2301 VanDerWaalsContact C-N 3.26Å; R2299-V2301 PolarHBondContact O-N 3.19Å; R2299-A2303 HydrophobicContact CB-CB 4.49Å; R2299-A2303 CarbonylContact O-C 3.38Å; R2299-A2303 VanDerWaalsContact O-CA 3.26Å; R2299-A2303 WeakPolarHBondContact O-CA 3.4Å; R2299-A2303 VanDerWaalsContact O-CB 3.29Å; R2299-A2303 WeakPolarHBondContact O-CB 3.39Å; R2299-A2303 PolarHBondContact O-N 3.24Å; R2299-N2304 PolarHBondContact O-N 3.14Å; R2299-E2499 PolarHBondContact NH2-O 3.26Å; R2299-K2500 VanDerWaalsContact CG-O 3.29Å; R2299-K2500 WeakPolarHBondContact CG-O 3.28Å; R2299-K2500 PolarHBondContact NE-O 3.13Å; R2299-L2501 WeakPolarHBondContact CG-O 3.5Å |
| 2300 | L | 82.2 | Confident | 75.8 | Confident | 97.2 Ų | 97.2 | 42.8 Ų | 42.8 | 51% | 0.509 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -61.1 | -33.6 | 178.6 | -173.2 | 116.7 | 0 | 0 | 0 | 112.8 | D2296 W2297 N2304 | D2296-L2300 WeakPolarHBondContact O-CB 3.17Å; D2296-L2300 PolarHBondContact O-N 3.35Å; W2297-L2300 WeakPolarHBondContact O-CB 3.42Å; W2297-L2300 PolarHBondContact O-N 3.1Å; W2297-L2300 VanDerWaalsContact O-N 3.11Å; L2300-N2304 WeakPolarHBondContact O-CB 3.39Å; L2300-N2304 PolarHBondContact O-ND2 3.23Å |
| 2301 | V | 82.1 | Confident | 77.6 | Confident | 0.8 Ų | 0.8 | 37.9 Ų | 37.9 | 1% | 0.005 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -90.5 | -48.5 | -176.7 | -179.2 | 0 | 0 | 0 | 0 | 113 | E2238 M2241 W2297 L2298 R2299 | E2238-V2301 HydrophobicContact CG-CG2 3.51Å; E2238-V2301 VanDerWaalsContact CG-CG2 3.48Å; M2241-V2301 HydrophobicContact CB-CG1 4Å; M2241-V2301 WeakPolarHBondContact CB-O 3.38Å; M2241-V2301 HydrophobicContact CG-CG1 3.83Å; W2297-V2301 HydrophobicContact CD2-CG2 4.2Å; W2297-V2301 VanDerWaalsContact CE2-CG2 3.48Å; W2297-V2301 HydrophobicContact CG-CG2 4.43Å; W2297-V2301 HydrophobicContact CZ2-CG2 4.01Å; W2297-V2301 WeakPolarHBondContact O-CG2 3.27Å; W2297-V2301 PolarHBondContact O-N 3.15Å; L2298-V2301 PolarHBondContact O-N 3Å; R2299-V2301 VanDerWaalsContact C-N 3.26Å; R2299-V2301 PolarHBondContact O-N 3.19Å |
| 2302 | F | 85.5 | Confident | 79 | Confident | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -107.8 | -9.5 | -168.6 | -61.4 | -67 | 0 | 0 | 0 | 114.1 | F2237 M2241 M2263 I2266 Y2267 A2270 L2298 C2309 I2310 L2501 | F2237-F2302 HydrophobicContact CB-CZ 4.35Å; M2241-F2302 HydrophobicContact CE-CD1 4.08Å; M2241-F2302 HydrophobicContact CG-CD1 3.56Å; M2241-F2302 HydrophobicContact CG-CE1 3.41Å; M2241-F2302 VanDerWaalsContact CG-CE1 3.42Å; M2241-F2302 HydrophobicContact CG-CZ 4.41Å; M2241-F2302 HydrophobicContact SD-CD1 3.79Å; M2241-F2302 HydrophobicContact SD-CE1 3.73Å; M2263-F2302 HydrophobicContact CE-CD1 4.21Å; I2266-F2302 HydrophobicContact CG2-CE1 3.86Å; I2266-F2302 HydrophobicContact CG2-CZ 4.17Å; Y2267-F2302 HydrophobicContact CD1-CB 4.3Å; Y2267-F2302 AromaticContact CD1-CD1 3.56Å; Y2267-F2302 HydrophobicContact CD1-CD1 3.56Å; Y2267-F2302 AromaticContact CD1-CD2 3.93Å; Y2267-F2302 HydrophobicContact CD1-CD2 3.98Å; Y2267-F2302 AromaticContact CD1-CE1 3.71Å; Y2267-F2302 HydrophobicContact CD1-CE1 3.71Å; Y2267-F2302 HydrophobicContact CD1-CE2 4.13Å; Y2267-F2302 AromaticContact CD1-CG 3.69Å; Y2267-F2302 HydrophobicContact CD1-CG 3.69Å; Y2267-F2302 AromaticContact CD1-CZ 3.9Å; Y2267-F2302 HydrophobicContact CD1-CZ 4Å; Y2267-F2302 HydrophobicContact CE1-CB 3.78Å; Y2267-F2302 AromaticContact CE1-CD1 3.31Å; Y2267-F2302 HydrophobicContact CE1-CD1 3.31Å; Y2267-F2302 VanDerWaalsContact CE1-CD1 3.42Å; Y2267-F2302 HydrophobicContact CE1-CD2 4.29Å; Y2267-F2302 AromaticContact CE1-CE1 3.82Å; Y2267-F2302 HydrophobicContact CE1-CE1 3.87Å; Y2267-F2302 AromaticContact CE1-CG 3.54Å; Y2267-F2302 HydrophobicContact CE1-CG 3.54Å; Y2267-F2302 VanDerWaalsContact CE1-CG 3.47Å; Y2267-F2302 HydrophobicContact CE1-CZ 4.46Å; A2270-F2302 HydrophobicContact CB-CE2 3.77Å; A2270-F2302 HydrophobicContact CB-CZ 3.59Å; L2298-F2302 HydrophobicContact CD2-CD2 3.75Å; L2298-F2302 HydrophobicContact CD2-CE2 3.78Å; L2298-F2302 WeakPolarHBondContact O-CB 3.32Å; L2298-F2302 PolarHBondContact O-N 3.14Å; F2302-C2309 WeakPolarHBondContact O-CB 3.44Å; F2302-C2309 PolarHBondContact O-SG 3.41Å; F2302-I2310 VanDerWaalsContact O-CD1 3.23Å; F2302-I2310 WeakPolarHBondContact O-CD1 3.41Å; F2302-L2501 HydrophobicContact CB-CD2 3.8Å |
| 2303 | A | 79.8 | Confident | 80.1 | Confident | 9.6 Ų | 9.6 | 29.3 Ų | 29.3 | 8% | 0.079 | 16% | 0.163 | C | C | . | . | S | Bend | trans | -131.6 | 42.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | R2299 I2404 L2501 | R2299-A2303 HydrophobicContact CB-CB 4.49Å; R2299-A2303 CarbonylContact O-C 3.38Å; R2299-A2303 VanDerWaalsContact O-CA 3.26Å; R2299-A2303 WeakPolarHBondContact O-CA 3.4Å; R2299-A2303 VanDerWaalsContact O-CB 3.29Å; R2299-A2303 WeakPolarHBondContact O-CB 3.39Å; R2299-A2303 PolarHBondContact O-N 3.24Å; A2303-I2404 VanDerWaalsContact CA-CD1 3.44Å; A2303-I2404 HydrophobicContact CB-CD1 3.78Å; A2303-I2404 HydrophobicContact CB-CG1 4.09Å; A2303-I2404 WeakPolarHBondContact O-CD1 3.45Å; A2303-L2501 HydrophobicContact CB-CB 4.23Å; A2303-L2501 HydrophobicContact CB-CD2 4.32Å; A2303-L2501 WeakPolarHBondContact CB-O 3.3Å |
| 2304 | N | 78.7 | Confident | 80.5 | Confident | 20.2 Ų | 20.2 | 27.3 Ų | 27.3 | 11% | 0.108 | 15% | 0.149 | C | C | . | . | trans | -77.1 | 126.4 | -177.6 | -161.7 | -49 | 0 | 0 | 0 | 110.7 | R2299 L2300 T2306 Y2307 C2309 | R2299-N2304 PolarHBondContact O-N 3.14Å; L2300-N2304 WeakPolarHBondContact O-CB 3.39Å; L2300-N2304 PolarHBondContact O-ND2 3.23Å; N2304-T2306 VanDerWaalsContact CG-OG1 3.27Å; N2304-T2306 PolarHBondContact O-N 3.2Å; N2304-T2306 WeakPolarHBondContact OD1-CB 3.29Å; N2304-T2306 WeakPolarHBondContact OD1-CG2 3.3Å; N2304-T2306 PolarHBondContact OD1-N 3.29Å; N2304-T2306 PolarHBondContact OD1-OG1 3.05Å; N2304-Y2307 HydrophobicContact CB-CD1 4.43Å; N2304-Y2307 HydrophobicContact CB-CD2 4.44Å; N2304-Y2307 HydrophobicContact CB-CE1 4Å; N2304-Y2307 HydrophobicContact CB-CE2 4.05Å; N2304-Y2307 WeakPolarHBondContact ND2-CE1 3.35Å; N2304-Y2307 PolarHBondContact ND2-OH 2.78Å; N2304-Y2307 VanDerWaalsContact O-O 3.05Å; N2304-C2309 PolarHBondContact N-SG 3.34Å | ||
| 2305 | P | 73.7 | Confident | 80.1 | Confident | 97.6 Ų | 97.6 | 27.9 Ų | 27.9 | 63% | 0.634 | 16% | 0.155 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.7 | -8.4 | 178 | 30.3 | -36.3 | 0 | 0 | 0 | 113.6 | ||
| 2306 | T | 77.3 | Confident | 79.7 | Confident | 86.8 Ų | 86.8 | 30.9 Ų | 30.9 | 53% | 0.533 | 17% | 0.17 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86 | -24.1 | -177.6 | 63.8 | 0 | 0 | 0 | 0 | 113.6 | R2249 N2304 | R2249-T2306 VanDerWaalsContact CZ-O 3.28Å; R2249-T2306 PolarHBondContact NH1-O 3.08Å; R2249-T2306 VanDerWaalsContact NH1-O 3.12Å; R2249-T2306 VanDerWaalsContact NH2-C 3.29Å; R2249-T2306 PolarHBondContact NH2-O 3.14Å; R2249-T2306 VanDerWaalsContact NH2-O 3.11Å; N2304-T2306 VanDerWaalsContact CG-OG1 3.27Å; N2304-T2306 PolarHBondContact O-N 3.2Å; N2304-T2306 WeakPolarHBondContact OD1-CB 3.29Å; N2304-T2306 WeakPolarHBondContact OD1-CG2 3.3Å; N2304-T2306 PolarHBondContact OD1-N 3.29Å; N2304-T2306 PolarHBondContact OD1-OG1 3.05Å |
| 2307 | Y | 79.1 | Confident | 79 | Confident | 12.6 Ų | 12.6 | 29.2 Ų | 29.2 | 5% | 0.049 | 16% | 0.161 | C | C | . | . | S | Bend | trans | -146.1 | 150.5 | 177.9 | 49.9 | -93.9 | 0 | 0 | 0 | 111.8 | M2241 R2242 R2249 N2304 C2309 | M2241-Y2307 HydrophobicContact CB-CE2 4.39Å; M2241-Y2307 WeakPolarHBondContact O-CE2 3.28Å; R2242-Y2307 HydrophobicContact CB-CE1 4.42Å; R2242-Y2307 HydrophobicContact CG-CE1 4.3Å; R2249-Y2307 VanDerWaalsContact NH2-CB 3.33Å; N2304-Y2307 HydrophobicContact CB-CD1 4.43Å; N2304-Y2307 HydrophobicContact CB-CD2 4.44Å; N2304-Y2307 HydrophobicContact CB-CE1 4Å; N2304-Y2307 HydrophobicContact CB-CE2 4.05Å; N2304-Y2307 WeakPolarHBondContact ND2-CE1 3.35Å; N2304-Y2307 PolarHBondContact ND2-OH 2.78Å; N2304-Y2307 VanDerWaalsContact O-O 3.05Å; Y2307-C2309 HydrophobicContact CD2-CB 4.21Å; Y2307-C2309 WeakPolarHBondContact CD2-SG 3.37Å; Y2307-C2309 HydrophobicContact CE2-CB 4.2Å; Y2307-C2309 WeakPolarHBondContact CE2-SG 3.39Å; Y2307-C2309 PolarHBondContact O-N 3.04Å; Y2307-C2309 PolarHBondContact O-SG 3.22Å; Y2307-C2309 VanDerWaalsContact O-SG 3.42Å |
| 2308 | P | 80.5 | Confident | 77.5 | Confident | 11 Ų | 11 | 32.3 Ų | 32.3 | 7% | 0.071 | 18% | 0.178 | C | C | . | . | trans | -67.2 | 122.3 | -179.2 | 25.9 | -35 | 0 | 0 | 0 | 111.6 | G2245 A2248 L2401 V2402 D2403 | G2245-P2308 VanDerWaalsContact CA-O 3.3Å; G2245-P2308 WeakPolarHBondContact CA-O 3.36Å; G2245-P2308 WeakPolarHBondContact O-CD 3.38Å; G2245-P2308 WeakPolarHBondContact O-CG 3.48Å; A2248-P2308 HydrophobicContact CB-CG 3.93Å; P2308-L2401 HydrophobicContact CB-CB 4.3Å; P2308-L2401 WeakPolarHBondContact CB-O 3.3Å; P2308-V2402 WeakPolarHBondContact CA-O 3.35Å; P2308-V2402 VanDerWaalsContact CB-C 3.47Å; P2308-D2403 VanDerWaalsContact CA-OD1 3.27Å; P2308-D2403 WeakPolarHBondContact CA-OD1 3.17Å; P2308-D2403 WeakPolarHBondContact CB-OD1 3.23Å | ||
| 2309 | C | 82.8 | Confident | 75.6 | Confident | 1.2 Ų | 1.2 | 37.6 Ų | 37.6 | 1% | 0.008 | 21% | 0.205 | C | C | . | . | trans | -122.9 | -16.5 | -174.8 | -48.4 | 0 | 0 | 0 | 0 | 114.2 | M2241 F2302 N2304 Y2307 L2401 V2402 | M2241-C2309 HydrophobicContact CE-CB 3.9Å; F2302-C2309 WeakPolarHBondContact O-CB 3.44Å; F2302-C2309 PolarHBondContact O-SG 3.41Å; N2304-C2309 PolarHBondContact N-SG 3.34Å; Y2307-C2309 HydrophobicContact CD2-CB 4.21Å; Y2307-C2309 WeakPolarHBondContact CD2-SG 3.37Å; Y2307-C2309 HydrophobicContact CE2-CB 4.2Å; Y2307-C2309 WeakPolarHBondContact CE2-SG 3.39Å; Y2307-C2309 PolarHBondContact O-N 3.04Å; Y2307-C2309 PolarHBondContact O-SG 3.22Å; Y2307-C2309 VanDerWaalsContact O-SG 3.42Å; C2309-L2401 WeakPolarHBondContact O-CD2 3.25Å; C2309-V2402 PolarHBondContact N-O 3.03Å | ||
| 2310 | I | 85 | Confident | 73.6 | Confident | 0.2 Ų | 0.2 | 40 Ų | 40 | 0% | 0.001 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 119.6 | -171.3 | -57.3 | -102 | 0 | 0 | 0 | 109.6 | F2302 V2312 L2401 V2402 I2404 V2407 L2485 L2501 L2503 | F2302-I2310 VanDerWaalsContact O-CD1 3.23Å; F2302-I2310 WeakPolarHBondContact O-CD1 3.41Å; I2310-V2312 HydrophobicContact CG2-CG1 4.16Å; I2310-L2401 CarbonylContact O-C 3.58Å; I2310-L2401 WeakPolarHBondContact O-CA 3.38Å; I2310-V2402 HydrophobicContact CB-CG2 4.46Å; I2310-V2402 PolarHBondContact N-O 3.03Å; I2310-V2402 VanDerWaalsContact N-O 3.12Å; I2310-V2402 PolarHBondContact O-N 3Å; I2310-I2404 HydrophobicContact CD1-CB 4.26Å; I2310-I2404 HydrophobicContact CD1-CG1 3.84Å; I2310-I2404 HydrophobicContact CG1-CG1 4.17Å; I2310-V2407 HydrophobicContact CB-CG2 4.49Å; I2310-V2407 HydrophobicContact CD1-CB 4.42Å; I2310-V2407 HydrophobicContact CD1-CG2 4.26Å; I2310-V2407 HydrophobicContact CG2-CG1 4.26Å; I2310-V2407 HydrophobicContact CG2-CG2 4.25Å; I2310-L2485 HydrophobicContact CG2-CD2 3.89Å; I2310-L2501 HydrophobicContact CD1-CD1 4.45Å; I2310-L2503 HydrophobicContact CD1-CD1 4.02Å; I2310-L2503 HydrophobicContact CD1-CD2 3.47Å; I2310-L2503 VanDerWaalsContact CD1-CD2 3.47Å; I2310-L2503 HydrophobicContact CD1-CG 4.3Å; I2310-L2503 HydrophobicContact CG1-CD2 4.41Å |
| 2311 | L | 84.9 | Confident | 71.3 | Confident | 2 Ų | 2 | 45.3 Ų | 45.3 | 1% | 0.01 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 124.9 | 178.3 | -171.3 | 79.4 | 0 | 0 | 0 | 110.6 | L2258 T2259 M2263 Y2399 H2400 L2401 Y2489 | L2258-L2311 HydrophobicContact CB-CD1 3.73Å; L2258-L2311 HydrophobicContact CB-CD2 4.12Å; L2258-L2311 HydrophobicContact CD1-CD1 4.35Å; T2259-L2311 VanDerWaalsContact C-CD2 3.44Å; T2259-L2311 WeakPolarHBondContact O-CD2 3.4Å; M2263-L2311 HydrophobicContact CB-CD2 4.38Å; M2263-L2311 HydrophobicContact CG-CB 3.9Å; M2263-L2311 HydrophobicContact CG-CD2 3.58Å; M2263-L2311 HydrophobicContact CG-CG 4.26Å; L2311-Y2399 HydrophobicContact CD2-CG 4.43Å; L2311-Y2399 HydrophobicContact CG-CG 4.42Å; L2311-H2400 CarbonylContact C-O 3.56Å; L2311-H2400 WeakPolarHBondContact CA-O 3.3Å; L2311-L2401 HydrophobicContact CB-CD2 4.03Å; L2311-L2401 HydrophobicContact CD1-CD2 4.1Å; L2311-L2401 HydrophobicContact CD1-CG 4.34Å; L2311-Y2489 WeakPolarHBondContact CB-OH 3.36Å; L2311-Y2489 VanDerWaalsContact O-CE2 3.31Å; L2311-Y2489 WeakPolarHBondContact O-CE2 3.44Å; L2311-Y2489 PolarHBondContact O-OH 3.28Å |
| 2312 | V | 82.2 | Confident | 68.8 | Low | 1.2 Ų | 1.2 | 54.3 Ų | 54.3 | 1% | 0.007 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 150.6 | 179.7 | -60.7 | 0 | 0 | 0 | 0 | 110.8 | I2310 Y2399 H2400 V2402 V2407 F2483 L2485 | I2310-V2312 HydrophobicContact CG2-CG1 4.16Å; V2312-Y2399 CarbonylContact O-C 3.34Å; V2312-Y2399 VanDerWaalsContact O-CA 3.26Å; V2312-Y2399 WeakPolarHBondContact O-CA 3.41Å; V2312-H2400 HydrophobicContact CG2-CB 4.37Å; V2312-H2400 WeakPolarHBondContact CG2-O 3.43Å; V2312-H2400 PolarHBondContact N-O 3.16Å; V2312-H2400 PolarHBondContact O-N 3.17Å; V2312-V2402 HydrophobicContact CB-CG2 4.24Å; V2312-V2402 HydrophobicContact CG1-CG2 3.59Å; V2312-V2402 HydrophobicContact CG2-CB 4.25Å; V2312-V2402 HydrophobicContact CG2-CG1 3.58Å; V2312-V2402 HydrophobicContact CG2-CG2 3.43Å; V2312-V2402 VanDerWaalsContact CG2-CG2 3.42Å; V2312-V2407 HydrophobicContact CG1-CG1 4.35Å; V2312-V2407 HydrophobicContact CG1-CG2 4.02Å; V2312-F2483 HydrophobicContact CB-CB 3.96Å; V2312-F2483 HydrophobicContact CB-CD1 3.87Å; V2312-F2483 HydrophobicContact CB-CG 4.06Å; V2312-F2483 HydrophobicContact CG1-CB 3.81Å; V2312-F2483 HydrophobicContact CG1-CG 4.28Å; V2312-F2483 HydrophobicContact CG2-CB 4.09Å; V2312-F2483 HydrophobicContact CG2-CD1 3.34Å; V2312-F2483 HydrophobicContact CG2-CD2 4.23Å; V2312-F2483 HydrophobicContact CG2-CE1 3.67Å; V2312-F2483 HydrophobicContact CG2-CG 3.64Å; V2312-F2483 HydrophobicContact CG2-CZ 4.25Å; V2312-L2485 HydrophobicContact CG1-CD2 3.93Å |
| 2313 | Q | 80.2 | Confident | 66.2 | Low | 38.8 Ų | 38.8 | 60.4 Ų | 60.4 | 18% | 0.181 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 136.4 | 173.9 | -170.8 | 179.1 | 2 | 0 | 0 | 110.6 | T2317 M2318 P2397 Y2399 C2488 | Q2313-T2317 WeakPolarHBondContact CG-OG1 3.49Å; Q2313-T2317 PolarHBondContact NE2-OG1 3.08Å; Q2313-M2318 HydrophobicContact CB-CE 4.36Å; Q2313-P2397 HydrophobicContact CG-CB 4.4Å; Q2313-Y2399 HydrophobicContact CB-CD1 3.95Å; Q2313-Y2399 HydrophobicContact CB-CE1 3.82Å; Q2313-Y2399 HydrophobicContact CG-CD1 4.36Å; Q2313-Y2399 HydrophobicContact CG-CE1 4.06Å; Q2313-C2488 HydrophobicContact CB-CB 4.19Å; Q2313-C2488 VanDerWaalsContact CB-SG 3.51Å; Q2313-C2488 WeakPolarHBondContact CB-SG 3.4Å; Q2313-C2488 PolarHBondContact N-SG 2.87Å |
| 2314 | C | 79.5 | Confident | 63.6 | Low | 2.4 Ų | 2.4 | 67.8 Ų | 67.8 | 2% | 0.016 | 35% | 0.346 | C | S | . | . | trans | -64.7 | 124.2 | 175.7 | -175.9 | 0 | 0 | 0 | 0 | 110.7 | N2316 T2317 C2357 V2398 H2400 | C2314-N2316 PolarHBondContact O-N 3.09Å; C2314-N2316 VanDerWaalsContact O-N 3.13Å; C2314-T2317 HydrophobicContact CB-CG2 4.17Å; C2314-T2317 WeakPolarHBondContact O-CB 3.34Å; C2314-T2317 WeakPolarHBondContact O-CG2 3.33Å; C2314-T2317 PolarHBondContact O-N 3.32Å; C2314-T2317 PolarHBondContact O-OG1 3.23Å; C2314-C2357 VanDerWaalsContact SG-SG 3.65Å; C2314-V2398 HydrophobicContact CB-CB 4.18Å; C2314-V2398 HydrophobicContact CB-CG1 4.34Å; C2314-V2398 VanDerWaalsContact CB-O 3.24Å; C2314-V2398 WeakPolarHBondContact CB-O 3.36Å; C2314-V2398 PolarHBondContact N-O 3.21Å; C2314-H2400 VanDerWaalsContact CB-NE2 3.33Å; C2314-H2400 WeakPolarHBondContact CB-NE2 3.37Å; C2314-H2400 PolarHBondContact SG-NE2 3.25Å | ||
| 2315 | P | 68.6 | Low | 61.3 | Low | 38.2 Ų | 38.2 | 74.4 Ų | 74.4 | 25% | 0.248 | 38% | 0.376 | C | S | . | . | G | 310 helix | trans | -61.7 | -27.6 | -179.2 | 23 | -32.9 | 0 | 0 | 0 | 112.7 | T2317 M2318 C2354 F2483 | P2315-T2317 PolarHBondContact O-N 3.05Å; P2315-T2317 VanDerWaalsContact O-N 3.17Å; P2315-M2318 WeakPolarHBondContact O-CB 3.42Å; P2315-M2318 PolarHBondContact O-N 3.17Å; P2315-C2354 HydrophobicContact CG-CB 3.91Å; P2315-F2483 HydrophobicContact CG-CE1 4.34Å |
| 2316 | N | 66.4 | Low | 59 | Low | 87.6 Ų | 87.6 | 79.2 Ų | 79.2 | 47% | 0.468 | 39% | 0.387 | S | S | . | . | G | 310 helix | trans | -65.7 | -19.9 | 176.9 | -62.8 | -14 | 0 | 0 | 0 | 113.1 | C2314 M2318 I2319 Y2352 C2354 | C2314-N2316 PolarHBondContact O-N 3.09Å; C2314-N2316 VanDerWaalsContact O-N 3.13Å; N2316-M2318 VanDerWaalsContact C-N 3.28Å; N2316-M2318 PolarHBondContact O-N 2.83Å; N2316-I2319 WeakPolarHBondContact O-CB 3.39Å; N2316-I2319 PolarHBondContact O-N 3.07Å; N2316-Y2352 PolarHBondContact OD1-O 3Å; N2316-C2354 PolarHBondContact OD1-N 2.91Å |
| 2317 | T | 62.1 | Low | 56.6 | Low | 25.6 Ų | 25.6 | 86.5 Ų | 86.5 | 16% | 0.157 | 40% | 0.404 | C | S | . | . | G | 310 helix | trans | -93.3 | -2.6 | -179.7 | 63.9 | 0 | 0 | 0 | 0 | 113.9 | Q2313 C2314 P2315 I2319 T2320 V2398 | Q2313-T2317 WeakPolarHBondContact CG-OG1 3.49Å; Q2313-T2317 PolarHBondContact NE2-OG1 3.08Å; C2314-T2317 HydrophobicContact CB-CG2 4.17Å; C2314-T2317 WeakPolarHBondContact O-CB 3.34Å; C2314-T2317 WeakPolarHBondContact O-CG2 3.33Å; C2314-T2317 PolarHBondContact O-N 3.32Å; C2314-T2317 PolarHBondContact O-OG1 3.23Å; P2315-T2317 PolarHBondContact O-N 3.05Å; P2315-T2317 VanDerWaalsContact O-N 3.17Å; T2317-I2319 VanDerWaalsContact C-N 3.34Å; T2317-I2319 PolarHBondContact O-N 3.11Å; T2317-I2319 VanDerWaalsContact O-N 3.12Å; T2317-T2320 PolarHBondContact O-OG1 2.86Å; T2317-V2398 HydrophobicContact CG2-CB 3.72Å; T2317-V2398 HydrophobicContact CG2-CG2 3.88Å; T2317-V2398 PolarHBondContact OG1-N 3.05Å |
| 2318 | M | 50.7 | Low | 54.3 | Low | 80.2 Ų | 80.2 | 91.6 Ų | 91.6 | 40% | 0.395 | 44% | 0.439 | S | S | . | . | trans | -71 | 83.9 | 173.1 | -92.6 | -157.2 | 173 | 0 | 0 | 110 | Q2313 P2315 N2316 T2320 K2487 | Q2313-M2318 HydrophobicContact CB-CE 4.36Å; P2315-M2318 WeakPolarHBondContact O-CB 3.42Å; P2315-M2318 PolarHBondContact O-N 3.17Å; N2316-M2318 VanDerWaalsContact C-N 3.28Å; N2316-M2318 PolarHBondContact O-N 2.83Å; M2318-T2320 PolarHBondContact O-N 3.06Å; M2318-K2487 HydrophobicContact CE-CB 3.91Å; M2318-K2487 HydrophobicContact CE-CD 3.6Å; M2318-K2487 HydrophobicContact CE-CG 4.28Å; M2318-K2487 HydrophobicContact SD-CD 4.2Å | ||
| 2319 | I | 45 | Very low | 51.7 | Low | 114.2 Ų | 114.2 | 102.4 Ų | 102.4 | 59% | 0.586 | 48% | 0.478 | S | S | * | . | trans | -68.8 | 73 | 170.8 | -57.2 | 175.1 | 0 | 0 | 0 | 107.6 | N2316 T2317 R2321 V2351 S2395 | N2316-I2319 WeakPolarHBondContact O-CB 3.39Å; N2316-I2319 PolarHBondContact O-N 3.07Å; T2317-I2319 VanDerWaalsContact C-N 3.34Å; T2317-I2319 PolarHBondContact O-N 3.11Å; T2317-I2319 VanDerWaalsContact O-N 3.12Å; I2319-R2321 HydrophobicContact CG2-CB 4.18Å; I2319-R2321 PolarHBondContact O-N 3.24Å; I2319-V2351 HydrophobicContact CD1-CG1 3.97Å; I2319-S2395 WeakPolarHBondContact CD1-OG 3.35Å | ||
| 2320 | T | 39.6 | Very low | 49.1 | Very low | 112.2 Ų | 112.2 | 107.3 Ų | 107.3 | 69% | 0.688 | 51% | 0.513 | S | S | * | . | trans | -68.1 | 69.1 | 167.1 | 43.1 | 0 | 0 | 0 | 0 | 109 | T2317 M2318 K2322 L2323 | T2317-T2320 PolarHBondContact O-OG1 2.86Å; M2318-T2320 PolarHBondContact O-N 3.06Å; T2320-K2322 VanDerWaalsContact C-N 3.3Å; T2320-K2322 PolarHBondContact O-N 3.11Å; T2320-L2323 PolarHBondContact O-N 3.19Å | ||
| 2321 | R | 32.8 | Very low | 46.4 | Very low | 209.6 Ų | 209.6 | 113.8 Ų | 113.8 | 79% | 0.791 | 55% | 0.548 | S | S | * | . | trans | -82.2 | 77.4 | 167.8 | -88.3 | -176.8 | 177.3 | 166.1 | 0.3 | 109 | I2319 L2323 | I2319-R2321 HydrophobicContact CG2-CB 4.18Å; I2319-R2321 PolarHBondContact O-N 3.24Å; R2321-L2323 PolarHBondContact O-N 2.97Å; R2321-L2323 VanDerWaalsContact O-N 3.09Å | ||
| 2322 | K | 30.4 | Very low | 43.8 | Very low | 189 Ų | 189 | 119.7 Ų | 119.7 | 82% | 0.822 | 58% | 0.584 | S | S | * | * | trans | -65.5 | 97.2 | 161.1 | -81.3 | -174.7 | 177.1 | 179.1 | 0 | 107.4 | T2320 M2324 | T2320-K2322 VanDerWaalsContact C-N 3.3Å; T2320-K2322 PolarHBondContact O-N 3.11Å; K2322-M2324 PolarHBondContact O-N 2.92Å | ||
| 2323 | L | 30.2 | Very low | 41.1 | Very low | 128.6 Ų | 128.6 | 127.2 Ų | 127.2 | 67% | 0.673 | 62% | 0.624 | S | S | * | * | trans | -70.2 | 77.9 | 175.3 | -120.8 | 98 | 0 | 0 | 0 | 109.3 | T2320 R2321 H2325 | T2320-L2323 PolarHBondContact O-N 3.19Å; R2321-L2323 PolarHBondContact O-N 2.97Å; R2321-L2323 VanDerWaalsContact O-N 3.09Å; L2323-H2325 WeakPolarHBondContact CD1-NE2 3.39Å; L2323-H2325 WeakPolarHBondContact CD2-CD2 3.24Å; L2323-H2325 VanDerWaalsContact CD2-CE1 3.48Å; L2323-H2325 WeakPolarHBondContact CD2-CE1 3.36Å; L2323-H2325 VanDerWaalsContact CD2-NE2 3.3Å; L2323-H2325 WeakPolarHBondContact CD2-NE2 3.37Å; L2323-H2325 WeakPolarHBondContact CG-CD2 3.42Å; L2323-H2325 VanDerWaalsContact CG-NE2 3.29Å; L2323-H2325 WeakPolarHBondContact CG-NE2 3.23Å; L2323-H2325 PolarHBondContact O-N 3.01Å; L2323-H2325 VanDerWaalsContact O-N 3.16Å | ||
| 2324 | M | 26.9 | Very low | 38.6 | Very low | 164.2 Ų | 164.2 | 131.5 Ų | 131.5 | 81% | 0.809 | 65% | 0.653 | S | S | * | * | trans | -81.5 | 68.1 | 169.8 | -80.1 | -82.4 | 130.2 | 0 | 0 | 108.6 | K2322 K2326 | K2322-M2324 PolarHBondContact O-N 2.92Å; M2324-K2326 VanDerWaalsContact C-N 3.32Å; M2324-K2326 PolarHBondContact O-N 3.14Å; M2324-K2326 VanDerWaalsContact O-N 3.14Å | ||
| 2325 | H | 28.5 | Very low | 36.1 | Very low | 160.2 Ų | 160.2 | 137.6 Ų | 137.6 | 74% | 0.742 | 69% | 0.69 | S | S | * | * | trans | -75.3 | 91.3 | 169.3 | -74.7 | -39.8 | 0 | 0 | 0 | 109.4 | L2323 R2327 | L2323-H2325 WeakPolarHBondContact CD1-NE2 3.39Å; L2323-H2325 WeakPolarHBondContact CD2-CD2 3.24Å; L2323-H2325 VanDerWaalsContact CD2-CE1 3.48Å; L2323-H2325 WeakPolarHBondContact CD2-CE1 3.36Å; L2323-H2325 VanDerWaalsContact CD2-NE2 3.3Å; L2323-H2325 WeakPolarHBondContact CD2-NE2 3.37Å; L2323-H2325 WeakPolarHBondContact CG-CD2 3.42Å; L2323-H2325 VanDerWaalsContact CG-NE2 3.29Å; L2323-H2325 WeakPolarHBondContact CG-NE2 3.23Å; L2323-H2325 PolarHBondContact O-N 3.01Å; L2323-H2325 VanDerWaalsContact O-N 3.16Å; H2325-R2327 PolarHBondContact O-N 3.35Å | ||
| 2326 | K | 26.9 | Very low | 34.1 | Very low | 198.4 Ų | 198.4 | 141.7 Ų | 141.7 | 86% | 0.863 | 72% | 0.715 | S | S | * | * | trans | -85.7 | 106.4 | 163 | -84.9 | -179.8 | 177.6 | 178.2 | 0 | 108.5 | M2324 P2328 | M2324-K2326 VanDerWaalsContact C-N 3.32Å; M2324-K2326 PolarHBondContact O-N 3.14Å; M2324-K2326 VanDerWaalsContact O-N 3.14Å; K2326-P2328 WeakPolarHBondContact O-CD 3.15Å | ||
| 2327 | R | 27 | Very low | 32.1 | Very low | 238.8 Ų | 238.8 | 144.4 Ų | 144.4 | 90% | 0.901 | 73% | 0.729 | S | S | * | * | trans | -59.5 | 125 | 168.9 | -115.1 | 179.1 | -176.9 | 163.7 | 0.7 | 108.2 | H2325 R2329 | H2325-R2327 PolarHBondContact O-N 3.35Å; R2327-R2329 PolarHBondContact O-N 3.1Å | ||
| 2328 | P | 30.4 | Very low | 30.3 | Very low | 119.8 Ų | 119.8 | 149 Ų | 149 | 78% | 0.778 | 76% | 0.757 | S | S | * | * | trans | -66.8 | 130.3 | 172 | -1.4 | 12.3 | 0 | 0 | 0 | 108.7 | K2326 S2330 | K2326-P2328 WeakPolarHBondContact O-CD 3.15Å; P2328-S2330 PolarHBondContact O-N 2.98Å; P2328-S2330 VanDerWaalsContact O-N 3.1Å | ||
| 2329 | R | 25.8 | Very low | 29.1 | Very low | 237.2 Ų | 237.2 | 153.8 Ų | 153.8 | 90% | 0.895 | 78% | 0.778 | S | S | * | * | trans | -72.4 | 113.4 | 172.6 | -140.1 | 177.5 | -175.9 | 140.6 | -1.5 | 107.8 | R2327 D2331 | R2327-R2329 PolarHBondContact O-N 3.1Å; R2329-D2331 PolarHBondContact O-N 3.21Å | ||
| 2330 | S | 28.9 | Very low | 28.2 | Very low | 105.6 Ų | 105.6 | 154.9 Ų | 154.9 | 74% | 0.738 | 79% | 0.785 | S | S | * | * | trans | -91 | 104.6 | 168.8 | 54.4 | 0 | 0 | 0 | 0 | 109.2 | P2328 T2332 | P2328-S2330 PolarHBondContact O-N 2.98Å; P2328-S2330 VanDerWaalsContact O-N 3.1Å; S2330-T2332 PolarHBondContact O-N 2.9Å | ||
| 2331 | D | 27.4 | Very low | 27.5 | Very low | 136.8 Ų | 136.8 | 156.3 Ų | 156.3 | 73% | 0.732 | 79% | 0.788 | S | S | * | * | trans | -88 | 127.7 | 157.1 | -67.9 | -39.8 | 0 | 0 | 0 | 111 | R2329 | R2329-D2331 PolarHBondContact O-N 3.21Š| ||
| 2332 | T | 30.2 | Very low | 27.2 | Very low | 125.6 Ų | 125.6 | 152.8 Ų | 152.8 | 77% | 0.771 | 79% | 0.786 | S | S | * | * | trans | 172.4 | 110.8 | 147 | -11.6 | 0 | 0 | 0 | 0 | 113.3 | S2330 T2334 | S2330-T2332 PolarHBondContact O-N 2.9Å; T2332-T2334 PolarHBondContact O-N 3.23Å | ||
| 2333 | N | 26.2 | Very low | 26.9 | Very low | 157.4 Ų | 157.4 | 150.3 Ų | 150.3 | 84% | 0.842 | 78% | 0.781 | S | S | * | * | trans | -27.8 | 115.9 | 152.9 | -71.3 | -28.9 | 0 | 0 | 0 | 113.5 | ||||
| 2334 | T | 28 | Very low | 26.7 | Very low | 129.4 Ų | 129.4 | 149.9 Ų | 149.9 | 79% | 0.794 | 78% | 0.784 | S | S | * | * | -133.8 | 114.2 | 129.5 | -12.1 | 0 | 0 | 0 | 0 | 110.7 | T2332 V2336 | T2332-T2334 PolarHBondContact O-N 3.23Å; T2334-V2336 PolarHBondContact O-N 3.18Å; T2334-V2336 VanDerWaalsContact O-N 3.12Å | |||
| 2335 | T | 25.2 | Very low | 26.7 | Very low | 130.4 Ų | 130.4 | 148.7 Ų | 148.7 | 80% | 0.8 | 78% | 0.781 | S | S | * | * | trans | -78 | 126 | 163.7 | 29.8 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 2336 | V | 26.6 | Very low | 26.6 | Very low | 125.6 Ų | 125.6 | 149.2 Ų | 149.2 | 76% | 0.761 | 79% | 0.788 | S | S | * | * | trans | -177.2 | 108 | 155.6 | -175.5 | 0 | 0 | 0 | 0 | 112.4 | T2334 | T2334-V2336 PolarHBondContact O-N 3.18Å; T2334-V2336 VanDerWaalsContact O-N 3.12Å | ||
| 2337 | N | 25.9 | Very low | 26.6 | Very low | 143.2 Ų | 143.2 | 143.9 Ų | 143.9 | 77% | 0.766 | 78% | 0.776 | S | S | * | * | trans | -8.7 | 113.2 | 150.7 | -71.6 | -19.4 | 0 | 0 | 0 | 116.5 | H2339 | N2337-H2339 PolarHBondContact O-N 2.84Š| ||
| 2338 | T | 24.5 | Very low | 26.7 | Very low | 123.6 Ų | 123.6 | 141.3 Ų | 141.3 | 76% | 0.758 | 77% | 0.774 | S | S | * | * | trans | 5.9 | 110.6 | 135.5 | 43.2 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 2339 | H | 25.2 | Very low | 26.9 | Very low | 180.6 Ų | 180.6 | 139.9 Ų | 139.9 | 84% | 0.836 | 77% | 0.767 | S | S | * | * | trans | -163 | 139.5 | 139.4 | -97.2 | -65.7 | 0 | 0 | 0 | 111.5 | N2337 | N2337-H2339 PolarHBondContact O-N 2.84Š| ||
| 2340 | N | 26.3 | Very low | 27.5 | Very low | 136.4 Ų | 136.4 | 134.8 Ų | 134.8 | 73% | 0.729 | 76% | 0.758 | S | S | * | * | trans | 4.6 | 116.3 | 176.7 | -79.5 | -5.7 | 0 | 0 | 0 | 116.4 | D2342 | N2340-D2342 VanDerWaalsContact C-N 3.31Å; N2340-D2342 PolarHBondContact O-N 3.27Å; N2340-D2342 VanDerWaalsContact O-N 3.12Å | ||
| 2341 | N | 24.3 | Very low | 28.4 | Very low | 141.2 Ų | 141.2 | 134.3 Ų | 134.3 | 76% | 0.755 | 75% | 0.75 | S | S | * | * | trans | -76.4 | 87.8 | 165.1 | -113.9 | 3 | 0 | 0 | 0 | 110.2 | N2343 | N2341-N2343 VanDerWaalsContact C-N 3.32Å; N2341-N2343 PolarHBondContact O-N 3.03Å | ||
| 2342 | D | 26 | Very low | 29.7 | Very low | 137.4 Ų | 137.4 | 133.3 Ų | 133.3 | 74% | 0.735 | 74% | 0.737 | S | S | * | * | trans | -102.6 | 84.4 | 150.9 | -75.7 | -28 | 0 | 0 | 0 | 108.8 | N2340 V2344 | N2340-D2342 VanDerWaalsContact C-N 3.31Å; N2340-D2342 PolarHBondContact O-N 3.27Å; N2340-D2342 VanDerWaalsContact O-N 3.12Å; D2342-V2344 VanDerWaalsContact C-N 3.34Å; D2342-V2344 HydrophobicContact CB-CG2 4.39Å; D2342-V2344 PolarHBondContact O-N 3.06Å | ||
| 2343 | N | 24.6 | Very low | 31.2 | Very low | 135.2 Ų | 135.2 | 133.8 Ų | 133.8 | 72% | 0.723 | 73% | 0.728 | S | S | * | * | trans | -75.7 | 98.3 | 167.9 | -86.9 | -27.6 | 0 | 0 | 0 | 108 | N2341 D2345 | N2341-N2343 VanDerWaalsContact C-N 3.32Å; N2341-N2343 PolarHBondContact O-N 3.03Å; N2343-D2345 PolarHBondContact O-N 3.12Å; N2343-D2345 VanDerWaalsContact O-N 3.1Å | ||
| 2344 | V | 26.1 | Very low | 33.3 | Very low | 120 Ų | 120 | 126.4 Ų | 126.4 | 73% | 0.727 | 69% | 0.688 | S | S | * | * | trans | -76.9 | 110 | 164.4 | 179.4 | 0 | 0 | 0 | 0 | 107.1 | D2342 L2346 | D2342-V2344 VanDerWaalsContact C-N 3.34Å; D2342-V2344 HydrophobicContact CB-CG2 4.39Å; D2342-V2344 PolarHBondContact O-N 3.06Å; V2344-L2346 HydrophobicContact CG1-CD1 4.34Å; V2344-L2346 HydrophobicContact CG1-CG 4.05Å; V2344-L2346 PolarHBondContact O-N 3.46Å; V2344-L2346 VanDerWaalsContact O-N 3.16Å | ||
| 2345 | D | 26 | Very low | 35.2 | Very low | 140 Ų | 140 | 122.6 Ų | 122.6 | 75% | 0.749 | 67% | 0.666 | S | S | * | * | trans | -58.4 | 105.7 | 175.5 | -80.2 | -46.5 | 0 | 0 | 0 | 110.6 | N2343 S2347 | N2343-D2345 PolarHBondContact O-N 3.12Å; N2343-D2345 VanDerWaalsContact O-N 3.1Å; D2345-S2347 PolarHBondContact O-N 3.34Å | ||
| 2346 | L | 26.6 | Very low | 37.3 | Very low | 170.4 Ų | 170.4 | 118 Ų | 118 | 89% | 0.892 | 64% | 0.638 | S | S | * | * | trans | -86.9 | 49.1 | 175.9 | -93.7 | 157.8 | 0 | 0 | 0 | 112.8 | V2344 E2348 | V2344-L2346 HydrophobicContact CG1-CD1 4.34Å; V2344-L2346 HydrophobicContact CG1-CG 4.05Å; V2344-L2346 PolarHBondContact O-N 3.46Å; V2344-L2346 VanDerWaalsContact O-N 3.16Å; L2346-E2348 PolarHBondContact O-N 3.14Å | ||
| 2347 | S | 27.7 | Very low | 39.5 | Very low | 86.8 Ų | 86.8 | 114.4 Ų | 114.4 | 61% | 0.607 | 62% | 0.618 | S | S | * | * | trans | -113.8 | 54.7 | 175.9 | 61.6 | 0 | 0 | 0 | 0 | 112.5 | D2345 S2349 V2351 | D2345-S2347 PolarHBondContact O-N 3.34Å; S2347-S2349 PolarHBondContact O-N 2.93Å; S2347-S2349 PolarHBondContact O-OG 3.32Å; S2347-V2351 WeakPolarHBondContact O-CG2 3.48Å | ||
| 2348 | E | 27.8 | Very low | 41.4 | Very low | 184 Ų | 184 | 113.3 Ų | 113.3 | 86% | 0.86 | 61% | 0.608 | S | S | * | * | trans | -95.7 | 43.9 | 164.7 | -81.4 | -175.6 | 167.7 | 0 | 0 | 112.3 | L2346 N2350 | L2346-E2348 PolarHBondContact O-N 3.14Å; E2348-N2350 VanDerWaalsContact C-N 3.3Å; E2348-N2350 PolarHBondContact O-N 3.17Å | ||
| 2349 | S | 36 | Very low | 43.1 | Very low | 91.6 Ų | 91.6 | 110.5 Ų | 110.5 | 64% | 0.641 | 60% | 0.598 | S | S | * | * | S | Bend | trans | -81 | 100.7 | 161.9 | 53.5 | 0 | 0 | 0 | 0 | 108.1 | S2347 V2351 | S2347-S2349 PolarHBondContact O-N 2.93Å; S2347-S2349 PolarHBondContact O-OG 3.32Å; S2349-V2351 VanDerWaalsContact C-N 3.26Å; S2349-V2351 WeakPolarHBondContact O-CA 3.39Å; S2349-V2351 VanDerWaalsContact O-CG2 3.28Å; S2349-V2351 WeakPolarHBondContact O-CG2 3.31Å; S2349-V2351 PolarHBondContact O-N 3.19Å |
| 2350 | N | 38.8 | Very low | 44.6 | Very low | 130 Ų | 130 | 105.5 Ų | 105.5 | 70% | 0.695 | 58% | 0.575 | S | S | * | * | trans | -9.5 | 68.3 | 175.5 | -73.9 | -19.5 | 0 | 0 | 0 | 112.7 | E2348 Y2352 | E2348-N2350 VanDerWaalsContact C-N 3.3Å; E2348-N2350 PolarHBondContact O-N 3.17Å; N2350-Y2352 HydrophobicContact CB-CE2 4.24Å; N2350-Y2352 WeakPolarHBondContact O-CD2 3.35Å; N2350-Y2352 PolarHBondContact O-N 3Å | ||
| 2351 | V | 46.2 | Very low | 45.4 | Very low | 95.6 Ų | 95.6 | 103.7 Ų | 103.7 | 58% | 0.579 | 57% | 0.571 | S | S | * | * | trans | -70.4 | 93.1 | 170.4 | -177.9 | 0 | 0 | 0 | 0 | 105.3 | I2319 S2347 S2349 K2353 | I2319-V2351 HydrophobicContact CD1-CG1 3.97Å; S2347-V2351 WeakPolarHBondContact O-CG2 3.48Å; S2349-V2351 VanDerWaalsContact C-N 3.26Å; S2349-V2351 WeakPolarHBondContact O-CA 3.39Å; S2349-V2351 VanDerWaalsContact O-CG2 3.28Å; S2349-V2351 WeakPolarHBondContact O-CG2 3.31Å; S2349-V2351 PolarHBondContact O-N 3.19Å; V2351-K2353 WeakPolarHBondContact O-CG 3.34Å; V2351-K2353 PolarHBondContact O-N 3.21Å | ||
| 2352 | Y | 54.8 | Low | 46 | Very low | 115.2 Ų | 115.2 | 106.9 Ų | 106.9 | 45% | 0.452 | 58% | 0.578 | S | S | . | * | trans | -54 | 111.6 | 172.3 | -79.1 | -82 | 0 | 0 | 0 | 107.5 | N2316 N2350 C2354 P2480 I2482 | N2316-Y2352 PolarHBondContact OD1-O 3Å; N2350-Y2352 HydrophobicContact CB-CE2 4.24Å; N2350-Y2352 WeakPolarHBondContact O-CD2 3.35Å; N2350-Y2352 PolarHBondContact O-N 3Å; Y2352-C2354 PolarHBondContact O-N 3.1Å; Y2352-P2480 HydrophobicContact CD1-CG 4.18Å; Y2352-P2480 HydrophobicContact CE1-CB 4.34Å; Y2352-P2480 HydrophobicContact CE1-CG 3.81Å; Y2352-I2482 HydrophobicContact CD1-CD1 4.35Å; Y2352-I2482 HydrophobicContact CD1-CG1 3.97Å; Y2352-I2482 HydrophobicContact CD2-CG1 4.21Å; Y2352-I2482 HydrophobicContact CG-CB 4.5Å; Y2352-I2482 HydrophobicContact CG-CD1 4.31Å; Y2352-I2482 HydrophobicContact CG-CG1 4Å; Y2352-I2482 HydrophobicContact CG-CG2 4.21Å | ||
| 2353 | K | 61.5 | Low | 46.2 | Very low | 136.6 Ų | 136.6 | 105 Ų | 105 | 59% | 0.594 | 58% | 0.576 | S | S | * | * | trans | -64 | 136.4 | 175 | -61.7 | -178.8 | -175 | 172 | 0 | 108 | V2351 P2355 E2358 | V2351-K2353 WeakPolarHBondContact O-CG 3.34Å; V2351-K2353 PolarHBondContact O-N 3.21Å; K2353-P2355 VanDerWaalsContact O-CD 3.24Å; K2353-P2355 WeakPolarHBondContact O-CD 3.39Å; K2353-P2355 VanDerWaalsContact O-N 3.1Å; K2353-E2358 HydrophobicContact CB-CG 4.19Å; K2353-E2358 HydrophobicContact CD-CG 4.08Å; K2353-E2358 WeakPolarHBondContact CD-OE1 3.27Å; K2353-E2358 WeakPolarHBondContact CD-OE2 3.4Å; K2353-E2358 WeakPolarHBondContact CE-OE1 3.48Å; K2353-E2358 IonicContact NZ-OE1 3.45Å; K2353-E2358 PolarHBondContact NZ-OE1 3.5Å; K2353-E2358 IonicContact NZ-OE2 2.94Å; K2353-E2358 PolarHBondContact NZ-OE2 3.29Å | ||
| 2354 | C | 70.8 | Confident | 46.4 | Very low | 0.4 Ų | 0.4 | 104 Ų | 104 | 0% | 0.003 | 58% | 0.58 | C | S | . | * | trans | -62 | 116 | 177.7 | -178 | 0 | 0 | 0 | 0 | 110 | P2315 N2316 Y2352 V2356 C2357 E2358 H2400 | P2315-C2354 HydrophobicContact CG-CB 3.91Å; N2316-C2354 PolarHBondContact OD1-N 2.91Å; Y2352-C2354 PolarHBondContact O-N 3.1Å; C2354-V2356 VanDerWaalsContact C-N 3.26Å; C2354-V2356 PolarHBondContact O-N 2.99Å; C2354-C2357 HydrophobicContact CB-CB 3.95Å; C2354-C2357 PolarHBondContact O-N 3.21Å; C2354-C2357 VanDerWaalsContact O-N 3.09Å; C2354-C2357 VanDerWaalsContact SG-SG 3.66Å; C2354-E2358 PolarHBondContact O-N 3Å; C2354-E2358 VanDerWaalsContact O-N 3.16Å; C2354-H2400 PolarHBondContact SG-CD2 3.17Å; C2354-H2400 VanDerWaalsContact SG-CD2 3.54Å | ||
| 2355 | P | 68.2 | Low | 46.5 | Very low | 49.6 Ų | 49.6 | 104.2 Ų | 104.2 | 32% | 0.322 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -63.6 | -29.9 | -176.4 | 25.3 | -35 | 0 | 0 | 0 | 112.2 | K2353 E2358 A2359 I2482 F2483 | K2353-P2355 VanDerWaalsContact O-CD 3.24Å; K2353-P2355 WeakPolarHBondContact O-CD 3.39Å; K2353-P2355 VanDerWaalsContact O-N 3.1Å; P2355-E2358 PolarHBondContact O-N 3.18Å; P2355-A2359 WeakPolarHBondContact O-CB 3.26Å; P2355-A2359 PolarHBondContact O-N 3.21Å; P2355-A2359 VanDerWaalsContact O-N 3.1Å; P2355-I2482 HydrophobicContact CG-CD1 3.99Å; P2355-F2483 HydrophobicContact CG-CE2 3.92Å; P2355-F2483 HydrophobicContact CG-CZ 4.09Å |
| 2356 | V | 70 | Confident | 46.5 | Very low | 34.2 Ų | 34.2 | 102.4 Ų | 102.4 | 21% | 0.207 | 58% | 0.579 | C | S | . | * | H | α-helix | trans | -67.5 | -44.5 | 176.2 | -174.5 | 0 | 0 | 0 | 0 | 110.9 | C2354 E2358 A2359 M2360 H2400 V2402 F2483 | C2354-V2356 VanDerWaalsContact C-N 3.26Å; C2354-V2356 PolarHBondContact O-N 2.99Å; V2356-E2358 VanDerWaalsContact C-N 3.3Å; V2356-E2358 PolarHBondContact O-N 2.98Å; V2356-A2359 PolarHBondContact O-N 3.24Å; V2356-M2360 PolarHBondContact O-N 2.93Å; V2356-H2400 HydrophobicContact CB-CB 4.44Å; V2356-H2400 HydrophobicContact CG1-CB 4.27Å; V2356-H2400 HydrophobicContact CG2-CB 4.19Å; V2356-V2402 HydrophobicContact CG2-CG1 4.07Å; V2356-V2402 HydrophobicContact CG2-CG2 4.09Å; V2356-F2483 HydrophobicContact CG2-CZ 4.47Å |
| 2357 | C | 71.8 | Confident | 46.5 | Very low | 50.2 Ų | 50.2 | 102.3 Ų | 102.3 | 34% | 0.339 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -68.5 | -27.3 | 178 | -62.4 | 0 | 0 | 0 | 0 | 113.1 | C2314 C2354 H2400 | C2314-C2357 VanDerWaalsContact SG-SG 3.65Å; C2354-C2357 HydrophobicContact CB-CB 3.95Å; C2354-C2357 PolarHBondContact O-N 3.21Å; C2354-C2357 VanDerWaalsContact O-N 3.09Å; C2354-C2357 VanDerWaalsContact SG-SG 3.66Å; C2357-H2400 PolarHBondContact SG-NE2 3.1Å; C2357-H2400 VanDerWaalsContact SG-NE2 3.36Å |
| 2358 | E | 65.3 | Low | 46.5 | Very low | 121 Ų | 121 | 106.8 Ų | 106.8 | 57% | 0.565 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -78 | -31.9 | 175.1 | -73.3 | -160.7 | 140.1 | 0 | 0 | 113 | K2353 C2354 P2355 V2356 M2360 | K2353-E2358 HydrophobicContact CB-CG 4.19Å; K2353-E2358 HydrophobicContact CD-CG 4.08Å; K2353-E2358 WeakPolarHBondContact CD-OE1 3.27Å; K2353-E2358 WeakPolarHBondContact CD-OE2 3.4Å; K2353-E2358 WeakPolarHBondContact CE-OE1 3.48Å; K2353-E2358 IonicContact NZ-OE1 3.45Å; K2353-E2358 PolarHBondContact NZ-OE1 3.5Å; K2353-E2358 IonicContact NZ-OE2 2.94Å; K2353-E2358 PolarHBondContact NZ-OE2 3.29Å; C2354-E2358 PolarHBondContact O-N 3Å; C2354-E2358 VanDerWaalsContact O-N 3.16Å; P2355-E2358 PolarHBondContact O-N 3.18Å; V2356-E2358 VanDerWaalsContact C-N 3.3Å; V2356-E2358 PolarHBondContact O-N 2.98Å; E2358-M2360 VanDerWaalsContact C-N 3.28Å; E2358-M2360 PolarHBondContact O-N 3.02Å |
| 2359 | A | 60.4 | Low | 46.4 | Very low | 65 Ų | 65 | 102.7 Ų | 102.7 | 54% | 0.537 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -71.1 | -20.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | N2251 P2355 V2356 P2361 | N2251-A2359 PolarHBondContact ND2-O 3.2Å; P2355-A2359 WeakPolarHBondContact O-CB 3.26Å; P2355-A2359 PolarHBondContact O-N 3.21Å; P2355-A2359 VanDerWaalsContact O-N 3.1Å; V2356-A2359 PolarHBondContact O-N 3.24Å; A2359-P2361 VanDerWaalsContact O-CD 3.3Å; A2359-P2361 WeakPolarHBondContact O-CD 3.27Å; A2359-P2361 VanDerWaalsContact O-N 3.14Å |
| 2360 | M | 56.5 | Low | 46 | Very low | 75.2 Ų | 75.2 | 104.1 Ų | 104.1 | 37% | 0.37 | 59% | 0.587 | S | S | . | * | S | Bend | trans | -60.6 | 117.5 | 172.2 | -80.9 | -75.3 | -159 | 0 | 0 | 109.8 | N2251 V2356 E2358 K2362 | N2251-M2360 HydrophobicContact CB-CE 4.01Å; N2251-M2360 HydrophobicContact CB-SD 3.67Å; N2251-M2360 VanDerWaalsContact CB-SD 3.51Å; N2251-M2360 WeakPolarHBondContact CB-SD 3.43Å; N2251-M2360 VanDerWaalsContact CG-SD 3.56Å; N2251-M2360 WeakPolarHBondContact O-CE 3.18Å; N2251-M2360 WeakPolarHBondContact OD1-CE 3.42Å; V2356-M2360 PolarHBondContact O-N 2.93Å; E2358-M2360 VanDerWaalsContact C-N 3.28Å; E2358-M2360 PolarHBondContact O-N 3.02Å; M2360-K2362 PolarHBondContact O-N 3.04Å; M2360-K2362 VanDerWaalsContact O-N 3.08Å |
| 2361 | P | 44.1 | Very low | 45.6 | Very low | 98.8 Ų | 98.8 | 103.8 Ų | 103.8 | 64% | 0.642 | 59% | 0.592 | S | S | * | * | trans | -59.3 | 125.9 | 173.4 | 24 | -30.7 | 0 | 0 | 0 | 107.7 | A2359 S2363 | A2359-P2361 VanDerWaalsContact O-CD 3.3Å; A2359-P2361 WeakPolarHBondContact O-CD 3.27Å; A2359-P2361 VanDerWaalsContact O-N 3.14Å; P2361-S2363 VanDerWaalsContact C-N 3.27Å; P2361-S2363 WeakPolarHBondContact O-CA 3.43Å; P2361-S2363 PolarHBondContact O-N 3.15Å | ||
| 2362 | K | 37.2 | Very low | 44.7 | Very low | 207 Ų | 207 | 102.5 Ų | 102.5 | 90% | 0.9 | 60% | 0.598 | S | S | * | * | trans | -57.3 | 88.7 | 174.8 | -71.1 | 178.3 | -179.1 | 174.3 | 0 | 108.4 | M2360 S2364 | M2360-K2362 PolarHBondContact O-N 3.04Å; M2360-K2362 VanDerWaalsContact O-N 3.08Å; K2362-S2364 PolarHBondContact O-N 3.06Å | ||
| 2363 | S | 30.9 | Very low | 43.3 | Very low | 99 Ų | 99 | 106.4 Ų | 106.4 | 69% | 0.692 | 62% | 0.618 | S | S | * | * | trans | -64.8 | 114.8 | 175.8 | 49 | 0 | 0 | 0 | 0 | 106.4 | P2361 T2365 | P2361-S2363 VanDerWaalsContact C-N 3.27Å; P2361-S2363 WeakPolarHBondContact O-CA 3.43Å; P2361-S2363 PolarHBondContact O-N 3.15Å; S2363-T2365 PolarHBondContact O-N 3.23Å; S2363-T2365 PolarHBondContact O-OG1 3.02Å | ||
| 2364 | S | 27.4 | Very low | 41.7 | Very low | 114.2 Ų | 114.2 | 112 Ų | 112 | 80% | 0.799 | 64% | 0.635 | S | S | * | * | trans | -70.1 | 70 | 173.4 | 46.2 | 0 | 0 | 0 | 0 | 112.7 | K2362 S2366 | K2362-S2364 PolarHBondContact O-N 3.06Å; S2364-S2366 VanDerWaalsContact C-N 3.32Å; S2364-S2366 PolarHBondContact O-N 3.27Å; S2364-S2366 VanDerWaalsContact O-N 3.12Å | ||
| 2365 | T | 28.3 | Very low | 39.5 | Very low | 124 Ų | 124 | 123 Ų | 123 | 76% | 0.761 | 68% | 0.676 | S | S | * | * | trans | -76 | 84.9 | 147 | 44.7 | 0 | 0 | 0 | 0 | 107 | S2363 M2367 | S2363-T2365 PolarHBondContact O-N 3.23Å; S2363-T2365 PolarHBondContact O-OG1 3.02Å; T2365-M2367 PolarHBondContact O-N 3.06Å | ||
| 2366 | S | 25.7 | Very low | 37.7 | Very low | 101.2 Ų | 101.2 | 126.4 Ų | 126.4 | 71% | 0.708 | 70% | 0.698 | S | S | * | * | trans | -62.6 | 87.3 | 159.3 | 170.4 | 0 | 0 | 0 | 0 | 108 | S2364 K2368 | S2364-S2366 VanDerWaalsContact C-N 3.32Å; S2364-S2366 PolarHBondContact O-N 3.27Å; S2364-S2366 VanDerWaalsContact O-N 3.12Å; S2366-K2368 VanDerWaalsContact C-N 3.3Å; S2366-K2368 PolarHBondContact O-N 3.19Å; S2366-K2368 VanDerWaalsContact O-N 3.15Å | ||
| 2367 | M | 26.5 | Very low | 35.6 | Very low | 167.8 Ų | 167.8 | 136.1 Ų | 136.1 | 83% | 0.827 | 73% | 0.731 | S | S | * | * | trans | -73.4 | 101.5 | 159.5 | -68.2 | -135.7 | 87 | 0 | 0 | 106 | T2365 A2369 | T2365-M2367 PolarHBondContact O-N 3.06Å; M2367-A2369 PolarHBondContact O-N 3.17Å | ||
| 2368 | K | 28 | Very low | 33.5 | Very low | 182.4 Ų | 182.4 | 138.8 Ų | 138.8 | 79% | 0.793 | 75% | 0.751 | S | S | * | * | trans | -39.7 | 113.2 | 163 | -77.3 | 179 | 175.1 | 176.4 | 0 | 107.7 | S2366 V2370 | S2366-K2368 VanDerWaalsContact C-N 3.3Å; S2366-K2368 PolarHBondContact O-N 3.19Å; S2366-K2368 VanDerWaalsContact O-N 3.15Å; K2368-V2370 VanDerWaalsContact C-N 3.28Å; K2368-V2370 HydrophobicContact CB-CG2 3.93Å; K2368-V2370 PolarHBondContact O-N 3.05Å | ||
| 2369 | A | 25.9 | Very low | 31.5 | Very low | 97.8 Ų | 97.8 | 139.9 Ų | 139.9 | 81% | 0.808 | 76% | 0.761 | S | S | * | * | trans | -72 | 99.7 | 165.3 | 0 | 0 | 0 | 0 | 0 | 107.5 | M2367 P2371 | M2367-A2369 PolarHBondContact O-N 3.17Å; A2369-P2371 VanDerWaalsContact O-CD 3.25Å; A2369-P2371 WeakPolarHBondContact O-CD 3.37Å | ||
| 2370 | V | 28.5 | Very low | 30.1 | Very low | 121.4 Ų | 121.4 | 143 Ų | 143 | 74% | 0.736 | 77% | 0.772 | S | S | * | * | trans | -94.2 | 111.1 | 169.4 | 179.7 | 0 | 0 | 0 | 0 | 105.6 | K2368 G2372 | K2368-V2370 VanDerWaalsContact C-N 3.28Å; K2368-V2370 HydrophobicContact CB-CG2 3.93Å; K2368-V2370 PolarHBondContact O-N 3.05Å; V2370-G2372 PolarHBondContact O-N 3.24Å | ||
| 2371 | P | 29.2 | Very low | 28.6 | Very low | 123.2 Ų | 123.2 | 145.9 Ų | 145.9 | 80% | 0.8 | 79% | 0.79 | S | S | * | * | trans | -70.6 | 130.8 | -178.3 | 11.8 | -4.5 | 0 | 0 | 0 | 109.3 | A2369 | A2369-P2371 VanDerWaalsContact O-CD 3.25Å; A2369-P2371 WeakPolarHBondContact O-CD 3.37Å | ||
| 2372 | G | 27.3 | Very low | 27.9 | Very low | 69 Ų | 69 | 148.2 Ų | 148.2 | 71% | 0.711 | 80% | 0.795 | S | S | * | * | trans | 92.5 | 86.8 | 168 | 0 | 0 | 0 | 0 | 0 | 115.8 | V2370 | V2370-G2372 PolarHBondContact O-N 3.24Š| ||
| 2373 | K | 26.6 | Very low | 27.3 | Very low | 196.8 Ų | 196.8 | 145.7 Ų | 145.7 | 86% | 0.856 | 79% | 0.791 | S | S | * | * | trans | -161.7 | 111.6 | 138.6 | -93.3 | 162.1 | -175.9 | 178.4 | 0 | 110.9 | R2375 | K2373-R2375 PolarHBondContact O-N 2.97Å; K2373-R2375 VanDerWaalsContact O-N 3.1Å | ||
| 2374 | R | 27.2 | Very low | 27.3 | Very low | 252.8 Ų | 252.8 | 148.1 Ų | 148.1 | 95% | 0.954 | 80% | 0.795 | S | S | * | * | trans | -63.4 | 119.4 | 156.2 | -76.6 | 173.2 | 175.7 | 159.5 | -2.2 | 109.8 | ||||
| 2375 | R | 25.3 | Very low | 27.3 | Very low | 231.8 Ų | 231.8 | 148.2 Ų | 148.2 | 88% | 0.875 | 80% | 0.795 | S | S | * | * | trans | -107.2 | 130.2 | 164.7 | -85.1 | -173.8 | 173.4 | 175.5 | -1.8 | 108.4 | K2373 R2377 | K2373-R2375 PolarHBondContact O-N 2.97Å; K2373-R2375 VanDerWaalsContact O-N 3.1Å; R2375-R2377 PolarHBondContact O-N 2.92Å | ||
| 2376 | P | 30.1 | Very low | 27.1 | Very low | 121.4 Ų | 121.4 | 146.3 Ų | 146.3 | 79% | 0.788 | 80% | 0.801 | S | S | * | * | trans | -87 | 135 | 167.2 | 33.1 | -28.1 | 0 | 0 | 0 | 111.1 | S2378 | P2376-S2378 PolarHBondContact O-N 3.1Š| ||
| 2377 | R | 25.8 | Very low | 27.1 | Very low | 238.6 Ų | 238.6 | 145.1 Ų | 145.1 | 90% | 0.9 | 81% | 0.805 | S | S | * | * | trans | -69.1 | 129.4 | 166.6 | -87.4 | 175.1 | 172.4 | 172.4 | -3.6 | 111.2 | R2375 N2379 | R2375-R2377 PolarHBondContact O-N 2.92Å; R2377-N2379 PolarHBondContact O-N 2.92Å | ||
| 2378 | S | 26.4 | Very low | 27.1 | Very low | 107.2 Ų | 107.2 | 142.5 Ų | 142.5 | 75% | 0.75 | 80% | 0.803 | S | S | * | * | trans | -105.2 | 131.2 | 147.3 | 47.1 | 0 | 0 | 0 | 0 | 109.7 | P2376 V2380 | P2376-S2378 PolarHBondContact O-N 3.1Å; S2378-V2380 PolarHBondContact O-N 3.04Å | ||
| 2379 | N | 25 | Very low | 27 | Very low | 144 Ų | 144 | 138.8 Ų | 138.8 | 77% | 0.77 | 80% | 0.8 | S | S | * | * | trans | -41.2 | 127.4 | 155.9 | -74.7 | 1.5 | 0 | 0 | 0 | 111.4 | R2377 | R2377-N2379 PolarHBondContact O-N 2.92Š| ||
| 2380 | V | 29.7 | Very low | 27.1 | Very low | 129.2 Ų | 129.2 | 141.4 Ų | 141.4 | 78% | 0.783 | 80% | 0.8 | S | S | * | * | trans | -112.3 | 116.7 | 161 | 177.9 | 0 | 0 | 0 | 0 | 107.6 | S2378 I2382 | S2378-V2380 PolarHBondContact O-N 3.04Å; V2380-I2382 PolarHBondContact O-N 3.13Å | ||
| 2381 | D | 24.5 | Very low | 27.3 | Very low | 136.4 Ų | 136.4 | 144.4 Ų | 144.4 | 73% | 0.729 | 81% | 0.806 | S | S | * | * | trans | -72.4 | 128.7 | -164.7 | -64.2 | -50.3 | 0 | 0 | 0 | 110.6 | ||||
| 2382 | I | 30.2 | Very low | 27.4 | Very low | 147.2 Ų | 147.2 | 146.2 Ų | 146.2 | 76% | 0.755 | 81% | 0.808 | S | S | * | * | trans | -132.9 | 108.1 | 156.9 | -59.3 | 179 | 0 | 0 | 0 | 107.8 | V2380 I2384 | V2380-I2382 PolarHBondContact O-N 3.13Å; I2382-I2384 HydrophobicContact CG2-CG1 4.4Å; I2382-I2384 PolarHBondContact O-N 3.27Å; I2382-I2384 VanDerWaalsContact O-N 3.12Å | ||
| 2383 | D | 25.4 | Very low | 27.8 | Very low | 154.4 Ų | 154.4 | 150.7 Ų | 150.7 | 83% | 0.826 | 82% | 0.816 | S | S | * | * | trans | -69.7 | 108.7 | 178.2 | -83.2 | -35.8 | 0 | 0 | 0 | 110 | ||||
| 2384 | I | 30.4 | Very low | 28.3 | Very low | 149.4 Ų | 149.4 | 149.4 Ų | 149.4 | 77% | 0.766 | 81% | 0.813 | S | S | * | * | trans | -127.9 | 106.9 | 142.1 | -59.3 | 179.3 | 0 | 0 | 0 | 108.7 | I2382 G2386 | I2382-I2384 HydrophobicContact CG2-CG1 4.4Å; I2382-I2384 PolarHBondContact O-N 3.27Å; I2382-I2384 VanDerWaalsContact O-N 3.12Å; I2384-G2386 PolarHBondContact O-N 3.43Å | ||
| 2385 | S | 28.3 | Very low | 29.4 | Very low | 115.8 Ų | 115.8 | 140.8 Ų | 140.8 | 81% | 0.81 | 79% | 0.791 | S | S | * | * | trans | -51.5 | 131.6 | 167.6 | 61 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 2386 | G | 24 | Very low | 30.9 | Very low | 85.2 Ų | 85.2 | 135 Ų | 135 | 88% | 0.878 | 78% | 0.782 | S | S | * | * | trans | 6.2 | 111.2 | 154.4 | 0 | 0 | 0 | 0 | 0 | 115 | I2384 | I2384-G2386 PolarHBondContact O-N 3.43Š| ||
| 2387 | G | 24.8 | Very low | 32.7 | Very low | 76.2 Ų | 76.2 | 131.9 Ų | 131.9 | 79% | 0.786 | 76% | 0.762 | S | S | * | * | trans | -166 | 106.2 | 168.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 2388 | S | 25.8 | Very low | 34.9 | Very low | 112 Ų | 112 | 123.4 Ų | 123.4 | 78% | 0.783 | 74% | 0.736 | S | S | * | * | trans | 7.9 | 120.6 | 163.4 | 173.8 | 0 | 0 | 0 | 0 | 117.7 | D2390 | S2388-D2390 PolarHBondContact O-N 2.94Å; S2388-D2390 VanDerWaalsContact O-N 3.12Å | ||
| 2389 | S | 27 | Very low | 37.5 | Very low | 104.4 Ų | 104.4 | 120.6 Ų | 120.6 | 73% | 0.73 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -50.9 | 118.4 | 161.6 | 53 | 0 | 0 | 0 | 0 | 112.6 | ||
| 2390 | D | 28.1 | Very low | 40.2 | Very low | 153.8 Ų | 153.8 | 114.9 Ų | 114.9 | 82% | 0.822 | 68% | 0.679 | S | S | * | * | trans | -173.9 | 28.6 | 142.1 | -93.5 | -12.4 | 0 | 0 | 0 | 113.6 | S2388 L2392 | S2388-D2390 PolarHBondContact O-N 2.94Å; S2388-D2390 VanDerWaalsContact O-N 3.12Å; D2390-L2392 VanDerWaalsContact C-N 3.27Å; D2390-L2392 PolarHBondContact O-N 3.23Å | ||
| 2391 | E | 31.7 | Very low | 42.8 | Very low | 184.6 Ų | 184.6 | 109.6 Ų | 109.6 | 86% | 0.863 | 65% | 0.645 | S | S | * | * | trans | -75.9 | 90.9 | 171.1 | -65.5 | -164.3 | 159.3 | 0 | 0 | 112.4 | D2393 | E2391-D2393 PolarHBondContact O-N 2.94Š| ||
| 2392 | L | 31.5 | Very low | 45.6 | Very low | 159.8 Ų | 159.8 | 103.5 Ų | 103.5 | 84% | 0.837 | 61% | 0.614 | S | S | * | * | trans | -56.8 | 113.5 | 159.8 | -147.8 | 84.6 | 0 | 0 | 0 | 108.9 | D2390 Q2394 | D2390-L2392 VanDerWaalsContact C-N 3.27Å; D2390-L2392 PolarHBondContact O-N 3.23Å; L2392-Q2394 VanDerWaalsContact C-N 3.34Å; L2392-Q2394 PolarHBondContact O-N 3.22Å | ||
| 2393 | D | 35.6 | Very low | 48 | Very low | 163.2 Ų | 163.2 | 98.6 Ų | 98.6 | 87% | 0.873 | 59% | 0.589 | S | S | * | * | trans | -48.9 | 86.5 | 172.2 | -76.3 | -39 | 0 | 0 | 0 | 112.6 | E2391 S2395 | E2391-D2393 PolarHBondContact O-N 2.94Å; D2393-S2395 PolarHBondContact O-N 3.07Å; D2393-S2395 VanDerWaalsContact O-N 3.11Å | ||
| 2394 | Q | 37.7 | Very low | 50.6 | Low | 170.6 Ų | 170.6 | 92.8 Ų | 92.8 | 80% | 0.797 | 56% | 0.557 | S | S | * | * | trans | -82.1 | 99 | 165.6 | -69.8 | -176 | 30.6 | 0 | 0 | 106.3 | L2392 T2396 | L2392-Q2394 VanDerWaalsContact C-N 3.34Å; L2392-Q2394 PolarHBondContact O-N 3.22Å; Q2394-T2396 PolarHBondContact O-N 2.98Å; Q2394-T2396 VanDerWaalsContact O-N 3.07Å | ||
| 2395 | S | 49.3 | Very low | 52.8 | Low | 71.2 Ų | 71.2 | 89.1 Ų | 89.1 | 50% | 0.498 | 54% | 0.539 | S | S | . | . | trans | -54.7 | 112.9 | 174.9 | 58.6 | 0 | 0 | 0 | 0 | 108.8 | I2319 D2393 | I2319-S2395 WeakPolarHBondContact CD1-OG 3.35Å; D2393-S2395 PolarHBondContact O-N 3.07Å; D2393-S2395 VanDerWaalsContact O-N 3.11Å | ||
| 2396 | T | 58 | Low | 55.2 | Low | 111.2 Ų | 111.2 | 84.2 Ų | 84.2 | 68% | 0.682 | 50% | 0.504 | S | S | * | . | P | Polyproline II helix | trans | -56.2 | 134.1 | 176.5 | 42.4 | 0 | 0 | 0 | 0 | 109.4 | Q2394 V2398 | Q2394-T2396 PolarHBondContact O-N 2.98Å; Q2394-T2396 VanDerWaalsContact O-N 3.07Å; T2396-V2398 PolarHBondContact O-N 3.03Å |
| 2397 | P | 66.5 | Low | 58 | Low | 55.8 Ų | 55.8 | 80.2 Ų | 80.2 | 36% | 0.362 | 46% | 0.463 | S | S | . | . | P | Polyproline II helix | trans | -61.2 | 129.4 | 179.8 | 24.8 | -32.9 | 0 | 0 | 0 | 109.9 | Q2313 Y2399 | Q2313-P2397 HydrophobicContact CG-CB 4.4Å; P2397-Y2399 HydrophobicContact CB-CE2 4.04Å; P2397-Y2399 HydrophobicContact CG-CE2 3.86Å; P2397-Y2399 VanDerWaalsContact CG-OH 3.31Å; P2397-Y2399 WeakPolarHBondContact CG-OH 3.32Å; P2397-Y2399 VanDerWaalsContact O-CD2 3.26Å; P2397-Y2399 WeakPolarHBondContact O-CD2 3.29Å; P2397-Y2399 VanDerWaalsContact O-CE2 3.23Å; P2397-Y2399 WeakPolarHBondContact O-CE2 3.37Å |
| 2398 | V | 73.6 | Confident | 60.8 | Low | 60.4 Ų | 60.4 | 76.5 Ų | 76.5 | 37% | 0.366 | 43% | 0.425 | S | S | . | . | P | Polyproline II helix | trans | -88.7 | 133.9 | 176.1 | 176.5 | 0 | 0 | 0 | 0 | 108.4 | C2314 T2317 T2396 | C2314-V2398 HydrophobicContact CB-CB 4.18Å; C2314-V2398 HydrophobicContact CB-CG1 4.34Å; C2314-V2398 VanDerWaalsContact CB-O 3.24Å; C2314-V2398 WeakPolarHBondContact CB-O 3.36Å; C2314-V2398 PolarHBondContact N-O 3.21Å; T2317-V2398 HydrophobicContact CG2-CB 3.72Å; T2317-V2398 HydrophobicContact CG2-CG2 3.88Å; T2317-V2398 PolarHBondContact OG1-N 3.05Å; T2396-V2398 PolarHBondContact O-N 3.03Å |
| 2399 | Y | 80.5 | Confident | 63.5 | Low | 47 Ų | 47 | 71.8 Ų | 71.8 | 18% | 0.184 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 152.7 | 178.4 | -60.4 | -84.1 | 0 | 0 | 0 | 111.1 | S2255 L2258 P2260 L2311 V2312 Q2313 P2397 | S2255-Y2399 WeakPolarHBondContact CB-O 3.31Å; S2255-Y2399 PolarHBondContact OG-O 3.25Å; L2258-Y2399 VanDerWaalsContact O-CD2 3.28Å; L2258-Y2399 WeakPolarHBondContact O-CD2 3.35Å; P2260-Y2399 HydrophobicContact CG-CD1 4.2Å; P2260-Y2399 HydrophobicContact CG-CE1 3.54Å; P2260-Y2399 VanDerWaalsContact CG-CE1 3.49Å; L2311-Y2399 HydrophobicContact CD2-CG 4.43Å; L2311-Y2399 HydrophobicContact CG-CG 4.42Å; V2312-Y2399 CarbonylContact O-C 3.34Å; V2312-Y2399 VanDerWaalsContact O-CA 3.26Å; V2312-Y2399 WeakPolarHBondContact O-CA 3.41Å; Q2313-Y2399 HydrophobicContact CB-CD1 3.95Å; Q2313-Y2399 HydrophobicContact CB-CE1 3.82Å; Q2313-Y2399 HydrophobicContact CG-CD1 4.36Å; Q2313-Y2399 HydrophobicContact CG-CE1 4.06Å; P2397-Y2399 HydrophobicContact CB-CE2 4.04Å; P2397-Y2399 HydrophobicContact CG-CE2 3.86Å; P2397-Y2399 VanDerWaalsContact CG-OH 3.31Å; P2397-Y2399 WeakPolarHBondContact CG-OH 3.32Å; P2397-Y2399 VanDerWaalsContact O-CD2 3.26Å; P2397-Y2399 WeakPolarHBondContact O-CD2 3.29Å; P2397-Y2399 VanDerWaalsContact O-CE2 3.23Å; P2397-Y2399 WeakPolarHBondContact O-CE2 3.37Å |
| 2400 | H | 82.2 | Confident | 66 | Low | 26 Ų | 26 | 69.3 Ų | 69.3 | 12% | 0.12 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 145.4 | 176.9 | -59.7 | -52.5 | 0 | 0 | 0 | 110.2 | L2311 V2312 C2314 C2354 V2356 C2357 V2402 | L2311-H2400 CarbonylContact C-O 3.56Å; L2311-H2400 WeakPolarHBondContact CA-O 3.3Å; V2312-H2400 HydrophobicContact CG2-CB 4.37Å; V2312-H2400 WeakPolarHBondContact CG2-O 3.43Å; V2312-H2400 PolarHBondContact N-O 3.16Å; V2312-H2400 PolarHBondContact O-N 3.17Å; C2314-H2400 VanDerWaalsContact CB-NE2 3.33Å; C2314-H2400 WeakPolarHBondContact CB-NE2 3.37Å; C2314-H2400 PolarHBondContact SG-NE2 3.25Å; C2354-H2400 PolarHBondContact SG-CD2 3.17Å; C2354-H2400 VanDerWaalsContact SG-CD2 3.54Å; V2356-H2400 HydrophobicContact CB-CB 4.44Å; V2356-H2400 HydrophobicContact CG1-CB 4.27Å; V2356-H2400 HydrophobicContact CG2-CB 4.19Å; C2357-H2400 PolarHBondContact SG-NE2 3.1Å; C2357-H2400 VanDerWaalsContact SG-NE2 3.36Å; H2400-V2402 HydrophobicContact CB-CG1 4.23Å; H2400-V2402 HydrophobicContact CB-CG2 3.97Å |
| 2401 | L | 83.7 | Confident | 68.2 | Low | 16.25 Ų | 16.25 | 63.3 Ų | 63.3 | 9% | 0.085 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 130.2 | 163.7 | -71.9 | 171.2 | 0 | 0 | 0 | 108.1 | L2244 A2248 I2253 L2258 P2308 C2309 I2310 L2311 | L2244-L2401 HydrophobicContact CB-CD1 3.98Å; A2248-L2401 HydrophobicContact CB-CB 3.94Å; A2248-L2401 HydrophobicContact CB-CD1 4.18Å; I2253-L2401 HydrophobicContact CD1-CD1 4.27Å; L2258-L2401 HydrophobicContact CD1-CD1 4.08Å; L2258-L2401 HydrophobicContact CD1-CD2 4.4Å; L2258-L2401 HydrophobicContact CD1-CG 4.26Å; P2308-L2401 HydrophobicContact CB-CB 4.3Å; P2308-L2401 WeakPolarHBondContact CB-O 3.3Å; C2309-L2401 WeakPolarHBondContact O-CD2 3.25Å; I2310-L2401 CarbonylContact O-C 3.58Å; I2310-L2401 WeakPolarHBondContact O-CA 3.38Å; L2311-L2401 HydrophobicContact CB-CD2 4.03Å; L2311-L2401 HydrophobicContact CD1-CD2 4.1Å; L2311-L2401 HydrophobicContact CD1-CG 4.34Å |
| 2402 | V | 82.1 | Confident | 69.9 | Low | 10 Ų | 10 | 55.1 Ų | 55.1 | 6% | 0.061 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 159.1 | -175 | -142.2 | 0 | 0 | 0 | 0 | 111 | P2308 C2309 I2310 V2312 V2356 H2400 V2406 V2407 F2483 | P2308-V2402 WeakPolarHBondContact CA-O 3.35Å; P2308-V2402 VanDerWaalsContact CB-C 3.47Å; C2309-V2402 PolarHBondContact N-O 3.03Å; I2310-V2402 HydrophobicContact CB-CG2 4.46Å; I2310-V2402 PolarHBondContact N-O 3.03Å; I2310-V2402 VanDerWaalsContact N-O 3.12Å; I2310-V2402 PolarHBondContact O-N 3Å; V2312-V2402 HydrophobicContact CB-CG2 4.24Å; V2312-V2402 HydrophobicContact CG1-CG2 3.59Å; V2312-V2402 HydrophobicContact CG2-CB 4.25Å; V2312-V2402 HydrophobicContact CG2-CG1 3.58Å; V2312-V2402 HydrophobicContact CG2-CG2 3.43Å; V2312-V2402 VanDerWaalsContact CG2-CG2 3.42Å; V2356-V2402 HydrophobicContact CG2-CG1 4.07Å; V2356-V2402 HydrophobicContact CG2-CG2 4.09Å; H2400-V2402 HydrophobicContact CB-CG1 4.23Å; H2400-V2402 HydrophobicContact CB-CG2 3.97Å; V2402-V2406 HydrophobicContact CB-CG2 4.1Å; V2402-V2406 HydrophobicContact CG1-CB 4.42Å; V2402-V2406 HydrophobicContact CG1-CG2 3.07Å; V2402-V2406 HydrophobicContact CG2-CG2 3.95Å; V2402-V2407 HydrophobicContact CG1-CG2 4.41Å; V2402-V2407 HydrophobicContact CG2-CG2 3.4Å; V2402-F2483 HydrophobicContact CB-CD2 4.48Å; V2402-F2483 HydrophobicContact CB-CE2 4.43Å; V2402-F2483 HydrophobicContact CG1-CD2 4.14Å; V2402-F2483 HydrophobicContact CG1-CE2 3.83Å; V2402-F2483 HydrophobicContact CG1-CZ 3.97Å; V2402-F2483 HydrophobicContact CG2-CD2 4.3Å; V2402-F2483 HydrophobicContact CG2-CE2 3.96Å; V2402-F2483 HydrophobicContact CG2-CZ 4.12Å |
| 2403 | D | 82.4 | Confident | 71.3 | Confident | 43 Ų | 43 | 51.6 Ų | 51.6 | 23% | 0.23 | 28% | 0.284 | C | S | . | . | trans | -65.3 | 154.7 | 174.3 | -63.3 | -20.9 | 0 | 0 | 0 | 111.3 | P2308 D2405 V2406 V2407 R2479 | P2308-D2403 VanDerWaalsContact CA-OD1 3.27Å; P2308-D2403 WeakPolarHBondContact CA-OD1 3.17Å; P2308-D2403 WeakPolarHBondContact CB-OD1 3.23Å; D2403-D2405 VanDerWaalsContact C-N 3.29Å; D2403-D2405 WeakPolarHBondContact CB-OD1 3.2Å; D2403-D2405 PolarHBondContact O-N 3.04Å; D2403-V2406 HydrophobicContact CB-CG2 4.47Å; D2403-V2406 VanDerWaalsContact O-CG2 3.27Å; D2403-V2406 WeakPolarHBondContact O-CG2 3.4Å; D2403-V2407 WeakPolarHBondContact O-CG2 3.39Å; D2403-R2479 IonicContact OD2-CZ 2.97Å; D2403-R2479 IonicContact OD2-NH1 3.62Å; D2403-R2479 PolarHBondContact OD2-NH1 3.39Å; D2403-R2479 VanDerWaalsContact OD2-NH1 3.12Å; D2403-R2479 IonicContact OD2-NH2 2.8Å | ||
| 2404 | I | 79.3 | Confident | 72.2 | Confident | 33 Ų | 33 | 45.3 Ų | 45.3 | 17% | 0.169 | 25% | 0.251 | C | S | . | . | G | 310 helix | trans | -65.6 | -31.2 | -176.9 | -114.7 | 157.3 | 0 | 0 | 0 | 112.8 | A2303 I2310 V2406 V2407 L2503 | A2303-I2404 VanDerWaalsContact CA-CD1 3.44Å; A2303-I2404 HydrophobicContact CB-CD1 3.78Å; A2303-I2404 HydrophobicContact CB-CG1 4.09Å; A2303-I2404 WeakPolarHBondContact O-CD1 3.45Å; I2310-I2404 HydrophobicContact CD1-CB 4.26Å; I2310-I2404 HydrophobicContact CD1-CG1 3.84Å; I2310-I2404 HydrophobicContact CG1-CG1 4.17Å; I2404-V2406 VanDerWaalsContact C-N 3.3Å; I2404-V2406 PolarHBondContact O-N 2.89Å; I2404-V2407 PolarHBondContact O-N 3Å; I2404-L2503 HydrophobicContact CB-CD2 4.31Å; I2404-L2503 HydrophobicContact CD1-CD2 3.99Å; I2404-L2503 HydrophobicContact CD1-CG 4.1Å; I2404-L2503 HydrophobicContact CG1-CD2 3.83Å; I2404-L2503 HydrophobicContact CG1-CG 4.02Å; I2404-L2503 HydrophobicContact CG2-CD2 3.56Å; I2404-L2503 HydrophobicContact CG2-CG 4.28Å |
| 2405 | D | 76.5 | Confident | 72.6 | Confident | 70.75 Ų | 70.75 | 42.4 Ų | 42.4 | 38% | 0.378 | 24% | 0.24 | S | C | . | . | G | 310 helix | trans | -71.5 | -21.3 | -173 | 41.9 | -28.9 | 0 | 0 | 0 | 113.5 | D2403 R2479 R2481 | D2403-D2405 VanDerWaalsContact C-N 3.29Å; D2403-D2405 WeakPolarHBondContact CB-OD1 3.2Å; D2403-D2405 PolarHBondContact O-N 3.04Å; D2405-R2479 IonicContact OD1-NH1 3.01Å; D2405-R2479 PolarHBondContact OD1-NH1 2.88Å; D2405-R2479 WeakPolarHBondContact OD2-CD 3.39Å; D2405-R2479 IonicContact OD2-CZ 3.11Å; D2405-R2479 IonicContact OD2-NE 2.97Å; D2405-R2479 IonicContact OD2-NH1 3.29Å; D2405-R2479 PolarHBondContact OD2-NH1 2.83Å; D2405-R2481 VanDerWaalsContact O-CG 3.32Å; D2405-R2481 WeakPolarHBondContact O-CG 3.32Å |
| 2406 | V | 79.2 | Confident | 72.3 | Confident | 14.5 Ų | 14.5 | 43.5 Ų | 43.5 | 9% | 0.088 | 24% | 0.241 | C | C | . | . | G | 310 helix | trans | -100 | 11 | -180 | -61.2 | 0 | 0 | 0 | 0 | 113.6 | V2402 D2403 I2404 R2479 R2481 I2482 F2483 | V2402-V2406 HydrophobicContact CB-CG2 4.1Å; V2402-V2406 HydrophobicContact CG1-CB 4.42Å; V2402-V2406 HydrophobicContact CG1-CG2 3.07Å; V2402-V2406 HydrophobicContact CG2-CG2 3.95Å; D2403-V2406 HydrophobicContact CB-CG2 4.47Å; D2403-V2406 VanDerWaalsContact O-CG2 3.27Å; D2403-V2406 WeakPolarHBondContact O-CG2 3.4Å; I2404-V2406 VanDerWaalsContact C-N 3.3Å; I2404-V2406 PolarHBondContact O-N 2.89Å; V2406-R2479 HydrophobicContact CG1-CB 3.89Å; V2406-R2481 CarbonylContact O-C 3.52Å; V2406-R2481 VanDerWaalsContact O-CA 3.28Å; V2406-R2481 WeakPolarHBondContact O-CA 3.36Å; V2406-I2482 PolarHBondContact O-N 3.22Å; V2406-F2483 HydrophobicContact CB-CD2 4.33Å; V2406-F2483 HydrophobicContact CG2-CD2 4.1Å; V2406-F2483 HydrophobicContact CG2-CE2 4.35Å; V2406-F2483 PolarHBondContact O-N 3.19Å; V2406-F2483 VanDerWaalsContact O-N 3.16Å |
| 2407 | V | 82.8 | Confident | 71.5 | Confident | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 139.2 | -176.2 | -176.2 | 0 | 0 | 0 | 0 | 110.6 | I2310 V2312 V2402 D2403 I2404 F2483 L2485 L2503 P2504 | I2310-V2407 HydrophobicContact CB-CG2 4.49Å; I2310-V2407 HydrophobicContact CD1-CB 4.42Å; I2310-V2407 HydrophobicContact CD1-CG2 4.26Å; I2310-V2407 HydrophobicContact CG2-CG1 4.26Å; I2310-V2407 HydrophobicContact CG2-CG2 4.25Å; V2312-V2407 HydrophobicContact CG1-CG1 4.35Å; V2312-V2407 HydrophobicContact CG1-CG2 4.02Å; V2402-V2407 HydrophobicContact CG1-CG2 4.41Å; V2402-V2407 HydrophobicContact CG2-CG2 3.4Å; D2403-V2407 WeakPolarHBondContact O-CG2 3.39Å; I2404-V2407 PolarHBondContact O-N 3Å; V2407-F2483 WeakPolarHBondContact CA-O 3.39Å; V2407-F2483 HydrophobicContact CG2-CB 4.26Å; V2407-L2485 HydrophobicContact CG1-CD1 3.53Å; V2407-L2485 VanDerWaalsContact CG1-CD1 3.49Å; V2407-L2485 HydrophobicContact CG1-CD2 3.66Å; V2407-L2485 HydrophobicContact CG1-CG 3.34Å; V2407-L2503 HydrophobicContact CB-CD2 4.09Å; V2407-L2503 HydrophobicContact CG1-CD2 4.09Å; V2407-P2504 VanDerWaalsContact O-CG 3.26Å; V2407-P2504 WeakPolarHBondContact O-CG 3.38Å |
| 2408 | C | 83.8 | Confident | 70.1 | Confident | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 158.3 | 166.5 | 58.7 | 0 | 0 | 0 | 0 | 110.8 | R2481 F2483 V2484 L2485 T2506 | C2408-R2481 HydrophobicContact CB-CB 4.08Å; C2408-R2481 HydrophobicContact CB-CG 4.48Å; C2408-F2483 PolarHBondContact N-O 3.16Å; C2408-V2484 WeakPolarHBondContact O-CA 3.39Å; C2408-L2485 PolarHBondContact O-N 3.34Å; C2408-T2506 VanDerWaalsContact CB-O 3.24Å; C2408-T2506 WeakPolarHBondContact CB-O 3.41Å |
| 2409 | W | 82.3 | Confident | 68.3 | Low | 12.75 Ų | 12.75 | 46.2 Ų | 46.2 | 5% | 0.048 | 25% | 0.245 | C | C | . | . | S | Bend | trans | -64.1 | -53 | 171.2 | -179.2 | -98.1 | 0 | 0 | 0 | 111.2 | V2484 L2485 S2486 G2490 S2493 R2494 F2497 I2498 P2504 S2505 | W2409-V2484 VanDerWaalsContact O-CG1 3.29Å; W2409-V2484 WeakPolarHBondContact O-CG1 3.24Å; W2409-L2485 HydrophobicContact CE3-CB 3.76Å; W2409-L2485 HydrophobicContact CE3-CD1 4.3Å; W2409-L2485 HydrophobicContact CZ3-CB 3.99Å; W2409-L2485 PolarHBondContact O-N 3.05Å; W2409-S2486 VanDerWaalsContact O-CB 3.24Å; W2409-S2486 WeakPolarHBondContact O-CB 3.21Å; W2409-S2486 PolarHBondContact O-N 3.05Å; W2409-S2486 PolarHBondContact O-OG 3.13Å; W2409-S2486 VanDerWaalsContact O-OG 3.12Å; W2409-G2490 WeakPolarHBondContact CH2-O 3.28Å; W2409-S2493 WeakPolarHBondContact CH2-OG 3.37Å; W2409-R2494 HydrophobicContact CD2-CB 4.05Å; W2409-R2494 HydrophobicContact CD2-CG 3.79Å; W2409-R2494 VanDerWaalsContact CE2-CG 3.49Å; W2409-R2494 HydrophobicContact CE3-CB 4.39Å; W2409-R2494 HydrophobicContact CE3-CG 4.36Å; W2409-R2494 HydrophobicContact CG-CG 4.05Å; W2409-R2494 HydrophobicContact CH2-CB 3.9Å; W2409-R2494 HydrophobicContact CZ2-CB 3.46Å; W2409-R2494 VanDerWaalsContact CZ2-CB 3.46Å; W2409-R2494 HydrophobicContact CZ2-CG 4.03Å; W2409-R2494 HydrophobicContact CZ3-CB 4.36Å; W2409-F2497 HydrophobicContact CE3-CB 4.22Å; W2409-F2497 HydrophobicContact CE3-CD2 4.3Å; W2409-F2497 HydrophobicContact CE3-CG 4.48Å; W2409-F2497 HydrophobicContact CH2-CD2 4.45Å; W2409-F2497 HydrophobicContact CZ3-CB 4.34Å; W2409-F2497 AromaticContact CZ3-CD2 3.6Å; W2409-F2497 HydrophobicContact CZ3-CD2 3.6Å; W2409-F2497 HydrophobicContact CZ3-CE2 4.28Å; W2409-F2497 HydrophobicContact CZ3-CG 4.26Å; W2409-I2498 HydrophobicContact CB-CD1 3.97Å; W2409-I2498 HydrophobicContact CB-CG1 4.27Å; W2409-I2498 HydrophobicContact CG-CD1 4.07Å; W2409-P2504 PolarHBondContact N-O 3.2Å; W2409-S2505 WeakPolarHBondContact CB-O 3.32Å; W2409-S2505 PolarHBondContact N-O 3.11Å |
| 2410 | E | 78.7 | Confident | 65.8 | Low | 51 Ų | 51 | 50.4 Ų | 50.4 | 24% | 0.238 | 27% | 0.271 | C | S | . | . | S | Bend | trans | -131 | 126.6 | 179.4 | -173.3 | 171.2 | -161.6 | 0 | 0 | 110.6 | V2412 S2505 T2506 S2717 | E2410-V2412 PolarHBondContact O-N 2.81Å; E2410-S2505 PolarHBondContact N-O 3.11Å; E2410-S2505 VanDerWaalsContact N-O 3.1Å; E2410-T2506 WeakPolarHBondContact O-CA 3.23Å; E2410-S2717 VanDerWaalsContact OE1-CB 3.32Å; E2410-S2717 WeakPolarHBondContact OE1-CB 3.33Å; E2410-S2717 PolarHBondContact OE1-N 2.65Å; E2410-S2717 VanDerWaalsContact OE1-N 3.1Å; E2410-S2717 PolarHBondContact OE1-OG 3.16Å; E2410-S2717 WeakPolarHBondContact OE2-CB 3.18Å; E2410-S2717 PolarHBondContact OE2-OG 3.14Å |
| 2411 | S | 74.5 | Confident | 63.3 | Low | 28.5 Ų | 28.5 | 52.8 Ų | 52.8 | 20% | 0.199 | 29% | 0.291 | C | S | . | . | trans | -70.6 | 135.2 | 170.6 | 53.8 | 0 | 0 | 0 | 0 | 109.5 | V2413 V2484 | S2411-V2413 PolarHBondContact O-N 3.01Å; S2411-V2413 VanDerWaalsContact O-N 3.16Å; S2411-V2484 WeakPolarHBondContact OG-CG2 3.24Å | ||
| 2412 | V | 67.3 | Low | 60.7 | Low | 11.75 Ų | 11.75 | 61.1 Ų | 61.1 | 7% | 0.071 | 33% | 0.326 | C | S | . | . | trans | -73.1 | 118.2 | 170.7 | 173.2 | 0 | 0 | 0 | 0 | 109 | E2410 T2506 S2507 I2512 L2515 L2556 | E2410-V2412 PolarHBondContact O-N 2.81Å; V2412-T2506 HydrophobicContact CG2-CG2 4.26Å; V2412-S2507 PolarHBondContact N-OG 3.04Å; V2412-S2507 VanDerWaalsContact N-OG 3.12Å; V2412-I2512 HydrophobicContact CB-CG1 4.45Å; V2412-I2512 HydrophobicContact CG1-CG1 4.41Å; V2412-I2512 HydrophobicContact CG2-CD1 4.41Å; V2412-I2512 HydrophobicContact CG2-CG1 4.44Å; V2412-L2515 HydrophobicContact CG1-CD1 4.32Å; V2412-L2556 HydrophobicContact CB-CD1 4.31Å; V2412-L2556 HydrophobicContact CG1-CD1 3.34Å; V2412-L2556 VanDerWaalsContact CG1-CD1 3.43Å; V2412-L2556 HydrophobicContact CG1-CD2 3.14Å; V2412-L2556 HydrophobicContact CG1-CG 3.66Å; V2412-L2556 HydrophobicContact CG2-CD1 4Å | ||
| 2413 | V | 61 | Low | 58.2 | Low | 86.25 Ų | 86.25 | 69.7 Ų | 69.7 | 52% | 0.523 | 36% | 0.359 | S | S | . | . | trans | -116.4 | 121.5 | 172.4 | -175.3 | 0 | 0 | 0 | 0 | 106.9 | S2411 D2415 | S2411-V2413 PolarHBondContact O-N 3.01Å; S2411-V2413 VanDerWaalsContact O-N 3.16Å; V2413-D2415 PolarHBondContact O-N 3.11Å | ||
| 2414 | I | 53.8 | Low | 55.5 | Low | 31.5 Ų | 31.5 | 72.6 Ų | 72.6 | 16% | 0.162 | 38% | 0.383 | C | S | . | . | trans | -67.7 | 117.8 | 162.3 | -60.4 | 179.7 | 0 | 0 | 0 | 105.2 | N2416 L2419 L2515 L2556 | I2414-N2416 VanDerWaalsContact C-N 3.3Å; I2414-N2416 PolarHBondContact O-N 3.23Å; I2414-N2416 PolarHBondContact O-OD1 3.31Å; I2414-L2419 HydrophobicContact CB-CD1 4.43Å; I2414-L2419 HydrophobicContact CG2-CD1 4.24Å; I2414-L2515 HydrophobicContact CD1-CB 3.7Å; I2414-L2515 HydrophobicContact CD1-CD1 4.41Å; I2414-L2515 VanDerWaalsContact CD1-O 3.29Å; I2414-L2515 WeakPolarHBondContact CD1-O 3.43Å; I2414-L2515 HydrophobicContact CG1-CB 4.39Å; I2414-L2515 HydrophobicContact CG1-CD1 4.33Å; I2414-L2556 HydrophobicContact CG1-CD2 4.2Å | ||
| 2415 | D | 46.9 | Very low | 53 | Low | 108.75 Ų | 108.75 | 77.8 Ų | 77.8 | 58% | 0.582 | 41% | 0.411 | S | S | * | . | trans | -49.9 | 95.8 | -177.4 | -91.5 | -37 | 0 | 0 | 0 | 111.4 | V2413 N2417 L2418 | V2413-D2415 PolarHBondContact O-N 3.11Å; D2415-N2417 PolarHBondContact O-N 3.15Å; D2415-N2417 VanDerWaalsContact O-N 3.1Å; D2415-L2418 HydrophobicContact CB-CD1 4.24Å; D2415-L2418 WeakPolarHBondContact O-CB 3.26Å; D2415-L2418 PolarHBondContact O-N 3.09Å | ||
| 2416 | N | 42.6 | Very low | 50.6 | Low | 96 Ų | 96 | 81.5 Ų | 81.5 | 51% | 0.513 | 43% | 0.43 | S | S | . | . | G | 310 helix | trans | -67.7 | -10.9 | 173.1 | -80.4 | -11.1 | 0 | 0 | 0 | 111.4 | I2414 L2418 L2419 N2420 | I2414-N2416 VanDerWaalsContact C-N 3.3Å; I2414-N2416 PolarHBondContact O-N 3.23Å; I2414-N2416 PolarHBondContact O-OD1 3.31Å; N2416-L2418 PolarHBondContact O-N 3.15Å; N2416-L2419 HydrophobicContact CB-CD1 4.08Å; N2416-L2419 CarbonylContact O-C 3.58Å; N2416-L2419 WeakPolarHBondContact O-CA 3.31Å; N2416-L2419 VanDerWaalsContact O-CB 3.29Å; N2416-L2419 WeakPolarHBondContact O-CB 3.36Å; N2416-L2419 PolarHBondContact O-N 3.14Å; N2416-L2419 VanDerWaalsContact OD1-CD1 3.27Å; N2416-L2419 WeakPolarHBondContact OD1-CD1 3.37Å; N2416-N2420 PolarHBondContact O-N 3.4Å |
| 2417 | N | 41.2 | Very low | 48.1 | Very low | 139.5 Ų | 139.5 | 87.5 Ų | 87.5 | 75% | 0.746 | 46% | 0.462 | S | S | * | . | G | 310 helix | trans | -64.4 | -21.6 | 173.1 | -76.8 | -14.8 | 0 | 0 | 0 | 112.7 | D2415 L2419 | D2415-N2417 PolarHBondContact O-N 3.15Å; D2415-N2417 VanDerWaalsContact O-N 3.1Å; N2417-L2419 VanDerWaalsContact C-N 3.28Å; N2417-L2419 PolarHBondContact O-N 3.09Å |
| 2418 | L | 37.1 | Very low | 45.2 | Very low | 75.25 Ų | 75.25 | 93.5 Ų | 93.5 | 39% | 0.394 | 50% | 0.502 | S | S | . | . | G | 310 helix | trans | -75.3 | -13 | 168.1 | -83.1 | 159.7 | 0 | 0 | 0 | 113.1 | D2415 N2416 K2548 R2549 | D2415-L2418 HydrophobicContact CB-CD1 4.24Å; D2415-L2418 WeakPolarHBondContact O-CB 3.26Å; D2415-L2418 PolarHBondContact O-N 3.09Å; N2416-L2418 PolarHBondContact O-N 3.15Å; L2418-K2548 HydrophobicContact CD2-CD 3.86Å; L2418-R2549 PolarHBondContact O-NE 3.24Å; L2418-R2549 PolarHBondContact O-NH2 3.42Å |
| 2419 | L | 35.4 | Very low | 42.4 | Very low | 68.75 Ų | 68.75 | 98.2 Ų | 98.2 | 36% | 0.36 | 54% | 0.536 | S | S | . | . | G | 310 helix | trans | -95.4 | -11.9 | -178.5 | -80.7 | 152.9 | 0 | 0 | 0 | 114 | I2414 N2416 N2417 S2421 E2545 R2549 | I2414-L2419 HydrophobicContact CB-CD1 4.43Å; I2414-L2419 HydrophobicContact CG2-CD1 4.24Å; N2416-L2419 HydrophobicContact CB-CD1 4.08Å; N2416-L2419 CarbonylContact O-C 3.58Å; N2416-L2419 WeakPolarHBondContact O-CA 3.31Å; N2416-L2419 VanDerWaalsContact O-CB 3.29Å; N2416-L2419 WeakPolarHBondContact O-CB 3.36Å; N2416-L2419 PolarHBondContact O-N 3.14Å; N2416-L2419 VanDerWaalsContact OD1-CD1 3.27Å; N2416-L2419 WeakPolarHBondContact OD1-CD1 3.37Å; N2417-L2419 VanDerWaalsContact C-N 3.28Å; N2417-L2419 PolarHBondContact O-N 3.09Å; L2419-S2421 PolarHBondContact O-N 3.14Å; L2419-S2421 VanDerWaalsContact O-N 3.15Å; L2419-E2545 HydrophobicContact CD2-CG 4.4Å; L2419-E2545 VanDerWaalsContact CD2-OE2 3.22Å; L2419-E2545 WeakPolarHBondContact CD2-OE2 3.48Å; L2419-R2549 HydrophobicContact CD1-CG 4.23Å; L2419-R2549 VanDerWaalsContact CD1-NE 3.29Å; L2419-R2549 VanDerWaalsContact CD2-NH2 3.26Å; L2419-R2549 VanDerWaalsContact CG-NH2 3.3Å; L2419-R2549 PolarHBondContact O-NH2 3.25Å |
| 2420 | N | 29.4 | Very low | 39.6 | Very low | 135 Ų | 135 | 102.5 Ų | 102.5 | 72% | 0.722 | 57% | 0.568 | S | S | * | * | trans | -79.5 | 41.4 | -178.9 | -107.1 | -3.9 | 0 | 0 | 0 | 113.4 | N2416 K2422 | N2416-N2420 PolarHBondContact O-N 3.4Å; N2420-K2422 VanDerWaalsContact C-N 3.3Å; N2420-K2422 PolarHBondContact O-N 3Å | ||
| 2421 | S | 29.9 | Very low | 37.1 | Very low | 76.25 Ų | 76.25 | 107.5 Ų | 107.5 | 53% | 0.533 | 60% | 0.596 | S | S | . | * | trans | -85.3 | 79.4 | 161.8 | 68.3 | 0 | 0 | 0 | 0 | 109.6 | L2419 Y2423 | L2419-S2421 PolarHBondContact O-N 3.14Å; L2419-S2421 VanDerWaalsContact O-N 3.15Å; S2421-Y2423 PolarHBondContact O-N 3.03Å | ||
| 2422 | K | 28.2 | Very low | 34.8 | Very low | 191.25 Ų | 191.25 | 114.6 Ų | 114.6 | 83% | 0.832 | 63% | 0.631 | S | S | * | * | trans | -56.2 | 63.2 | 173.6 | -90.8 | 175.5 | 179.5 | 175.7 | 0 | 113.1 | N2420 S2424 | N2420-K2422 VanDerWaalsContact C-N 3.3Å; N2420-K2422 PolarHBondContact O-N 3Å; K2422-S2424 PolarHBondContact O-N 2.83Å | ||
| 2423 | Y | 29.6 | Very low | 32.8 | Very low | 190.25 Ų | 190.25 | 117.4 Ų | 117.4 | 75% | 0.746 | 66% | 0.662 | S | S | * | * | trans | -112.4 | 56.2 | 160.6 | -72.9 | -75.6 | 0 | 0 | 0 | 109.9 | S2421 N2425 | S2421-Y2423 PolarHBondContact O-N 3.03Å; Y2423-N2425 VanDerWaalsContact C-N 3.32Å; Y2423-N2425 PolarHBondContact O-N 2.6Å; Y2423-N2425 VanDerWaalsContact O-N 3.11Å | ||
| 2424 | S | 26.2 | Very low | 31 | Very low | 104.25 Ų | 104.25 | 120.3 Ų | 120.3 | 73% | 0.729 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -99 | 70.5 | 168 | -61.4 | 0 | 0 | 0 | 0 | 110.5 | K2422 D2426 | K2422-S2424 PolarHBondContact O-N 2.83Å; S2424-D2426 PolarHBondContact O-N 3.24Å; S2424-D2426 VanDerWaalsContact O-N 3.09Å |
| 2425 | N | 26.2 | Very low | 29.6 | Very low | 142 Ų | 142 | 125.7 Ų | 125.7 | 76% | 0.759 | 70% | 0.703 | S | S | * | * | trans | -99.2 | 71.8 | 165.5 | -129.2 | 11.3 | 0 | 0 | 0 | 111.6 | Y2423 N2427 | Y2423-N2425 VanDerWaalsContact C-N 3.32Å; Y2423-N2425 PolarHBondContact O-N 2.6Å; Y2423-N2425 VanDerWaalsContact O-N 3.11Å; N2425-N2427 VanDerWaalsContact C-N 3.33Å; N2425-N2427 PolarHBondContact O-N 3.03Å | ||
| 2426 | D | 26.3 | Very low | 28.6 | Very low | 147.75 Ų | 147.75 | 127.6 Ų | 127.6 | 79% | 0.79 | 71% | 0.714 | S | S | * | * | trans | -83.7 | 87.4 | 161.1 | -82.7 | -26.1 | 0 | 0 | 0 | 107.9 | S2424 C2428 | S2424-D2426 PolarHBondContact O-N 3.24Å; S2424-D2426 VanDerWaalsContact O-N 3.09Å; D2426-C2428 VanDerWaalsContact C-N 3.31Å; D2426-C2428 PolarHBondContact O-N 2.98Å; D2426-C2428 VanDerWaalsContact O-N 3.15Å | ||
| 2427 | N | 26.1 | Very low | 27.8 | Very low | 140.25 Ų | 140.25 | 128.3 Ų | 128.3 | 75% | 0.75 | 73% | 0.726 | S | S | * | * | trans | -69.1 | 93.4 | 162.1 | -88 | -18.4 | 0 | 0 | 0 | 107.8 | N2425 S2429 | N2425-N2427 VanDerWaalsContact C-N 3.33Å; N2425-N2427 PolarHBondContact O-N 3.03Å; N2427-S2429 PolarHBondContact O-N 3.27Å; N2427-S2429 PolarHBondContact O-OG 3.24Å | ||
| 2428 | C | 22.9 | Very low | 27.1 | Very low | 126.25 Ų | 126.25 | 127.4 Ų | 127.4 | 85% | 0.853 | 73% | 0.725 | S | S | * | * | trans | -65.5 | 78.9 | 155.7 | -105.9 | 0 | 0 | 0 | 0 | 110.8 | D2426 S2430 | D2426-C2428 VanDerWaalsContact C-N 3.31Å; D2426-C2428 PolarHBondContact O-N 2.98Å; D2426-C2428 VanDerWaalsContact O-N 3.15Å; C2428-S2430 VanDerWaalsContact C-N 3.3Å; C2428-S2430 PolarHBondContact O-N 3.02Å; C2428-S2430 VanDerWaalsContact O-N 3.15Å | ||
| 2429 | S | 24.4 | Very low | 26.6 | Very low | 99.75 Ų | 99.75 | 131.9 Ų | 131.9 | 70% | 0.698 | 74% | 0.744 | S | S | * | * | trans | -82.5 | 93.3 | 148.9 | 55.6 | 0 | 0 | 0 | 0 | 109.2 | N2427 D2431 | N2427-S2429 PolarHBondContact O-N 3.27Å; N2427-S2429 PolarHBondContact O-OG 3.24Å; S2429-D2431 VanDerWaalsContact C-N 3.34Å; S2429-D2431 PolarHBondContact O-N 3.04Å; S2429-D2431 VanDerWaalsContact O-N 3.09Å | ||
| 2430 | S | 25 | Very low | 26.2 | Very low | 103.25 Ų | 103.25 | 135.1 Ų | 135.1 | 72% | 0.722 | 76% | 0.761 | S | S | * | * | trans | -57.6 | 97.1 | 156.2 | 55.2 | 0 | 0 | 0 | 0 | 110.2 | C2428 L2432 | C2428-S2430 VanDerWaalsContact C-N 3.3Å; C2428-S2430 PolarHBondContact O-N 3.02Å; C2428-S2430 VanDerWaalsContact O-N 3.15Å; S2430-L2432 PolarHBondContact O-N 3.29Å | ||
| 2431 | D | 24.6 | Very low | 26.1 | Very low | 154.75 Ų | 154.75 | 133.9 Ų | 133.9 | 83% | 0.828 | 76% | 0.759 | S | S | * | * | trans | -170.6 | 90.2 | 149.8 | -80.2 | -24.1 | 0 | 0 | 0 | 110.2 | S2429 G2433 | S2429-D2431 VanDerWaalsContact C-N 3.34Å; S2429-D2431 PolarHBondContact O-N 3.04Å; S2429-D2431 VanDerWaalsContact O-N 3.09Å; D2431-G2433 PolarHBondContact O-N 3.15Å | ||
| 2432 | L | 27.4 | Very low | 26 | Very low | 178.75 Ų | 178.75 | 139.2 Ų | 139.2 | 94% | 0.936 | 78% | 0.776 | S | S | * | * | trans | -123.2 | 96.9 | 153.9 | -125.2 | 76.8 | 0 | 0 | 0 | 107.8 | S2430 N2434 | S2430-L2432 PolarHBondContact O-N 3.29Å; L2432-N2434 PolarHBondContact O-N 3.09Å | ||
| 2433 | G | 24.4 | Very low | 26.1 | Very low | 69.5 Ų | 69.5 | 136.4 Ų | 136.4 | 72% | 0.716 | 77% | 0.77 | S | S | * | * | trans | -63.9 | 99 | 160.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | D2431 N2435 | D2431-G2433 PolarHBondContact O-N 3.15Å; G2433-N2435 PolarHBondContact O-N 2.97Å | ||
| 2434 | N | 23 | Very low | 26.3 | Very low | 148.25 Ų | 148.25 | 133.5 Ų | 133.5 | 79% | 0.793 | 77% | 0.771 | S | S | * | * | trans | -3.9 | 103.8 | 152.4 | -147.9 | 18.2 | 0 | 0 | 0 | 114.3 | L2432 | L2432-N2434 PolarHBondContact O-N 3.09Š| ||
| 2435 | N | 24.6 | Very low | 26.6 | Very low | 144.25 Ų | 144.25 | 137 Ų | 137 | 77% | 0.771 | 78% | 0.776 | S | S | * | * | trans | -171.3 | 116.8 | 142.2 | -81.4 | -30.1 | 0 | 0 | 0 | 111.1 | G2433 S2437 | G2433-N2435 PolarHBondContact O-N 2.97Å; N2435-S2437 PolarHBondContact O-N 2.88Å | ||
| 2436 | N | 26.7 | Very low | 27 | Very low | 149.25 Ų | 149.25 | 138 Ų | 138 | 80% | 0.798 | 78% | 0.776 | S | S | * | * | trans | 23.7 | 105.8 | 157.9 | -62.7 | -22.1 | 0 | 0 | 0 | 117 | V2438 | N2436-V2438 PolarHBondContact O-N 2.89Å; N2436-V2438 VanDerWaalsContact O-N 3.12Å | ||
| 2437 | S | 24.6 | Very low | 27.5 | Very low | 108.75 Ų | 108.75 | 136.6 Ų | 136.6 | 76% | 0.76 | 77% | 0.769 | S | S | * | * | trans | 25.4 | 98 | 132.2 | 179.9 | 0 | 0 | 0 | 0 | 114 | N2435 H2439 | N2435-S2437 PolarHBondContact O-N 2.88Å; S2437-H2439 PolarHBondContact O-N 3.28Å; S2437-H2439 VanDerWaalsContact O-N 3.14Å | ||
| 2438 | V | 27.9 | Very low | 28.2 | Very low | 122.25 Ų | 122.25 | 133.8 Ų | 133.8 | 74% | 0.741 | 76% | 0.757 | S | S | * | * | trans | -124.3 | 114.1 | 145.7 | 172.9 | 0 | 0 | 0 | 0 | 107.6 | N2436 N2440 | N2436-V2438 PolarHBondContact O-N 2.89Å; N2436-V2438 VanDerWaalsContact O-N 3.12Å; V2438-N2440 VanDerWaalsContact C-N 3.34Å; V2438-N2440 PolarHBondContact O-N 2.99Å | ||
| 2439 | H | 25.5 | Very low | 29 | Very low | 168.25 Ų | 168.25 | 130.1 Ų | 130.1 | 78% | 0.779 | 74% | 0.74 | S | S | * | * | trans | -54.7 | 97 | 163.1 | -83.5 | -63.3 | 0 | 0 | 0 | 113.3 | S2437 T2441 | S2437-H2439 PolarHBondContact O-N 3.28Å; S2437-H2439 VanDerWaalsContact O-N 3.14Å; H2439-T2441 PolarHBondContact O-N 3.14Å | ||
| 2440 | N | 27.5 | Very low | 30 | Very low | 136.5 Ų | 136.5 | 130.7 Ų | 130.7 | 73% | 0.73 | 73% | 0.732 | S | S | * | * | trans | -57.5 | 108.8 | 153.9 | -67.6 | -16.6 | 0 | 0 | 0 | 109.3 | V2438 E2442 | V2438-N2440 VanDerWaalsContact C-N 3.34Å; V2438-N2440 PolarHBondContact O-N 2.99Å; N2440-E2442 PolarHBondContact O-N 3.49Å | ||
| 2441 | T | 26.8 | Very low | 31.1 | Very low | 110.5 Ų | 110.5 | 129.6 Ų | 129.6 | 68% | 0.678 | 71% | 0.712 | S | S | * | * | trans | -38.3 | 106.7 | 144.8 | 42.7 | 0 | 0 | 0 | 0 | 109.7 | H2439 D2443 | H2439-T2441 PolarHBondContact O-N 3.14Å; T2441-D2443 WeakPolarHBondContact CB-OD2 3.39Å; T2441-D2443 PolarHBondContact O-N 3.2Å; T2441-D2443 PolarHBondContact OG1-OD2 3.14Å | ||
| 2442 | E | 27.8 | Very low | 32.2 | Very low | 188 Ų | 188 | 125.6 Ų | 125.6 | 88% | 0.879 | 69% | 0.688 | S | S | * | * | trans | -62.1 | 92.3 | 147.3 | -68.3 | 175.6 | 179.8 | 0 | 0 | 108.8 | N2440 V2444 | N2440-E2442 PolarHBondContact O-N 3.49Å; E2442-V2444 PolarHBondContact O-N 3.09Å | ||
| 2443 | D | 30.5 | Very low | 33.4 | Very low | 132.25 Ų | 132.25 | 120.9 Ų | 120.9 | 71% | 0.707 | 66% | 0.664 | S | S | * | * | trans | -65 | 94.5 | 171.1 | -69.2 | -37.4 | 0 | 0 | 0 | 110.7 | T2441 E2445 | T2441-D2443 WeakPolarHBondContact CB-OD2 3.39Å; T2441-D2443 PolarHBondContact O-N 3.2Å; T2441-D2443 PolarHBondContact OG1-OD2 3.14Å; D2443-E2445 PolarHBondContact O-N 2.88Å | ||
| 2444 | V | 33.7 | Very low | 34.7 | Very low | 128 Ų | 128 | 119.2 Ų | 119.2 | 78% | 0.776 | 64% | 0.638 | S | S | * | * | trans | -35.7 | 74.4 | 155.5 | -167.3 | 0 | 0 | 0 | 0 | 110.6 | E2442 E2446 | E2442-V2444 PolarHBondContact O-N 3.09Å; V2444-E2446 HydrophobicContact CG1-CB 4.32Å; V2444-E2446 HydrophobicContact CG1-CG 4.32Å; V2444-E2446 PolarHBondContact O-N 3.34Å; V2444-E2446 VanDerWaalsContact O-N 3.11Å | ||
| 2445 | E | 32.6 | Very low | 36.3 | Very low | 179.5 Ų | 179.5 | 114.6 Ų | 114.6 | 84% | 0.839 | 61% | 0.612 | S | S | * | * | trans | -85.8 | 69.6 | 160.3 | -73.6 | -165.1 | 164.8 | 0 | 0 | 108.3 | D2443 D2447 | D2443-E2445 PolarHBondContact O-N 2.88Å; E2445-D2447 PolarHBondContact O-N 3.26Å | ||
| 2446 | E | 33.9 | Very low | 38 | Very low | 161 Ų | 161 | 108.6 Ų | 108.6 | 75% | 0.752 | 58% | 0.58 | S | S | * | * | trans | -95.2 | 119.6 | 165 | -97.3 | -176.2 | 163.1 | 0 | 0 | 107.9 | V2444 T2448 | V2444-E2446 HydrophobicContact CG1-CB 4.32Å; V2444-E2446 HydrophobicContact CG1-CG 4.32Å; V2444-E2446 PolarHBondContact O-N 3.34Å; V2444-E2446 VanDerWaalsContact O-N 3.11Å; E2446-T2448 HydrophobicContact CB-CG2 4.29Å; E2446-T2448 WeakPolarHBondContact O-CG2 3.48Å; E2446-T2448 PolarHBondContact O-N 2.9Å; E2446-T2448 PolarHBondContact O-OG1 3.12Å | ||
| 2447 | D | 37.9 | Very low | 39.6 | Very low | 118.75 Ų | 118.75 | 103.9 Ų | 103.9 | 64% | 0.635 | 56% | 0.555 | S | S | * | * | S | Bend | trans | -28.6 | 27.7 | 167.9 | -81.9 | -25.6 | 0 | 0 | 0 | 117.1 | E2445 G2449 E2450 Y2451 | E2445-D2447 PolarHBondContact O-N 3.26Å; D2447-G2449 VanDerWaalsContact C-N 3.27Å; D2447-G2449 PolarHBondContact O-N 2.97Å; D2447-G2449 VanDerWaalsContact O-N 3.12Å; D2447-E2450 HydrophobicContact CB-CB 4.39Å; D2447-E2450 HydrophobicContact CB-CG 4.17Å; D2447-E2450 PolarHBondContact O-N 2.84Å; D2447-Y2451 VanDerWaalsContact C-CE2 3.44Å; D2447-Y2451 HydrophobicContact CB-CD2 4.41Å; D2447-Y2451 HydrophobicContact CB-CE2 3.43Å; D2447-Y2451 VanDerWaalsContact CB-CE2 3.43Å; D2447-Y2451 WeakPolarHBondContact O-CD2 3.08Å; D2447-Y2451 WeakPolarHBondContact O-CE2 3.31Å |
| 2448 | T | 39.6 | Very low | 41.2 | Very low | 82.25 Ų | 82.25 | 99.5 Ų | 99.5 | 51% | 0.505 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -67.8 | -9.8 | 169.5 | 41.9 | 0 | 0 | 0 | 0 | 113.9 | E2446 E2450 Y2451 F2452 | E2446-T2448 HydrophobicContact CB-CG2 4.29Å; E2446-T2448 WeakPolarHBondContact O-CG2 3.48Å; E2446-T2448 PolarHBondContact O-N 2.9Å; E2446-T2448 PolarHBondContact O-OG1 3.12Å; T2448-E2450 VanDerWaalsContact C-N 3.27Å; T2448-E2450 PolarHBondContact O-N 3.09Å; T2448-Y2451 HydrophobicContact CG2-CE2 4.22Å; T2448-F2452 WeakPolarHBondContact O-CZ 3.19Å |
| 2449 | G | 40.9 | Very low | 42.5 | Very low | 48 Ų | 48 | 95 Ų | 95 | 50% | 0.495 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -72.6 | -22.8 | 178 | 0 | 0 | 0 | 0 | 0 | 114.3 | D2447 F2452 | D2447-G2449 VanDerWaalsContact C-N 3.27Å; D2447-G2449 PolarHBondContact O-N 2.97Å; D2447-G2449 VanDerWaalsContact O-N 3.12Å; G2449-F2452 WeakPolarHBondContact O-CD2 3.25Å |
| 2450 | E | 45.5 | Very low | 43.5 | Very low | 111.75 Ų | 111.75 | 90.2 Ų | 90.2 | 52% | 0.522 | 48% | 0.476 | S | S | . | . | S | Bend | trans | -95.3 | -12.1 | -174.5 | -68.1 | -165.9 | 160.8 | 0 | 0 | 115.6 | D2447 T2448 F2452 I2969 | D2447-E2450 HydrophobicContact CB-CB 4.39Å; D2447-E2450 HydrophobicContact CB-CG 4.17Å; D2447-E2450 PolarHBondContact O-N 2.84Å; T2448-E2450 VanDerWaalsContact C-N 3.27Å; T2448-E2450 PolarHBondContact O-N 3.09Å; E2450-F2452 PolarHBondContact O-N 3.14Å; E2450-F2452 VanDerWaalsContact O-N 3.15Å; E2450-I2969 VanDerWaalsContact CA-CD1 3.5Å; E2450-I2969 HydrophobicContact CB-CD1 3.83Å; E2450-I2969 VanDerWaalsContact CB-CD1 3.46Å; E2450-I2969 HydrophobicContact CG-CD1 3.88Å; E2450-I2969 HydrophobicContact CG-CG2 4.37Å; E2450-I2969 WeakPolarHBondContact O-CD1 3.31Å; E2450-I2969 WeakPolarHBondContact OE1-CG2 3.22Å |
| 2451 | Y | 48.3 | Very low | 44 | Very low | 81.5 Ų | 81.5 | 85.6 Ų | 85.6 | 32% | 0.32 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -78.1 | -13.8 | -176.3 | -67.6 | -74.9 | 0 | 0 | 0 | 115.7 | D2447 T2448 N2453 Q2455 K2541 Y2544 P2966 I2969 | D2447-Y2451 VanDerWaalsContact C-CE2 3.44Å; D2447-Y2451 HydrophobicContact CB-CD2 4.41Å; D2447-Y2451 HydrophobicContact CB-CE2 3.43Å; D2447-Y2451 VanDerWaalsContact CB-CE2 3.43Å; D2447-Y2451 WeakPolarHBondContact O-CD2 3.08Å; D2447-Y2451 WeakPolarHBondContact O-CE2 3.31Å; T2448-Y2451 HydrophobicContact CG2-CE2 4.22Å; Y2451-N2453 PolarHBondContact O-N 2.71Å; Y2451-Q2455 WeakPolarHBondContact O-CG 3.03Å; Y2451-Q2455 PolarHBondContact O-NE2 3.27Å; Y2451-Q2455 VanDerWaalsContact O-NE2 3.1Å; Y2451-K2541 HydrophobicContact CE1-CG 4.47Å; Y2451-Y2544 AromaticContact CD1-CD1 3.61Å; Y2451-Y2544 HydrophobicContact CD1-CD1 3.61Å; Y2451-Y2544 AromaticContact CD1-CD2 3.9Å; Y2451-Y2544 HydrophobicContact CD1-CD2 3.9Å; Y2451-Y2544 HydrophobicContact CD1-CE1 4.14Å; Y2451-Y2544 HydrophobicContact CD1-CE2 4.28Å; Y2451-Y2544 AromaticContact CD1-CG 3.46Å; Y2451-Y2544 HydrophobicContact CD1-CG 3.46Å; Y2451-Y2544 VanDerWaalsContact CD1-CG 3.46Å; Y2451-Y2544 HydrophobicContact CD2-CE2 4.31Å; Y2451-Y2544 AromaticContact CE1-CD1 3.36Å; Y2451-Y2544 HydrophobicContact CE1-CD1 3.36Å; Y2451-Y2544 HydrophobicContact CE1-CD2 4.43Å; Y2451-Y2544 AromaticContact CE1-CE1 3.69Å; Y2451-Y2544 HydrophobicContact CE1-CE1 4.03Å; Y2451-Y2544 AromaticContact CE1-CG 3.76Å; Y2451-Y2544 HydrophobicContact CE1-CG 3.76Å; Y2451-Y2544 AromaticContact CG-CE2 3.85Å; Y2451-Y2544 HydrophobicContact CG-CE2 3.85Å; Y2451-P2966 VanDerWaalsContact CD1-CA 3.48Å; Y2451-P2966 HydrophobicContact CD1-CB 3.86Å; Y2451-P2966 HydrophobicContact CE1-CB 3.88Å; Y2451-I2969 HydrophobicContact CD1-CB 4.04Å; Y2451-I2969 HydrophobicContact CD1-CD1 3.27Å; Y2451-I2969 HydrophobicContact CD1-CG1 4.26Å; Y2451-I2969 HydrophobicContact CD1-CG2 4.29Å; Y2451-I2969 HydrophobicContact CE1-CB 3.88Å; Y2451-I2969 HydrophobicContact CE1-CD1 3.91Å; Y2451-I2969 HydrophobicContact CE1-CG2 3.74Å; Y2451-I2969 HydrophobicContact CG-CD1 3.92Å |
| 2452 | F | 48 | Very low | 44.4 | Very low | 71.25 Ų | 71.25 | 85.8 Ų | 85.8 | 31% | 0.313 | 46% | 0.455 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.5 | -21 | -166.5 | -88.8 | -75.5 | 0 | 0 | 0 | 114.9 | T2448 G2449 E2450 D2454 Q2455 C2456 A2540 L2543 Y2544 N2547 | T2448-F2452 WeakPolarHBondContact O-CZ 3.19Å; G2449-F2452 WeakPolarHBondContact O-CD2 3.25Å; E2450-F2452 PolarHBondContact O-N 3.14Å; E2450-F2452 VanDerWaalsContact O-N 3.15Å; F2452-D2454 PolarHBondContact O-N 2.78Å; F2452-D2454 VanDerWaalsContact O-N 3.16Å; F2452-Q2455 PolarHBondContact O-N 2.59Å; F2452-C2456 HydrophobicContact CD1-CB 3.61Å; F2452-C2456 HydrophobicContact CE1-CB 3.24Å; F2452-C2456 HydrophobicContact CZ-CB 4.05Å; F2452-C2456 PolarHBondContact O-N 3.46Å; F2452-C2456 VanDerWaalsContact O-N 3.08Å; F2452-A2540 HydrophobicContact CD1-CB 3.86Å; F2452-A2540 HydrophobicContact CE1-CB 3.86Å; F2452-A2540 HydrophobicContact CG-CB 4.37Å; F2452-A2540 HydrophobicContact CZ-CB 4.33Å; F2452-L2543 HydrophobicContact CD1-CD2 4.11Å; F2452-L2543 HydrophobicContact CD1-CG 4.49Å; F2452-L2543 HydrophobicContact CE1-CB 3.79Å; F2452-L2543 HydrophobicContact CE1-CD2 3.38Å; F2452-L2543 HydrophobicContact CE1-CG 3.45Å; F2452-L2543 VanDerWaalsContact CE1-CG 3.45Å; F2452-L2543 HydrophobicContact CZ-CB 3.95Å; F2452-L2543 HydrophobicContact CZ-CD2 4.22Å; F2452-L2543 HydrophobicContact CZ-CG 3.77Å; F2452-Y2544 HydrophobicContact CD2-CD2 4.15Å; F2452-Y2544 HydrophobicContact CE2-CD2 4.07Å; F2452-N2547 HydrophobicContact CE2-CB 4.49Å; F2452-N2547 WeakPolarHBondContact CE2-ND2 3.13Å; F2452-N2547 HydrophobicContact CZ-CB 4.44Å; F2452-N2547 WeakPolarHBondContact CZ-ND2 3.44Å |
| 2453 | N | 50.8 | Low | 44.7 | Very low | 79.75 Ų | 79.75 | 81.3 Ų | 81.3 | 43% | 0.426 | 44% | 0.441 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84 | -19.9 | -167 | -71.2 | -28 | 0 | 0 | 0 | 115.1 | Y2451 Q2455 R2672 F2945 | Y2451-N2453 PolarHBondContact O-N 2.71Å; N2453-Q2455 PolarHBondContact O-N 3.33Å; N2453-R2672 PolarHBondContact O-NH2 3.19Å; N2453-F2945 HydrophobicContact CB-CE1 4.35Å; N2453-F2945 HydrophobicContact CB-CZ 4.23Å |
| 2454 | D | 52.1 | Low | 44.8 | Very low | 33.75 Ų | 33.75 | 79.6 Ų | 79.6 | 18% | 0.18 | 44% | 0.439 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.5 | 13.4 | 177.9 | -72.7 | -22.8 | 0 | 0 | 0 | 112.2 | F2452 C2456 W2665 P2668 R2672 S2706 C2709 G2964 G2965 K2968 | F2452-D2454 PolarHBondContact O-N 2.78Å; F2452-D2454 VanDerWaalsContact O-N 3.16Å; D2454-C2456 PolarHBondContact O-N 3.35Å; D2454-W2665 WeakPolarHBondContact O-CH2 3.48Å; D2454-P2668 HydrophobicContact CB-CG 4.36Å; D2454-P2668 VanDerWaalsContact O-CB 3.28Å; D2454-P2668 WeakPolarHBondContact O-CB 3.41Å; D2454-P2668 WeakPolarHBondContact O-CG 3.43Å; D2454-R2672 IonicContact OD1-CZ 2.95Å; D2454-R2672 IonicContact OD1-NH1 3.46Å; D2454-R2672 PolarHBondContact OD1-NH1 3.09Å; D2454-R2672 IonicContact OD1-NH2 2.85Å; D2454-R2672 PolarHBondContact OD1-NH2 3.09Å; D2454-S2706 WeakPolarHBondContact O-CB 3.3Å; D2454-S2706 PolarHBondContact OD2-OG 3.46Å; D2454-C2709 WeakPolarHBondContact CB-SG 3.42Å; D2454-C2709 PolarHBondContact OD2-N 3.09Å; D2454-C2709 PolarHBondContact OD2-SG 2.99Å; D2454-C2709 VanDerWaalsContact OD2-SG 3.38Å; D2454-G2964 WeakPolarHBondContact OD2-CA 2.95Å; D2454-G2965 PolarHBondContact OD2-N 3.21Å; D2454-K2968 VanDerWaalsContact CG-NZ 3.34Å; D2454-K2968 IonicContact OD1-NZ 3.73Å; D2454-K2968 PolarHBondContact OD1-NZ 3.19Å; D2454-K2968 WeakPolarHBondContact OD2-CD 3.28Å; D2454-K2968 WeakPolarHBondContact OD2-CE 3.1Å; D2454-K2968 IonicContact OD2-NZ 3.86Å; D2454-K2968 PolarHBondContact OD2-NZ 3.03Å |
| 2455 | Q | 57 | Low | 44.8 | Very low | 51.75 Ų | 51.75 | 80.5 Ų | 80.5 | 24% | 0.242 | 44% | 0.439 | C | S | . | . | trans | -84.6 | 97.7 | -176.3 | -63 | -177 | 9.7 | 0 | 0 | 111.1 | Y2451 F2452 N2453 I2457 A2540 L2543 W2665 S2706 C2709 G2965 | Y2451-Q2455 WeakPolarHBondContact O-CG 3.03Å; Y2451-Q2455 PolarHBondContact O-NE2 3.27Å; Y2451-Q2455 VanDerWaalsContact O-NE2 3.1Å; F2452-Q2455 PolarHBondContact O-N 2.59Å; N2453-Q2455 PolarHBondContact O-N 3.33Å; Q2455-I2457 PolarHBondContact O-N 2.69Å; Q2455-I2457 VanDerWaalsContact O-N 3.11Å; Q2455-A2540 PolarHBondContact NE2-O 3.14Å; Q2455-A2540 PolarHBondContact OE1-O 2.91Å; Q2455-L2543 HydrophobicContact CB-CD2 4Å; Q2455-W2665 WeakPolarHBondContact O-CH2 3.41Å; Q2455-S2706 PolarHBondContact O-N 2.96Å; Q2455-S2706 PolarHBondContact O-OG 3.08Å; Q2455-C2709 WeakPolarHBondContact CB-SG 3.34Å; Q2455-C2709 PolarHBondContact OE1-SG 3.1Å; Q2455-G2965 VanDerWaalsContact NE2-CA 3.29Å | ||
| 2456 | C | 60.2 | Low | 44.8 | Very low | 16.75 Ų | 16.75 | 75.8 Ų | 75.8 | 11% | 0.113 | 44% | 0.439 | C | S | . | . | trans | -79.1 | 131.9 | 172.4 | -117.6 | 0 | 0 | 0 | 0 | 109.8 | F2452 D2454 L2458 L2543 N2547 A2704 H2705 S2706 | F2452-C2456 HydrophobicContact CD1-CB 3.61Å; F2452-C2456 HydrophobicContact CE1-CB 3.24Å; F2452-C2456 HydrophobicContact CZ-CB 4.05Å; F2452-C2456 PolarHBondContact O-N 3.46Å; F2452-C2456 VanDerWaalsContact O-N 3.08Å; D2454-C2456 PolarHBondContact O-N 3.35Å; C2456-L2458 HydrophobicContact CB-CD1 4.36Å; C2456-L2458 PolarHBondContact O-N 2.98Å; C2456-L2458 VanDerWaalsContact O-N 3.12Å; C2456-L2543 HydrophobicContact CB-CD2 3.67Å; C2456-L2543 HydrophobicContact CB-CG 4.38Å; C2456-N2547 PolarHBondContact SG-ND2 3.45Å; C2456-A2704 CarbonylContact C-O 3.3Å; C2456-A2704 VanDerWaalsContact CA-O 3.31Å; C2456-A2704 WeakPolarHBondContact CA-O 3.21Å; C2456-A2704 WeakPolarHBondContact CB-O 3.46Å; C2456-H2705 PolarHBondContact SG-CD2 2.95Å; C2456-H2705 PolarHBondContact SG-ND1 2.8Å; C2456-H2705 PolarHBondContact SG-NE2 3.45Å; C2456-H2705 VanDerWaalsContact SG-NE2 3.37Å; C2456-S2706 PolarHBondContact SG-N 2.99Å | ||
| 2457 | I | 59.8 | Low | 44.7 | Very low | 52.25 Ų | 52.25 | 75.1 Ų | 75.1 | 27% | 0.268 | 44% | 0.441 | S | S | . | . | trans | -90.8 | 90.3 | -178.9 | -55.2 | 168.8 | 0 | 0 | 0 | 106.4 | Q2455 V2459 S2623 W2665 A2671 R2672 H2675 I2702 A2704 | Q2455-I2457 PolarHBondContact O-N 2.69Å; Q2455-I2457 VanDerWaalsContact O-N 3.11Å; I2457-V2459 HydrophobicContact CB-CG2 4.49Å; I2457-V2459 HydrophobicContact CG2-CG2 3.53Å; I2457-V2459 PolarHBondContact O-N 2.88Å; I2457-V2459 VanDerWaalsContact O-N 3.11Å; I2457-S2623 CarbonylContact O-C 3.55Å; I2457-S2623 WeakPolarHBondContact O-CA 3.28Å; I2457-S2623 WeakPolarHBondContact O-CB 3.15Å; I2457-W2665 HydrophobicContact CD1-CH2 4.16Å; I2457-W2665 HydrophobicContact CD1-CZ2 3.81Å; I2457-W2665 HydrophobicContact CG1-CH2 4.29Å; I2457-W2665 HydrophobicContact CG1-CZ2 3.93Å; I2457-A2671 HydrophobicContact CD1-CB 3.42Å; I2457-A2671 VanDerWaalsContact CD1-CB 3.47Å; I2457-R2672 HydrophobicContact CD1-CG 3.87Å; I2457-R2672 HydrophobicContact CG1-CG 4.47Å; I2457-H2675 HydrophobicContact CG2-CB 3.95Å; I2457-H2675 WeakPolarHBondContact CG2-CD2 3.44Å; I2457-I2702 HydrophobicContact CB-CD1 3.94Å; I2457-I2702 HydrophobicContact CD1-CD1 3.5Å; I2457-I2702 VanDerWaalsContact CD1-CD1 3.49Å; I2457-I2702 HydrophobicContact CG1-CD1 4.31Å; I2457-I2702 HydrophobicContact CG2-CD1 3.95Å; I2457-A2704 PolarHBondContact N-O 3.02Å; I2457-A2704 VanDerWaalsContact N-O 3.09Å | ||
| 2458 | L | 59.4 | Low | 44.6 | Very low | 14.5 Ų | 14.5 | 78.1 Ų | 78.1 | 8% | 0.076 | 45% | 0.451 | C | S | . | . | trans | -91.6 | 117.5 | 165.9 | -77.7 | 169.2 | 0 | 0 | 0 | 107.9 | C2456 L2519 F2523 Y2539 L2543 L2621 D2622 S2623 A2704 | C2456-L2458 HydrophobicContact CB-CD1 4.36Å; C2456-L2458 PolarHBondContact O-N 2.98Å; C2456-L2458 VanDerWaalsContact O-N 3.12Å; L2458-L2519 HydrophobicContact CD1-CD1 3.89Å; L2458-F2523 HydrophobicContact CB-CD1 4.47Å; L2458-F2523 HydrophobicContact CB-CE1 3.75Å; L2458-F2523 HydrophobicContact CB-CE2 4.39Å; L2458-F2523 HydrophobicContact CB-CZ 3.4Å; L2458-F2523 VanDerWaalsContact CB-CZ 3.4Å; L2458-F2523 HydrophobicContact CD1-CE1 4.06Å; L2458-F2523 HydrophobicContact CD1-CE2 3.96Å; L2458-F2523 HydrophobicContact CD1-CZ 3.54Å; L2458-F2523 HydrophobicContact CD2-CE1 4.47Å; L2458-F2523 HydrophobicContact CD2-CZ 4.13Å; L2458-F2523 HydrophobicContact CG-CE1 4.37Å; L2458-F2523 HydrophobicContact CG-CE2 4.43Å; L2458-F2523 HydrophobicContact CG-CZ 3.97Å; L2458-Y2539 PolarHBondContact O-OH 3.1Å; L2458-Y2539 VanDerWaalsContact O-OH 3.14Å; L2458-L2543 HydrophobicContact CB-CD1 4.47Å; L2458-L2543 HydrophobicContact CD1-CD1 3.65Å; L2458-L2543 HydrophobicContact CD1-CD2 4.28Å; L2458-L2543 HydrophobicContact CD1-CG 4.42Å; L2458-L2543 HydrophobicContact CG-CD1 4.32Å; L2458-L2621 HydrophobicContact CD2-CD2 4.5Å; L2458-D2622 WeakPolarHBondContact CD2-O 3.46Å; L2458-S2623 CarbonylContact C-O 3.51Å; L2458-S2623 WeakPolarHBondContact CA-O 3.34Å; L2458-A2704 HydrophobicContact CD1-CB 4.12Å; L2458-A2704 HydrophobicContact CD2-CB 3.65Å; L2458-A2704 HydrophobicContact CG-CB 3.88Å | ||
| 2459 | V | 54.1 | Low | 44.6 | Very low | 29.5 Ų | 29.5 | 79.6 Ų | 79.6 | 18% | 0.179 | 45% | 0.452 | C | S | . | . | trans | -83.7 | 138.6 | 178.4 | 172.7 | 0 | 0 | 0 | 0 | 110 | I2457 C2461 S2623 F2624 H2675 W2679 | I2457-V2459 HydrophobicContact CB-CG2 4.49Å; I2457-V2459 HydrophobicContact CG2-CG2 3.53Å; I2457-V2459 PolarHBondContact O-N 2.88Å; I2457-V2459 VanDerWaalsContact O-N 3.11Å; V2459-C2461 VanDerWaalsContact C-N 3.32Å; V2459-C2461 HydrophobicContact CG1-CB 4.39Å; V2459-C2461 PolarHBondContact O-N 3.01Å; V2459-S2623 PolarHBondContact N-O 3Å; V2459-F2624 HydrophobicContact CB-CD1 4.47Å; V2459-F2624 HydrophobicContact CB-CE1 4.45Å; V2459-H2675 WeakPolarHBondContact CG2-CE1 3.33Å; V2459-H2675 WeakPolarHBondContact CG2-NE2 3.46Å; V2459-W2679 HydrophobicContact CG1-CE3 3.99Å; V2459-W2679 HydrophobicContact CG1-CH2 3.79Å; V2459-W2679 HydrophobicContact CG1-CZ2 4.36Å; V2459-W2679 HydrophobicContact CG1-CZ3 3.42Å; V2459-W2679 HydrophobicContact CG2-CE3 4.45Å | ||
| 2460 | N | 47.5 | Very low | 44.5 | Very low | 66 Ų | 66 | 82.4 Ų | 82.4 | 35% | 0.353 | 46% | 0.461 | S | S | . | . | trans | -60.6 | 84.1 | 166.2 | -71.8 | -3.6 | 0 | 0 | 0 | 109.7 | T2462 M2526 | N2460-T2462 PolarHBondContact O-N 3.04Å; N2460-T2462 VanDerWaalsContact O-N 3.13Å; N2460-M2526 PolarHBondContact ND2-O 2.97Å; N2460-M2526 VanDerWaalsContact ND2-O 3.16Å | ||
| 2461 | C | 37.1 | Very low | 44.3 | Very low | 39.75 Ų | 39.75 | 84.7 Ų | 84.7 | 27% | 0.269 | 48% | 0.477 | S | S | . | . | trans | -78.8 | 107.2 | 165.6 | -119.2 | 0 | 0 | 0 | 0 | 107.2 | V2459 T2463 F2624 | V2459-C2461 VanDerWaalsContact C-N 3.32Å; V2459-C2461 HydrophobicContact CG1-CB 4.39Å; V2459-C2461 PolarHBondContact O-N 3.01Å; C2461-T2463 HydrophobicContact CB-CG2 4.37Å; C2461-T2463 PolarHBondContact O-N 3.2Å; C2461-F2624 HydrophobicContact CB-CD1 4.23Å | ||
| 2462 | T | 35.6 | Very low | 44.3 | Very low | 116.5 Ų | 116.5 | 84 Ų | 84 | 72% | 0.715 | 48% | 0.478 | S | S | * | . | trans | -68.6 | 74.8 | 162.4 | 51.7 | 0 | 0 | 0 | 0 | 107.9 | N2460 S2464 | N2460-T2462 PolarHBondContact O-N 3.04Å; N2460-T2462 VanDerWaalsContact O-N 3.13Å; T2462-S2464 VanDerWaalsContact C-N 3.27Å; T2462-S2464 PolarHBondContact O-N 3.34Å | ||
| 2463 | T | 34.1 | Very low | 44.1 | Very low | 93.25 Ų | 93.25 | 85.6 Ų | 85.6 | 57% | 0.572 | 50% | 0.495 | S | S | * | . | trans | -83.5 | 108.5 | 167.5 | 43.6 | 0 | 0 | 0 | 0 | 108 | C2461 | C2461-T2463 HydrophobicContact CB-CG2 4.37Å; C2461-T2463 PolarHBondContact O-N 3.2Å | ||
| 2464 | S | 33.3 | Very low | 43.9 | Very low | 95.5 Ų | 95.5 | 83.6 Ų | 83.6 | 67% | 0.668 | 49% | 0.486 | S | S | * | . | trans | -4.6 | 123.3 | 157.2 | 55.7 | 0 | 0 | 0 | 0 | 114.9 | T2462 | T2462-S2464 VanDerWaalsContact C-N 3.27Å; T2462-S2464 PolarHBondContact O-N 3.34Å | ||
| 2465 | D | 32.3 | Very low | 43.7 | Very low | 147.25 Ų | 147.25 | 90 Ų | 90 | 79% | 0.787 | 51% | 0.512 | S | S | * | . | S | Bend | trans | 45.2 | 108 | 154.4 | -60.1 | -24 | 0 | 0 | 0 | 117 | N2467 | D2465-N2467 VanDerWaalsContact C-N 3.28Å; D2465-N2467 PolarHBondContact O-N 2.93Å |
| 2466 | G | 33.3 | Very low | 43.4 | Very low | 80.75 Ų | 80.75 | 92.2 Ų | 92.2 | 83% | 0.832 | 53% | 0.529 | S | S | * | . | trans | 58.5 | 5.3 | 137.3 | 0 | 0 | 0 | 0 | 0 | 118.3 | E2468 | G2466-E2468 PolarHBondContact O-N 3.3Å; G2466-E2468 VanDerWaalsContact O-N 3.08Å | ||
| 2467 | N | 32.8 | Very low | 43 | Very low | 147.25 Ų | 147.25 | 95.2 Ų | 95.2 | 79% | 0.787 | 54% | 0.543 | S | S | * | . | trans | -87.1 | 95.4 | 168.9 | -71.2 | -16.1 | 0 | 0 | 0 | 107.6 | D2465 Q2469 | D2465-N2467 VanDerWaalsContact C-N 3.28Å; D2465-N2467 PolarHBondContact O-N 2.93Å; N2467-Q2469 VanDerWaalsContact C-N 3.31Å; N2467-Q2469 PolarHBondContact O-N 2.9Å | ||
| 2468 | E | 35 | Very low | 42.8 | Very low | 181 Ų | 181 | 97.8 Ų | 97.8 | 85% | 0.846 | 56% | 0.557 | S | S | * | * | trans | -36.9 | 119.5 | 154.5 | -67.4 | -179 | 161.6 | 0 | 0 | 107.2 | G2466 P2470 | G2466-E2468 PolarHBondContact O-N 3.3Å; G2466-E2468 VanDerWaalsContact O-N 3.08Å; E2468-P2470 VanDerWaalsContact O-CD 3.26Å; E2468-P2470 WeakPolarHBondContact O-CD 3.26Å | ||
| 2469 | Q | 40 | Very low | 43 | Very low | 114.25 Ų | 114.25 | 103.8 Ų | 103.8 | 53% | 0.534 | 58% | 0.579 | S | S | . | * | trans | -49.5 | 117.6 | 175.3 | -87.9 | -177.9 | -7.4 | 0 | 0 | 106.1 | N2467 L2471 G2625 | N2467-Q2469 VanDerWaalsContact C-N 3.31Å; N2467-Q2469 PolarHBondContact O-N 2.9Å; Q2469-L2471 PolarHBondContact O-N 3.1Å; Q2469-L2471 VanDerWaalsContact O-N 3.13Å; Q2469-G2625 PolarHBondContact NE2-O 3.15Å | ||
| 2470 | P | 38.4 | Very low | 43.6 | Very low | 106 Ų | 106 | 103.9 Ų | 103.9 | 69% | 0.688 | 58% | 0.581 | S | S | * | * | trans | -56.9 | 125.8 | -176.5 | 20.2 | -30.2 | 0 | 0 | 0 | 106.4 | E2468 I2472 | E2468-P2470 VanDerWaalsContact O-CD 3.26Å; E2468-P2470 WeakPolarHBondContact O-CD 3.26Å; P2470-I2472 PolarHBondContact O-N 3.1Å | ||
| 2471 | L | 42 | Very low | 45 | Very low | 160.5 Ų | 160.5 | 102.3 Ų | 102.3 | 84% | 0.84 | 57% | 0.569 | S | S | * | * | trans | -47.2 | 108.9 | 164.8 | -99.2 | 126.5 | 0 | 0 | 0 | 104.9 | Q2469 P2473 | Q2469-L2471 PolarHBondContact O-N 3.1Å; Q2469-L2471 VanDerWaalsContact O-N 3.13Å; L2471-P2473 WeakPolarHBondContact O-CD 3.29Å; L2471-P2473 VanDerWaalsContact O-N 3.08Å | ||
| 2472 | I | 46.8 | Very low | 46.6 | Very low | 66.75 Ų | 66.75 | 101.9 Ų | 101.9 | 34% | 0.342 | 57% | 0.565 | S | S | . | * | trans | -61.5 | 114.8 | 179.9 | -62.4 | -179.9 | 0 | 0 | 0 | 103.6 | P2470 V2474 R2516 F2617 P2618 | P2470-I2472 PolarHBondContact O-N 3.1Å; I2472-V2474 VanDerWaalsContact C-N 3.33Å; I2472-V2474 PolarHBondContact O-N 2.88Å; I2472-R2516 VanDerWaalsContact CD1-NH1 3.28Å; I2472-R2516 VanDerWaalsContact CD1-NH2 3.32Å; I2472-F2617 HydrophobicContact CD1-CZ 4.35Å; I2472-F2617 HydrophobicContact CG2-CE2 4.15Å; I2472-F2617 HydrophobicContact CG2-CZ 4.24Å; I2472-P2618 HydrophobicContact CD1-CB 4.46Å; I2472-P2618 HydrophobicContact CD1-CG 3.45Å | ||
| 2473 | P | 44.9 | Very low | 48.7 | Very low | 104 Ų | 104 | 96.6 Ų | 96.6 | 68% | 0.675 | 53% | 0.532 | S | S | * | . | trans | -64.8 | 107 | 175.3 | 22.1 | -22.3 | 0 | 0 | 0 | 104.7 | L2471 K2475 | L2471-P2473 WeakPolarHBondContact O-CD 3.29Å; L2471-P2473 VanDerWaalsContact O-N 3.08Å; P2473-K2475 VanDerWaalsContact C-N 3.27Å; P2473-K2475 HydrophobicContact CB-CG 3.91Å; P2473-K2475 HydrophobicContact CG-CG 4.04Å; P2473-K2475 PolarHBondContact O-N 3.05Å; P2473-K2475 VanDerWaalsContact O-N 3.13Å | ||
| 2474 | V | 46.6 | Very low | 50.9 | Low | 39.25 Ų | 39.25 | 92.8 Ų | 92.8 | 24% | 0.238 | 51% | 0.508 | C | S | . | . | trans | -61.2 | 102.5 | 164.6 | -178.4 | 0 | 0 | 0 | 0 | 104.2 | I2472 T2476 I2477 D2510 L2513 A2514 Y2613 F2617 | I2472-V2474 VanDerWaalsContact C-N 3.33Å; I2472-V2474 PolarHBondContact O-N 2.88Å; V2474-T2476 VanDerWaalsContact C-N 3.33Å; V2474-T2476 PolarHBondContact O-N 3.09Å; V2474-I2477 HydrophobicContact CG1-CD1 4.41Å; V2474-I2477 HydrophobicContact CG1-CG1 4.25Å; V2474-D2510 HydrophobicContact CG1-CB 4.11Å; V2474-D2510 WeakPolarHBondContact CG1-OD1 3.43Å; V2474-L2513 HydrophobicContact CG2-CB 4.47Å; V2474-A2514 HydrophobicContact CB-CB 4.36Å; V2474-A2514 HydrophobicContact CG1-CB 3.43Å; V2474-A2514 VanDerWaalsContact CG1-CB 3.43Å; V2474-A2514 HydrophobicContact CG2-CB 4.15Å; V2474-Y2613 VanDerWaalsContact CG1-OH 3.29Å; V2474-Y2613 WeakPolarHBondContact CG1-OH 3.27Å; V2474-F2617 HydrophobicContact CG2-CE2 4.13Å; V2474-F2617 HydrophobicContact CG2-CZ 4.43Å | ||
| 2475 | K | 48.2 | Very low | 53.2 | Low | 167.75 Ų | 167.75 | 88.3 Ų | 88.3 | 73% | 0.729 | 48% | 0.477 | S | S | * | . | trans | -61.4 | 109.9 | 173.7 | -77.5 | -177.5 | 177.7 | 176.4 | 0 | 105 | P2473 I2477 Y2613 | P2473-K2475 VanDerWaalsContact C-N 3.27Å; P2473-K2475 HydrophobicContact CB-CG 3.91Å; P2473-K2475 HydrophobicContact CG-CG 4.04Å; P2473-K2475 PolarHBondContact O-N 3.05Å; P2473-K2475 VanDerWaalsContact O-N 3.13Å; K2475-I2477 WeakPolarHBondContact O-CG1 3.12Å; K2475-I2477 PolarHBondContact O-N 3.37Å; K2475-Y2613 PolarHBondContact O-OH 3.43Å; K2475-Y2613 VanDerWaalsContact O-OH 3.09Å | ||
| 2476 | T | 50.3 | Low | 55.4 | Low | 98.25 Ų | 98.25 | 83.5 Ų | 83.5 | 60% | 0.603 | 46% | 0.455 | S | S | * | . | trans | -35.5 | 100.5 | 177.4 | 48 | 0 | 0 | 0 | 0 | 110.6 | V2474 N2478 D2510 | V2474-T2476 VanDerWaalsContact C-N 3.33Å; V2474-T2476 PolarHBondContact O-N 3.09Å; T2476-N2478 VanDerWaalsContact C-N 3.32Å; T2476-N2478 WeakPolarHBondContact CB-O 3.47Å; T2476-N2478 PolarHBondContact O-N 3.3Å; T2476-N2478 PolarHBondContact O-OD1 3.42Å; T2476-D2510 WeakPolarHBondContact CA-OD2 3.38Å; T2476-D2510 HydrophobicContact CG2-CB 4.46Å | ||
| 2477 | I | 51.9 | Low | 57.5 | Low | 78.5 Ų | 78.5 | 85.3 Ų | 85.3 | 40% | 0.403 | 44% | 0.44 | S | S | . | . | trans | -70.7 | 29.1 | 166.8 | -58.8 | 174.2 | 0 | 0 | 0 | 106.6 | V2474 K2475 R2479 P2480 D2510 E2511 A2514 Y2613 | V2474-I2477 HydrophobicContact CG1-CD1 4.41Å; V2474-I2477 HydrophobicContact CG1-CG1 4.25Å; K2475-I2477 WeakPolarHBondContact O-CG1 3.12Å; K2475-I2477 PolarHBondContact O-N 3.37Å; I2477-R2479 PolarHBondContact O-N 3.06Å; I2477-R2479 VanDerWaalsContact O-N 3.08Å; I2477-P2480 HydrophobicContact CG2-CB 3.96Å; I2477-P2480 HydrophobicContact CG2-CG 4.25Å; I2477-P2480 WeakPolarHBondContact O-CD 3.49Å; I2477-D2510 HydrophobicContact CD1-CB 4.45Å; I2477-D2510 HydrophobicContact CG1-CB 4.28Å; I2477-D2510 PolarHBondContact N-OD2 3.26Å; I2477-E2511 HydrophobicContact CD1-CB 4.23Å; I2477-E2511 HydrophobicContact CD1-CG 4.01Å; I2477-E2511 HydrophobicContact CG2-CG 4.3Å; I2477-A2514 HydrophobicContact CD1-CB 4.23Å; I2477-Y2613 HydrophobicContact CD1-CD1 3.74Å; I2477-Y2613 HydrophobicContact CD1-CD2 3.59Å; I2477-Y2613 HydrophobicContact CD1-CE1 4.02Å; I2477-Y2613 HydrophobicContact CD1-CE2 3.91Å; I2477-Y2613 HydrophobicContact CD1-CG 3.48Å; I2477-Y2613 VanDerWaalsContact CD1-CG 3.48Å; I2477-Y2613 HydrophobicContact CG1-CD2 4.45Å; I2477-Y2613 HydrophobicContact CG1-CE2 4.31Å | ||
| 2478 | N | 55.5 | Low | 59.5 | Low | 106.5 Ų | 106.5 | 79.5 Ų | 79.5 | 57% | 0.57 | 41% | 0.41 | S | S | * | . | S | Bend | trans | -92.2 | 115 | -177.5 | -73 | -29.6 | 0 | 0 | 0 | 110.4 | T2476 T2508 D2510 | T2476-N2478 VanDerWaalsContact C-N 3.32Å; T2476-N2478 WeakPolarHBondContact CB-O 3.47Å; T2476-N2478 PolarHBondContact O-N 3.3Å; T2476-N2478 PolarHBondContact O-OD1 3.42Å; N2478-T2508 HydrophobicContact CB-CG2 4.32Å; N2478-D2510 PolarHBondContact N-OD2 2.99Å |
| 2479 | R | 62.6 | Low | 61.7 | Low | 141.25 Ų | 141.25 | 71.3 Ų | 71.3 | 53% | 0.533 | 37% | 0.371 | S | S | . | . | S | Bend | trans | -68.6 | 113.6 | 174.7 | -65.3 | -174.6 | 178.3 | 176 | -10.1 | 111 | D2403 D2405 V2406 I2477 | D2403-R2479 IonicContact OD2-CZ 2.97Å; D2403-R2479 IonicContact OD2-NH1 3.62Å; D2403-R2479 PolarHBondContact OD2-NH1 3.39Å; D2403-R2479 VanDerWaalsContact OD2-NH1 3.12Å; D2403-R2479 IonicContact OD2-NH2 2.8Å; D2405-R2479 IonicContact OD1-NH1 3.01Å; D2405-R2479 PolarHBondContact OD1-NH1 2.88Å; D2405-R2479 WeakPolarHBondContact OD2-CD 3.39Å; D2405-R2479 IonicContact OD2-CZ 3.11Å; D2405-R2479 IonicContact OD2-NE 2.97Å; D2405-R2479 IonicContact OD2-NH1 3.29Å; D2405-R2479 PolarHBondContact OD2-NH1 2.83Å; V2406-R2479 HydrophobicContact CG1-CB 3.89Å; I2477-R2479 PolarHBondContact O-N 3.06Å; I2477-R2479 VanDerWaalsContact O-N 3.08Å |
| 2480 | P | 66.9 | Low | 63.3 | Low | 32 Ų | 32 | 67.2 Ų | 67.2 | 21% | 0.208 | 36% | 0.36 | C | S | . | . | trans | -62.4 | 143.5 | 176.2 | 22.6 | -29.2 | 0 | 0 | 0 | 111.2 | Y2352 I2477 I2482 E2511 | Y2352-P2480 HydrophobicContact CD1-CG 4.18Å; Y2352-P2480 HydrophobicContact CE1-CB 4.34Å; Y2352-P2480 HydrophobicContact CE1-CG 3.81Å; I2477-P2480 HydrophobicContact CG2-CB 3.96Å; I2477-P2480 HydrophobicContact CG2-CG 4.25Å; I2477-P2480 WeakPolarHBondContact O-CD 3.49Å; P2480-I2482 HydrophobicContact CB-CG1 4.12Å; P2480-I2482 HydrophobicContact CG-CD1 4.08Å; P2480-I2482 HydrophobicContact CG-CG1 3.97Å; P2480-I2482 WeakPolarHBondContact O-CG1 3.44Å; P2480-I2482 PolarHBondContact O-N 3.41Å; P2480-E2511 VanDerWaalsContact C-OE1 3.28Å; P2480-E2511 VanDerWaalsContact CA-OE1 3.29Å; P2480-E2511 WeakPolarHBondContact CA-OE1 3.29Å; P2480-E2511 HydrophobicContact CB-CG 4.31Å; P2480-E2511 VanDerWaalsContact CB-OE1 3.25Å; P2480-E2511 WeakPolarHBondContact CB-OE1 3.31Å | ||
| 2481 | R | 76.8 | Confident | 64.8 | Low | 31 Ų | 31 | 66.1 Ų | 66.1 | 12% | 0.117 | 36% | 0.355 | C | S | . | . | trans | -79.3 | 68.5 | 174.4 | -70.2 | 177.5 | -167.9 | 153.2 | 5.7 | 109.9 | D2405 V2406 C2408 F2483 P2504 T2506 S2507 T2508 E2511 E2564 | D2405-R2481 VanDerWaalsContact O-CG 3.32Å; D2405-R2481 WeakPolarHBondContact O-CG 3.32Å; V2406-R2481 CarbonylContact O-C 3.52Å; V2406-R2481 VanDerWaalsContact O-CA 3.28Å; V2406-R2481 WeakPolarHBondContact O-CA 3.36Å; C2408-R2481 HydrophobicContact CB-CB 4.08Å; C2408-R2481 HydrophobicContact CB-CG 4.48Å; R2481-F2483 VanDerWaalsContact C-N 3.28Å; R2481-F2483 PolarHBondContact O-N 3.24Å; R2481-P2504 VanDerWaalsContact CZ-CB 3.46Å; R2481-P2504 VanDerWaalsContact CZ-CG 3.46Å; R2481-P2504 VanDerWaalsContact NH1-CB 3.29Å; R2481-T2506 WeakPolarHBondContact CD-O 3.3Å; R2481-T2506 PolarHBondContact NH1-O 3.31Å; R2481-S2507 PolarHBondContact NH1-O 2.88Å; R2481-T2508 HydrophobicContact CB-CG2 4.48Å; R2481-T2508 HydrophobicContact CG-CG2 3.88Å; R2481-T2508 VanDerWaalsContact CZ-CG2 3.48Å; R2481-T2508 VanDerWaalsContact NE-CG2 3.34Å; R2481-E2511 WeakPolarHBondContact CA-OE1 3.43Å; R2481-E2511 PolarHBondContact N-OE1 2.99Å; R2481-E2564 IonicContact CZ-OE1 2.89Å; R2481-E2564 VanDerWaalsContact CZ-OE1 3.29Å; R2481-E2564 IonicContact NH1-OE1 3.21Å; R2481-E2564 PolarHBondContact NH1-OE1 3.14Å; R2481-E2564 IonicContact NH2-OE1 2.9Å; R2481-E2564 PolarHBondContact NH2-OE1 3.05Å | ||
| 2482 | I | 70.9 | Confident | 66.1 | Low | 33.25 Ų | 33.25 | 63.1 Ų | 63.1 | 17% | 0.171 | 34% | 0.337 | C | S | . | . | trans | -62.3 | -32.9 | -175.2 | -62.6 | 165.6 | 0 | 0 | 0 | 112 | Y2352 P2355 V2406 P2480 | Y2352-I2482 HydrophobicContact CD1-CD1 4.35Å; Y2352-I2482 HydrophobicContact CD1-CG1 3.97Å; Y2352-I2482 HydrophobicContact CD2-CG1 4.21Å; Y2352-I2482 HydrophobicContact CG-CB 4.5Å; Y2352-I2482 HydrophobicContact CG-CD1 4.31Å; Y2352-I2482 HydrophobicContact CG-CG1 4Å; Y2352-I2482 HydrophobicContact CG-CG2 4.21Å; P2355-I2482 HydrophobicContact CG-CD1 3.99Å; V2406-I2482 PolarHBondContact O-N 3.22Å; P2480-I2482 HydrophobicContact CB-CG1 4.12Å; P2480-I2482 HydrophobicContact CG-CD1 4.08Å; P2480-I2482 HydrophobicContact CG-CG1 3.97Å; P2480-I2482 WeakPolarHBondContact O-CG1 3.44Å; P2480-I2482 PolarHBondContact O-N 3.41Å | ||
| 2483 | F | 80.2 | Confident | 67.6 | Low | 5.25 Ų | 5.25 | 60.1 Ų | 60.1 | 2% | 0.023 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 129 | -171.2 | -59.4 | -81.8 | 0 | 0 | 0 | 112.1 | V2312 P2315 P2355 V2356 V2402 V2406 V2407 C2408 R2481 | V2312-F2483 HydrophobicContact CB-CB 3.96Å; V2312-F2483 HydrophobicContact CB-CD1 3.87Å; V2312-F2483 HydrophobicContact CB-CG 4.06Å; V2312-F2483 HydrophobicContact CG1-CB 3.81Å; V2312-F2483 HydrophobicContact CG1-CG 4.28Å; V2312-F2483 HydrophobicContact CG2-CB 4.09Å; V2312-F2483 HydrophobicContact CG2-CD1 3.34Å; V2312-F2483 HydrophobicContact CG2-CD2 4.23Å; V2312-F2483 HydrophobicContact CG2-CE1 3.67Å; V2312-F2483 HydrophobicContact CG2-CG 3.64Å; V2312-F2483 HydrophobicContact CG2-CZ 4.25Å; P2315-F2483 HydrophobicContact CG-CE1 4.34Å; P2355-F2483 HydrophobicContact CG-CE2 3.92Å; P2355-F2483 HydrophobicContact CG-CZ 4.09Å; V2356-F2483 HydrophobicContact CG2-CZ 4.47Å; V2402-F2483 HydrophobicContact CB-CD2 4.48Å; V2402-F2483 HydrophobicContact CB-CE2 4.43Å; V2402-F2483 HydrophobicContact CG1-CD2 4.14Å; V2402-F2483 HydrophobicContact CG1-CE2 3.83Å; V2402-F2483 HydrophobicContact CG1-CZ 3.97Å; V2402-F2483 HydrophobicContact CG2-CD2 4.3Å; V2402-F2483 HydrophobicContact CG2-CE2 3.96Å; V2402-F2483 HydrophobicContact CG2-CZ 4.12Å; V2406-F2483 HydrophobicContact CB-CD2 4.33Å; V2406-F2483 HydrophobicContact CG2-CD2 4.1Å; V2406-F2483 HydrophobicContact CG2-CE2 4.35Å; V2406-F2483 PolarHBondContact O-N 3.19Å; V2406-F2483 VanDerWaalsContact O-N 3.16Å; V2407-F2483 WeakPolarHBondContact CA-O 3.39Å; V2407-F2483 HydrophobicContact CG2-CB 4.26Å; C2408-F2483 PolarHBondContact N-O 3.16Å; R2481-F2483 VanDerWaalsContact C-N 3.28Å; R2481-F2483 PolarHBondContact O-N 3.24Å |
| 2484 | V | 81.2 | Confident | 69.1 | Low | 13.5 Ų | 13.5 | 58.6 Ų | 58.6 | 8% | 0.082 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 114.1 | -175.7 | -174.1 | 0 | 0 | 0 | 0 | 110.1 | C2408 W2409 S2411 S2486 K2487 | C2408-V2484 WeakPolarHBondContact O-CA 3.39Å; W2409-V2484 VanDerWaalsContact O-CG1 3.29Å; W2409-V2484 WeakPolarHBondContact O-CG1 3.24Å; S2411-V2484 WeakPolarHBondContact OG-CG2 3.24Å; V2484-S2486 VanDerWaalsContact CG1-OG 3.3Å; V2484-S2486 WeakPolarHBondContact CG1-OG 3.26Å; V2484-K2487 HydrophobicContact CB-CD 4.01Å; V2484-K2487 HydrophobicContact CB-CG 4.15Å; V2484-K2487 HydrophobicContact CG1-CD 4.35Å; V2484-K2487 HydrophobicContact CG1-CG 4.06Å; V2484-K2487 HydrophobicContact CG2-CD 4.47Å; V2484-K2487 PolarHBondContact O-N 3.23Å |
| 2485 | L | 81.3 | Confident | 70.3 | Confident | 0.25 Ų | 0.25 | 59.2 Ų | 59.2 | 0% | 0.001 | 30% | 0.302 | C | S | . | . | G | 310 helix | trans | -71.4 | -32.3 | -175.8 | -65.7 | 173.5 | 0 | 0 | 0 | 113.2 | I2310 V2312 V2407 C2408 W2409 K2487 C2488 Y2489 F2497 L2503 | I2310-L2485 HydrophobicContact CG2-CD2 3.89Å; V2312-L2485 HydrophobicContact CG1-CD2 3.93Å; V2407-L2485 HydrophobicContact CG1-CD1 3.53Å; V2407-L2485 VanDerWaalsContact CG1-CD1 3.49Å; V2407-L2485 HydrophobicContact CG1-CD2 3.66Å; V2407-L2485 HydrophobicContact CG1-CG 3.34Å; C2408-L2485 PolarHBondContact O-N 3.34Å; W2409-L2485 HydrophobicContact CE3-CB 3.76Å; W2409-L2485 HydrophobicContact CE3-CD1 4.3Å; W2409-L2485 HydrophobicContact CZ3-CB 3.99Å; W2409-L2485 PolarHBondContact O-N 3.05Å; L2485-K2487 PolarHBondContact O-N 3.06Å; L2485-K2487 VanDerWaalsContact O-N 3.09Å; L2485-C2488 CarbonylContact O-C 3.47Å; L2485-C2488 WeakPolarHBondContact O-CA 3.33Å; L2485-C2488 PolarHBondContact O-N 3.16Å; L2485-C2488 PolarHBondContact O-SG 2.69Å; L2485-C2488 VanDerWaalsContact O-SG 3.38Å; L2485-Y2489 HydrophobicContact CB-CD2 4.13Å; L2485-Y2489 HydrophobicContact CD2-CD2 3.86Å; L2485-Y2489 HydrophobicContact CD2-CE2 3.67Å; L2485-Y2489 PolarHBondContact O-N 3.23Å; L2485-F2497 HydrophobicContact CD1-CB 4.4Å; L2485-F2497 HydrophobicContact CD1-CD1 4.15Å; L2485-F2497 HydrophobicContact CD1-CG 4.26Å; L2485-L2503 HydrophobicContact CD1-CD1 3.88Å; L2485-L2503 HydrophobicContact CD1-CD2 4.21Å |
| 2486 | S | 78.8 | Confident | 71.7 | Confident | 46.25 Ų | 46.25 | 51.8 Ų | 51.8 | 32% | 0.323 | 27% | 0.27 | S | S | . | . | G | 310 helix | trans | -61.8 | -18.2 | 179.1 | 66.7 | 0 | 0 | 0 | 0 | 113.5 | W2409 V2484 | W2409-S2486 VanDerWaalsContact O-CB 3.24Å; W2409-S2486 WeakPolarHBondContact O-CB 3.21Å; W2409-S2486 PolarHBondContact O-N 3.05Å; W2409-S2486 PolarHBondContact O-OG 3.13Å; W2409-S2486 VanDerWaalsContact O-OG 3.12Å; V2484-S2486 VanDerWaalsContact CG1-OG 3.3Å; V2484-S2486 WeakPolarHBondContact CG1-OG 3.26Å |
| 2487 | K | 76.5 | Confident | 73.3 | Confident | 119 Ų | 119 | 47.1 Ų | 47.1 | 52% | 0.517 | 24% | 0.242 | S | C | . | . | G | 310 helix | trans | -79.9 | -24.9 | 173.3 | -62.7 | -179.1 | -179.5 | 176.4 | 0 | 112.9 | M2318 V2484 L2485 | M2318-K2487 HydrophobicContact CE-CB 3.91Å; M2318-K2487 HydrophobicContact CE-CD 3.6Å; M2318-K2487 HydrophobicContact CE-CG 4.28Å; M2318-K2487 HydrophobicContact SD-CD 4.2Å; V2484-K2487 HydrophobicContact CB-CD 4.01Å; V2484-K2487 HydrophobicContact CB-CG 4.15Å; V2484-K2487 HydrophobicContact CG1-CD 4.35Å; V2484-K2487 HydrophobicContact CG1-CG 4.06Å; V2484-K2487 HydrophobicContact CG2-CD 4.47Å; V2484-K2487 PolarHBondContact O-N 3.23Å; L2485-K2487 PolarHBondContact O-N 3.06Å; L2485-K2487 VanDerWaalsContact O-N 3.09Å |
| 2488 | C | 75.1 | Confident | 74.4 | Confident | 24.5 Ų | 24.5 | 43.7 Ų | 43.7 | 17% | 0.166 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -106.1 | -27.3 | -175.8 | -35.8 | 0 | 0 | 0 | 0 | 113.2 | P2260 Q2313 L2485 | P2260-C2488 WeakPolarHBondContact CB-O 3.21Å; P2260-C2488 HydrophobicContact CG-CB 4.4Å; Q2313-C2488 HydrophobicContact CB-CB 4.19Å; Q2313-C2488 VanDerWaalsContact CB-SG 3.51Å; Q2313-C2488 WeakPolarHBondContact CB-SG 3.4Å; Q2313-C2488 PolarHBondContact N-SG 2.87Å; L2485-C2488 CarbonylContact O-C 3.47Å; L2485-C2488 WeakPolarHBondContact O-CA 3.33Å; L2485-C2488 PolarHBondContact O-N 3.16Å; L2485-C2488 PolarHBondContact O-SG 2.69Å; L2485-C2488 VanDerWaalsContact O-SG 3.38Å |
| 2489 | Y | 81.7 | Confident | 75.1 | Confident | 9.25 Ų | 9.25 | 40.3 Ų | 40.3 | 4% | 0.036 | 21% | 0.205 | C | C | . | . | S | Bend | trans | -124.2 | 146.2 | -176.1 | -62.2 | -84.2 | 0 | 0 | 0 | 111.5 | P2260 L2264 L2311 L2485 S2493 F2497 | P2260-Y2489 HydrophobicContact CB-CD1 4.05Å; P2260-Y2489 HydrophobicContact CB-CE1 3.7Å; L2264-Y2489 HydrophobicContact CD1-CD1 4.08Å; L2264-Y2489 HydrophobicContact CD1-CE1 4.43Å; L2264-Y2489 HydrophobicContact CD2-CD1 4.06Å; L2264-Y2489 HydrophobicContact CD2-CE1 4.24Å; L2264-Y2489 HydrophobicContact CG-CD1 3.97Å; L2264-Y2489 HydrophobicContact CG-CE1 4.02Å; L2311-Y2489 WeakPolarHBondContact CB-OH 3.36Å; L2311-Y2489 VanDerWaalsContact O-CE2 3.31Å; L2311-Y2489 WeakPolarHBondContact O-CE2 3.44Å; L2311-Y2489 PolarHBondContact O-OH 3.28Å; L2485-Y2489 HydrophobicContact CB-CD2 4.13Å; L2485-Y2489 HydrophobicContact CD2-CD2 3.86Å; L2485-Y2489 HydrophobicContact CD2-CE2 3.67Å; L2485-Y2489 PolarHBondContact O-N 3.23Å; Y2489-S2493 WeakPolarHBondContact CB-OG 3.4Å; Y2489-F2497 AromaticContact CD1-CE2 3.87Å; Y2489-F2497 HydrophobicContact CD1-CE2 3.87Å; Y2489-F2497 AromaticContact CD1-CZ 3.86Å; Y2489-F2497 HydrophobicContact CD1-CZ 3.86Å; Y2489-F2497 AromaticContact CD2-CE2 3.99Å; Y2489-F2497 HydrophobicContact CD2-CE2 4.13Å; Y2489-F2497 AromaticContact CD2-CZ 3.88Å; Y2489-F2497 HydrophobicContact CD2-CZ 4.05Å; Y2489-F2497 HydrophobicContact CE1-CE2 4.25Å; Y2489-F2497 AromaticContact CE1-CZ 3.75Å; Y2489-F2497 HydrophobicContact CE1-CZ 3.75Å; Y2489-F2497 HydrophobicContact CE2-CE1 4.37Å; Y2489-F2497 HydrophobicContact CE2-CE2 4.4Å; Y2489-F2497 AromaticContact CE2-CZ 3.85Å; Y2489-F2497 HydrophobicContact CE2-CZ 3.97Å; Y2489-F2497 AromaticContact CG-CE2 3.8Å; Y2489-F2497 HydrophobicContact CG-CE2 3.8Å; Y2489-F2497 AromaticContact CG-CZ 3.92Å; Y2489-F2497 HydrophobicContact CG-CZ 4.01Å; Y2489-F2497 AromaticContact CZ-CZ 3.81Å |
| 2490 | G | 73 | Confident | 75.7 | Confident | 29 Ų | 29 | 34.9 Ų | 34.9 | 30% | 0.299 | 19% | 0.185 | S | C | . | . | trans | -69.7 | 154.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | W2409 E2492 S2493 | W2409-G2490 WeakPolarHBondContact CH2-O 3.28Å; G2490-E2492 VanDerWaalsContact C-OE2 3.27Å; G2490-E2492 WeakPolarHBondContact CA-OE2 3.36Å; G2490-E2492 PolarHBondContact O-N 3.14Å; G2490-E2492 VanDerWaalsContact O-N 3.09Å; G2490-S2493 PolarHBondContact O-N 3Å; G2490-S2493 PolarHBondContact O-OG 3.11Å | ||
| 2491 | S | 70.4 | Confident | 76.2 | Confident | 82.5 Ų | 82.5 | 33.6 Ų | 33.6 | 58% | 0.577 | 18% | 0.176 | S | C | * | . | G | 310 helix | trans | -53.4 | -29.5 | -178.6 | 51.8 | 0 | 0 | 0 | 0 | 114.5 | S2493 R2494 | S2491-S2493 PolarHBondContact O-N 2.92Å; S2491-R2494 WeakPolarHBondContact O-CB 3.33Å; S2491-R2494 PolarHBondContact O-N 3.17Å; S2491-R2494 VanDerWaalsContact O-N 3.14Å |
| 2492 | E | 69.7 | Low | 76 | Confident | 98 Ų | 98 | 33 Ų | 33 | 46% | 0.458 | 18% | 0.18 | S | C | . | . | G | 310 helix | trans | -62.7 | -25.7 | 177.2 | 62 | -82.4 | -172.1 | 0 | 0 | 113.3 | G2490 | G2490-E2492 VanDerWaalsContact C-OE2 3.27Å; G2490-E2492 WeakPolarHBondContact CA-OE2 3.36Å; G2490-E2492 PolarHBondContact O-N 3.14Å; G2490-E2492 VanDerWaalsContact O-N 3.09Å |
| 2493 | S | 76.5 | Confident | 76.5 | Confident | 3.75 Ų | 3.75 | 31.5 Ų | 31.5 | 3% | 0.026 | 17% | 0.172 | C | C | . | . | G | 310 helix | trans | -88.3 | -10.2 | 179.7 | 66.9 | 0 | 0 | 0 | 0 | 113.4 | W2409 Y2489 G2490 S2491 Q2495 F2496 F2497 | W2409-S2493 WeakPolarHBondContact CH2-OG 3.37Å; Y2489-S2493 WeakPolarHBondContact CB-OG 3.4Å; G2490-S2493 PolarHBondContact O-N 3Å; G2490-S2493 PolarHBondContact O-OG 3.11Å; S2491-S2493 PolarHBondContact O-N 2.92Å; S2493-Q2495 VanDerWaalsContact C-N 3.27Å; S2493-Q2495 PolarHBondContact O-N 3.19Å; S2493-F2496 WeakPolarHBondContact O-CB 3.44Å; S2493-F2496 PolarHBondContact O-N 3.06Å; S2493-F2496 VanDerWaalsContact O-N 3.08Å; S2493-F2497 VanDerWaalsContact O-CD2 3.24Å; S2493-F2497 WeakPolarHBondContact O-CD2 3.36Å; S2493-F2497 PolarHBondContact O-N 3.19Å; S2493-F2497 VanDerWaalsContact O-N 3.16Å |
| 2494 | R | 76.8 | Confident | 76.4 | Confident | 71.5 Ų | 71.5 | 31.8 Ų | 31.8 | 27% | 0.27 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -49.4 | -48.4 | -177.8 | -179.1 | 175.7 | -178.3 | -86.3 | 1.5 | 112.2 | W2409 S2491 F2496 F2497 I2498 E2563 | W2409-R2494 HydrophobicContact CD2-CB 4.05Å; W2409-R2494 HydrophobicContact CD2-CG 3.79Å; W2409-R2494 VanDerWaalsContact CE2-CG 3.49Å; W2409-R2494 HydrophobicContact CE3-CB 4.39Å; W2409-R2494 HydrophobicContact CE3-CG 4.36Å; W2409-R2494 HydrophobicContact CG-CG 4.05Å; W2409-R2494 HydrophobicContact CH2-CB 3.9Å; W2409-R2494 HydrophobicContact CZ2-CB 3.46Å; W2409-R2494 VanDerWaalsContact CZ2-CB 3.46Å; W2409-R2494 HydrophobicContact CZ2-CG 4.03Å; W2409-R2494 HydrophobicContact CZ3-CB 4.36Å; S2491-R2494 WeakPolarHBondContact O-CB 3.33Å; S2491-R2494 PolarHBondContact O-N 3.17Å; S2491-R2494 VanDerWaalsContact O-N 3.14Å; R2494-F2496 VanDerWaalsContact C-N 3.31Å; R2494-F2496 PolarHBondContact O-N 3.07Å; R2494-F2497 PolarHBondContact O-N 2.99Å; R2494-I2498 HydrophobicContact CG-CD1 3.53Å; R2494-I2498 HydrophobicContact CG-CG1 4.34Å; R2494-I2498 WeakPolarHBondContact O-CB 3.33Å; R2494-I2498 WeakPolarHBondContact O-CG1 3.31Å; R2494-I2498 PolarHBondContact O-N 3.08Å; R2494-E2563 IonicContact NH2-OE2 2.7Å; R2494-E2563 PolarHBondContact NH2-OE2 2.78Å |
| 2495 | Q | 71.5 | Confident | 76.1 | Confident | 51.25 Ų | 51.25 | 31.4 Ų | 31.4 | 24% | 0.239 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -62.2 | -40.4 | -176 | -165.2 | 73.2 | -13.8 | 0 | 0 | 111.9 | S2493 E2499 T2741 Y2747 | S2493-Q2495 VanDerWaalsContact C-N 3.27Å; S2493-Q2495 PolarHBondContact O-N 3.19Å; Q2495-E2499 VanDerWaalsContact CD-OE2 3.29Å; Q2495-E2499 HydrophobicContact CG-CG 4.22Å; Q2495-E2499 WeakPolarHBondContact CG-OE2 3.23Å; Q2495-E2499 PolarHBondContact NE2-OE1 2.99Å; Q2495-E2499 PolarHBondContact NE2-OE2 3.1Å; Q2495-E2499 WeakPolarHBondContact O-CA 3.46Å; Q2495-E2499 VanDerWaalsContact O-CB 3.24Å; Q2495-E2499 WeakPolarHBondContact O-CB 3.46Å; Q2495-E2499 PolarHBondContact O-N 2.78Å; Q2495-E2499 PolarHBondContact OE1-OE1 3.15Å; Q2495-T2741 HydrophobicContact CB-CG2 4.17Å; Q2495-T2741 HydrophobicContact CG-CG2 4.08Å; Q2495-Y2747 VanDerWaalsContact OE1-CE2 3.3Å; Q2495-Y2747 PolarHBondContact OE1-OH 3.34Å |
| 2496 | F | 79.3 | Confident | 76 | Confident | 13 Ų | 13 | 31.8 Ų | 31.8 | 6% | 0.057 | 18% | 0.175 | C | C | . | . | I | π-helix | trans | -64.1 | -48.6 | 177.7 | 175.3 | -100.9 | 0 | 0 | 0 | 111.5 | Y2267 L2298 S2493 R2494 K2500 L2501 L2737 | Y2267-F2496 HydrophobicContact CD1-CE1 4.33Å; Y2267-F2496 HydrophobicContact CD1-CZ 4.35Å; Y2267-F2496 HydrophobicContact CD2-CD1 4.46Å; Y2267-F2496 AromaticContact CD2-CE1 3.63Å; Y2267-F2496 HydrophobicContact CD2-CE1 3.63Å; Y2267-F2496 HydrophobicContact CD2-CZ 4.27Å; Y2267-F2496 HydrophobicContact CE2-CE1 4.12Å; Y2267-F2496 AromaticContact CG-CE1 3.77Å; Y2267-F2496 HydrophobicContact CG-CE1 3.77Å; Y2267-F2496 AromaticContact CG-CZ 3.93Å; Y2267-F2496 HydrophobicContact CG-CZ 3.93Å; L2298-F2496 HydrophobicContact CD1-CE2 4.07Å; S2493-F2496 WeakPolarHBondContact O-CB 3.44Å; S2493-F2496 PolarHBondContact O-N 3.06Å; S2493-F2496 VanDerWaalsContact O-N 3.08Å; R2494-F2496 VanDerWaalsContact C-N 3.31Å; R2494-F2496 PolarHBondContact O-N 3.07Å; F2496-K2500 HydrophobicContact CD2-CB 3.94Å; F2496-K2500 HydrophobicContact CD2-CG 4.02Å; F2496-K2500 HydrophobicContact CE2-CB 4.22Å; F2496-K2500 WeakPolarHBondContact O-CA 3.38Å; F2496-K2500 VanDerWaalsContact O-CB 3.26Å; F2496-K2500 WeakPolarHBondContact O-CB 3.32Å; F2496-K2500 PolarHBondContact O-N 2.99Å; F2496-L2501 HydrophobicContact CD1-CD1 4.14Å; F2496-L2501 HydrophobicContact CD1-CG 4.4Å; F2496-L2501 HydrophobicContact CE1-CD1 3.58Å; F2496-L2501 HydrophobicContact CE1-CD2 4.46Å; F2496-L2501 HydrophobicContact CE1-CG 3.91Å; F2496-L2501 HydrophobicContact CZ-CD1 4.23Å; F2496-L2501 HydrophobicContact CZ-CD2 4.3Å; F2496-L2501 HydrophobicContact CZ-CG 4.16Å; F2496-L2501 PolarHBondContact O-N 3.02Å; F2496-L2737 HydrophobicContact CB-CD2 3.61Å; F2496-L2737 HydrophobicContact CB-CG 4.19Å; F2496-L2737 HydrophobicContact CD1-CD2 4.12Å; F2496-L2737 HydrophobicContact CD2-CD2 3.62Å; F2496-L2737 HydrophobicContact CD2-CG 4.14Å; F2496-L2737 HydrophobicContact CE1-CD2 4.38Å; F2496-L2737 HydrophobicContact CE2-CD2 3.89Å; F2496-L2737 HydrophobicContact CG-CD2 3.51Å; F2496-L2737 VanDerWaalsContact CG-CD2 3.46Å; F2496-L2737 HydrophobicContact CG-CG 4.22Å; F2496-L2737 HydrophobicContact CZ-CD2 4.22Å |
| 2497 | F | 83.3 | Confident | 76 | Confident | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 16% | 0.162 | C | C | . | . | I | π-helix | trans | -65.1 | -45.7 | -179.8 | -73.7 | -73.4 | 0 | 0 | 0 | 112.3 | L2264 Y2267 W2409 L2485 Y2489 S2493 R2494 L2501 G2502 L2503 | L2264-F2497 HydrophobicContact CD2-CE2 4.28Å; L2264-F2497 HydrophobicContact CD2-CZ 4.38Å; Y2267-F2497 AromaticContact CE2-CE1 3.92Å; Y2267-F2497 HydrophobicContact CE2-CE1 3.95Å; Y2267-F2497 AromaticContact CE2-CZ 3.9Å; Y2267-F2497 HydrophobicContact CE2-CZ 3.9Å; W2409-F2497 HydrophobicContact CE3-CB 4.22Å; W2409-F2497 HydrophobicContact CE3-CD2 4.3Å; W2409-F2497 HydrophobicContact CE3-CG 4.48Å; W2409-F2497 HydrophobicContact CH2-CD2 4.45Å; W2409-F2497 HydrophobicContact CZ3-CB 4.34Å; W2409-F2497 AromaticContact CZ3-CD2 3.6Å; W2409-F2497 HydrophobicContact CZ3-CD2 3.6Å; W2409-F2497 HydrophobicContact CZ3-CE2 4.28Å; W2409-F2497 HydrophobicContact CZ3-CG 4.26Å; L2485-F2497 HydrophobicContact CD1-CB 4.4Å; L2485-F2497 HydrophobicContact CD1-CD1 4.15Å; L2485-F2497 HydrophobicContact CD1-CG 4.26Å; Y2489-F2497 AromaticContact CD1-CE2 3.87Å; Y2489-F2497 HydrophobicContact CD1-CE2 3.87Å; Y2489-F2497 AromaticContact CD1-CZ 3.86Å; Y2489-F2497 HydrophobicContact CD1-CZ 3.86Å; Y2489-F2497 AromaticContact CD2-CE2 3.99Å; Y2489-F2497 HydrophobicContact CD2-CE2 4.13Å; Y2489-F2497 AromaticContact CD2-CZ 3.88Å; Y2489-F2497 HydrophobicContact CD2-CZ 4.05Å; Y2489-F2497 HydrophobicContact CE1-CE2 4.25Å; Y2489-F2497 AromaticContact CE1-CZ 3.75Å; Y2489-F2497 HydrophobicContact CE1-CZ 3.75Å; Y2489-F2497 HydrophobicContact CE2-CE1 4.37Å; Y2489-F2497 HydrophobicContact CE2-CE2 4.4Å; Y2489-F2497 AromaticContact CE2-CZ 3.85Å; Y2489-F2497 HydrophobicContact CE2-CZ 3.97Å; Y2489-F2497 AromaticContact CG-CE2 3.8Å; Y2489-F2497 HydrophobicContact CG-CE2 3.8Å; Y2489-F2497 AromaticContact CG-CZ 3.92Å; Y2489-F2497 HydrophobicContact CG-CZ 4.01Å; Y2489-F2497 AromaticContact CZ-CZ 3.81Å; S2493-F2497 VanDerWaalsContact O-CD2 3.24Å; S2493-F2497 WeakPolarHBondContact O-CD2 3.36Å; S2493-F2497 PolarHBondContact O-N 3.19Å; S2493-F2497 VanDerWaalsContact O-N 3.16Å; R2494-F2497 PolarHBondContact O-N 2.99Å; F2497-L2501 HydrophobicContact CD1-CD1 3.64Å; F2497-L2501 HydrophobicContact CE1-CD1 3.99Å; F2497-L2501 CarbonylContact O-C 3.5Å; F2497-L2501 WeakPolarHBondContact O-CB 3.39Å; F2497-L2501 PolarHBondContact O-N 3.12Å; F2497-G2502 PolarHBondContact O-N 3.19Å; F2497-G2502 VanDerWaalsContact O-N 3.15Å; F2497-L2503 HydrophobicContact CB-CD1 3.83Å; F2497-L2503 HydrophobicContact CD1-CD1 3.53Å; F2497-L2503 VanDerWaalsContact CD1-CD1 3.46Å; F2497-L2503 HydrophobicContact CE1-CD1 4.49Å; F2497-L2503 HydrophobicContact CG-CD1 4.13Å; F2497-L2503 WeakPolarHBondContact O-CB 3.27Å; F2497-L2503 WeakPolarHBondContact O-CG 3.39Å; F2497-L2503 PolarHBondContact O-N 3.33Å |
| 2498 | I | 75.2 | Confident | 76 | Confident | 7.25 Ų | 7.25 | 24.9 Ų | 24.9 | 4% | 0.037 | 14% | 0.141 | C | C | . | . | I | π-helix | trans | -76.3 | -48.9 | -176.3 | -62 | 176 | 0 | 0 | 0 | 111.4 | W2409 R2494 G2502 T2567 | W2409-I2498 HydrophobicContact CB-CD1 3.97Å; W2409-I2498 HydrophobicContact CB-CG1 4.27Å; W2409-I2498 HydrophobicContact CG-CD1 4.07Å; R2494-I2498 HydrophobicContact CG-CD1 3.53Å; R2494-I2498 HydrophobicContact CG-CG1 4.34Å; R2494-I2498 WeakPolarHBondContact O-CB 3.33Å; R2494-I2498 WeakPolarHBondContact O-CG1 3.31Å; R2494-I2498 PolarHBondContact O-N 3.08Å; I2498-G2502 VanDerWaalsContact O-CA 3.23Å; I2498-G2502 WeakPolarHBondContact O-CA 3.35Å; I2498-G2502 PolarHBondContact O-N 3.01Å; I2498-G2502 VanDerWaalsContact O-N 3.15Å; I2498-T2567 HydrophobicContact CG2-CG2 4.49Å |
| 2499 | E | 69.9 | Low | 76.1 | Confident | 34.75 Ų | 34.75 | 24.1 Ų | 24.1 | 16% | 0.162 | 14% | 0.135 | C | C | . | . | I | π-helix | trans | -86.1 | -46.4 | -172.8 | -59.5 | -165.3 | 155.6 | 0 | 0 | 113.3 | R2299 Q2495 Y2747 | R2299-E2499 PolarHBondContact NH2-O 3.26Å; Q2495-E2499 VanDerWaalsContact CD-OE2 3.29Å; Q2495-E2499 HydrophobicContact CG-CG 4.22Å; Q2495-E2499 WeakPolarHBondContact CG-OE2 3.23Å; Q2495-E2499 PolarHBondContact NE2-OE1 2.99Å; Q2495-E2499 PolarHBondContact NE2-OE2 3.1Å; Q2495-E2499 WeakPolarHBondContact O-CA 3.46Å; Q2495-E2499 VanDerWaalsContact O-CB 3.24Å; Q2495-E2499 WeakPolarHBondContact O-CB 3.46Å; Q2495-E2499 PolarHBondContact O-N 2.78Å; Q2495-E2499 PolarHBondContact OE1-OE1 3.15Å; E2499-Y2747 WeakPolarHBondContact OE1-CE2 3.18Å; E2499-Y2747 PolarHBondContact OE1-OH 3.05Å |
| 2500 | K | 74.5 | Confident | 75.8 | Confident | 28.5 Ų | 28.5 | 25.1 Ų | 25.1 | 12% | 0.124 | 14% | 0.141 | C | C | . | . | I | π-helix | trans | -80.7 | -50.3 | -175 | -54.7 | -64.8 | -177.4 | 178.3 | 0 | 110.1 | T2295 L2298 R2299 F2496 F2740 | T2295-K2500 HydrophobicContact CG2-CB 4.41Å; T2295-K2500 HydrophobicContact CG2-CD 3.52Å; T2295-K2500 VanDerWaalsContact CG2-CD 3.48Å; T2295-K2500 WeakPolarHBondContact CG2-O 3.43Å; L2298-K2500 HydrophobicContact CD1-CB 4.4Å; R2299-K2500 VanDerWaalsContact CG-O 3.29Å; R2299-K2500 WeakPolarHBondContact CG-O 3.28Å; R2299-K2500 PolarHBondContact NE-O 3.13Å; F2496-K2500 HydrophobicContact CD2-CB 3.94Å; F2496-K2500 HydrophobicContact CD2-CG 4.02Å; F2496-K2500 HydrophobicContact CE2-CB 4.22Å; F2496-K2500 WeakPolarHBondContact O-CA 3.38Å; F2496-K2500 VanDerWaalsContact O-CB 3.26Å; F2496-K2500 WeakPolarHBondContact O-CB 3.32Å; F2496-K2500 PolarHBondContact O-N 2.99Å; K2500-F2740 PolarHBondContact NZ-O 3.3Å; K2500-F2740 VanDerWaalsContact NZ-O 3.16Å |
| 2501 | L | 78.5 | Confident | 75.9 | Confident | 3.5 Ų | 3.5 | 24.4 Ų | 24.4 | 2% | 0.018 | 13% | 0.13 | C | C | . | . | S | Bend | trans | -81.8 | -17.4 | 178.8 | -61.9 | -179.7 | 0 | 0 | 0 | 113.9 | L2298 R2299 F2302 A2303 I2310 F2496 F2497 L2503 | L2298-L2501 HydrophobicContact CB-CD2 4.21Å; R2299-L2501 WeakPolarHBondContact CG-O 3.5Å; F2302-L2501 HydrophobicContact CB-CD2 3.8Å; A2303-L2501 HydrophobicContact CB-CB 4.23Å; A2303-L2501 HydrophobicContact CB-CD2 4.32Å; A2303-L2501 WeakPolarHBondContact CB-O 3.3Å; I2310-L2501 HydrophobicContact CD1-CD1 4.45Å; F2496-L2501 HydrophobicContact CD1-CD1 4.14Å; F2496-L2501 HydrophobicContact CD1-CG 4.4Å; F2496-L2501 HydrophobicContact CE1-CD1 3.58Å; F2496-L2501 HydrophobicContact CE1-CD2 4.46Å; F2496-L2501 HydrophobicContact CE1-CG 3.91Å; F2496-L2501 HydrophobicContact CZ-CD1 4.23Å; F2496-L2501 HydrophobicContact CZ-CD2 4.3Å; F2496-L2501 HydrophobicContact CZ-CG 4.16Å; F2496-L2501 PolarHBondContact O-N 3.02Å; F2497-L2501 HydrophobicContact CD1-CD1 3.64Å; F2497-L2501 HydrophobicContact CE1-CD1 3.99Å; F2497-L2501 CarbonylContact O-C 3.5Å; F2497-L2501 WeakPolarHBondContact O-CB 3.39Å; F2497-L2501 PolarHBondContact O-N 3.12Å; L2501-L2503 HydrophobicContact CB-CD1 4.05Å; L2501-L2503 HydrophobicContact CB-CG 4.12Å; L2501-L2503 HydrophobicContact CD1-CD1 4.3Å |
| 2502 | G | 72.4 | Confident | 76.3 | Confident | 18.25 Ų | 18.25 | 20.5 Ų | 20.5 | 19% | 0.188 | 10% | 0.103 | C | C | . | . | trans | 76.3 | 23.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | F2497 I2498 | F2497-G2502 PolarHBondContact O-N 3.19Å; F2497-G2502 VanDerWaalsContact O-N 3.15Å; I2498-G2502 VanDerWaalsContact O-CA 3.23Å; I2498-G2502 WeakPolarHBondContact O-CA 3.35Å; I2498-G2502 PolarHBondContact O-N 3.01Å; I2498-G2502 VanDerWaalsContact O-N 3.15Å | ||
| 2503 | L | 79.9 | Confident | 76.8 | Confident | 1.25 Ų | 1.25 | 15.9 Ų | 15.9 | 1% | 0.007 | 8% | 0.081 | C | C | . | . | trans | -72.2 | 146.2 | 177.2 | -73.6 | 153.6 | 0 | 0 | 0 | 111.5 | I2310 I2404 V2407 L2485 F2497 L2501 | I2310-L2503 HydrophobicContact CD1-CD1 4.02Å; I2310-L2503 HydrophobicContact CD1-CD2 3.47Å; I2310-L2503 VanDerWaalsContact CD1-CD2 3.47Å; I2310-L2503 HydrophobicContact CD1-CG 4.3Å; I2310-L2503 HydrophobicContact CG1-CD2 4.41Å; I2404-L2503 HydrophobicContact CB-CD2 4.31Å; I2404-L2503 HydrophobicContact CD1-CD2 3.99Å; I2404-L2503 HydrophobicContact CD1-CG 4.1Å; I2404-L2503 HydrophobicContact CG1-CD2 3.83Å; I2404-L2503 HydrophobicContact CG1-CG 4.02Å; I2404-L2503 HydrophobicContact CG2-CD2 3.56Å; I2404-L2503 HydrophobicContact CG2-CG 4.28Å; V2407-L2503 HydrophobicContact CB-CD2 4.09Å; V2407-L2503 HydrophobicContact CG1-CD2 4.09Å; L2485-L2503 HydrophobicContact CD1-CD1 3.88Å; L2485-L2503 HydrophobicContact CD1-CD2 4.21Å; F2497-L2503 HydrophobicContact CB-CD1 3.83Å; F2497-L2503 HydrophobicContact CD1-CD1 3.53Å; F2497-L2503 VanDerWaalsContact CD1-CD1 3.46Å; F2497-L2503 HydrophobicContact CE1-CD1 4.49Å; F2497-L2503 HydrophobicContact CG-CD1 4.13Å; F2497-L2503 WeakPolarHBondContact O-CB 3.27Å; F2497-L2503 WeakPolarHBondContact O-CG 3.39Å; F2497-L2503 PolarHBondContact O-N 3.33Å; L2501-L2503 HydrophobicContact CB-CD1 4.05Å; L2501-L2503 HydrophobicContact CB-CG 4.12Å; L2501-L2503 HydrophobicContact CD1-CD1 4.3Å | ||
| 2504 | P | 78.4 | Confident | 76.7 | Confident | 13.25 Ų | 13.25 | 18.3 Ų | 18.3 | 9% | 0.086 | 10% | 0.101 | C | C | . | . | trans | -66.3 | 140.9 | 176.2 | 4.9 | -1.1 | 0 | 0 | 0 | 112 | V2407 W2409 R2481 | V2407-P2504 VanDerWaalsContact O-CG 3.26Å; V2407-P2504 WeakPolarHBondContact O-CG 3.38Å; W2409-P2504 PolarHBondContact N-O 3.2Å; R2481-P2504 VanDerWaalsContact CZ-CB 3.46Å; R2481-P2504 VanDerWaalsContact CZ-CG 3.46Å; R2481-P2504 VanDerWaalsContact NH1-CB 3.29Å | ||
| 2505 | S | 76.6 | Confident | 76.6 | Confident | 4.25 Ų | 4.25 | 17.9 Ų | 17.9 | 3% | 0.03 | 10% | 0.104 | C | C | . | . | S | Bend | trans | -73.7 | -35.5 | 179.8 | 56.4 | 0 | 0 | 0 | 0 | 112.9 | W2409 E2410 E2563 | W2409-S2505 WeakPolarHBondContact CB-O 3.32Å; W2409-S2505 PolarHBondContact N-O 3.11Å; E2410-S2505 PolarHBondContact N-O 3.11Å; E2410-S2505 VanDerWaalsContact N-O 3.1Å; S2505-E2563 VanDerWaalsContact CB-OE2 3.28Å; S2505-E2563 WeakPolarHBondContact CB-OE2 3.36Å; S2505-E2563 VanDerWaalsContact OG-CD 3.24Å; S2505-E2563 PolarHBondContact OG-OE2 3.08Å |
| 2506 | T | 78.9 | Confident | 77.1 | Confident | 8 Ų | 8 | 17.1 Ų | 17.1 | 5% | 0.049 | 10% | 0.099 | C | C | . | . | S | Bend | trans | -127.9 | 177.3 | -172.9 | 55.2 | 0 | 0 | 0 | 0 | 113 | C2408 E2410 V2412 R2481 Y2559 E2563 | C2408-T2506 VanDerWaalsContact CB-O 3.24Å; C2408-T2506 WeakPolarHBondContact CB-O 3.41Å; E2410-T2506 WeakPolarHBondContact O-CA 3.23Å; V2412-T2506 HydrophobicContact CG2-CG2 4.26Å; R2481-T2506 WeakPolarHBondContact CD-O 3.3Å; R2481-T2506 PolarHBondContact NH1-O 3.31Å; T2506-Y2559 HydrophobicContact CG2-CD1 4.43Å; T2506-Y2559 HydrophobicContact CG2-CE1 3.76Å; T2506-E2563 HydrophobicContact CG2-CB 4.23Å; T2506-E2563 HydrophobicContact CG2-CG 4.38Å |
| 2507 | S | 77.8 | Confident | 76.9 | Confident | 7.5 Ų | 7.5 | 17.1 Ų | 17.1 | 5% | 0.052 | 10% | 0.1 | C | C | . | . | trans | -55.1 | 160.7 | 166.1 | -68.7 | 0 | 0 | 0 | 0 | 112.8 | V2412 R2481 E2511 | V2412-S2507 PolarHBondContact N-OG 3.04Å; V2412-S2507 VanDerWaalsContact N-OG 3.12Å; R2481-S2507 PolarHBondContact NH1-O 2.88Å; S2507-E2511 VanDerWaalsContact CA-OE2 3.3Å; S2507-E2511 WeakPolarHBondContact CA-OE2 3.3Å; S2507-E2511 VanDerWaalsContact CB-OE2 3.31Å; S2507-E2511 WeakPolarHBondContact CB-OE2 3.33Å; S2507-E2511 PolarHBondContact OG-OE2 3.13Å; S2507-E2511 VanDerWaalsContact OG-OE2 3.1Å | ||
| 2508 | T | 76.9 | Confident | 76.4 | Confident | 13.25 Ų | 13.25 | 23.1 Ų | 23.1 | 8% | 0.081 | 13% | 0.132 | C | C | . | . | trans | -69.5 | 156 | 175.5 | 57.9 | 0 | 0 | 0 | 0 | 111.4 | N2478 R2481 D2510 E2511 I2512 E2564 | N2478-T2508 HydrophobicContact CB-CG2 4.32Å; R2481-T2508 HydrophobicContact CB-CG2 4.48Å; R2481-T2508 HydrophobicContact CG-CG2 3.88Å; R2481-T2508 VanDerWaalsContact CZ-CG2 3.48Å; R2481-T2508 VanDerWaalsContact NE-CG2 3.34Å; T2508-D2510 VanDerWaalsContact C-N 3.27Å; T2508-D2510 PolarHBondContact O-N 3.27Å; T2508-E2511 PolarHBondContact N-OE2 3.03Å; T2508-E2511 VanDerWaalsContact N-OE2 3.14Å; T2508-E2511 WeakPolarHBondContact O-CB 3.34Å; T2508-E2511 PolarHBondContact O-N 3Å; T2508-E2511 VanDerWaalsContact O-N 3.13Å; T2508-E2511 WeakPolarHBondContact OG1-CB 3.49Å; T2508-E2511 VanDerWaalsContact OG1-CD 3.27Å; T2508-E2511 WeakPolarHBondContact OG1-CG 3.31Å; T2508-E2511 PolarHBondContact OG1-N 3.08Å; T2508-E2511 PolarHBondContact OG1-OE2 3.12Å; T2508-I2512 WeakPolarHBondContact O-CD1 3.37Å; T2508-I2512 WeakPolarHBondContact O-CG1 3.38Å; T2508-I2512 PolarHBondContact O-N 2.93Å; T2508-I2512 VanDerWaalsContact O-N 3.14Å; T2508-E2564 WeakPolarHBondContact CA-OE1 3.44Å | ||
| 2509 | I | 77.9 | Confident | 76.1 | Confident | 9 Ų | 9 | 24.6 Ų | 24.6 | 5% | 0.046 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -53.6 | -40.6 | 171 | -74.1 | 161.3 | 0 | 0 | 0 | 111.7 | E2511 I2512 L2513 L2561 E2564 Q2610 Y2613 I2614 | I2509-E2511 VanDerWaalsContact C-N 3.34Å; I2509-E2511 PolarHBondContact O-N 3.19Å; I2509-I2512 PolarHBondContact O-N 3.19Å; I2509-I2512 VanDerWaalsContact O-N 3.12Å; I2509-L2513 HydrophobicContact CG2-CD1 3.83Å; I2509-L2513 HydrophobicContact CG2-CG 4.09Å; I2509-L2513 VanDerWaalsContact O-CG 3.31Å; I2509-L2513 WeakPolarHBondContact O-CG 3.22Å; I2509-L2513 PolarHBondContact O-N 2.94Å; I2509-L2561 HydrophobicContact CD1-CD2 3.98Å; I2509-E2564 HydrophobicContact CD1-CB 4.35Å; I2509-E2564 HydrophobicContact CD1-CG 4.34Å; I2509-E2564 VanDerWaalsContact CD1-OE2 3.28Å; I2509-E2564 WeakPolarHBondContact CD1-OE2 3.23Å; I2509-E2564 WeakPolarHBondContact CG1-OE2 3.26Å; I2509-E2564 PolarHBondContact N-OE2 3.06Å; I2509-E2564 VanDerWaalsContact N-OE2 3.1Å; I2509-Q2610 HydrophobicContact CD1-CB 3.63Å; I2509-Q2610 HydrophobicContact CD1-CG 3.68Å; I2509-Y2613 HydrophobicContact CG2-CD1 4.32Å; I2509-Y2613 HydrophobicContact CG2-CE1 4.38Å; I2509-I2614 HydrophobicContact CD1-CD1 4.05Å; I2509-I2614 HydrophobicContact CG1-CD1 4.29Å; I2509-I2614 HydrophobicContact CG2-CD1 3.69Å; I2509-I2614 HydrophobicContact CG2-CG1 3.75Å |
| 2510 | D | 75.2 | Confident | 75.9 | Confident | 28.75 Ų | 28.75 | 24.2 Ų | 24.2 | 15% | 0.154 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -61.2 | -41.1 | 179.1 | -72.6 | -39.4 | 0 | 0 | 0 | 112.9 | V2474 T2476 I2477 N2478 T2508 I2512 L2513 A2514 Y2613 | V2474-D2510 HydrophobicContact CG1-CB 4.11Å; V2474-D2510 WeakPolarHBondContact CG1-OD1 3.43Å; T2476-D2510 WeakPolarHBondContact CA-OD2 3.38Å; T2476-D2510 HydrophobicContact CG2-CB 4.46Å; I2477-D2510 HydrophobicContact CD1-CB 4.45Å; I2477-D2510 HydrophobicContact CG1-CB 4.28Å; I2477-D2510 PolarHBondContact N-OD2 3.26Å; N2478-D2510 PolarHBondContact N-OD2 2.99Å; T2508-D2510 VanDerWaalsContact C-N 3.27Å; T2508-D2510 PolarHBondContact O-N 3.27Å; D2510-I2512 VanDerWaalsContact C-N 3.31Å; D2510-I2512 PolarHBondContact O-N 2.98Å; D2510-L2513 PolarHBondContact O-N 3.16Å; D2510-A2514 WeakPolarHBondContact O-CB 3.06Å; D2510-A2514 PolarHBondContact O-N 3.19Å; D2510-Y2613 WeakPolarHBondContact OD1-CE1 3.41Å; D2510-Y2613 VanDerWaalsContact OD1-CZ 3.26Å; D2510-Y2613 PolarHBondContact OD1-OH 3.11Å |
| 2511 | E | 74.9 | Confident | 75 | Confident | 14.75 Ų | 14.75 | 27.5 Ų | 27.5 | 7% | 0.069 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -63.6 | -38.9 | 175.1 | -73.5 | 171.1 | 150 | 0 | 0 | 111.5 | I2477 P2480 R2481 S2507 T2508 I2509 A2514 L2515 | I2477-E2511 HydrophobicContact CD1-CB 4.23Å; I2477-E2511 HydrophobicContact CD1-CG 4.01Å; I2477-E2511 HydrophobicContact CG2-CG 4.3Å; P2480-E2511 VanDerWaalsContact C-OE1 3.28Å; P2480-E2511 VanDerWaalsContact CA-OE1 3.29Å; P2480-E2511 WeakPolarHBondContact CA-OE1 3.29Å; P2480-E2511 HydrophobicContact CB-CG 4.31Å; P2480-E2511 VanDerWaalsContact CB-OE1 3.25Å; P2480-E2511 WeakPolarHBondContact CB-OE1 3.31Å; R2481-E2511 WeakPolarHBondContact CA-OE1 3.43Å; R2481-E2511 PolarHBondContact N-OE1 2.99Å; S2507-E2511 VanDerWaalsContact CA-OE2 3.3Å; S2507-E2511 WeakPolarHBondContact CA-OE2 3.3Å; S2507-E2511 VanDerWaalsContact CB-OE2 3.31Å; S2507-E2511 WeakPolarHBondContact CB-OE2 3.33Å; S2507-E2511 PolarHBondContact OG-OE2 3.13Å; S2507-E2511 VanDerWaalsContact OG-OE2 3.1Å; T2508-E2511 PolarHBondContact N-OE2 3.03Å; T2508-E2511 VanDerWaalsContact N-OE2 3.14Å; T2508-E2511 WeakPolarHBondContact O-CB 3.34Å; T2508-E2511 PolarHBondContact O-N 3Å; T2508-E2511 VanDerWaalsContact O-N 3.13Å; T2508-E2511 WeakPolarHBondContact OG1-CB 3.49Å; T2508-E2511 VanDerWaalsContact OG1-CD 3.27Å; T2508-E2511 WeakPolarHBondContact OG1-CG 3.31Å; T2508-E2511 PolarHBondContact OG1-N 3.08Å; T2508-E2511 PolarHBondContact OG1-OE2 3.12Å; I2509-E2511 VanDerWaalsContact C-N 3.34Å; I2509-E2511 PolarHBondContact O-N 3.19Å; E2511-A2514 WeakPolarHBondContact O-CB 3.3Å; E2511-A2514 PolarHBondContact O-N 3.28Å; E2511-L2515 WeakPolarHBondContact O-CG 3.34Å; E2511-L2515 PolarHBondContact O-N 3.19Å |
| 2512 | I | 78.2 | Confident | 73.7 | Confident | 0.25 Ų | 0.25 | 30.7 Ų | 30.7 | 0% | 0.001 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -71.9 | -38.9 | -180 | -61.5 | 160.3 | 0 | 0 | 0 | 110.9 | V2412 T2508 I2509 D2510 A2514 L2515 W2553 L2556 L2557 C2560 | V2412-I2512 HydrophobicContact CB-CG1 4.45Å; V2412-I2512 HydrophobicContact CG1-CG1 4.41Å; V2412-I2512 HydrophobicContact CG2-CD1 4.41Å; V2412-I2512 HydrophobicContact CG2-CG1 4.44Å; T2508-I2512 WeakPolarHBondContact O-CD1 3.37Å; T2508-I2512 WeakPolarHBondContact O-CG1 3.38Å; T2508-I2512 PolarHBondContact O-N 2.93Å; T2508-I2512 VanDerWaalsContact O-N 3.14Å; I2509-I2512 PolarHBondContact O-N 3.19Å; I2509-I2512 VanDerWaalsContact O-N 3.12Å; D2510-I2512 VanDerWaalsContact C-N 3.31Å; D2510-I2512 PolarHBondContact O-N 2.98Å; I2512-A2514 VanDerWaalsContact C-N 3.27Å; I2512-A2514 PolarHBondContact O-N 3.06Å; I2512-L2515 WeakPolarHBondContact O-CB 3.19Å; I2512-L2515 PolarHBondContact O-N 3.3Å; I2512-L2515 VanDerWaalsContact O-N 3.09Å; I2512-W2553 PolarHBondContact O-NE1 2.89Å; I2512-L2556 HydrophobicContact CG2-CD2 4.33Å; I2512-L2556 HydrophobicContact CG2-CG 4.34Å; I2512-L2557 HydrophobicContact CG2-CB 4.46Å; I2512-L2557 HydrophobicContact CG2-CD1 3.93Å; I2512-C2560 HydrophobicContact CD1-CB 3.26Å; I2512-C2560 WeakPolarHBondContact CD1-SG 3.46Å |
| 2513 | L | 80 | Confident | 72.5 | Confident | 2.5 Ų | 2.5 | 31.2 Ų | 31.2 | 1% | 0.013 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -64.1 | -33.3 | 174 | -68.8 | 176.7 | 0 | 0 | 0 | 111.7 | V2474 I2509 D2510 L2515 R2516 W2553 L2557 Y2613 I2614 F2617 I2619 | V2474-L2513 HydrophobicContact CG2-CB 4.47Å; I2509-L2513 HydrophobicContact CG2-CD1 3.83Å; I2509-L2513 HydrophobicContact CG2-CG 4.09Å; I2509-L2513 VanDerWaalsContact O-CG 3.31Å; I2509-L2513 WeakPolarHBondContact O-CG 3.22Å; I2509-L2513 PolarHBondContact O-N 2.94Å; D2510-L2513 PolarHBondContact O-N 3.16Å; L2513-L2515 VanDerWaalsContact C-N 3.25Å; L2513-L2515 PolarHBondContact O-N 2.94Å; L2513-R2516 WeakPolarHBondContact O-CB 3.38Å; L2513-R2516 PolarHBondContact O-N 3.18Å; L2513-W2553 HydrophobicContact CD2-CZ2 4.1Å; L2513-L2557 HydrophobicContact CD2-CD1 4.02Å; L2513-L2557 HydrophobicContact CD2-CD2 4.45Å; L2513-Y2613 HydrophobicContact CD1-CD1 4.27Å; L2513-Y2613 HydrophobicContact CD1-CE1 3.82Å; L2513-I2614 HydrophobicContact CD1-CG1 4.43Å; L2513-F2617 HydrophobicContact CB-CE1 4.34Å; L2513-F2617 HydrophobicContact CB-CE2 4.39Å; L2513-F2617 HydrophobicContact CB-CZ 4.2Å; L2513-F2617 HydrophobicContact CD1-CB 4.33Å; L2513-F2617 HydrophobicContact CD1-CD1 4.45Å; L2513-F2617 HydrophobicContact CD1-CD2 4.04Å; L2513-F2617 HydrophobicContact CD1-CE2 4.42Å; L2513-F2617 HydrophobicContact CD1-CG 4.03Å; L2513-F2617 HydrophobicContact CD2-CB 4.43Å; L2513-F2617 HydrophobicContact CD2-CD1 3.82Å; L2513-F2617 HydrophobicContact CD2-CE1 4.16Å; L2513-F2617 HydrophobicContact CD2-CG 4.14Å; L2513-F2617 HydrophobicContact CG-CG 4.48Å; L2513-I2619 HydrophobicContact CD2-CD1 4.43Å |
| 2514 | A | 74.1 | Confident | 70.8 | Confident | 54 Ų | 54 | 36.7 Ų | 36.7 | 45% | 0.446 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -66.9 | -23.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | V2474 I2477 D2510 E2511 I2512 R2516 | V2474-A2514 HydrophobicContact CB-CB 4.36Å; V2474-A2514 HydrophobicContact CG1-CB 3.43Å; V2474-A2514 VanDerWaalsContact CG1-CB 3.43Å; V2474-A2514 HydrophobicContact CG2-CB 4.15Å; I2477-A2514 HydrophobicContact CD1-CB 4.23Å; D2510-A2514 WeakPolarHBondContact O-CB 3.06Å; D2510-A2514 PolarHBondContact O-N 3.19Å; E2511-A2514 WeakPolarHBondContact O-CB 3.3Å; E2511-A2514 PolarHBondContact O-N 3.28Å; I2512-A2514 VanDerWaalsContact C-N 3.27Å; I2512-A2514 PolarHBondContact O-N 3.06Å; A2514-R2516 VanDerWaalsContact C-N 3.27Å; A2514-R2516 PolarHBondContact O-N 3.24Å |
| 2515 | L | 74.9 | Confident | 69 | Low | 62.25 Ų | 62.25 | 41 Ų | 41 | 33% | 0.326 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.1 | 9.9 | 176.3 | -63.7 | 172.1 | 0 | 0 | 0 | 113.5 | V2412 I2414 E2511 I2512 L2513 P2517 | V2412-L2515 HydrophobicContact CG1-CD1 4.32Å; I2414-L2515 HydrophobicContact CD1-CB 3.7Å; I2414-L2515 HydrophobicContact CD1-CD1 4.41Å; I2414-L2515 VanDerWaalsContact CD1-O 3.29Å; I2414-L2515 WeakPolarHBondContact CD1-O 3.43Å; I2414-L2515 HydrophobicContact CG1-CB 4.39Å; I2414-L2515 HydrophobicContact CG1-CD1 4.33Å; E2511-L2515 WeakPolarHBondContact O-CG 3.34Å; E2511-L2515 PolarHBondContact O-N 3.19Å; I2512-L2515 WeakPolarHBondContact O-CB 3.19Å; I2512-L2515 PolarHBondContact O-N 3.3Å; I2512-L2515 VanDerWaalsContact O-N 3.09Å; L2513-L2515 VanDerWaalsContact C-N 3.25Å; L2513-L2515 PolarHBondContact O-N 2.94Å; L2515-P2517 WeakPolarHBondContact O-CD 3.21Å |
| 2516 | R | 81.5 | Confident | 67.3 | Low | 34.5 Ų | 34.5 | 43.8 Ų | 43.8 | 13% | 0.13 | 26% | 0.255 | C | S | . | . | P | Polyproline II helix | trans | -54.2 | 126.2 | 179.5 | -174.8 | -179.6 | 66.8 | 176.3 | 4 | 110.9 | I2472 L2513 A2514 N2518 W2553 P2618 W2627 | I2472-R2516 VanDerWaalsContact CD1-NH1 3.28Å; I2472-R2516 VanDerWaalsContact CD1-NH2 3.32Å; L2513-R2516 WeakPolarHBondContact O-CB 3.38Å; L2513-R2516 PolarHBondContact O-N 3.18Å; A2514-R2516 VanDerWaalsContact C-N 3.27Å; A2514-R2516 PolarHBondContact O-N 3.24Å; R2516-N2518 PolarHBondContact O-N 2.91Å; R2516-W2553 HydrophobicContact CB-CH2 4.27Å; R2516-W2553 HydrophobicContact CB-CZ2 3.82Å; R2516-W2553 HydrophobicContact CG-CE3 4.43Å; R2516-W2553 HydrophobicContact CG-CH2 3.88Å; R2516-W2553 HydrophobicContact CG-CZ2 3.95Å; R2516-W2553 HydrophobicContact CG-CZ3 4.23Å; R2516-P2618 PolarHBondContact NH1-O 3.28Å; R2516-W2627 HydrophobicContact CG-CH2 4.25Å; R2516-W2627 HydrophobicContact CG-CZ2 4.35Å |
| 2517 | P | 76.4 | Confident | 65.3 | Low | 13.5 Ų | 13.5 | 49.5 Ų | 49.5 | 9% | 0.088 | 29% | 0.285 | C | S | . | . | P | Polyproline II helix | trans | -60.1 | 136 | 177.9 | -25 | 34.7 | 0 | 0 | 0 | 112.7 | L2515 F2546 R2549 L2550 W2553 | L2515-P2517 WeakPolarHBondContact O-CD 3.21Å; P2517-F2546 HydrophobicContact CB-CD2 4.17Å; P2517-F2546 HydrophobicContact CB-CE2 3.87Å; P2517-R2549 HydrophobicContact CB-CB 4.24Å; P2517-R2549 HydrophobicContact CG-CB 4.01Å; P2517-L2550 HydrophobicContact CG-CD1 4.47Å; P2517-W2553 HydrophobicContact CG-CB 4.16Å; P2517-W2553 HydrophobicContact CG-CG 4.44Å |
| 2518 | N | 72 | Confident | 63.6 | Low | 125 Ų | 125 | 57 Ų | 57 | 67% | 0.668 | 32% | 0.319 | S | S | * | . | P | Polyproline II helix | trans | -83.9 | 142.2 | 174.1 | -67.9 | -31.3 | 0 | 0 | 0 | 111 | R2516 F2546 | R2516-N2518 PolarHBondContact O-N 2.91Å; N2518-F2546 VanDerWaalsContact O-CD2 3.29Å; N2518-F2546 WeakPolarHBondContact O-CD2 3.3Å; N2518-F2546 WeakPolarHBondContact O-CE2 3.26Å |
| 2519 | L | 69.8 | Low | 62 | Low | 39.25 Ų | 39.25 | 63.5 Ų | 63.5 | 21% | 0.205 | 35% | 0.353 | C | S | . | . | P | Polyproline II helix | trans | -64.7 | 139 | 174.7 | -160.6 | 72.9 | 0 | 0 | 0 | 109.7 | L2458 S2521 F2523 F2546 L2621 | L2458-L2519 HydrophobicContact CD1-CD1 3.89Å; L2519-S2521 PolarHBondContact O-N 3.34Å; L2519-F2523 HydrophobicContact CD1-CE2 4.24Å; L2519-F2523 HydrophobicContact CD2-CB 4.39Å; L2519-F2523 HydrophobicContact CD2-CD1 4.43Å; L2519-F2523 HydrophobicContact CD2-CD2 4.04Å; L2519-F2523 HydrophobicContact CD2-CE2 4.27Å; L2519-F2523 HydrophobicContact CD2-CG 4.07Å; L2519-F2523 HydrophobicContact CG-CD2 4.07Å; L2519-F2523 HydrophobicContact CG-CE2 4.22Å; L2519-F2523 HydrophobicContact CG-CG 4.48Å; L2519-F2546 HydrophobicContact CD1-CD1 4.43Å; L2519-F2546 HydrophobicContact CD1-CE1 3.96Å; L2519-F2546 HydrophobicContact CD1-CE2 4.32Å; L2519-F2546 HydrophobicContact CD1-CZ 3.9Å; L2519-L2621 HydrophobicContact CD1-CD2 4.25Å |
| 2520 | P | 64.1 | Low | 60.3 | Low | 26.5 Ų | 26.5 | 68.8 Ų | 68.8 | 17% | 0.172 | 38% | 0.382 | C | S | . | . | P | Polyproline II helix | trans | -56.8 | 130 | 179 | -24.1 | 32.8 | 0 | 0 | 0 | 112.2 | N2522 F2523 F2546 | P2520-N2522 PolarHBondContact O-N 3.14Å; P2520-N2522 VanDerWaalsContact O-N 3.1Å; P2520-F2523 HydrophobicContact CB-CD2 4.33Å; P2520-F2523 HydrophobicContact CG-CE2 4.49Å; P2520-F2523 WeakPolarHBondContact O-CB 3.18Å; P2520-F2523 WeakPolarHBondContact O-CD2 3.29Å; P2520-F2523 PolarHBondContact O-N 3.32Å; P2520-F2523 VanDerWaalsContact O-N 3.14Å; P2520-F2546 HydrophobicContact CG-CB 4.11Å; P2520-F2546 HydrophobicContact CG-CG 4.46Å |
| 2521 | S | 56.6 | Low | 58.7 | Low | 97 Ų | 97 | 74.1 Ų | 74.1 | 68% | 0.678 | 42% | 0.415 | S | S | * | . | G | 310 helix | trans | -61.2 | -22.5 | -178.2 | 49.7 | 0 | 0 | 0 | 0 | 114.2 | L2519 F2523 T2524 | L2519-S2521 PolarHBondContact O-N 3.34Å; S2521-F2523 PolarHBondContact O-N 3.14Å; S2521-T2524 PolarHBondContact O-N 3.05Å; S2521-T2524 PolarHBondContact O-OG1 3.25Å; S2521-T2524 VanDerWaalsContact O-OG1 3.09Å |
| 2522 | N | 50.9 | Low | 57.3 | Low | 72.5 Ų | 72.5 | 78 Ų | 78 | 39% | 0.388 | 44% | 0.436 | S | S | . | . | G | 310 helix | trans | -66.3 | -3.8 | 178.6 | -67.4 | -4.4 | 0 | 0 | 0 | 113.7 | P2520 T2524 | P2520-N2522 PolarHBondContact O-N 3.14Å; P2520-N2522 VanDerWaalsContact O-N 3.1Å; N2522-T2524 VanDerWaalsContact C-N 3.29Å; N2522-T2524 PolarHBondContact O-N 3Å |
| 2523 | F | 47.2 | Very low | 55.8 | Low | 28 Ų | 28 | 86 Ų | 86 | 12% | 0.123 | 47% | 0.468 | C | S | . | . | G | 310 helix | trans | -60.3 | -33.9 | 174.1 | -111.5 | -88.7 | 0 | 0 | 0 | 113.9 | L2458 L2519 P2520 S2521 Y2539 L2543 | L2458-F2523 HydrophobicContact CB-CD1 4.47Å; L2458-F2523 HydrophobicContact CB-CE1 3.75Å; L2458-F2523 HydrophobicContact CB-CE2 4.39Å; L2458-F2523 HydrophobicContact CB-CZ 3.4Å; L2458-F2523 VanDerWaalsContact CB-CZ 3.4Å; L2458-F2523 HydrophobicContact CD1-CE1 4.06Å; L2458-F2523 HydrophobicContact CD1-CE2 3.96Å; L2458-F2523 HydrophobicContact CD1-CZ 3.54Å; L2458-F2523 HydrophobicContact CD2-CE1 4.47Å; L2458-F2523 HydrophobicContact CD2-CZ 4.13Å; L2458-F2523 HydrophobicContact CG-CE1 4.37Å; L2458-F2523 HydrophobicContact CG-CE2 4.43Å; L2458-F2523 HydrophobicContact CG-CZ 3.97Å; L2519-F2523 HydrophobicContact CD1-CE2 4.24Å; L2519-F2523 HydrophobicContact CD2-CB 4.39Å; L2519-F2523 HydrophobicContact CD2-CD1 4.43Å; L2519-F2523 HydrophobicContact CD2-CD2 4.04Å; L2519-F2523 HydrophobicContact CD2-CE2 4.27Å; L2519-F2523 HydrophobicContact CD2-CG 4.07Å; L2519-F2523 HydrophobicContact CG-CD2 4.07Å; L2519-F2523 HydrophobicContact CG-CE2 4.22Å; L2519-F2523 HydrophobicContact CG-CG 4.48Å; P2520-F2523 HydrophobicContact CB-CD2 4.33Å; P2520-F2523 HydrophobicContact CG-CE2 4.49Å; P2520-F2523 WeakPolarHBondContact O-CB 3.18Å; P2520-F2523 WeakPolarHBondContact O-CD2 3.29Å; P2520-F2523 PolarHBondContact O-N 3.32Å; P2520-F2523 VanDerWaalsContact O-N 3.14Å; S2521-F2523 PolarHBondContact O-N 3.14Å; F2523-Y2539 AromaticContact CD2-CE2 3.9Å; F2523-Y2539 HydrophobicContact CD2-CE2 4.01Å; F2523-Y2539 HydrophobicContact CE1-CE2 4.08Å; F2523-Y2539 WeakPolarHBondContact CE1-OH 3.24Å; F2523-Y2539 AromaticContact CE2-CE2 3.76Å; F2523-Y2539 HydrophobicContact CE2-CE2 3.84Å; F2523-Y2539 AromaticContact CE2-CZ 3.88Å; F2523-Y2539 WeakPolarHBondContact CE2-OH 3.33Å; F2523-Y2539 HydrophobicContact CG-CE2 4.5Å; F2523-Y2539 AromaticContact CZ-CE2 3.75Å; F2523-Y2539 HydrophobicContact CZ-CE2 4.13Å; F2523-Y2539 AromaticContact CZ-CZ 3.9Å; F2523-Y2539 WeakPolarHBondContact CZ-OH 3.29Å; F2523-L2543 HydrophobicContact CE2-CD1 4.13Å; F2523-L2543 HydrophobicContact CZ-CD1 4.38Å |
| 2524 | T | 44.7 | Very low | 54.2 | Low | 116.75 Ų | 116.75 | 94.5 Ų | 94.5 | 72% | 0.716 | 50% | 0.5 | S | S | * | . | S | Bend | trans | -90.1 | -16.7 | -173.6 | 44.8 | 0 | 0 | 0 | 0 | 114.2 | S2521 N2522 | S2521-T2524 PolarHBondContact O-N 3.05Å; S2521-T2524 PolarHBondContact O-OG1 3.25Å; S2521-T2524 VanDerWaalsContact O-OG1 3.09Å; N2522-T2524 VanDerWaalsContact C-N 3.29Å; N2522-T2524 PolarHBondContact O-N 3Å |
| 2525 | T | 40.1 | Very low | 53.2 | Low | 103 Ų | 103 | 94.5 Ų | 94.5 | 63% | 0.632 | 49% | 0.494 | S | S | * | . | trans | -102.7 | 4.5 | -168.9 | 38 | 0 | 0 | 0 | 0 | 115.1 | N2527 | T2525-N2527 PolarHBondContact O-N 3.18Š| ||
| 2526 | M | 40.4 | Very low | 52.2 | Low | 62.5 Ų | 62.5 | 94.9 Ų | 94.9 | 31% | 0.308 | 50% | 0.502 | S | S | . | . | trans | -73.6 | 67.5 | 171.8 | -77.6 | -70.4 | -175.1 | 0 | 0 | 111.2 | N2460 H2528 T2535 Y2539 | N2460-M2526 PolarHBondContact ND2-O 2.97Å; N2460-M2526 VanDerWaalsContact ND2-O 3.16Å; M2526-H2528 PolarHBondContact O-N 2.96Å; M2526-T2535 HydrophobicContact CE-CG2 3.74Å; M2526-T2535 VanDerWaalsContact CE-CG2 3.42Å; M2526-T2535 VanDerWaalsContact CE-O 3.32Å; M2526-T2535 WeakPolarHBondContact CE-O 3.22Å; M2526-T2535 HydrophobicContact SD-CG2 3.92Å; M2526-Y2539 HydrophobicContact CE-CD2 4.33Å; M2526-Y2539 HydrophobicContact CE-CG 4.32Å | ||
| 2527 | N | 37.9 | Very low | 51.1 | Low | 129.75 Ų | 129.75 | 95.7 Ų | 95.7 | 69% | 0.694 | 51% | 0.513 | S | S | * | . | trans | -75.2 | 125.1 | 167.4 | -123.1 | -12.4 | 0 | 0 | 0 | 108.2 | T2525 N2529 N2530 | T2525-N2527 PolarHBondContact O-N 3.18Å; N2527-N2529 PolarHBondContact O-N 3.23Å; N2527-N2530 PolarHBondContact O-N 2.92Å; N2527-N2530 VanDerWaalsContact O-N 3.14Å | ||
| 2528 | H | 42.5 | Very low | 50.4 | Low | 164.75 Ų | 164.75 | 99.5 Ų | 99.5 | 76% | 0.763 | 53% | 0.532 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -38.8 | 17.6 | -176.4 | -87.4 | -67.2 | 0 | 0 | 0 | 117.2 | M2526 N2530 | M2526-H2528 PolarHBondContact O-N 2.96Å; H2528-N2530 PolarHBondContact O-N 3.35Å; H2528-N2530 VanDerWaalsContact O-N 3.12Å |
| 2529 | N | 43.3 | Very low | 50 | Low | 148.25 Ų | 148.25 | 95.6 Ų | 95.6 | 79% | 0.793 | 51% | 0.508 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.3 | 2.8 | 175.5 | -67.2 | -6.6 | 0 | 0 | 0 | 116.5 | N2527 | N2527-N2529 PolarHBondContact O-N 3.23Š|
| 2530 | N | 41.3 | Very low | 49.6 | Very low | 121.25 Ų | 121.25 | 94.4 Ų | 94.4 | 65% | 0.648 | 50% | 0.504 | S | S | * | . | trans | -113.6 | 87 | 171.7 | -119.2 | 4.7 | 0 | 0 | 0 | 111.1 | N2527 H2528 D2532 | N2527-N2530 PolarHBondContact O-N 2.92Å; N2527-N2530 VanDerWaalsContact O-N 3.14Å; H2528-N2530 PolarHBondContact O-N 3.35Å; H2528-N2530 VanDerWaalsContact O-N 3.12Å; N2530-D2532 PolarHBondContact O-N 2.99Å | ||
| 2531 | T | 42.3 | Very low | 49.8 | Very low | 139 Ų | 139 | 97.8 Ų | 97.8 | 85% | 0.853 | 52% | 0.516 | S | S | * | . | trans | -73.2 | 45 | 173.3 | 49.2 | 0 | 0 | 0 | 0 | 112.1 | Y2533 | T2531-Y2533 PolarHBondContact O-N 3.05Š| ||
| 2532 | D | 44.8 | Very low | 50.3 | Low | 97.25 Ų | 97.25 | 94.7 Ų | 94.7 | 52% | 0.52 | 49% | 0.494 | S | S | . | . | trans | -77.8 | 117.6 | 170.8 | -90 | -20.4 | 0 | 0 | 0 | 108.8 | N2530 R2534 T2535 | N2530-D2532 PolarHBondContact O-N 2.99Å; D2532-R2534 PolarHBondContact O-N 3.28Å; D2532-R2534 VanDerWaalsContact O-N 3.1Å; D2532-T2535 WeakPolarHBondContact CB-OG1 3.34Å; D2532-T2535 WeakPolarHBondContact O-CB 3.44Å; D2532-T2535 PolarHBondContact O-N 3.03Å; D2532-T2535 PolarHBondContact O-OG1 3Å | ||
| 2533 | Y | 46.4 | Very low | 51.3 | Low | 169 Ų | 169 | 91.6 Ų | 91.6 | 66% | 0.663 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -52.2 | -32.3 | 177.6 | 131.9 | -89.3 | 0 | 0 | 0 | 112.4 | T2531 T2535 S2536 S2537 | T2531-Y2533 PolarHBondContact O-N 3.05Å; Y2533-T2535 VanDerWaalsContact C-N 3.3Å; Y2533-T2535 PolarHBondContact O-N 3.32Å; Y2533-S2536 PolarHBondContact O-N 3.01Å; Y2533-S2537 PolarHBondContact O-N 3.17Å; Y2533-S2537 VanDerWaalsContact O-N 3.13Å |
| 2534 | R | 46.8 | Very low | 52.5 | Low | 181.5 Ų | 181.5 | 94.2 Ų | 94.2 | 69% | 0.685 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -59.1 | -39.9 | 175.6 | -79.9 | -172.9 | 170.3 | -169.8 | -4.2 | 112.5 | D2532 S2536 S2537 I2538 | D2532-R2534 PolarHBondContact O-N 3.28Å; D2532-R2534 VanDerWaalsContact O-N 3.1Å; R2534-S2536 VanDerWaalsContact C-N 3.33Å; R2534-S2536 PolarHBondContact O-N 3.16Å; R2534-S2537 PolarHBondContact O-N 3.39Å; R2534-S2537 PolarHBondContact O-OG 3.45Å; R2534-S2537 VanDerWaalsContact O-OG 3.11Å; R2534-I2538 HydrophobicContact CB-CD1 4.48Å; R2534-I2538 WeakPolarHBondContact O-CB 3.3Å; R2534-I2538 VanDerWaalsContact O-CD1 3.27Å; R2534-I2538 WeakPolarHBondContact O-CD1 3.42Å; R2534-I2538 WeakPolarHBondContact O-CG1 3.43Å; R2534-I2538 PolarHBondContact O-N 3.09Å; R2534-I2538 VanDerWaalsContact O-N 3.12Å |
| 2535 | T | 53.8 | Low | 53.7 | Low | 53.5 Ų | 53.5 | 90.7 Ų | 90.7 | 33% | 0.328 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -67.9 | -36.6 | -178 | -16.2 | 0 | 0 | 0 | 0 | 111.4 | M2526 D2532 Y2533 Y2539 | M2526-T2535 HydrophobicContact CE-CG2 3.74Å; M2526-T2535 VanDerWaalsContact CE-CG2 3.42Å; M2526-T2535 VanDerWaalsContact CE-O 3.32Å; M2526-T2535 WeakPolarHBondContact CE-O 3.22Å; M2526-T2535 HydrophobicContact SD-CG2 3.92Å; D2532-T2535 WeakPolarHBondContact CB-OG1 3.34Å; D2532-T2535 WeakPolarHBondContact O-CB 3.44Å; D2532-T2535 PolarHBondContact O-N 3.03Å; D2532-T2535 PolarHBondContact O-OG1 3Å; Y2533-T2535 VanDerWaalsContact C-N 3.3Å; Y2533-T2535 PolarHBondContact O-N 3.32Å; T2535-Y2539 VanDerWaalsContact O-CB 3.29Å; T2535-Y2539 WeakPolarHBondContact O-CB 3.33Å; T2535-Y2539 PolarHBondContact O-N 3.23Å |
| 2536 | S | 54 | Low | 55.6 | Low | 71 Ų | 71 | 86.1 Ų | 86.1 | 50% | 0.497 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -68.5 | -41.8 | 177.2 | -118.6 | 0 | 0 | 0 | 0 | 112.4 | Y2533 R2534 Y2539 A2540 | Y2533-S2536 PolarHBondContact O-N 3.01Å; R2534-S2536 VanDerWaalsContact C-N 3.33Å; R2534-S2536 PolarHBondContact O-N 3.16Å; S2536-Y2539 WeakPolarHBondContact O-CB 3.35Å; S2536-Y2539 PolarHBondContact O-N 3.08Å; S2536-A2540 WeakPolarHBondContact O-CB 3.3Å; S2536-A2540 PolarHBondContact O-N 3.29Å |
| 2537 | S | 57.2 | Low | 57.3 | Low | 50.5 Ų | 50.5 | 83.5 Ų | 83.5 | 35% | 0.353 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -66.3 | -41.4 | 177.8 | 67.6 | 0 | 0 | 0 | 0 | 112.7 | Y2533 R2534 Y2539 A2540 K2541 | Y2533-S2537 PolarHBondContact O-N 3.17Å; Y2533-S2537 VanDerWaalsContact O-N 3.13Å; R2534-S2537 PolarHBondContact O-N 3.39Å; R2534-S2537 PolarHBondContact O-OG 3.45Å; R2534-S2537 VanDerWaalsContact O-OG 3.11Å; S2537-Y2539 VanDerWaalsContact C-N 3.33Å; S2537-Y2539 PolarHBondContact O-N 3.04Å; S2537-A2540 PolarHBondContact O-N 3.04Å; S2537-K2541 WeakPolarHBondContact O-CB 3.41Å; S2537-K2541 PolarHBondContact O-N 3.19Å |
| 2538 | I | 61.9 | Low | 59.1 | Low | 93.25 Ų | 93.25 | 80.3 Ų | 80.3 | 48% | 0.478 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -63.6 | -42.8 | 175.8 | -66.4 | 165.8 | 0 | 0 | 0 | 110.3 | R2534 K2541 S2542 | R2534-I2538 HydrophobicContact CB-CD1 4.48Å; R2534-I2538 WeakPolarHBondContact O-CB 3.3Å; R2534-I2538 VanDerWaalsContact O-CD1 3.27Å; R2534-I2538 WeakPolarHBondContact O-CD1 3.42Å; R2534-I2538 WeakPolarHBondContact O-CG1 3.43Å; R2534-I2538 PolarHBondContact O-N 3.09Å; R2534-I2538 VanDerWaalsContact O-N 3.12Å; I2538-K2541 PolarHBondContact O-N 3.14Å; I2538-S2542 WeakPolarHBondContact O-CB 3.25Å; I2538-S2542 PolarHBondContact O-N 2.87Å; I2538-S2542 PolarHBondContact O-OG 2.99Å |
| 2539 | Y | 62.9 | Low | 60.7 | Low | 42.75 Ų | 42.75 | 76.3 Ų | 76.3 | 17% | 0.168 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -60.1 | -51.7 | 176.2 | 172.9 | -96.8 | 0 | 0 | 0 | 111.8 | L2458 F2523 M2526 T2535 S2536 S2537 K2541 S2542 L2543 | L2458-Y2539 PolarHBondContact O-OH 3.1Å; L2458-Y2539 VanDerWaalsContact O-OH 3.14Å; F2523-Y2539 AromaticContact CD2-CE2 3.9Å; F2523-Y2539 HydrophobicContact CD2-CE2 4.01Å; F2523-Y2539 HydrophobicContact CE1-CE2 4.08Å; F2523-Y2539 WeakPolarHBondContact CE1-OH 3.24Å; F2523-Y2539 AromaticContact CE2-CE2 3.76Å; F2523-Y2539 HydrophobicContact CE2-CE2 3.84Å; F2523-Y2539 AromaticContact CE2-CZ 3.88Å; F2523-Y2539 WeakPolarHBondContact CE2-OH 3.33Å; F2523-Y2539 HydrophobicContact CG-CE2 4.5Å; F2523-Y2539 AromaticContact CZ-CE2 3.75Å; F2523-Y2539 HydrophobicContact CZ-CE2 4.13Å; F2523-Y2539 AromaticContact CZ-CZ 3.9Å; F2523-Y2539 WeakPolarHBondContact CZ-OH 3.29Å; M2526-Y2539 HydrophobicContact CE-CD2 4.33Å; M2526-Y2539 HydrophobicContact CE-CG 4.32Å; T2535-Y2539 VanDerWaalsContact O-CB 3.29Å; T2535-Y2539 WeakPolarHBondContact O-CB 3.33Å; T2535-Y2539 PolarHBondContact O-N 3.23Å; S2536-Y2539 WeakPolarHBondContact O-CB 3.35Å; S2536-Y2539 PolarHBondContact O-N 3.08Å; S2537-Y2539 VanDerWaalsContact C-N 3.33Å; S2537-Y2539 PolarHBondContact O-N 3.04Å; Y2539-K2541 VanDerWaalsContact C-N 3.29Å; Y2539-K2541 PolarHBondContact O-N 3.16Å; Y2539-S2542 PolarHBondContact O-N 3.15Å; Y2539-S2542 VanDerWaalsContact O-N 3.1Å; Y2539-S2542 PolarHBondContact O-OG 3.02Å; Y2539-L2543 HydrophobicContact CE1-CD1 4.28Å; Y2539-L2543 HydrophobicContact CE1-CD2 4.24Å; Y2539-L2543 PolarHBondContact O-N 3.23Å |
| 2540 | A | 63.2 | Low | 62.6 | Low | 14.75 Ų | 14.75 | 69.2 Ų | 69.2 | 12% | 0.122 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -60.3 | -39.8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | F2452 Q2455 S2536 S2537 L2543 Y2544 | F2452-A2540 HydrophobicContact CD1-CB 3.86Å; F2452-A2540 HydrophobicContact CE1-CB 3.86Å; F2452-A2540 HydrophobicContact CG-CB 4.37Å; F2452-A2540 HydrophobicContact CZ-CB 4.33Å; Q2455-A2540 PolarHBondContact NE2-O 3.14Å; Q2455-A2540 PolarHBondContact OE1-O 2.91Å; S2536-A2540 WeakPolarHBondContact O-CB 3.3Å; S2536-A2540 PolarHBondContact O-N 3.29Å; S2537-A2540 PolarHBondContact O-N 3.04Å; A2540-L2543 PolarHBondContact O-N 3.1Å; A2540-Y2544 WeakPolarHBondContact O-CB 3.37Å; A2540-Y2544 PolarHBondContact O-N 3.24Å |
| 2541 | K | 66.5 | Low | 64.4 | Low | 96.75 Ų | 96.75 | 63.7 Ų | 63.7 | 42% | 0.421 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -63.8 | -43.3 | 174.3 | -170.6 | 170.6 | -175.7 | 170 | 0 | 112.1 | Y2451 S2537 I2538 Y2539 L2543 Y2544 E2545 | Y2451-K2541 HydrophobicContact CE1-CG 4.47Å; S2537-K2541 WeakPolarHBondContact O-CB 3.41Å; S2537-K2541 PolarHBondContact O-N 3.19Å; I2538-K2541 PolarHBondContact O-N 3.14Å; Y2539-K2541 VanDerWaalsContact C-N 3.29Å; Y2539-K2541 PolarHBondContact O-N 3.16Å; K2541-L2543 VanDerWaalsContact C-N 3.3Å; K2541-L2543 PolarHBondContact O-N 3.15Å; K2541-Y2544 PolarHBondContact O-N 3.2Å; K2541-E2545 WeakPolarHBondContact O-CG 3.42Å; K2541-E2545 PolarHBondContact O-N 3.09Å; K2541-E2545 VanDerWaalsContact O-N 3.08Å |
| 2542 | S | 69 | Low | 66.3 | Low | 32.25 Ų | 32.25 | 60.4 Ų | 60.4 | 23% | 0.226 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -64 | -36.2 | 177.8 | 73.8 | 0 | 0 | 0 | 0 | 112.8 | I2538 Y2539 F2546 | I2538-S2542 WeakPolarHBondContact O-CB 3.25Å; I2538-S2542 PolarHBondContact O-N 2.87Å; I2538-S2542 PolarHBondContact O-OG 2.99Å; Y2539-S2542 PolarHBondContact O-N 3.15Å; Y2539-S2542 VanDerWaalsContact O-N 3.1Å; Y2539-S2542 PolarHBondContact O-OG 3.02Å; S2542-F2546 WeakPolarHBondContact O-CB 3.37Å; S2542-F2546 PolarHBondContact O-N 3.04Å |
| 2543 | L | 71.3 | Confident | 68.2 | Low | 8.75 Ų | 8.75 | 55.8 Ų | 55.8 | 5% | 0.046 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -72.7 | -39.4 | 178.3 | -167.1 | 74.4 | 0 | 0 | 0 | 111.8 | F2452 Q2455 C2456 L2458 F2523 Y2539 A2540 K2541 F2546 N2547 | F2452-L2543 HydrophobicContact CD1-CD2 4.11Å; F2452-L2543 HydrophobicContact CD1-CG 4.49Å; F2452-L2543 HydrophobicContact CE1-CB 3.79Å; F2452-L2543 HydrophobicContact CE1-CD2 3.38Å; F2452-L2543 HydrophobicContact CE1-CG 3.45Å; F2452-L2543 VanDerWaalsContact CE1-CG 3.45Å; F2452-L2543 HydrophobicContact CZ-CB 3.95Å; F2452-L2543 HydrophobicContact CZ-CD2 4.22Å; F2452-L2543 HydrophobicContact CZ-CG 3.77Å; Q2455-L2543 HydrophobicContact CB-CD2 4Å; C2456-L2543 HydrophobicContact CB-CD2 3.67Å; C2456-L2543 HydrophobicContact CB-CG 4.38Å; L2458-L2543 HydrophobicContact CB-CD1 4.47Å; L2458-L2543 HydrophobicContact CD1-CD1 3.65Å; L2458-L2543 HydrophobicContact CD1-CD2 4.28Å; L2458-L2543 HydrophobicContact CD1-CG 4.42Å; L2458-L2543 HydrophobicContact CG-CD1 4.32Å; F2523-L2543 HydrophobicContact CE2-CD1 4.13Å; F2523-L2543 HydrophobicContact CZ-CD1 4.38Å; Y2539-L2543 HydrophobicContact CE1-CD1 4.28Å; Y2539-L2543 HydrophobicContact CE1-CD2 4.24Å; Y2539-L2543 PolarHBondContact O-N 3.23Å; A2540-L2543 PolarHBondContact O-N 3.1Å; K2541-L2543 VanDerWaalsContact C-N 3.3Å; K2541-L2543 PolarHBondContact O-N 3.15Å; L2543-F2546 HydrophobicContact CD1-CD1 4.27Å; L2543-F2546 WeakPolarHBondContact O-CB 3.4Å; L2543-F2546 PolarHBondContact O-N 3.21Å; L2543-N2547 WeakPolarHBondContact O-CB 3.3Å; L2543-N2547 VanDerWaalsContact O-CG 3.31Å; L2543-N2547 PolarHBondContact O-N 3.09Å; L2543-N2547 PolarHBondContact O-ND2 2.98Å; L2543-N2547 PolarHBondContact O-OD1 3.41Å |
| 2544 | Y | 70.9 | Confident | 70.2 | Confident | 81.75 Ų | 81.75 | 47.8 Ų | 47.8 | 32% | 0.321 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -59.3 | -47.8 | 172.5 | 178.2 | -97.6 | 0 | 0 | 0 | 112 | Y2451 F2452 A2540 K2541 F2546 N2547 K2548 | Y2451-Y2544 AromaticContact CD1-CD1 3.61Å; Y2451-Y2544 HydrophobicContact CD1-CD1 3.61Å; Y2451-Y2544 AromaticContact CD1-CD2 3.9Å; Y2451-Y2544 HydrophobicContact CD1-CD2 3.9Å; Y2451-Y2544 HydrophobicContact CD1-CE1 4.14Å; Y2451-Y2544 HydrophobicContact CD1-CE2 4.28Å; Y2451-Y2544 AromaticContact CD1-CG 3.46Å; Y2451-Y2544 HydrophobicContact CD1-CG 3.46Å; Y2451-Y2544 VanDerWaalsContact CD1-CG 3.46Å; Y2451-Y2544 HydrophobicContact CD2-CE2 4.31Å; Y2451-Y2544 AromaticContact CE1-CD1 3.36Å; Y2451-Y2544 HydrophobicContact CE1-CD1 3.36Å; Y2451-Y2544 HydrophobicContact CE1-CD2 4.43Å; Y2451-Y2544 AromaticContact CE1-CE1 3.69Å; Y2451-Y2544 HydrophobicContact CE1-CE1 4.03Å; Y2451-Y2544 AromaticContact CE1-CG 3.76Å; Y2451-Y2544 HydrophobicContact CE1-CG 3.76Å; Y2451-Y2544 AromaticContact CG-CE2 3.85Å; Y2451-Y2544 HydrophobicContact CG-CE2 3.85Å; F2452-Y2544 HydrophobicContact CD2-CD2 4.15Å; F2452-Y2544 HydrophobicContact CE2-CD2 4.07Å; A2540-Y2544 WeakPolarHBondContact O-CB 3.37Å; A2540-Y2544 PolarHBondContact O-N 3.24Å; K2541-Y2544 PolarHBondContact O-N 3.2Å; Y2544-F2546 VanDerWaalsContact C-N 3.31Å; Y2544-F2546 PolarHBondContact O-N 3.21Å; Y2544-N2547 PolarHBondContact O-N 3.23Å; Y2544-N2547 VanDerWaalsContact O-N 3.16Å; Y2544-K2548 WeakPolarHBondContact O-CB 3.41Å; Y2544-K2548 PolarHBondContact O-N 3.02Å |
| 2545 | E | 71.2 | Confident | 72 | Confident | 42.25 Ų | 42.25 | 39.1 Ų | 39.1 | 20% | 0.197 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -62.5 | -38.8 | 176.6 | -71.1 | -61.5 | 159.5 | 0 | 0 | 112 | L2419 K2541 N2547 K2548 R2549 | L2419-E2545 HydrophobicContact CD2-CG 4.4Å; L2419-E2545 VanDerWaalsContact CD2-OE2 3.22Å; L2419-E2545 WeakPolarHBondContact CD2-OE2 3.48Å; K2541-E2545 WeakPolarHBondContact O-CG 3.42Å; K2541-E2545 PolarHBondContact O-N 3.09Å; K2541-E2545 VanDerWaalsContact O-N 3.08Å; E2545-N2547 VanDerWaalsContact C-N 3.34Å; E2545-N2547 PolarHBondContact O-N 2.94Å; E2545-K2548 PolarHBondContact O-N 3.16Å; E2545-R2549 VanDerWaalsContact O-CG 3.29Å; E2545-R2549 WeakPolarHBondContact O-CG 3.35Å; E2545-R2549 PolarHBondContact O-N 3.24Å |
| 2546 | F | 79.1 | Confident | 73.4 | Confident | 6.75 Ų | 6.75 | 36.8 Ų | 36.8 | 3% | 0.03 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -60.3 | -48.2 | 172.7 | 171.6 | -97.8 | 0 | 0 | 0 | 111.8 | P2517 N2518 L2519 P2520 S2542 L2543 Y2544 K2548 R2549 L2550 L2621 W2627 H2705 | P2517-F2546 HydrophobicContact CB-CD2 4.17Å; P2517-F2546 HydrophobicContact CB-CE2 3.87Å; N2518-F2546 VanDerWaalsContact O-CD2 3.29Å; N2518-F2546 WeakPolarHBondContact O-CD2 3.3Å; N2518-F2546 WeakPolarHBondContact O-CE2 3.26Å; L2519-F2546 HydrophobicContact CD1-CD1 4.43Å; L2519-F2546 HydrophobicContact CD1-CE1 3.96Å; L2519-F2546 HydrophobicContact CD1-CE2 4.32Å; L2519-F2546 HydrophobicContact CD1-CZ 3.9Å; P2520-F2546 HydrophobicContact CG-CB 4.11Å; P2520-F2546 HydrophobicContact CG-CG 4.46Å; S2542-F2546 WeakPolarHBondContact O-CB 3.37Å; S2542-F2546 PolarHBondContact O-N 3.04Å; L2543-F2546 HydrophobicContact CD1-CD1 4.27Å; L2543-F2546 WeakPolarHBondContact O-CB 3.4Å; L2543-F2546 PolarHBondContact O-N 3.21Å; Y2544-F2546 VanDerWaalsContact C-N 3.31Å; Y2544-F2546 PolarHBondContact O-N 3.21Å; F2546-K2548 VanDerWaalsContact C-N 3.31Å; F2546-K2548 PolarHBondContact O-N 3.23Å; F2546-R2549 WeakPolarHBondContact O-CB 3.36Å; F2546-R2549 PolarHBondContact O-N 3.18Å; F2546-R2549 VanDerWaalsContact O-N 3.14Å; F2546-L2550 HydrophobicContact CE1-CD2 4.04Å; F2546-L2550 HydrophobicContact CZ-CD2 4.27Å; F2546-L2550 WeakPolarHBondContact O-CB 3.34Å; F2546-L2550 PolarHBondContact O-N 3.15Å; F2546-L2621 HydrophobicContact CE1-CD2 3.71Å; F2546-L2621 HydrophobicContact CZ-CD2 3.88Å; F2546-W2627 HydrophobicContact CZ-CH2 4.36Å; F2546-W2627 AromaticContact CZ-CZ2 3.96Å; F2546-W2627 HydrophobicContact CZ-CZ2 4.14Å; F2546-H2705 AromaticContact CE1-CE1 3.92Å; F2546-H2705 AromaticContact CE1-NE2 3.58Å |
| 2547 | N | 76.7 | Confident | 74.9 | Confident | 7.5 Ų | 7.5 | 33.4 Ų | 33.4 | 4% | 0.04 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -62.8 | -39.1 | 179.3 | -73.4 | -19.3 | 0 | 0 | 0 | 112.4 | F2452 C2456 L2543 Y2544 E2545 R2549 L2550 S2551 H2705 | F2452-N2547 HydrophobicContact CE2-CB 4.49Å; F2452-N2547 WeakPolarHBondContact CE2-ND2 3.13Å; F2452-N2547 HydrophobicContact CZ-CB 4.44Å; F2452-N2547 WeakPolarHBondContact CZ-ND2 3.44Å; C2456-N2547 PolarHBondContact SG-ND2 3.45Å; L2543-N2547 WeakPolarHBondContact O-CB 3.3Å; L2543-N2547 VanDerWaalsContact O-CG 3.31Å; L2543-N2547 PolarHBondContact O-N 3.09Å; L2543-N2547 PolarHBondContact O-ND2 2.98Å; L2543-N2547 PolarHBondContact O-OD1 3.41Å; Y2544-N2547 PolarHBondContact O-N 3.23Å; Y2544-N2547 VanDerWaalsContact O-N 3.16Å; E2545-N2547 VanDerWaalsContact C-N 3.34Å; E2545-N2547 PolarHBondContact O-N 2.94Å; N2547-R2549 VanDerWaalsContact C-N 3.33Å; N2547-R2549 PolarHBondContact O-N 3.01Å; N2547-L2550 PolarHBondContact O-N 3.25Å; N2547-S2551 WeakPolarHBondContact O-CB 3.46Å; N2547-S2551 PolarHBondContact O-N 3.01Å; N2547-S2551 PolarHBondContact O-OG 3.08Å; N2547-S2551 VanDerWaalsContact O-OG 3.11Å; N2547-H2705 VanDerWaalsContact CG-CD2 3.45Å; N2547-H2705 PolarHBondContact ND2-CD2 3.41Å; N2547-H2705 PolarHBondContact ND2-NE2 3.39Å; N2547-H2705 PolarHBondContact OD1-CD2 2.89Å; N2547-H2705 VanDerWaalsContact OD1-CD2 3.3Å; N2547-H2705 PolarHBondContact OD1-CE1 3.48Å; N2547-H2705 PolarHBondContact OD1-ND1 2.92Å; N2547-H2705 PolarHBondContact OD1-NE2 3.27Å |
| 2548 | K | 75.6 | Confident | 76.2 | Confident | 63.5 Ų | 63.5 | 31.2 Ų | 31.2 | 28% | 0.276 | 14% | 0.144 | S | C | . | . | H | α-helix | trans | -61.8 | -46.1 | 173.9 | -172.2 | 177.3 | 178.1 | -178.7 | 0 | 110.5 | L2418 Y2544 E2545 F2546 L2550 S2551 H2552 | L2418-K2548 HydrophobicContact CD2-CD 3.86Å; Y2544-K2548 WeakPolarHBondContact O-CB 3.41Å; Y2544-K2548 PolarHBondContact O-N 3.02Å; E2545-K2548 PolarHBondContact O-N 3.16Å; F2546-K2548 VanDerWaalsContact C-N 3.31Å; F2546-K2548 PolarHBondContact O-N 3.23Å; K2548-L2550 VanDerWaalsContact C-N 3.32Å; K2548-L2550 PolarHBondContact O-N 3.14Å; K2548-S2551 PolarHBondContact O-N 3.13Å; K2548-S2551 PolarHBondContact O-OG 3.33Å; K2548-H2552 PolarHBondContact O-N 3.26Å; K2548-H2552 VanDerWaalsContact O-N 3.11Å; K2548-H2552 PolarHBondContact O-ND1 3.33Å |
| 2549 | R | 76.8 | Confident | 77.2 | Confident | 80 Ų | 80 | 27.4 Ų | 27.4 | 30% | 0.302 | 12% | 0.124 | S | C | . | . | H | α-helix | trans | -62.1 | -41.1 | 175.6 | -69.7 | 173.1 | -169.8 | -179.9 | 4.8 | 111.9 | L2418 L2419 P2517 E2545 F2546 N2547 H2552 W2553 | L2418-R2549 PolarHBondContact O-NE 3.24Å; L2418-R2549 PolarHBondContact O-NH2 3.42Å; L2419-R2549 HydrophobicContact CD1-CG 4.23Å; L2419-R2549 VanDerWaalsContact CD1-NE 3.29Å; L2419-R2549 VanDerWaalsContact CD2-NH2 3.26Å; L2419-R2549 VanDerWaalsContact CG-NH2 3.3Å; L2419-R2549 PolarHBondContact O-NH2 3.25Å; P2517-R2549 HydrophobicContact CB-CB 4.24Å; P2517-R2549 HydrophobicContact CG-CB 4.01Å; E2545-R2549 VanDerWaalsContact O-CG 3.29Å; E2545-R2549 WeakPolarHBondContact O-CG 3.35Å; E2545-R2549 PolarHBondContact O-N 3.24Å; F2546-R2549 WeakPolarHBondContact O-CB 3.36Å; F2546-R2549 PolarHBondContact O-N 3.18Å; F2546-R2549 VanDerWaalsContact O-N 3.14Å; N2547-R2549 VanDerWaalsContact C-N 3.33Å; N2547-R2549 PolarHBondContact O-N 3.01Å; R2549-H2552 PolarHBondContact O-N 3.08Å; R2549-W2553 VanDerWaalsContact O-CB 3.28Å; R2549-W2553 WeakPolarHBondContact O-CB 3.38Å; R2549-W2553 PolarHBondContact O-N 3.07Å |
| 2550 | L | 82.5 | Confident | 78.1 | Confident | 0.5 Ų | 0.5 | 25.4 Ų | 25.4 | 0% | 0.003 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -64.5 | -43.6 | 179.6 | -175 | 62.2 | 0 | 0 | 0 | 112.2 | P2517 F2546 N2547 K2548 H2552 W2553 Y2554 L2621 W2627 H2705 L2710 | P2517-L2550 HydrophobicContact CG-CD1 4.47Å; F2546-L2550 HydrophobicContact CE1-CD2 4.04Å; F2546-L2550 HydrophobicContact CZ-CD2 4.27Å; F2546-L2550 WeakPolarHBondContact O-CB 3.34Å; F2546-L2550 PolarHBondContact O-N 3.15Å; N2547-L2550 PolarHBondContact O-N 3.25Å; K2548-L2550 VanDerWaalsContact C-N 3.32Å; K2548-L2550 PolarHBondContact O-N 3.14Å; L2550-H2552 PolarHBondContact O-N 3.1Å; L2550-W2553 HydrophobicContact CD1-CE3 3.88Å; L2550-W2553 HydrophobicContact CD1-CZ3 4.32Å; L2550-W2553 WeakPolarHBondContact O-CB 3.43Å; L2550-W2553 PolarHBondContact O-N 3.29Å; L2550-Y2554 HydrophobicContact CD1-CD2 4.34Å; L2550-Y2554 HydrophobicContact CD1-CE1 4.25Å; L2550-Y2554 HydrophobicContact CD1-CE2 3.86Å; L2550-Y2554 HydrophobicContact CD2-CE2 3.96Å; L2550-Y2554 HydrophobicContact CG-CD2 4.07Å; L2550-Y2554 HydrophobicContact CG-CE2 3.56Å; L2550-Y2554 VanDerWaalsContact CG-CE2 3.49Å; L2550-Y2554 WeakPolarHBondContact O-CD2 3.35Å; L2550-Y2554 PolarHBondContact O-N 3.27Å; L2550-L2621 HydrophobicContact CD2-CD2 4.42Å; L2550-W2627 HydrophobicContact CD1-CH2 3.69Å; L2550-W2627 HydrophobicContact CD1-CZ3 4.25Å; L2550-H2705 VanDerWaalsContact CD2-CD2 3.41Å; L2550-H2705 WeakPolarHBondContact CD2-CD2 3.45Å; L2550-H2705 WeakPolarHBondContact CD2-CE1 3.48Å; L2550-H2705 VanDerWaalsContact CD2-NE2 3.26Å; L2550-H2705 WeakPolarHBondContact CD2-NE2 3.42Å; L2550-L2710 HydrophobicContact CB-CD2 4.42Å; L2550-L2710 HydrophobicContact CD2-CD2 4.34Å; L2550-L2710 HydrophobicContact CG-CD2 4.39Å |
| 2551 | S | 79.9 | Confident | 78.9 | Confident | 5.25 Ų | 5.25 | 24.8 Ų | 24.8 | 4% | 0.037 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -64.9 | -42.2 | 177.6 | 67.2 | 0 | 0 | 0 | 0 | 111.9 | N2547 K2548 W2553 Y2554 S2555 A2712 V2754 | N2547-S2551 WeakPolarHBondContact O-CB 3.46Å; N2547-S2551 PolarHBondContact O-N 3.01Å; N2547-S2551 PolarHBondContact O-OG 3.08Å; N2547-S2551 VanDerWaalsContact O-OG 3.11Å; K2548-S2551 PolarHBondContact O-N 3.13Å; K2548-S2551 PolarHBondContact O-OG 3.33Å; S2551-W2553 VanDerWaalsContact C-N 3.32Å; S2551-W2553 PolarHBondContact O-N 3.14Å; S2551-Y2554 PolarHBondContact O-N 3.14Å; S2551-S2555 PolarHBondContact O-N 3.14Å; S2551-S2555 PolarHBondContact O-OG 3.18Å; S2551-S2555 VanDerWaalsContact O-OG 3.13Å; S2551-A2712 VanDerWaalsContact OG-CB 3.27Å; S2551-A2712 WeakPolarHBondContact OG-CB 3.24Å; S2551-V2754 VanDerWaalsContact O-CG2 3.3Å; S2551-V2754 WeakPolarHBondContact O-CG2 3.29Å |
| 2552 | H | 81.5 | Confident | 79.4 | Confident | 69.25 Ų | 69.25 | 21.2 Ų | 21.2 | 32% | 0.321 | 10% | 0.096 | S | C | . | . | H | α-helix | trans | -64 | -39 | 174.2 | -71.8 | 77.4 | 0 | 0 | 0 | 111.5 | K2548 R2549 L2550 Y2554 S2555 L2556 | K2548-H2552 PolarHBondContact O-N 3.26Å; K2548-H2552 VanDerWaalsContact O-N 3.11Å; K2548-H2552 PolarHBondContact O-ND1 3.33Å; R2549-H2552 PolarHBondContact O-N 3.08Å; L2550-H2552 PolarHBondContact O-N 3.1Å; H2552-Y2554 PolarHBondContact O-N 3.1Å; H2552-S2555 WeakPolarHBondContact CA-OG 3.34Å; H2552-S2555 PolarHBondContact O-N 3.47Å; H2552-S2555 PolarHBondContact O-OG 3.16Å; H2552-L2556 VanDerWaalsContact O-CB 3.25Å; H2552-L2556 WeakPolarHBondContact O-CB 3.29Å; H2552-L2556 PolarHBondContact O-N 3.07Å |
| 2553 | W | 85.6 | Confident | 79.7 | Confident | 0.25 Ų | 0.25 | 20.9 Ų | 20.9 | 0% | 0.001 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -63.9 | -43.2 | 176.1 | -179.7 | 71.9 | 0 | 0 | 0 | 112.5 | I2512 L2513 R2516 P2517 R2549 L2550 S2551 L2556 L2557 I2619 W2627 | I2512-W2553 PolarHBondContact O-NE1 2.89Å; L2513-W2553 HydrophobicContact CD2-CZ2 4.1Å; R2516-W2553 HydrophobicContact CB-CH2 4.27Å; R2516-W2553 HydrophobicContact CB-CZ2 3.82Å; R2516-W2553 HydrophobicContact CG-CE3 4.43Å; R2516-W2553 HydrophobicContact CG-CH2 3.88Å; R2516-W2553 HydrophobicContact CG-CZ2 3.95Å; R2516-W2553 HydrophobicContact CG-CZ3 4.23Å; P2517-W2553 HydrophobicContact CG-CB 4.16Å; P2517-W2553 HydrophobicContact CG-CG 4.44Å; R2549-W2553 VanDerWaalsContact O-CB 3.28Å; R2549-W2553 WeakPolarHBondContact O-CB 3.38Å; R2549-W2553 PolarHBondContact O-N 3.07Å; L2550-W2553 HydrophobicContact CD1-CE3 3.88Å; L2550-W2553 HydrophobicContact CD1-CZ3 4.32Å; L2550-W2553 WeakPolarHBondContact O-CB 3.43Å; L2550-W2553 PolarHBondContact O-N 3.29Å; S2551-W2553 VanDerWaalsContact C-N 3.32Å; S2551-W2553 PolarHBondContact O-N 3.14Å; W2553-L2556 PolarHBondContact O-N 3Å; W2553-L2557 HydrophobicContact CH2-CD1 4.33Å; W2553-L2557 HydrophobicContact CZ2-CD1 4.01Å; W2553-L2557 WeakPolarHBondContact O-CB 3.28Å; W2553-L2557 PolarHBondContact O-N 3.29Å; W2553-I2619 HydrophobicContact CH2-CB 4.4Å; W2553-I2619 HydrophobicContact CH2-CG1 4.25Å; W2553-I2619 HydrophobicContact CH2-CG2 4.08Å; W2553-I2619 HydrophobicContact CZ3-CG2 4.04Å; W2553-W2627 HydrophobicContact CZ3-CZ3 4.31Å |
| 2554 | Y | 87.6 | Confident | 79.7 | Confident | 1 Ų | 1 | 21.4 Ų | 21.4 | 0% | 0.004 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -63.7 | -45.2 | 175.3 | -73.1 | -40.8 | 0 | 0 | 0 | 112.9 | L2550 S2551 H2552 L2556 L2557 D2558 I2619 L2710 V2754 L2757 L2758 | L2550-Y2554 HydrophobicContact CD1-CD2 4.34Å; L2550-Y2554 HydrophobicContact CD1-CE1 4.25Å; L2550-Y2554 HydrophobicContact CD1-CE2 3.86Å; L2550-Y2554 HydrophobicContact CD2-CE2 3.96Å; L2550-Y2554 HydrophobicContact CG-CD2 4.07Å; L2550-Y2554 HydrophobicContact CG-CE2 3.56Å; L2550-Y2554 VanDerWaalsContact CG-CE2 3.49Å; L2550-Y2554 WeakPolarHBondContact O-CD2 3.35Å; L2550-Y2554 PolarHBondContact O-N 3.27Å; S2551-Y2554 PolarHBondContact O-N 3.14Å; H2552-Y2554 PolarHBondContact O-N 3.1Å; Y2554-L2556 VanDerWaalsContact C-N 3.28Å; Y2554-L2556 PolarHBondContact O-N 3.26Å; Y2554-L2557 PolarHBondContact O-N 3.15Å; Y2554-D2558 PolarHBondContact O-N 3.05Å; Y2554-I2619 HydrophobicContact CD1-CG2 4.25Å; Y2554-I2619 HydrophobicContact CE1-CG2 3.62Å; Y2554-I2619 WeakPolarHBondContact CE1-O 3.28Å; Y2554-I2619 PolarHBondContact OH-O 2.93Å; Y2554-L2710 HydrophobicContact CD2-CD1 4.3Å; Y2554-L2710 HydrophobicContact CD2-CD2 4.44Å; Y2554-L2710 HydrophobicContact CE2-CD1 4.03Å; Y2554-L2710 HydrophobicContact CE2-CD2 4.43Å; Y2554-V2754 HydrophobicContact CD2-CG1 3.76Å; Y2554-V2754 HydrophobicContact CG-CG1 4.09Å; Y2554-L2757 HydrophobicContact CD1-CD2 3.62Å; Y2554-L2757 VanDerWaalsContact CD1-CD2 3.47Å; Y2554-L2757 HydrophobicContact CE1-CD2 4.3Å; Y2554-L2757 HydrophobicContact CG-CD2 4.16Å; Y2554-L2758 HydrophobicContact CD2-CD1 4.43Å; Y2554-L2758 HydrophobicContact CE1-CD2 4.4Å; Y2554-L2758 HydrophobicContact CE2-CD1 4.35Å |
| 2555 | S | 83.8 | Confident | 79.7 | Confident | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -65 | -35.6 | 178.6 | 59.2 | 0 | 0 | 0 | 0 | 112.1 | S2551 H2552 Y2559 A2712 G2752 | S2551-S2555 PolarHBondContact O-N 3.14Å; S2551-S2555 PolarHBondContact O-OG 3.18Å; S2551-S2555 VanDerWaalsContact O-OG 3.13Å; H2552-S2555 WeakPolarHBondContact CA-OG 3.34Å; H2552-S2555 PolarHBondContact O-N 3.47Å; H2552-S2555 PolarHBondContact O-OG 3.16Å; S2555-Y2559 PolarHBondContact O-N 3.24Å; S2555-Y2559 VanDerWaalsContact O-N 3.11Å; S2555-A2712 WeakPolarHBondContact CB-O 3.42Å; S2555-G2752 WeakPolarHBondContact CB-O 3.27Å; S2555-G2752 CarbonylContact O-C 3.56Å; S2555-G2752 VanDerWaalsContact O-CA 3.31Å; S2555-G2752 WeakPolarHBondContact O-CA 3.41Å |
| 2556 | L | 83.4 | Confident | 79.5 | Confident | 4.25 Ų | 4.25 | 19.5 Ų | 19.5 | 2% | 0.022 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -67.1 | -43.3 | 173.8 | 172.4 | 63.9 | 0 | 0 | 0 | 112.3 | V2412 I2414 I2512 H2552 W2553 Y2554 D2558 Y2559 C2560 Y2714 | V2412-L2556 HydrophobicContact CB-CD1 4.31Å; V2412-L2556 HydrophobicContact CG1-CD1 3.34Å; V2412-L2556 VanDerWaalsContact CG1-CD1 3.43Å; V2412-L2556 HydrophobicContact CG1-CD2 3.14Å; V2412-L2556 HydrophobicContact CG1-CG 3.66Å; V2412-L2556 HydrophobicContact CG2-CD1 4Å; I2414-L2556 HydrophobicContact CG1-CD2 4.2Å; I2512-L2556 HydrophobicContact CG2-CD2 4.33Å; I2512-L2556 HydrophobicContact CG2-CG 4.34Å; H2552-L2556 VanDerWaalsContact O-CB 3.25Å; H2552-L2556 WeakPolarHBondContact O-CB 3.29Å; H2552-L2556 PolarHBondContact O-N 3.07Å; W2553-L2556 PolarHBondContact O-N 3Å; Y2554-L2556 VanDerWaalsContact C-N 3.28Å; Y2554-L2556 PolarHBondContact O-N 3.26Å; L2556-D2558 VanDerWaalsContact C-N 3.32Å; L2556-D2558 PolarHBondContact O-N 3.35Å; L2556-Y2559 WeakPolarHBondContact O-CB 3.36Å; L2556-Y2559 PolarHBondContact O-N 3.27Å; L2556-C2560 WeakPolarHBondContact O-CB 3.43Å; L2556-C2560 PolarHBondContact O-N 3.28Å; L2556-C2560 PolarHBondContact O-SG 3.21Å; L2556-Y2714 HydrophobicContact CB-CD2 4.48Å; L2556-Y2714 HydrophobicContact CB-CG 4.39Å; L2556-Y2714 HydrophobicContact CD1-CD1 3.92Å; L2556-Y2714 HydrophobicContact CD1-CD2 4.29Å; L2556-Y2714 HydrophobicContact CD1-CE1 3.64Å; L2556-Y2714 HydrophobicContact CD1-CE2 4.05Å; L2556-Y2714 HydrophobicContact CD1-CG 4.23Å |
| 2557 | L | 85.2 | Confident | 78.7 | Confident | 0.75 Ų | 0.75 | 20.1 Ų | 20.1 | 0% | 0.004 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -62 | -41.6 | 177.5 | -172.1 | 84.3 | 0 | 0 | 0 | 111.2 | I2512 L2513 W2553 Y2554 C2560 L2561 I2614 I2619 L2757 | I2512-L2557 HydrophobicContact CG2-CB 4.46Å; I2512-L2557 HydrophobicContact CG2-CD1 3.93Å; L2513-L2557 HydrophobicContact CD2-CD1 4.02Å; L2513-L2557 HydrophobicContact CD2-CD2 4.45Å; W2553-L2557 HydrophobicContact CH2-CD1 4.33Å; W2553-L2557 HydrophobicContact CZ2-CD1 4.01Å; W2553-L2557 WeakPolarHBondContact O-CB 3.28Å; W2553-L2557 PolarHBondContact O-N 3.29Å; Y2554-L2557 PolarHBondContact O-N 3.15Å; L2557-C2560 PolarHBondContact O-N 3.21Å; L2557-L2561 HydrophobicContact CD2-CD1 3.74Å; L2557-L2561 HydrophobicContact CD2-CG 4.3Å; L2557-L2561 HydrophobicContact CG-CD1 4.48Å; L2557-L2561 VanDerWaalsContact O-CB 3.29Å; L2557-L2561 WeakPolarHBondContact O-CB 3.33Å; L2557-L2561 WeakPolarHBondContact O-CG 3.28Å; L2557-L2561 PolarHBondContact O-N 3.03Å; L2557-I2614 HydrophobicContact CD1-CD1 4.15Å; L2557-I2614 HydrophobicContact CD2-CG2 4.37Å; L2557-I2614 HydrophobicContact CG-CD1 4.48Å; L2557-I2619 HydrophobicContact CD2-CD1 4.14Å; L2557-I2619 HydrophobicContact CD2-CG2 4.46Å; L2557-L2757 HydrophobicContact CB-CD2 4.41Å; L2557-L2757 HydrophobicContact CD2-CD1 4.32Å; L2557-L2757 HydrophobicContact CD2-CD2 4.01Å |
| 2558 | D | 85 | Confident | 78.1 | Confident | 2.75 Ų | 2.75 | 23.1 Ų | 23.1 | 2% | 0.015 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -59.2 | -48.3 | 173.2 | -170 | 42.1 | 0 | 0 | 0 | 112.1 | Y2554 L2556 C2560 L2561 H2562 G2752 T2753 L2757 L2761 | Y2554-D2558 PolarHBondContact O-N 3.05Å; L2556-D2558 VanDerWaalsContact C-N 3.32Å; L2556-D2558 PolarHBondContact O-N 3.35Å; D2558-C2560 PolarHBondContact O-N 3.27Å; D2558-L2561 WeakPolarHBondContact O-CB 3.48Å; D2558-L2561 PolarHBondContact O-N 2.95Å; D2558-H2562 PolarHBondContact O-N 3.2Å; D2558-H2562 VanDerWaalsContact O-N 3.17Å; D2558-H2562 PolarHBondContact O-ND1 3.09Å; D2558-H2562 IonicContact OD1-CE1 3.41Å; D2558-H2562 PolarHBondContact OD1-CE1 3.22Å; D2558-H2562 VanDerWaalsContact OD1-CE1 3.22Å; D2558-H2562 IonicContact OD1-ND1 3.81Å; D2558-H2562 PolarHBondContact OD1-ND1 3.11Å; D2558-G2752 WeakPolarHBondContact OD2-CA 3.41Å; D2558-T2753 PolarHBondContact OD2-N 3.14Å; D2558-L2757 HydrophobicContact CB-CB 4.11Å; D2558-L2761 WeakPolarHBondContact OD1-CD1 3.43Å |
| 2559 | Y | 83.4 | Confident | 77.5 | Confident | 15 Ų | 15 | 24.3 Ų | 24.3 | 6% | 0.059 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -58.6 | -49.1 | 178.3 | 175 | -105.9 | 0 | 0 | 0 | 111.8 | T2506 S2555 L2556 L2561 H2562 E2563 Y2714 R2750 | T2506-Y2559 HydrophobicContact CG2-CD1 4.43Å; T2506-Y2559 HydrophobicContact CG2-CE1 3.76Å; S2555-Y2559 PolarHBondContact O-N 3.24Å; S2555-Y2559 VanDerWaalsContact O-N 3.11Å; L2556-Y2559 WeakPolarHBondContact O-CB 3.36Å; L2556-Y2559 PolarHBondContact O-N 3.27Å; Y2559-L2561 PolarHBondContact O-N 3.08Å; Y2559-H2562 PolarHBondContact O-N 3.23Å; Y2559-E2563 HydrophobicContact CD1-CG 4.44Å; Y2559-E2563 HydrophobicContact CD2-CG 4.43Å; Y2559-E2563 HydrophobicContact CE1-CG 3.95Å; Y2559-E2563 HydrophobicContact CE2-CG 3.96Å; Y2559-E2563 PolarHBondContact O-N 3.21Å; Y2559-E2563 VanDerWaalsContact O-N 3.09Å; Y2559-E2563 PolarHBondContact OH-OE1 2.96Å; Y2559-E2563 VanDerWaalsContact OH-OE1 3.07Å; Y2559-Y2714 AromaticContact CD1-CD1 3.69Å; Y2559-Y2714 HydrophobicContact CD1-CD1 3.69Å; Y2559-Y2714 AromaticContact CD1-CE1 3.62Å; Y2559-Y2714 HydrophobicContact CD1-CE1 3.62Å; Y2559-Y2714 HydrophobicContact CD2-CD1 4.4Å; Y2559-Y2714 HydrophobicContact CE1-CD1 4.37Å; Y2559-Y2714 AromaticContact CE1-CE1 3.94Å; Y2559-Y2714 HydrophobicContact CE1-CE1 3.97Å; Y2559-Y2714 AromaticContact CG-CD1 3.74Å; Y2559-Y2714 HydrophobicContact CG-CD1 3.74Å; Y2559-Y2714 HydrophobicContact CG-CE1 4.16Å; Y2559-R2750 VanDerWaalsContact CD2-O 3.28Å; Y2559-R2750 WeakPolarHBondContact CD2-O 3.32Å |
| 2560 | C | 81.4 | Confident | 76.7 | Confident | 0.25 Ų | 0.25 | 23.7 Ų | 23.7 | 0% | 0.002 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -70 | -34.7 | -176.8 | -68.7 | 0 | 0 | 0 | 0 | 112.8 | I2512 L2556 L2557 D2558 H2562 E2563 E2564 | I2512-C2560 HydrophobicContact CD1-CB 3.26Å; I2512-C2560 WeakPolarHBondContact CD1-SG 3.46Å; L2556-C2560 WeakPolarHBondContact O-CB 3.43Å; L2556-C2560 PolarHBondContact O-N 3.28Å; L2556-C2560 PolarHBondContact O-SG 3.21Å; L2557-C2560 PolarHBondContact O-N 3.21Å; D2558-C2560 PolarHBondContact O-N 3.27Å; C2560-H2562 VanDerWaalsContact C-N 3.31Å; C2560-H2562 PolarHBondContact O-N 3.35Å; C2560-E2563 PolarHBondContact O-N 3.17Å; C2560-E2564 WeakPolarHBondContact O-CB 3.33Å; C2560-E2564 WeakPolarHBondContact O-CG 3.36Å; C2560-E2564 PolarHBondContact O-N 2.92Å |
| 2561 | L | 80.6 | Confident | 75.5 | Confident | 1.5 Ų | 1.5 | 28.6 Ų | 28.6 | 1% | 0.008 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -55.9 | -46.6 | 171.3 | -94.3 | 172.5 | 0 | 0 | 0 | 112 | I2509 L2557 D2558 Y2559 Y2565 Q2610 L2611 I2614 L2757 L2761 | I2509-L2561 HydrophobicContact CD1-CD2 3.98Å; L2557-L2561 HydrophobicContact CD2-CD1 3.74Å; L2557-L2561 HydrophobicContact CD2-CG 4.3Å; L2557-L2561 HydrophobicContact CG-CD1 4.48Å; L2557-L2561 VanDerWaalsContact O-CB 3.29Å; L2557-L2561 WeakPolarHBondContact O-CB 3.33Å; L2557-L2561 WeakPolarHBondContact O-CG 3.28Å; L2557-L2561 PolarHBondContact O-N 3.03Å; D2558-L2561 WeakPolarHBondContact O-CB 3.48Å; D2558-L2561 PolarHBondContact O-N 2.95Å; Y2559-L2561 PolarHBondContact O-N 3.08Å; L2561-Y2565 VanDerWaalsContact O-CB 3.31Å; L2561-Y2565 WeakPolarHBondContact O-CB 3.33Å; L2561-Y2565 PolarHBondContact O-N 2.99Å; L2561-Y2565 VanDerWaalsContact O-N 3.09Å; L2561-Q2610 HydrophobicContact CD2-CB 4.27Å; L2561-L2611 HydrophobicContact CD1-CD1 4.28Å; L2561-L2611 HydrophobicContact CD2-CD1 4.42Å; L2561-I2614 HydrophobicContact CD1-CD1 3.67Å; L2561-I2614 HydrophobicContact CD2-CD1 3.25Å; L2561-I2614 HydrophobicContact CG-CD1 3.5Å; L2561-I2614 VanDerWaalsContact CG-CD1 3.46Å; L2561-L2757 HydrophobicContact CD1-CD1 3.9Å; L2561-L2761 HydrophobicContact CD1-CD1 4.19Å |
| 2562 | H | 76.4 | Confident | 74.3 | Confident | 21.75 Ų | 21.75 | 36.8 Ų | 36.8 | 10% | 0.101 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -66.1 | -47.5 | 178.2 | -74.7 | 88.5 | 0 | 0 | 0 | 111.4 | D2558 Y2559 C2560 E2564 Y2565 F2566 R2750 | D2558-H2562 PolarHBondContact O-N 3.2Å; D2558-H2562 VanDerWaalsContact O-N 3.17Å; D2558-H2562 PolarHBondContact O-ND1 3.09Å; D2558-H2562 IonicContact OD1-CE1 3.41Å; D2558-H2562 PolarHBondContact OD1-CE1 3.22Å; D2558-H2562 VanDerWaalsContact OD1-CE1 3.22Å; D2558-H2562 IonicContact OD1-ND1 3.81Å; D2558-H2562 PolarHBondContact OD1-ND1 3.11Å; Y2559-H2562 PolarHBondContact O-N 3.23Å; C2560-H2562 VanDerWaalsContact C-N 3.31Å; C2560-H2562 PolarHBondContact O-N 3.35Å; H2562-E2564 VanDerWaalsContact C-N 3.35Å; H2562-E2564 PolarHBondContact O-N 3.19Å; H2562-Y2565 PolarHBondContact O-N 3.11Å; H2562-F2566 HydrophobicContact CB-CD2 4.45Å; H2562-F2566 HydrophobicContact CB-CE2 4.47Å; H2562-F2566 WeakPolarHBondContact O-CB 3.32Å; H2562-F2566 WeakPolarHBondContact O-CD2 3.33Å; H2562-F2566 PolarHBondContact O-N 3.37Å; H2562-R2750 PolarHBondContact CD2-NH1 3.45Å; H2562-R2750 VanDerWaalsContact CD2-NH1 3.28Å; H2562-R2750 PolarHBondContact NE2-NH1 3.23Å |
| 2563 | E | 75 | Confident | 72.7 | Confident | 26.25 Ų | 26.25 | 36 Ų | 36 | 12% | 0.123 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -60.2 | -42.9 | 178.7 | -78.2 | -71.5 | 141.2 | 0 | 0 | 112.7 | R2494 S2505 T2506 Y2559 C2560 F2566 T2567 | R2494-E2563 IonicContact NH2-OE2 2.7Å; R2494-E2563 PolarHBondContact NH2-OE2 2.78Å; S2505-E2563 VanDerWaalsContact CB-OE2 3.28Å; S2505-E2563 WeakPolarHBondContact CB-OE2 3.36Å; S2505-E2563 VanDerWaalsContact OG-CD 3.24Å; S2505-E2563 PolarHBondContact OG-OE2 3.08Å; T2506-E2563 HydrophobicContact CG2-CB 4.23Å; T2506-E2563 HydrophobicContact CG2-CG 4.38Å; Y2559-E2563 HydrophobicContact CD1-CG 4.44Å; Y2559-E2563 HydrophobicContact CD2-CG 4.43Å; Y2559-E2563 HydrophobicContact CE1-CG 3.95Å; Y2559-E2563 HydrophobicContact CE2-CG 3.96Å; Y2559-E2563 PolarHBondContact O-N 3.21Å; Y2559-E2563 VanDerWaalsContact O-N 3.09Å; Y2559-E2563 PolarHBondContact OH-OE1 2.96Å; Y2559-E2563 VanDerWaalsContact OH-OE1 3.07Å; C2560-E2563 PolarHBondContact O-N 3.17Å; E2563-F2566 PolarHBondContact O-N 3.13Å; E2563-T2567 WeakPolarHBondContact O-CB 3.39Å; E2563-T2567 PolarHBondContact O-N 3.29Å; E2563-T2567 PolarHBondContact O-OG1 3.11Å |
| 2564 | E | 72.9 | Confident | 70.8 | Confident | 19.5 Ų | 19.5 | 40.3 Ų | 40.3 | 9% | 0.091 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -68.6 | -42 | 178.4 | -115.4 | -172.2 | 157.6 | 0 | 0 | 111.6 | R2481 T2508 I2509 C2560 H2562 F2566 T2567 E2568 Q2610 | R2481-E2564 IonicContact CZ-OE1 2.89Å; R2481-E2564 VanDerWaalsContact CZ-OE1 3.29Å; R2481-E2564 IonicContact NH1-OE1 3.21Å; R2481-E2564 PolarHBondContact NH1-OE1 3.14Å; R2481-E2564 IonicContact NH2-OE1 2.9Å; R2481-E2564 PolarHBondContact NH2-OE1 3.05Å; T2508-E2564 WeakPolarHBondContact CA-OE1 3.44Å; I2509-E2564 HydrophobicContact CD1-CB 4.35Å; I2509-E2564 HydrophobicContact CD1-CG 4.34Å; I2509-E2564 VanDerWaalsContact CD1-OE2 3.28Å; I2509-E2564 WeakPolarHBondContact CD1-OE2 3.23Å; I2509-E2564 WeakPolarHBondContact CG1-OE2 3.26Å; I2509-E2564 PolarHBondContact N-OE2 3.06Å; I2509-E2564 VanDerWaalsContact N-OE2 3.1Å; C2560-E2564 WeakPolarHBondContact O-CB 3.33Å; C2560-E2564 WeakPolarHBondContact O-CG 3.36Å; C2560-E2564 PolarHBondContact O-N 2.92Å; H2562-E2564 VanDerWaalsContact C-N 3.35Å; H2562-E2564 PolarHBondContact O-N 3.19Å; E2564-F2566 PolarHBondContact O-N 3.38Å; E2564-T2567 WeakPolarHBondContact O-CA 3.43Å; E2564-T2567 WeakPolarHBondContact O-CB 3.38Å; E2564-T2567 PolarHBondContact O-N 3.22Å; E2564-T2567 VanDerWaalsContact O-N 3.12Å; E2564-E2568 PolarHBondContact O-N 3.04Å; E2564-Q2610 HydrophobicContact CG-CG 4.28Å |
| 2565 | Y | 70.6 | Confident | 68.7 | Low | 18.75 Ų | 18.75 | 45.2 Ų | 45.2 | 7% | 0.074 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -61 | -44.2 | 173.2 | 173.2 | -96.8 | 0 | 0 | 0 | 112.5 | L2561 H2562 T2567 E2568 Y2569 E2604 L2605 | L2561-Y2565 VanDerWaalsContact O-CB 3.31Å; L2561-Y2565 WeakPolarHBondContact O-CB 3.33Å; L2561-Y2565 PolarHBondContact O-N 2.99Å; L2561-Y2565 VanDerWaalsContact O-N 3.09Å; H2562-Y2565 PolarHBondContact O-N 3.11Å; Y2565-T2567 PolarHBondContact O-N 3.17Å; Y2565-E2568 PolarHBondContact O-N 3.23Å; Y2565-Y2569 HydrophobicContact CE1-CD2 4.26Å; Y2565-Y2569 HydrophobicContact CE1-CG 4.2Å; Y2565-Y2569 AromaticContact CZ-CD2 3.91Å; Y2565-Y2569 VanDerWaalsContact O-CB 3.27Å; Y2565-Y2569 WeakPolarHBondContact O-CB 3.22Å; Y2565-Y2569 PolarHBondContact O-N 3.24Å; Y2565-Y2569 WeakPolarHBondContact OH-CD2 3.21Å; Y2565-E2604 HydrophobicContact CE2-CB 4.22Å; Y2565-E2604 WeakPolarHBondContact OH-CB 3.32Å; Y2565-E2604 PolarHBondContact OH-OE2 2.97Å; Y2565-L2605 HydrophobicContact CD1-CD1 3.88Å; Y2565-L2605 HydrophobicContact CD2-CD1 3.67Å; Y2565-L2605 HydrophobicContact CE1-CD1 4.43Å; Y2565-L2605 HydrophobicContact CE2-CD1 4.44Å; Y2565-L2605 HydrophobicContact CG-CD1 3.31Å; Y2565-L2605 HydrophobicContact CG-CG 4.44Å |
| 2566 | F | 65.6 | Low | 66.5 | Low | 63.75 Ų | 63.75 | 50.9 Ų | 50.9 | 28% | 0.28 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -62.2 | -33.7 | 175.7 | -84.2 | -65.6 | 0 | 0 | 0 | 111.9 | H2562 E2563 E2564 R2570 T2601 | H2562-F2566 HydrophobicContact CB-CD2 4.45Å; H2562-F2566 HydrophobicContact CB-CE2 4.47Å; H2562-F2566 WeakPolarHBondContact O-CB 3.32Å; H2562-F2566 WeakPolarHBondContact O-CD2 3.33Å; H2562-F2566 PolarHBondContact O-N 3.37Å; E2563-F2566 PolarHBondContact O-N 3.13Å; E2564-F2566 PolarHBondContact O-N 3.38Å; F2566-R2570 VanDerWaalsContact O-CB 3.27Å; F2566-R2570 WeakPolarHBondContact O-CB 3.38Å; F2566-R2570 WeakPolarHBondContact O-CD 3.38Å; F2566-R2570 VanDerWaalsContact O-CG 3.28Å; F2566-R2570 WeakPolarHBondContact O-CG 3.3Å; F2566-R2570 PolarHBondContact O-N 3.04Å; F2566-R2570 VanDerWaalsContact O-N 3.1Å; F2566-T2601 HydrophobicContact CE1-CG2 4.08Å; F2566-T2601 HydrophobicContact CZ-CG2 4Å |
| 2567 | T | 63.2 | Low | 64.3 | Low | 19.5 Ų | 19.5 | 55.8 Ų | 55.8 | 12% | 0.12 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -66.3 | -48.6 | 175.1 | -54.2 | 0 | 0 | 0 | 0 | 110.7 | I2498 E2563 E2564 Y2565 Y2569 R2570 L2571 | I2498-T2567 HydrophobicContact CG2-CG2 4.49Å; E2563-T2567 WeakPolarHBondContact O-CB 3.39Å; E2563-T2567 PolarHBondContact O-N 3.29Å; E2563-T2567 PolarHBondContact O-OG1 3.11Å; E2564-T2567 WeakPolarHBondContact O-CA 3.43Å; E2564-T2567 WeakPolarHBondContact O-CB 3.38Å; E2564-T2567 PolarHBondContact O-N 3.22Å; E2564-T2567 VanDerWaalsContact O-N 3.12Å; Y2565-T2567 PolarHBondContact O-N 3.17Å; T2567-Y2569 PolarHBondContact O-N 3.43Å; T2567-R2570 PolarHBondContact O-N 3.19Å; T2567-L2571 HydrophobicContact CG2-CD1 4.21Å; T2567-L2571 VanDerWaalsContact O-CD1 3.3Å; T2567-L2571 WeakPolarHBondContact O-CD1 3.41Å; T2567-L2571 WeakPolarHBondContact O-CG 3.36Å; T2567-L2571 PolarHBondContact O-N 3.15Å; T2567-L2571 VanDerWaalsContact O-N 3.14Å |
| 2568 | E | 64.6 | Low | 62.2 | Low | 70.75 Ų | 70.75 | 60.9 Ų | 60.9 | 33% | 0.331 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -63.4 | -43.2 | 176 | -73.5 | -161 | 158.9 | 0 | 0 | 113.2 | E2564 Y2565 R2570 L2571 R2572 Q2610 | E2564-E2568 PolarHBondContact O-N 3.04Å; Y2565-E2568 PolarHBondContact O-N 3.23Å; E2568-R2570 VanDerWaalsContact C-N 3.3Å; E2568-R2570 PolarHBondContact O-N 3.3Å; E2568-L2571 CarbonylContact O-C 3.14Å; E2568-L2571 WeakPolarHBondContact O-CA 3.27Å; E2568-L2571 WeakPolarHBondContact O-CB 3.3Å; E2568-L2571 PolarHBondContact O-N 3.21Å; E2568-L2571 VanDerWaalsContact O-N 3.09Å; E2568-R2572 PolarHBondContact O-N 3.01Å; E2568-Q2610 PolarHBondContact OE1-NE2 3.35Å; E2568-Q2610 PolarHBondContact OE2-NE2 2.82Å; E2568-Q2610 PolarHBondContact OE2-OE1 3.21Å |
| 2569 | Y | 62.3 | Low | 60 | Low | 89.5 Ų | 89.5 | 66.7 Ų | 66.7 | 35% | 0.351 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -60.8 | -42 | 179.1 | -177 | -95.6 | 0 | 0 | 0 | 111.6 | Y2565 T2567 L2571 R2572 N2573 E2604 | Y2565-Y2569 HydrophobicContact CE1-CD2 4.26Å; Y2565-Y2569 HydrophobicContact CE1-CG 4.2Å; Y2565-Y2569 AromaticContact CZ-CD2 3.91Å; Y2565-Y2569 VanDerWaalsContact O-CB 3.27Å; Y2565-Y2569 WeakPolarHBondContact O-CB 3.22Å; Y2565-Y2569 PolarHBondContact O-N 3.24Å; Y2565-Y2569 WeakPolarHBondContact OH-CD2 3.21Å; T2567-Y2569 PolarHBondContact O-N 3.43Å; Y2569-L2571 VanDerWaalsContact C-N 3.29Å; Y2569-L2571 PolarHBondContact O-N 3.34Å; Y2569-R2572 PolarHBondContact O-N 3.11Å; Y2569-N2573 HydrophobicContact CE1-CB 4.31Å; Y2569-N2573 WeakPolarHBondContact CE1-ND2 3.35Å; Y2569-N2573 WeakPolarHBondContact CE2-ND2 3.42Å; Y2569-N2573 PolarHBondContact O-N 3.04Å; Y2569-N2573 VanDerWaalsContact O-N 3.12Å; Y2569-N2573 PolarHBondContact OH-ND2 2.89Å; Y2569-N2573 VanDerWaalsContact OH-ND2 3.08Å; Y2569-E2604 WeakPolarHBondContact CE2-OE2 3.3Å |
| 2570 | R | 59.8 | Low | 57.8 | Low | 67.25 Ų | 67.25 | 70.7 Ų | 70.7 | 25% | 0.254 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -62.3 | -31.6 | 173.9 | -78 | 177.8 | -172.7 | 146.8 | -1.3 | 112.8 | F2566 T2567 E2568 Y2747 | F2566-R2570 VanDerWaalsContact O-CB 3.27Å; F2566-R2570 WeakPolarHBondContact O-CB 3.38Å; F2566-R2570 WeakPolarHBondContact O-CD 3.38Å; F2566-R2570 VanDerWaalsContact O-CG 3.28Å; F2566-R2570 WeakPolarHBondContact O-CG 3.3Å; F2566-R2570 PolarHBondContact O-N 3.04Å; F2566-R2570 VanDerWaalsContact O-N 3.1Å; T2567-R2570 PolarHBondContact O-N 3.19Å; E2568-R2570 VanDerWaalsContact C-N 3.3Å; E2568-R2570 PolarHBondContact O-N 3.3Å; R2570-Y2747 PolarHBondContact NH1-OH 3.5Å; R2570-Y2747 VanDerWaalsContact NH2-CE1 3.35Å; R2570-Y2747 PolarHBondContact NH2-OH 3.06Å |
| 2571 | L | 58.2 | Low | 55.7 | Low | 102.5 Ų | 102.5 | 76.9 Ų | 76.9 | 54% | 0.537 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -75.6 | -41.3 | 176 | -80.4 | 135.8 | 0 | 0 | 0 | 111.9 | T2567 E2568 Y2569 | T2567-L2571 HydrophobicContact CG2-CD1 4.21Å; T2567-L2571 VanDerWaalsContact O-CD1 3.3Å; T2567-L2571 WeakPolarHBondContact O-CD1 3.41Å; T2567-L2571 WeakPolarHBondContact O-CG 3.36Å; T2567-L2571 PolarHBondContact O-N 3.15Å; T2567-L2571 VanDerWaalsContact O-N 3.14Å; E2568-L2571 CarbonylContact O-C 3.14Å; E2568-L2571 WeakPolarHBondContact O-CA 3.27Å; E2568-L2571 WeakPolarHBondContact O-CB 3.3Å; E2568-L2571 PolarHBondContact O-N 3.21Å; E2568-L2571 VanDerWaalsContact O-N 3.09Å; Y2569-L2571 VanDerWaalsContact C-N 3.29Å; Y2569-L2571 PolarHBondContact O-N 3.34Å |
| 2572 | R | 54.2 | Low | 53.7 | Low | 178.25 Ų | 178.25 | 86.2 Ų | 86.2 | 67% | 0.673 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -75.5 | -40.3 | -177.3 | -94 | -174.6 | -177.4 | 173.6 | 4.3 | 114.8 | E2568 Y2569 K2574 T2575 | E2568-R2572 PolarHBondContact O-N 3.01Å; Y2569-R2572 PolarHBondContact O-N 3.11Å; R2572-K2574 VanDerWaalsContact C-N 3.33Å; R2572-K2574 PolarHBondContact O-N 3.2Å; R2572-K2574 VanDerWaalsContact O-N 3.09Å; R2572-T2575 PolarHBondContact O-N 3.11Å; R2572-T2575 VanDerWaalsContact O-N 3.1Å; R2572-T2575 PolarHBondContact O-OG1 3.35Å |
| 2573 | N | 47.3 | Very low | 51.8 | Low | 53.25 Ų | 53.25 | 93.3 Ų | 93.3 | 29% | 0.285 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -69.4 | -11.9 | -173.2 | -93.8 | 4.5 | 0 | 0 | 0 | 114.8 | Y2569 T2575 E2576 L2577 | Y2569-N2573 HydrophobicContact CE1-CB 4.31Å; Y2569-N2573 WeakPolarHBondContact CE1-ND2 3.35Å; Y2569-N2573 WeakPolarHBondContact CE2-ND2 3.42Å; Y2569-N2573 PolarHBondContact O-N 3.04Å; Y2569-N2573 VanDerWaalsContact O-N 3.12Å; Y2569-N2573 PolarHBondContact OH-ND2 2.89Å; Y2569-N2573 VanDerWaalsContact OH-ND2 3.08Å; N2573-T2575 VanDerWaalsContact C-N 3.3Å; N2573-T2575 PolarHBondContact O-N 2.79Å; N2573-E2576 PolarHBondContact O-N 3.09Å; N2573-L2577 WeakPolarHBondContact O-CB 3.4Å; N2573-L2577 PolarHBondContact O-N 2.91Å; N2573-L2577 VanDerWaalsContact O-N 3.07Å |
| 2574 | K | 45.6 | Very low | 50 | Low | 89.5 Ų | 89.5 | 101.3 Ų | 101.3 | 39% | 0.389 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -68 | -32.2 | 170.3 | -104.7 | -175.9 | 176.4 | -178 | 0 | 113.2 | E2291 H2292 S2293 T2295 D2296 R2572 E2576 V2578 | E2291-K2574 IonicContact OE2-NZ 2.65Å; H2292-K2574 VanDerWaalsContact CE1-CB 3.47Å; H2292-K2574 WeakPolarHBondContact CE1-CB 3.47Å; H2292-K2574 PolarHBondContact CE1-O 3.26Å; S2293-K2574 PolarHBondContact OG-NZ 3.05Å; T2295-K2574 PolarHBondContact OG1-NZ 3.49Å; T2295-K2574 VanDerWaalsContact OG1-NZ 3.08Å; D2296-K2574 VanDerWaalsContact CG-CE 3.42Å; D2296-K2574 WeakPolarHBondContact OD1-CE 3.46Å; D2296-K2574 IonicContact OD1-NZ 2.93Å; D2296-K2574 PolarHBondContact OD1-NZ 3.19Å; D2296-K2574 VanDerWaalsContact OD2-CE 3.27Å; D2296-K2574 WeakPolarHBondContact OD2-CE 3.05Å; D2296-K2574 IonicContact OD2-NZ 3.69Å; D2296-K2574 PolarHBondContact OD2-NZ 3.18Å; R2572-K2574 VanDerWaalsContact C-N 3.33Å; R2572-K2574 PolarHBondContact O-N 3.2Å; R2572-K2574 VanDerWaalsContact O-N 3.09Å; K2574-E2576 VanDerWaalsContact C-N 3.29Å; K2574-E2576 PolarHBondContact O-N 2.75Å; K2574-V2578 WeakPolarHBondContact O-CG2 3.29Å |
| 2575 | T | 43.7 | Very low | 48.1 | Very low | 103.75 Ų | 103.75 | 107.4 Ų | 107.4 | 64% | 0.637 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -76.4 | -29.6 | 178.7 | 13.8 | 0 | 0 | 0 | 0 | 112.9 | R2572 N2573 | R2572-T2575 PolarHBondContact O-N 3.11Å; R2572-T2575 VanDerWaalsContact O-N 3.1Å; R2572-T2575 PolarHBondContact O-OG1 3.35Å; N2573-T2575 VanDerWaalsContact C-N 3.3Å; N2573-T2575 PolarHBondContact O-N 2.79Å |
| 2576 | E | 38.9 | Very low | 46.3 | Very low | 119.5 Ų | 119.5 | 110 Ų | 110 | 56% | 0.558 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -90.6 | -29 | -177.3 | -69.3 | -168.2 | 173.1 | 0 | 0 | 114.3 | N2573 K2574 V2578 N2579 N2580 | N2573-E2576 PolarHBondContact O-N 3.09Å; K2574-E2576 VanDerWaalsContact C-N 3.29Å; K2574-E2576 PolarHBondContact O-N 2.75Å; E2576-V2578 VanDerWaalsContact C-N 3.28Å; E2576-V2578 PolarHBondContact O-N 2.99Å; E2576-V2578 VanDerWaalsContact O-N 3.14Å; E2576-N2579 PolarHBondContact O-N 3.18Å; E2576-N2579 VanDerWaalsContact O-N 3.12Å; E2576-N2580 PolarHBondContact O-N 3.22Å |
| 2577 | L | 36.7 | Very low | 44.8 | Very low | 106.75 Ų | 106.75 | 118 Ų | 118 | 56% | 0.559 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -62.3 | -33.6 | 178.8 | -139 | 80.3 | 0 | 0 | 0 | 112 | N2573 N2579 N2580 D2581 | N2573-L2577 WeakPolarHBondContact O-CB 3.4Å; N2573-L2577 PolarHBondContact O-N 2.91Å; N2573-L2577 VanDerWaalsContact O-N 3.07Å; L2577-N2579 VanDerWaalsContact C-N 3.26Å; L2577-N2579 PolarHBondContact O-N 3.19Å; L2577-N2580 PolarHBondContact O-N 3.36Å; L2577-N2580 VanDerWaalsContact O-N 3.15Å; L2577-D2581 PolarHBondContact O-N 2.81Å |
| 2578 | V | 41.1 | Very low | 43.5 | Very low | 109.25 Ų | 109.25 | 123.5 Ų | 123.5 | 66% | 0.662 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -64 | -26.7 | 176.6 | 179.5 | 0 | 0 | 0 | 0 | 112.3 | K2574 E2576 | K2574-V2578 WeakPolarHBondContact O-CG2 3.29Å; E2576-V2578 VanDerWaalsContact C-N 3.28Å; E2576-V2578 PolarHBondContact O-N 2.99Å; E2576-V2578 VanDerWaalsContact O-N 3.14Å |
| 2579 | N | 39.3 | Very low | 42 | Very low | 124.75 Ų | 124.75 | 124.4 Ų | 124.4 | 67% | 0.667 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -88.8 | -27 | 178.4 | -75 | -23.3 | 0 | 0 | 0 | 113.2 | E2576 L2577 | E2576-N2579 PolarHBondContact O-N 3.18Å; E2576-N2579 VanDerWaalsContact O-N 3.12Å; L2577-N2579 VanDerWaalsContact C-N 3.26Å; L2577-N2579 PolarHBondContact O-N 3.19Å |
| 2580 | N | 36.6 | Very low | 40.8 | Very low | 98 Ų | 98 | 126.8 Ų | 126.8 | 52% | 0.524 | 65% | 0.653 | S | S | . | * | H | α-helix | trans | -89.3 | -17 | -174.6 | -78 | -28.9 | 0 | 0 | 0 | 114.7 | E2576 L2577 K2582 Q2583 | E2576-N2580 PolarHBondContact O-N 3.22Å; L2577-N2580 PolarHBondContact O-N 3.36Å; L2577-N2580 VanDerWaalsContact O-N 3.15Å; N2580-K2582 PolarHBondContact O-N 3.16Å; N2580-K2582 VanDerWaalsContact O-N 3.12Å; N2580-Q2583 CarbonylContact O-C 3.48Å; N2580-Q2583 PolarHBondContact O-N 3.21Å; N2580-Q2583 VanDerWaalsContact O-N 3.09Å |
| 2581 | D | 37.4 | Very low | 39.6 | Very low | 131.75 Ų | 131.75 | 127.5 Ų | 127.5 | 71% | 0.705 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.7 | -11 | 176.2 | -87.1 | -16.2 | 0 | 0 | 0 | 113.8 | L2577 Q2583 | L2577-D2581 PolarHBondContact O-N 2.81Å; D2581-Q2583 VanDerWaalsContact C-N 3.31Å; D2581-Q2583 PolarHBondContact O-N 3Å |
| 2582 | K | 39.3 | Very low | 38.4 | Very low | 196.75 Ų | 196.75 | 126.7 Ų | 126.7 | 86% | 0.855 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.2 | -6.4 | 169.6 | -78.1 | -173.7 | 178.5 | 176.3 | 0 | 114.8 | N2580 | N2580-K2582 PolarHBondContact O-N 3.16Å; N2580-K2582 VanDerWaalsContact O-N 3.12Å |
| 2583 | Q | 36.3 | Very low | 37.5 | Very low | 169.75 Ų | 169.75 | 121.8 Ų | 121.8 | 79% | 0.793 | 66% | 0.662 | S | S | * | * | S | Bend | trans | -131.3 | 20.5 | -175.6 | -74.5 | -166 | 8.3 | 0 | 0 | 116.2 | N2580 D2581 | N2580-Q2583 CarbonylContact O-C 3.48Å; N2580-Q2583 PolarHBondContact O-N 3.21Å; N2580-Q2583 VanDerWaalsContact O-N 3.09Å; D2581-Q2583 VanDerWaalsContact C-N 3.31Å; D2581-Q2583 PolarHBondContact O-N 3Å |
| 2584 | K | 35.8 | Very low | 37 | Very low | 193.5 Ų | 193.5 | 123.8 Ų | 123.8 | 84% | 0.841 | 68% | 0.677 | S | S | * | * | trans | -135.8 | 61.7 | 172 | -85.3 | 175 | -178.7 | 173.6 | 0 | 114.1 | G2586 | K2584-G2586 PolarHBondContact O-N 3.02Š| ||
| 2585 | T | 34.1 | Very low | 36.4 | Very low | 149.25 Ų | 149.25 | 124 Ų | 124 | 92% | 0.916 | 69% | 0.685 | S | S | * | * | trans | -78.3 | 102.5 | 151.4 | 45.1 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 2586 | G | 31.9 | Very low | 36.2 | Very low | 72.5 Ų | 72.5 | 123.3 Ų | 123.3 | 75% | 0.747 | 68% | 0.678 | S | S | * | * | trans | 111.7 | 95.3 | 159.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | K2584 | K2584-G2586 PolarHBondContact O-N 3.02Š| ||
| 2587 | R | 35.7 | Very low | 36.5 | Very low | 231.5 Ų | 231.5 | 122.1 Ų | 122.1 | 87% | 0.874 | 68% | 0.675 | S | S | * | * | trans | -179.7 | 114.9 | 130.3 | -147.1 | 167.5 | 171.6 | 178.7 | -4.2 | 111.1 | T2589 | R2587-T2589 PolarHBondContact O-N 3.2Š| ||
| 2588 | T | 34.2 | Very low | 36.7 | Very low | 136.25 Ų | 136.25 | 122.3 Ų | 122.3 | 84% | 0.836 | 68% | 0.677 | S | S | * | * | trans | -70.9 | 104.9 | 170.4 | 36.4 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 2589 | T | 34.6 | Very low | 37 | Very low | 89.25 Ų | 89.25 | 122.4 Ų | 122.4 | 55% | 0.548 | 67% | 0.672 | S | S | . | * | trans | -145.8 | 96 | 160.7 | 38.9 | 0 | 0 | 0 | 0 | 108.4 | R2587 T2593 | R2587-T2589 PolarHBondContact O-N 3.2Å; T2589-T2593 PolarHBondContact O-OG1 3.5Å | ||
| 2590 | T | 36.5 | Very low | 37.7 | Very low | 139.25 Ų | 139.25 | 120.3 Ų | 120.3 | 85% | 0.854 | 66% | 0.661 | S | S | * | * | trans | -100.6 | 30.1 | -173.3 | 37.8 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 2591 | A | 35.2 | Very low | 38.5 | Very low | 81.25 Ų | 81.25 | 116.9 Ų | 116.9 | 67% | 0.671 | 64% | 0.644 | S | S | * | * | S | Bend | trans | -136 | -24.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | T2594 | A2591-T2594 PolarHBondContact O-OG1 3.32Å; A2591-T2594 VanDerWaalsContact O-OG1 3.06Å |
| 2592 | T | 32.1 | Very low | 39.5 | Very low | 85.75 Ų | 85.75 | 112.3 Ų | 112.3 | 53% | 0.526 | 62% | 0.624 | S | S | . | * | S | Bend | trans | -91.2 | -6.3 | -178.5 | 30.7 | 0 | 0 | 0 | 0 | 114.3 | T2594 | T2592-T2594 VanDerWaalsContact C-N 3.34Š|
| 2593 | T | 36.1 | Very low | 40.5 | Very low | 75.25 Ų | 75.25 | 106.2 Ų | 106.2 | 46% | 0.462 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -72.2 | -29.4 | -179.3 | -9.4 | 0 | 0 | 0 | 0 | 112.6 | T2589 N2597 | T2589-T2593 PolarHBondContact O-OG1 3.5Å; T2593-N2597 VanDerWaalsContact O-CG 3.24Å; T2593-N2597 PolarHBondContact O-N 3.2Å; T2593-N2597 VanDerWaalsContact O-N 3.12Å; T2593-N2597 PolarHBondContact O-ND2 3.18Å; T2593-N2597 PolarHBondContact O-OD1 3.18Å |
| 2594 | T | 35.7 | Very low | 41.8 | Very low | 95.25 Ų | 95.25 | 101.7 Ų | 101.7 | 58% | 0.584 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -69.7 | -42 | -173.9 | -16.6 | 0 | 0 | 0 | 0 | 113 | A2591 T2592 L2598 | A2591-T2594 PolarHBondContact O-OG1 3.32Å; A2591-T2594 VanDerWaalsContact O-OG1 3.06Å; T2592-T2594 VanDerWaalsContact C-N 3.34Å; T2594-L2598 PolarHBondContact O-N 3.13Å |
| 2595 | T | 34.1 | Very low | 43.1 | Very low | 93.75 Ų | 93.75 | 92.6 Ų | 92.6 | 58% | 0.575 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -74.4 | -36.9 | 176.9 | 19.7 | 0 | 0 | 0 | 0 | 112.4 | N2597 L2598 I2599 | T2595-N2597 VanDerWaalsContact C-N 3.29Å; T2595-N2597 PolarHBondContact O-N 3.17Å; T2595-L2598 PolarHBondContact O-N 3.24Å; T2595-I2599 PolarHBondContact O-N 3.22Å |
| 2596 | N | 39 | Very low | 44.6 | Very low | 90.5 Ų | 90.5 | 88.4 Ų | 88.4 | 48% | 0.484 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -65.3 | -33.1 | 176.6 | -77 | -4.5 | 0 | 0 | 0 | 112.3 | L2598 I2599 N2600 | N2596-L2598 VanDerWaalsContact C-N 3.32Å; N2596-L2598 PolarHBondContact O-N 3.18Å; N2596-I2599 PolarHBondContact O-N 3.46Å; N2596-N2600 VanDerWaalsContact O-CB 3.29Å; N2596-N2600 WeakPolarHBondContact O-CB 3.24Å; N2596-N2600 PolarHBondContact O-N 3.22Å; N2596-N2600 PolarHBondContact O-ND2 2.98Å; N2596-N2600 PolarHBondContact O-OD1 2.9Å |
| 2597 | N | 44 | Very low | 46.2 | Very low | 93 Ų | 93 | 93.1 Ų | 93.1 | 50% | 0.497 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -65.2 | -36.2 | 177.2 | -73.4 | -9.7 | 0 | 0 | 0 | 112.8 | T2593 T2595 N2600 T2601 | T2593-N2597 VanDerWaalsContact O-CG 3.24Å; T2593-N2597 PolarHBondContact O-N 3.2Å; T2593-N2597 VanDerWaalsContact O-N 3.12Å; T2593-N2597 PolarHBondContact O-ND2 3.18Å; T2593-N2597 PolarHBondContact O-OD1 3.18Å; T2595-N2597 VanDerWaalsContact C-N 3.29Å; T2595-N2597 PolarHBondContact O-N 3.17Å; N2597-N2600 PolarHBondContact O-N 3.08Å; N2597-T2601 WeakPolarHBondContact O-CG2 3.38Å; N2597-T2601 PolarHBondContact O-N 3.17Å; N2597-T2601 VanDerWaalsContact O-N 3.15Å; N2597-T2601 PolarHBondContact O-OG1 3.37Å |
| 2598 | L | 41 | Very low | 47.9 | Very low | 112.25 Ų | 112.25 | 82.5 Ų | 82.5 | 59% | 0.588 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -70.9 | -41 | 179.6 | -142 | 94.7 | 0 | 0 | 0 | 112.3 | T2594 T2595 N2596 N2600 T2601 A2602 | T2594-L2598 PolarHBondContact O-N 3.13Å; T2595-L2598 PolarHBondContact O-N 3.24Å; N2596-L2598 VanDerWaalsContact C-N 3.32Å; N2596-L2598 PolarHBondContact O-N 3.18Å; L2598-N2600 VanDerWaalsContact C-N 3.3Å; L2598-N2600 PolarHBondContact O-N 3.28Å; L2598-T2601 PolarHBondContact O-N 2.68Å; L2598-T2601 PolarHBondContact O-OG1 2.78Å; L2598-A2602 PolarHBondContact O-N 3.2Å |
| 2599 | I | 47.6 | Very low | 49.9 | Very low | 110.25 Ų | 110.25 | 79.5 Ų | 79.5 | 57% | 0.565 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -67.9 | -35.7 | 176.1 | -60.9 | 170.9 | 0 | 0 | 0 | 110 | T2595 N2596 T2601 A2602 T2603 | T2595-I2599 PolarHBondContact O-N 3.22Å; N2596-I2599 PolarHBondContact O-N 3.46Å; I2599-T2601 PolarHBondContact O-N 3.41Å; I2599-A2602 PolarHBondContact O-N 3.05Å; I2599-T2603 WeakPolarHBondContact O-CG2 3.14Å; I2599-T2603 PolarHBondContact O-N 3.28Å; I2599-T2603 PolarHBondContact O-OG1 3.02Å; I2599-T2603 VanDerWaalsContact O-OG1 3.05Å |
| 2600 | N | 54.4 | Low | 51.8 | Low | 82 Ų | 82 | 76.4 Ų | 76.4 | 44% | 0.439 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -67.1 | -38.3 | 175 | -73.9 | -6.6 | 0 | 0 | 0 | 112.3 | N2596 N2597 L2598 A2602 T2603 E2604 | N2596-N2600 VanDerWaalsContact O-CB 3.29Å; N2596-N2600 WeakPolarHBondContact O-CB 3.24Å; N2596-N2600 PolarHBondContact O-N 3.22Å; N2596-N2600 PolarHBondContact O-ND2 2.98Å; N2596-N2600 PolarHBondContact O-OD1 2.9Å; N2597-N2600 PolarHBondContact O-N 3.08Å; L2598-N2600 VanDerWaalsContact C-N 3.3Å; L2598-N2600 PolarHBondContact O-N 3.28Å; N2600-A2602 PolarHBondContact O-N 3.19Å; N2600-T2603 WeakPolarHBondContact CA-OG1 3.4Å; N2600-T2603 PolarHBondContact O-N 3.14Å; N2600-T2603 PolarHBondContact O-OG1 3.22Å; N2600-E2604 WeakPolarHBondContact O-CB 3.24Å; N2600-E2604 VanDerWaalsContact O-CG 3.3Å; N2600-E2604 WeakPolarHBondContact O-CG 3.25Å; N2600-E2604 PolarHBondContact O-N 3.38Å |
| 2601 | T | 53.8 | Low | 53.8 | Low | 25 Ų | 25 | 69.8 Ų | 69.8 | 15% | 0.153 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -63.7 | -41.4 | -180 | 50.5 | 0 | 0 | 0 | 0 | 112.9 | F2566 N2597 L2598 I2599 E2604 L2605 | F2566-T2601 HydrophobicContact CE1-CG2 4.08Å; F2566-T2601 HydrophobicContact CZ-CG2 4Å; N2597-T2601 WeakPolarHBondContact O-CG2 3.38Å; N2597-T2601 PolarHBondContact O-N 3.17Å; N2597-T2601 VanDerWaalsContact O-N 3.15Å; N2597-T2601 PolarHBondContact O-OG1 3.37Å; L2598-T2601 PolarHBondContact O-N 2.68Å; L2598-T2601 PolarHBondContact O-OG1 2.78Å; I2599-T2601 PolarHBondContact O-N 3.41Å; T2601-E2604 PolarHBondContact O-N 3.2Å; T2601-L2605 WeakPolarHBondContact O-CB 3.34Å; T2601-L2605 PolarHBondContact O-N 3.11Å |
| 2602 | A | 57.2 | Low | 55.9 | Low | 35.3333 Ų | 35.3333 | 71.2 Ų | 71.2 | 29% | 0.292 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -67.1 | -38.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | L2598 I2599 N2600 E2604 L2605 N2606 | L2598-A2602 PolarHBondContact O-N 3.2Å; I2599-A2602 PolarHBondContact O-N 3.05Å; N2600-A2602 PolarHBondContact O-N 3.19Å; A2602-E2604 VanDerWaalsContact C-N 3.34Å; A2602-E2604 PolarHBondContact O-N 2.82Å; A2602-L2605 PolarHBondContact O-N 2.78Å; A2602-N2606 WeakPolarHBondContact O-CB 3.3Å; A2602-N2606 PolarHBondContact O-N 2.95Å; A2602-N2606 VanDerWaalsContact O-N 3.11Å; A2602-N2606 PolarHBondContact O-ND2 3.24Å; A2602-N2606 VanDerWaalsContact O-ND2 3.13Å |
| 2603 | T | 60.4 | Low | 58.2 | Low | 70.3333 Ų | 70.3333 | 70.3 Ų | 70.3 | 43% | 0.431 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -71.1 | -31.1 | 177 | 54.6 | 0 | 0 | 0 | 0 | 112.9 | I2599 N2600 | I2599-T2603 WeakPolarHBondContact O-CG2 3.14Å; I2599-T2603 PolarHBondContact O-N 3.28Å; I2599-T2603 PolarHBondContact O-OG1 3.02Å; I2599-T2603 VanDerWaalsContact O-OG1 3.05Å; N2600-T2603 WeakPolarHBondContact CA-OG1 3.4Å; N2600-T2603 PolarHBondContact O-N 3.14Å; N2600-T2603 PolarHBondContact O-OG1 3.22Å |
| 2604 | E | 63.5 | Low | 60.4 | Low | 75 Ų | 75 | 66.7 Ų | 66.7 | 35% | 0.35 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -81.7 | -35.1 | 174.5 | -69.2 | -150.6 | 158.9 | 0 | 0 | 113 | Y2565 Y2569 N2600 T2601 A2602 N2606 K2607 S2608 | Y2565-E2604 HydrophobicContact CE2-CB 4.22Å; Y2565-E2604 WeakPolarHBondContact OH-CB 3.32Å; Y2565-E2604 PolarHBondContact OH-OE2 2.97Å; Y2569-E2604 WeakPolarHBondContact CE2-OE2 3.3Å; N2600-E2604 WeakPolarHBondContact O-CB 3.24Å; N2600-E2604 VanDerWaalsContact O-CG 3.3Å; N2600-E2604 WeakPolarHBondContact O-CG 3.25Å; N2600-E2604 PolarHBondContact O-N 3.38Å; T2601-E2604 PolarHBondContact O-N 3.2Å; A2602-E2604 VanDerWaalsContact C-N 3.34Å; A2602-E2604 PolarHBondContact O-N 2.82Å; E2604-N2606 PolarHBondContact O-N 3.34Å; E2604-K2607 CarbonylContact O-C 3.45Å; E2604-K2607 WeakPolarHBondContact O-CA 3.33Å; E2604-K2607 WeakPolarHBondContact O-CB 3.43Å; E2604-K2607 PolarHBondContact O-N 3.32Å; E2604-S2608 PolarHBondContact O-N 3.41Å |
| 2605 | L | 63.3 | Low | 62.6 | Low | 2 Ų | 2 | 64.7 Ų | 64.7 | 1% | 0.01 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -59.5 | -35.5 | 172.2 | -163.3 | 79.9 | 0 | 0 | 0 | 110.4 | Y2565 T2601 A2602 K2607 S2608 L2611 L2761 | Y2565-L2605 HydrophobicContact CD1-CD1 3.88Å; Y2565-L2605 HydrophobicContact CD2-CD1 3.67Å; Y2565-L2605 HydrophobicContact CE1-CD1 4.43Å; Y2565-L2605 HydrophobicContact CE2-CD1 4.44Å; Y2565-L2605 HydrophobicContact CG-CD1 3.31Å; Y2565-L2605 HydrophobicContact CG-CG 4.44Å; T2601-L2605 WeakPolarHBondContact O-CB 3.34Å; T2601-L2605 PolarHBondContact O-N 3.11Å; A2602-L2605 PolarHBondContact O-N 2.78Å; L2605-K2607 PolarHBondContact O-N 3.33Å; L2605-K2607 VanDerWaalsContact O-N 3.16Å; L2605-S2608 VanDerWaalsContact O-CB 3.27Å; L2605-S2608 WeakPolarHBondContact O-CB 3.34Å; L2605-S2608 PolarHBondContact O-N 3.01Å; L2605-S2608 PolarHBondContact O-OG 3.13Å; L2605-L2611 WeakPolarHBondContact O-CB 3.29Å; L2605-L2611 WeakPolarHBondContact O-CD2 3.29Å; L2605-L2761 HydrophobicContact CB-CD2 4.5Å; L2605-L2761 HydrophobicContact CD2-CD1 4Å; L2605-L2761 HydrophobicContact CD2-CD2 3.56Å; L2605-L2761 VanDerWaalsContact CD2-CD2 3.45Å; L2605-L2761 HydrophobicContact CD2-CG 4.19Å; L2605-L2761 HydrophobicContact CG-CD2 4.5Å |
| 2606 | N | 65.4 | Low | 64.8 | Low | 61.3333 Ų | 61.3333 | 65.5 Ų | 65.5 | 33% | 0.328 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -19.3 | 172.3 | -88.2 | -45.3 | 0 | 0 | 0 | 114.5 | A2602 E2604 L2611 K2615 | A2602-N2606 WeakPolarHBondContact O-CB 3.3Å; A2602-N2606 PolarHBondContact O-N 2.95Å; A2602-N2606 VanDerWaalsContact O-N 3.11Å; A2602-N2606 PolarHBondContact O-ND2 3.24Å; A2602-N2606 VanDerWaalsContact O-ND2 3.13Å; E2604-N2606 PolarHBondContact O-N 3.34Å; N2606-L2611 HydrophobicContact CB-CD2 4.42Å; N2606-L2611 VanDerWaalsContact OD1-CD2 3.29Å; N2606-L2611 WeakPolarHBondContact OD1-CD2 3.26Å; N2606-K2615 PolarHBondContact OD1-NZ 2.93Å |
| 2607 | K | 66.9 | Low | 66.8 | Low | 171.333 Ų | 171.333 | 62.1 Ų | 62.1 | 75% | 0.745 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.3 | 0.2 | 175.2 | -58.4 | 175.8 | -175.7 | 173.1 | 0 | 112.9 | E2604 L2605 | E2604-K2607 CarbonylContact O-C 3.45Å; E2604-K2607 WeakPolarHBondContact O-CA 3.33Å; E2604-K2607 WeakPolarHBondContact O-CB 3.43Å; E2604-K2607 PolarHBondContact O-N 3.32Å; L2605-K2607 PolarHBondContact O-N 3.33Å; L2605-K2607 VanDerWaalsContact O-N 3.16Å |
| 2608 | S | 71.6 | Confident | 68.6 | Low | 9 Ų | 9 | 58.7 Ų | 58.7 | 6% | 0.063 | 30% | 0.302 | C | S | . | . | trans | -72.8 | 140.6 | -179.9 | 71.7 | 0 | 0 | 0 | 0 | 111.1 | E2604 L2605 Q2610 L2611 E2612 | E2604-S2608 PolarHBondContact O-N 3.41Å; L2605-S2608 VanDerWaalsContact O-CB 3.27Å; L2605-S2608 WeakPolarHBondContact O-CB 3.34Å; L2605-S2608 PolarHBondContact O-N 3.01Å; L2605-S2608 PolarHBondContact O-OG 3.13Å; S2608-Q2610 PolarHBondContact O-N 3.03Å; S2608-L2611 PolarHBondContact O-N 3.37Å; S2608-L2611 VanDerWaalsContact OG-CB 3.25Å; S2608-L2611 WeakPolarHBondContact OG-CB 3.35Å; S2608-L2611 PolarHBondContact OG-N 3.17Å; S2608-E2612 PolarHBondContact O-N 3.02Å | ||
| 2609 | S | 75 | Confident | 70.6 | Confident | 72.3333 Ų | 72.3333 | 53.3 Ų | 53.3 | 51% | 0.506 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -63.4 | -28.8 | 175.8 | 42.6 | 0 | 0 | 0 | 0 | 112.6 | E2612 Y2613 | S2609-E2612 PolarHBondContact O-N 3.2Å; S2609-Y2613 PolarHBondContact O-N 3.15Å |
| 2610 | Q | 75 | Confident | 72.3 | Confident | 23.6667 Ų | 23.6667 | 48.1 Ų | 48.1 | 11% | 0.111 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -66.3 | -45.2 | 177.9 | -68.9 | 75.8 | 9.7 | 0 | 0 | 111.2 | I2509 L2561 E2564 E2568 S2608 E2612 Y2613 I2614 | I2509-Q2610 HydrophobicContact CD1-CB 3.63Å; I2509-Q2610 HydrophobicContact CD1-CG 3.68Å; L2561-Q2610 HydrophobicContact CD2-CB 4.27Å; E2564-Q2610 HydrophobicContact CG-CG 4.28Å; E2568-Q2610 PolarHBondContact OE1-NE2 3.35Å; E2568-Q2610 PolarHBondContact OE2-NE2 2.82Å; E2568-Q2610 PolarHBondContact OE2-OE1 3.21Å; S2608-Q2610 PolarHBondContact O-N 3.03Å; Q2610-E2612 VanDerWaalsContact C-N 3.31Å; Q2610-E2612 PolarHBondContact O-N 3.13Å; Q2610-Y2613 WeakPolarHBondContact O-CB 3.46Å; Q2610-Y2613 PolarHBondContact O-N 2.95Å; Q2610-I2614 WeakPolarHBondContact O-CB 3.43Å; Q2610-I2614 WeakPolarHBondContact O-CG1 3.45Å; Q2610-I2614 PolarHBondContact O-N 3.16Å |
| 2611 | L | 79.1 | Confident | 73.6 | Confident | 0.333333 Ų | 0.333333 | 44.3 Ų | 44.3 | 0% | 0.002 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -66 | -38 | 177.3 | -171.2 | 71.7 | 0 | 0 | 0 | 110.9 | L2561 L2605 N2606 S2608 Y2613 I2614 K2615 L2761 F2762 | L2561-L2611 HydrophobicContact CD1-CD1 4.28Å; L2561-L2611 HydrophobicContact CD2-CD1 4.42Å; L2605-L2611 WeakPolarHBondContact O-CB 3.29Å; L2605-L2611 WeakPolarHBondContact O-CD2 3.29Å; N2606-L2611 HydrophobicContact CB-CD2 4.42Å; N2606-L2611 VanDerWaalsContact OD1-CD2 3.29Å; N2606-L2611 WeakPolarHBondContact OD1-CD2 3.26Å; S2608-L2611 PolarHBondContact O-N 3.37Å; S2608-L2611 VanDerWaalsContact OG-CB 3.25Å; S2608-L2611 WeakPolarHBondContact OG-CB 3.35Å; S2608-L2611 PolarHBondContact OG-N 3.17Å; L2611-Y2613 VanDerWaalsContact C-N 3.33Å; L2611-Y2613 PolarHBondContact O-N 2.86Å; L2611-I2614 PolarHBondContact O-N 3.3Å; L2611-K2615 HydrophobicContact CG-CD 4.41Å; L2611-K2615 WeakPolarHBondContact O-CB 3.44Å; L2611-K2615 VanDerWaalsContact O-CG 3.27Å; L2611-K2615 WeakPolarHBondContact O-CG 3.33Å; L2611-K2615 PolarHBondContact O-N 3.04Å; L2611-L2761 HydrophobicContact CD1-CB 4.41Å; L2611-L2761 HydrophobicContact CD1-CD1 4.39Å; L2611-F2762 HydrophobicContact CD1-CE1 4.19Å |
| 2612 | E | 78.9 | Confident | 74.9 | Confident | 110.667 Ų | 110.667 | 43.1 Ų | 43.1 | 52% | 0.517 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -61.7 | -42 | 174.1 | -140.5 | -150.5 | 162 | 0 | 0 | 112 | S2608 S2609 Q2610 K2615 Q2616 | S2608-E2612 PolarHBondContact O-N 3.02Å; S2609-E2612 PolarHBondContact O-N 3.2Å; Q2610-E2612 VanDerWaalsContact C-N 3.31Å; Q2610-E2612 PolarHBondContact O-N 3.13Å; E2612-K2615 PolarHBondContact O-N 3.29Å; E2612-K2615 IonicContact OE1-NZ 2.77Å; E2612-K2615 PolarHBondContact OE1-NZ 3.03Å; E2612-Q2616 WeakPolarHBondContact O-CG 3.35Å; E2612-Q2616 PolarHBondContact O-N 3.28Å |
| 2613 | Y | 80.2 | Confident | 75.7 | Confident | 67.6667 Ų | 67.6667 | 41.4 Ų | 41.4 | 27% | 0.265 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -62.7 | -46.2 | 174.5 | 175.9 | -114.8 | 0 | 0 | 0 | 112.5 | V2474 K2475 I2477 I2509 D2510 L2513 S2609 Q2610 L2611 K2615 Q2616 F2617 | V2474-Y2613 VanDerWaalsContact CG1-OH 3.29Å; V2474-Y2613 WeakPolarHBondContact CG1-OH 3.27Å; K2475-Y2613 PolarHBondContact O-OH 3.43Å; K2475-Y2613 VanDerWaalsContact O-OH 3.09Å; I2477-Y2613 HydrophobicContact CD1-CD1 3.74Å; I2477-Y2613 HydrophobicContact CD1-CD2 3.59Å; I2477-Y2613 HydrophobicContact CD1-CE1 4.02Å; I2477-Y2613 HydrophobicContact CD1-CE2 3.91Å; I2477-Y2613 HydrophobicContact CD1-CG 3.48Å; I2477-Y2613 VanDerWaalsContact CD1-CG 3.48Å; I2477-Y2613 HydrophobicContact CG1-CD2 4.45Å; I2477-Y2613 HydrophobicContact CG1-CE2 4.31Å; I2509-Y2613 HydrophobicContact CG2-CD1 4.32Å; I2509-Y2613 HydrophobicContact CG2-CE1 4.38Å; D2510-Y2613 WeakPolarHBondContact OD1-CE1 3.41Å; D2510-Y2613 VanDerWaalsContact OD1-CZ 3.26Å; D2510-Y2613 PolarHBondContact OD1-OH 3.11Å; L2513-Y2613 HydrophobicContact CD1-CD1 4.27Å; L2513-Y2613 HydrophobicContact CD1-CE1 3.82Å; S2609-Y2613 PolarHBondContact O-N 3.15Å; Q2610-Y2613 WeakPolarHBondContact O-CB 3.46Å; Q2610-Y2613 PolarHBondContact O-N 2.95Å; L2611-Y2613 VanDerWaalsContact C-N 3.33Å; L2611-Y2613 PolarHBondContact O-N 2.86Å; Y2613-K2615 VanDerWaalsContact C-N 3.32Å; Y2613-K2615 PolarHBondContact O-N 3.21Å; Y2613-Q2616 WeakPolarHBondContact O-CB 3.27Å; Y2613-Q2616 PolarHBondContact O-N 3.16Å; Y2613-Q2616 VanDerWaalsContact O-N 3.08Å; Y2613-F2617 PolarHBondContact O-N 2.82Å |
| 2614 | I | 82.1 | Confident | 76.3 | Confident | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -62.6 | -39 | 177.3 | -76.6 | 174.3 | 0 | 0 | 0 | 111.2 | I2509 L2513 L2557 L2561 Q2610 L2611 Q2616 F2617 I2619 F2762 | I2509-I2614 HydrophobicContact CD1-CD1 4.05Å; I2509-I2614 HydrophobicContact CG1-CD1 4.29Å; I2509-I2614 HydrophobicContact CG2-CD1 3.69Å; I2509-I2614 HydrophobicContact CG2-CG1 3.75Å; L2513-I2614 HydrophobicContact CD1-CG1 4.43Å; L2557-I2614 HydrophobicContact CD1-CD1 4.15Å; L2557-I2614 HydrophobicContact CD2-CG2 4.37Å; L2557-I2614 HydrophobicContact CG-CD1 4.48Å; L2561-I2614 HydrophobicContact CD1-CD1 3.67Å; L2561-I2614 HydrophobicContact CD2-CD1 3.25Å; L2561-I2614 HydrophobicContact CG-CD1 3.5Å; L2561-I2614 VanDerWaalsContact CG-CD1 3.46Å; Q2610-I2614 WeakPolarHBondContact O-CB 3.43Å; Q2610-I2614 WeakPolarHBondContact O-CG1 3.45Å; Q2610-I2614 PolarHBondContact O-N 3.16Å; L2611-I2614 PolarHBondContact O-N 3.3Å; I2614-Q2616 PolarHBondContact O-N 3.31Å; I2614-Q2616 VanDerWaalsContact O-N 3.15Å; I2614-F2617 WeakPolarHBondContact O-CB 3.45Å; I2614-F2617 PolarHBondContact O-N 2.93Å; I2614-I2619 HydrophobicContact CB-CD1 4.26Å; I2614-I2619 HydrophobicContact CG2-CD1 3.25Å; I2614-I2619 VanDerWaalsContact O-CD1 3.23Å; I2614-I2619 WeakPolarHBondContact O-CD1 3.32Å; I2614-F2762 HydrophobicContact CG2-CE1 4.1Å; I2614-F2762 HydrophobicContact CG2-CZ 3.8Å |
| 2615 | K | 81.2 | Confident | 76.6 | Confident | 53.6667 Ų | 53.6667 | 35.9 Ų | 35.9 | 23% | 0.233 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -60.6 | -24.1 | 175.2 | -77.2 | 174.8 | -179.4 | 173.9 | 0 | 113.1 | N2606 L2611 E2612 Y2613 P2630 C2631 F2762 | N2606-K2615 PolarHBondContact OD1-NZ 2.93Å; L2611-K2615 HydrophobicContact CG-CD 4.41Å; L2611-K2615 WeakPolarHBondContact O-CB 3.44Å; L2611-K2615 VanDerWaalsContact O-CG 3.27Å; L2611-K2615 WeakPolarHBondContact O-CG 3.33Å; L2611-K2615 PolarHBondContact O-N 3.04Å; E2612-K2615 PolarHBondContact O-N 3.29Å; E2612-K2615 IonicContact OE1-NZ 2.77Å; E2612-K2615 PolarHBondContact OE1-NZ 3.03Å; Y2613-K2615 VanDerWaalsContact C-N 3.32Å; Y2613-K2615 PolarHBondContact O-N 3.21Å; K2615-P2630 HydrophobicContact CB-CB 4.33Å; K2615-P2630 HydrophobicContact CG-CB 4.24Å; K2615-P2630 VanDerWaalsContact O-CD 3.29Å; K2615-P2630 WeakPolarHBondContact O-CD 3.3Å; K2615-C2631 HydrophobicContact CB-CB 4.35Å; K2615-C2631 WeakPolarHBondContact O-CB 3.28Å; K2615-C2631 PolarHBondContact O-N 2.94Å; K2615-C2631 VanDerWaalsContact O-N 3.09Å; K2615-C2631 PolarHBondContact O-SG 3.27Å; K2615-F2762 HydrophobicContact CG-CD1 4.13Å; K2615-F2762 HydrophobicContact CG-CE1 4.23Å |
| 2616 | Q | 81.2 | Confident | 77.2 | Confident | 109 Ų | 109 | 39.5 Ų | 39.5 | 51% | 0.509 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88 | -8.5 | 176.1 | -63.8 | 174.6 | 19.3 | 0 | 0 | 113.6 | E2612 Y2613 I2614 K2629 | E2612-Q2616 WeakPolarHBondContact O-CG 3.35Å; E2612-Q2616 PolarHBondContact O-N 3.28Å; Y2613-Q2616 WeakPolarHBondContact O-CB 3.27Å; Y2613-Q2616 PolarHBondContact O-N 3.16Å; Y2613-Q2616 VanDerWaalsContact O-N 3.08Å; I2614-Q2616 PolarHBondContact O-N 3.31Å; I2614-Q2616 VanDerWaalsContact O-N 3.15Å; Q2616-K2629 WeakPolarHBondContact O-CD 3.19Å; Q2616-K2629 VanDerWaalsContact O-CE 3.27Å; Q2616-K2629 WeakPolarHBondContact O-CE 3.26Å; Q2616-K2629 WeakPolarHBondContact O-CG 3.41Å |
| 2617 | F | 81.1 | Confident | 78 | Confident | 20.6667 Ų | 20.6667 | 38.2 Ų | 38.2 | 9% | 0.091 | 18% | 0.184 | C | C | . | . | S | Bend | trans | -90.6 | 140.7 | 177 | -163.4 | -91.9 | 0 | 0 | 0 | 110.8 | I2472 V2474 L2513 Y2613 I2614 I2619 P2630 | I2472-F2617 HydrophobicContact CD1-CZ 4.35Å; I2472-F2617 HydrophobicContact CG2-CE2 4.15Å; I2472-F2617 HydrophobicContact CG2-CZ 4.24Å; V2474-F2617 HydrophobicContact CG2-CE2 4.13Å; V2474-F2617 HydrophobicContact CG2-CZ 4.43Å; L2513-F2617 HydrophobicContact CB-CE1 4.34Å; L2513-F2617 HydrophobicContact CB-CE2 4.39Å; L2513-F2617 HydrophobicContact CB-CZ 4.2Å; L2513-F2617 HydrophobicContact CD1-CB 4.33Å; L2513-F2617 HydrophobicContact CD1-CD1 4.45Å; L2513-F2617 HydrophobicContact CD1-CD2 4.04Å; L2513-F2617 HydrophobicContact CD1-CE2 4.42Å; L2513-F2617 HydrophobicContact CD1-CG 4.03Å; L2513-F2617 HydrophobicContact CD2-CB 4.43Å; L2513-F2617 HydrophobicContact CD2-CD1 3.82Å; L2513-F2617 HydrophobicContact CD2-CE1 4.16Å; L2513-F2617 HydrophobicContact CD2-CG 4.14Å; L2513-F2617 HydrophobicContact CG-CG 4.48Å; Y2613-F2617 PolarHBondContact O-N 2.82Å; I2614-F2617 WeakPolarHBondContact O-CB 3.45Å; I2614-F2617 PolarHBondContact O-N 2.93Å; F2617-I2619 HydrophobicContact CB-CD1 4.25Å; F2617-I2619 HydrophobicContact CB-CG1 4.15Å; F2617-I2619 HydrophobicContact CD1-CG1 3.79Å; F2617-I2619 HydrophobicContact CG-CG1 4.45Å; F2617-I2619 WeakPolarHBondContact O-CG1 3.38Å; F2617-I2619 PolarHBondContact O-N 3Å; F2617-P2630 WeakPolarHBondContact O-CD 3.29Å |
| 2618 | P | 82.2 | Confident | 78.6 | Confident | 20.6667 Ų | 20.6667 | 31.3 Ų | 31.3 | 13% | 0.134 | 15% | 0.154 | C | C | . | . | trans | -74.6 | 93.9 | 178.5 | 28.9 | -33.7 | 0 | 0 | 0 | 111.2 | I2472 R2516 W2627 H2628 K2629 | I2472-P2618 HydrophobicContact CD1-CB 4.46Å; I2472-P2618 HydrophobicContact CD1-CG 3.45Å; R2516-P2618 PolarHBondContact NH1-O 3.28Å; P2618-W2627 HydrophobicContact CB-CB 3.93Å; P2618-H2628 CarbonylContact C-O 3.56Å; P2618-H2628 WeakPolarHBondContact CA-O 3.34Å; P2618-K2629 HydrophobicContact CB-CG 4.29Å | ||
| 2619 | I | 81.9 | Confident | 79.1 | Confident | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 17% | 0.168 | C | C | . | . | trans | -105.7 | -25.4 | -171.3 | -67 | 171.5 | 0 | 0 | 0 | 112.3 | L2513 W2553 Y2554 L2557 I2614 F2617 W2627 H2628 P2630 F2762 | L2513-I2619 HydrophobicContact CD2-CD1 4.43Å; W2553-I2619 HydrophobicContact CH2-CB 4.4Å; W2553-I2619 HydrophobicContact CH2-CG1 4.25Å; W2553-I2619 HydrophobicContact CH2-CG2 4.08Å; W2553-I2619 HydrophobicContact CZ3-CG2 4.04Å; Y2554-I2619 HydrophobicContact CD1-CG2 4.25Å; Y2554-I2619 HydrophobicContact CE1-CG2 3.62Å; Y2554-I2619 WeakPolarHBondContact CE1-O 3.28Å; Y2554-I2619 PolarHBondContact OH-O 2.93Å; L2557-I2619 HydrophobicContact CD2-CD1 4.14Å; L2557-I2619 HydrophobicContact CD2-CG2 4.46Å; I2614-I2619 HydrophobicContact CB-CD1 4.26Å; I2614-I2619 HydrophobicContact CG2-CD1 3.25Å; I2614-I2619 VanDerWaalsContact O-CD1 3.23Å; I2614-I2619 WeakPolarHBondContact O-CD1 3.32Å; F2617-I2619 HydrophobicContact CB-CD1 4.25Å; F2617-I2619 HydrophobicContact CB-CG1 4.15Å; F2617-I2619 HydrophobicContact CD1-CG1 3.79Å; F2617-I2619 HydrophobicContact CG-CG1 4.45Å; F2617-I2619 WeakPolarHBondContact O-CG1 3.38Å; F2617-I2619 PolarHBondContact O-N 3Å; I2619-W2627 WeakPolarHBondContact O-CZ3 3.41Å; I2619-H2628 PolarHBondContact N-O 3.06Å; I2619-P2630 HydrophobicContact CB-CG 4.35Å; I2619-P2630 HydrophobicContact CD1-CG 4.44Å; I2619-F2762 HydrophobicContact CD1-CZ 4.08Å; I2619-F2762 HydrophobicContact CG2-CE2 4.05Å; I2619-F2762 HydrophobicContact CG2-CZ 4.33Å | ||
| 2620 | I | 83.2 | Confident | 79.4 | Confident | 0.333333 Ų | 0.333333 | 31.9 Ų | 31.9 | 0% | 0.002 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 125.3 | -168.8 | -56.4 | 162.8 | 0 | 0 | 0 | 110.5 | W2627 H2628 P2630 I2633 L2662 F2663 M2703 F2762 L2764 | I2620-W2627 CarbonylContact O-C 3.56Å; I2620-W2627 WeakPolarHBondContact O-CA 3.41Å; I2620-H2628 PolarHBondContact N-O 3.04Å; I2620-H2628 PolarHBondContact O-N 3.22Å; I2620-P2630 HydrophobicContact CD1-CB 4.11Å; I2620-P2630 HydrophobicContact CD1-CG 3.87Å; I2620-P2630 HydrophobicContact CG1-CG 4.34Å; I2620-I2633 HydrophobicContact CB-CD1 4.16Å; I2620-I2633 HydrophobicContact CD1-CD1 3.43Å; I2620-I2633 VanDerWaalsContact CD1-CD1 3.45Å; I2620-I2633 HydrophobicContact CG1-CD1 4.38Å; I2620-I2633 HydrophobicContact CG2-CD1 4.29Å; I2620-L2662 HydrophobicContact CB-CD2 4.12Å; I2620-L2662 HydrophobicContact CG2-CD2 3.23Å; I2620-F2663 HydrophobicContact CG2-CE1 4.35Å; I2620-F2663 HydrophobicContact CG2-CZ 3.63Å; I2620-M2703 HydrophobicContact CB-CE 4.21Å; I2620-M2703 HydrophobicContact CG2-CE 3.2Å; I2620-M2703 HydrophobicContact CG2-CG 4.26Å; I2620-M2703 HydrophobicContact CG2-SD 4.1Å; I2620-F2762 HydrophobicContact CD1-CD2 4.26Å; I2620-F2762 HydrophobicContact CG1-CD2 4.4Å; I2620-L2764 HydrophobicContact CD1-CD1 3.86Å; I2620-L2764 HydrophobicContact CD1-CD2 4.12Å; I2620-L2764 HydrophobicContact CD1-CG 4.45Å; I2620-L2764 HydrophobicContact CG1-CD1 4.44Å; I2620-L2764 HydrophobicContact CG2-CD1 4.33Å |
| 2621 | L | 82.6 | Confident | 79.5 | Confident | 1 Ų | 1 | 33.5 Ų | 33.5 | 1% | 0.005 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 126.5 | -179.7 | -174.3 | 68.5 | 0 | 0 | 0 | 111.7 | L2458 L2519 F2546 L2550 W2627 M2703 A2704 H2705 | L2458-L2621 HydrophobicContact CD2-CD2 4.5Å; L2519-L2621 HydrophobicContact CD1-CD2 4.25Å; F2546-L2621 HydrophobicContact CE1-CD2 3.71Å; F2546-L2621 HydrophobicContact CZ-CD2 3.88Å; L2550-L2621 HydrophobicContact CD2-CD2 4.42Å; L2621-W2627 HydrophobicContact CB-CD2 4.31Å; L2621-W2627 HydrophobicContact CB-CE3 3.99Å; L2621-W2627 HydrophobicContact CB-CH2 4.16Å; L2621-W2627 HydrophobicContact CB-CZ2 4.42Å; L2621-W2627 HydrophobicContact CB-CZ3 3.9Å; L2621-W2627 HydrophobicContact CD1-CD2 3.98Å; L2621-W2627 HydrophobicContact CD1-CE3 4.33Å; L2621-W2627 HydrophobicContact CD1-CG 4.24Å; L2621-W2627 HydrophobicContact CD1-CZ2 4.24Å; L2621-W2627 HydrophobicContact CD2-CZ2 4.36Å; L2621-M2703 WeakPolarHBondContact O-CA 3.4Å; L2621-A2704 HydrophobicContact CD2-CB 4.02Å; L2621-A2704 HydrophobicContact CG-CB 4.01Å; L2621-A2704 PolarHBondContact O-N 3.23Å; L2621-A2704 VanDerWaalsContact O-N 3.1Å; L2621-H2705 WeakPolarHBondContact CB-NE2 3.31Å; L2621-H2705 WeakPolarHBondContact CD2-NE2 3.39Å |
| 2622 | D | 80.6 | Confident | 79.3 | Confident | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 18% | 0.182 | C | C | . | . | B | Isolated β-bridge | trans | -91.8 | 169.6 | 175 | 76.8 | 11.2 | 0 | 0 | 0 | 113.7 | L2458 F2624 G2625 Q2626 H2628 L2662 R2701 I2702 M2703 A2704 | L2458-D2622 WeakPolarHBondContact CD2-O 3.46Å; D2622-F2624 PolarHBondContact O-N 2.89Å; D2622-F2624 VanDerWaalsContact O-N 3.1Å; D2622-F2624 WeakPolarHBondContact OD1-CA 3.25Å; D2622-F2624 WeakPolarHBondContact OD1-CB 3.27Å; D2622-F2624 PolarHBondContact OD1-N 3.29Å; D2622-G2625 PolarHBondContact O-N 3.08Å; D2622-G2625 VanDerWaalsContact O-N 3.09Å; D2622-G2625 PolarHBondContact OD1-N 3.05Å; D2622-G2625 VanDerWaalsContact OD1-N 3.09Å; D2622-Q2626 PolarHBondContact N-O 3.12Å; D2622-Q2626 WeakPolarHBondContact OD1-CB 3.46Å; D2622-Q2626 PolarHBondContact OD1-N 2.97Å; D2622-H2628 IonicContact OD2-CD2 3.01Å; D2622-H2628 IonicContact OD2-CE1 3.65Å; D2622-H2628 IonicContact OD2-NE2 3.24Å; D2622-H2628 PolarHBondContact OD2-NE2 3.23Å; D2622-L2662 HydrophobicContact CB-CD1 3.98Å; D2622-R2701 HydrophobicContact CB-CG 4.26Å; D2622-R2701 WeakPolarHBondContact OD2-CD 3.43Å; D2622-R2701 IonicContact OD2-CZ 3.73Å; D2622-R2701 IonicContact OD2-NE 3.85Å; D2622-R2701 IonicContact OD2-NH1 3.39Å; D2622-R2701 PolarHBondContact OD2-NH1 3.14Å; D2622-I2702 CarbonylContact C-O 3.55Å; D2622-I2702 WeakPolarHBondContact CA-O 3.47Å; D2622-M2703 HydrophobicContact CB-SD 4.09Å; D2622-A2704 WeakPolarHBondContact O-CB 3.34Å |
| 2623 | S | 75 | Confident | 78.9 | Confident | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -10.1 | 178.2 | 55.2 | 0 | 0 | 0 | 0 | 115.9 | I2457 L2458 V2459 H2675 I2702 | I2457-S2623 CarbonylContact O-C 3.55Å; I2457-S2623 WeakPolarHBondContact O-CA 3.28Å; I2457-S2623 WeakPolarHBondContact O-CB 3.15Å; L2458-S2623 CarbonylContact C-O 3.51Å; L2458-S2623 WeakPolarHBondContact CA-O 3.34Å; V2459-S2623 PolarHBondContact N-O 3Å; S2623-H2675 VanDerWaalsContact CB-ND1 3.35Å; S2623-H2675 WeakPolarHBondContact CB-ND1 3.25Å; S2623-H2675 PolarHBondContact OG-CE1 3.24Å; S2623-H2675 PolarHBondContact OG-ND1 3.37Å; S2623-I2702 VanDerWaalsContact CB-O 3.23Å; S2623-I2702 WeakPolarHBondContact CB-O 3.42Å; S2623-I2702 PolarHBondContact N-O 2.98Å; S2623-I2702 WeakPolarHBondContact OG-CG1 3.41Å; S2623-I2702 PolarHBondContact OG-O 3.03Å; S2623-I2702 VanDerWaalsContact OG-O 3.06Å |
| 2624 | F | 71.4 | Confident | 78.1 | Confident | 23.3333 Ų | 23.3333 | 31 Ų | 31 | 10% | 0.102 | 16% | 0.157 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.5 | 5.1 | 175.8 | -62.6 | -73.7 | 0 | 0 | 0 | 112.2 | V2459 C2461 D2622 Q2626 H2675 N2678 W2679 F2696 P2698 R2701 | V2459-F2624 HydrophobicContact CB-CD1 4.47Å; V2459-F2624 HydrophobicContact CB-CE1 4.45Å; C2461-F2624 HydrophobicContact CB-CD1 4.23Å; D2622-F2624 PolarHBondContact O-N 2.89Å; D2622-F2624 VanDerWaalsContact O-N 3.1Å; D2622-F2624 WeakPolarHBondContact OD1-CA 3.25Å; D2622-F2624 WeakPolarHBondContact OD1-CB 3.27Å; D2622-F2624 PolarHBondContact OD1-N 3.29Å; F2624-Q2626 VanDerWaalsContact C-N 3.33Å; F2624-H2675 AromaticContact CE1-CE1 3.47Å; F2624-H2675 VanDerWaalsContact CE1-CE1 3.47Å; F2624-H2675 WeakPolarHBondContact CE1-CE1 2.89Å; F2624-H2675 AromaticContact CZ-CE1 3.64Å; F2624-H2675 AromaticContact CZ-ND1 3.93Å; F2624-N2678 HydrophobicContact CE2-CB 4.31Å; F2624-N2678 HydrophobicContact CZ-CB 4.01Å; F2624-W2679 AromaticContact CE1-CE3 3.84Å; F2624-W2679 HydrophobicContact CE1-CE3 3.84Å; F2624-W2679 HydrophobicContact CE1-CZ3 4.44Å; F2624-F2696 HydrophobicContact CZ-CE1 4.22Å; F2624-P2698 HydrophobicContact CE2-CG 3.78Å; F2624-P2698 HydrophobicContact CZ-CG 3.93Å; F2624-R2701 HydrophobicContact CD2-CG 4.25Å; F2624-R2701 HydrophobicContact CE2-CG 4.17Å |
| 2625 | G | 70.9 | Confident | 77 | Confident | 7.66667 Ų | 7.66667 | 33.1 Ų | 33.1 | 8% | 0.079 | 17% | 0.17 | C | C | . | . | S | Bend | trans | 78.5 | 16.7 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q2469 D2622 | Q2469-G2625 PolarHBondContact NE2-O 3.15Å; D2622-G2625 PolarHBondContact O-N 3.08Å; D2622-G2625 VanDerWaalsContact O-N 3.09Å; D2622-G2625 PolarHBondContact OD1-N 3.05Å; D2622-G2625 VanDerWaalsContact OD1-N 3.09Å |
| 2626 | Q | 75.8 | Confident | 75.6 | Confident | 77 Ų | 77 | 32.7 Ų | 32.7 | 36% | 0.36 | 17% | 0.17 | S | C | . | . | trans | -97.9 | 138 | 178.7 | -59.4 | -175.6 | -8.5 | 0 | 0 | 111.1 | D2622 F2624 H2628 | D2622-Q2626 PolarHBondContact N-O 3.12Å; D2622-Q2626 WeakPolarHBondContact OD1-CB 3.46Å; D2622-Q2626 PolarHBondContact OD1-N 2.97Å; F2624-Q2626 VanDerWaalsContact C-N 3.33Å; Q2626-H2628 PolarHBondContact O-CD2 3.02Å; Q2626-H2628 VanDerWaalsContact O-CD2 3.31Å | ||
| 2627 | W | 81.6 | Confident | 74 | Confident | 34.3333 Ų | 34.3333 | 30.4 Ų | 30.4 | 13% | 0.13 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 130.2 | 175.9 | -66.5 | 94.7 | 0 | 0 | 0 | 111.2 | R2516 F2546 L2550 W2553 P2618 I2619 I2620 L2621 | R2516-W2627 HydrophobicContact CG-CH2 4.25Å; R2516-W2627 HydrophobicContact CG-CZ2 4.35Å; F2546-W2627 HydrophobicContact CZ-CH2 4.36Å; F2546-W2627 AromaticContact CZ-CZ2 3.96Å; F2546-W2627 HydrophobicContact CZ-CZ2 4.14Å; L2550-W2627 HydrophobicContact CD1-CH2 3.69Å; L2550-W2627 HydrophobicContact CD1-CZ3 4.25Å; W2553-W2627 HydrophobicContact CZ3-CZ3 4.31Å; P2618-W2627 HydrophobicContact CB-CB 3.93Å; I2619-W2627 WeakPolarHBondContact O-CZ3 3.41Å; I2620-W2627 CarbonylContact O-C 3.56Å; I2620-W2627 WeakPolarHBondContact O-CA 3.41Å; L2621-W2627 HydrophobicContact CB-CD2 4.31Å; L2621-W2627 HydrophobicContact CB-CE3 3.99Å; L2621-W2627 HydrophobicContact CB-CH2 4.16Å; L2621-W2627 HydrophobicContact CB-CZ2 4.42Å; L2621-W2627 HydrophobicContact CB-CZ3 3.9Å; L2621-W2627 HydrophobicContact CD1-CD2 3.98Å; L2621-W2627 HydrophobicContact CD1-CE3 4.33Å; L2621-W2627 HydrophobicContact CD1-CG 4.24Å; L2621-W2627 HydrophobicContact CD1-CZ2 4.24Å; L2621-W2627 HydrophobicContact CD2-CZ2 4.36Å |
| 2628 | H | 79.9 | Confident | 72.2 | Confident | 25 Ų | 25 | 32.9 Ų | 32.9 | 12% | 0.116 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 148.4 | -177.6 | -63.4 | -76.8 | 0 | 0 | 0 | 111.6 | P2618 I2619 I2620 D2622 Q2626 I2633 L2660 R2701 | P2618-H2628 CarbonylContact C-O 3.56Å; P2618-H2628 WeakPolarHBondContact CA-O 3.34Å; I2619-H2628 PolarHBondContact N-O 3.06Å; I2620-H2628 PolarHBondContact N-O 3.04Å; I2620-H2628 PolarHBondContact O-N 3.22Å; D2622-H2628 IonicContact OD2-CD2 3.01Å; D2622-H2628 IonicContact OD2-CE1 3.65Å; D2622-H2628 IonicContact OD2-NE2 3.24Å; D2622-H2628 PolarHBondContact OD2-NE2 3.23Å; Q2626-H2628 PolarHBondContact O-CD2 3.02Å; Q2626-H2628 VanDerWaalsContact O-CD2 3.31Å; H2628-I2633 HydrophobicContact CB-CD1 3.89Å; H2628-I2633 HydrophobicContact CB-CG1 4.26Å; H2628-L2660 HydrophobicContact CB-CD2 4.41Å; H2628-L2660 VanDerWaalsContact CE1-CD2 3.46Å; H2628-L2660 WeakPolarHBondContact CE1-CD2 3.34Å; H2628-L2660 VanDerWaalsContact ND1-CD2 3.29Å; H2628-L2660 WeakPolarHBondContact ND1-CD2 3.41Å; H2628-R2701 PolarHBondContact CE1-NH1 3.22Å; H2628-R2701 PolarHBondContact NE2-NH1 2.95Å |
| 2629 | K | 82.1 | Confident | 70.1 | Confident | 83 Ų | 83 | 36.5 Ų | 36.5 | 36% | 0.361 | 21% | 0.205 | S | C | . | . | trans | -79.8 | 135.1 | 171.8 | -57.9 | 176.3 | -179.8 | 175.1 | 0 | 109.2 | Q2616 P2618 C2631 D2632 I2633 | Q2616-K2629 WeakPolarHBondContact O-CD 3.19Å; Q2616-K2629 VanDerWaalsContact O-CE 3.27Å; Q2616-K2629 WeakPolarHBondContact O-CE 3.26Å; Q2616-K2629 WeakPolarHBondContact O-CG 3.41Å; P2618-K2629 HydrophobicContact CB-CG 4.29Å; K2629-C2631 PolarHBondContact O-N 3.19Å; K2629-C2631 VanDerWaalsContact O-N 3.15Å; K2629-D2632 HydrophobicContact CB-CB 4.35Å; K2629-D2632 WeakPolarHBondContact CB-OD2 3.09Å; K2629-D2632 WeakPolarHBondContact CD-OD2 3.37Å; K2629-D2632 PolarHBondContact O-N 3.35Å; K2629-D2632 VanDerWaalsContact O-N 3.1Å; K2629-I2633 PolarHBondContact O-N 2.69Å | ||
| 2630 | P | 80.8 | Confident | 67.8 | Low | 11 Ų | 11 | 41.3 Ų | 41.3 | 7% | 0.071 | 24% | 0.239 | C | C | . | . | G | 310 helix | trans | -53.1 | -35.4 | 174.5 | -26.8 | 32.2 | 0 | 0 | 0 | 113.9 | K2615 F2617 I2619 I2620 D2632 I2633 V2634 F2762 | K2615-P2630 HydrophobicContact CB-CB 4.33Å; K2615-P2630 HydrophobicContact CG-CB 4.24Å; K2615-P2630 VanDerWaalsContact O-CD 3.29Å; K2615-P2630 WeakPolarHBondContact O-CD 3.3Å; F2617-P2630 WeakPolarHBondContact O-CD 3.29Å; I2619-P2630 HydrophobicContact CB-CG 4.35Å; I2619-P2630 HydrophobicContact CD1-CG 4.44Å; I2620-P2630 HydrophobicContact CD1-CB 4.11Å; I2620-P2630 HydrophobicContact CD1-CG 3.87Å; I2620-P2630 HydrophobicContact CG1-CG 4.34Å; P2630-D2632 VanDerWaalsContact C-N 3.3Å; P2630-D2632 PolarHBondContact O-N 3.2Å; P2630-I2633 PolarHBondContact O-N 3.12Å; P2630-V2634 PolarHBondContact O-N 3.05Å; P2630-F2762 HydrophobicContact CB-CD1 3.96Å; P2630-F2762 HydrophobicContact CB-CD2 4.31Å; P2630-F2762 HydrophobicContact CB-CE1 4.08Å; P2630-F2762 HydrophobicContact CB-CE2 4.36Å; P2630-F2762 HydrophobicContact CB-CG 4.16Å; P2630-F2762 HydrophobicContact CB-CZ 4.39Å; P2630-F2762 HydrophobicContact CG-CD1 4.19Å; P2630-F2762 HydrophobicContact CG-CD2 4.16Å; P2630-F2762 HydrophobicContact CG-CE1 3.89Å; P2630-F2762 HydrophobicContact CG-CE2 3.86Å; P2630-F2762 HydrophobicContact CG-CG 4.34Å; P2630-F2762 HydrophobicContact CG-CZ 3.72Å |
| 2631 | C | 77.3 | Confident | 65.5 | Low | 58.6667 Ų | 58.6667 | 46.1 Ų | 46.1 | 40% | 0.396 | 27% | 0.268 | S | S | . | . | G | 310 helix | trans | -66.7 | -27.3 | 177.7 | 62.5 | 0 | 0 | 0 | 0 | 114.2 | K2615 K2629 I2633 T2635 | K2615-C2631 HydrophobicContact CB-CB 4.35Å; K2615-C2631 WeakPolarHBondContact O-CB 3.28Å; K2615-C2631 PolarHBondContact O-N 2.94Å; K2615-C2631 VanDerWaalsContact O-N 3.09Å; K2615-C2631 PolarHBondContact O-SG 3.27Å; K2629-C2631 PolarHBondContact O-N 3.19Å; K2629-C2631 VanDerWaalsContact O-N 3.15Å; C2631-I2633 VanDerWaalsContact C-N 3.28Å; C2631-I2633 PolarHBondContact O-N 3.45Å; C2631-T2635 WeakPolarHBondContact O-CB 3.42Å; C2631-T2635 WeakPolarHBondContact O-CG2 3.46Å; C2631-T2635 PolarHBondContact O-N 2.93Å; C2631-T2635 VanDerWaalsContact O-N 3.1Å; C2631-T2635 PolarHBondContact O-OG1 3.14Å |
| 2632 | D | 74.3 | Confident | 63.1 | Low | 82.3333 Ų | 82.3333 | 53.3 Ų | 53.3 | 44% | 0.44 | 31% | 0.307 | S | S | . | . | G | 310 helix | trans | -80.8 | -17.1 | -179.3 | -60.4 | -14.2 | 0 | 0 | 0 | 111 | K2629 P2630 T2635 L2636 | K2629-D2632 HydrophobicContact CB-CB 4.35Å; K2629-D2632 WeakPolarHBondContact CB-OD2 3.09Å; K2629-D2632 WeakPolarHBondContact CD-OD2 3.37Å; K2629-D2632 PolarHBondContact O-N 3.35Å; K2629-D2632 VanDerWaalsContact O-N 3.1Å; P2630-D2632 VanDerWaalsContact C-N 3.3Å; P2630-D2632 PolarHBondContact O-N 3.2Å; D2632-T2635 PolarHBondContact O-OG1 2.95Å; D2632-L2636 VanDerWaalsContact O-CB 3.28Å; D2632-L2636 WeakPolarHBondContact O-CB 3.35Å; D2632-L2636 WeakPolarHBondContact O-CD1 3.43Å; D2632-L2636 WeakPolarHBondContact O-CG 3.32Å; D2632-L2636 PolarHBondContact O-N 3.37Å |
| 2633 | I | 70.7 | Confident | 60.9 | Low | 8 Ų | 8 | 60.8 Ų | 60.8 | 4% | 0.041 | 35% | 0.347 | C | S | . | . | B | Isolated β-bridge | trans | -88.8 | 133.6 | -179.1 | -65.6 | 160.1 | 0 | 0 | 0 | 110.3 | I2620 H2628 K2629 P2630 C2631 T2635 L2636 T2637 Y2661 L2662 M2703 L2764 | I2620-I2633 HydrophobicContact CB-CD1 4.16Å; I2620-I2633 HydrophobicContact CD1-CD1 3.43Å; I2620-I2633 VanDerWaalsContact CD1-CD1 3.45Å; I2620-I2633 HydrophobicContact CG1-CD1 4.38Å; I2620-I2633 HydrophobicContact CG2-CD1 4.29Å; H2628-I2633 HydrophobicContact CB-CD1 3.89Å; H2628-I2633 HydrophobicContact CB-CG1 4.26Å; K2629-I2633 PolarHBondContact O-N 2.69Å; P2630-I2633 PolarHBondContact O-N 3.12Å; C2631-I2633 VanDerWaalsContact C-N 3.28Å; C2631-I2633 PolarHBondContact O-N 3.45Å; I2633-T2635 HydrophobicContact CG2-CG2 4.4Å; I2633-T2635 PolarHBondContact O-N 2.75Å; I2633-L2636 PolarHBondContact O-N 2.7Å; I2633-T2637 PolarHBondContact O-N 2.94Å; I2633-T2637 PolarHBondContact O-OG1 2.62Å; I2633-Y2661 HydrophobicContact CB-CG 4.5Å; I2633-Y2661 HydrophobicContact CG1-CD1 4.1Å; I2633-Y2661 HydrophobicContact CG1-CD2 4.25Å; I2633-Y2661 HydrophobicContact CG1-CE1 4.42Å; I2633-Y2661 HydrophobicContact CG1-CG 3.99Å; I2633-Y2661 HydrophobicContact CG2-CD2 4.34Å; I2633-Y2661 HydrophobicContact CG2-CG 4.13Å; I2633-L2662 HydrophobicContact CD1-CB 4.16Å; I2633-L2662 HydrophobicContact CD1-CD2 3.64Å; I2633-L2662 HydrophobicContact CD1-CG 4.48Å; I2633-L2662 HydrophobicContact CG1-CB 4.26Å; I2633-L2662 HydrophobicContact CG1-CD2 4.5Å; I2633-L2662 HydrophobicContact CG2-CB 3.72Å; I2633-M2703 HydrophobicContact CD1-CE 3.29Å; I2633-M2703 HydrophobicContact CG1-CE 3.87Å; I2633-L2764 HydrophobicContact CB-CD2 4.36Å; I2633-L2764 HydrophobicContact CD1-CD2 4.37Å; I2633-L2764 HydrophobicContact CG2-CD2 4.02Å |
| 2634 | V | 64.7 | Low | 58.8 | Low | 35.6667 Ų | 35.6667 | 63.5 Ų | 63.5 | 22% | 0.216 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 101.9 | 177 | -174.2 | 0 | 0 | 0 | 0 | 110.5 | P2630 T2637 S2638 K2659 L2660 Y2661 L2764 M2880 | P2630-V2634 PolarHBondContact O-N 3.05Å; V2634-T2637 PolarHBondContact O-N 2.86Å; V2634-T2637 PolarHBondContact O-OG1 3.37Å; V2634-S2638 WeakPolarHBondContact O-CB 3.4Å; V2634-S2638 PolarHBondContact O-N 3.24Å; V2634-S2638 PolarHBondContact O-OG 3.12Å; V2634-K2659 HydrophobicContact CB-CB 4.47Å; V2634-K2659 HydrophobicContact CG2-CB 3.67Å; V2634-K2659 HydrophobicContact CG2-CD 3.97Å; V2634-K2659 HydrophobicContact CG2-CG 3.72Å; V2634-L2660 PolarHBondContact N-O 2.9Å; V2634-Y2661 HydrophobicContact CB-CD1 4.12Å; V2634-Y2661 HydrophobicContact CB-CE1 3.92Å; V2634-Y2661 HydrophobicContact CG1-CD1 4.21Å; V2634-Y2661 HydrophobicContact CG1-CE1 3.79Å; V2634-Y2661 HydrophobicContact CG2-CE1 4.27Å; V2634-Y2661 VanDerWaalsContact O-CD1 3.29Å; V2634-Y2661 WeakPolarHBondContact O-CD1 2.92Å; V2634-L2764 HydrophobicContact CG2-CD2 4.48Å; V2634-M2880 HydrophobicContact CB-CE 4.33Å; V2634-M2880 HydrophobicContact CG1-CE 3.42Å; V2634-M2880 VanDerWaalsContact CG1-CE 3.42Å |
| 2635 | T | 58.8 | Low | 56.9 | Low | 44.3333 Ų | 44.3333 | 70.7 Ų | 70.7 | 27% | 0.272 | 41% | 0.408 | S | S | . | . | P | Polyproline II helix | trans | -91.6 | 163.8 | 176.8 | 54.2 | 0 | 0 | 0 | 0 | 111.5 | C2631 D2632 I2633 T2637 S2638 F2762 N2763 L2764 | C2631-T2635 WeakPolarHBondContact O-CB 3.42Å; C2631-T2635 WeakPolarHBondContact O-CG2 3.46Å; C2631-T2635 PolarHBondContact O-N 2.93Å; C2631-T2635 VanDerWaalsContact O-N 3.1Å; C2631-T2635 PolarHBondContact O-OG1 3.14Å; D2632-T2635 PolarHBondContact O-OG1 2.95Å; I2633-T2635 HydrophobicContact CG2-CG2 4.4Å; I2633-T2635 PolarHBondContact O-N 2.75Å; T2635-T2637 VanDerWaalsContact C-N 3.29Å; T2635-T2637 PolarHBondContact O-N 3.31Å; T2635-S2638 PolarHBondContact O-N 3.01Å; T2635-S2638 PolarHBondContact O-OG 2.96Å; T2635-S2638 VanDerWaalsContact O-OG 3.07Å; T2635-F2762 VanDerWaalsContact CG2-O 3.3Å; T2635-F2762 WeakPolarHBondContact CG2-O 3.47Å; T2635-N2763 WeakPolarHBondContact CB-O 3.42Å; T2635-N2763 WeakPolarHBondContact CG2-O 3.37Å; T2635-L2764 HydrophobicContact CG2-CD2 4.31Å |
| 2636 | L | 51.3 | Low | 55.2 | Low | 45.3333 Ų | 45.3333 | 77 Ų | 77 | 24% | 0.237 | 44% | 0.44 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | -23.4 | 179.7 | -76.5 | 168 | 0 | 0 | 0 | 114.2 | D2632 I2633 Y2661 F2663 P2765 V2770 Y2877 | D2632-L2636 VanDerWaalsContact O-CB 3.28Å; D2632-L2636 WeakPolarHBondContact O-CB 3.35Å; D2632-L2636 WeakPolarHBondContact O-CD1 3.43Å; D2632-L2636 WeakPolarHBondContact O-CG 3.32Å; D2632-L2636 PolarHBondContact O-N 3.37Å; I2633-L2636 PolarHBondContact O-N 2.7Å; L2636-Y2661 HydrophobicContact CB-CE2 4.24Å; L2636-Y2661 HydrophobicContact CD1-CD2 4.48Å; L2636-Y2661 HydrophobicContact CD1-CE2 3.5Å; L2636-Y2661 VanDerWaalsContact CD1-CE2 3.5Å; L2636-Y2661 HydrophobicContact CD2-CD1 4.4Å; L2636-Y2661 HydrophobicContact CD2-CE1 4.31Å; L2636-Y2661 HydrophobicContact CG-CE2 4.49Å; L2636-F2663 HydrophobicContact CD1-CE1 4.04Å; L2636-P2765 HydrophobicContact CD1-CB 3.98Å; L2636-P2765 HydrophobicContact CD1-CG 4.38Å; L2636-P2765 HydrophobicContact CG-CB 4.14Å; L2636-P2765 HydrophobicContact CG-CG 4.44Å; L2636-V2770 HydrophobicContact CD1-CG1 4.33Å; L2636-Y2877 HydrophobicContact CD2-CD2 4.18Å; L2636-Y2877 HydrophobicContact CD2-CE1 4.09Å; L2636-Y2877 HydrophobicContact CD2-CE2 3.28Å; L2636-Y2877 WeakPolarHBondContact CD2-OH 3.44Å |
| 2637 | T | 48.3 | Very low | 53.1 | Low | 59.6667 Ų | 59.6667 | 81.2 Ų | 81.2 | 37% | 0.366 | 46% | 0.464 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.8 | 5.7 | -175.9 | 51.5 | 0 | 0 | 0 | 0 | 113.7 | I2633 V2634 T2635 T2639 P2765 | I2633-T2637 PolarHBondContact O-N 2.94Å; I2633-T2637 PolarHBondContact O-OG1 2.62Å; V2634-T2637 PolarHBondContact O-N 2.86Å; V2634-T2637 PolarHBondContact O-OG1 3.37Å; T2635-T2637 VanDerWaalsContact C-N 3.29Å; T2635-T2637 PolarHBondContact O-N 3.31Å; T2637-T2639 PolarHBondContact O-N 3.11Å; T2637-P2765 HydrophobicContact CG2-CG 4.39Å |
| 2638 | S | 43.3 | Very low | 50.9 | Low | 74.3333 Ų | 74.3333 | 86.1 Ų | 86.1 | 52% | 0.52 | 49% | 0.493 | S | S | . | . | trans | -78.1 | 59.5 | 176.5 | 15.2 | 0 | 0 | 0 | 0 | 111.5 | V2634 T2635 S2640 | V2634-S2638 WeakPolarHBondContact O-CB 3.4Å; V2634-S2638 PolarHBondContact O-N 3.24Å; V2634-S2638 PolarHBondContact O-OG 3.12Å; T2635-S2638 PolarHBondContact O-N 3.01Å; T2635-S2638 PolarHBondContact O-OG 2.96Å; T2635-S2638 VanDerWaalsContact O-OG 3.07Å; S2638-S2640 PolarHBondContact O-N 3.4Å; S2638-S2640 VanDerWaalsContact O-N 3.12Å | ||
| 2639 | T | 37.5 | Very low | 48.7 | Very low | 95 Ų | 95 | 91.9 Ų | 91.9 | 58% | 0.583 | 53% | 0.525 | S | S | * | . | trans | -59.8 | 108.5 | 170.2 | 40.2 | 0 | 0 | 0 | 0 | 108.4 | T2637 T2641 | T2637-T2639 PolarHBondContact O-N 3.11Å; T2639-T2641 PolarHBondContact O-N 2.97Å | ||
| 2640 | S | 34.6 | Very low | 46.4 | Very low | 101.667 Ų | 101.667 | 93.5 Ų | 93.5 | 71% | 0.711 | 54% | 0.542 | S | S | * | . | trans | -64.2 | 92.6 | 163.3 | 58.4 | 0 | 0 | 0 | 0 | 107.8 | S2638 N2642 | S2638-S2640 PolarHBondContact O-N 3.4Å; S2638-S2640 VanDerWaalsContact O-N 3.12Å; S2640-N2642 PolarHBondContact O-N 3.02Å; S2640-N2642 VanDerWaalsContact O-N 3.1Å | ||
| 2641 | T | 34.4 | Very low | 44 | Very low | 101.333 Ų | 101.333 | 100.3 Ų | 100.3 | 62% | 0.622 | 58% | 0.578 | S | S | * | * | trans | -66.1 | 118.2 | 163.2 | 39.1 | 0 | 0 | 0 | 0 | 106.7 | T2639 D2643 | T2639-T2641 PolarHBondContact O-N 2.97Å; T2641-D2643 PolarHBondContact O-N 3.37Å | ||
| 2642 | N | 32.4 | Very low | 41.8 | Very low | 152.667 Ų | 152.667 | 103.1 Ų | 103.1 | 82% | 0.816 | 59% | 0.589 | S | S | * | * | trans | -31.5 | 78.1 | 165 | -70.9 | -26.7 | 0 | 0 | 0 | 110.9 | S2640 G2644 | S2640-N2642 PolarHBondContact O-N 3.02Å; S2640-N2642 VanDerWaalsContact O-N 3.1Å; N2642-G2644 PolarHBondContact O-N 3.18Å; N2642-G2644 VanDerWaalsContact O-N 3.1Å | ||
| 2643 | D | 33.3 | Very low | 39.9 | Very low | 157.333 Ų | 157.333 | 104 Ų | 104 | 84% | 0.841 | 60% | 0.599 | S | S | * | * | trans | -70.6 | 76.1 | 153.5 | -71.8 | -24.9 | 0 | 0 | 0 | 107.1 | T2641 H2645 | T2641-D2643 PolarHBondContact O-N 3.37Å; D2643-H2645 PolarHBondContact O-N 2.99Å | ||
| 2644 | G | 31.2 | Very low | 38 | Very low | 56.3333 Ų | 56.3333 | 109.8 Ų | 109.8 | 58% | 0.581 | 63% | 0.631 | S | S | * | * | trans | -122.2 | 80.6 | 169.5 | 0 | 0 | 0 | 0 | 0 | 108.1 | N2642 | N2642-G2644 PolarHBondContact O-N 3.18Å; N2642-G2644 VanDerWaalsContact O-N 3.1Å | ||
| 2645 | H | 32.8 | Very low | 36.6 | Very low | 174.667 Ų | 174.667 | 116.5 Ų | 116.5 | 81% | 0.809 | 66% | 0.659 | S | S | * | * | trans | 143.4 | 99 | 157.1 | -81.1 | -46.8 | 0 | 0 | 0 | 111.1 | D2643 | D2643-H2645 PolarHBondContact O-N 2.99Š| ||
| 2646 | D | 33.5 | Very low | 35.6 | Very low | 138.667 Ų | 138.667 | 121.2 Ų | 121.2 | 74% | 0.742 | 68% | 0.678 | S | S | * | * | 167.7 | 106.6 | 124.4 | -74.5 | -30.5 | 0 | 0 | 0 | 112.5 | D2648 | D2646-D2648 PolarHBondContact O-N 3.07Å; D2646-D2648 VanDerWaalsContact O-N 3.12Å | |||
| 2647 | D | 33.1 | Very low | 35.2 | Very low | 165 Ų | 165 | 122.1 Ų | 122.1 | 88% | 0.882 | 69% | 0.688 | S | S | * | * | trans | -35.8 | 73.2 | 151.3 | -82.7 | -27.8 | 0 | 0 | 0 | 112 | N2649 | D2647-N2649 PolarHBondContact O-N 2.94Š| ||
| 2648 | D | 33.8 | Very low | 35.2 | Very low | 137.667 Ų | 137.667 | 124.8 Ų | 124.8 | 74% | 0.736 | 70% | 0.7 | S | S | * | * | trans | -136.6 | 123.9 | 141.9 | -110.9 | -21.2 | 0 | 0 | 0 | 111.1 | D2646 T2650 | D2646-D2648 PolarHBondContact O-N 3.07Å; D2646-D2648 VanDerWaalsContact O-N 3.12Å; D2648-T2650 VanDerWaalsContact C-N 3.27Å; D2648-T2650 PolarHBondContact O-N 3.11Å; D2648-T2650 PolarHBondContact O-OG1 2.71Å | ||
| 2649 | N | 34.1 | Very low | 35.9 | Very low | 148 Ų | 148 | 125.1 Ų | 125.1 | 79% | 0.791 | 69% | 0.692 | S | S | * | * | trans | -66 | 58.8 | -177.8 | -118.2 | -29.6 | 0 | 0 | 0 | 112.2 | D2647 N2651 | D2647-N2649 PolarHBondContact O-N 2.94Å; N2649-N2651 PolarHBondContact O-N 2.99Å | ||
| 2650 | T | 34.5 | Very low | 37.3 | Very low | 116.667 Ų | 116.667 | 121.2 Ų | 121.2 | 72% | 0.716 | 67% | 0.668 | S | S | * | * | trans | -100.2 | 99.2 | 164.6 | 51.5 | 0 | 0 | 0 | 0 | 108.9 | D2648 D2652 | D2648-T2650 VanDerWaalsContact C-N 3.27Å; D2648-T2650 PolarHBondContact O-N 3.11Å; D2648-T2650 PolarHBondContact O-OG1 2.71Å; T2650-D2652 VanDerWaalsContact C-N 3.27Å; T2650-D2652 PolarHBondContact O-N 3.04Å | ||
| 2651 | N | 30.9 | Very low | 39.1 | Very low | 152 Ų | 152 | 117.1 Ų | 117.1 | 81% | 0.813 | 64% | 0.637 | S | S | * | * | trans | -61.1 | 68.5 | 166 | -72.4 | -51.5 | 0 | 0 | 0 | 110.4 | N2649 P2653 | N2649-N2651 PolarHBondContact O-N 2.99Å; N2651-P2653 WeakPolarHBondContact O-CD 3.1Å | ||
| 2652 | D | 30.6 | Very low | 41.1 | Very low | 118 Ų | 118 | 112.3 Ų | 112.3 | 63% | 0.631 | 61% | 0.607 | S | S | * | * | trans | -93.1 | 108.8 | 165.6 | -131 | -16.3 | 0 | 0 | 0 | 107.1 | T2650 N2654 H2655 | T2650-D2652 VanDerWaalsContact C-N 3.27Å; T2650-D2652 PolarHBondContact O-N 3.04Å; D2652-N2654 PolarHBondContact O-N 3.29Å; D2652-H2655 PolarHBondContact O-N 3.28Å | ||
| 2653 | P | 33 | Very low | 43.2 | Very low | 101.667 Ų | 101.667 | 105.2 Ų | 105.2 | 66% | 0.66 | 57% | 0.569 | S | S | * | * | trans | -73.3 | 32 | -176.7 | 19.1 | -13.4 | 0 | 0 | 0 | 110.5 | N2651 H2655 | N2651-P2653 WeakPolarHBondContact O-CD 3.1Å; P2653-H2655 PolarHBondContact O-N 3.24Å | ||
| 2654 | N | 32.7 | Very low | 45.4 | Very low | 130.333 Ų | 130.333 | 97.7 Ų | 97.7 | 70% | 0.697 | 53% | 0.53 | S | S | * | . | trans | -73.9 | 45.9 | 169.2 | -87.5 | -17.5 | 0 | 0 | 0 | 110 | D2652 Q2656 S2657 | D2652-N2654 PolarHBondContact O-N 3.29Å; N2654-Q2656 PolarHBondContact O-N 3.04Å; N2654-S2657 PolarHBondContact O-OG 3.31Å | ||
| 2655 | H | 34 | Very low | 47.4 | Very low | 175 Ų | 175 | 95.7 Ų | 95.7 | 81% | 0.81 | 50% | 0.504 | S | S | * | . | trans | -58.5 | 61.6 | 159.6 | -80.6 | -60.6 | 0 | 0 | 0 | 110 | D2652 P2653 S2657 | D2652-H2655 PolarHBondContact O-N 3.28Å; P2653-H2655 PolarHBondContact O-N 3.24Å; H2655-S2657 VanDerWaalsContact C-N 3.33Å; H2655-S2657 PolarHBondContact O-N 2.95Å | ||
| 2656 | Q | 37.3 | Very low | 49.2 | Very low | 144.333 Ų | 144.333 | 88.2 Ų | 88.2 | 67% | 0.674 | 47% | 0.471 | S | S | * | . | trans | -62.6 | 63.2 | 163 | -102.3 | 169 | -6.8 | 0 | 0 | 107.6 | N2654 N2658 | N2654-Q2656 PolarHBondContact O-N 3.04Å; Q2656-N2658 VanDerWaalsContact C-N 3.32Å; Q2656-N2658 PolarHBondContact O-N 3Å | ||
| 2657 | S | 43.1 | Very low | 51 | Low | 63.3333 Ų | 63.3333 | 85 Ų | 85 | 44% | 0.443 | 45% | 0.451 | S | S | . | . | trans | -63.8 | 86.8 | -172 | 53.3 | 0 | 0 | 0 | 0 | 110.3 | N2654 H2655 K2659 | N2654-S2657 PolarHBondContact O-OG 3.31Å; H2655-S2657 VanDerWaalsContact C-N 3.33Å; H2655-S2657 PolarHBondContact O-N 2.95Å; S2657-K2659 WeakPolarHBondContact O-CG 3.26Å; S2657-K2659 PolarHBondContact O-N 3.1Å; S2657-K2659 VanDerWaalsContact OG-CD 3.28Å; S2657-K2659 WeakPolarHBondContact OG-CD 3.05Å; S2657-K2659 WeakPolarHBondContact OG-CE 3.36Å; S2657-K2659 PolarHBondContact OG-NZ 3.09Å; S2657-K2659 VanDerWaalsContact OG-NZ 3.09Å | ||
| 2658 | N | 49.4 | Very low | 52.6 | Low | 117 Ų | 117 | 78.7 Ų | 78.7 | 63% | 0.626 | 42% | 0.419 | S | S | * | . | trans | -73.7 | 74.5 | -177 | -74.3 | -14.7 | 0 | 0 | 0 | 112 | Q2656 L2660 N2697 M2880 | Q2656-N2658 VanDerWaalsContact C-N 3.32Å; Q2656-N2658 PolarHBondContact O-N 3Å; N2658-L2660 PolarHBondContact O-N 3.36Å; N2658-L2660 VanDerWaalsContact O-N 3.14Å; N2658-N2697 HydrophobicContact CB-CB 4.38Å; N2658-N2697 WeakPolarHBondContact CB-ND2 3.19Å; N2658-N2697 WeakPolarHBondContact ND2-CB 3.44Å; N2658-N2697 PolarHBondContact ND2-ND2 2.94Å; N2658-M2880 HydrophobicContact CB-CE 3.43Å; N2658-M2880 VanDerWaalsContact CB-CE 3.43Å; N2658-M2880 HydrophobicContact CB-SD 3.72Å; N2658-M2880 WeakPolarHBondContact OD1-CE 3.22Å | ||
| 2659 | K | 58.2 | Low | 54.3 | Low | 79.6667 Ų | 79.6667 | 75 Ų | 75 | 35% | 0.346 | 40% | 0.398 | S | S | . | . | trans | -81.2 | 116.6 | 179.5 | -76.1 | 176.8 | 176.5 | 175.3 | 0 | 109.6 | V2634 S2657 Y2661 N2697 | V2634-K2659 HydrophobicContact CB-CB 4.47Å; V2634-K2659 HydrophobicContact CG2-CB 3.67Å; V2634-K2659 HydrophobicContact CG2-CD 3.97Å; V2634-K2659 HydrophobicContact CG2-CG 3.72Å; S2657-K2659 WeakPolarHBondContact O-CG 3.26Å; S2657-K2659 PolarHBondContact O-N 3.1Å; S2657-K2659 VanDerWaalsContact OG-CD 3.28Å; S2657-K2659 WeakPolarHBondContact OG-CD 3.05Å; S2657-K2659 WeakPolarHBondContact OG-CE 3.36Å; S2657-K2659 PolarHBondContact OG-NZ 3.09Å; S2657-K2659 VanDerWaalsContact OG-NZ 3.09Å; K2659-Y2661 HydrophobicContact CB-CE2 3.81Å; K2659-Y2661 VanDerWaalsContact O-CD2 3.31Å; K2659-Y2661 WeakPolarHBondContact O-CD2 3.44Å; K2659-Y2661 VanDerWaalsContact O-CE2 3.32Å; K2659-Y2661 WeakPolarHBondContact O-CE2 3.24Å; K2659-N2697 WeakPolarHBondContact CE-OD1 3.36Å | ||
| 2660 | L | 66.6 | Low | 56.2 | Low | 13.6667 Ų | 13.6667 | 68.3 Ų | 68.3 | 7% | 0.072 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 124.4 | 173.8 | -156.1 | 78.5 | 0 | 0 | 0 | 110 | H2628 V2634 N2658 L2662 P2698 M2699 F2700 R2701 Y2877 M2880 | H2628-L2660 HydrophobicContact CB-CD2 4.41Å; H2628-L2660 VanDerWaalsContact CE1-CD2 3.46Å; H2628-L2660 WeakPolarHBondContact CE1-CD2 3.34Å; H2628-L2660 VanDerWaalsContact ND1-CD2 3.29Å; H2628-L2660 WeakPolarHBondContact ND1-CD2 3.41Å; V2634-L2660 PolarHBondContact N-O 2.9Å; N2658-L2660 PolarHBondContact O-N 3.36Å; N2658-L2660 VanDerWaalsContact O-N 3.14Å; L2660-L2662 HydrophobicContact CB-CD1 4.49Å; L2660-L2662 HydrophobicContact CB-CG 4.37Å; L2660-L2662 HydrophobicContact CD2-CD1 4.2Å; L2660-L2662 HydrophobicContact CD2-CD2 3.99Å; L2660-L2662 HydrophobicContact CD2-CG 4.18Å; L2660-P2698 WeakPolarHBondContact CD1-O 3.43Å; L2660-M2699 HydrophobicContact CD1-CB 4.29Å; L2660-M2699 WeakPolarHBondContact CD1-O 3.27Å; L2660-M2699 PolarHBondContact N-O 3.38Å; L2660-F2700 HydrophobicContact CB-CD1 3.7Å; L2660-F2700 HydrophobicContact CB-CE1 4.04Å; L2660-F2700 HydrophobicContact CD2-CD1 4.43Å; L2660-F2700 HydrophobicContact CD2-CE1 4.16Å; L2660-F2700 CarbonylContact O-C 3.58Å; L2660-F2700 WeakPolarHBondContact O-CA 3.46Å; L2660-R2701 HydrophobicContact CD1-CB 4.34Å; L2660-R2701 HydrophobicContact CD1-CG 3.77Å; L2660-R2701 PolarHBondContact O-N 3.11Å; L2660-Y2877 HydrophobicContact CD1-CD1 4.08Å; L2660-Y2877 HydrophobicContact CD1-CE1 4.38Å; L2660-Y2877 HydrophobicContact CD2-CD1 3.74Å; L2660-Y2877 HydrophobicContact CD2-CE1 3.6Å; L2660-Y2877 HydrophobicContact CG-CD1 4.29Å; L2660-Y2877 HydrophobicContact CG-CE1 4.14Å; L2660-M2880 HydrophobicContact CD1-SD 3.81Å |
| 2661 | Y | 71.3 | Confident | 58.1 | Low | 15 Ų | 15 | 62.9 Ų | 62.9 | 6% | 0.059 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 118.8 | 173.2 | -65.2 | -92.5 | 0 | 0 | 0 | 109.1 | I2633 V2634 L2636 K2659 P2698 M2699 F2700 R2701 M2703 P2765 M2880 | I2633-Y2661 HydrophobicContact CB-CG 4.5Å; I2633-Y2661 HydrophobicContact CG1-CD1 4.1Å; I2633-Y2661 HydrophobicContact CG1-CD2 4.25Å; I2633-Y2661 HydrophobicContact CG1-CE1 4.42Å; I2633-Y2661 HydrophobicContact CG1-CG 3.99Å; I2633-Y2661 HydrophobicContact CG2-CD2 4.34Å; I2633-Y2661 HydrophobicContact CG2-CG 4.13Å; V2634-Y2661 HydrophobicContact CB-CD1 4.12Å; V2634-Y2661 HydrophobicContact CB-CE1 3.92Å; V2634-Y2661 HydrophobicContact CG1-CD1 4.21Å; V2634-Y2661 HydrophobicContact CG1-CE1 3.79Å; V2634-Y2661 HydrophobicContact CG2-CE1 4.27Å; V2634-Y2661 VanDerWaalsContact O-CD1 3.29Å; V2634-Y2661 WeakPolarHBondContact O-CD1 2.92Å; L2636-Y2661 HydrophobicContact CB-CE2 4.24Å; L2636-Y2661 HydrophobicContact CD1-CD2 4.48Å; L2636-Y2661 HydrophobicContact CD1-CE2 3.5Å; L2636-Y2661 VanDerWaalsContact CD1-CE2 3.5Å; L2636-Y2661 HydrophobicContact CD2-CD1 4.4Å; L2636-Y2661 HydrophobicContact CD2-CE1 4.31Å; L2636-Y2661 HydrophobicContact CG-CE2 4.49Å; K2659-Y2661 HydrophobicContact CB-CE2 3.81Å; K2659-Y2661 VanDerWaalsContact O-CD2 3.31Å; K2659-Y2661 WeakPolarHBondContact O-CD2 3.44Å; K2659-Y2661 VanDerWaalsContact O-CE2 3.32Å; K2659-Y2661 WeakPolarHBondContact O-CE2 3.24Å; Y2661-P2698 HydrophobicContact CD2-CB 3.45Å; Y2661-P2698 VanDerWaalsContact CD2-CB 3.45Å; Y2661-P2698 HydrophobicContact CE2-CB 3.18Å; Y2661-P2698 HydrophobicContact CE2-CG 4.18Å; Y2661-M2699 HydrophobicContact CD2-CG 4.35Å; Y2661-M2699 HydrophobicContact CE2-CE 4.11Å; Y2661-M2699 PolarHBondContact N-O 3.25Å; Y2661-F2700 HydrophobicContact CD2-CD1 4.37Å; Y2661-F2700 AromaticContact CD2-CE1 3.92Å; Y2661-F2700 HydrophobicContact CD2-CE1 4.16Å; Y2661-F2700 HydrophobicContact CG-CD1 4.24Å; Y2661-F2700 HydrophobicContact CG-CE1 4.22Å; Y2661-F2700 CarbonylContact O-C 3.52Å; Y2661-F2700 WeakPolarHBondContact O-CA 3.33Å; Y2661-R2701 WeakPolarHBondContact CA-O 3.45Å; Y2661-R2701 HydrophobicContact CD1-CB 3.85Å; Y2661-R2701 HydrophobicContact CE1-CB 4.1Å; Y2661-R2701 HydrophobicContact CE1-CG 4.41Å; Y2661-R2701 HydrophobicContact CG-CB 4.47Å; Y2661-R2701 PolarHBondContact O-N 3.06Å; Y2661-M2703 HydrophobicContact CD1-CE 3.73Å; Y2661-M2703 HydrophobicContact CD1-SD 4.26Å; Y2661-M2703 HydrophobicContact CG-CE 4.24Å; Y2661-P2765 WeakPolarHBondContact O-CG 3.44Å; Y2661-M2880 HydrophobicContact CD1-CE 4.32Å; Y2661-M2880 HydrophobicContact CD1-SD 4.33Å; Y2661-M2880 HydrophobicContact CE1-CB 4.06Å; Y2661-M2880 HydrophobicContact CE1-CE 3.8Å; Y2661-M2880 HydrophobicContact CE1-CG 3.83Å; Y2661-M2880 HydrophobicContact CE1-SD 3.82Å |
| 2662 | L | 77.5 | Confident | 60 | Low | 0.666667 Ų | 0.666667 | 59.4 Ų | 59.4 | 0% | 0.003 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 131.7 | -176.1 | -143.8 | 103.1 | 0 | 0 | 0 | 110.8 | I2620 D2622 I2633 L2660 I2674 F2700 R2701 M2703 I2767 F2871 | I2620-L2662 HydrophobicContact CB-CD2 4.12Å; I2620-L2662 HydrophobicContact CG2-CD2 3.23Å; D2622-L2662 HydrophobicContact CB-CD1 3.98Å; I2633-L2662 HydrophobicContact CD1-CB 4.16Å; I2633-L2662 HydrophobicContact CD1-CD2 3.64Å; I2633-L2662 HydrophobicContact CD1-CG 4.48Å; I2633-L2662 HydrophobicContact CG1-CB 4.26Å; I2633-L2662 HydrophobicContact CG1-CD2 4.5Å; I2633-L2662 HydrophobicContact CG2-CB 3.72Å; L2660-L2662 HydrophobicContact CB-CD1 4.49Å; L2660-L2662 HydrophobicContact CB-CG 4.37Å; L2660-L2662 HydrophobicContact CD2-CD1 4.2Å; L2660-L2662 HydrophobicContact CD2-CD2 3.99Å; L2660-L2662 HydrophobicContact CD2-CG 4.18Å; L2662-I2674 HydrophobicContact CD1-CD1 3.93Å; L2662-F2700 HydrophobicContact CD1-CD1 3.7Å; L2662-F2700 HydrophobicContact CD1-CE1 4.32Å; L2662-R2701 CarbonylContact C-O 3.48Å; L2662-R2701 WeakPolarHBondContact CA-O 3.11Å; L2662-R2701 HydrophobicContact CD1-CB 3.57Å; L2662-R2701 PolarHBondContact N-O 2.71Å; L2662-M2703 HydrophobicContact CD2-CG 4.27Å; L2662-M2703 HydrophobicContact CG-CG 4.43Å; L2662-M2703 PolarHBondContact O-N 3.2Å; L2662-M2703 VanDerWaalsContact O-N 3.08Å; L2662-I2767 HydrophobicContact CB-CD1 3.66Å; L2662-I2767 HydrophobicContact CB-CG1 3.57Å; L2662-I2767 HydrophobicContact CD1-CD1 4.45Å; L2662-I2767 HydrophobicContact CD1-CG1 4.16Å; L2662-I2767 HydrophobicContact CD2-CG1 3.88Å; L2662-I2767 HydrophobicContact CG-CG1 4.08Å; L2662-F2871 HydrophobicContact CD1-CE1 4.12Å; L2662-F2871 HydrophobicContact CD1-CZ 4.16Å |
| 2663 | F | 76.9 | Confident | 62 | Low | 3.33333 Ų | 3.33333 | 54.4 Ų | 54.4 | 2% | 0.015 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 138 | 176.9 | -65.5 | -89.8 | 0 | 0 | 0 | 112.3 | I2620 L2636 I2674 F2700 R2701 I2702 M2703 L2707 L2764 P2765 V2766 I2767 V2770 F2871 | I2620-F2663 HydrophobicContact CG2-CE1 4.35Å; I2620-F2663 HydrophobicContact CG2-CZ 3.63Å; L2636-F2663 HydrophobicContact CD1-CE1 4.04Å; F2663-I2674 HydrophobicContact CD2-CD1 4.23Å; F2663-I2674 HydrophobicContact CE2-CD1 4.34Å; F2663-F2700 HydrophobicContact CE2-CB 4.36Å; F2663-F2700 AromaticContact CE2-CD1 3.81Å; F2663-F2700 HydrophobicContact CE2-CD1 3.81Å; F2663-F2700 HydrophobicContact CE2-CG 4.45Å; F2663-F2700 HydrophobicContact CZ-CD1 4.38Å; F2663-R2701 PolarHBondContact N-O 3.4Å; F2663-I2702 WeakPolarHBondContact O-CA 3.29Å; F2663-M2703 HydrophobicContact CD1-CB 3.55Å; F2663-M2703 HydrophobicContact CD1-CG 4.01Å; F2663-M2703 HydrophobicContact CD2-CB 4.32Å; F2663-M2703 HydrophobicContact CD2-CG 3.86Å; F2663-M2703 HydrophobicContact CE1-CB 3.4Å; F2663-M2703 HydrophobicContact CE1-CG 3.71Å; F2663-M2703 HydrophobicContact CE2-CB 4.18Å; F2663-M2703 HydrophobicContact CE2-CE 4.1Å; F2663-M2703 HydrophobicContact CE2-CG 3.54Å; F2663-M2703 HydrophobicContact CG-CB 4.03Å; F2663-M2703 HydrophobicContact CG-CG 4.09Å; F2663-M2703 HydrophobicContact CZ-CB 3.76Å; F2663-M2703 HydrophobicContact CZ-CE 4.14Å; F2663-M2703 HydrophobicContact CZ-CG 3.49Å; F2663-M2703 VanDerWaalsContact CZ-CG 3.49Å; F2663-M2703 HydrophobicContact CZ-SD 4.46Å; F2663-M2703 PolarHBondContact O-N 3.46Å; F2663-L2707 HydrophobicContact CB-CD1 4.35Å; F2663-L2764 HydrophobicContact CD2-CB 3.91Å; F2663-L2764 HydrophobicContact CD2-CD1 4.49Å; F2663-L2764 HydrophobicContact CE2-CB 3.64Å; F2663-L2764 HydrophobicContact CE2-CD1 3.51Å; F2663-L2764 HydrophobicContact CE2-CD2 4.24Å; F2663-L2764 HydrophobicContact CE2-CG 3.97Å; F2663-L2764 HydrophobicContact CZ-CB 4.48Å; F2663-L2764 HydrophobicContact CZ-CD1 3.57Å; F2663-P2765 WeakPolarHBondContact CA-O 3.34Å; F2663-P2765 HydrophobicContact CD1-CB 3.89Å; F2663-P2765 HydrophobicContact CD1-CG 3.51Å; F2663-P2765 VanDerWaalsContact CD1-CG 3.5Å; F2663-P2765 HydrophobicContact CE1-CB 4.1Å; F2663-P2765 HydrophobicContact CE1-CG 3.73Å; F2663-P2765 HydrophobicContact CG-CG 4.4Å; F2663-P2765 PolarHBondContact N-O 3.42Å; F2663-V2766 CarbonylContact O-C 3.37Å; F2663-V2766 WeakPolarHBondContact O-CA 3.43Å; F2663-I2767 HydrophobicContact CB-CB 4.06Å; F2663-I2767 HydrophobicContact CB-CD1 3.24Å; F2663-I2767 HydrophobicContact CB-CG1 3.36Å; F2663-I2767 HydrophobicContact CD1-CB 4.47Å; F2663-I2767 HydrophobicContact CD1-CG1 3.74Å; F2663-I2767 HydrophobicContact CD2-CD1 4.4Å; F2663-I2767 HydrophobicContact CD2-CG1 4.25Å; F2663-I2767 HydrophobicContact CG-CB 4.42Å; F2663-I2767 HydrophobicContact CG-CD1 3.88Å; F2663-I2767 HydrophobicContact CG-CG1 3.54Å; F2663-I2767 WeakPolarHBondContact O-CB 3.11Å; F2663-I2767 VanDerWaalsContact O-CG1 3.3Å; F2663-I2767 WeakPolarHBondContact O-CG1 3.08Å; F2663-I2767 PolarHBondContact O-N 2.96Å; F2663-V2770 HydrophobicContact CE1-CG2 4.19Å; F2663-F2871 HydrophobicContact CE1-CE1 4.29Å; F2663-F2871 HydrophobicContact CZ-CE1 4.32Å |
| 2664 | A | 77.8 | Confident | 63.9 | Low | 1.66667 Ų | 1.66667 | 49.7 Ų | 49.7 | 1% | 0.014 | 25% | 0.247 | C | C | . | . | B | Isolated β-bridge | trans | -88.3 | 148.2 | 163.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | A2671 M2703 L2707 L2759 L2764 P2765 V2766 I2767 | A2664-A2671 HydrophobicContact CB-CB 3.75Å; A2664-M2703 VanDerWaalsContact CA-CE 3.47Å; A2664-M2703 HydrophobicContact CB-CE 3.27Å; A2664-M2703 HydrophobicContact CB-SD 3.95Å; A2664-L2707 HydrophobicContact CB-CD1 3.96Å; A2664-L2707 HydrophobicContact CB-CD2 4.09Å; A2664-L2707 HydrophobicContact CB-CG 4.07Å; A2664-L2759 HydrophobicContact CB-CD2 4.21Å; A2664-L2764 HydrophobicContact CB-CB 4.41Å; A2664-P2765 PolarHBondContact N-O 3.3Å; A2664-V2766 HydrophobicContact CB-CG2 4.3Å; A2664-V2766 CarbonylContact O-C 3.58Å; A2664-V2766 WeakPolarHBondContact O-CA 3.25Å; A2664-I2767 HydrophobicContact CB-CD1 3.94Å; A2664-I2767 PolarHBondContact O-N 3.04Å |
| 2665 | W | 75 | Confident | 65.8 | Low | 13.3333 Ų | 13.3333 | 44.3 Ų | 44.3 | 5% | 0.051 | 22% | 0.218 | C | C | . | . | trans | -136 | 171.1 | -179.2 | 91.2 | -63 | 0 | 0 | 0 | 111.8 | D2454 Q2455 I2457 P2668 A2671 M2703 H2705 S2706 L2707 H2755 L2759 V2766 I2767 D2768 E2840 | D2454-W2665 WeakPolarHBondContact O-CH2 3.48Å; Q2455-W2665 WeakPolarHBondContact O-CH2 3.41Å; I2457-W2665 HydrophobicContact CD1-CH2 4.16Å; I2457-W2665 HydrophobicContact CD1-CZ2 3.81Å; I2457-W2665 HydrophobicContact CG1-CH2 4.29Å; I2457-W2665 HydrophobicContact CG1-CZ2 3.93Å; W2665-P2668 HydrophobicContact CE3-CB 4.45Å; W2665-P2668 HydrophobicContact CH2-CB 4.29Å; W2665-P2668 VanDerWaalsContact CZ3-CA 3.45Å; W2665-P2668 HydrophobicContact CZ3-CB 3.8Å; W2665-P2668 HydrophobicContact CZ3-CG 3.88Å; W2665-A2671 HydrophobicContact CB-CB 3.87Å; W2665-A2671 HydrophobicContact CD2-CB 3.41Å; W2665-A2671 VanDerWaalsContact CD2-CB 3.45Å; W2665-A2671 HydrophobicContact CE3-CB 3.82Å; W2665-A2671 HydrophobicContact CG-CB 3.43Å; W2665-A2671 VanDerWaalsContact CG-CB 3.43Å; W2665-A2671 HydrophobicContact CZ2-CB 4.37Å; W2665-A2671 HydrophobicContact CZ3-CB 4.36Å; W2665-M2703 PolarHBondContact NE1-O 2.81Å; W2665-H2705 PolarHBondContact NE1-O 2.97Å; W2665-S2706 VanDerWaalsContact CZ3-CB 3.45Å; W2665-S2706 CarbonylContact O-C 3.52Å; W2665-S2706 WeakPolarHBondContact O-CA 3.43Å; W2665-L2707 HydrophobicContact CB-CB 3.98Å; W2665-L2707 HydrophobicContact CB-CD1 3.75Å; W2665-L2707 HydrophobicContact CD2-CB 3.77Å; W2665-L2707 HydrophobicContact CD2-CD1 3.87Å; W2665-L2707 HydrophobicContact CD2-CG 4.35Å; W2665-L2707 HydrophobicContact CE3-CD1 4.03Å; W2665-L2707 HydrophobicContact CG-CB 3.39Å; W2665-L2707 HydrophobicContact CG-CD1 3.78Å; W2665-L2707 HydrophobicContact CG-CG 4.21Å; W2665-L2707 PolarHBondContact O-N 2.83Å; W2665-H2755 AromaticContact CH2-CD2 3.12Å; W2665-H2755 WeakPolarHBondContact CH2-CD2 3.46Å; W2665-H2755 AromaticContact CH2-NE2 3.45Å; W2665-H2755 WeakPolarHBondContact CH2-NE2 3.29Å; W2665-H2755 AromaticContact CZ2-CD2 3.93Å; W2665-H2755 AromaticContact CZ3-CD2 3.66Å; W2665-H2755 AromaticContact CZ3-NE2 3.67Å; W2665-L2759 HydrophobicContact CE3-CD1 3.57Å; W2665-L2759 HydrophobicContact CH2-CD1 3.88Å; W2665-L2759 HydrophobicContact CZ3-CD1 3.17Å; W2665-V2766 HydrophobicContact CB-CG1 3.92Å; W2665-V2766 HydrophobicContact CE3-CG1 4.48Å; W2665-I2767 HydrophobicContact CB-CD1 4.17Å; W2665-I2767 HydrophobicContact CB-CG2 3.56Å; W2665-D2768 WeakPolarHBondContact CA-OD2 3.36Å; W2665-D2768 WeakPolarHBondContact CB-OD2 3.47Å; W2665-D2768 PolarHBondContact N-OD2 3.33Å; W2665-E2840 WeakPolarHBondContact CH2-OE1 3.29Å; W2665-E2840 WeakPolarHBondContact CZ2-OE1 3.36Å | ||
| 2666 | S | 70.1 | Confident | 67.4 | Low | 16.3333 Ų | 16.3333 | 38.8 Ų | 38.8 | 11% | 0.114 | 19% | 0.193 | C | C | . | . | S | Bend | trans | -111.9 | -27.2 | 179.6 | 66.2 | 0 | 0 | 0 | 0 | 112.4 | D2768 P2962 Y2963 | S2666-D2768 VanDerWaalsContact CA-OD2 3.26Å; S2666-D2768 WeakPolarHBondContact CA-OD2 3.19Å; S2666-D2768 VanDerWaalsContact CB-OD2 3.28Å; S2666-D2768 WeakPolarHBondContact CB-OD2 3.45Å; S2666-D2768 PolarHBondContact N-OD2 2.98Å; S2666-D2768 WeakPolarHBondContact OG-CB 3.37Å; S2666-D2768 VanDerWaalsContact OG-CG 3.25Å; S2666-D2768 PolarHBondContact OG-OD2 3.1Å; S2666-D2768 VanDerWaalsContact OG-OD2 3.09Å; S2666-P2962 WeakPolarHBondContact O-CB 3.4Å; S2666-Y2963 VanDerWaalsContact CB-CE1 3.42Å |
| 2667 | K | 70.1 | Confident | 68.9 | Low | 72.6667 Ų | 72.6667 | 33.7 Ų | 33.7 | 32% | 0.316 | 17% | 0.169 | S | C | . | . | S | Bend | trans | -108.1 | 110.7 | 177.6 | -53.3 | 174.2 | -178.2 | 168.1 | 0 | 111.5 | I2669 H2670 D2768 P2962 Y2963 | K2667-I2669 HydrophobicContact CB-CG2 4.39Å; K2667-I2669 PolarHBondContact O-N 3.24Å; K2667-I2669 VanDerWaalsContact O-N 3.16Å; K2667-H2670 VanDerWaalsContact CB-ND1 3.28Å; K2667-H2670 WeakPolarHBondContact CB-ND1 3.19Å; K2667-H2670 WeakPolarHBondContact CD-CE1 2.91Å; K2667-H2670 WeakPolarHBondContact CD-NE2 3.35Å; K2667-H2670 WeakPolarHBondContact O-CB 3.27Å; K2667-H2670 PolarHBondContact O-N 3.25Å; K2667-D2768 WeakPolarHBondContact CB-OD1 3.3Å; K2667-D2768 HydrophobicContact CD-CB 4.19Å; K2667-D2768 HydrophobicContact CG-CB 4.07Å; K2667-D2768 VanDerWaalsContact CG-OD1 3.3Å; K2667-D2768 WeakPolarHBondContact CG-OD1 3.27Å; K2667-D2768 PolarHBondContact N-OD1 3.03Å; K2667-D2768 PolarHBondContact N-OD2 2.99Å; K2667-P2962 WeakPolarHBondContact CA-O 3.37Å; K2667-P2962 WeakPolarHBondContact CB-O 3.37Å; K2667-P2962 HydrophobicContact CD-CB 4Å; K2667-P2962 HydrophobicContact CG-CB 4.09Å; K2667-Y2963 HydrophobicContact CG-CD1 4.13Å; K2667-Y2963 HydrophobicContact CG-CE1 4.02Å |
| 2668 | P | 68.2 | Low | 70.1 | Confident | 32.3333 Ų | 32.3333 | 30.9 Ų | 30.9 | 21% | 0.21 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -61 | -28.3 | -176.4 | 8.5 | -12.8 | 0 | 0 | 0 | 113.7 | D2454 W2665 H2670 A2671 R2672 P2962 | D2454-P2668 HydrophobicContact CB-CG 4.36Å; D2454-P2668 VanDerWaalsContact O-CB 3.28Å; D2454-P2668 WeakPolarHBondContact O-CB 3.41Å; D2454-P2668 WeakPolarHBondContact O-CG 3.43Å; W2665-P2668 HydrophobicContact CE3-CB 4.45Å; W2665-P2668 HydrophobicContact CH2-CB 4.29Å; W2665-P2668 VanDerWaalsContact CZ3-CA 3.45Å; W2665-P2668 HydrophobicContact CZ3-CB 3.8Å; W2665-P2668 HydrophobicContact CZ3-CG 3.88Å; P2668-H2670 PolarHBondContact O-N 3.2Å; P2668-A2671 PolarHBondContact O-N 3.22Å; P2668-R2672 VanDerWaalsContact O-CB 3.26Å; P2668-R2672 WeakPolarHBondContact O-CB 3.43Å; P2668-R2672 VanDerWaalsContact O-CG 3.31Å; P2668-R2672 WeakPolarHBondContact O-CG 3.49Å; P2668-R2672 PolarHBondContact O-N 3.14Å; P2668-P2962 WeakPolarHBondContact CD-O 3.3Å; P2668-P2962 VanDerWaalsContact CG-O 3.3Å; P2668-P2962 WeakPolarHBondContact CG-O 3.29Å |
| 2669 | I | 69.6 | Low | 70.8 | Confident | 60 Ų | 60 | 30.1 Ų | 30.1 | 31% | 0.308 | 14% | 0.138 | S | C | . | . | H | α-helix | trans | -60.6 | -42.6 | -179.6 | -137.1 | 101.1 | 0 | 0 | 0 | 112 | K2667 A2671 R2672 L2673 L2773 F2892 | K2667-I2669 HydrophobicContact CB-CG2 4.39Å; K2667-I2669 PolarHBondContact O-N 3.24Å; K2667-I2669 VanDerWaalsContact O-N 3.16Å; I2669-A2671 VanDerWaalsContact C-N 3.3Å; I2669-A2671 PolarHBondContact O-N 3.42Å; I2669-R2672 PolarHBondContact O-N 3.19Å; I2669-L2673 HydrophobicContact CD1-CD1 4.49Å; I2669-L2673 HydrophobicContact CG1-CD1 4.2Å; I2669-L2673 HydrophobicContact CG2-CD1 4.39Å; I2669-L2673 WeakPolarHBondContact O-CG 3.46Å; I2669-L2673 PolarHBondContact O-N 2.88Å; I2669-L2673 VanDerWaalsContact O-N 3.09Å; I2669-L2773 HydrophobicContact CG2-CD1 4.04Å; I2669-F2892 HydrophobicContact CD1-CE1 4.08Å; I2669-F2892 HydrophobicContact CD1-CZ 4.07Å |
| 2670 | H | 74.1 | Confident | 71.1 | Confident | 8 Ų | 8 | 31.5 Ų | 31.5 | 4% | 0.037 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -67.1 | -43.5 | -179.5 | -60 | 89.2 | 0 | 0 | 0 | 111.1 | K2667 P2668 R2672 L2673 I2674 I2767 D2768 S2771 L2773 L2869 | K2667-H2670 VanDerWaalsContact CB-ND1 3.28Å; K2667-H2670 WeakPolarHBondContact CB-ND1 3.19Å; K2667-H2670 WeakPolarHBondContact CD-CE1 2.91Å; K2667-H2670 WeakPolarHBondContact CD-NE2 3.35Å; K2667-H2670 WeakPolarHBondContact O-CB 3.27Å; K2667-H2670 PolarHBondContact O-N 3.25Å; P2668-H2670 PolarHBondContact O-N 3.2Å; H2670-R2672 VanDerWaalsContact C-N 3.27Å; H2670-R2672 PolarHBondContact O-N 3.14Å; H2670-L2673 PolarHBondContact O-N 3.29Å; H2670-I2674 WeakPolarHBondContact O-CG1 3.48Å; H2670-I2674 PolarHBondContact O-N 3.04Å; H2670-I2767 HydrophobicContact CB-CD1 4.18Å; H2670-I2767 HydrophobicContact CB-CG1 4.14Å; H2670-I2767 HydrophobicContact CB-CG2 3.67Å; H2670-I2767 VanDerWaalsContact CB-CG2 3.44Å; H2670-D2768 WeakPolarHBondContact CB-OD1 3.34Å; H2670-D2768 IonicContact CE1-OD1 3.23Å; H2670-D2768 PolarHBondContact CE1-OD1 3.06Å; H2670-D2768 IonicContact CG-OD1 3.72Å; H2670-D2768 IonicContact ND1-OD1 3.82Å; H2670-D2768 PolarHBondContact ND1-OD1 3.06Å; H2670-S2771 PolarHBondContact CD2-OG 2.82Å; H2670-S2771 VanDerWaalsContact CD2-OG 3.28Å; H2670-L2773 VanDerWaalsContact CD2-CD1 3.5Å; H2670-L2773 WeakPolarHBondContact CD2-CD1 3.26Å; H2670-L2773 VanDerWaalsContact CE1-CD1 3.48Å; H2670-L2773 WeakPolarHBondContact CE1-CD1 3.39Å; H2670-L2773 VanDerWaalsContact CE1-CG 3.49Å; H2670-L2773 WeakPolarHBondContact CE1-CG 3.27Å; H2670-L2773 WeakPolarHBondContact NE2-CD1 3.11Å; H2670-L2773 VanDerWaalsContact NE2-CG 3.31Å; H2670-L2773 WeakPolarHBondContact NE2-CG 3.28Å; H2670-L2869 HydrophobicContact CB-CD1 4.47Å; H2670-L2869 WeakPolarHBondContact CD2-CD1 3.35Å |
| 2671 | A | 74 | Confident | 70.9 | Confident | 3 Ų | 3 | 34.6 Ų | 34.6 | 3% | 0.025 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -61.8 | -44.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | I2457 A2664 W2665 P2668 I2669 L2673 I2674 H2675 I2702 | I2457-A2671 HydrophobicContact CD1-CB 3.42Å; I2457-A2671 VanDerWaalsContact CD1-CB 3.47Å; A2664-A2671 HydrophobicContact CB-CB 3.75Å; W2665-A2671 HydrophobicContact CB-CB 3.87Å; W2665-A2671 HydrophobicContact CD2-CB 3.41Å; W2665-A2671 VanDerWaalsContact CD2-CB 3.45Å; W2665-A2671 HydrophobicContact CE3-CB 3.82Å; W2665-A2671 HydrophobicContact CG-CB 3.43Å; W2665-A2671 VanDerWaalsContact CG-CB 3.43Å; W2665-A2671 HydrophobicContact CZ2-CB 4.37Å; W2665-A2671 HydrophobicContact CZ3-CB 4.36Å; P2668-A2671 PolarHBondContact O-N 3.22Å; I2669-A2671 VanDerWaalsContact C-N 3.3Å; I2669-A2671 PolarHBondContact O-N 3.42Å; A2671-L2673 VanDerWaalsContact C-N 3.34Å; A2671-L2673 PolarHBondContact O-N 2.9Å; A2671-I2674 PolarHBondContact O-N 3.42Å; A2671-H2675 VanDerWaalsContact O-CB 3.22Å; A2671-H2675 WeakPolarHBondContact O-CB 3.39Å; A2671-H2675 PolarHBondContact O-CD2 3.08Å; A2671-H2675 PolarHBondContact O-N 3Å; A2671-I2702 HydrophobicContact CB-CD1 3.8Å; A2671-I2702 HydrophobicContact CB-CG2 4.47Å; A2671-I2702 VanDerWaalsContact O-CD1 3.26Å; A2671-I2702 WeakPolarHBondContact O-CD1 3.4Å |
| 2672 | R | 71.1 | Confident | 70.4 | Confident | 78.6667 Ų | 78.6667 | 37.7 Ų | 37.7 | 30% | 0.297 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -61.8 | -39.9 | 178.4 | -140.1 | 173.3 | 179 | -173.7 | -4.3 | 112.6 | N2453 D2454 I2457 P2668 I2669 H2670 H2675 E2676 D2949 | N2453-R2672 PolarHBondContact O-NH2 3.19Å; D2454-R2672 IonicContact OD1-CZ 2.95Å; D2454-R2672 IonicContact OD1-NH1 3.46Å; D2454-R2672 PolarHBondContact OD1-NH1 3.09Å; D2454-R2672 IonicContact OD1-NH2 2.85Å; D2454-R2672 PolarHBondContact OD1-NH2 3.09Å; I2457-R2672 HydrophobicContact CD1-CG 3.87Å; I2457-R2672 HydrophobicContact CG1-CG 4.47Å; P2668-R2672 VanDerWaalsContact O-CB 3.26Å; P2668-R2672 WeakPolarHBondContact O-CB 3.43Å; P2668-R2672 VanDerWaalsContact O-CG 3.31Å; P2668-R2672 WeakPolarHBondContact O-CG 3.49Å; P2668-R2672 PolarHBondContact O-N 3.14Å; I2669-R2672 PolarHBondContact O-N 3.19Å; H2670-R2672 VanDerWaalsContact C-N 3.27Å; H2670-R2672 PolarHBondContact O-N 3.14Å; R2672-H2675 PolarHBondContact O-N 3.01Å; R2672-E2676 HydrophobicContact CG-CG 4.42Å; R2672-E2676 IonicContact CZ-OE1 3.64Å; R2672-E2676 IonicContact NE-OE1 3.72Å; R2672-E2676 PolarHBondContact NE-OE1 3.29Å; R2672-E2676 IonicContact NH2-OE1 2.69Å; R2672-E2676 WeakPolarHBondContact O-CB 3.39Å; R2672-E2676 WeakPolarHBondContact O-CG 3.28Å; R2672-E2676 PolarHBondContact O-N 3.32Å; R2672-E2676 VanDerWaalsContact O-N 3.09Å; R2672-D2949 IonicContact CZ-OD1 2.75Å; R2672-D2949 IonicContact CZ-OD2 3.67Å; R2672-D2949 IonicContact NH1-OD1 3.14Å; R2672-D2949 PolarHBondContact NH1-OD1 2.8Å; R2672-D2949 VanDerWaalsContact NH2-CG 3.28Å; R2672-D2949 IonicContact NH2-OD1 3.78Å; R2672-D2949 PolarHBondContact NH2-OD1 3.26Å; R2672-D2949 IonicContact NH2-OD2 2.9Å; R2672-D2949 PolarHBondContact NH2-OD2 3.37Å |
| 2673 | L | 71.5 | Confident | 69.6 | Low | 13.3333 Ų | 13.3333 | 40.3 Ų | 40.3 | 7% | 0.07 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -63.1 | -44.8 | 176.8 | -73.5 | 171.1 | 0 | 0 | 0 | 112.2 | I2669 H2670 A2671 H2675 E2676 M2677 L2773 L2869 L2888 K2890 F2892 | I2669-L2673 HydrophobicContact CD1-CD1 4.49Å; I2669-L2673 HydrophobicContact CG1-CD1 4.2Å; I2669-L2673 HydrophobicContact CG2-CD1 4.39Å; I2669-L2673 WeakPolarHBondContact O-CG 3.46Å; I2669-L2673 PolarHBondContact O-N 2.88Å; I2669-L2673 VanDerWaalsContact O-N 3.09Å; H2670-L2673 PolarHBondContact O-N 3.29Å; A2671-L2673 VanDerWaalsContact C-N 3.34Å; A2671-L2673 PolarHBondContact O-N 2.9Å; L2673-H2675 VanDerWaalsContact C-N 3.34Å; L2673-E2676 PolarHBondContact O-N 3.3Å; L2673-M2677 PolarHBondContact O-N 2.97Å; L2673-M2677 VanDerWaalsContact O-N 3.14Å; L2673-L2773 HydrophobicContact CD1-CD2 3.72Å; L2673-L2869 HydrophobicContact CD1-CB 4.17Å; L2673-L2888 HydrophobicContact CB-CD1 4.35Å; L2673-L2888 HydrophobicContact CB-CD2 3.99Å; L2673-L2888 HydrophobicContact CD1-CD1 3.92Å; L2673-L2888 HydrophobicContact CD2-CD1 3.46Å; L2673-L2888 VanDerWaalsContact CD2-CD1 3.46Å; L2673-L2888 HydrophobicContact CD2-CD2 3.8Å; L2673-L2888 HydrophobicContact CD2-CG 4.25Å; L2673-L2888 HydrophobicContact CG-CD1 4.07Å; L2673-L2888 HydrophobicContact CG-CD2 4.42Å; L2673-K2890 HydrophobicContact CD2-CB 3.75Å; L2673-F2892 HydrophobicContact CD2-CE1 4.47Å; L2673-F2892 HydrophobicContact CD2-CE2 4.48Å; L2673-F2892 HydrophobicContact CD2-CZ 3.83Å |
| 2674 | I | 73.4 | Confident | 68.7 | Low | 1.66667 Ų | 1.66667 | 42.8 Ų | 42.8 | 1% | 0.009 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -66.3 | -41.3 | 176.7 | -64.6 | -178.1 | 0 | 0 | 0 | 110.8 | L2662 F2663 H2670 A2671 E2676 M2677 N2678 F2700 I2702 I2767 L2869 I2886 L2888 | L2662-I2674 HydrophobicContact CD1-CD1 3.93Å; F2663-I2674 HydrophobicContact CD2-CD1 4.23Å; F2663-I2674 HydrophobicContact CE2-CD1 4.34Å; H2670-I2674 WeakPolarHBondContact O-CG1 3.48Å; H2670-I2674 PolarHBondContact O-N 3.04Å; A2671-I2674 PolarHBondContact O-N 3.42Å; I2674-E2676 PolarHBondContact O-N 3.1Å; I2674-M2677 WeakPolarHBondContact O-CB 3.44Å; I2674-M2677 PolarHBondContact O-N 3.18Å; I2674-N2678 PolarHBondContact O-N 3.03Å; I2674-N2678 VanDerWaalsContact O-N 3.14Å; I2674-N2678 PolarHBondContact O-ND2 2.82Å; I2674-F2700 HydrophobicContact CG2-CB 3.94Å; I2674-F2700 HydrophobicContact CG2-CG 4.23Å; I2674-I2702 HydrophobicContact CB-CD1 3.67Å; I2674-I2702 HydrophobicContact CB-CG1 4.07Å; I2674-I2702 HydrophobicContact CB-CG2 4.04Å; I2674-I2702 HydrophobicContact CD1-CG2 4.22Å; I2674-I2702 HydrophobicContact CG2-CD1 3.59Å; I2674-I2702 HydrophobicContact CG2-CG1 3.6Å; I2674-I2702 HydrophobicContact CG2-CG2 3.86Å; I2674-I2767 HydrophobicContact CD1-CD1 3.42Å; I2674-I2767 HydrophobicContact CD1-CG1 4.21Å; I2674-I2767 HydrophobicContact CD1-CG2 4.19Å; I2674-I2767 HydrophobicContact CG1-CD1 3.54Å; I2674-L2869 HydrophobicContact CD1-CD2 4.21Å; I2674-L2869 HydrophobicContact CG1-CD2 4.19Å; I2674-I2886 HydrophobicContact CD1-CD1 4.47Å; I2674-L2888 HydrophobicContact CG1-CD1 3.97Å |
| 2675 | H | 72 | Confident | 67.5 | Low | 18.3333 Ų | 18.3333 | 47.1 Ų | 47.1 | 9% | 0.085 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -62.7 | -46.4 | 178.9 | -151.4 | -56 | 0 | 0 | 0 | 112.6 | I2457 V2459 S2623 F2624 A2671 R2672 L2673 M2677 N2678 W2679 I2702 | I2457-H2675 HydrophobicContact CG2-CB 3.95Å; I2457-H2675 WeakPolarHBondContact CG2-CD2 3.44Å; V2459-H2675 WeakPolarHBondContact CG2-CE1 3.33Å; V2459-H2675 WeakPolarHBondContact CG2-NE2 3.46Å; S2623-H2675 VanDerWaalsContact CB-ND1 3.35Å; S2623-H2675 WeakPolarHBondContact CB-ND1 3.25Å; S2623-H2675 PolarHBondContact OG-CE1 3.24Å; S2623-H2675 PolarHBondContact OG-ND1 3.37Å; F2624-H2675 AromaticContact CE1-CE1 3.47Å; F2624-H2675 VanDerWaalsContact CE1-CE1 3.47Å; F2624-H2675 WeakPolarHBondContact CE1-CE1 2.89Å; F2624-H2675 AromaticContact CZ-CE1 3.64Å; F2624-H2675 AromaticContact CZ-ND1 3.93Å; A2671-H2675 VanDerWaalsContact O-CB 3.22Å; A2671-H2675 WeakPolarHBondContact O-CB 3.39Å; A2671-H2675 PolarHBondContact O-CD2 3.08Å; A2671-H2675 PolarHBondContact O-N 3Å; R2672-H2675 PolarHBondContact O-N 3.01Å; L2673-H2675 VanDerWaalsContact C-N 3.34Å; H2675-M2677 VanDerWaalsContact C-N 3.29Å; H2675-M2677 PolarHBondContact O-N 3.31Å; H2675-N2678 PolarHBondContact O-N 3.33Å; H2675-W2679 WeakPolarHBondContact O-CB 3.24Å; H2675-W2679 PolarHBondContact O-N 3.1Å; H2675-I2702 HydrophobicContact CB-CD1 3.95Å; H2675-I2702 HydrophobicContact CB-CG1 4.25Å; H2675-I2702 WeakPolarHBondContact CD2-CD1 3.47Å; H2675-I2702 VanDerWaalsContact CG-CD1 3.4Å; H2675-I2702 WeakPolarHBondContact NE2-CD1 3.31Å |
| 2676 | E | 67.9 | Low | 66.4 | Low | 59 Ų | 59 | 52.7 Ų | 52.7 | 28% | 0.276 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -59.9 | -37.6 | 176 | -83.7 | -108.6 | 176.1 | 0 | 0 | 112.4 | R2672 L2673 I2674 W2679 K2680 K2890 | R2672-E2676 HydrophobicContact CG-CG 4.42Å; R2672-E2676 IonicContact CZ-OE1 3.64Å; R2672-E2676 IonicContact NE-OE1 3.72Å; R2672-E2676 PolarHBondContact NE-OE1 3.29Å; R2672-E2676 IonicContact NH2-OE1 2.69Å; R2672-E2676 WeakPolarHBondContact O-CB 3.39Å; R2672-E2676 WeakPolarHBondContact O-CG 3.28Å; R2672-E2676 PolarHBondContact O-N 3.32Å; R2672-E2676 VanDerWaalsContact O-N 3.09Å; L2673-E2676 PolarHBondContact O-N 3.3Å; I2674-E2676 PolarHBondContact O-N 3.1Å; E2676-W2679 PolarHBondContact O-N 3.01Å; E2676-K2680 WeakPolarHBondContact O-CB 3.18Å; E2676-K2680 VanDerWaalsContact O-CG 3.28Å; E2676-K2680 WeakPolarHBondContact O-CG 3.37Å; E2676-K2680 PolarHBondContact O-N 3.37Å; E2676-K2890 IonicContact OE1-NZ 3.1Å; E2676-K2890 PolarHBondContact OE1-NZ 3.03Å; E2676-K2890 VanDerWaalsContact OE1-NZ 3.08Å |
| 2677 | M | 68.3 | Low | 65.6 | Low | 37.3333 Ų | 37.3333 | 58.7 Ų | 58.7 | 18% | 0.184 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -62.2 | -49.4 | 174.2 | 176.7 | -168.4 | 168.8 | 0 | 0 | 111.4 | L2673 I2674 H2675 W2679 K2680 Q2681 F2700 I2886 L2888 | L2673-M2677 PolarHBondContact O-N 2.97Å; L2673-M2677 VanDerWaalsContact O-N 3.14Å; I2674-M2677 WeakPolarHBondContact O-CB 3.44Å; I2674-M2677 PolarHBondContact O-N 3.18Å; H2675-M2677 VanDerWaalsContact C-N 3.29Å; H2675-M2677 PolarHBondContact O-N 3.31Å; M2677-W2679 VanDerWaalsContact C-N 3.26Å; M2677-W2679 PolarHBondContact O-N 2.92Å; M2677-K2680 PolarHBondContact O-N 3.08Å; M2677-Q2681 VanDerWaalsContact CE-NE2 3.32Å; M2677-Q2681 WeakPolarHBondContact O-CB 3.28Å; M2677-Q2681 PolarHBondContact O-N 3.36Å; M2677-F2700 HydrophobicContact CE-CD2 4.13Å; M2677-F2700 HydrophobicContact CE-CE2 3.84Å; M2677-F2700 HydrophobicContact SD-CD2 3.77Å; M2677-F2700 HydrophobicContact SD-CE2 3.8Å; M2677-I2886 HydrophobicContact CE-CD1 4.03Å; M2677-I2886 HydrophobicContact CE-CG2 3.92Å; M2677-I2886 HydrophobicContact SD-CG2 3.47Å; M2677-I2886 WeakPolarHBondContact SD-CG2 3.4Å; M2677-L2888 HydrophobicContact CB-CD2 3.27Å; M2677-L2888 HydrophobicContact CG-CD2 3.83Å; M2677-L2888 HydrophobicContact SD-CD2 3.48Å; M2677-L2888 WeakPolarHBondContact SD-CD2 3.45Å; M2677-L2888 HydrophobicContact SD-CG 4.23Å |
| 2678 | N | 68.8 | Low | 64.5 | Low | 3 Ų | 3 | 61 Ų | 61 | 2% | 0.016 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -62.8 | -39.1 | 178.8 | -75.6 | -41.5 | 0 | 0 | 0 | 111.5 | F2624 I2674 H2675 K2680 Q2681 W2682 F2696 P2698 F2700 | F2624-N2678 HydrophobicContact CE2-CB 4.31Å; F2624-N2678 HydrophobicContact CZ-CB 4.01Å; I2674-N2678 PolarHBondContact O-N 3.03Å; I2674-N2678 VanDerWaalsContact O-N 3.14Å; I2674-N2678 PolarHBondContact O-ND2 2.82Å; H2675-N2678 PolarHBondContact O-N 3.33Å; N2678-K2680 VanDerWaalsContact C-N 3.31Å; N2678-K2680 PolarHBondContact O-N 3.41Å; N2678-Q2681 PolarHBondContact O-N 3.03Å; N2678-W2682 VanDerWaalsContact O-CB 3.26Å; N2678-W2682 WeakPolarHBondContact O-CB 3.44Å; N2678-W2682 PolarHBondContact O-N 3.17Å; N2678-F2696 HydrophobicContact CB-CZ 4.47Å; N2678-F2696 WeakPolarHBondContact O-CZ 3.42Å; N2678-P2698 HydrophobicContact CB-CB 4.48Å; N2678-P2698 VanDerWaalsContact OD1-CB 3.26Å; N2678-P2698 WeakPolarHBondContact OD1-CB 3.47Å; N2678-F2700 PolarHBondContact ND2-O 3.08Å; N2678-F2700 PolarHBondContact OD1-O 3.09Å |
| 2679 | W | 64.9 | Low | 63.2 | Low | 101.333 Ų | 101.333 | 66.5 Ų | 66.5 | 38% | 0.384 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -62.9 | -44.1 | 175.4 | -177.5 | -109.4 | 0 | 0 | 0 | 112.6 | V2459 F2624 H2675 E2676 M2677 W2682 N2683 | V2459-W2679 HydrophobicContact CG1-CE3 3.99Å; V2459-W2679 HydrophobicContact CG1-CH2 3.79Å; V2459-W2679 HydrophobicContact CG1-CZ2 4.36Å; V2459-W2679 HydrophobicContact CG1-CZ3 3.42Å; V2459-W2679 HydrophobicContact CG2-CE3 4.45Å; F2624-W2679 AromaticContact CE1-CE3 3.84Å; F2624-W2679 HydrophobicContact CE1-CE3 3.84Å; F2624-W2679 HydrophobicContact CE1-CZ3 4.44Å; H2675-W2679 WeakPolarHBondContact O-CB 3.24Å; H2675-W2679 PolarHBondContact O-N 3.1Å; E2676-W2679 PolarHBondContact O-N 3.01Å; M2677-W2679 VanDerWaalsContact C-N 3.26Å; M2677-W2679 PolarHBondContact O-N 2.92Å; W2679-W2682 WeakPolarHBondContact O-CB 3.3Å; W2679-W2682 PolarHBondContact O-N 3.17Å; W2679-N2683 PolarHBondContact NE1-ND2 3.21Å; W2679-N2683 VanDerWaalsContact NE1-ND2 3.14Å; W2679-N2683 PolarHBondContact O-N 3.2Å; W2679-N2683 PolarHBondContact O-ND2 3.03Å |
| 2680 | K | 64.1 | Low | 62.1 | Low | 108 Ų | 108 | 71 Ų | 71 | 47% | 0.47 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -65.9 | -42.1 | 176.1 | -74.9 | 178.3 | -176.7 | 178.3 | 0 | 112.3 | E2676 M2677 N2678 W2682 N2683 A2684 | E2676-K2680 WeakPolarHBondContact O-CB 3.18Å; E2676-K2680 VanDerWaalsContact O-CG 3.28Å; E2676-K2680 WeakPolarHBondContact O-CG 3.37Å; E2676-K2680 PolarHBondContact O-N 3.37Å; M2677-K2680 PolarHBondContact O-N 3.08Å; N2678-K2680 VanDerWaalsContact C-N 3.31Å; N2678-K2680 PolarHBondContact O-N 3.41Å; K2680-W2682 VanDerWaalsContact C-N 3.32Å; K2680-W2682 PolarHBondContact O-N 2.93Å; K2680-N2683 PolarHBondContact O-N 2.95Å; K2680-A2684 VanDerWaalsContact O-CB 3.29Å; K2680-A2684 WeakPolarHBondContact O-CB 3.35Å; K2680-A2684 PolarHBondContact O-N 3.05Å |
| 2681 | Q | 62.8 | Low | 60.7 | Low | 79.6667 Ų | 79.6667 | 74.3 Ų | 74.3 | 37% | 0.372 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -62.7 | -41.2 | 175.3 | -104.8 | -178.2 | -8.7 | 0 | 0 | 111.1 | M2677 N2678 A2684 H2685 F2696 | M2677-Q2681 VanDerWaalsContact CE-NE2 3.32Å; M2677-Q2681 WeakPolarHBondContact O-CB 3.28Å; M2677-Q2681 PolarHBondContact O-N 3.36Å; N2678-Q2681 PolarHBondContact O-N 3.03Å; Q2681-A2684 PolarHBondContact O-N 3.35Å; Q2681-H2685 WeakPolarHBondContact O-CB 3.29Å; Q2681-H2685 PolarHBondContact O-N 3.33Å; Q2681-F2696 HydrophobicContact CB-CE2 4.1Å; Q2681-F2696 HydrophobicContact CB-CZ 4.22Å; Q2681-F2696 HydrophobicContact CG-CE2 4.26Å |
| 2682 | W | 60.3 | Low | 59.1 | Low | 81 Ų | 81 | 80.8 Ų | 80.8 | 31% | 0.307 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -59.4 | -50.2 | 174.7 | 176 | -91.1 | 0 | 0 | 0 | 111.9 | N2678 W2679 K2680 H2685 K2686 F2696 M2699 | N2678-W2682 VanDerWaalsContact O-CB 3.26Å; N2678-W2682 WeakPolarHBondContact O-CB 3.44Å; N2678-W2682 PolarHBondContact O-N 3.17Å; W2679-W2682 WeakPolarHBondContact O-CB 3.3Å; W2679-W2682 PolarHBondContact O-N 3.17Å; K2680-W2682 VanDerWaalsContact C-N 3.32Å; K2680-W2682 PolarHBondContact O-N 2.93Å; W2682-H2685 WeakPolarHBondContact O-CB 3.35Å; W2682-H2685 PolarHBondContact O-N 3.02Å; W2682-H2685 VanDerWaalsContact O-N 3.17Å; W2682-K2686 PolarHBondContact O-N 3.26Å; W2682-F2696 VanDerWaalsContact CA-CE2 3.43Å; W2682-F2696 HydrophobicContact CB-CD2 4.22Å; W2682-F2696 HydrophobicContact CB-CE1 4.35Å; W2682-F2696 HydrophobicContact CB-CE2 3.8Å; W2682-F2696 HydrophobicContact CB-CZ 3.87Å; W2682-F2696 HydrophobicContact CD2-CD1 4.23Å; W2682-F2696 HydrophobicContact CD2-CD2 4.49Å; W2682-F2696 HydrophobicContact CD2-CE1 4.46Å; W2682-F2696 HydrophobicContact CD2-CG 4.32Å; W2682-F2696 HydrophobicContact CE3-CB 3.62Å; W2682-F2696 AromaticContact CE3-CD1 3.46Å; W2682-F2696 HydrophobicContact CE3-CD1 3.46Å; W2682-F2696 AromaticContact CE3-CD2 3.68Å; W2682-F2696 HydrophobicContact CE3-CD2 3.86Å; W2682-F2696 AromaticContact CE3-CE1 3.46Å; W2682-F2696 HydrophobicContact CE3-CE1 3.46Å; W2682-F2696 VanDerWaalsContact CE3-CE1 3.46Å; W2682-F2696 HydrophobicContact CE3-CE2 4.38Å; W2682-F2696 AromaticContact CE3-CG 3.38Å; W2682-F2696 HydrophobicContact CE3-CG 3.38Å; W2682-F2696 VanDerWaalsContact CE3-CG 3.41Å; W2682-F2696 HydrophobicContact CE3-CZ 4.07Å; W2682-F2696 HydrophobicContact CH2-CB 4.48Å; W2682-F2696 HydrophobicContact CZ3-CB 3.55Å; W2682-F2696 AromaticContact CZ3-CD1 3.38Å; W2682-F2696 HydrophobicContact CZ3-CD1 3.9Å; W2682-F2696 HydrophobicContact CZ3-CE1 4.11Å; W2682-F2696 AromaticContact CZ3-CG 3.82Å; W2682-F2696 HydrophobicContact CZ3-CG 3.82Å; W2682-F2696 VanDerWaalsContact N-CE2 3.29Å; W2682-M2699 HydrophobicContact CE3-CE 3.86Å; W2682-M2699 HydrophobicContact CZ3-CE 4.18Å |
| 2683 | N | 59.5 | Low | 57.7 | Low | 54 Ų | 54 | 85 Ų | 85 | 29% | 0.289 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -66.3 | -41.6 | 180 | -70.9 | -25.4 | 0 | 0 | 0 | 112.4 | W2679 K2680 H2685 K2686 D2687 | W2679-N2683 PolarHBondContact NE1-ND2 3.21Å; W2679-N2683 VanDerWaalsContact NE1-ND2 3.14Å; W2679-N2683 PolarHBondContact O-N 3.2Å; W2679-N2683 PolarHBondContact O-ND2 3.03Å; K2680-N2683 PolarHBondContact O-N 2.95Å; N2683-H2685 PolarHBondContact O-N 3.28Å; N2683-H2685 VanDerWaalsContact O-N 3.13Å; N2683-K2686 WeakPolarHBondContact O-CB 3.25Å; N2683-K2686 PolarHBondContact O-N 2.96Å; N2683-K2686 VanDerWaalsContact O-N 3.09Å; N2683-D2687 PolarHBondContact O-N 2.87Å; N2683-D2687 VanDerWaalsContact O-N 3.08Å |
| 2684 | A | 59 | Low | 56.1 | Low | 56.6667 Ų | 56.6667 | 89.2 Ų | 89.2 | 47% | 0.468 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -60.8 | -30.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | K2680 Q2681 N2688 | K2680-A2684 VanDerWaalsContact O-CB 3.29Å; K2680-A2684 WeakPolarHBondContact O-CB 3.35Å; K2680-A2684 PolarHBondContact O-N 3.05Å; Q2681-A2684 PolarHBondContact O-N 3.35Å; A2684-N2688 WeakPolarHBondContact O-CB 3.46Å; A2684-N2688 PolarHBondContact O-N 3.32Å |
| 2685 | H | 52.7 | Low | 54.5 | Low | 90.6667 Ų | 90.6667 | 93.8 Ų | 93.8 | 42% | 0.42 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -75.9 | -33.2 | 174.6 | -138.7 | -62.3 | 0 | 0 | 0 | 112.8 | Q2681 W2682 N2683 D2687 N2688 F2696 | Q2681-H2685 WeakPolarHBondContact O-CB 3.29Å; Q2681-H2685 PolarHBondContact O-N 3.33Å; W2682-H2685 WeakPolarHBondContact O-CB 3.35Å; W2682-H2685 PolarHBondContact O-N 3.02Å; W2682-H2685 VanDerWaalsContact O-N 3.17Å; N2683-H2685 PolarHBondContact O-N 3.28Å; N2683-H2685 VanDerWaalsContact O-N 3.13Å; H2685-D2687 PolarHBondContact O-N 2.91Å; H2685-N2688 CarbonylContact O-C 3.57Å; H2685-N2688 PolarHBondContact O-N 3.22Å; H2685-F2696 AromaticContact NE2-CE2 3.99Å |
| 2686 | K | 51.2 | Low | 53.2 | Low | 131.333 Ų | 131.333 | 96.1 Ų | 96.1 | 57% | 0.571 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -66.4 | -35.5 | 177.5 | -141.4 | -179.7 | -179.3 | -179 | 0 | 112.1 | W2682 N2683 N2688 | W2682-K2686 PolarHBondContact O-N 3.26Å; N2683-K2686 WeakPolarHBondContact O-CB 3.25Å; N2683-K2686 PolarHBondContact O-N 2.96Å; N2683-K2686 VanDerWaalsContact O-N 3.09Å; K2686-N2688 VanDerWaalsContact C-N 3.31Å; K2686-N2688 PolarHBondContact O-N 3.41Å |
| 2687 | D | 53.1 | Low | 52.3 | Low | 142 Ų | 142 | 97.3 Ų | 97.3 | 76% | 0.759 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -78.5 | -22.5 | 178.4 | -68 | -23.2 | 0 | 0 | 0 | 113.1 | N2683 H2685 M2689 | N2683-D2687 PolarHBondContact O-N 2.87Å; N2683-D2687 VanDerWaalsContact O-N 3.08Å; H2685-D2687 PolarHBondContact O-N 2.91Å; D2687-M2689 PolarHBondContact O-N 3.43Å |
| 2688 | N | 47 | Very low | 51.7 | Low | 122.333 Ų | 122.333 | 96.1 Ų | 96.1 | 65% | 0.654 | 52% | 0.515 | S | S | * | . | S | Bend | trans | -102.8 | 51.2 | -178.7 | -94.6 | -20.1 | 0 | 0 | 0 | 112.8 | A2684 H2685 K2686 D2690 | A2684-N2688 WeakPolarHBondContact O-CB 3.46Å; A2684-N2688 PolarHBondContact O-N 3.32Å; H2685-N2688 CarbonylContact O-C 3.57Å; H2685-N2688 PolarHBondContact O-N 3.22Å; K2686-N2688 VanDerWaalsContact C-N 3.31Å; K2686-N2688 PolarHBondContact O-N 3.41Å; N2688-D2690 PolarHBondContact O-N 3.34Å |
| 2689 | M | 42.7 | Very low | 51.4 | Low | 147.333 Ų | 147.333 | 98.4 Ų | 98.4 | 73% | 0.726 | 53% | 0.527 | S | S | * | . | trans | -142.6 | 100.7 | 165.8 | -79.9 | -70.3 | 168.7 | 0 | 0 | 113.8 | D2687 G2691 | D2687-M2689 PolarHBondContact O-N 3.43Å; M2689-G2691 PolarHBondContact O-N 2.92Å; M2689-G2691 VanDerWaalsContact O-N 3.15Å | ||
| 2690 | D | 45.4 | Very low | 51.7 | Low | 154.667 Ų | 154.667 | 94 Ų | 94 | 83% | 0.827 | 51% | 0.51 | S | S | * | . | S | Bend | trans | -68.4 | 93.1 | 171.4 | -74.1 | -37 | 0 | 0 | 0 | 111.5 | N2688 N2692 | N2688-D2690 PolarHBondContact O-N 3.34Å; D2690-N2692 VanDerWaalsContact C-N 3.27Å; D2690-N2692 PolarHBondContact O-N 3.15Å |
| 2691 | G | 44.3 | Very low | 52.2 | Low | 77 Ų | 77 | 89.9 Ų | 89.9 | 79% | 0.794 | 49% | 0.492 | S | S | * | . | S | Bend | trans | 55.1 | -3.4 | 145.6 | 0 | 0 | 0 | 0 | 0 | 121.3 | M2689 | M2689-G2691 PolarHBondContact O-N 2.92Å; M2689-G2691 VanDerWaalsContact O-N 3.15Å |
| 2692 | N | 40.9 | Very low | 52.9 | Low | 140 Ų | 140 | 86.1 Ų | 86.1 | 75% | 0.749 | 47% | 0.474 | S | S | * | . | trans | -104.7 | 117.5 | -177.2 | -91.8 | -14.9 | 0 | 0 | 0 | 110.5 | D2690 V2694 | D2690-N2692 VanDerWaalsContact C-N 3.27Å; D2690-N2692 PolarHBondContact O-N 3.15Å; N2692-V2694 VanDerWaalsContact C-N 3.29Å; N2692-V2694 PolarHBondContact O-N 3.19Å | ||
| 2693 | N | 41.4 | Very low | 53.9 | Low | 167.333 Ų | 167.333 | 82.3 Ų | 82.3 | 90% | 0.895 | 46% | 0.46 | S | S | * | . | trans | -34.3 | 63 | 168.6 | -74.5 | -18.3 | 0 | 0 | 0 | 114.6 | S2695 | N2693-S2695 PolarHBondContact O-N 3.1Å; N2693-S2695 VanDerWaalsContact O-N 3.1Å | ||
| 2694 | V | 37.5 | Very low | 54.6 | Low | 99.6667 Ų | 99.6667 | 79.8 Ų | 79.8 | 60% | 0.604 | 45% | 0.446 | S | S | * | . | trans | -74.9 | 110.5 | 165.9 | -177.4 | 0 | 0 | 0 | 0 | 106.2 | N2692 F2696 | N2692-V2694 VanDerWaalsContact C-N 3.29Å; N2692-V2694 PolarHBondContact O-N 3.19Å; V2694-F2696 PolarHBondContact O-N 3.31Å; V2694-F2696 VanDerWaalsContact O-N 3.09Å | ||
| 2695 | S | 41 | Very low | 55.4 | Low | 100 Ų | 100 | 77.2 Ų | 77.2 | 70% | 0.699 | 43% | 0.425 | S | S | * | . | trans | -53.6 | 112.5 | 174.7 | 57 | 0 | 0 | 0 | 0 | 109.2 | N2693 N2697 | N2693-S2695 PolarHBondContact O-N 3.1Å; N2693-S2695 VanDerWaalsContact O-N 3.1Å; S2695-N2697 PolarHBondContact O-N 3.02Å; S2695-N2697 VanDerWaalsContact O-N 3.1Å | ||
| 2696 | F | 43.6 | Very low | 56.4 | Low | 66.6667 Ų | 66.6667 | 73.2 Ų | 73.2 | 29% | 0.292 | 41% | 0.407 | S | S | . | . | trans | -58.8 | 115.4 | 171.5 | -160.8 | -101.5 | 0 | 0 | 0 | 108.8 | F2624 N2678 Q2681 W2682 H2685 V2694 P2698 | F2624-F2696 HydrophobicContact CZ-CE1 4.22Å; N2678-F2696 HydrophobicContact CB-CZ 4.47Å; N2678-F2696 WeakPolarHBondContact O-CZ 3.42Å; Q2681-F2696 HydrophobicContact CB-CE2 4.1Å; Q2681-F2696 HydrophobicContact CB-CZ 4.22Å; Q2681-F2696 HydrophobicContact CG-CE2 4.26Å; W2682-F2696 VanDerWaalsContact CA-CE2 3.43Å; W2682-F2696 HydrophobicContact CB-CD2 4.22Å; W2682-F2696 HydrophobicContact CB-CE1 4.35Å; W2682-F2696 HydrophobicContact CB-CE2 3.8Å; W2682-F2696 HydrophobicContact CB-CZ 3.87Å; W2682-F2696 HydrophobicContact CD2-CD1 4.23Å; W2682-F2696 HydrophobicContact CD2-CD2 4.49Å; W2682-F2696 HydrophobicContact CD2-CE1 4.46Å; W2682-F2696 HydrophobicContact CD2-CG 4.32Å; W2682-F2696 HydrophobicContact CE3-CB 3.62Å; W2682-F2696 AromaticContact CE3-CD1 3.46Å; W2682-F2696 HydrophobicContact CE3-CD1 3.46Å; W2682-F2696 AromaticContact CE3-CD2 3.68Å; W2682-F2696 HydrophobicContact CE3-CD2 3.86Å; W2682-F2696 AromaticContact CE3-CE1 3.46Å; W2682-F2696 HydrophobicContact CE3-CE1 3.46Å; W2682-F2696 VanDerWaalsContact CE3-CE1 3.46Å; W2682-F2696 HydrophobicContact CE3-CE2 4.38Å; W2682-F2696 AromaticContact CE3-CG 3.38Å; W2682-F2696 HydrophobicContact CE3-CG 3.38Å; W2682-F2696 VanDerWaalsContact CE3-CG 3.41Å; W2682-F2696 HydrophobicContact CE3-CZ 4.07Å; W2682-F2696 HydrophobicContact CH2-CB 4.48Å; W2682-F2696 HydrophobicContact CZ3-CB 3.55Å; W2682-F2696 AromaticContact CZ3-CD1 3.38Å; W2682-F2696 HydrophobicContact CZ3-CD1 3.9Å; W2682-F2696 HydrophobicContact CZ3-CE1 4.11Å; W2682-F2696 AromaticContact CZ3-CG 3.82Å; W2682-F2696 HydrophobicContact CZ3-CG 3.82Å; W2682-F2696 VanDerWaalsContact N-CE2 3.29Å; H2685-F2696 AromaticContact NE2-CE2 3.99Å; V2694-F2696 PolarHBondContact O-N 3.31Å; V2694-F2696 VanDerWaalsContact O-N 3.09Å; F2696-P2698 HydrophobicContact CD1-CB 4.37Å; F2696-P2698 VanDerWaalsContact CD1-CD 3.49Å; F2696-P2698 HydrophobicContact CD1-CG 4.14Å; F2696-P2698 HydrophobicContact CE1-CB 3.63Å; F2696-P2698 VanDerWaalsContact CE1-CD 3.48Å; F2696-P2698 HydrophobicContact CE1-CG 3.64Å; F2696-P2698 VanDerWaalsContact CE1-CG 3.49Å; F2696-P2698 HydrophobicContact CZ-CB 3.82Å; F2696-P2698 HydrophobicContact CZ-CG 4.34Å; F2696-P2698 WeakPolarHBondContact O-CD 3.1Å | ||
| 2697 | N | 49.9 | Very low | 57.4 | Low | 82.3333 Ų | 82.3333 | 67.3 Ų | 67.3 | 44% | 0.44 | 38% | 0.381 | S | S | . | . | trans | -102.7 | 105.1 | 177.1 | -148.1 | 4.2 | 0 | 0 | 0 | 108.1 | N2658 K2659 S2695 M2699 | N2658-N2697 HydrophobicContact CB-CB 4.38Å; N2658-N2697 WeakPolarHBondContact CB-ND2 3.19Å; N2658-N2697 WeakPolarHBondContact ND2-CB 3.44Å; N2658-N2697 PolarHBondContact ND2-ND2 2.94Å; K2659-N2697 WeakPolarHBondContact CE-OD1 3.36Å; S2695-N2697 PolarHBondContact O-N 3.02Å; S2695-N2697 VanDerWaalsContact O-N 3.1Å; N2697-M2699 PolarHBondContact O-N 3.15Å; N2697-M2699 VanDerWaalsContact O-N 3.12Å | ||
| 2698 | P | 55.8 | Low | 58.2 | Low | 12.3333 Ų | 12.3333 | 62.9 Ų | 62.9 | 8% | 0.08 | 36% | 0.358 | C | S | . | . | trans | -62.6 | 134.3 | -176.2 | 25.7 | -30.5 | 0 | 0 | 0 | 109.8 | F2624 L2660 Y2661 N2678 F2696 F2700 R2701 | F2624-P2698 HydrophobicContact CE2-CG 3.78Å; F2624-P2698 HydrophobicContact CZ-CG 3.93Å; L2660-P2698 WeakPolarHBondContact CD1-O 3.43Å; Y2661-P2698 HydrophobicContact CD2-CB 3.45Å; Y2661-P2698 VanDerWaalsContact CD2-CB 3.45Å; Y2661-P2698 HydrophobicContact CE2-CB 3.18Å; Y2661-P2698 HydrophobicContact CE2-CG 4.18Å; N2678-P2698 HydrophobicContact CB-CB 4.48Å; N2678-P2698 VanDerWaalsContact OD1-CB 3.26Å; N2678-P2698 WeakPolarHBondContact OD1-CB 3.47Å; F2696-P2698 HydrophobicContact CD1-CB 4.37Å; F2696-P2698 VanDerWaalsContact CD1-CD 3.49Å; F2696-P2698 HydrophobicContact CD1-CG 4.14Å; F2696-P2698 HydrophobicContact CE1-CB 3.63Å; F2696-P2698 VanDerWaalsContact CE1-CD 3.48Å; F2696-P2698 HydrophobicContact CE1-CG 3.64Å; F2696-P2698 VanDerWaalsContact CE1-CG 3.49Å; F2696-P2698 HydrophobicContact CZ-CB 3.82Å; F2696-P2698 HydrophobicContact CZ-CG 4.34Å; F2696-P2698 WeakPolarHBondContact O-CD 3.1Å; P2698-F2700 VanDerWaalsContact C-N 3.28Å; P2698-F2700 HydrophobicContact CB-CZ 4.39Å; P2698-F2700 HydrophobicContact CG-CE1 4.34Å; P2698-F2700 HydrophobicContact CG-CE2 4.14Å; P2698-F2700 HydrophobicContact CG-CZ 3.75Å; P2698-F2700 WeakPolarHBondContact O-CD2 3.36Å; P2698-F2700 PolarHBondContact O-N 3.14Å; P2698-R2701 HydrophobicContact CG-CG 4.01Å; P2698-R2701 VanDerWaalsContact CG-NE 3.33Å | ||
| 2699 | M | 62.5 | Low | 59.4 | Low | 52.6667 Ų | 52.6667 | 58.4 Ų | 58.4 | 26% | 0.259 | 34% | 0.336 | S | S | . | . | S | Bend | trans | -70.7 | -0.8 | -179.3 | -167.1 | 175.5 | 178.2 | 0 | 0 | 110.5 | L2660 Y2661 W2682 N2697 R2701 I2886 | L2660-M2699 HydrophobicContact CD1-CB 4.29Å; L2660-M2699 WeakPolarHBondContact CD1-O 3.27Å; L2660-M2699 PolarHBondContact N-O 3.38Å; Y2661-M2699 HydrophobicContact CD2-CG 4.35Å; Y2661-M2699 HydrophobicContact CE2-CE 4.11Å; Y2661-M2699 PolarHBondContact N-O 3.25Å; W2682-M2699 HydrophobicContact CE3-CE 3.86Å; W2682-M2699 HydrophobicContact CZ3-CE 4.18Å; N2697-M2699 PolarHBondContact O-N 3.15Å; N2697-M2699 VanDerWaalsContact O-N 3.12Å; M2699-R2701 VanDerWaalsContact CE-NH2 3.35Å; M2699-R2701 PolarHBondContact SD-NH2 3.29Å; M2699-I2886 HydrophobicContact CE-CD1 3.89Å; M2699-I2886 HydrophobicContact SD-CD1 3.39Å; M2699-I2886 WeakPolarHBondContact SD-CD1 3.32Å |
| 2700 | F | 69.9 | Low | 60.9 | Low | 8.33333 Ų | 8.33333 | 51.4 Ų | 51.4 | 4% | 0.037 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 136.1 | 177.3 | -56.5 | -74 | 0 | 0 | 0 | 109.8 | L2660 Y2661 L2662 F2663 I2674 M2677 N2678 P2698 F2871 F2881 I2886 | L2660-F2700 HydrophobicContact CB-CD1 3.7Å; L2660-F2700 HydrophobicContact CB-CE1 4.04Å; L2660-F2700 HydrophobicContact CD2-CD1 4.43Å; L2660-F2700 HydrophobicContact CD2-CE1 4.16Å; L2660-F2700 CarbonylContact O-C 3.58Å; L2660-F2700 WeakPolarHBondContact O-CA 3.46Å; Y2661-F2700 HydrophobicContact CD2-CD1 4.37Å; Y2661-F2700 AromaticContact CD2-CE1 3.92Å; Y2661-F2700 HydrophobicContact CD2-CE1 4.16Å; Y2661-F2700 HydrophobicContact CG-CD1 4.24Å; Y2661-F2700 HydrophobicContact CG-CE1 4.22Å; Y2661-F2700 CarbonylContact O-C 3.52Å; Y2661-F2700 WeakPolarHBondContact O-CA 3.33Å; L2662-F2700 HydrophobicContact CD1-CD1 3.7Å; L2662-F2700 HydrophobicContact CD1-CE1 4.32Å; F2663-F2700 HydrophobicContact CE2-CB 4.36Å; F2663-F2700 AromaticContact CE2-CD1 3.81Å; F2663-F2700 HydrophobicContact CE2-CD1 3.81Å; F2663-F2700 HydrophobicContact CE2-CG 4.45Å; F2663-F2700 HydrophobicContact CZ-CD1 4.38Å; I2674-F2700 HydrophobicContact CG2-CB 3.94Å; I2674-F2700 HydrophobicContact CG2-CG 4.23Å; M2677-F2700 HydrophobicContact CE-CD2 4.13Å; M2677-F2700 HydrophobicContact CE-CE2 3.84Å; M2677-F2700 HydrophobicContact SD-CD2 3.77Å; M2677-F2700 HydrophobicContact SD-CE2 3.8Å; N2678-F2700 PolarHBondContact ND2-O 3.08Å; N2678-F2700 PolarHBondContact OD1-O 3.09Å; P2698-F2700 VanDerWaalsContact C-N 3.28Å; P2698-F2700 HydrophobicContact CB-CZ 4.39Å; P2698-F2700 HydrophobicContact CG-CE1 4.34Å; P2698-F2700 HydrophobicContact CG-CE2 4.14Å; P2698-F2700 HydrophobicContact CG-CZ 3.75Å; P2698-F2700 WeakPolarHBondContact O-CD2 3.36Å; P2698-F2700 PolarHBondContact O-N 3.14Å; F2700-F2871 HydrophobicContact CE1-CE2 4.48Å; F2700-F2871 HydrophobicContact CE1-CZ 4.42Å; F2700-F2881 HydrophobicContact CE1-CD1 4.31Å; F2700-F2881 AromaticContact CE1-CE1 3.46Å; F2700-F2881 HydrophobicContact CE1-CE1 3.46Å; F2700-F2881 VanDerWaalsContact CE1-CE1 3.46Å; F2700-F2881 HydrophobicContact CE1-CZ 4.2Å; F2700-F2881 AromaticContact CZ-CD1 3.91Å; F2700-F2881 HydrophobicContact CZ-CD1 3.91Å; F2700-F2881 AromaticContact CZ-CE1 3.42Å; F2700-F2881 HydrophobicContact CZ-CE1 3.74Å; F2700-F2881 VanDerWaalsContact CZ-CE1 3.42Å; F2700-F2881 HydrophobicContact CZ-CZ 4.33Å; F2700-I2886 HydrophobicContact CD2-CD1 4.32Å; F2700-I2886 HydrophobicContact CE2-CD1 4.3Å |
| 2701 | R | 75.7 | Confident | 62.3 | Low | 22 Ų | 22 | 48.7 Ų | 48.7 | 8% | 0.083 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 144.8 | 172.8 | -92.4 | -175 | -146.1 | -158.9 | 5.2 | 109.2 | D2622 F2624 H2628 L2660 Y2661 L2662 F2663 P2698 M2699 | D2622-R2701 HydrophobicContact CB-CG 4.26Å; D2622-R2701 WeakPolarHBondContact OD2-CD 3.43Å; D2622-R2701 IonicContact OD2-CZ 3.73Å; D2622-R2701 IonicContact OD2-NE 3.85Å; D2622-R2701 IonicContact OD2-NH1 3.39Å; D2622-R2701 PolarHBondContact OD2-NH1 3.14Å; F2624-R2701 HydrophobicContact CD2-CG 4.25Å; F2624-R2701 HydrophobicContact CE2-CG 4.17Å; H2628-R2701 PolarHBondContact CE1-NH1 3.22Å; H2628-R2701 PolarHBondContact NE2-NH1 2.95Å; L2660-R2701 HydrophobicContact CD1-CB 4.34Å; L2660-R2701 HydrophobicContact CD1-CG 3.77Å; L2660-R2701 PolarHBondContact O-N 3.11Å; Y2661-R2701 WeakPolarHBondContact CA-O 3.45Å; Y2661-R2701 HydrophobicContact CD1-CB 3.85Å; Y2661-R2701 HydrophobicContact CE1-CB 4.1Å; Y2661-R2701 HydrophobicContact CE1-CG 4.41Å; Y2661-R2701 HydrophobicContact CG-CB 4.47Å; Y2661-R2701 PolarHBondContact O-N 3.06Å; L2662-R2701 CarbonylContact C-O 3.48Å; L2662-R2701 WeakPolarHBondContact CA-O 3.11Å; L2662-R2701 HydrophobicContact CD1-CB 3.57Å; L2662-R2701 PolarHBondContact N-O 2.71Å; F2663-R2701 PolarHBondContact N-O 3.4Å; P2698-R2701 HydrophobicContact CG-CG 4.01Å; P2698-R2701 VanDerWaalsContact CG-NE 3.33Å; M2699-R2701 VanDerWaalsContact CE-NH2 3.35Å; M2699-R2701 PolarHBondContact SD-NH2 3.29Å |
| 2702 | I | 78.4 | Confident | 63.8 | Low | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 146.5 | 174.1 | 26.5 | 159.4 | 0 | 0 | 0 | 108.5 | I2457 D2622 S2623 F2663 A2671 I2674 H2675 I2767 | I2457-I2702 HydrophobicContact CB-CD1 3.94Å; I2457-I2702 HydrophobicContact CD1-CD1 3.5Å; I2457-I2702 VanDerWaalsContact CD1-CD1 3.49Å; I2457-I2702 HydrophobicContact CG1-CD1 4.31Å; I2457-I2702 HydrophobicContact CG2-CD1 3.95Å; D2622-I2702 CarbonylContact C-O 3.55Å; D2622-I2702 WeakPolarHBondContact CA-O 3.47Å; S2623-I2702 VanDerWaalsContact CB-O 3.23Å; S2623-I2702 WeakPolarHBondContact CB-O 3.42Å; S2623-I2702 PolarHBondContact N-O 2.98Å; S2623-I2702 WeakPolarHBondContact OG-CG1 3.41Å; S2623-I2702 PolarHBondContact OG-O 3.03Å; S2623-I2702 VanDerWaalsContact OG-O 3.06Å; F2663-I2702 WeakPolarHBondContact O-CA 3.29Å; A2671-I2702 HydrophobicContact CB-CD1 3.8Å; A2671-I2702 HydrophobicContact CB-CG2 4.47Å; A2671-I2702 VanDerWaalsContact O-CD1 3.26Å; A2671-I2702 WeakPolarHBondContact O-CD1 3.4Å; I2674-I2702 HydrophobicContact CB-CD1 3.67Å; I2674-I2702 HydrophobicContact CB-CG1 4.07Å; I2674-I2702 HydrophobicContact CB-CG2 4.04Å; I2674-I2702 HydrophobicContact CD1-CG2 4.22Å; I2674-I2702 HydrophobicContact CG2-CD1 3.59Å; I2674-I2702 HydrophobicContact CG2-CG1 3.6Å; I2674-I2702 HydrophobicContact CG2-CG2 3.86Å; H2675-I2702 HydrophobicContact CB-CD1 3.95Å; H2675-I2702 HydrophobicContact CB-CG1 4.25Å; H2675-I2702 WeakPolarHBondContact CD2-CD1 3.47Å; H2675-I2702 VanDerWaalsContact CG-CD1 3.4Å; H2675-I2702 WeakPolarHBondContact NE2-CD1 3.31Å; I2702-I2767 HydrophobicContact CG2-CD1 3.64Å |
| 2703 | M | 80.3 | Confident | 65.6 | Low | 1.66667 Ų | 1.66667 | 46.3 Ų | 46.3 | 1% | 0.008 | 25% | 0.245 | C | C | . | . | B | Isolated β-bridge | trans | -64.8 | 143 | 169.9 | -70.7 | -135 | -86.5 | 0 | 0 | 110.6 | I2620 L2621 D2622 I2633 Y2661 L2662 F2663 A2664 W2665 H2705 L2707 L2710 L2758 L2764 | I2620-M2703 HydrophobicContact CB-CE 4.21Å; I2620-M2703 HydrophobicContact CG2-CE 3.2Å; I2620-M2703 HydrophobicContact CG2-CG 4.26Å; I2620-M2703 HydrophobicContact CG2-SD 4.1Å; L2621-M2703 WeakPolarHBondContact O-CA 3.4Å; D2622-M2703 HydrophobicContact CB-SD 4.09Å; I2633-M2703 HydrophobicContact CD1-CE 3.29Å; I2633-M2703 HydrophobicContact CG1-CE 3.87Å; Y2661-M2703 HydrophobicContact CD1-CE 3.73Å; Y2661-M2703 HydrophobicContact CD1-SD 4.26Å; Y2661-M2703 HydrophobicContact CG-CE 4.24Å; L2662-M2703 HydrophobicContact CD2-CG 4.27Å; L2662-M2703 HydrophobicContact CG-CG 4.43Å; L2662-M2703 PolarHBondContact O-N 3.2Å; L2662-M2703 VanDerWaalsContact O-N 3.08Å; F2663-M2703 HydrophobicContact CD1-CB 3.55Å; F2663-M2703 HydrophobicContact CD1-CG 4.01Å; F2663-M2703 HydrophobicContact CD2-CB 4.32Å; F2663-M2703 HydrophobicContact CD2-CG 3.86Å; F2663-M2703 HydrophobicContact CE1-CB 3.4Å; F2663-M2703 HydrophobicContact CE1-CG 3.71Å; F2663-M2703 HydrophobicContact CE2-CB 4.18Å; F2663-M2703 HydrophobicContact CE2-CE 4.1Å; F2663-M2703 HydrophobicContact CE2-CG 3.54Å; F2663-M2703 HydrophobicContact CG-CB 4.03Å; F2663-M2703 HydrophobicContact CG-CG 4.09Å; F2663-M2703 HydrophobicContact CZ-CB 3.76Å; F2663-M2703 HydrophobicContact CZ-CE 4.14Å; F2663-M2703 HydrophobicContact CZ-CG 3.49Å; F2663-M2703 VanDerWaalsContact CZ-CG 3.49Å; F2663-M2703 HydrophobicContact CZ-SD 4.46Å; F2663-M2703 PolarHBondContact O-N 3.46Å; A2664-M2703 VanDerWaalsContact CA-CE 3.47Å; A2664-M2703 HydrophobicContact CB-CE 3.27Å; A2664-M2703 HydrophobicContact CB-SD 3.95Å; W2665-M2703 PolarHBondContact NE1-O 2.81Å; M2703-H2705 PolarHBondContact O-N 2.96Å; M2703-H2705 VanDerWaalsContact O-N 3.13Å; M2703-L2707 HydrophobicContact CE-CD2 4.03Å; M2703-L2710 HydrophobicContact CE-CD1 3.47Å; M2703-L2710 VanDerWaalsContact CE-CD1 3.47Å; M2703-L2758 HydrophobicContact CE-CD1 3.81Å; M2703-L2758 HydrophobicContact SD-CD1 4Å; M2703-L2764 HydrophobicContact CE-CD1 4.4Å; M2703-L2764 HydrophobicContact SD-CD1 4.08Å |
| 2704 | A | 74.3 | Confident | 67.2 | Low | 1 Ų | 1 | 40.5 Ų | 40.5 | 1% | 0.008 | 21% | 0.211 | C | C | . | . | S | Bend | trans | -60.9 | -14.5 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | C2456 I2457 L2458 L2621 D2622 | C2456-A2704 CarbonylContact C-O 3.3Å; C2456-A2704 VanDerWaalsContact CA-O 3.31Å; C2456-A2704 WeakPolarHBondContact CA-O 3.21Å; C2456-A2704 WeakPolarHBondContact CB-O 3.46Å; I2457-A2704 PolarHBondContact N-O 3.02Å; I2457-A2704 VanDerWaalsContact N-O 3.09Å; L2458-A2704 HydrophobicContact CD1-CB 4.12Å; L2458-A2704 HydrophobicContact CD2-CB 3.65Å; L2458-A2704 HydrophobicContact CG-CB 3.88Å; L2621-A2704 HydrophobicContact CD2-CB 4.02Å; L2621-A2704 HydrophobicContact CG-CB 4.01Å; L2621-A2704 PolarHBondContact O-N 3.23Å; L2621-A2704 VanDerWaalsContact O-N 3.1Å; D2622-A2704 WeakPolarHBondContact O-CB 3.34Å |
| 2705 | H | 75.5 | Confident | 68.5 | Low | 2.66667 Ų | 2.66667 | 39.6 Ų | 39.6 | 1% | 0.012 | 21% | 0.206 | C | C | . | . | B | Isolated β-bridge | trans | -129.2 | 140.1 | -169.4 | -51.1 | -47.2 | 0 | 0 | 0 | 111.1 | C2456 F2546 N2547 L2550 L2621 W2665 M2703 L2707 C2709 L2710 | C2456-H2705 PolarHBondContact SG-CD2 2.95Å; C2456-H2705 PolarHBondContact SG-ND1 2.8Å; C2456-H2705 PolarHBondContact SG-NE2 3.45Å; C2456-H2705 VanDerWaalsContact SG-NE2 3.37Å; F2546-H2705 AromaticContact CE1-CE1 3.92Å; F2546-H2705 AromaticContact CE1-NE2 3.58Å; N2547-H2705 VanDerWaalsContact CG-CD2 3.45Å; N2547-H2705 PolarHBondContact ND2-CD2 3.41Å; N2547-H2705 PolarHBondContact ND2-NE2 3.39Å; N2547-H2705 PolarHBondContact OD1-CD2 2.89Å; N2547-H2705 VanDerWaalsContact OD1-CD2 3.3Å; N2547-H2705 PolarHBondContact OD1-CE1 3.48Å; N2547-H2705 PolarHBondContact OD1-ND1 2.92Å; N2547-H2705 PolarHBondContact OD1-NE2 3.27Å; L2550-H2705 VanDerWaalsContact CD2-CD2 3.41Å; L2550-H2705 WeakPolarHBondContact CD2-CD2 3.45Å; L2550-H2705 WeakPolarHBondContact CD2-CE1 3.48Å; L2550-H2705 VanDerWaalsContact CD2-NE2 3.26Å; L2550-H2705 WeakPolarHBondContact CD2-NE2 3.42Å; L2621-H2705 WeakPolarHBondContact CB-NE2 3.31Å; L2621-H2705 WeakPolarHBondContact CD2-NE2 3.39Å; W2665-H2705 PolarHBondContact NE1-O 2.97Å; M2703-H2705 PolarHBondContact O-N 2.96Å; M2703-H2705 VanDerWaalsContact O-N 3.13Å; H2705-L2707 PolarHBondContact O-N 2.66Å; H2705-C2709 HydrophobicContact CB-CB 4.4Å; H2705-L2710 HydrophobicContact CB-CD1 3.87Å; H2705-L2710 VanDerWaalsContact CB-CD1 3.42Å; H2705-L2710 HydrophobicContact CB-CD2 4.36Å; H2705-L2710 HydrophobicContact CB-CG 4.02Å |
| 2706 | S | 73.4 | Confident | 69.4 | Low | 5.66667 Ų | 5.66667 | 35.4 Ų | 35.4 | 4% | 0.04 | 18% | 0.179 | C | C | . | . | trans | -68 | 141.9 | 165 | 98.1 | 0 | 0 | 0 | 0 | 109.3 | D2454 Q2455 C2456 W2665 N2708 C2709 L2710 | D2454-S2706 WeakPolarHBondContact O-CB 3.3Å; D2454-S2706 PolarHBondContact OD2-OG 3.46Å; Q2455-S2706 PolarHBondContact O-N 2.96Å; Q2455-S2706 PolarHBondContact O-OG 3.08Å; C2456-S2706 PolarHBondContact SG-N 2.99Å; W2665-S2706 VanDerWaalsContact CZ3-CB 3.45Å; W2665-S2706 CarbonylContact O-C 3.52Å; W2665-S2706 WeakPolarHBondContact O-CA 3.43Å; S2706-N2708 PolarHBondContact O-N 3.17Å; S2706-N2708 VanDerWaalsContact O-N 3.15Å; S2706-N2708 WeakPolarHBondContact OG-CB 3.42Å; S2706-N2708 PolarHBondContact OG-N 2.97Å; S2706-C2709 WeakPolarHBondContact O-CB 3.32Å; S2706-C2709 PolarHBondContact O-N 3.18Å; S2706-C2709 VanDerWaalsContact O-N 3.08Å; S2706-C2709 WeakPolarHBondContact OG-CB 3.43Å; S2706-C2709 PolarHBondContact OG-N 3.2Å; S2706-C2709 VanDerWaalsContact OG-N 3.1Å; S2706-L2710 PolarHBondContact O-N 3.28Å; S2706-L2710 VanDerWaalsContact O-N 3.15Å | ||
| 2707 | L | 73.1 | Confident | 70 | Confident | 7.66667 Ų | 7.66667 | 35.4 Ų | 35.4 | 4% | 0.04 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58 | -25.6 | 171.5 | -77.5 | 163.8 | 0 | 0 | 0 | 112 | F2663 A2664 W2665 M2703 H2705 L2710 N2711 H2755 L2758 L2759 V2766 | F2663-L2707 HydrophobicContact CB-CD1 4.35Å; A2664-L2707 HydrophobicContact CB-CD1 3.96Å; A2664-L2707 HydrophobicContact CB-CD2 4.09Å; A2664-L2707 HydrophobicContact CB-CG 4.07Å; W2665-L2707 HydrophobicContact CB-CB 3.98Å; W2665-L2707 HydrophobicContact CB-CD1 3.75Å; W2665-L2707 HydrophobicContact CD2-CB 3.77Å; W2665-L2707 HydrophobicContact CD2-CD1 3.87Å; W2665-L2707 HydrophobicContact CD2-CG 4.35Å; W2665-L2707 HydrophobicContact CE3-CD1 4.03Å; W2665-L2707 HydrophobicContact CG-CB 3.39Å; W2665-L2707 HydrophobicContact CG-CD1 3.78Å; W2665-L2707 HydrophobicContact CG-CG 4.21Å; W2665-L2707 PolarHBondContact O-N 2.83Å; M2703-L2707 HydrophobicContact CE-CD2 4.03Å; H2705-L2707 PolarHBondContact O-N 2.66Å; L2707-L2710 CarbonylContact O-C 3.54Å; L2707-L2710 VanDerWaalsContact O-C 3.3Å; L2707-L2710 WeakPolarHBondContact O-CA 3.34Å; L2707-L2710 PolarHBondContact O-N 3.43Å; L2707-L2710 VanDerWaalsContact O-N 3.13Å; L2707-N2711 PolarHBondContact O-N 2.8Å; L2707-H2755 PolarHBondContact O-NE2 2.78Å; L2707-L2758 HydrophobicContact CD2-CD1 4.32Å; L2707-L2759 HydrophobicContact CD1-CD1 4.25Å; L2707-L2759 HydrophobicContact CD1-CD2 4.35Å; L2707-L2759 HydrophobicContact CD2-CD1 4.31Å; L2707-L2759 HydrophobicContact CD2-CD2 4.34Å; L2707-V2766 HydrophobicContact CD1-CG1 3.99Å; L2707-V2766 HydrophobicContact CD1-CG2 3.99Å |
| 2708 | N | 70.4 | Confident | 69.8 | Low | 49.6667 Ų | 49.6667 | 37.5 Ų | 37.5 | 27% | 0.266 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -40.7 | 175.3 | -98.3 | 0.2 | 0 | 0 | 0 | 112.5 | S2706 L2710 N2711 Y2963 | S2706-N2708 PolarHBondContact O-N 3.17Å; S2706-N2708 VanDerWaalsContact O-N 3.15Å; S2706-N2708 WeakPolarHBondContact OG-CB 3.42Å; S2706-N2708 PolarHBondContact OG-N 2.97Å; N2708-L2710 VanDerWaalsContact C-N 3.26Å; N2708-L2710 PolarHBondContact O-N 3.06Å; N2708-N2711 WeakPolarHBondContact O-CB 3.25Å; N2708-N2711 PolarHBondContact O-N 3.23Å; N2708-N2711 PolarHBondContact O-ND2 3.04Å; N2708-Y2963 PolarHBondContact ND2-O 2.9Å |
| 2709 | C | 70.6 | Confident | 69 | Low | 27.6667 Ų | 27.6667 | 40.7 Ų | 40.7 | 19% | 0.187 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -27.1 | 170.5 | -78.9 | 0 | 0 | 0 | 0 | 112.3 | D2454 Q2455 H2705 S2706 N2711 | D2454-C2709 WeakPolarHBondContact CB-SG 3.42Å; D2454-C2709 PolarHBondContact OD2-N 3.09Å; D2454-C2709 PolarHBondContact OD2-SG 2.99Å; D2454-C2709 VanDerWaalsContact OD2-SG 3.38Å; Q2455-C2709 WeakPolarHBondContact CB-SG 3.34Å; Q2455-C2709 PolarHBondContact OE1-SG 3.1Å; H2705-C2709 HydrophobicContact CB-CB 4.4Å; S2706-C2709 WeakPolarHBondContact O-CB 3.32Å; S2706-C2709 PolarHBondContact O-N 3.18Å; S2706-C2709 VanDerWaalsContact O-N 3.08Å; S2706-C2709 WeakPolarHBondContact OG-CB 3.43Å; S2706-C2709 PolarHBondContact OG-N 3.2Å; S2706-C2709 VanDerWaalsContact OG-N 3.1Å; C2709-N2711 PolarHBondContact O-N 3.48Å |
| 2710 | L | 75.5 | Confident | 67.6 | Low | 1 Ų | 1 | 47.6 Ų | 47.6 | 1% | 0.005 | 25% | 0.25 | C | C | . | . | trans | -99.2 | 33.5 | -177.4 | -61.3 | -178.7 | 0 | 0 | 0 | 112.9 | L2550 Y2554 M2703 H2705 S2706 L2707 N2708 A2712 V2754 H2755 L2758 | L2550-L2710 HydrophobicContact CB-CD2 4.42Å; L2550-L2710 HydrophobicContact CD2-CD2 4.34Å; L2550-L2710 HydrophobicContact CG-CD2 4.39Å; Y2554-L2710 HydrophobicContact CD2-CD1 4.3Å; Y2554-L2710 HydrophobicContact CD2-CD2 4.44Å; Y2554-L2710 HydrophobicContact CE2-CD1 4.03Å; Y2554-L2710 HydrophobicContact CE2-CD2 4.43Å; M2703-L2710 HydrophobicContact CE-CD1 3.47Å; M2703-L2710 VanDerWaalsContact CE-CD1 3.47Å; H2705-L2710 HydrophobicContact CB-CD1 3.87Å; H2705-L2710 VanDerWaalsContact CB-CD1 3.42Å; H2705-L2710 HydrophobicContact CB-CD2 4.36Å; H2705-L2710 HydrophobicContact CB-CG 4.02Å; S2706-L2710 PolarHBondContact O-N 3.28Å; S2706-L2710 VanDerWaalsContact O-N 3.15Å; L2707-L2710 CarbonylContact O-C 3.54Å; L2707-L2710 VanDerWaalsContact O-C 3.3Å; L2707-L2710 WeakPolarHBondContact O-CA 3.34Å; L2707-L2710 PolarHBondContact O-N 3.43Å; L2707-L2710 VanDerWaalsContact O-N 3.13Å; N2708-L2710 VanDerWaalsContact C-N 3.26Å; N2708-L2710 PolarHBondContact O-N 3.06Å; L2710-A2712 PolarHBondContact O-N 3.15Å; L2710-V2754 HydrophobicContact CB-CB 4.29Å; L2710-V2754 HydrophobicContact CB-CG1 3.93Å; L2710-V2754 HydrophobicContact CB-CG2 4.44Å; L2710-V2754 HydrophobicContact CD1-CG1 4.3Å; L2710-V2754 VanDerWaalsContact O-CB 3.31Å; L2710-V2754 WeakPolarHBondContact O-CB 3.47Å; L2710-V2754 WeakPolarHBondContact O-CG2 3.43Å; L2710-H2755 PolarHBondContact O-NE2 3.01Å; L2710-L2758 HydrophobicContact CD1-CD1 4.19Å | ||
| 2711 | N | 74.5 | Confident | 65.7 | Low | 96.6667 Ų | 96.6667 | 55.8 Ų | 55.8 | 52% | 0.517 | 29% | 0.29 | S | S | . | . | trans | -90.6 | 29.8 | -177 | -147 | -10.9 | 0 | 0 | 0 | 114.5 | L2707 N2708 C2709 H2755 | L2707-N2711 PolarHBondContact O-N 2.8Å; N2708-N2711 WeakPolarHBondContact O-CB 3.25Å; N2708-N2711 PolarHBondContact O-N 3.23Å; N2708-N2711 PolarHBondContact O-ND2 3.04Å; C2709-N2711 PolarHBondContact O-N 3.48Å; N2711-H2755 PolarHBondContact OD1-CE1 2.84Å | ||
| 2712 | A | 75.4 | Confident | 63.3 | Low | 12 Ų | 12 | 58.3 Ų | 58.3 | 10% | 0.099 | 31% | 0.311 | C | S | . | . | trans | -74.6 | 148.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | S2551 S2555 L2710 V2754 | S2551-A2712 VanDerWaalsContact OG-CB 3.27Å; S2551-A2712 WeakPolarHBondContact OG-CB 3.24Å; S2555-A2712 WeakPolarHBondContact CB-O 3.42Å; L2710-A2712 PolarHBondContact O-N 3.15Å; A2712-V2754 HydrophobicContact CB-CG2 4.34Å | ||
| 2713 | R | 78.2 | Confident | 60.9 | Low | 154.333 Ų | 154.333 | 63.9 Ų | 63.9 | 58% | 0.582 | 35% | 0.351 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 137.7 | 172.9 | -57.5 | -171.1 | -174.5 | 176.2 | 2.4 | 108.6 | E2751 G2752 T2753 H2835 | R2713-E2751 WeakPolarHBondContact CD-OE2 3.37Å; R2713-E2751 IonicContact CZ-OE1 3.5Å; R2713-E2751 IonicContact NH1-OE1 3.66Å; R2713-E2751 PolarHBondContact NH1-OE1 3Å; R2713-E2751 VanDerWaalsContact NH1-OE1 3.16Å; R2713-E2751 IonicContact NH1-OE2 3.47Å; R2713-G2752 CarbonylContact C-O 3.57Å; R2713-G2752 WeakPolarHBondContact CA-O 3.22Å; R2713-T2753 HydrophobicContact CG-CG2 4.18Å; R2713-H2835 PolarHBondContact NH1-NE2 3.15Å |
| 2714 | Y | 75 | Confident | 58.4 | Low | 46 Ų | 46 | 72 Ų | 72 | 18% | 0.18 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 119 | 174.3 | -171.2 | -96.2 | 0 | 0 | 0 | 109 | L2556 Y2559 G2752 | L2556-Y2714 HydrophobicContact CB-CD2 4.48Å; L2556-Y2714 HydrophobicContact CB-CG 4.39Å; L2556-Y2714 HydrophobicContact CD1-CD1 3.92Å; L2556-Y2714 HydrophobicContact CD1-CD2 4.29Å; L2556-Y2714 HydrophobicContact CD1-CE1 3.64Å; L2556-Y2714 HydrophobicContact CD1-CE2 4.05Å; L2556-Y2714 HydrophobicContact CD1-CG 4.23Å; Y2559-Y2714 AromaticContact CD1-CD1 3.69Å; Y2559-Y2714 HydrophobicContact CD1-CD1 3.69Å; Y2559-Y2714 AromaticContact CD1-CE1 3.62Å; Y2559-Y2714 HydrophobicContact CD1-CE1 3.62Å; Y2559-Y2714 HydrophobicContact CD2-CD1 4.4Å; Y2559-Y2714 HydrophobicContact CE1-CD1 4.37Å; Y2559-Y2714 AromaticContact CE1-CE1 3.94Å; Y2559-Y2714 HydrophobicContact CE1-CE1 3.97Å; Y2559-Y2714 AromaticContact CG-CD1 3.74Å; Y2559-Y2714 HydrophobicContact CG-CD1 3.74Å; Y2559-Y2714 HydrophobicContact CG-CE1 4.16Å; Y2714-G2752 PolarHBondContact N-O 3.21Å; Y2714-G2752 PolarHBondContact O-N 3.19Å |
| 2715 | T | 65.6 | Low | 56.1 | Low | 81.3333 Ų | 81.3333 | 76.1 Ų | 76.1 | 50% | 0.499 | 42% | 0.415 | S | S | . | . | trans | -107.2 | 127.4 | 166.5 | 50.7 | 0 | 0 | 0 | 0 | 106.5 | E2751 | T2715-E2751 HydrophobicContact CG2-CB 4.1Å; T2715-E2751 HydrophobicContact CG2-CG 3.66Å; T2715-E2751 VanDerWaalsContact CG2-OE1 3.24Å; T2715-E2751 WeakPolarHBondContact CG2-OE1 3.36Å | ||
| 2716 | G | 60.8 | Low | 54 | Low | 11.3333 Ų | 11.3333 | 82.3 Ų | 82.3 | 12% | 0.117 | 45% | 0.453 | C | S | . | . | trans | -54.1 | 158.6 | 169.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | N2718 | G2716-N2718 VanDerWaalsContact C-N 3.26Å; G2716-N2718 PolarHBondContact O-N 3.26Å | ||
| 2717 | S | 55.2 | Low | 52 | Low | 67 Ų | 67 | 91.1 Ų | 91.1 | 47% | 0.469 | 49% | 0.491 | S | S | . | . | trans | -63.4 | 98.5 | -175.9 | 74.3 | 0 | 0 | 0 | 0 | 112 | E2410 S2719 | E2410-S2717 VanDerWaalsContact OE1-CB 3.32Å; E2410-S2717 WeakPolarHBondContact OE1-CB 3.33Å; E2410-S2717 PolarHBondContact OE1-N 2.65Å; E2410-S2717 VanDerWaalsContact OE1-N 3.1Å; E2410-S2717 PolarHBondContact OE1-OG 3.16Å; E2410-S2717 WeakPolarHBondContact OE2-CB 3.18Å; E2410-S2717 PolarHBondContact OE2-OG 3.14Å; S2717-S2719 PolarHBondContact O-N 3.03Å; S2717-S2719 VanDerWaalsContact O-N 3.16Å | ||
| 2718 | N | 47 | Very low | 49.8 | Very low | 126 Ų | 126 | 94.4 Ų | 94.4 | 67% | 0.674 | 52% | 0.519 | S | S | * | . | trans | -43 | 72.1 | 162.7 | -80.9 | -15.8 | 0 | 0 | 0 | 110.1 | G2716 K2720 | G2716-N2718 VanDerWaalsContact C-N 3.26Å; G2716-N2718 PolarHBondContact O-N 3.26Å; N2718-K2720 PolarHBondContact O-N 3.25Å; N2718-K2720 VanDerWaalsContact O-N 3.12Å | ||
| 2719 | S | 38.5 | Very low | 47.8 | Very low | 80.3333 Ų | 80.3333 | 95.5 Ų | 95.5 | 56% | 0.562 | 53% | 0.527 | S | S | * | . | trans | -57.7 | 78.3 | 158 | 62 | 0 | 0 | 0 | 0 | 108.6 | S2717 M2721 | S2717-S2719 PolarHBondContact O-N 3.03Å; S2717-S2719 VanDerWaalsContact O-N 3.16Å; S2719-M2721 PolarHBondContact O-N 2.82Å | ||
| 2720 | K | 32.6 | Very low | 45.8 | Very low | 196.667 Ų | 196.667 | 104.1 Ų | 104.1 | 86% | 0.855 | 56% | 0.562 | S | S | * | * | trans | -41.2 | 95.8 | 176.6 | -71.2 | 176 | 179.6 | 174.8 | 0 | 109.3 | N2718 S2722 | N2718-K2720 PolarHBondContact O-N 3.25Å; N2718-K2720 VanDerWaalsContact O-N 3.12Å; K2720-S2722 PolarHBondContact O-N 3.17Å | ||
| 2721 | M | 29.2 | Very low | 43.7 | Very low | 180.333 Ų | 180.333 | 109.8 Ų | 109.8 | 89% | 0.888 | 60% | 0.597 | S | S | * | * | trans | -67.4 | 84.2 | 170.6 | -154.9 | 145.9 | 97.4 | 0 | 0 | 105.4 | S2719 S2723 | S2719-M2721 PolarHBondContact O-N 2.82Å; M2721-S2723 PolarHBondContact O-N 3.08Å; M2721-S2723 VanDerWaalsContact O-N 3.09Å | ||
| 2722 | S | 26.6 | Very low | 41.7 | Very low | 75 Ų | 75 | 108.9 Ų | 108.9 | 52% | 0.524 | 60% | 0.598 | S | S | . | * | trans | -55.2 | 122.6 | 170.2 | 55.2 | 0 | 0 | 0 | 0 | 105.5 | K2720 F2724 | K2720-S2722 PolarHBondContact O-N 3.17Å; S2722-F2724 VanDerWaalsContact C-N 3.31Å; S2722-F2724 WeakPolarHBondContact O-CD2 3.34Å; S2722-F2724 PolarHBondContact O-N 3.37Å | ||
| 2723 | S | 27.8 | Very low | 39.7 | Very low | 118.667 Ų | 118.667 | 113.2 Ų | 113.2 | 83% | 0.83 | 62% | 0.623 | S | S | * | * | trans | -50.9 | 105.1 | 169.3 | 43.7 | 0 | 0 | 0 | 0 | 107.6 | M2721 S2725 | M2721-S2723 PolarHBondContact O-N 3.08Å; M2721-S2723 VanDerWaalsContact O-N 3.09Å; S2723-S2725 PolarHBondContact O-N 3.01Å; S2723-S2725 VanDerWaalsContact O-N 3.1Å | ||
| 2724 | F | 26.9 | Very low | 37.8 | Very low | 170.667 Ų | 170.667 | 107.5 Ų | 107.5 | 75% | 0.749 | 61% | 0.607 | S | S | * | * | trans | -63.2 | 114.8 | 179.1 | -86.3 | -83.3 | 0 | 0 | 0 | 107.8 | S2722 T2726 | S2722-F2724 VanDerWaalsContact C-N 3.31Å; S2722-F2724 WeakPolarHBondContact O-CD2 3.34Å; S2722-F2724 PolarHBondContact O-N 3.37Å; F2724-T2726 PolarHBondContact O-N 3.09Å | ||
| 2725 | S | 27.1 | Very low | 36.1 | Very low | 88.3333 Ų | 88.3333 | 111.2 Ų | 111.2 | 62% | 0.618 | 62% | 0.624 | S | S | * | * | trans | -61.1 | 114.9 | 165.4 | 173.4 | 0 | 0 | 0 | 0 | 107.7 | S2723 K2727 A2728 | S2723-S2725 PolarHBondContact O-N 3.01Å; S2723-S2725 VanDerWaalsContact O-N 3.1Å; S2725-K2727 PolarHBondContact O-N 3.29Å; S2725-A2728 PolarHBondContact O-N 3.02Å | ||
| 2726 | T | 30.2 | Very low | 35.1 | Very low | 133 Ų | 133 | 110.5 Ų | 110.5 | 82% | 0.816 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.6 | 8.3 | -177.5 | 31.5 | 0 | 0 | 0 | 0 | 115 | F2724 V2729 | F2724-T2726 PolarHBondContact O-N 3.09Å; T2726-V2729 WeakPolarHBondContact O-CG2 3.24Å |
| 2727 | K | 30.9 | Very low | 34.5 | Very low | 190.333 Ų | 190.333 | 111.1 Ų | 111.1 | 83% | 0.828 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.2 | -11.5 | -178.7 | -75.1 | -174.2 | 175.6 | 179.9 | 0 | 115.2 | S2725 V2729 | S2725-K2727 PolarHBondContact O-N 3.29Å; K2727-V2729 PolarHBondContact O-N 2.93Å |
| 2728 | A | 27.7 | Very low | 34 | Very low | 76.6667 Ų | 76.6667 | 110.8 Ų | 110.8 | 63% | 0.634 | 61% | 0.611 | S | S | * | * | S | Bend | trans | -96.1 | 79.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | S2725 F2730 | S2725-A2728 PolarHBondContact O-N 3.02Å; A2728-F2730 PolarHBondContact O-N 3.33Å |
| 2729 | V | 27.8 | Very low | 33.9 | Very low | 73 Ų | 73 | 110.4 Ų | 110.4 | 44% | 0.442 | 61% | 0.605 | S | S | . | * | trans | 60.6 | 55.1 | 168.8 | -172.1 | 0 | 0 | 0 | 0 | 115.9 | T2726 K2727 T2731 S2732 F2735 | T2726-V2729 WeakPolarHBondContact O-CG2 3.24Å; K2727-V2729 PolarHBondContact O-N 2.93Å; V2729-T2731 WeakPolarHBondContact CG1-OG1 3.43Å; V2729-T2731 PolarHBondContact O-N 3.13Å; V2729-S2732 WeakPolarHBondContact CG1-OG 3.28Å; V2729-S2732 PolarHBondContact O-N 3.1Å; V2729-F2735 HydrophobicContact CG1-CD2 3.85Å; V2729-F2735 HydrophobicContact CG1-CE2 3.75Å; V2729-F2735 HydrophobicContact CG1-CG 4.34Å; V2729-F2735 HydrophobicContact CG1-CZ 4.12Å | ||
| 2730 | F | 28.6 | Very low | 34.2 | Very low | 207 Ų | 207 | 108.4 Ų | 108.4 | 91% | 0.908 | 59% | 0.586 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.3 | 4.4 | 170.9 | -79 | -78.2 | 0 | 0 | 0 | 115.5 | A2728 | A2728-F2730 PolarHBondContact O-N 3.33Š|
| 2731 | T | 32.4 | Very low | 34.5 | Very low | 122 Ų | 122 | 101.7 Ų | 101.7 | 75% | 0.748 | 56% | 0.561 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.6 | -5.7 | 178.7 | 54.1 | 0 | 0 | 0 | 0 | 114.1 | V2729 T2733 | V2729-T2731 WeakPolarHBondContact CG1-OG1 3.43Å; V2729-T2731 PolarHBondContact O-N 3.13Å; T2731-T2733 PolarHBondContact O-N 3.06Å |
| 2732 | S | 31.5 | Very low | 34.8 | Very low | 76.6667 Ų | 76.6667 | 96.9 Ų | 96.9 | 54% | 0.536 | 54% | 0.544 | S | S | . | . | trans | -85.4 | 115.2 | 175.4 | -78 | 0 | 0 | 0 | 0 | 110.4 | V2729 S2734 F2735 | V2729-S2732 WeakPolarHBondContact CG1-OG 3.28Å; V2729-S2732 PolarHBondContact O-N 3.1Å; S2732-S2734 PolarHBondContact O-N 2.91Å; S2732-F2735 PolarHBondContact O-N 3.23Å | ||
| 2733 | T | 35.2 | Very low | 35.2 | Very low | 103 Ų | 103 | 98.8 Ų | 98.8 | 63% | 0.632 | 56% | 0.557 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66 | 14.2 | -174.9 | 53.5 | 0 | 0 | 0 | 0 | 115 | R2268 T2731 | R2268-T2733 VanDerWaalsContact CZ-O 3.25Å; R2268-T2733 PolarHBondContact NE-O 2.73Å; R2268-T2733 VanDerWaalsContact NH1-CB 3.28Å; R2268-T2733 PolarHBondContact NH1-O 3.12Å; R2268-T2733 PolarHBondContact NH1-OG1 3.23Å; R2268-T2733 VanDerWaalsContact NH2-C 3.3Å; R2268-T2733 VanDerWaalsContact NH2-CB 3.27Å; R2268-T2733 PolarHBondContact NH2-O 3.36Å; R2268-T2733 PolarHBondContact NH2-OG1 3.2Å; T2731-T2733 PolarHBondContact O-N 3.06Å |
| 2734 | S | 37.9 | Very low | 35.5 | Very low | 34 Ų | 34 | 98.5 Ų | 98.5 | 24% | 0.238 | 56% | 0.555 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -77.6 | -21.4 | -178.4 | 57.2 | 0 | 0 | 0 | 0 | 114.3 | S2732 L2736 L2737 D2738 | S2732-S2734 PolarHBondContact O-N 2.91Å; S2734-L2736 VanDerWaalsContact C-N 3.27Å; S2734-L2736 PolarHBondContact O-N 3.25Å; S2734-L2736 VanDerWaalsContact O-N 3.11Å; S2734-L2737 PolarHBondContact O-N 3.17Å; S2734-D2738 PolarHBondContact O-N 3.2Å; S2734-D2738 VanDerWaalsContact O-N 3.17Å; S2734-D2738 PolarHBondContact OG-OD2 3.44Å |
| 2735 | F | 39.6 | Very low | 35.8 | Very low | 124.667 Ų | 124.667 | 95.1 Ų | 95.1 | 55% | 0.547 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -57.2 | -31.3 | -166.7 | -161.6 | -110.1 | 0 | 0 | 0 | 115.4 | V2729 S2732 D2738 Q2739 | V2729-F2735 HydrophobicContact CG1-CD2 3.85Å; V2729-F2735 HydrophobicContact CG1-CE2 3.75Å; V2729-F2735 HydrophobicContact CG1-CG 4.34Å; V2729-F2735 HydrophobicContact CG1-CZ 4.12Å; S2732-F2735 PolarHBondContact O-N 3.23Å; F2735-D2738 PolarHBondContact O-N 3.17Å; F2735-Q2739 HydrophobicContact CD1-CG 4.27Å; F2735-Q2739 HydrophobicContact CE1-CG 4.14Å; F2735-Q2739 HydrophobicContact CZ-CG 4.39Å; F2735-Q2739 WeakPolarHBondContact O-CB 3.03Å; F2735-Q2739 WeakPolarHBondContact O-CG 3.5Å; F2735-Q2739 PolarHBondContact O-N 3.37Å |
| 2736 | L | 43.6 | Very low | 36.2 | Very low | 66 Ų | 66 | 98.6 Ų | 98.6 | 35% | 0.346 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -79.3 | -30.9 | -178.3 | -71 | -179.6 | 0 | 0 | 0 | 114 | Q2272 S2734 D2738 F2740 | Q2272-L2736 HydrophobicContact CG-CD1 3.9Å; Q2272-L2736 VanDerWaalsContact NE2-CD1 3.29Å; S2734-L2736 VanDerWaalsContact C-N 3.27Å; S2734-L2736 PolarHBondContact O-N 3.25Å; S2734-L2736 VanDerWaalsContact O-N 3.11Å; L2736-D2738 VanDerWaalsContact C-N 3.31Å; L2736-F2740 VanDerWaalsContact O-CD2 3.25Å; L2736-F2740 WeakPolarHBondContact O-CD2 3.43Å; L2736-F2740 WeakPolarHBondContact O-CE2 3.27Å |
| 2737 | L | 47.9 | Very low | 36.6 | Very low | 24.6667 Ų | 24.6667 | 97 Ų | 97 | 13% | 0.129 | 53% | 0.534 | C | S | . | . | H | α-helix | trans | -73.1 | -35.2 | 171.1 | -88.5 | 107.7 | 0 | 0 | 0 | 110.2 | R2268 F2496 S2734 F2740 T2741 | R2268-L2737 HydrophobicContact CG-CD1 3.56Å; R2268-L2737 VanDerWaalsContact CG-CD1 3.45Å; R2268-L2737 HydrophobicContact CG-CG 4.28Å; R2268-L2737 VanDerWaalsContact NE-CD1 3.28Å; F2496-L2737 HydrophobicContact CB-CD2 3.61Å; F2496-L2737 HydrophobicContact CB-CG 4.19Å; F2496-L2737 HydrophobicContact CD1-CD2 4.12Å; F2496-L2737 HydrophobicContact CD2-CD2 3.62Å; F2496-L2737 HydrophobicContact CD2-CG 4.14Å; F2496-L2737 HydrophobicContact CE1-CD2 4.38Å; F2496-L2737 HydrophobicContact CE2-CD2 3.89Å; F2496-L2737 HydrophobicContact CG-CD2 3.51Å; F2496-L2737 VanDerWaalsContact CG-CD2 3.46Å; F2496-L2737 HydrophobicContact CG-CG 4.22Å; F2496-L2737 HydrophobicContact CZ-CD2 4.22Å; S2734-L2737 PolarHBondContact O-N 3.17Å; L2737-F2740 PolarHBondContact O-N 2.97Å; L2737-T2741 PolarHBondContact O-N 3.14Å |
| 2738 | D | 45.3 | Very low | 37.1 | Very low | 59.6667 Ų | 59.6667 | 96.7 Ų | 96.7 | 32% | 0.319 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -71.5 | -31.7 | 179.4 | -70.7 | -25.5 | 0 | 0 | 0 | 113.3 | S2734 F2735 L2736 F2740 T2741 | S2734-D2738 PolarHBondContact O-N 3.2Å; S2734-D2738 VanDerWaalsContact O-N 3.17Å; S2734-D2738 PolarHBondContact OG-OD2 3.44Å; F2735-D2738 PolarHBondContact O-N 3.17Å; L2736-D2738 VanDerWaalsContact C-N 3.31Å; D2738-F2740 PolarHBondContact O-N 3.24Å; D2738-F2740 VanDerWaalsContact O-N 3.14Å; D2738-T2741 WeakPolarHBondContact CA-OG1 3.46Å; D2738-T2741 WeakPolarHBondContact O-CB 3.27Å; D2738-T2741 PolarHBondContact O-N 2.75Å; D2738-T2741 PolarHBondContact O-OG1 3.09Å |
| 2739 | Q | 45.1 | Very low | 38 | Very low | 117.333 Ų | 117.333 | 96 Ų | 96 | 55% | 0.548 | 52% | 0.519 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | -19.6 | 176.1 | -89.9 | -170.5 | 6.8 | 0 | 0 | 113.9 | F2735 T2741 | F2735-Q2739 HydrophobicContact CD1-CG 4.27Å; F2735-Q2739 HydrophobicContact CE1-CG 4.14Å; F2735-Q2739 HydrophobicContact CZ-CG 4.39Å; F2735-Q2739 WeakPolarHBondContact O-CB 3.03Å; F2735-Q2739 WeakPolarHBondContact O-CG 3.5Å; F2735-Q2739 PolarHBondContact O-N 3.37Å; Q2739-T2741 VanDerWaalsContact C-N 3.34Å |
| 2740 | F | 43.5 | Very low | 39.6 | Very low | 38.3333 Ų | 38.3333 | 96.7 Ų | 96.7 | 17% | 0.168 | 51% | 0.514 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.8 | 8.8 | 174.9 | -61.3 | -73 | 0 | 0 | 0 | 113.8 | V2271 L2275 I2286 L2294 K2500 L2736 L2737 D2738 P2742 | V2271-F2740 HydrophobicContact CG1-CD2 4.34Å; V2271-F2740 HydrophobicContact CG1-CE2 3.59Å; V2271-F2740 VanDerWaalsContact CG1-CE2 3.46Å; V2271-F2740 HydrophobicContact CG1-CZ 3.95Å; L2275-F2740 HydrophobicContact CD1-CE1 3.78Å; L2275-F2740 VanDerWaalsContact CD1-CE1 3.4Å; L2275-F2740 HydrophobicContact CD1-CE2 4.09Å; L2275-F2740 HydrophobicContact CD1-CZ 3.42Å; L2275-F2740 HydrophobicContact CD2-CE1 4.4Å; L2275-F2740 HydrophobicContact CD2-CZ 4.4Å; L2275-F2740 HydrophobicContact CG-CE1 4.49Å; L2275-F2740 HydrophobicContact CG-CZ 4.42Å; I2286-F2740 HydrophobicContact CD1-CD1 4.1Å; I2286-F2740 HydrophobicContact CD1-CE1 3.74Å; I2286-F2740 VanDerWaalsContact CD1-CE1 3.41Å; I2286-F2740 HydrophobicContact CD1-CZ 4.04Å; L2294-F2740 HydrophobicContact CD2-CD1 4.33Å; L2294-F2740 HydrophobicContact CD2-CE1 3.54Å; L2294-F2740 HydrophobicContact CD2-CZ 3.85Å; K2500-F2740 PolarHBondContact NZ-O 3.3Å; K2500-F2740 VanDerWaalsContact NZ-O 3.16Å; L2736-F2740 VanDerWaalsContact O-CD2 3.25Å; L2736-F2740 WeakPolarHBondContact O-CD2 3.43Å; L2736-F2740 WeakPolarHBondContact O-CE2 3.27Å; L2737-F2740 PolarHBondContact O-N 2.97Å; D2738-F2740 PolarHBondContact O-N 3.24Å; D2738-F2740 VanDerWaalsContact O-N 3.14Å; F2740-P2742 WeakPolarHBondContact O-CD 3.28Å |
| 2741 | T | 40.6 | Very low | 41.5 | Very low | 55.6667 Ų | 55.6667 | 90.9 Ų | 90.9 | 34% | 0.342 | 49% | 0.489 | S | S | . | . | S | Bend | trans | -86.8 | 115.8 | 169.4 | 58.9 | 0 | 0 | 0 | 0 | 108.8 | Q2495 L2737 D2738 Q2739 S2743 | Q2495-T2741 HydrophobicContact CB-CG2 4.17Å; Q2495-T2741 HydrophobicContact CG-CG2 4.08Å; L2737-T2741 PolarHBondContact O-N 3.14Å; D2738-T2741 WeakPolarHBondContact CA-OG1 3.46Å; D2738-T2741 WeakPolarHBondContact O-CB 3.27Å; D2738-T2741 PolarHBondContact O-N 2.75Å; D2738-T2741 PolarHBondContact O-OG1 3.09Å; Q2739-T2741 VanDerWaalsContact C-N 3.34Å; T2741-S2743 PolarHBondContact O-N 3.15Å |
| 2742 | P | 34.7 | Very low | 43.5 | Very low | 80 Ų | 80 | 85.1 Ų | 85.1 | 52% | 0.519 | 45% | 0.454 | S | S | . | . | trans | -61.9 | 114.2 | 171.1 | 23 | -29.1 | 0 | 0 | 0 | 108.2 | F2740 S2744 V2745 | F2740-P2742 WeakPolarHBondContact O-CD 3.28Å; P2742-S2744 PolarHBondContact O-N 3.05Å; P2742-V2745 HydrophobicContact CB-CG2 4.31Å; P2742-V2745 HydrophobicContact CG-CG2 4.21Å | ||
| 2743 | S | 34.7 | Very low | 46 | Very low | 115 Ų | 115 | 83.1 Ų | 83.1 | 80% | 0.804 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.1 | 96.9 | 171.3 | 54.7 | 0 | 0 | 0 | 0 | 110.7 | T2741 | T2741-S2743 PolarHBondContact O-N 3.15Š|
| 2744 | S | 33.5 | Very low | 48.2 | Very low | 112.667 Ų | 112.667 | 78.3 Ų | 78.3 | 79% | 0.788 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 113.1 | 21.4 | 176.2 | 75.2 | 0 | 0 | 0 | 0 | 118.3 | P2742 Q2746 | P2742-S2744 PolarHBondContact O-N 3.05Å; S2744-Q2746 VanDerWaalsContact C-N 3.27Å; S2744-Q2746 PolarHBondContact O-N 3.21Å |
| 2745 | V | 34.3 | Very low | 50.2 | Low | 98.6667 Ų | 98.6667 | 79.8 Ų | 79.8 | 60% | 0.598 | 41% | 0.412 | S | S | * | . | trans | -97.3 | 90.7 | 155.2 | -171.7 | 0 | 0 | 0 | 0 | 107.2 | P2742 Y2747 | P2742-V2745 HydrophobicContact CB-CG2 4.31Å; P2742-V2745 HydrophobicContact CG-CG2 4.21Å; V2745-Y2747 VanDerWaalsContact C-N 3.29Å; V2745-Y2747 PolarHBondContact O-N 3.06Å | ||
| 2746 | Q | 34.3 | Very low | 52 | Low | 162.333 Ų | 162.333 | 74 Ų | 74 | 76% | 0.759 | 39% | 0.388 | S | S | * | . | trans | -57.1 | 101.7 | 168 | -120.2 | 167.2 | -14.5 | 0 | 0 | 107 | S2744 Y2748 | S2744-Q2746 VanDerWaalsContact C-N 3.27Å; S2744-Q2746 PolarHBondContact O-N 3.21Å; Q2746-Y2748 VanDerWaalsContact C-N 3.33Å; Q2746-Y2748 PolarHBondContact O-N 3.16Å | ||
| 2747 | Y | 40.3 | Very low | 54 | Low | 98.6667 Ų | 98.6667 | 70.9 Ų | 70.9 | 39% | 0.387 | 37% | 0.371 | S | S | . | . | trans | -62.6 | 105.5 | 169.4 | -99.5 | -90.2 | 0 | 0 | 0 | 106.9 | Q2495 E2499 R2570 V2745 C2749 | Q2495-Y2747 VanDerWaalsContact OE1-CE2 3.3Å; Q2495-Y2747 PolarHBondContact OE1-OH 3.34Å; E2499-Y2747 WeakPolarHBondContact OE1-CE2 3.18Å; E2499-Y2747 PolarHBondContact OE1-OH 3.05Å; R2570-Y2747 PolarHBondContact NH1-OH 3.5Å; R2570-Y2747 VanDerWaalsContact NH2-CE1 3.35Å; R2570-Y2747 PolarHBondContact NH2-OH 3.06Å; V2745-Y2747 VanDerWaalsContact C-N 3.29Å; V2745-Y2747 PolarHBondContact O-N 3.06Å; Y2747-C2749 VanDerWaalsContact C-N 3.26Å; Y2747-C2749 PolarHBondContact O-N 3.15Å; Y2747-C2749 VanDerWaalsContact O-N 3.14Å | ||
| 2748 | Y | 40.4 | Very low | 55.7 | Low | 185.333 Ų | 185.333 | 69.7 Ų | 69.7 | 73% | 0.727 | 37% | 0.365 | S | S | * | . | trans | -67.6 | 89.7 | 160.5 | -78.8 | -88.2 | 0 | 0 | 0 | 106.1 | Q2746 R2750 | Q2746-Y2748 VanDerWaalsContact C-N 3.33Å; Q2746-Y2748 PolarHBondContact O-N 3.16Å; Y2748-R2750 VanDerWaalsContact C-N 3.29Å; Y2748-R2750 PolarHBondContact O-N 3.29Å | ||
| 2749 | C | 47 | Very low | 57.3 | Low | 61 Ų | 61 | 68.4 Ų | 68.4 | 41% | 0.412 | 36% | 0.358 | S | S | . | . | trans | -59.9 | 99.7 | 163.8 | -69.5 | 0 | 0 | 0 | 0 | 105.7 | Y2747 E2751 | Y2747-C2749 VanDerWaalsContact C-N 3.26Å; Y2747-C2749 PolarHBondContact O-N 3.15Å; Y2747-C2749 VanDerWaalsContact O-N 3.14Å; C2749-E2751 PolarHBondContact O-N 2.93Å | ||
| 2750 | R | 60.3 | Low | 58.8 | Low | 88.6667 Ų | 88.6667 | 67.3 Ų | 67.3 | 34% | 0.335 | 36% | 0.356 | S | S | . | . | P | Polyproline II helix | trans | -70.4 | 124.7 | 179.1 | -163.1 | 177.7 | -175.4 | 174.9 | 3.6 | 107 | Y2559 H2562 Y2748 D2760 | Y2559-R2750 VanDerWaalsContact CD2-O 3.28Å; Y2559-R2750 WeakPolarHBondContact CD2-O 3.32Å; H2562-R2750 PolarHBondContact CD2-NH1 3.45Å; H2562-R2750 VanDerWaalsContact CD2-NH1 3.28Å; H2562-R2750 PolarHBondContact NE2-NH1 3.23Å; Y2748-R2750 VanDerWaalsContact C-N 3.29Å; Y2748-R2750 PolarHBondContact O-N 3.29Å; R2750-D2760 IonicContact NH2-OD2 3.4Å |
| 2751 | E | 69.8 | Low | 60.5 | Low | 84.6667 Ų | 84.6667 | 65.9 Ų | 65.9 | 40% | 0.396 | 35% | 0.35 | S | S | . | . | P | Polyproline II helix | trans | -69.6 | 132.3 | 170 | -18.8 | -172.7 | 165.1 | 0 | 0 | 108.1 | R2713 T2715 C2749 T2753 | R2713-E2751 WeakPolarHBondContact CD-OE2 3.37Å; R2713-E2751 IonicContact CZ-OE1 3.5Å; R2713-E2751 IonicContact NH1-OE1 3.66Å; R2713-E2751 PolarHBondContact NH1-OE1 3Å; R2713-E2751 VanDerWaalsContact NH1-OE1 3.16Å; R2713-E2751 IonicContact NH1-OE2 3.47Å; T2715-E2751 HydrophobicContact CG2-CB 4.1Å; T2715-E2751 HydrophobicContact CG2-CG 3.66Å; T2715-E2751 VanDerWaalsContact CG2-OE1 3.24Å; T2715-E2751 WeakPolarHBondContact CG2-OE1 3.36Å; C2749-E2751 PolarHBondContact O-N 2.93Å; E2751-T2753 HydrophobicContact CG-CG2 4.14Å |
| 2752 | G | 74.3 | Confident | 62.3 | Low | 0.666667 Ų | 0.666667 | 63.7 Ų | 63.7 | 1% | 0.007 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 133.2 | 170.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | S2555 D2558 R2713 Y2714 | S2555-G2752 WeakPolarHBondContact CB-O 3.27Å; S2555-G2752 CarbonylContact O-C 3.56Å; S2555-G2752 VanDerWaalsContact O-CA 3.31Å; S2555-G2752 WeakPolarHBondContact O-CA 3.41Å; D2558-G2752 WeakPolarHBondContact OD2-CA 3.41Å; R2713-G2752 CarbonylContact C-O 3.57Å; R2713-G2752 WeakPolarHBondContact CA-O 3.22Å; Y2714-G2752 PolarHBondContact N-O 3.21Å; Y2714-G2752 PolarHBondContact O-N 3.19Å |
| 2753 | T | 82.8 | Confident | 64.3 | Low | 33.6667 Ų | 33.6667 | 63.8 Ų | 63.8 | 21% | 0.207 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 144.6 | -178.1 | 66.4 | 0 | 0 | 0 | 0 | 110.4 | D2558 R2713 E2751 H2755 G2756 L2757 | D2558-T2753 PolarHBondContact OD2-N 3.14Å; R2713-T2753 HydrophobicContact CG-CG2 4.18Å; E2751-T2753 HydrophobicContact CG-CG2 4.14Å; T2753-H2755 VanDerWaalsContact C-N 3.26Å; T2753-H2755 PolarHBondContact O-N 2.86Å; T2753-G2756 PolarHBondContact O-N 2.87Å; T2753-G2756 VanDerWaalsContact O-N 3.16Å; T2753-G2756 WeakPolarHBondContact OG1-CA 3.39Å; T2753-G2756 PolarHBondContact OG1-N 3.21Å; T2753-L2757 PolarHBondContact O-N 2.73Å; T2753-L2757 VanDerWaalsContact O-N 3.15Å |
| 2754 | V | 81.2 | Confident | 66.4 | Low | 1.66667 Ų | 1.66667 | 58.7 Ų | 58.7 | 1% | 0.01 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -62.8 | -35.3 | 176.7 | -175 | 0 | 0 | 0 | 0 | 111.6 | S2551 Y2554 L2710 A2712 L2757 L2758 | S2551-V2754 VanDerWaalsContact O-CG2 3.3Å; S2551-V2754 WeakPolarHBondContact O-CG2 3.29Å; Y2554-V2754 HydrophobicContact CD2-CG1 3.76Å; Y2554-V2754 HydrophobicContact CG-CG1 4.09Å; L2710-V2754 HydrophobicContact CB-CB 4.29Å; L2710-V2754 HydrophobicContact CB-CG1 3.93Å; L2710-V2754 HydrophobicContact CB-CG2 4.44Å; L2710-V2754 HydrophobicContact CD1-CG1 4.3Å; L2710-V2754 VanDerWaalsContact O-CB 3.31Å; L2710-V2754 WeakPolarHBondContact O-CB 3.47Å; L2710-V2754 WeakPolarHBondContact O-CG2 3.43Å; A2712-V2754 HydrophobicContact CB-CG2 4.34Å; V2754-L2757 PolarHBondContact O-N 2.89Å; V2754-L2758 HydrophobicContact CG1-CD1 3.52Å; V2754-L2758 VanDerWaalsContact CG1-CD1 3.49Å; V2754-L2758 HydrophobicContact CG1-CG 3.92Å; V2754-L2758 WeakPolarHBondContact O-CB 3.26Å; V2754-L2758 WeakPolarHBondContact O-CG 3.27Å; V2754-L2758 PolarHBondContact O-N 2.96Å |
| 2755 | H | 80.9 | Confident | 68.4 | Low | 67.3333 Ų | 67.3333 | 54 Ų | 54 | 31% | 0.312 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -63 | -44.2 | 175.1 | -97.1 | -178.7 | 0 | 0 | 0 | 111.5 | W2665 L2707 L2710 N2711 T2753 L2757 L2759 D2760 | W2665-H2755 AromaticContact CH2-CD2 3.12Å; W2665-H2755 WeakPolarHBondContact CH2-CD2 3.46Å; W2665-H2755 AromaticContact CH2-NE2 3.45Å; W2665-H2755 WeakPolarHBondContact CH2-NE2 3.29Å; W2665-H2755 AromaticContact CZ2-CD2 3.93Å; W2665-H2755 AromaticContact CZ3-CD2 3.66Å; W2665-H2755 AromaticContact CZ3-NE2 3.67Å; L2707-H2755 PolarHBondContact O-NE2 2.78Å; L2710-H2755 PolarHBondContact O-NE2 3.01Å; N2711-H2755 PolarHBondContact OD1-CE1 2.84Å; T2753-H2755 VanDerWaalsContact C-N 3.26Å; T2753-H2755 PolarHBondContact O-N 2.86Å; H2755-L2757 VanDerWaalsContact C-N 3.3Å; H2755-L2757 PolarHBondContact O-N 3.13Å; H2755-L2759 HydrophobicContact CB-CD1 4.26Å; H2755-L2759 HydrophobicContact CB-CG 4.44Å; H2755-L2759 WeakPolarHBondContact CD2-CD1 3.43Å; H2755-L2759 WeakPolarHBondContact NE2-CD1 3.49Å; H2755-L2759 WeakPolarHBondContact O-CA 3.36Å; H2755-L2759 VanDerWaalsContact O-CB 3.25Å; H2755-L2759 WeakPolarHBondContact O-CB 3.45Å; H2755-L2759 PolarHBondContact O-N 2.96Å; H2755-D2760 IonicContact CE1-OD1 2.93Å; H2755-D2760 PolarHBondContact CE1-OD1 3.11Å; H2755-D2760 VanDerWaalsContact CE1-OD1 3.3Å; H2755-D2760 IonicContact CE1-OD2 2.9Å; H2755-D2760 IonicContact ND1-OD1 3.74Å; H2755-D2760 IonicContact ND1-OD2 2.88Å; H2755-D2760 PolarHBondContact ND1-OD2 3.25Å; H2755-D2760 PolarHBondContact O-N 3.22Å |
| 2756 | G | 77.7 | Confident | 70.4 | Confident | 2.66667 Ų | 2.66667 | 49.9 Ų | 49.9 | 3% | 0.027 | 24% | 0.237 | C | C | . | . | I | π-helix | trans | -55 | -46.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | T2753 D2760 L2761 | T2753-G2756 PolarHBondContact O-N 2.87Å; T2753-G2756 VanDerWaalsContact O-N 3.16Å; T2753-G2756 WeakPolarHBondContact OG1-CA 3.39Å; T2753-G2756 PolarHBondContact OG1-N 3.21Å; G2756-D2760 WeakPolarHBondContact CA-OD2 3.39Å; G2756-D2760 CarbonylContact O-C 3.47Å; G2756-D2760 WeakPolarHBondContact O-CA 3.07Å; G2756-D2760 VanDerWaalsContact O-CB 3.28Å; G2756-D2760 WeakPolarHBondContact O-CB 3.35Å; G2756-D2760 PolarHBondContact O-N 3.32Å; G2756-D2760 VanDerWaalsContact O-N 3.16Å; G2756-L2761 WeakPolarHBondContact O-CG 3.4Å; G2756-L2761 PolarHBondContact O-N 3Å |
| 2757 | L | 85 | Confident | 72.3 | Confident | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 20% | 0.201 | C | C | . | . | I | π-helix | trans | -67.9 | -57.6 | 178.1 | -172.5 | 71.4 | 0 | 0 | 0 | 113.2 | Y2554 L2557 D2558 L2561 T2753 V2754 H2755 L2761 F2762 | Y2554-L2757 HydrophobicContact CD1-CD2 3.62Å; Y2554-L2757 VanDerWaalsContact CD1-CD2 3.47Å; Y2554-L2757 HydrophobicContact CE1-CD2 4.3Å; Y2554-L2757 HydrophobicContact CG-CD2 4.16Å; L2557-L2757 HydrophobicContact CB-CD2 4.41Å; L2557-L2757 HydrophobicContact CD2-CD1 4.32Å; L2557-L2757 HydrophobicContact CD2-CD2 4.01Å; D2558-L2757 HydrophobicContact CB-CB 4.11Å; L2561-L2757 HydrophobicContact CD1-CD1 3.9Å; T2753-L2757 PolarHBondContact O-N 2.73Å; T2753-L2757 VanDerWaalsContact O-N 3.15Å; V2754-L2757 PolarHBondContact O-N 2.89Å; H2755-L2757 VanDerWaalsContact C-N 3.3Å; H2755-L2757 PolarHBondContact O-N 3.13Å; L2757-L2761 HydrophobicContact CD1-CD1 4.13Å; L2757-L2761 WeakPolarHBondContact O-CB 3.35Å; L2757-L2761 PolarHBondContact O-N 3.46Å; L2757-F2762 HydrophobicContact CD1-CE1 4.37Å; L2757-F2762 HydrophobicContact CD1-CE2 4.07Å; L2757-F2762 HydrophobicContact CD1-CZ 3.95Å; L2757-F2762 HydrophobicContact CD2-CE2 4.22Å; L2757-F2762 HydrophobicContact CG-CD2 4.33Å; L2757-F2762 HydrophobicContact CG-CE2 3.82Å; L2757-F2762 HydrophobicContact CG-CZ 4.23Å; L2757-F2762 WeakPolarHBondContact O-CD2 3.5Å; L2757-F2762 PolarHBondContact O-N 3.09Å; L2757-F2762 VanDerWaalsContact O-N 3.13Å |
| 2758 | L | 82.9 | Confident | 73.8 | Confident | 0.333333 Ų | 0.333333 | 38.2 Ų | 38.2 | 0% | 0.002 | 19% | 0.187 | C | C | . | . | I | π-helix | trans | -75.8 | -38.4 | -168.6 | -65 | -176.8 | 0 | 0 | 0 | 112.5 | Y2554 M2703 L2707 L2710 V2754 F2762 N2763 L2764 | Y2554-L2758 HydrophobicContact CD2-CD1 4.43Å; Y2554-L2758 HydrophobicContact CE1-CD2 4.4Å; Y2554-L2758 HydrophobicContact CE2-CD1 4.35Å; M2703-L2758 HydrophobicContact CE-CD1 3.81Å; M2703-L2758 HydrophobicContact SD-CD1 4Å; L2707-L2758 HydrophobicContact CD2-CD1 4.32Å; L2710-L2758 HydrophobicContact CD1-CD1 4.19Å; V2754-L2758 HydrophobicContact CG1-CD1 3.52Å; V2754-L2758 VanDerWaalsContact CG1-CD1 3.49Å; V2754-L2758 HydrophobicContact CG1-CG 3.92Å; V2754-L2758 WeakPolarHBondContact O-CB 3.26Å; V2754-L2758 WeakPolarHBondContact O-CG 3.27Å; V2754-L2758 PolarHBondContact O-N 2.96Å; L2758-F2762 HydrophobicContact CD2-CD2 4.08Å; L2758-F2762 HydrophobicContact CD2-CE2 4.41Å; L2758-N2763 PolarHBondContact O-N 3.3Å; L2758-L2764 HydrophobicContact CB-CD1 4.2Å; L2758-L2764 HydrophobicContact CD2-CD1 4.1Å; L2758-L2764 WeakPolarHBondContact O-CB 3.34Å; L2758-L2764 WeakPolarHBondContact O-CD1 3.39Å; L2758-L2764 VanDerWaalsContact O-CG 3.31Å; L2758-L2764 WeakPolarHBondContact O-CG 3.19Å; L2758-L2764 PolarHBondContact O-N 3.19Å; L2758-L2764 VanDerWaalsContact O-N 3.1Å |
| 2759 | L | 79.6 | Confident | 75.2 | Confident | 32.3333 Ų | 32.3333 | 36.1 Ų | 36.1 | 17% | 0.169 | 18% | 0.183 | C | C | . | . | I | π-helix | trans | -98 | -47.9 | -174.1 | -53.9 | -179.3 | 0 | 0 | 0 | 111.5 | A2664 W2665 L2707 H2755 N2763 L2764 V2766 | A2664-L2759 HydrophobicContact CB-CD2 4.21Å; W2665-L2759 HydrophobicContact CE3-CD1 3.57Å; W2665-L2759 HydrophobicContact CH2-CD1 3.88Å; W2665-L2759 HydrophobicContact CZ3-CD1 3.17Å; L2707-L2759 HydrophobicContact CD1-CD1 4.25Å; L2707-L2759 HydrophobicContact CD1-CD2 4.35Å; L2707-L2759 HydrophobicContact CD2-CD1 4.31Å; L2707-L2759 HydrophobicContact CD2-CD2 4.34Å; H2755-L2759 HydrophobicContact CB-CD1 4.26Å; H2755-L2759 HydrophobicContact CB-CG 4.44Å; H2755-L2759 WeakPolarHBondContact CD2-CD1 3.43Å; H2755-L2759 WeakPolarHBondContact NE2-CD1 3.49Å; H2755-L2759 WeakPolarHBondContact O-CA 3.36Å; H2755-L2759 VanDerWaalsContact O-CB 3.25Å; H2755-L2759 WeakPolarHBondContact O-CB 3.45Å; H2755-L2759 PolarHBondContact O-N 2.96Å; L2759-N2763 WeakPolarHBondContact O-CA 3.39Å; L2759-N2763 PolarHBondContact O-N 3.04Å; L2759-N2763 VanDerWaalsContact O-N 3.14Å; L2759-N2763 PolarHBondContact O-OD1 2.89Å; L2759-L2764 VanDerWaalsContact CD2-O 3.28Å; L2759-L2764 WeakPolarHBondContact CD2-O 3.28Å; L2759-V2766 HydrophobicContact CD1-CG2 4.22Å; L2759-V2766 HydrophobicContact CD2-CG2 3.52Å; L2759-V2766 HydrophobicContact CG-CG2 4.49Å |
| 2760 | D | 77.2 | Confident | 76.2 | Confident | 94.3333 Ų | 94.3333 | 34.2 Ų | 34.2 | 50% | 0.504 | 17% | 0.17 | S | C | . | . | I | π-helix | trans | -82 | -37.1 | -174.9 | -55.6 | -30.1 | 0 | 0 | 0 | 112.9 | R2750 H2755 G2756 N2763 | R2750-D2760 IonicContact NH2-OD2 3.4Å; H2755-D2760 IonicContact CE1-OD1 2.93Å; H2755-D2760 PolarHBondContact CE1-OD1 3.11Å; H2755-D2760 VanDerWaalsContact CE1-OD1 3.3Å; H2755-D2760 IonicContact CE1-OD2 2.9Å; H2755-D2760 IonicContact ND1-OD1 3.74Å; H2755-D2760 IonicContact ND1-OD2 2.88Å; H2755-D2760 PolarHBondContact ND1-OD2 3.25Å; H2755-D2760 PolarHBondContact O-N 3.22Å; G2756-D2760 WeakPolarHBondContact CA-OD2 3.39Å; G2756-D2760 CarbonylContact O-C 3.47Å; G2756-D2760 WeakPolarHBondContact O-CA 3.07Å; G2756-D2760 VanDerWaalsContact O-CB 3.28Å; G2756-D2760 WeakPolarHBondContact O-CB 3.35Å; G2756-D2760 PolarHBondContact O-N 3.32Å; G2756-D2760 VanDerWaalsContact O-N 3.16Å; D2760-N2763 PolarHBondContact O-OD1 3.34Å |
| 2761 | L | 78.5 | Confident | 76.6 | Confident | 7.33333 Ų | 7.33333 | 30.3 Ų | 30.3 | 4% | 0.038 | 16% | 0.156 | C | C | . | . | I | π-helix | trans | -91.4 | -47.1 | -178.2 | -63.8 | 179.5 | 0 | 0 | 0 | 113.1 | D2558 L2561 L2605 L2611 G2756 L2757 | D2558-L2761 WeakPolarHBondContact OD1-CD1 3.43Å; L2561-L2761 HydrophobicContact CD1-CD1 4.19Å; L2605-L2761 HydrophobicContact CB-CD2 4.5Å; L2605-L2761 HydrophobicContact CD2-CD1 4Å; L2605-L2761 HydrophobicContact CD2-CD2 3.56Å; L2605-L2761 VanDerWaalsContact CD2-CD2 3.45Å; L2605-L2761 HydrophobicContact CD2-CG 4.19Å; L2605-L2761 HydrophobicContact CG-CD2 4.5Å; L2611-L2761 HydrophobicContact CD1-CB 4.41Å; L2611-L2761 HydrophobicContact CD1-CD1 4.39Å; G2756-L2761 WeakPolarHBondContact O-CG 3.4Å; G2756-L2761 PolarHBondContact O-N 3Å; L2757-L2761 HydrophobicContact CD1-CD1 4.13Å; L2757-L2761 WeakPolarHBondContact O-CB 3.35Å; L2757-L2761 PolarHBondContact O-N 3.46Å |
| 2762 | F | 79.7 | Confident | 76.7 | Confident | 10.6667 Ų | 10.6667 | 29.9 Ų | 29.9 | 5% | 0.047 | 15% | 0.154 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.8 | -12.2 | 178.7 | -61.9 | -28.4 | 0 | 0 | 0 | 113.8 | L2611 I2614 K2615 I2619 I2620 P2630 T2635 L2757 L2758 L2764 | L2611-F2762 HydrophobicContact CD1-CE1 4.19Å; I2614-F2762 HydrophobicContact CG2-CE1 4.1Å; I2614-F2762 HydrophobicContact CG2-CZ 3.8Å; K2615-F2762 HydrophobicContact CG-CD1 4.13Å; K2615-F2762 HydrophobicContact CG-CE1 4.23Å; I2619-F2762 HydrophobicContact CD1-CZ 4.08Å; I2619-F2762 HydrophobicContact CG2-CE2 4.05Å; I2619-F2762 HydrophobicContact CG2-CZ 4.33Å; I2620-F2762 HydrophobicContact CD1-CD2 4.26Å; I2620-F2762 HydrophobicContact CG1-CD2 4.4Å; P2630-F2762 HydrophobicContact CB-CD1 3.96Å; P2630-F2762 HydrophobicContact CB-CD2 4.31Å; P2630-F2762 HydrophobicContact CB-CE1 4.08Å; P2630-F2762 HydrophobicContact CB-CE2 4.36Å; P2630-F2762 HydrophobicContact CB-CG 4.16Å; P2630-F2762 HydrophobicContact CB-CZ 4.39Å; P2630-F2762 HydrophobicContact CG-CD1 4.19Å; P2630-F2762 HydrophobicContact CG-CD2 4.16Å; P2630-F2762 HydrophobicContact CG-CE1 3.89Å; P2630-F2762 HydrophobicContact CG-CE2 3.86Å; P2630-F2762 HydrophobicContact CG-CG 4.34Å; P2630-F2762 HydrophobicContact CG-CZ 3.72Å; T2635-F2762 VanDerWaalsContact CG2-O 3.3Å; T2635-F2762 WeakPolarHBondContact CG2-O 3.47Å; L2757-F2762 HydrophobicContact CD1-CE1 4.37Å; L2757-F2762 HydrophobicContact CD1-CE2 4.07Å; L2757-F2762 HydrophobicContact CD1-CZ 3.95Å; L2757-F2762 HydrophobicContact CD2-CE2 4.22Å; L2757-F2762 HydrophobicContact CG-CD2 4.33Å; L2757-F2762 HydrophobicContact CG-CE2 3.82Å; L2757-F2762 HydrophobicContact CG-CZ 4.23Å; L2757-F2762 WeakPolarHBondContact O-CD2 3.5Å; L2757-F2762 PolarHBondContact O-N 3.09Å; L2757-F2762 VanDerWaalsContact O-N 3.13Å; L2758-F2762 HydrophobicContact CD2-CD2 4.08Å; L2758-F2762 HydrophobicContact CD2-CE2 4.41Å; F2762-L2764 VanDerWaalsContact C-N 3.26Å; F2762-L2764 HydrophobicContact CB-CD1 4.02Å; F2762-L2764 HydrophobicContact CB-CD2 4.23Å; F2762-L2764 HydrophobicContact CB-CG 4.05Å; F2762-L2764 HydrophobicContact CD2-CD1 4.25Å; F2762-L2764 PolarHBondContact O-N 3.36Å |
| 2763 | N | 76 | Confident | 76.6 | Confident | 82 Ų | 82 | 31.7 Ų | 31.7 | 44% | 0.439 | 16% | 0.163 | S | C | . | . | trans | 54 | 38.6 | -179.8 | -64.5 | -42.1 | 0 | 0 | 0 | 113.3 | T2635 L2758 L2759 D2760 P2765 | T2635-N2763 WeakPolarHBondContact CB-O 3.42Å; T2635-N2763 WeakPolarHBondContact CG2-O 3.37Å; L2758-N2763 PolarHBondContact O-N 3.3Å; L2759-N2763 WeakPolarHBondContact O-CA 3.39Å; L2759-N2763 PolarHBondContact O-N 3.04Å; L2759-N2763 VanDerWaalsContact O-N 3.14Å; L2759-N2763 PolarHBondContact O-OD1 2.89Å; D2760-N2763 PolarHBondContact O-OD1 3.34Å; N2763-P2765 WeakPolarHBondContact O-CD 3.17Å | ||
| 2764 | L | 79.1 | Confident | 76.2 | Confident | 7.66667 Ų | 7.66667 | 30.6 Ų | 30.6 | 4% | 0.04 | 16% | 0.155 | C | C | . | . | P | Polyproline II helix | trans | -68.7 | 129.4 | 178.3 | -65.7 | 174.9 | 0 | 0 | 0 | 110.3 | I2620 I2633 V2634 T2635 F2663 A2664 M2703 L2758 L2759 F2762 V2766 | I2620-L2764 HydrophobicContact CD1-CD1 3.86Å; I2620-L2764 HydrophobicContact CD1-CD2 4.12Å; I2620-L2764 HydrophobicContact CD1-CG 4.45Å; I2620-L2764 HydrophobicContact CG1-CD1 4.44Å; I2620-L2764 HydrophobicContact CG2-CD1 4.33Å; I2633-L2764 HydrophobicContact CB-CD2 4.36Å; I2633-L2764 HydrophobicContact CD1-CD2 4.37Å; I2633-L2764 HydrophobicContact CG2-CD2 4.02Å; V2634-L2764 HydrophobicContact CG2-CD2 4.48Å; T2635-L2764 HydrophobicContact CG2-CD2 4.31Å; F2663-L2764 HydrophobicContact CD2-CB 3.91Å; F2663-L2764 HydrophobicContact CD2-CD1 4.49Å; F2663-L2764 HydrophobicContact CE2-CB 3.64Å; F2663-L2764 HydrophobicContact CE2-CD1 3.51Å; F2663-L2764 HydrophobicContact CE2-CD2 4.24Å; F2663-L2764 HydrophobicContact CE2-CG 3.97Å; F2663-L2764 HydrophobicContact CZ-CB 4.48Å; F2663-L2764 HydrophobicContact CZ-CD1 3.57Å; A2664-L2764 HydrophobicContact CB-CB 4.41Å; M2703-L2764 HydrophobicContact CE-CD1 4.4Å; M2703-L2764 HydrophobicContact SD-CD1 4.08Å; L2758-L2764 HydrophobicContact CB-CD1 4.2Å; L2758-L2764 HydrophobicContact CD2-CD1 4.1Å; L2758-L2764 WeakPolarHBondContact O-CB 3.34Å; L2758-L2764 WeakPolarHBondContact O-CD1 3.39Å; L2758-L2764 VanDerWaalsContact O-CG 3.31Å; L2758-L2764 WeakPolarHBondContact O-CG 3.19Å; L2758-L2764 PolarHBondContact O-N 3.19Å; L2758-L2764 VanDerWaalsContact O-N 3.1Å; L2759-L2764 VanDerWaalsContact CD2-O 3.28Å; L2759-L2764 WeakPolarHBondContact CD2-O 3.28Å; F2762-L2764 VanDerWaalsContact C-N 3.26Å; F2762-L2764 HydrophobicContact CB-CD1 4.02Å; F2762-L2764 HydrophobicContact CB-CD2 4.23Å; F2762-L2764 HydrophobicContact CB-CG 4.05Å; F2762-L2764 HydrophobicContact CD2-CD1 4.25Å; F2762-L2764 PolarHBondContact O-N 3.36Å; L2764-V2766 PolarHBondContact O-N 3Å |
| 2765 | P | 74.7 | Confident | 75.7 | Confident | 14 Ų | 14 | 30.7 Ų | 30.7 | 9% | 0.091 | 16% | 0.156 | C | C | . | . | P | Polyproline II helix | trans | -69.4 | 131.7 | 179.5 | 27 | -33.2 | 0 | 0 | 0 | 111.1 | L2636 T2637 Y2661 F2663 A2664 N2763 V2770 | L2636-P2765 HydrophobicContact CD1-CB 3.98Å; L2636-P2765 HydrophobicContact CD1-CG 4.38Å; L2636-P2765 HydrophobicContact CG-CB 4.14Å; L2636-P2765 HydrophobicContact CG-CG 4.44Å; T2637-P2765 HydrophobicContact CG2-CG 4.39Å; Y2661-P2765 WeakPolarHBondContact O-CG 3.44Å; F2663-P2765 WeakPolarHBondContact CA-O 3.34Å; F2663-P2765 HydrophobicContact CD1-CB 3.89Å; F2663-P2765 HydrophobicContact CD1-CG 3.51Å; F2663-P2765 VanDerWaalsContact CD1-CG 3.5Å; F2663-P2765 HydrophobicContact CE1-CB 4.1Å; F2663-P2765 HydrophobicContact CE1-CG 3.73Å; F2663-P2765 HydrophobicContact CG-CG 4.4Å; F2663-P2765 PolarHBondContact N-O 3.42Å; A2664-P2765 PolarHBondContact N-O 3.3Å; N2763-P2765 WeakPolarHBondContact O-CD 3.17Å; P2765-V2770 HydrophobicContact CB-CG1 4.49Å |
| 2766 | V | 76.9 | Confident | 75.1 | Confident | 12.3333 Ų | 12.3333 | 29.4 Ų | 29.4 | 8% | 0.075 | 15% | 0.149 | C | C | . | . | B | Isolated β-bridge | trans | -92.2 | 117 | 172.8 | -174.9 | 0 | 0 | 0 | 0 | 108.9 | F2663 A2664 W2665 L2707 L2759 L2764 D2768 H2769 V2770 | F2663-V2766 CarbonylContact O-C 3.37Å; F2663-V2766 WeakPolarHBondContact O-CA 3.43Å; A2664-V2766 HydrophobicContact CB-CG2 4.3Å; A2664-V2766 CarbonylContact O-C 3.58Å; A2664-V2766 WeakPolarHBondContact O-CA 3.25Å; W2665-V2766 HydrophobicContact CB-CG1 3.92Å; W2665-V2766 HydrophobicContact CE3-CG1 4.48Å; L2707-V2766 HydrophobicContact CD1-CG1 3.99Å; L2707-V2766 HydrophobicContact CD1-CG2 3.99Å; L2759-V2766 HydrophobicContact CD1-CG2 4.22Å; L2759-V2766 HydrophobicContact CD2-CG2 3.52Å; L2759-V2766 HydrophobicContact CG-CG2 4.49Å; L2764-V2766 PolarHBondContact O-N 3Å; V2766-D2768 HydrophobicContact CG1-CB 4.32Å; V2766-D2768 PolarHBondContact O-N 3.18Å; V2766-D2768 VanDerWaalsContact O-N 3.13Å; V2766-H2769 HydrophobicContact CB-CB 4.49Å; V2766-H2769 PolarHBondContact O-N 3.16Å; V2766-H2769 VanDerWaalsContact O-N 3.11Å; V2766-V2770 WeakPolarHBondContact O-CG2 3.48Å; V2766-V2770 PolarHBondContact O-N 2.78Å |
| 2767 | I | 73.6 | Confident | 74.4 | Confident | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -51 | -41.3 | -176.8 | -99.7 | 157.5 | 0 | 0 | 0 | 112 | L2662 F2663 A2664 W2665 H2670 I2674 I2702 H2769 V2770 S2771 L2869 | L2662-I2767 HydrophobicContact CB-CD1 3.66Å; L2662-I2767 HydrophobicContact CB-CG1 3.57Å; L2662-I2767 HydrophobicContact CD1-CD1 4.45Å; L2662-I2767 HydrophobicContact CD1-CG1 4.16Å; L2662-I2767 HydrophobicContact CD2-CG1 3.88Å; L2662-I2767 HydrophobicContact CG-CG1 4.08Å; F2663-I2767 HydrophobicContact CB-CB 4.06Å; F2663-I2767 HydrophobicContact CB-CD1 3.24Å; F2663-I2767 HydrophobicContact CB-CG1 3.36Å; F2663-I2767 HydrophobicContact CD1-CB 4.47Å; F2663-I2767 HydrophobicContact CD1-CG1 3.74Å; F2663-I2767 HydrophobicContact CD2-CD1 4.4Å; F2663-I2767 HydrophobicContact CD2-CG1 4.25Å; F2663-I2767 HydrophobicContact CG-CB 4.42Å; F2663-I2767 HydrophobicContact CG-CD1 3.88Å; F2663-I2767 HydrophobicContact CG-CG1 3.54Å; F2663-I2767 WeakPolarHBondContact O-CB 3.11Å; F2663-I2767 VanDerWaalsContact O-CG1 3.3Å; F2663-I2767 WeakPolarHBondContact O-CG1 3.08Å; F2663-I2767 PolarHBondContact O-N 2.96Å; A2664-I2767 HydrophobicContact CB-CD1 3.94Å; A2664-I2767 PolarHBondContact O-N 3.04Å; W2665-I2767 HydrophobicContact CB-CD1 4.17Å; W2665-I2767 HydrophobicContact CB-CG2 3.56Å; H2670-I2767 HydrophobicContact CB-CD1 4.18Å; H2670-I2767 HydrophobicContact CB-CG1 4.14Å; H2670-I2767 HydrophobicContact CB-CG2 3.67Å; H2670-I2767 VanDerWaalsContact CB-CG2 3.44Å; I2674-I2767 HydrophobicContact CD1-CD1 3.42Å; I2674-I2767 HydrophobicContact CD1-CG1 4.21Å; I2674-I2767 HydrophobicContact CD1-CG2 4.19Å; I2674-I2767 HydrophobicContact CG1-CD1 3.54Å; I2702-I2767 HydrophobicContact CG2-CD1 3.64Å; I2767-H2769 PolarHBondContact O-N 3.19Å; I2767-H2769 VanDerWaalsContact O-N 3.16Å; I2767-V2770 PolarHBondContact O-N 3.16Å; I2767-V2770 VanDerWaalsContact O-N 3.12Å; I2767-S2771 WeakPolarHBondContact CG1-OG 3.31Å; I2767-S2771 VanDerWaalsContact CG2-OG 3.25Å; I2767-S2771 WeakPolarHBondContact CG2-OG 3.31Å; I2767-S2771 VanDerWaalsContact O-CB 3.27Å; I2767-S2771 WeakPolarHBondContact O-CB 3.2Å; I2767-S2771 PolarHBondContact O-N 3.18Å; I2767-S2771 PolarHBondContact O-OG 3.28Å; I2767-L2869 HydrophobicContact CD1-CD2 4Å; I2767-L2869 HydrophobicContact CG1-CD2 4.37Å |
| 2768 | D | 71.2 | Confident | 73.1 | Confident | 15 Ų | 15 | 37 Ų | 37 | 8% | 0.08 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -65.6 | -21.4 | -175.2 | -52.5 | -53.9 | 0 | 0 | 0 | 114.1 | W2665 S2666 K2667 H2670 V2766 | W2665-D2768 WeakPolarHBondContact CA-OD2 3.36Å; W2665-D2768 WeakPolarHBondContact CB-OD2 3.47Å; W2665-D2768 PolarHBondContact N-OD2 3.33Å; S2666-D2768 VanDerWaalsContact CA-OD2 3.26Å; S2666-D2768 WeakPolarHBondContact CA-OD2 3.19Å; S2666-D2768 VanDerWaalsContact CB-OD2 3.28Å; S2666-D2768 WeakPolarHBondContact CB-OD2 3.45Å; S2666-D2768 PolarHBondContact N-OD2 2.98Å; S2666-D2768 WeakPolarHBondContact OG-CB 3.37Å; S2666-D2768 VanDerWaalsContact OG-CG 3.25Å; S2666-D2768 PolarHBondContact OG-OD2 3.1Å; S2666-D2768 VanDerWaalsContact OG-OD2 3.09Å; K2667-D2768 WeakPolarHBondContact CB-OD1 3.3Å; K2667-D2768 HydrophobicContact CD-CB 4.19Å; K2667-D2768 HydrophobicContact CG-CB 4.07Å; K2667-D2768 VanDerWaalsContact CG-OD1 3.3Å; K2667-D2768 WeakPolarHBondContact CG-OD1 3.27Å; K2667-D2768 PolarHBondContact N-OD1 3.03Å; K2667-D2768 PolarHBondContact N-OD2 2.99Å; H2670-D2768 WeakPolarHBondContact CB-OD1 3.34Å; H2670-D2768 IonicContact CE1-OD1 3.23Å; H2670-D2768 PolarHBondContact CE1-OD1 3.06Å; H2670-D2768 IonicContact CG-OD1 3.72Å; H2670-D2768 IonicContact ND1-OD1 3.82Å; H2670-D2768 PolarHBondContact ND1-OD1 3.06Å; V2766-D2768 HydrophobicContact CG1-CB 4.32Å; V2766-D2768 PolarHBondContact O-N 3.18Å; V2766-D2768 VanDerWaalsContact O-N 3.13Å |
| 2769 | H | 70.4 | Confident | 71.3 | Confident | 142.667 Ų | 142.667 | 41.6 Ų | 41.6 | 66% | 0.66 | 21% | 0.208 | S | C | * | . | H | α-helix | trans | -93.5 | -22.6 | 177.2 | -64.5 | -46.5 | 0 | 0 | 0 | 112.6 | V2766 I2767 E2840 | V2766-H2769 HydrophobicContact CB-CB 4.49Å; V2766-H2769 PolarHBondContact O-N 3.16Å; V2766-H2769 VanDerWaalsContact O-N 3.11Å; I2767-H2769 PolarHBondContact O-N 3.19Å; I2767-H2769 VanDerWaalsContact O-N 3.16Å; H2769-E2840 IonicContact CE1-OE1 2.94Å; H2769-E2840 PolarHBondContact CE1-OE1 3.05Å; H2769-E2840 IonicContact NE2-OE1 2.67Å |
| 2770 | V | 67.5 | Low | 69.6 | Low | 20.3333 Ų | 20.3333 | 49.3 Ų | 49.3 | 12% | 0.123 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -103.5 | -10.2 | -175.9 | -88.1 | 0 | 0 | 0 | 0 | 112.5 | L2636 F2663 P2765 V2766 I2767 F2871 N2872 D2873 Y2877 | L2636-V2770 HydrophobicContact CD1-CG1 4.33Å; F2663-V2770 HydrophobicContact CE1-CG2 4.19Å; P2765-V2770 HydrophobicContact CB-CG1 4.49Å; V2766-V2770 WeakPolarHBondContact O-CG2 3.48Å; V2766-V2770 PolarHBondContact O-N 2.78Å; I2767-V2770 PolarHBondContact O-N 3.16Å; I2767-V2770 VanDerWaalsContact O-N 3.12Å; V2770-F2871 HydrophobicContact CG1-CD1 4.2Å; V2770-F2871 HydrophobicContact CG2-CD1 4.09Å; V2770-F2871 HydrophobicContact CG2-CE1 4.25Å; V2770-F2871 CarbonylContact O-C 3.49Å; V2770-F2871 VanDerWaalsContact O-CA 3.31Å; V2770-F2871 WeakPolarHBondContact O-CA 3.37Å; V2770-N2872 PolarHBondContact O-N 3.22Å; V2770-D2873 HydrophobicContact CG1-CB 4.15Å; V2770-Y2877 WeakPolarHBondContact CB-OH 3.34Å; V2770-Y2877 HydrophobicContact CG1-CD2 4.14Å; V2770-Y2877 HydrophobicContact CG1-CE2 3.62Å; V2770-Y2877 VanDerWaalsContact CG1-OH 3.27Å; V2770-Y2877 WeakPolarHBondContact CG1-OH 3.49Å |
| 2771 | S | 70.5 | Confident | 68 | Low | 5.66667 Ų | 5.66667 | 47.6 Ų | 47.6 | 4% | 0.04 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 152.1 | -174.2 | 68 | 0 | 0 | 0 | 0 | 114.3 | H2670 I2767 L2869 S2870 | H2670-S2771 PolarHBondContact CD2-OG 2.82Å; H2670-S2771 VanDerWaalsContact CD2-OG 3.28Å; I2767-S2771 WeakPolarHBondContact CG1-OG 3.31Å; I2767-S2771 VanDerWaalsContact CG2-OG 3.25Å; I2767-S2771 WeakPolarHBondContact CG2-OG 3.31Å; I2767-S2771 VanDerWaalsContact O-CB 3.27Å; I2767-S2771 WeakPolarHBondContact O-CB 3.2Å; I2767-S2771 PolarHBondContact O-N 3.18Å; I2767-S2771 PolarHBondContact O-OG 3.28Å; S2771-L2869 WeakPolarHBondContact OG-CD1 3.46Å; S2771-S2870 CarbonylContact C-O 3.54Å; S2771-S2870 WeakPolarHBondContact CA-O 3.33Å; S2771-S2870 WeakPolarHBondContact CB-O 3.29Å |
| 2772 | E | 70.4 | Confident | 66.3 | Low | 78 Ų | 78 | 54.3 Ų | 54.3 | 36% | 0.364 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 145.7 | 177.8 | -77 | -176.6 | -174.3 | 0 | 0 | 110.5 | F2774 S2870 N2872 | E2772-F2774 HydrophobicContact CB-CD2 4.32Å; E2772-F2774 HydrophobicContact CB-CE2 3.6Å; E2772-F2774 HydrophobicContact CB-CZ 4.5Å; E2772-F2774 WeakPolarHBondContact O-CD2 3.32Å; E2772-S2870 PolarHBondContact N-O 2.84Å; E2772-S2870 PolarHBondContact O-N 2.86Å; E2772-S2870 PolarHBondContact O-OG 2.66Å; E2772-N2872 WeakPolarHBondContact CG-ND2 3.34Å; E2772-N2872 PolarHBondContact OE1-ND2 2.76Å; E2772-N2872 PolarHBondContact OE2-ND2 2.92Å; E2772-N2872 VanDerWaalsContact OE2-ND2 3.11Å |
| 2773 | L | 73.4 | Confident | 64.6 | Low | 37.3333 Ų | 37.3333 | 59 Ų | 59 | 20% | 0.195 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 133.8 | 175.2 | -70.5 | 169 | 0 | 0 | 0 | 110.5 | I2669 H2670 L2673 I2867 A2868 L2869 L2897 | I2669-L2773 HydrophobicContact CG2-CD1 4.04Å; H2670-L2773 VanDerWaalsContact CD2-CD1 3.5Å; H2670-L2773 WeakPolarHBondContact CD2-CD1 3.26Å; H2670-L2773 VanDerWaalsContact CE1-CD1 3.48Å; H2670-L2773 WeakPolarHBondContact CE1-CD1 3.39Å; H2670-L2773 VanDerWaalsContact CE1-CG 3.49Å; H2670-L2773 WeakPolarHBondContact CE1-CG 3.27Å; H2670-L2773 WeakPolarHBondContact NE2-CD1 3.11Å; H2670-L2773 VanDerWaalsContact NE2-CG 3.31Å; H2670-L2773 WeakPolarHBondContact NE2-CG 3.28Å; L2673-L2773 HydrophobicContact CD1-CD2 3.72Å; L2773-I2867 HydrophobicContact CB-CG2 4.32Å; L2773-I2867 HydrophobicContact CD2-CG2 3.95Å; L2773-A2868 WeakPolarHBondContact CA-O 3.48Å; L2773-L2869 HydrophobicContact CD2-CB 4.41Å; L2773-L2869 HydrophobicContact CD2-CD1 3.72Å; L2773-L2869 HydrophobicContact CG-CD1 4.35Å; L2773-L2897 HydrophobicContact CB-CD2 3.97Å; L2773-L2897 HydrophobicContact CD1-CD2 4.11Å |
| 2774 | F | 72.8 | Confident | 63.2 | Low | 10.6667 Ų | 10.6667 | 58 Ų | 58 | 5% | 0.047 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 158.3 | 178.6 | 34.8 | -95.5 | 0 | 0 | 0 | 111.4 | E2772 K2776 Y2786 Y2787 I2788 N2789 I2867 A2868 S2870 | E2772-F2774 HydrophobicContact CB-CD2 4.32Å; E2772-F2774 HydrophobicContact CB-CE2 3.6Å; E2772-F2774 HydrophobicContact CB-CZ 4.5Å; E2772-F2774 WeakPolarHBondContact O-CD2 3.32Å; F2774-K2776 HydrophobicContact CE2-CB 4.21Å; F2774-Y2786 AromaticContact CD2-CD1 3.42Å; F2774-Y2786 HydrophobicContact CD2-CD1 3.42Å; F2774-Y2786 VanDerWaalsContact CD2-CD1 3.42Å; F2774-Y2786 HydrophobicContact CD2-CE1 4.13Å; F2774-Y2786 HydrophobicContact CD2-CG 4.17Å; F2774-Y2786 AromaticContact CE2-CD1 3.08Å; F2774-Y2786 HydrophobicContact CE2-CD1 3.08Å; F2774-Y2786 AromaticContact CE2-CE1 3.3Å; F2774-Y2786 HydrophobicContact CE2-CE1 3.3Å; F2774-Y2786 AromaticContact CE2-CG 3.95Å; F2774-Y2786 HydrophobicContact CE2-CG 4.12Å; F2774-Y2786 HydrophobicContact CG-CD1 4.43Å; F2774-Y2786 AromaticContact CZ-CD1 3.88Å; F2774-Y2786 HydrophobicContact CZ-CD1 3.88Å; F2774-Y2786 AromaticContact CZ-CE1 3.77Å; F2774-Y2786 HydrophobicContact CZ-CE1 3.77Å; F2774-Y2787 WeakPolarHBondContact CB-O 3.37Å; F2774-I2788 HydrophobicContact CB-CG1 4.13Å; F2774-I2788 WeakPolarHBondContact CD1-O 3.35Å; F2774-N2789 HydrophobicContact CD1-CB 4.13Å; F2774-N2789 VanDerWaalsContact CE1-CA 3.47Å; F2774-N2789 HydrophobicContact CE1-CB 3.43Å; F2774-N2789 VanDerWaalsContact CE1-CB 3.43Å; F2774-N2789 WeakPolarHBondContact CE1-ND2 3.48Å; F2774-N2789 HydrophobicContact CZ-CB 4.23Å; F2774-N2789 WeakPolarHBondContact CZ-ND2 3.16Å; F2774-I2867 CarbonylContact O-C 3.51Å; F2774-I2867 VanDerWaalsContact O-CA 3.31Å; F2774-I2867 WeakPolarHBondContact O-CA 3.32Å; F2774-A2868 WeakPolarHBondContact CD1-O 3.32Å; F2774-A2868 HydrophobicContact CD2-CB 4.15Å; F2774-A2868 HydrophobicContact CE1-CB 3.87Å; F2774-A2868 HydrophobicContact CE2-CB 3.43Å; F2774-A2868 VanDerWaalsContact CE2-CB 3.43Å; F2774-A2868 HydrophobicContact CZ-CB 3.3Å; F2774-A2868 PolarHBondContact N-O 3.17Å; F2774-A2868 PolarHBondContact O-N 2.84Å; F2774-S2870 WeakPolarHBondContact CD1-OG 3.44Å; F2774-S2870 VanDerWaalsContact CE1-CB 3.47Å |
| 2775 | I | 71.1 | Confident | 61.9 | Low | 3.33333 Ų | 3.33333 | 61.7 Ų | 61.7 | 2% | 0.017 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 124.6 | 173 | -60.3 | 172 | 0 | 0 | 0 | 108.3 | Y2787 I2788 M2800 L2865 Q2866 L2897 F2902 | I2775-Y2787 PolarHBondContact N-O 2.7Å; I2775-Y2787 PolarHBondContact O-N 3.06Å; I2775-Y2787 VanDerWaalsContact O-N 3.13Å; I2775-I2788 PolarHBondContact O-N 3.33Å; I2775-M2800 HydrophobicContact CD1-CE 3.92Å; I2775-L2865 HydrophobicContact CD1-CD1 4.27Å; I2775-L2865 HydrophobicContact CG1-CD1 4.35Å; I2775-L2865 HydrophobicContact CG2-CD1 3.88Å; I2775-Q2866 WeakPolarHBondContact CA-O 3.31Å; I2775-L2897 HydrophobicContact CD1-CD1 4.38Å; I2775-L2897 HydrophobicContact CG1-CD1 4.05Å; I2775-F2902 HydrophobicContact CD1-CB 4.23Å; I2775-F2902 HydrophobicContact CD1-CD1 3.74Å; I2775-F2902 HydrophobicContact CD1-CD2 3.42Å; I2775-F2902 VanDerWaalsContact CD1-CD2 3.42Å; I2775-F2902 HydrophobicContact CD1-CE1 3.91Å; I2775-F2902 HydrophobicContact CD1-CE2 3.56Å; I2775-F2902 HydrophobicContact CD1-CG 3.48Å; I2775-F2902 VanDerWaalsContact CD1-CG 3.48Å; I2775-F2902 HydrophobicContact CD1-CZ 3.79Å |
| 2776 | K | 68.3 | Low | 60.9 | Low | 40 Ų | 40 | 65.5 Ų | 65.5 | 17% | 0.174 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 131.9 | 177.5 | -176.6 | 172 | 176.7 | 166.6 | 0 | 110.1 | F2774 H2778 T2784 Y2787 Q2866 A2868 D2887 | F2774-K2776 HydrophobicContact CE2-CB 4.21Å; K2776-H2778 VanDerWaalsContact CE-CE1 3.43Å; K2776-H2778 WeakPolarHBondContact CE-CE1 3.3Å; K2776-H2778 WeakPolarHBondContact CE-NE2 3.31Å; K2776-T2784 HydrophobicContact CG-CG2 4.28Å; K2776-Y2787 HydrophobicContact CB-CD1 4.33Å; K2776-Y2787 HydrophobicContact CB-CE1 4.18Å; K2776-Y2787 HydrophobicContact CD-CE1 4.3Å; K2776-Y2787 HydrophobicContact CG-CE1 4.11Å; K2776-Q2866 HydrophobicContact CB-CB 4.08Å; K2776-Q2866 HydrophobicContact CD-CB 4.48Å; K2776-Q2866 PolarHBondContact N-O 2.96Å; K2776-A2868 HydrophobicContact CB-CB 4.34Å; K2776-D2887 HydrophobicContact CD-CB 4.44Å; K2776-D2887 WeakPolarHBondContact CE-OD2 3.25Å; K2776-D2887 VanDerWaalsContact NZ-CB 3.29Å; K2776-D2887 IonicContact NZ-OD2 3.26Å; K2776-D2887 PolarHBondContact NZ-OD2 3.38Å |
| 2777 | H | 63.2 | Low | 59.9 | Low | 30 Ų | 30 | 66.6 Ų | 66.6 | 14% | 0.139 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 126.9 | 177.9 | -177.3 | -81.5 | 0 | 0 | 0 | 111.2 | L2779 N2785 Y2786 I2788 F2799 | H2777-L2779 VanDerWaalsContact CE1-CD1 3.42Å; H2777-L2779 WeakPolarHBondContact CE1-CD1 3.28Å; H2777-L2779 PolarHBondContact CE1-N 3.31Å; H2777-L2779 PolarHBondContact ND1-N 3.09Å; H2777-L2779 PolarHBondContact O-N 3.43Å; H2777-L2779 VanDerWaalsContact O-N 3.13Å; H2777-N2785 HydrophobicContact CB-CB 4.3Å; H2777-N2785 WeakPolarHBondContact CB-O 3.38Å; H2777-N2785 PolarHBondContact N-O 3.04Å; H2777-Y2786 WeakPolarHBondContact CA-O 3.48Å; H2777-Y2786 VanDerWaalsContact CB-O 3.28Å; H2777-Y2786 WeakPolarHBondContact CB-O 3.47Å; H2777-Y2786 PolarHBondContact N-O 2.87Å; H2777-Y2786 PolarHBondContact O-N 2.84Å; H2777-I2788 HydrophobicContact CB-CD1 4.07Å; H2777-F2799 AromaticContact CD2-CD1 3.31Å; H2777-F2799 VanDerWaalsContact CD2-CD1 3.43Å; H2777-F2799 WeakPolarHBondContact CD2-CD1 3.36Å; H2777-F2799 AromaticContact CD2-CD2 3.82Å; H2777-F2799 AromaticContact CD2-CE1 3.6Å; H2777-F2799 VanDerWaalsContact CD2-CE1 3.41Å; H2777-F2799 WeakPolarHBondContact CD2-CE1 3.47Å; H2777-F2799 AromaticContact CD2-CE2 3.96Å; H2777-F2799 AromaticContact CD2-CG 3.51Å; H2777-F2799 VanDerWaalsContact CD2-CG 3.44Å; H2777-F2799 WeakPolarHBondContact CD2-CG 3.28Å; H2777-F2799 AromaticContact CD2-CZ 3.79Å; H2777-F2799 AromaticContact NE2-CD1 3.61Å; H2777-F2799 WeakPolarHBondContact NE2-CD1 3.39Å; H2777-F2799 AromaticContact NE2-CG 3.68Å |
| 2778 | H | 57.3 | Low | 59 | Low | 133.667 Ų | 133.667 | 69.6 Ų | 69.6 | 62% | 0.619 | 36% | 0.361 | S | S | * | . | trans | -90.2 | 87.6 | 172.1 | -129 | -24.6 | 0 | 0 | 0 | 109.9 | K2776 H2780 | K2776-H2778 VanDerWaalsContact CE-CE1 3.43Å; K2776-H2778 WeakPolarHBondContact CE-CE1 3.3Å; K2776-H2778 WeakPolarHBondContact CE-NE2 3.31Å; H2778-H2780 PolarHBondContact O-N 3Å | ||
| 2779 | L | 46.9 | Very low | 58.1 | Low | 95.3333 Ų | 95.3333 | 72 Ų | 72 | 50% | 0.499 | 37% | 0.374 | S | S | . | . | trans | -86.7 | 128.5 | 164.5 | -146.6 | 88 | 0 | 0 | 0 | 107.5 | H2777 G2781 | H2777-L2779 VanDerWaalsContact CE1-CD1 3.42Å; H2777-L2779 WeakPolarHBondContact CE1-CD1 3.28Å; H2777-L2779 PolarHBondContact CE1-N 3.31Å; H2777-L2779 PolarHBondContact ND1-N 3.09Å; H2777-L2779 PolarHBondContact O-N 3.43Å; H2777-L2779 VanDerWaalsContact O-N 3.13Å; L2779-G2781 VanDerWaalsContact C-N 3.26Å; L2779-G2781 PolarHBondContact O-N 3.24Å; L2779-G2781 VanDerWaalsContact O-N 3.11Å | ||
| 2780 | H | 42 | Very low | 57.1 | Low | 195.667 Ų | 195.667 | 67.1 Ų | 67.1 | 91% | 0.906 | 35% | 0.354 | S | S | * | . | S | Bend | trans | -65.6 | 94.4 | 175.5 | -146.1 | 71.5 | 0 | 0 | 0 | 109.3 | H2778 | H2778-H2780 PolarHBondContact O-N 3Š|
| 2781 | G | 43.9 | Very low | 56.2 | Low | 57.3333 Ų | 57.3333 | 72.5 Ų | 72.5 | 59% | 0.591 | 38% | 0.382 | S | S | * | . | S | Bend | trans | 148.1 | 122.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | L2779 T2783 | L2779-G2781 VanDerWaalsContact C-N 3.26Å; L2779-G2781 PolarHBondContact O-N 3.24Å; L2779-G2781 VanDerWaalsContact O-N 3.11Å; G2781-T2783 PolarHBondContact O-N 3.21Å |
| 2782 | N | 44.1 | Very low | 55.1 | Low | 149 Ų | 149 | 76.2 Ų | 76.2 | 80% | 0.797 | 41% | 0.405 | S | S | * | . | S | Bend | trans | -80.4 | 36.5 | -179.2 | -112.2 | 1.4 | 0 | 0 | 0 | 114.1 | T2784 | N2782-T2784 PolarHBondContact O-N 3.39Å; N2782-T2784 VanDerWaalsContact O-N 3.16Å |
| 2783 | T | 43.9 | Very low | 53.7 | Low | 109.333 Ų | 109.333 | 78.2 Ų | 78.2 | 67% | 0.671 | 43% | 0.428 | S | S | * | . | trans | -93.1 | 65 | 176.2 | 47.7 | 0 | 0 | 0 | 0 | 110.7 | G2781 N2785 | G2781-T2783 PolarHBondContact O-N 3.21Å; T2783-N2785 PolarHBondContact O-N 3.23Å | ||
| 2784 | T | 47.1 | Very low | 52.2 | Low | 60.6667 Ų | 60.6667 | 81.4 Ų | 81.4 | 37% | 0.372 | 44% | 0.44 | S | S | . | . | trans | -76 | 110.3 | 168.1 | 28.8 | 0 | 0 | 0 | 0 | 108.9 | K2776 N2782 Y2786 | K2776-T2784 HydrophobicContact CG-CG2 4.28Å; N2782-T2784 PolarHBondContact O-N 3.39Å; N2782-T2784 VanDerWaalsContact O-N 3.16Å; T2784-Y2786 VanDerWaalsContact CB-CZ 3.48Å; T2784-Y2786 HydrophobicContact CG2-CE1 4.23Å; T2784-Y2786 WeakPolarHBondContact O-CD2 3.39Å; T2784-Y2786 VanDerWaalsContact OG1-CE2 3.23Å; T2784-Y2786 WeakPolarHBondContact OG1-CE2 3.44Å; T2784-Y2786 PolarHBondContact OG1-OH 3.34Å | ||
| 2785 | N | 50 | Low | 50.8 | Low | 84.3333 Ų | 84.3333 | 90.1 Ų | 90.1 | 45% | 0.451 | 48% | 0.478 | S | S | . | . | trans | -75.5 | 134.7 | 166.9 | -73.5 | -16.9 | 0 | 0 | 0 | 108.6 | H2777 T2783 Y2787 D2887 | H2777-N2785 HydrophobicContact CB-CB 4.3Å; H2777-N2785 WeakPolarHBondContact CB-O 3.38Å; H2777-N2785 PolarHBondContact N-O 3.04Å; T2783-N2785 PolarHBondContact O-N 3.23Å; N2785-Y2787 HydrophobicContact CB-CE2 4.13Å; N2785-D2887 PolarHBondContact ND2-OD2 3.35Å | ||
| 2786 | Y | 55.3 | Low | 49.6 | Very low | 94 Ų | 94 | 94.7 Ų | 94.7 | 37% | 0.369 | 51% | 0.507 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 137.7 | 177 | -62.3 | -75.2 | 0 | 0 | 0 | 109.1 | F2774 H2777 T2784 I2788 D2887 | F2774-Y2786 AromaticContact CD2-CD1 3.42Å; F2774-Y2786 HydrophobicContact CD2-CD1 3.42Å; F2774-Y2786 VanDerWaalsContact CD2-CD1 3.42Å; F2774-Y2786 HydrophobicContact CD2-CE1 4.13Å; F2774-Y2786 HydrophobicContact CD2-CG 4.17Å; F2774-Y2786 AromaticContact CE2-CD1 3.08Å; F2774-Y2786 HydrophobicContact CE2-CD1 3.08Å; F2774-Y2786 AromaticContact CE2-CE1 3.3Å; F2774-Y2786 HydrophobicContact CE2-CE1 3.3Å; F2774-Y2786 AromaticContact CE2-CG 3.95Å; F2774-Y2786 HydrophobicContact CE2-CG 4.12Å; F2774-Y2786 HydrophobicContact CG-CD1 4.43Å; F2774-Y2786 AromaticContact CZ-CD1 3.88Å; F2774-Y2786 HydrophobicContact CZ-CD1 3.88Å; F2774-Y2786 AromaticContact CZ-CE1 3.77Å; F2774-Y2786 HydrophobicContact CZ-CE1 3.77Å; H2777-Y2786 WeakPolarHBondContact CA-O 3.48Å; H2777-Y2786 VanDerWaalsContact CB-O 3.28Å; H2777-Y2786 WeakPolarHBondContact CB-O 3.47Å; H2777-Y2786 PolarHBondContact N-O 2.87Å; H2777-Y2786 PolarHBondContact O-N 2.84Å; T2784-Y2786 VanDerWaalsContact CB-CZ 3.48Å; T2784-Y2786 HydrophobicContact CG2-CE1 4.23Å; T2784-Y2786 WeakPolarHBondContact O-CD2 3.39Å; T2784-Y2786 VanDerWaalsContact OG1-CE2 3.23Å; T2784-Y2786 WeakPolarHBondContact OG1-CE2 3.44Å; T2784-Y2786 PolarHBondContact OG1-OH 3.34Å; Y2786-I2788 HydrophobicContact CG-CD1 4.37Å; Y2786-I2788 PolarHBondContact O-N 3.07Å; Y2786-D2887 WeakPolarHBondContact CE1-OD2 3.49Å; Y2786-D2887 PolarHBondContact OH-OD1 3.35Å; Y2786-D2887 PolarHBondContact OH-OD2 3.31Å |
| 2787 | Y | 55.3 | Low | 48.8 | Very low | 37 Ų | 37 | 97.4 Ų | 97.4 | 15% | 0.145 | 52% | 0.523 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 108.6 | 170.5 | -143.2 | -91.3 | 0 | 0 | 0 | 108.5 | F2774 I2775 K2776 N2785 P2790 F2794 T2796 M2800 A2868 H2885 D2887 K2900 F2902 | F2774-Y2787 WeakPolarHBondContact CB-O 3.37Å; I2775-Y2787 PolarHBondContact N-O 2.7Å; I2775-Y2787 PolarHBondContact O-N 3.06Å; I2775-Y2787 VanDerWaalsContact O-N 3.13Å; K2776-Y2787 HydrophobicContact CB-CD1 4.33Å; K2776-Y2787 HydrophobicContact CB-CE1 4.18Å; K2776-Y2787 HydrophobicContact CD-CE1 4.3Å; K2776-Y2787 HydrophobicContact CG-CE1 4.11Å; N2785-Y2787 HydrophobicContact CB-CE2 4.13Å; Y2787-P2790 WeakPolarHBondContact OH-CA 3.06Å; Y2787-P2790 VanDerWaalsContact OH-CB 3.32Å; Y2787-P2790 WeakPolarHBondContact OH-CB 3.41Å; Y2787-F2794 AromaticContact CE2-CE1 3.9Å; Y2787-F2794 HydrophobicContact CE2-CE1 3.9Å; Y2787-F2794 AromaticContact CZ-CE1 3.99Å; Y2787-F2794 WeakPolarHBondContact OH-CE1 3.32Å; Y2787-F2794 WeakPolarHBondContact OH-CZ 3.47Å; Y2787-T2796 HydrophobicContact CD2-CG2 4.44Å; Y2787-M2800 HydrophobicContact CG-CE 4.48Å; Y2787-A2868 HydrophobicContact CD1-CB 3.82Å; Y2787-A2868 HydrophobicContact CE1-CB 3.57Å; Y2787-H2885 HydrophobicContact CD2-CB 4.43Å; Y2787-H2885 AromaticContact CD2-CD2 3.39Å; Y2787-H2885 WeakPolarHBondContact CD2-CD2 3.42Å; Y2787-H2885 AromaticContact CD2-CG 3.8Å; Y2787-H2885 AromaticContact CD2-NE2 3.7Å; Y2787-H2885 HydrophobicContact CE1-CB 4.14Å; Y2787-H2885 HydrophobicContact CE2-CB 3.99Å; Y2787-H2885 AromaticContact CE2-CD2 3.53Å; Y2787-H2885 AromaticContact CE2-CG 3.82Å; Y2787-D2887 WeakPolarHBondContact CE1-OD1 2.96Å; Y2787-D2887 VanDerWaalsContact CZ-OD1 3.24Å; Y2787-D2887 PolarHBondContact OH-OD1 3.46Å; Y2787-D2887 PolarHBondContact OH-OD2 3.24Å; Y2787-K2900 PolarHBondContact OH-NZ 3.03Å; Y2787-F2902 HydrophobicContact CE1-CZ 4.24Å |
| 2788 | I | 54.4 | Low | 48.5 | Very low | 62 Ų | 62 | 101.6 Ų | 101.6 | 32% | 0.318 | 56% | 0.555 | S | S | . | * | trans | -111.5 | 98.5 | -178.5 | -58.9 | 167.6 | 0 | 0 | 0 | 108.4 | F2774 I2775 H2777 Y2786 P2790 F2794 F2799 | F2774-I2788 HydrophobicContact CB-CG1 4.13Å; F2774-I2788 WeakPolarHBondContact CD1-O 3.35Å; I2775-I2788 PolarHBondContact O-N 3.33Å; H2777-I2788 HydrophobicContact CB-CD1 4.07Å; Y2786-I2788 HydrophobicContact CG-CD1 4.37Å; Y2786-I2788 PolarHBondContact O-N 3.07Å; I2788-P2790 WeakPolarHBondContact O-CD 3.16Å; I2788-F2794 HydrophobicContact CG2-CE1 3.96Å; I2788-F2794 HydrophobicContact CG2-CZ 3.88Å; I2788-F2799 HydrophobicContact CD1-CE1 3.33Å; I2788-F2799 HydrophobicContact CD1-CZ 3.42Å; I2788-F2799 VanDerWaalsContact CD1-CZ 3.42Å | ||
| 2789 | N | 52 | Low | 48.8 | Very low | 66.3333 Ų | 66.3333 | 96.8 Ų | 96.8 | 36% | 0.355 | 53% | 0.533 | S | S | . | . | trans | -145.5 | 125.5 | 173.8 | -157.1 | -32.8 | 0 | 0 | 0 | 113.5 | F2774 N2791 T2792 | F2774-N2789 HydrophobicContact CD1-CB 4.13Å; F2774-N2789 VanDerWaalsContact CE1-CA 3.47Å; F2774-N2789 HydrophobicContact CE1-CB 3.43Å; F2774-N2789 VanDerWaalsContact CE1-CB 3.43Å; F2774-N2789 WeakPolarHBondContact CE1-ND2 3.48Å; F2774-N2789 HydrophobicContact CZ-CB 4.23Å; F2774-N2789 WeakPolarHBondContact CZ-ND2 3.16Å; N2789-N2791 PolarHBondContact O-N 2.93Å; N2789-N2791 VanDerWaalsContact O-N 3.17Å; N2789-N2791 WeakPolarHBondContact OD1-CB 3.43Å; N2789-N2791 VanDerWaalsContact OD1-CG 3.27Å; N2789-N2791 PolarHBondContact OD1-N 3.04Å; N2789-N2791 VanDerWaalsContact OD1-N 3.11Å; N2789-N2791 PolarHBondContact OD1-ND2 2.95Å; N2789-T2792 HydrophobicContact CB-CG2 4.39Å; N2789-T2792 PolarHBondContact O-N 3.34Å; N2789-T2792 VanDerWaalsContact O-N 3.16Å; N2789-T2792 PolarHBondContact O-OG1 3.17Å | ||
| 2790 | P | 49.8 | Very low | 50 | Low | 38.6667 Ų | 38.6667 | 93.2 Ų | 93.2 | 25% | 0.251 | 51% | 0.514 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -16.6 | 177.7 | 10.3 | -14.1 | 0 | 0 | 0 | 115.2 | Y2787 I2788 T2792 F2794 L2897 N2898 K2900 | Y2787-P2790 WeakPolarHBondContact OH-CA 3.06Å; Y2787-P2790 VanDerWaalsContact OH-CB 3.32Å; Y2787-P2790 WeakPolarHBondContact OH-CB 3.41Å; I2788-P2790 WeakPolarHBondContact O-CD 3.16Å; P2790-T2792 PolarHBondContact O-N 3.44Å; P2790-F2794 WeakPolarHBondContact O-CE2 3.36Å; P2790-L2897 HydrophobicContact CG-CB 4.27Å; P2790-N2898 HydrophobicContact CB-CB 4.08Å; P2790-K2900 PolarHBondContact O-NZ 3.09Å; P2790-K2900 VanDerWaalsContact O-NZ 3.08Å |
| 2791 | N | 49.1 | Very low | 51.7 | Low | 133.333 Ų | 133.333 | 89 Ų | 89 | 71% | 0.713 | 50% | 0.497 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.2 | -13.5 | -176.3 | -67.1 | -8.3 | 0 | 0 | 0 | 113.8 | N2789 S2793 N2898 | N2789-N2791 PolarHBondContact O-N 2.93Å; N2789-N2791 VanDerWaalsContact O-N 3.17Å; N2789-N2791 WeakPolarHBondContact OD1-CB 3.43Å; N2789-N2791 VanDerWaalsContact OD1-CG 3.27Å; N2789-N2791 PolarHBondContact OD1-N 3.04Å; N2789-N2791 VanDerWaalsContact OD1-N 3.11Å; N2789-N2791 PolarHBondContact OD1-ND2 2.95Å; N2791-S2793 PolarHBondContact O-N 3.12Å; N2791-N2898 PolarHBondContact OD1-ND2 3.2Å |
| 2792 | T | 46.1 | Very low | 53.6 | Low | 83.3333 Ų | 83.3333 | 89.8 Ų | 89.8 | 51% | 0.511 | 49% | 0.492 | S | S | . | . | S | Bend | trans | -83.2 | 123 | 176.4 | 53.2 | 0 | 0 | 0 | 0 | 109.4 | N2789 P2790 F2794 | N2789-T2792 HydrophobicContact CB-CG2 4.39Å; N2789-T2792 PolarHBondContact O-N 3.34Å; N2789-T2792 VanDerWaalsContact O-N 3.16Å; N2789-T2792 PolarHBondContact O-OG1 3.17Å; P2790-T2792 PolarHBondContact O-N 3.44Å; T2792-F2794 VanDerWaalsContact O-CD2 3.31Å; T2792-F2794 WeakPolarHBondContact O-CD2 3.44Å; T2792-F2794 PolarHBondContact O-N 3.29Å; T2792-F2794 VanDerWaalsContact O-N 3.07Å |
| 2793 | S | 42.3 | Very low | 55.4 | Low | 120.667 Ų | 120.667 | 83.1 Ų | 83.1 | 84% | 0.844 | 46% | 0.457 | S | S | * | . | trans | -58.5 | 95.7 | -178 | 58 | 0 | 0 | 0 | 0 | 111.7 | N2791 K2795 | N2791-S2793 PolarHBondContact O-N 3.12Å; S2793-K2795 PolarHBondContact O-N 3.13Å; S2793-K2795 VanDerWaalsContact O-N 3.15Å | ||
| 2794 | F | 42.4 | Very low | 57.3 | Low | 105 Ų | 105 | 84 Ų | 84 | 46% | 0.461 | 45% | 0.447 | S | S | . | . | trans | -70.4 | 118.7 | 177.5 | -76.3 | -89.3 | 0 | 0 | 0 | 111.1 | Y2787 I2788 P2790 T2792 T2796 M2800 K2900 | Y2787-F2794 AromaticContact CE2-CE1 3.9Å; Y2787-F2794 HydrophobicContact CE2-CE1 3.9Å; Y2787-F2794 AromaticContact CZ-CE1 3.99Å; Y2787-F2794 WeakPolarHBondContact OH-CE1 3.32Å; Y2787-F2794 WeakPolarHBondContact OH-CZ 3.47Å; I2788-F2794 HydrophobicContact CG2-CE1 3.96Å; I2788-F2794 HydrophobicContact CG2-CZ 3.88Å; P2790-F2794 WeakPolarHBondContact O-CE2 3.36Å; T2792-F2794 VanDerWaalsContact O-CD2 3.31Å; T2792-F2794 WeakPolarHBondContact O-CD2 3.44Å; T2792-F2794 PolarHBondContact O-N 3.29Å; T2792-F2794 VanDerWaalsContact O-N 3.07Å; F2794-T2796 HydrophobicContact CB-CG2 3.86Å; F2794-T2796 PolarHBondContact O-N 2.65Å; F2794-T2796 PolarHBondContact O-OG1 3.19Å; F2794-M2800 HydrophobicContact CD1-SD 4.43Å; F2794-M2800 HydrophobicContact CE1-SD 3.69Å; F2794-M2800 HydrophobicContact CZ-SD 4.27Å; F2794-K2900 VanDerWaalsContact CD2-NZ 3.33Å; F2794-K2900 VanDerWaalsContact CE2-NZ 3.32Å | ||
| 2795 | K | 43 | Very low | 59.1 | Low | 192.333 Ų | 192.333 | 81.8 Ų | 81.8 | 84% | 0.836 | 43% | 0.434 | S | S | * | . | trans | -79.4 | 84.7 | 157.8 | -80 | -179.9 | 174.3 | 176.7 | 0 | 108 | S2793 D2797 | S2793-K2795 PolarHBondContact O-N 3.13Å; S2793-K2795 VanDerWaalsContact O-N 3.15Å; K2795-D2797 PolarHBondContact O-N 2.83Å | ||
| 2796 | T | 46.1 | Very low | 60.7 | Low | 100.667 Ų | 100.667 | 77.8 Ų | 77.8 | 62% | 0.618 | 41% | 0.413 | S | S | * | . | trans | -27.8 | 53.8 | 171.5 | 51.7 | 0 | 0 | 0 | 0 | 113.3 | Y2787 F2794 S2798 F2799 | Y2787-T2796 HydrophobicContact CD2-CG2 4.44Å; F2794-T2796 HydrophobicContact CB-CG2 3.86Å; F2794-T2796 PolarHBondContact O-N 2.65Å; F2794-T2796 PolarHBondContact O-OG1 3.19Å; T2796-S2798 PolarHBondContact O-N 3.1Å; T2796-F2799 HydrophobicContact CG2-CE1 3.89Å; T2796-F2799 WeakPolarHBondContact O-CD1 3.08Å; T2796-F2799 PolarHBondContact O-N 3.03Å | ||
| 2797 | D | 49.9 | Very low | 62.2 | Low | 96.6667 Ų | 96.6667 | 73.5 Ų | 73.5 | 52% | 0.517 | 40% | 0.396 | S | S | . | . | trans | -64.3 | 95.7 | 175.7 | -75 | -28.7 | 0 | 0 | 0 | 109.8 | K2795 F2799 M2800 | K2795-D2797 PolarHBondContact O-N 2.83Å; D2797-F2799 HydrophobicContact CB-CD1 3.56Å; D2797-F2799 HydrophobicContact CB-CE1 3.44Å; D2797-F2799 VanDerWaalsContact CB-CE1 3.44Å; D2797-F2799 PolarHBondContact O-N 2.86Å; D2797-M2800 PolarHBondContact O-N 3.35Å; D2797-M2800 VanDerWaalsContact O-N 3.16Å | ||
| 2798 | S | 57.2 | Low | 63.5 | Low | 117.333 Ų | 117.333 | 73.4 Ų | 73.4 | 82% | 0.821 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.2 | -14.3 | -172.1 | 64.5 | 0 | 0 | 0 | 0 | 114.8 | T2796 | T2796-S2798 PolarHBondContact O-N 3.1Š|
| 2799 | F | 63.6 | Low | 65.1 | Low | 34.3333 Ų | 34.3333 | 70.6 Ų | 70.6 | 15% | 0.151 | 38% | 0.383 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96 | -18.9 | -176.4 | 80.1 | -89.6 | 0 | 0 | 0 | 113.9 | H2777 I2788 T2796 D2797 V2862 | H2777-F2799 AromaticContact CD2-CD1 3.31Å; H2777-F2799 VanDerWaalsContact CD2-CD1 3.43Å; H2777-F2799 WeakPolarHBondContact CD2-CD1 3.36Å; H2777-F2799 AromaticContact CD2-CD2 3.82Å; H2777-F2799 AromaticContact CD2-CE1 3.6Å; H2777-F2799 VanDerWaalsContact CD2-CE1 3.41Å; H2777-F2799 WeakPolarHBondContact CD2-CE1 3.47Å; H2777-F2799 AromaticContact CD2-CE2 3.96Å; H2777-F2799 AromaticContact CD2-CG 3.51Å; H2777-F2799 VanDerWaalsContact CD2-CG 3.44Å; H2777-F2799 WeakPolarHBondContact CD2-CG 3.28Å; H2777-F2799 AromaticContact CD2-CZ 3.79Å; H2777-F2799 AromaticContact NE2-CD1 3.61Å; H2777-F2799 WeakPolarHBondContact NE2-CD1 3.39Å; H2777-F2799 AromaticContact NE2-CG 3.68Å; I2788-F2799 HydrophobicContact CD1-CE1 3.33Å; I2788-F2799 HydrophobicContact CD1-CZ 3.42Å; I2788-F2799 VanDerWaalsContact CD1-CZ 3.42Å; T2796-F2799 HydrophobicContact CG2-CE1 3.89Å; T2796-F2799 WeakPolarHBondContact O-CD1 3.08Å; T2796-F2799 PolarHBondContact O-N 3.03Å; D2797-F2799 HydrophobicContact CB-CD1 3.56Å; D2797-F2799 HydrophobicContact CB-CE1 3.44Å; D2797-F2799 VanDerWaalsContact CB-CE1 3.44Å; D2797-F2799 PolarHBondContact O-N 2.86Å; F2799-V2862 HydrophobicContact CD2-CG1 4.08Å; F2799-V2862 HydrophobicContact CE2-CG1 4.13Å; F2799-V2862 HydrophobicContact CE2-CG2 4.48Å |
| 2800 | M | 73.3 | Confident | 66.7 | Low | 19.3333 Ų | 19.3333 | 67.4 Ų | 67.4 | 10% | 0.095 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 111.3 | 178.9 | -60 | -170.4 | 132.5 | 0 | 0 | 109.6 | I2775 Y2787 F2794 D2797 P2802 F2860 L2861 V2862 F2902 | I2775-M2800 HydrophobicContact CD1-CE 3.92Å; Y2787-M2800 HydrophobicContact CG-CE 4.48Å; F2794-M2800 HydrophobicContact CD1-SD 4.43Å; F2794-M2800 HydrophobicContact CE1-SD 3.69Å; F2794-M2800 HydrophobicContact CZ-SD 4.27Å; D2797-M2800 PolarHBondContact O-N 3.35Å; D2797-M2800 VanDerWaalsContact O-N 3.16Å; M2800-P2802 VanDerWaalsContact O-CD 3.25Å; M2800-P2802 WeakPolarHBondContact O-CD 3.42Å; M2800-F2860 HydrophobicContact CB-CB 4.17Å; M2800-F2860 HydrophobicContact CB-CD1 3.98Å; M2800-F2860 HydrophobicContact CB-CG 4.32Å; M2800-L2861 WeakPolarHBondContact CA-O 3.11Å; M2800-V2862 HydrophobicContact CE-CG2 3.72Å; M2800-V2862 HydrophobicContact CG-CG2 4.28Å; M2800-F2902 HydrophobicContact CE-CD1 3.27Å; M2800-F2902 HydrophobicContact CE-CE1 3.03Å; M2800-F2902 HydrophobicContact CE-CG 4.36Å; M2800-F2902 HydrophobicContact CE-CZ 3.97Å; M2800-F2902 HydrophobicContact SD-CD1 4.46Å; M2800-F2902 HydrophobicContact SD-CE1 3.95Å |
| 2801 | I | 78 | Confident | 68.4 | Low | 107.5 Ų | 107.5 | 66.4 Ų | 66.4 | 55% | 0.551 | 36% | 0.358 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 112.3 | 177.8 | -56.8 | 172.6 | 0 | 0 | 0 | 108 | C2803 F2860 L2861 | I2801-C2803 PolarHBondContact O-N 3.16Å; I2801-F2860 CarbonylContact O-C 3.55Å; I2801-F2860 WeakPolarHBondContact O-CA 3.1Å; I2801-L2861 HydrophobicContact CB-CB 4.18Å; I2801-L2861 PolarHBondContact N-O 2.89Å; I2801-L2861 PolarHBondContact O-N 3.18Å |
| 2802 | P | 81.9 | Confident | 70 | Confident | 74.5 Ų | 74.5 | 60.1 Ų | 60.1 | 48% | 0.484 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.4 | 127.2 | 175.9 | 1.7 | -0.5 | 0 | 0 | 0 | 110.3 | M2800 I2857 F2860 | M2800-P2802 VanDerWaalsContact O-CD 3.25Å; M2800-P2802 WeakPolarHBondContact O-CD 3.42Å; P2802-I2857 HydrophobicContact CB-CB 4.28Å; P2802-I2857 HydrophobicContact CB-CD1 4.2Å; P2802-I2857 HydrophobicContact CB-CG2 3.92Å; P2802-F2860 HydrophobicContact CB-CD1 4.2Å; P2802-F2860 HydrophobicContact CB-CE1 4.13Å; P2802-F2860 HydrophobicContact CG-CD1 4.11Å; P2802-F2860 HydrophobicContact CG-CE1 4Å |
| 2803 | C | 83.6 | Confident | 71.9 | Confident | 8.5 Ų | 8.5 | 56.1 Ų | 56.1 | 6% | 0.057 | 30% | 0.299 | C | S | . | . | trans | -119.2 | 104.3 | -173.1 | -173.4 | 0 | 0 | 0 | 0 | 111 | I2801 T2805 L2806 D2807 A2859 L2861 F2912 | I2801-C2803 PolarHBondContact O-N 3.16Å; C2803-T2805 PolarHBondContact O-N 3.44Å; C2803-T2805 PolarHBondContact SG-OG1 3.18Å; C2803-T2805 VanDerWaalsContact SG-OG1 3.38Å; C2803-L2806 HydrophobicContact CB-CB 3.86Å; C2803-L2806 HydrophobicContact CB-CD2 4.48Å; C2803-L2806 PolarHBondContact O-N 3.06Å; C2803-L2806 VanDerWaalsContact SG-CB 3.53Å; C2803-D2807 PolarHBondContact O-N 3.03Å; C2803-A2859 PolarHBondContact N-O 3.2Å; C2803-L2861 HydrophobicContact CB-CD1 4.2Å; C2803-L2861 HydrophobicContact CB-CG 4.01Å; C2803-F2912 VanDerWaalsContact SG-CE2 3.58Å | ||
| 2804 | R | 83.1 | Confident | 73.9 | Confident | 126.5 Ų | 126.5 | 50.5 Ų | 50.5 | 48% | 0.477 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -68.5 | -36.4 | -175.9 | -173 | 111.9 | 176 | 174.3 | -7.3 | 113.7 | L2806 D2807 M2808 I2857 P2920 | R2804-L2806 VanDerWaalsContact C-N 3.33Å; R2804-D2807 IonicContact CZ-OD2 2.65Å; R2804-D2807 IonicContact NH1-OD2 3.4Å; R2804-D2807 PolarHBondContact NH1-OD2 3.21Å; R2804-D2807 WeakPolarHBondContact O-CB 3.5Å; R2804-D2807 PolarHBondContact O-N 3.19Å; R2804-M2808 WeakPolarHBondContact O-CG 3.41Å; R2804-M2808 PolarHBondContact O-N 3.3Å; R2804-M2808 VanDerWaalsContact O-N 3.09Å; R2804-I2857 HydrophobicContact CB-CD1 4.33Å; R2804-P2920 HydrophobicContact CG-CB 4.48Å |
| 2805 | T | 84.1 | Confident | 75.9 | Confident | 14.5 Ų | 14.5 | 47.6 Ų | 47.6 | 9% | 0.089 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -67.2 | -38.5 | 178 | 52.6 | 0 | 0 | 0 | 0 | 111.3 | C2803 M2808 F2809 P2920 Y2928 | C2803-T2805 PolarHBondContact O-N 3.44Å; C2803-T2805 PolarHBondContact SG-OG1 3.18Å; C2803-T2805 VanDerWaalsContact SG-OG1 3.38Å; T2805-M2808 PolarHBondContact O-N 3.23Å; T2805-F2809 PolarHBondContact O-N 3.03Å; T2805-F2809 VanDerWaalsContact O-N 3.11Å; T2805-P2920 HydrophobicContact CG2-CG 4.23Å; T2805-Y2928 HydrophobicContact CG2-CE1 3.86Å |
| 2806 | L | 84.4 | Confident | 77.8 | Confident | 1 Ų | 1 | 38.4 Ų | 38.4 | 1% | 0.005 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -68.7 | -35.4 | 174.2 | -170.3 | 65.8 | 0 | 0 | 0 | 112.3 | C2803 R2804 M2808 F2809 L2810 A2859 L2901 L2903 L2915 | C2803-L2806 HydrophobicContact CB-CB 3.86Å; C2803-L2806 HydrophobicContact CB-CD2 4.48Å; C2803-L2806 PolarHBondContact O-N 3.06Å; C2803-L2806 VanDerWaalsContact SG-CB 3.53Å; R2804-L2806 VanDerWaalsContact C-N 3.33Å; L2806-M2808 VanDerWaalsContact C-N 3.32Å; L2806-M2808 PolarHBondContact O-N 2.91Å; L2806-F2809 HydrophobicContact CD1-CD1 4.13Å; L2806-F2809 WeakPolarHBondContact O-CB 3.2Å; L2806-F2809 PolarHBondContact O-N 3.06Å; L2806-L2810 PolarHBondContact O-N 2.87Å; L2806-A2859 HydrophobicContact CB-CB 3.86Å; L2806-A2859 HydrophobicContact CD2-CB 3.92Å; L2806-A2859 HydrophobicContact CG-CB 3.77Å; L2806-L2901 HydrophobicContact CD1-CD2 3.9Å; L2806-L2901 HydrophobicContact CD2-CD2 4.23Å; L2806-L2901 HydrophobicContact CD2-CG 4.42Å; L2806-L2901 HydrophobicContact CG-CD2 3.83Å; L2806-L2903 HydrophobicContact CD1-CD2 4.23Å; L2806-L2903 HydrophobicContact CD2-CB 3.62Å; L2806-L2903 HydrophobicContact CD2-CD2 4.19Å; L2806-L2903 HydrophobicContact CD2-CG 4.49Å; L2806-L2915 HydrophobicContact CD1-CD1 3.87Å |
| 2807 | D | 85.8 | Confident | 79.5 | Confident | 3.5 Ų | 3.5 | 33.7 Ų | 33.7 | 2% | 0.019 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -63.5 | -38.6 | 173.9 | -176.2 | 69.4 | 0 | 0 | 0 | 111.8 | C2803 R2804 L2810 K2811 I2857 N2858 A2859 | C2803-D2807 PolarHBondContact O-N 3.03Å; R2804-D2807 IonicContact CZ-OD2 2.65Å; R2804-D2807 IonicContact NH1-OD2 3.4Å; R2804-D2807 PolarHBondContact NH1-OD2 3.21Å; R2804-D2807 WeakPolarHBondContact O-CB 3.5Å; R2804-D2807 PolarHBondContact O-N 3.19Å; D2807-L2810 PolarHBondContact O-N 3.29Å; D2807-K2811 WeakPolarHBondContact O-CB 3.45Å; D2807-K2811 WeakPolarHBondContact O-CG 3.43Å; D2807-K2811 PolarHBondContact O-N 3.32Å; D2807-K2811 IonicContact OD1-NZ 3.51Å; D2807-K2811 PolarHBondContact OD1-NZ 3.41Å; D2807-K2811 WeakPolarHBondContact OD2-CE 3.28Å; D2807-K2811 IonicContact OD2-NZ 2.75Å; D2807-K2811 PolarHBondContact OD2-NZ 2.84Å; D2807-I2857 HydrophobicContact CB-CG2 4.11Å; D2807-N2858 PolarHBondContact OD1-N 3.48Å; D2807-A2859 HydrophobicContact CB-CB 3.91Å; D2807-A2859 VanDerWaalsContact N-CB 3.31Å |
| 2808 | M | 83.8 | Confident | 80.9 | Confident | 35 Ų | 35 | 29.8 Ų | 29.8 | 17% | 0.172 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -66.6 | -39.1 | 174.3 | -69.6 | -66.8 | -74 | 0 | 0 | 112.4 | R2804 T2805 L2806 G2812 Q2925 Y2928 | R2804-M2808 WeakPolarHBondContact O-CG 3.41Å; R2804-M2808 PolarHBondContact O-N 3.3Å; R2804-M2808 VanDerWaalsContact O-N 3.09Å; T2805-M2808 PolarHBondContact O-N 3.23Å; L2806-M2808 VanDerWaalsContact C-N 3.32Å; L2806-M2808 PolarHBondContact O-N 2.91Å; M2808-G2812 PolarHBondContact O-N 3.01Å; M2808-Q2925 HydrophobicContact CE-CG 3.6Å; M2808-Q2925 HydrophobicContact SD-CG 4.33Å; M2808-Y2928 HydrophobicContact CB-CD1 4.47Å; M2808-Y2928 HydrophobicContact CB-CD2 3.54Å; M2808-Y2928 HydrophobicContact CB-CE2 3.97Å; M2808-Y2928 HydrophobicContact CB-CG 3.85Å; M2808-Y2928 HydrophobicContact CE-CD2 4.34Å; M2808-Y2928 HydrophobicContact CE-CE2 4.26Å; M2808-Y2928 HydrophobicContact CG-CD2 4.25Å; M2808-Y2928 HydrophobicContact CG-CE2 4.2Å |
| 2809 | F | 87 | Confident | 81.8 | Confident | 3 Ų | 3 | 24.3 Ų | 24.3 | 1% | 0.013 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -58.7 | -51.4 | 171.1 | 164.5 | -92.7 | 0 | 0 | 0 | 111.2 | T2805 L2806 K2811 G2812 L2813 L2901 L2915 L2929 L2952 I2956 | T2805-F2809 PolarHBondContact O-N 3.03Å; T2805-F2809 VanDerWaalsContact O-N 3.11Å; L2806-F2809 HydrophobicContact CD1-CD1 4.13Å; L2806-F2809 WeakPolarHBondContact O-CB 3.2Å; L2806-F2809 PolarHBondContact O-N 3.06Å; F2809-K2811 PolarHBondContact O-N 3.07Å; F2809-G2812 PolarHBondContact O-N 3Å; F2809-L2813 HydrophobicContact CE1-CD1 4.28Å; F2809-L2813 HydrophobicContact CE2-CD1 4.48Å; F2809-L2813 HydrophobicContact CZ-CD1 3.86Å; F2809-L2813 HydrophobicContact CZ-CD2 4.34Å; F2809-L2813 WeakPolarHBondContact O-CB 3.42Å; F2809-L2813 PolarHBondContact O-N 2.83Å; F2809-L2901 HydrophobicContact CD1-CD2 4.19Å; F2809-L2901 HydrophobicContact CE1-CD2 4.37Å; F2809-L2915 HydrophobicContact CB-CD1 4.31Å; F2809-L2915 HydrophobicContact CB-CD2 4.18Å; F2809-L2929 HydrophobicContact CD2-CD1 4.39Å; F2809-L2929 HydrophobicContact CE2-CD1 4.08Å; F2809-L2952 HydrophobicContact CE1-CD2 3.72Å; F2809-L2952 HydrophobicContact CE1-CG 4.48Å; F2809-L2952 HydrophobicContact CZ-CD2 4.07Å; F2809-I2956 HydrophobicContact CE1-CD1 4Å; F2809-I2956 HydrophobicContact CZ-CD1 4.48Å |
| 2810 | L | 86 | Confident | 82.6 | Confident | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -58.1 | -49.5 | 179.4 | 177.6 | 66.3 | 0 | 0 | 0 | 111.3 | L2806 D2807 G2812 L2813 V2814 I2851 N2858 L2896 L2901 | L2806-L2810 PolarHBondContact O-N 2.87Å; D2807-L2810 PolarHBondContact O-N 3.29Å; L2810-G2812 VanDerWaalsContact C-N 3.31Å; L2810-G2812 PolarHBondContact O-N 3.28Å; L2810-L2813 PolarHBondContact O-N 3Å; L2810-V2814 HydrophobicContact CD1-CG2 3.88Å; L2810-V2814 HydrophobicContact CG-CG2 4.2Å; L2810-V2814 WeakPolarHBondContact O-CB 3.45Å; L2810-V2814 VanDerWaalsContact O-CG2 3.24Å; L2810-V2814 WeakPolarHBondContact O-CG2 3.28Å; L2810-V2814 PolarHBondContact O-N 3.27Å; L2810-I2851 HydrophobicContact CD2-CG2 4.04Å; L2810-I2851 HydrophobicContact CG-CG2 4.28Å; L2810-N2858 HydrophobicContact CD2-CB 4.41Å; L2810-L2896 HydrophobicContact CD1-CD1 4.08Å; L2810-L2896 HydrophobicContact CD1-CD2 4.4Å; L2810-L2896 HydrophobicContact CD2-CD1 4.44Å; L2810-L2901 HydrophobicContact CB-CD2 4.04Å; L2810-L2901 HydrophobicContact CD1-CB 4.27Å; L2810-L2901 HydrophobicContact CD1-CD2 4.22Å; L2810-L2901 HydrophobicContact CD2-CB 3.84Å; L2810-L2901 HydrophobicContact CG-CB 4.47Å |
| 2811 | K | 85 | Confident | 82.6 | Confident | 18 Ų | 18 | 24.3 Ų | 24.3 | 8% | 0.078 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -61.4 | -39.2 | 179.8 | -76.2 | 171.2 | 175.3 | 161.7 | 0 | 112.2 | D2807 F2809 R2815 I2851 S2854 | D2807-K2811 WeakPolarHBondContact O-CB 3.45Å; D2807-K2811 WeakPolarHBondContact O-CG 3.43Å; D2807-K2811 PolarHBondContact O-N 3.32Å; D2807-K2811 IonicContact OD1-NZ 3.51Å; D2807-K2811 PolarHBondContact OD1-NZ 3.41Å; D2807-K2811 WeakPolarHBondContact OD2-CE 3.28Å; D2807-K2811 IonicContact OD2-NZ 2.75Å; D2807-K2811 PolarHBondContact OD2-NZ 2.84Å; F2809-K2811 PolarHBondContact O-N 3.07Å; K2811-R2815 WeakPolarHBondContact O-CB 3.43Å; K2811-R2815 WeakPolarHBondContact O-CG 3.4Å; K2811-R2815 PolarHBondContact O-N 3.08Å; K2811-R2815 VanDerWaalsContact O-N 3.13Å; K2811-I2851 WeakPolarHBondContact CE-O 3.38Å; K2811-S2854 PolarHBondContact NZ-O 2.96Å; K2811-S2854 VanDerWaalsContact NZ-O 3.1Å |
| 2812 | G | 82.9 | Confident | 82.1 | Confident | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -62.8 | -45.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | M2808 F2809 L2810 R2815 L2816 | M2808-G2812 PolarHBondContact O-N 3.01Å; F2809-G2812 PolarHBondContact O-N 3Å; L2810-G2812 VanDerWaalsContact C-N 3.31Å; L2810-G2812 PolarHBondContact O-N 3.28Å; G2812-R2815 PolarHBondContact O-N 2.9Å; G2812-L2816 PolarHBondContact O-N 2.99Å |
| 2813 | L | 86.8 | Confident | 81.3 | Confident | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -65.5 | -47.2 | 178.2 | -175.9 | 99.5 | 0 | 0 | 0 | 111.9 | F2809 L2810 R2815 L2816 I2817 L2929 L2953 I2956 I2975 | F2809-L2813 HydrophobicContact CE1-CD1 4.28Å; F2809-L2813 HydrophobicContact CE2-CD1 4.48Å; F2809-L2813 HydrophobicContact CZ-CD1 3.86Å; F2809-L2813 HydrophobicContact CZ-CD2 4.34Å; F2809-L2813 WeakPolarHBondContact O-CB 3.42Å; F2809-L2813 PolarHBondContact O-N 2.83Å; L2810-L2813 PolarHBondContact O-N 3Å; L2813-R2815 VanDerWaalsContact C-N 3.29Å; L2813-R2815 PolarHBondContact O-N 3.29Å; L2813-L2816 WeakPolarHBondContact O-CB 3.32Å; L2813-L2816 PolarHBondContact O-N 3.34Å; L2813-I2817 HydrophobicContact CD1-CD1 4.32Å; L2813-I2817 HydrophobicContact CD2-CD1 3.55Å; L2813-I2817 HydrophobicContact CD2-CG1 4.4Å; L2813-I2817 HydrophobicContact CG-CD1 4.21Å; L2813-I2817 WeakPolarHBondContact O-CG1 3.21Å; L2813-I2817 PolarHBondContact O-N 2.93Å; L2813-L2929 HydrophobicContact CB-CD1 3.78Å; L2813-L2929 HydrophobicContact CD1-CD1 3.96Å; L2813-L2929 HydrophobicContact CG-CD1 4.34Å; L2813-L2953 HydrophobicContact CD1-CD1 3.5Å; L2813-L2953 VanDerWaalsContact CD1-CD1 3.43Å; L2813-L2953 HydrophobicContact CD2-CD1 3.53Å; L2813-L2953 HydrophobicContact CG-CD1 4.31Å; L2813-I2956 HydrophobicContact CD1-CD1 4.37Å; L2813-I2956 HydrophobicContact CD2-CB 4.26Å; L2813-I2956 HydrophobicContact CD2-CD1 3.94Å; L2813-I2956 HydrophobicContact CD2-CG1 4.39Å; L2813-I2956 HydrophobicContact CD2-CG2 3.59Å; L2813-I2956 HydrophobicContact CG-CG2 4.47Å; L2813-I2975 HydrophobicContact CD1-CD1 4.38Å; L2813-I2975 HydrophobicContact CD1-CG2 4.33Å |
| 2814 | V | 84.8 | Confident | 79.8 | Confident | 3 Ų | 3 | 22.1 Ų | 22.1 | 2% | 0.018 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -61.3 | -37 | 179.5 | 173.9 | 0 | 0 | 0 | 0 | 111.5 | L2810 L2816 I2817 L2818 V2848 I2851 L2852 | L2810-V2814 HydrophobicContact CD1-CG2 3.88Å; L2810-V2814 HydrophobicContact CG-CG2 4.2Å; L2810-V2814 WeakPolarHBondContact O-CB 3.45Å; L2810-V2814 VanDerWaalsContact O-CG2 3.24Å; L2810-V2814 WeakPolarHBondContact O-CG2 3.28Å; L2810-V2814 PolarHBondContact O-N 3.27Å; V2814-L2816 VanDerWaalsContact C-N 3.34Å; V2814-L2816 PolarHBondContact O-N 2.87Å; V2814-I2817 PolarHBondContact O-N 3.1Å; V2814-L2818 WeakPolarHBondContact O-CB 3.33Å; V2814-L2818 PolarHBondContact O-N 3.03Å; V2814-V2848 HydrophobicContact CG1-CG1 3.64Å; V2814-I2851 HydrophobicContact CG2-CD1 4.48Å; V2814-I2851 HydrophobicContact CG2-CG2 4.34Å; V2814-L2852 HydrophobicContact CG1-CD1 4.03Å; V2814-L2852 HydrophobicContact CG1-CD2 4.41Å; V2814-L2852 HydrophobicContact CG1-CG 3.97Å |
| 2815 | R | 83 | Confident | 78.2 | Confident | 44 Ų | 44 | 20.8 Ų | 20.8 | 17% | 0.166 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -61 | -42.5 | 171.1 | -87 | 170.6 | -171.3 | -81.3 | -2.8 | 113.1 | K2811 G2812 L2813 I2817 L2818 L2819 L2852 Q2925 E3023 L3026 L3027 | K2811-R2815 WeakPolarHBondContact O-CB 3.43Å; K2811-R2815 WeakPolarHBondContact O-CG 3.4Å; K2811-R2815 PolarHBondContact O-N 3.08Å; K2811-R2815 VanDerWaalsContact O-N 3.13Å; G2812-R2815 PolarHBondContact O-N 2.9Å; L2813-R2815 VanDerWaalsContact C-N 3.29Å; L2813-R2815 PolarHBondContact O-N 3.29Å; R2815-I2817 VanDerWaalsContact C-N 3.29Å; R2815-I2817 PolarHBondContact O-N 2.87Å; R2815-L2818 PolarHBondContact O-N 2.96Å; R2815-L2819 PolarHBondContact O-N 3.14Å; R2815-L2852 HydrophobicContact CB-CD2 4.47Å; R2815-L2852 HydrophobicContact CG-CD1 4.4Å; R2815-L2852 HydrophobicContact CG-CD2 3.46Å; R2815-Q2925 VanDerWaalsContact CD-OE1 3.3Å; R2815-Q2925 VanDerWaalsContact NE-OE1 3.17Å; R2815-E3023 IonicContact NH1-OE2 2.84Å; R2815-E3023 PolarHBondContact NH1-OE2 3.18Å; R2815-L3026 VanDerWaalsContact NH1-CB 3.28Å; R2815-L3027 HydrophobicContact CB-CD2 3.93Å |
| 2816 | L | 82.9 | Confident | 76.1 | Confident | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -63.9 | -38.6 | 178.1 | -176 | 63.8 | 0 | 0 | 0 | 111.1 | G2812 L2813 V2814 L2819 W2820 L2929 F2974 I2975 F2978 L3010 | G2812-L2816 PolarHBondContact O-N 2.99Å; L2813-L2816 WeakPolarHBondContact O-CB 3.32Å; L2813-L2816 PolarHBondContact O-N 3.34Å; V2814-L2816 VanDerWaalsContact C-N 3.34Å; V2814-L2816 PolarHBondContact O-N 2.87Å; L2816-L2819 WeakPolarHBondContact O-CB 3.4Å; L2816-L2819 PolarHBondContact O-N 2.96Å; L2816-W2820 PolarHBondContact O-N 3.06Å; L2816-L2929 HydrophobicContact CD2-CD2 4.15Å; L2816-F2974 HydrophobicContact CD1-CE1 3.64Å; L2816-F2974 HydrophobicContact CD1-CZ 4.01Å; L2816-F2974 HydrophobicContact CG-CD1 4.49Å; L2816-F2974 HydrophobicContact CG-CE1 3.84Å; L2816-I2975 HydrophobicContact CD2-CG1 4.29Å; L2816-I2975 HydrophobicContact CD2-CG2 4.34Å; L2816-F2978 HydrophobicContact CD1-CB 4.47Å; L2816-F2978 HydrophobicContact CD1-CD1 3.81Å; L2816-F2978 HydrophobicContact CD1-CD2 3.92Å; L2816-F2978 HydrophobicContact CD1-CE1 3.95Å; L2816-F2978 HydrophobicContact CD1-CE2 4.05Å; L2816-F2978 HydrophobicContact CD1-CG 3.8Å; L2816-F2978 HydrophobicContact CD1-CZ 4.07Å; L2816-F2978 HydrophobicContact CD2-CB 4.32Å; L2816-F2978 HydrophobicContact CD2-CD1 3.62Å; L2816-F2978 HydrophobicContact CD2-CE1 4.18Å; L2816-F2978 HydrophobicContact CD2-CG 4.07Å; L2816-F2978 HydrophobicContact CG-CD1 4.39Å; L2816-L3010 HydrophobicContact CD1-CD2 4.45Å |
| 2817 | I | 81.6 | Confident | 73.7 | Confident | 2 Ų | 2 | 28.5 Ų | 28.5 | 1% | 0.01 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -67.2 | -41.9 | 176.1 | -63.5 | 179.8 | 0 | 0 | 0 | 111.1 | L2813 V2814 R2815 L2819 W2820 W2821 I2956 I2960 L2971 I2975 | L2813-I2817 HydrophobicContact CD1-CD1 4.32Å; L2813-I2817 HydrophobicContact CD2-CD1 3.55Å; L2813-I2817 HydrophobicContact CD2-CG1 4.4Å; L2813-I2817 HydrophobicContact CG-CD1 4.21Å; L2813-I2817 WeakPolarHBondContact O-CG1 3.21Å; L2813-I2817 PolarHBondContact O-N 2.93Å; V2814-I2817 PolarHBondContact O-N 3.1Å; R2815-I2817 VanDerWaalsContact C-N 3.29Å; R2815-I2817 PolarHBondContact O-N 2.87Å; I2817-L2819 VanDerWaalsContact C-N 3.31Å; I2817-L2819 PolarHBondContact O-N 3.39Å; I2817-W2820 WeakPolarHBondContact O-CB 3.3Å; I2817-W2820 PolarHBondContact O-N 3.1Å; I2817-W2821 PolarHBondContact O-N 3.19Å; I2817-I2956 HydrophobicContact CD1-CG2 4.45Å; I2817-I2960 HydrophobicContact CD1-CD1 3.19Å; I2817-I2960 HydrophobicContact CG1-CD1 4.39Å; I2817-I2960 HydrophobicContact CG2-CD1 4.3Å; I2817-I2960 HydrophobicContact CG2-CG2 3.93Å; I2817-L2971 HydrophobicContact CG1-CD1 4.17Å; I2817-L2971 HydrophobicContact CG2-CD1 4.31Å; I2817-L2971 HydrophobicContact CG2-CD2 4.35Å; I2817-I2975 HydrophobicContact CD1-CD1 4.28Å; I2817-I2975 HydrophobicContact CG1-CD1 4.04Å |
| 2818 | L | 79.5 | Confident | 71 | Confident | 14.5 Ų | 14.5 | 32.5 Ų | 32.5 | 8% | 0.076 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -60.8 | -38.1 | 175.1 | -168.2 | 81.9 | 0 | 0 | 0 | 111.5 | V2814 R2815 W2821 Y2822 V2848 L2852 | V2814-L2818 WeakPolarHBondContact O-CB 3.33Å; V2814-L2818 PolarHBondContact O-N 3.03Å; R2815-L2818 PolarHBondContact O-N 2.96Å; L2818-W2821 PolarHBondContact O-N 3.23Å; L2818-Y2822 HydrophobicContact CD1-CE2 4.03Å; L2818-Y2822 HydrophobicContact CD2-CD2 4.41Å; L2818-Y2822 HydrophobicContact CD2-CE2 3.59Å; L2818-Y2822 HydrophobicContact CG-CD2 3.99Å; L2818-Y2822 HydrophobicContact CG-CE2 3.44Å; L2818-Y2822 VanDerWaalsContact CG-CE2 3.44Å; L2818-Y2822 WeakPolarHBondContact O-CD2 3.48Å; L2818-Y2822 PolarHBondContact O-N 2.95Å; L2818-V2848 HydrophobicContact CB-CG1 4.45Å; L2818-V2848 HydrophobicContact CD1-CG1 3.69Å; L2818-L2852 HydrophobicContact CD2-CD1 4.1Å |
| 2819 | L | 77.3 | Confident | 68.2 | Low | 1.5 Ų | 1.5 | 35.4 Ų | 35.4 | 1% | 0.008 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -63.1 | -45.3 | 174 | -86.2 | 170.9 | 0 | 0 | 0 | 112.9 | R2815 L2816 I2817 W2821 Y2822 S2823 L3010 V3015 E3023 | R2815-L2819 PolarHBondContact O-N 3.14Å; L2816-L2819 WeakPolarHBondContact O-CB 3.4Å; L2816-L2819 PolarHBondContact O-N 2.96Å; I2817-L2819 VanDerWaalsContact C-N 3.31Å; I2817-L2819 PolarHBondContact O-N 3.39Å; L2819-W2821 VanDerWaalsContact C-N 3.29Å; L2819-W2821 PolarHBondContact O-N 3.16Å; L2819-Y2822 PolarHBondContact O-N 3.34Å; L2819-S2823 PolarHBondContact O-N 3.29Å; L2819-L3010 HydrophobicContact CD1-CD1 4.05Å; L2819-L3010 HydrophobicContact CD1-CD2 4.28Å; L2819-V3015 HydrophobicContact CD2-CG1 3.81Å; L2819-E3023 HydrophobicContact CD1-CB 3.74Å; L2819-E3023 HydrophobicContact CD1-CG 4.3Å; L2819-E3023 HydrophobicContact CD2-CB 3.81Å; L2819-E3023 HydrophobicContact CD2-CG 3.57Å; L2819-E3023 HydrophobicContact CG-CB 3.99Å; L2819-E3023 HydrophobicContact CG-CG 3.98Å |
| 2820 | W | 79.2 | Confident | 65.3 | Low | 9.5 Ų | 9.5 | 41.8 Ų | 41.8 | 4% | 0.036 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -59.9 | -41.6 | 174.3 | 173.7 | 80.8 | 0 | 0 | 0 | 111.5 | L2816 I2817 Y2822 S2823 T2824 H2826 I2843 K2967 S2970 L2971 F2974 | L2816-W2820 PolarHBondContact O-N 3.06Å; I2817-W2820 WeakPolarHBondContact O-CB 3.3Å; I2817-W2820 PolarHBondContact O-N 3.1Å; W2820-Y2822 PolarHBondContact O-N 3.43Å; W2820-S2823 WeakPolarHBondContact O-CB 3.2Å; W2820-S2823 PolarHBondContact O-N 2.93Å; W2820-S2823 PolarHBondContact O-OG 2.75Å; W2820-T2824 HydrophobicContact CD2-CG2 4.36Å; W2820-T2824 HydrophobicContact CH2-CG2 4.43Å; W2820-T2824 HydrophobicContact CZ2-CG2 3.91Å; W2820-T2824 PolarHBondContact O-N 2.55Å; W2820-T2824 PolarHBondContact O-OG1 3.04Å; W2820-H2826 AromaticContact CE2-NE2 3.75Å; W2820-H2826 AromaticContact CH2-NE2 3.57Å; W2820-H2826 AromaticContact CZ2-NE2 3.29Å; W2820-H2826 VanDerWaalsContact CZ2-NE2 3.29Å; W2820-H2826 WeakPolarHBondContact CZ2-NE2 3.02Å; W2820-I2843 HydrophobicContact CZ3-CD1 4.31Å; W2820-K2967 HydrophobicContact CH2-CB 4.08Å; W2820-K2967 HydrophobicContact CH2-CG 4.36Å; W2820-K2967 WeakPolarHBondContact CH2-O 3.37Å; W2820-K2967 WeakPolarHBondContact CZ2-O 3.39Å; W2820-S2970 WeakPolarHBondContact CZ2-OG 2.88Å; W2820-S2970 PolarHBondContact NE1-OG 2.9Å; W2820-L2971 HydrophobicContact CB-CD1 4.11Å; W2820-L2971 HydrophobicContact CD2-CB 4.14Å; W2820-L2971 HydrophobicContact CD2-CD1 3.59Å; W2820-L2971 HydrophobicContact CD2-CG 4.43Å; W2820-L2971 HydrophobicContact CE3-CB 4.27Å; W2820-L2971 HydrophobicContact CE3-CD1 3.65Å; W2820-L2971 HydrophobicContact CE3-CD2 4.48Å; W2820-L2971 HydrophobicContact CE3-CG 4.36Å; W2820-L2971 HydrophobicContact CG-CD1 3.8Å; W2820-L2971 HydrophobicContact CH2-CB 3.93Å; W2820-L2971 HydrophobicContact CZ2-CB 3.81Å; W2820-L2971 HydrophobicContact CZ3-CB 4.15Å; W2820-L2971 HydrophobicContact CZ3-CD1 4.25Å; W2820-L2971 HydrophobicContact CZ3-CD2 4.38Å; W2820-L2971 HydrophobicContact CZ3-CG 4.43Å; W2820-F2974 HydrophobicContact CB-CD1 3.61Å; W2820-F2974 HydrophobicContact CB-CE1 3.58Å; W2820-F2974 HydrophobicContact CB-CG 4.2Å; W2820-F2974 HydrophobicContact CB-CZ 4.14Å; W2820-F2974 AromaticContact CD1-CD1 3.74Å; W2820-F2974 AromaticContact CD1-CD2 3.94Å; W2820-F2974 AromaticContact CD1-CG 3.46Å; W2820-F2974 VanDerWaalsContact CD1-CG 3.46Å; W2820-F2974 HydrophobicContact CG-CB 4.42Å; W2820-F2974 AromaticContact CG-CD1 3.93Å; W2820-F2974 HydrophobicContact CG-CD1 3.93Å; W2820-F2974 HydrophobicContact CG-CE1 4.36Å; W2820-F2974 HydrophobicContact CG-CG 4.11Å |
| 2821 | W | 73.8 | Confident | 62.3 | Low | 44.5 Ų | 44.5 | 48.6 Ų | 48.6 | 17% | 0.169 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -63.6 | -43.6 | 177.1 | -173.2 | -53.3 | 0 | 0 | 0 | 112.2 | I2817 L2818 L2819 S2823 T2824 I2825 I2843 E2845 | I2817-W2821 PolarHBondContact O-N 3.19Å; L2818-W2821 PolarHBondContact O-N 3.23Å; L2819-W2821 VanDerWaalsContact C-N 3.29Å; L2819-W2821 PolarHBondContact O-N 3.16Å; W2821-S2823 PolarHBondContact O-N 3.21Å; W2821-T2824 PolarHBondContact O-N 2.99Å; W2821-T2824 PolarHBondContact O-OG1 3.43Å; W2821-I2825 HydrophobicContact CG-CD1 4.48Å; W2821-I2825 HydrophobicContact CZ2-CD1 4.49Å; W2821-I2825 PolarHBondContact O-N 2.65Å; W2821-I2843 HydrophobicContact CD2-CB 4.31Å; W2821-I2843 HydrophobicContact CD2-CD1 4.09Å; W2821-I2843 HydrophobicContact CD2-CG1 4.32Å; W2821-I2843 HydrophobicContact CE3-CB 4.03Å; W2821-I2843 HydrophobicContact CE3-CD1 3.5Å; W2821-I2843 HydrophobicContact CE3-CG1 4.08Å; W2821-I2843 HydrophobicContact CE3-CG2 4.11Å; W2821-I2843 HydrophobicContact CH2-CB 3.8Å; W2821-I2843 HydrophobicContact CH2-CD1 4.07Å; W2821-I2843 HydrophobicContact CH2-CG1 3.63Å; W2821-I2843 HydrophobicContact CH2-CG2 4.45Å; W2821-I2843 WeakPolarHBondContact CH2-O 3.02Å; W2821-I2843 HydrophobicContact CZ2-CB 3.94Å; W2821-I2843 HydrophobicContact CZ2-CG1 4.29Å; W2821-I2843 HydrophobicContact CZ3-CB 3.63Å; W2821-I2843 HydrophobicContact CZ3-CD1 3.77Å; W2821-I2843 HydrophobicContact CZ3-CG1 3.83Å; W2821-I2843 HydrophobicContact CZ3-CG2 3.61Å; W2821-I2843 WeakPolarHBondContact CZ3-O 2.91Å; W2821-E2845 HydrophobicContact CH2-CB 4.24Å; W2821-E2845 HydrophobicContact CZ3-CB 4.4Å |
| 2822 | Y | 68.1 | Low | 59.5 | Low | 76.5 Ų | 76.5 | 54.3 Ų | 54.3 | 30% | 0.3 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -66.5 | -10.6 | 176.6 | -72 | -51.1 | 0 | 0 | 0 | 114.5 | L2818 L2819 W2820 H2826 | L2818-Y2822 HydrophobicContact CD1-CE2 4.03Å; L2818-Y2822 HydrophobicContact CD2-CD2 4.41Å; L2818-Y2822 HydrophobicContact CD2-CE2 3.59Å; L2818-Y2822 HydrophobicContact CG-CD2 3.99Å; L2818-Y2822 HydrophobicContact CG-CE2 3.44Å; L2818-Y2822 VanDerWaalsContact CG-CE2 3.44Å; L2818-Y2822 WeakPolarHBondContact O-CD2 3.48Å; L2818-Y2822 PolarHBondContact O-N 2.95Å; L2819-Y2822 PolarHBondContact O-N 3.34Å; W2820-Y2822 PolarHBondContact O-N 3.43Å; Y2822-H2826 PolarHBondContact O-CD2 3.31Å; Y2822-H2826 VanDerWaalsContact O-CD2 3.27Å |
| 2823 | S | 64.8 | Low | 56.7 | Low | 6.5 Ų | 6.5 | 60.3 Ų | 60.3 | 5% | 0.045 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -72.4 | -121 | 172.2 | 69.5 | 0 | 0 | 0 | 0 | 112.6 | L2819 W2820 W2821 I2825 H2826 S2827 H3013 | L2819-S2823 PolarHBondContact O-N 3.29Å; W2820-S2823 WeakPolarHBondContact O-CB 3.2Å; W2820-S2823 PolarHBondContact O-N 2.93Å; W2820-S2823 PolarHBondContact O-OG 2.75Å; W2821-S2823 PolarHBondContact O-N 3.21Å; S2823-I2825 PolarHBondContact O-N 2.83Å; S2823-H2826 PolarHBondContact O-N 3.39Å; S2823-H2826 VanDerWaalsContact O-N 3.14Å; S2823-S2827 PolarHBondContact O-OG 3.19Å; S2823-H3013 WeakPolarHBondContact CB-O 3.28Å; S2823-H3013 PolarHBondContact OG-O 2.85Å; S2823-H3013 VanDerWaalsContact OG-O 3.13Å |
| 2824 | T | 52.1 | Low | 53.7 | Low | 60.5 Ų | 60.5 | 69.1 Ų | 69.1 | 37% | 0.371 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -68 | -24.4 | 179 | 43.6 | 0 | 0 | 0 | 0 | 114 | W2820 W2821 H2826 S2827 S2828 | W2820-T2824 HydrophobicContact CD2-CG2 4.36Å; W2820-T2824 HydrophobicContact CH2-CG2 4.43Å; W2820-T2824 HydrophobicContact CZ2-CG2 3.91Å; W2820-T2824 PolarHBondContact O-N 2.55Å; W2820-T2824 PolarHBondContact O-OG1 3.04Å; W2821-T2824 PolarHBondContact O-N 2.99Å; W2821-T2824 PolarHBondContact O-OG1 3.43Å; T2824-H2826 PolarHBondContact O-N 2.92Å; T2824-S2827 WeakPolarHBondContact CA-OG 3.42Å; T2824-S2827 PolarHBondContact O-N 2.84Å; T2824-S2827 PolarHBondContact O-OG 3.44Å; T2824-S2827 VanDerWaalsContact O-OG 3.11Å; T2824-S2828 PolarHBondContact O-N 3.18Å; T2824-S2828 PolarHBondContact O-OG 3.23Å |
| 2825 | I | 48.5 | Very low | 50.8 | Low | 99.5 Ų | 99.5 | 75.1 Ų | 75.1 | 51% | 0.51 | 41% | 0.406 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -30.1 | 176.1 | -63.6 | 172.9 | 0 | 0 | 0 | 111.3 | W2821 S2823 | W2821-I2825 HydrophobicContact CG-CD1 4.48Å; W2821-I2825 HydrophobicContact CZ2-CD1 4.49Å; W2821-I2825 PolarHBondContact O-N 2.65Å; S2823-I2825 PolarHBondContact O-N 2.83Å |
| 2826 | H | 41.3 | Very low | 48 | Very low | 94.5 Ų | 94.5 | 78.4 Ų | 78.4 | 44% | 0.438 | 43% | 0.434 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.6 | -8.2 | -179.2 | -67.9 | -53.1 | 0 | 0 | 0 | 114.6 | W2820 Y2822 S2823 T2824 S2828 | W2820-H2826 AromaticContact CE2-NE2 3.75Å; W2820-H2826 AromaticContact CH2-NE2 3.57Å; W2820-H2826 AromaticContact CZ2-NE2 3.29Å; W2820-H2826 VanDerWaalsContact CZ2-NE2 3.29Å; W2820-H2826 WeakPolarHBondContact CZ2-NE2 3.02Å; Y2822-H2826 PolarHBondContact O-CD2 3.31Å; Y2822-H2826 VanDerWaalsContact O-CD2 3.27Å; S2823-H2826 PolarHBondContact O-N 3.39Å; S2823-H2826 VanDerWaalsContact O-N 3.14Å; T2824-H2826 PolarHBondContact O-N 2.92Å; H2826-S2828 VanDerWaalsContact C-N 3.34Å |
| 2827 | S | 33.4 | Very low | 45.4 | Very low | 81.5 Ų | 81.5 | 84.9 Ų | 84.9 | 57% | 0.57 | 47% | 0.468 | S | S | * | . | trans | -93.3 | -7.1 | 179.4 | -11.9 | 0 | 0 | 0 | 0 | 113.8 | S2823 T2824 S2829 | S2823-S2827 PolarHBondContact O-OG 3.19Å; T2824-S2827 WeakPolarHBondContact CA-OG 3.42Å; T2824-S2827 PolarHBondContact O-N 2.84Å; T2824-S2827 PolarHBondContact O-OG 3.44Å; T2824-S2827 VanDerWaalsContact O-OG 3.11Å; S2827-S2829 PolarHBondContact O-N 3.06Å | ||
| 2828 | S | 29 | Very low | 43 | Very low | 89 Ų | 89 | 88.4 Ų | 88.4 | 62% | 0.622 | 49% | 0.493 | S | S | * | . | trans | -85.7 | 75.3 | 177 | 50 | 0 | 0 | 0 | 0 | 111.2 | T2824 H2826 N2830 | T2824-S2828 PolarHBondContact O-N 3.18Å; T2824-S2828 PolarHBondContact O-OG 3.23Å; H2826-S2828 VanDerWaalsContact C-N 3.34Å; S2828-N2830 VanDerWaalsContact C-N 3.31Å; S2828-N2830 PolarHBondContact O-N 2.87Å | ||
| 2829 | S | 25.5 | Very low | 40.8 | Very low | 96 Ų | 96 | 92.1 Ų | 92.1 | 67% | 0.671 | 52% | 0.52 | S | S | * | . | trans | -78.2 | 49.4 | 166.3 | 59.5 | 0 | 0 | 0 | 0 | 111.3 | S2827 T2831 | S2827-S2829 PolarHBondContact O-N 3.06Å; S2829-T2831 PolarHBondContact O-N 3Å; S2829-T2831 VanDerWaalsContact O-N 3.16Å | ||
| 2830 | N | 25.2 | Very low | 39.1 | Very low | 137 Ų | 137 | 95 Ų | 95 | 73% | 0.733 | 53% | 0.534 | S | S | * | . | trans | -68.9 | 117.8 | 158.4 | -83.2 | -13.3 | 0 | 0 | 0 | 106.9 | S2828 I2832 | S2828-N2830 VanDerWaalsContact C-N 3.31Å; S2828-N2830 PolarHBondContact O-N 2.87Å; N2830-I2832 PolarHBondContact O-N 3.04Å | ||
| 2831 | T | 23.3 | Very low | 37.4 | Very low | 142 Ų | 142 | 99.6 Ų | 99.6 | 87% | 0.871 | 56% | 0.559 | S | S | * | * | trans | -51.2 | 81.4 | 173.6 | 41 | 0 | 0 | 0 | 0 | 111.1 | S2829 | S2829-T2831 PolarHBondContact O-N 3Å; S2829-T2831 VanDerWaalsContact O-N 3.16Å | ||
| 2832 | I | 26.1 | Very low | 35.9 | Very low | 139 Ų | 139 | 101 Ų | 101 | 71% | 0.713 | 58% | 0.575 | S | S | * | * | trans | -96.8 | 104.4 | 162.6 | -60.7 | 175.8 | 0 | 0 | 0 | 104.9 | N2830 H2834 | N2830-I2832 PolarHBondContact O-N 3.04Å; I2832-H2834 PolarHBondContact O-N 3.34Å | ||
| 2833 | T | 24.6 | Very low | 35.2 | Very low | 125 Ų | 125 | 98.6 Ų | 98.6 | 77% | 0.767 | 57% | 0.567 | S | S | * | * | trans | -38 | 116.8 | 164.9 | 35.7 | 0 | 0 | 0 | 0 | 110.1 | H2835 | T2833-H2835 PolarHBondContact O-N 3.31Š| ||
| 2834 | H | 22.9 | Very low | 34.8 | Very low | 185.5 Ų | 185.5 | 102 Ų | 102 | 86% | 0.859 | 59% | 0.585 | S | S | * | * | trans | -52.3 | 101.5 | 174.1 | -78.2 | -82.2 | 0 | 0 | 0 | 110.1 | I2832 P2836 | I2832-H2834 PolarHBondContact O-N 3.34Å; H2834-P2836 WeakPolarHBondContact O-CD 3.49Å | ||
| 2835 | H | 24 | Very low | 35.2 | Very low | 128.5 Ų | 128.5 | 103.3 Ų | 103.3 | 60% | 0.595 | 59% | 0.587 | S | S | * | * | trans | -78.8 | 119.4 | 152 | -114.4 | -71.1 | 0 | 0 | 0 | 105.6 | R2713 T2833 N2837 S2838 | R2713-H2835 PolarHBondContact NH1-NE2 3.15Å; T2833-H2835 PolarHBondContact O-N 3.31Å; H2835-N2837 PolarHBondContact O-N 3.19Å; H2835-S2838 PolarHBondContact O-N 2.98Å | ||
| 2836 | P | 25.2 | Very low | 35.8 | Very low | 114 Ų | 114 | 104.6 Ų | 104.6 | 74% | 0.74 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.5 | 4.6 | -169.5 | 27.4 | -33.6 | 0 | 0 | 0 | 114.4 | H2834 | H2834-P2836 WeakPolarHBondContact O-CD 3.49Š|
| 2837 | N | 27.8 | Very low | 37 | Very low | 136 Ų | 136 | 103.4 Ų | 103.4 | 73% | 0.727 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.8 | -4.6 | -177 | -65.5 | 6.9 | 0 | 0 | 0 | 113.8 | H2835 S2839 | H2835-N2837 PolarHBondContact O-N 3.19Å; N2837-S2839 VanDerWaalsContact C-N 3.29Å; N2837-S2839 PolarHBondContact O-N 3.02Å; N2837-S2839 VanDerWaalsContact O-N 3.16Å |
| 2838 | S | 30.9 | Very low | 38.6 | Very low | 75.5 Ų | 75.5 | 100 Ų | 100 | 53% | 0.528 | 57% | 0.567 | S | S | . | * | trans | -90.5 | 57.1 | 178 | 73.2 | 0 | 0 | 0 | 0 | 111.9 | H2835 E2840 | H2835-S2838 PolarHBondContact O-N 2.98Å; S2838-E2840 PolarHBondContact O-N 3.13Å | ||
| 2839 | S | 34.7 | Very low | 40.5 | Very low | 92.5 Ų | 92.5 | 97.8 Ų | 97.8 | 65% | 0.647 | 55% | 0.548 | S | S | * | . | G | 310 helix | trans | -68.3 | -7 | 165.3 | 52.8 | 0 | 0 | 0 | 0 | 112.3 | N2837 N2841 S2842 | N2837-S2839 VanDerWaalsContact C-N 3.29Å; N2837-S2839 PolarHBondContact O-N 3.02Å; N2837-S2839 VanDerWaalsContact O-N 3.16Å; S2839-N2841 VanDerWaalsContact C-N 3.26Å; S2839-N2841 PolarHBondContact O-N 3.34Å; S2839-N2841 VanDerWaalsContact O-N 3.17Å; S2839-S2842 PolarHBondContact O-OG 3.41Å |
| 2840 | E | 40.6 | Very low | 42.6 | Very low | 62.5 Ų | 62.5 | 95.1 Ų | 95.1 | 29% | 0.292 | 54% | 0.535 | S | S | . | . | G | 310 helix | trans | -71.6 | -15.2 | -172.5 | -62.5 | -166.9 | 148.8 | 0 | 0 | 115 | W2665 H2769 S2838 Y2963 | W2665-E2840 WeakPolarHBondContact CH2-OE1 3.29Å; W2665-E2840 WeakPolarHBondContact CZ2-OE1 3.36Å; H2769-E2840 IonicContact CE1-OE1 2.94Å; H2769-E2840 PolarHBondContact CE1-OE1 3.05Å; H2769-E2840 IonicContact NE2-OE1 2.67Å; S2838-E2840 PolarHBondContact O-N 3.13Å; E2840-Y2963 HydrophobicContact CB-CE1 4.45Å; E2840-Y2963 HydrophobicContact CB-CE2 4.38Å; E2840-Y2963 WeakPolarHBondContact O-CD2 3.3Å; E2840-Y2963 WeakPolarHBondContact O-CE2 3.31Å |
| 2841 | N | 43 | Very low | 44.7 | Very low | 105.5 Ų | 105.5 | 88.9 Ų | 88.9 | 56% | 0.564 | 50% | 0.502 | S | S | * | . | G | 310 helix | trans | -107.9 | -0.4 | -171.9 | -90.4 | -37.8 | 0 | 0 | 0 | 115.7 | S2839 K2967 | S2839-N2841 VanDerWaalsContact C-N 3.26Å; S2839-N2841 PolarHBondContact O-N 3.34Å; S2839-N2841 VanDerWaalsContact O-N 3.17Å; N2841-K2967 PolarHBondContact O-NZ 3.2Å; N2841-K2967 PolarHBondContact OD1-NZ 2.81Å |
| 2842 | S | 43.5 | Very low | 47 | Very low | 73 Ų | 73 | 83.6 Ų | 83.6 | 51% | 0.51 | 47% | 0.468 | S | S | . | . | S | Bend | trans | -97.8 | 121.1 | 175.4 | 55.8 | 0 | 0 | 0 | 0 | 109.8 | S2839 D2844 | S2839-S2842 PolarHBondContact O-OG 3.41Å; S2842-D2844 PolarHBondContact O-N 2.98Å |
| 2843 | I | 53.5 | Low | 49.1 | Very low | 26.5 Ų | 26.5 | 84.5 Ų | 84.5 | 14% | 0.136 | 47% | 0.469 | C | S | . | . | trans | -49.2 | 129.3 | 154.7 | -65.7 | 170.6 | 0 | 0 | 0 | 106 | W2820 W2821 E2845 V2848 I2960 | W2820-I2843 HydrophobicContact CZ3-CD1 4.31Å; W2821-I2843 HydrophobicContact CD2-CB 4.31Å; W2821-I2843 HydrophobicContact CD2-CD1 4.09Å; W2821-I2843 HydrophobicContact CD2-CG1 4.32Å; W2821-I2843 HydrophobicContact CE3-CB 4.03Å; W2821-I2843 HydrophobicContact CE3-CD1 3.5Å; W2821-I2843 HydrophobicContact CE3-CG1 4.08Å; W2821-I2843 HydrophobicContact CE3-CG2 4.11Å; W2821-I2843 HydrophobicContact CH2-CB 3.8Å; W2821-I2843 HydrophobicContact CH2-CD1 4.07Å; W2821-I2843 HydrophobicContact CH2-CG1 3.63Å; W2821-I2843 HydrophobicContact CH2-CG2 4.45Å; W2821-I2843 WeakPolarHBondContact CH2-O 3.02Å; W2821-I2843 HydrophobicContact CZ2-CB 3.94Å; W2821-I2843 HydrophobicContact CZ2-CG1 4.29Å; W2821-I2843 HydrophobicContact CZ3-CB 3.63Å; W2821-I2843 HydrophobicContact CZ3-CD1 3.77Å; W2821-I2843 HydrophobicContact CZ3-CG1 3.83Å; W2821-I2843 HydrophobicContact CZ3-CG2 3.61Å; W2821-I2843 WeakPolarHBondContact CZ3-O 2.91Å; I2843-E2845 VanDerWaalsContact C-N 3.3Å; I2843-E2845 PolarHBondContact O-N 2.94Å; I2843-V2848 HydrophobicContact CG2-CG2 3.57Å; I2843-I2960 HydrophobicContact CD1-CG2 3.76Å; I2843-I2960 HydrophobicContact CG1-CG2 4.13Å; I2843-I2960 HydrophobicContact CG2-CG2 4.39Å | ||
| 2844 | D | 56.3 | Low | 51.4 | Low | 78 Ų | 78 | 79.9 Ų | 79.9 | 42% | 0.417 | 44% | 0.442 | S | S | . | . | trans | -68.7 | 96.7 | -178.6 | -164.6 | -12.6 | 0 | 0 | 0 | 108.6 | S2842 N2846 I2847 V2848 | S2842-D2844 PolarHBondContact O-N 2.98Å; D2844-N2846 PolarHBondContact O-N 3.08Å; D2844-N2846 VanDerWaalsContact O-N 3.1Å; D2844-N2846 WeakPolarHBondContact OD1-CB 3.23Å; D2844-N2846 PolarHBondContact OD1-N 3.07Å; D2844-N2846 PolarHBondContact OD1-ND2 3.06Å; D2844-N2846 VanDerWaalsContact OD1-ND2 3.13Å; D2844-I2847 HydrophobicContact CB-CB 4.23Å; D2844-I2847 HydrophobicContact CB-CD1 3.74Å; D2844-I2847 HydrophobicContact CB-CG1 3.81Å; D2844-I2847 WeakPolarHBondContact O-CB 3.49Å; D2844-I2847 PolarHBondContact O-N 3.4Å; D2844-V2848 PolarHBondContact O-N 3.28Å; D2844-V2848 VanDerWaalsContact O-N 3.15Å | ||
| 2845 | E | 58.9 | Low | 53.6 | Low | 89 Ų | 89 | 81 Ų | 81 | 42% | 0.416 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -55 | -30 | -178.2 | -177.8 | 171.6 | -167.4 | 0 | 0 | 110.6 | W2821 I2843 I2847 V2848 N2849 | W2821-E2845 HydrophobicContact CH2-CB 4.24Å; W2821-E2845 HydrophobicContact CZ3-CB 4.4Å; I2843-E2845 VanDerWaalsContact C-N 3.3Å; I2843-E2845 PolarHBondContact O-N 2.94Å; E2845-I2847 PolarHBondContact O-N 3.34Å; E2845-V2848 PolarHBondContact O-N 3.43Å; E2845-N2849 VanDerWaalsContact CG-ND2 3.33Å; E2845-N2849 WeakPolarHBondContact CG-ND2 3.44Å; E2845-N2849 VanDerWaalsContact O-CB 3.25Å; E2845-N2849 WeakPolarHBondContact O-CB 3.36Å; E2845-N2849 VanDerWaalsContact O-CG 3.28Å; E2845-N2849 PolarHBondContact O-N 3.2Å; E2845-N2849 PolarHBondContact O-ND2 2.91Å |
| 2846 | N | 63.1 | Low | 56 | Low | 126.5 Ų | 126.5 | 81.6 Ų | 81.6 | 68% | 0.676 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -65.7 | -38.4 | 176.3 | -56 | -48.8 | 0 | 0 | 0 | 112.3 | D2844 G2850 | D2844-N2846 PolarHBondContact O-N 3.08Å; D2844-N2846 VanDerWaalsContact O-N 3.1Å; D2844-N2846 WeakPolarHBondContact OD1-CB 3.23Å; D2844-N2846 PolarHBondContact OD1-N 3.07Å; D2844-N2846 PolarHBondContact OD1-ND2 3.06Å; D2844-N2846 VanDerWaalsContact OD1-ND2 3.13Å; N2846-G2850 WeakPolarHBondContact O-CA 3.38Å; N2846-G2850 PolarHBondContact O-N 3.38Å |
| 2847 | I | 65.2 | Low | 58.3 | Low | 69.5 Ų | 69.5 | 79 Ų | 79 | 36% | 0.356 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -69.6 | -47 | 177.6 | -61.6 | 178.7 | 0 | 0 | 0 | 109.5 | D2844 E2845 G2850 I2851 F2959 | D2844-I2847 HydrophobicContact CB-CB 4.23Å; D2844-I2847 HydrophobicContact CB-CD1 3.74Å; D2844-I2847 HydrophobicContact CB-CG1 3.81Å; D2844-I2847 WeakPolarHBondContact O-CB 3.49Å; D2844-I2847 PolarHBondContact O-N 3.4Å; E2845-I2847 PolarHBondContact O-N 3.34Å; I2847-G2850 PolarHBondContact O-N 3.17Å; I2847-I2851 HydrophobicContact CG2-CD1 4.13Å; I2847-I2851 VanDerWaalsContact O-CG1 3.27Å; I2847-I2851 WeakPolarHBondContact O-CG1 3.37Å; I2847-I2851 PolarHBondContact O-N 3.08Å; I2847-F2959 HydrophobicContact CG2-CE1 4.15Å; I2847-F2959 HydrophobicContact CG2-CZ 4.31Å |
| 2848 | V | 68.1 | Low | 60.8 | Low | 10.5 Ų | 10.5 | 73.1 Ų | 73.1 | 6% | 0.064 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -63.1 | -49.1 | -178.9 | 174.3 | 0 | 0 | 0 | 0 | 111.4 | V2814 L2818 I2843 D2844 E2845 G2850 I2851 L2852 | V2814-V2848 HydrophobicContact CG1-CG1 3.64Å; L2818-V2848 HydrophobicContact CB-CG1 4.45Å; L2818-V2848 HydrophobicContact CD1-CG1 3.69Å; I2843-V2848 HydrophobicContact CG2-CG2 3.57Å; D2844-V2848 PolarHBondContact O-N 3.28Å; D2844-V2848 VanDerWaalsContact O-N 3.15Å; E2845-V2848 PolarHBondContact O-N 3.43Å; V2848-G2850 VanDerWaalsContact C-N 3.33Å; V2848-I2851 PolarHBondContact O-N 3.3Å; V2848-L2852 HydrophobicContact CG1-CD1 4.25Å; V2848-L2852 WeakPolarHBondContact O-CG 3.3Å; V2848-L2852 PolarHBondContact O-N 2.96Å |
| 2849 | N | 69.2 | Low | 63.4 | Low | 42.5 Ų | 42.5 | 69.5 Ų | 69.5 | 23% | 0.227 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -66.1 | -38 | 176.6 | -70.9 | -19.1 | 0 | 0 | 0 | 111 | E2845 I2851 L2852 E2853 | E2845-N2849 VanDerWaalsContact CG-ND2 3.33Å; E2845-N2849 WeakPolarHBondContact CG-ND2 3.44Å; E2845-N2849 VanDerWaalsContact O-CB 3.25Å; E2845-N2849 WeakPolarHBondContact O-CB 3.36Å; E2845-N2849 VanDerWaalsContact O-CG 3.28Å; E2845-N2849 PolarHBondContact O-N 3.2Å; E2845-N2849 PolarHBondContact O-ND2 2.91Å; N2849-I2851 VanDerWaalsContact C-N 3.33Å; N2849-I2851 PolarHBondContact O-N 3.03Å; N2849-L2852 PolarHBondContact O-N 3.34Å; N2849-L2852 VanDerWaalsContact O-N 3.14Å; N2849-E2853 WeakPolarHBondContact O-CB 3.39Å; N2849-E2853 WeakPolarHBondContact O-CG 3.32Å; N2849-E2853 PolarHBondContact O-N 3.11Å |
| 2850 | G | 67.9 | Low | 65.8 | Low | 38.5 Ų | 38.5 | 66.5 Ų | 66.5 | 40% | 0.397 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -58.3 | -41.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | N2846 I2847 V2848 L2852 S2854 | N2846-G2850 WeakPolarHBondContact O-CA 3.38Å; N2846-G2850 PolarHBondContact O-N 3.38Å; I2847-G2850 PolarHBondContact O-N 3.17Å; V2848-G2850 VanDerWaalsContact C-N 3.33Å; G2850-L2852 VanDerWaalsContact C-N 3.35Å; G2850-S2854 VanDerWaalsContact O-CB 3.26Å; G2850-S2854 WeakPolarHBondContact O-CB 3.3Å; G2850-S2854 PolarHBondContact O-N 3.13Å |
| 2851 | I | 70.4 | Confident | 67.8 | Low | 7.5 Ų | 7.5 | 64.6 Ų | 64.6 | 4% | 0.038 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -64.2 | -42.5 | 175.6 | -65 | 162.5 | 0 | 0 | 0 | 110.9 | L2810 K2811 V2814 I2847 V2848 N2849 S2854 | L2810-I2851 HydrophobicContact CD2-CG2 4.04Å; L2810-I2851 HydrophobicContact CG-CG2 4.28Å; K2811-I2851 WeakPolarHBondContact CE-O 3.38Å; V2814-I2851 HydrophobicContact CG2-CD1 4.48Å; V2814-I2851 HydrophobicContact CG2-CG2 4.34Å; I2847-I2851 HydrophobicContact CG2-CD1 4.13Å; I2847-I2851 VanDerWaalsContact O-CG1 3.27Å; I2847-I2851 WeakPolarHBondContact O-CG1 3.37Å; I2847-I2851 PolarHBondContact O-N 3.08Å; V2848-I2851 PolarHBondContact O-N 3.3Å; N2849-I2851 VanDerWaalsContact C-N 3.33Å; N2849-I2851 PolarHBondContact O-N 3.03Å; I2851-S2854 PolarHBondContact O-OG 2.98Å |
| 2852 | L | 71.1 | Confident | 69.7 | Low | 30.5 Ų | 30.5 | 59.7 Ų | 59.7 | 16% | 0.16 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -71.5 | -37.7 | -177.3 | -74.7 | 163.9 | 0 | 0 | 0 | 113.2 | V2814 R2815 L2818 V2848 N2849 G2850 | V2814-L2852 HydrophobicContact CG1-CD1 4.03Å; V2814-L2852 HydrophobicContact CG1-CD2 4.41Å; V2814-L2852 HydrophobicContact CG1-CG 3.97Å; R2815-L2852 HydrophobicContact CB-CD2 4.47Å; R2815-L2852 HydrophobicContact CG-CD1 4.4Å; R2815-L2852 HydrophobicContact CG-CD2 3.46Å; L2818-L2852 HydrophobicContact CD2-CD1 4.1Å; V2848-L2852 HydrophobicContact CG1-CD1 4.25Å; V2848-L2852 WeakPolarHBondContact O-CG 3.3Å; V2848-L2852 PolarHBondContact O-N 2.96Å; N2849-L2852 PolarHBondContact O-N 3.34Å; N2849-L2852 VanDerWaalsContact O-N 3.14Å; G2850-L2852 VanDerWaalsContact C-N 3.35Å |
| 2853 | E | 70.7 | Confident | 71.3 | Confident | 158 Ų | 158 | 60.9 Ų | 60.9 | 74% | 0.738 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -83.5 | -19 | -179.1 | -68.2 | -175.2 | 173.5 | 0 | 0 | 113.1 | N2849 K2855 | N2849-E2853 WeakPolarHBondContact O-CB 3.39Å; N2849-E2853 WeakPolarHBondContact O-CG 3.32Å; N2849-E2853 PolarHBondContact O-N 3.11Å; E2853-K2855 PolarHBondContact O-N 3.16Å |
| 2854 | S | 73.3 | Confident | 72.4 | Confident | 28.5 Ų | 28.5 | 63.8 Ų | 63.8 | 20% | 0.199 | 33% | 0.325 | C | S | . | . | trans | -62.3 | 125.2 | 179 | 123.2 | 0 | 0 | 0 | 0 | 112.5 | K2811 G2850 I2851 E2856 N2858 | K2811-S2854 PolarHBondContact NZ-O 2.96Å; K2811-S2854 VanDerWaalsContact NZ-O 3.1Å; G2850-S2854 VanDerWaalsContact O-CB 3.26Å; G2850-S2854 WeakPolarHBondContact O-CB 3.3Å; G2850-S2854 PolarHBondContact O-N 3.13Å; I2851-S2854 PolarHBondContact O-OG 2.98Å; S2854-E2856 VanDerWaalsContact C-N 3.28Å; S2854-E2856 PolarHBondContact OG-N 3.11Å; S2854-E2856 VanDerWaalsContact OG-N 3.09Å; S2854-N2858 WeakPolarHBondContact CB-ND2 2.98Å; S2854-N2858 PolarHBondContact OG-ND2 2.94Å | ||
| 2855 | K | 67.9 | Low | 73.5 | Confident | 209 Ų | 209 | 60.1 Ų | 60.1 | 91% | 0.909 | 31% | 0.305 | S | S | * | . | trans | -79.7 | -14.5 | 169 | -67.8 | -175.8 | -179.1 | 177.4 | 0 | 112.6 | E2853 | E2853-K2855 PolarHBondContact O-N 3.16Š| ||
| 2856 | E | 75.7 | Confident | 74.4 | Confident | 141 Ų | 141 | 57.9 Ų | 57.9 | 66% | 0.659 | 29% | 0.294 | S | S | * | . | S | Bend | trans | -75.3 | 157.4 | 177.6 | -61.8 | -175.3 | 177.4 | 0 | 0 | 110.8 | S2854 N2858 | S2854-E2856 VanDerWaalsContact C-N 3.28Å; S2854-E2856 PolarHBondContact OG-N 3.11Å; S2854-E2856 VanDerWaalsContact OG-N 3.09Å; E2856-N2858 PolarHBondContact O-N 3.17Å |
| 2857 | I | 73.5 | Confident | 75 | Confident | 58 Ų | 58 | 52.3 Ų | 52.3 | 30% | 0.297 | 26% | 0.264 | S | S | . | . | trans | -80.7 | 112 | 172.7 | -62.4 | 175.9 | 0 | 0 | 0 | 106.6 | P2802 R2804 D2807 A2859 F2860 | P2802-I2857 HydrophobicContact CB-CB 4.28Å; P2802-I2857 HydrophobicContact CB-CD1 4.2Å; P2802-I2857 HydrophobicContact CB-CG2 3.92Å; R2804-I2857 HydrophobicContact CB-CD1 4.33Å; D2807-I2857 HydrophobicContact CB-CG2 4.11Å; I2857-A2859 WeakPolarHBondContact CG2-O 3.33Å; I2857-F2860 VanDerWaalsContact O-CZ 3.25Å; I2857-F2860 WeakPolarHBondContact O-CZ 3.33Å | ||
| 2858 | N | 79.7 | Confident | 75.5 | Confident | 13 Ų | 13 | 49 Ų | 49 | 7% | 0.07 | 25% | 0.247 | C | C | . | . | trans | -95.9 | 8.4 | -179.1 | -69.8 | -27.2 | 0 | 0 | 0 | 112.8 | D2807 L2810 S2854 E2856 K2900 L2901 | D2807-N2858 PolarHBondContact OD1-N 3.48Å; L2810-N2858 HydrophobicContact CD2-CB 4.41Å; S2854-N2858 WeakPolarHBondContact CB-ND2 2.98Å; S2854-N2858 PolarHBondContact OG-ND2 2.94Å; E2856-N2858 PolarHBondContact O-N 3.17Å; N2858-K2900 CarbonylContact O-C 3.56Å; N2858-K2900 VanDerWaalsContact O-CA 3.25Å; N2858-K2900 WeakPolarHBondContact O-CA 3.25Å; N2858-L2901 PolarHBondContact O-N 2.93Å | ||
| 2859 | A | 84.3 | Confident | 75.8 | Confident | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 132.6 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | C2803 L2806 D2807 I2857 L2901 | C2803-A2859 PolarHBondContact N-O 3.2Å; L2806-A2859 HydrophobicContact CB-CB 3.86Å; L2806-A2859 HydrophobicContact CD2-CB 3.92Å; L2806-A2859 HydrophobicContact CG-CB 3.77Å; D2807-A2859 HydrophobicContact CB-CB 3.91Å; D2807-A2859 VanDerWaalsContact N-CB 3.31Å; I2857-A2859 WeakPolarHBondContact CG2-O 3.33Å; A2859-L2901 CarbonylContact C-O 3.53Å; A2859-L2901 VanDerWaalsContact CA-O 3.28Å; A2859-L2901 WeakPolarHBondContact CA-O 3.26Å; A2859-L2901 HydrophobicContact CB-CB 4.26Å |
| 2860 | F | 85.5 | Confident | 76 | Confident | 29 Ų | 29 | 47.4 Ų | 47.4 | 13% | 0.127 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 140.2 | -173.1 | -56.5 | -90.7 | 0 | 0 | 0 | 111.2 | M2800 I2801 P2802 I2857 K2900 L2901 F2902 L2903 | M2800-F2860 HydrophobicContact CB-CB 4.17Å; M2800-F2860 HydrophobicContact CB-CD1 3.98Å; M2800-F2860 HydrophobicContact CB-CG 4.32Å; I2801-F2860 CarbonylContact O-C 3.55Å; I2801-F2860 WeakPolarHBondContact O-CA 3.1Å; P2802-F2860 HydrophobicContact CB-CD1 4.2Å; P2802-F2860 HydrophobicContact CB-CE1 4.13Å; P2802-F2860 HydrophobicContact CG-CD1 4.11Å; P2802-F2860 HydrophobicContact CG-CE1 4Å; I2857-F2860 VanDerWaalsContact O-CZ 3.25Å; I2857-F2860 WeakPolarHBondContact O-CZ 3.33Å; F2860-K2900 HydrophobicContact CD2-CB 4.47Å; F2860-K2900 HydrophobicContact CE2-CB 4.34Å; F2860-K2900 HydrophobicContact CE2-CD 3.98Å; F2860-K2900 HydrophobicContact CE2-CG 4.24Å; F2860-L2901 PolarHBondContact N-O 2.94Å; F2860-F2902 HydrophobicContact CB-CD1 3.92Å; F2860-F2902 HydrophobicContact CB-CE1 4.13Å; F2860-F2902 HydrophobicContact CD2-CD1 4.17Å; F2860-F2902 AromaticContact CD2-CE1 3.64Å; F2860-F2902 HydrophobicContact CD2-CE1 3.64Å; F2860-F2902 HydrophobicContact CD2-CZ 4.41Å; F2860-F2902 HydrophobicContact CE2-CE1 4.39Å; F2860-F2902 HydrophobicContact CG-CD1 4.43Å; F2860-F2902 HydrophobicContact CG-CE1 4.14Å; F2860-F2902 WeakPolarHBondContact O-CA 3.35Å; F2860-L2903 PolarHBondContact O-N 3.33Å |
| 2861 | L | 83 | Confident | 76 | Confident | 22 Ų | 22 | 46.5 Ų | 46.5 | 12% | 0.115 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 128.8 | 166.1 | -100.5 | 130.7 | 0 | 0 | 0 | 108.4 | M2800 I2801 C2803 L2903 F2912 | M2800-L2861 WeakPolarHBondContact CA-O 3.11Å; I2801-L2861 HydrophobicContact CB-CB 4.18Å; I2801-L2861 PolarHBondContact N-O 2.89Å; I2801-L2861 PolarHBondContact O-N 3.18Å; C2803-L2861 HydrophobicContact CB-CD1 4.2Å; C2803-L2861 HydrophobicContact CB-CG 4.01Å; L2861-L2903 WeakPolarHBondContact CA-O 3.39Å; L2861-L2903 HydrophobicContact CD1-CD2 4.23Å; L2861-L2903 HydrophobicContact CD2-CB 4.27Å; L2861-L2903 HydrophobicContact CD2-CD2 3.95Å; L2861-L2903 HydrophobicContact CD2-CG 4.5Å; L2861-F2912 HydrophobicContact CD1-CB 4.4Å; L2861-F2912 HydrophobicContact CD1-CD2 3.8Å; L2861-F2912 HydrophobicContact CD1-CE2 3.88Å; L2861-F2912 HydrophobicContact CD1-CG 3.96Å; L2861-F2912 HydrophobicContact CD1-CZ 4.04Å; L2861-F2912 HydrophobicContact CD2-CD2 4.13Å; L2861-F2912 HydrophobicContact CD2-CG 4.35Å |
| 2862 | V | 82.5 | Confident | 75.6 | Confident | 3 Ų | 3 | 50 Ų | 50 | 2% | 0.018 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 130.3 | 180 | 179 | 0 | 0 | 0 | 0 | 108.5 | F2799 M2800 H2864 L2865 F2902 L2903 D2904 S2905 | F2799-V2862 HydrophobicContact CD2-CG1 4.08Å; F2799-V2862 HydrophobicContact CE2-CG1 4.13Å; F2799-V2862 HydrophobicContact CE2-CG2 4.48Å; M2800-V2862 HydrophobicContact CE-CG2 3.72Å; M2800-V2862 HydrophobicContact CG-CG2 4.28Å; V2862-H2864 PolarHBondContact O-N 3.14Å; V2862-L2865 HydrophobicContact CB-CB 4.33Å; V2862-L2865 HydrophobicContact CB-CD1 4.08Å; V2862-L2865 HydrophobicContact CG1-CB 4.26Å; V2862-L2865 HydrophobicContact CG1-CD1 3.96Å; V2862-L2865 HydrophobicContact CG2-CD1 4.29Å; V2862-F2902 HydrophobicContact CG2-CB 4.24Å; V2862-F2902 HydrophobicContact CG2-CD1 3.96Å; V2862-L2903 PolarHBondContact N-O 3.29Å; V2862-D2904 WeakPolarHBondContact O-CA 3.36Å; V2862-S2905 PolarHBondContact O-N 3.01Å |
| 2863 | D | 78 | Confident | 74.6 | Confident | 98.5 Ų | 98.5 | 52.6 Ų | 52.6 | 53% | 0.527 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.6 | 125.7 | 172.3 | -165.4 | 31.5 | 0 | 0 | 0 | 110.2 | S2905 | D2863-S2905 WeakPolarHBondContact CA-OG 3.3Å; D2863-S2905 PolarHBondContact OD1-OG 2.81Å |
| 2864 | H | 76.5 | Confident | 73.4 | Confident | 88 Ų | 88 | 48.8 Ų | 48.8 | 41% | 0.407 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.7 | 58.5 | -179.2 | -60.4 | 79.7 | 0 | 0 | 0 | 114.5 | V2862 Q2866 R2891 D2904 | V2862-H2864 PolarHBondContact O-N 3.14Å; H2864-Q2866 PolarHBondContact O-N 3.14Å; H2864-Q2866 VanDerWaalsContact O-N 3.13Å; H2864-R2891 VanDerWaalsContact CA-NH2 3.31Å; H2864-R2891 PolarHBondContact CD2-NH1 3.22Å; H2864-R2891 VanDerWaalsContact CD2-NH1 3.25Å; H2864-R2891 PolarHBondContact CD2-NH2 3.35Å; H2864-R2891 PolarHBondContact NE2-NH1 3.3Å; H2864-D2904 WeakPolarHBondContact CA-OD2 3.23Å |
| 2865 | L | 78.8 | Confident | 72.3 | Confident | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 27% | 0.27 | C | S | . | . | trans | -60.8 | 114.8 | -177.1 | -178.6 | 65.3 | 0 | 0 | 0 | 111.6 | I2775 V2862 R2891 F2892 F2902 D2904 | I2775-L2865 HydrophobicContact CD1-CD1 4.27Å; I2775-L2865 HydrophobicContact CG1-CD1 4.35Å; I2775-L2865 HydrophobicContact CG2-CD1 3.88Å; V2862-L2865 HydrophobicContact CB-CB 4.33Å; V2862-L2865 HydrophobicContact CB-CD1 4.08Å; V2862-L2865 HydrophobicContact CG1-CB 4.26Å; V2862-L2865 HydrophobicContact CG1-CD1 3.96Å; V2862-L2865 HydrophobicContact CG2-CD1 4.29Å; L2865-R2891 VanDerWaalsContact O-CA 3.29Å; L2865-R2891 WeakPolarHBondContact O-CA 3.48Å; L2865-R2891 VanDerWaalsContact O-CG 3.31Å; L2865-R2891 WeakPolarHBondContact O-CG 3.38Å; L2865-F2892 HydrophobicContact CD2-CB 4.48Å; L2865-F2892 PolarHBondContact O-N 3.03Å; L2865-F2902 HydrophobicContact CD1-CB 4.01Å; L2865-F2902 HydrophobicContact CD2-CB 4.06Å; L2865-D2904 HydrophobicContact CB-CB 3.87Å; L2865-D2904 PolarHBondContact N-OD2 3.28Å | ||
| 2866 | Q | 78 | Confident | 71.3 | Confident | 42.5 Ų | 42.5 | 45.3 Ų | 45.3 | 20% | 0.199 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 134.5 | 174.4 | -71.5 | -178.6 | 4.7 | 0 | 0 | 110.2 | I2775 K2776 H2864 K2890 R2891 | I2775-Q2866 WeakPolarHBondContact CA-O 3.31Å; K2776-Q2866 HydrophobicContact CB-CB 4.08Å; K2776-Q2866 HydrophobicContact CD-CB 4.48Å; K2776-Q2866 PolarHBondContact N-O 2.96Å; H2864-Q2866 PolarHBondContact O-N 3.14Å; H2864-Q2866 VanDerWaalsContact O-N 3.13Å; Q2866-K2890 WeakPolarHBondContact CA-O 3.29Å; Q2866-R2891 HydrophobicContact CG-CG 4.29Å |
| 2867 | I | 76.4 | Confident | 69.9 | Low | 8.5 Ų | 8.5 | 39.2 Ų | 39.2 | 4% | 0.044 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 138.6 | 175.8 | -55.4 | 174.1 | 0 | 0 | 0 | 107.9 | L2773 F2774 L2888 S2889 K2890 F2892 C2895 L2897 | L2773-I2867 HydrophobicContact CB-CG2 4.32Å; L2773-I2867 HydrophobicContact CD2-CG2 3.95Å; F2774-I2867 CarbonylContact O-C 3.51Å; F2774-I2867 VanDerWaalsContact O-CA 3.31Å; F2774-I2867 WeakPolarHBondContact O-CA 3.32Å; I2867-L2888 HydrophobicContact CB-CD1 4.05Å; I2867-L2888 HydrophobicContact CG2-CD1 4.19Å; I2867-L2888 VanDerWaalsContact O-CB 3.29Å; I2867-L2888 WeakPolarHBondContact O-CB 3.11Å; I2867-L2888 WeakPolarHBondContact O-CD1 3.03Å; I2867-L2888 PolarHBondContact O-N 3.25Å; I2867-S2889 CarbonylContact O-C 3.48Å; I2867-S2889 VanDerWaalsContact O-CA 3.26Å; I2867-S2889 WeakPolarHBondContact O-CA 3.31Å; I2867-K2890 PolarHBondContact N-O 3.37Å; I2867-K2890 PolarHBondContact O-N 2.9Å; I2867-F2892 HydrophobicContact CB-CD2 4.05Å; I2867-F2892 HydrophobicContact CB-CE2 3.96Å; I2867-F2892 HydrophobicContact CD1-CB 4.24Å; I2867-F2892 HydrophobicContact CD1-CD1 4.31Å; I2867-F2892 HydrophobicContact CD1-CD2 3.53Å; I2867-F2892 HydrophobicContact CD1-CE1 4.39Å; I2867-F2892 HydrophobicContact CD1-CE2 3.89Å; I2867-F2892 HydrophobicContact CD1-CG 3.77Å; I2867-F2892 HydrophobicContact CD1-CZ 4.34Å; I2867-F2892 HydrophobicContact CG1-CD2 3.72Å; I2867-F2892 HydrophobicContact CG1-CE2 4.12Å; I2867-F2892 HydrophobicContact CG1-CG 4.36Å; I2867-C2895 HydrophobicContact CD1-CB 3.55Å; I2867-C2895 VanDerWaalsContact CD1-CB 3.42Å; I2867-C2895 HydrophobicContact CG1-CB 4.44Å; I2867-L2897 HydrophobicContact CG2-CD1 4.5Å |
| 2868 | A | 74.7 | Confident | 68.5 | Low | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 154.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111 | L2773 F2774 K2776 Y2787 I2886 L2888 | L2773-A2868 WeakPolarHBondContact CA-O 3.48Å; F2774-A2868 WeakPolarHBondContact CD1-O 3.32Å; F2774-A2868 HydrophobicContact CD2-CB 4.15Å; F2774-A2868 HydrophobicContact CE1-CB 3.87Å; F2774-A2868 HydrophobicContact CE2-CB 3.43Å; F2774-A2868 VanDerWaalsContact CE2-CB 3.43Å; F2774-A2868 HydrophobicContact CZ-CB 3.3Å; F2774-A2868 PolarHBondContact N-O 3.17Å; F2774-A2868 PolarHBondContact O-N 2.84Å; K2776-A2868 HydrophobicContact CB-CB 4.34Å; Y2787-A2868 HydrophobicContact CD1-CB 3.82Å; Y2787-A2868 HydrophobicContact CE1-CB 3.57Å; A2868-I2886 CarbonylContact C-O 3.54Å; A2868-I2886 VanDerWaalsContact CA-O 3.31Å; A2868-I2886 WeakPolarHBondContact CA-O 3.22Å; A2868-I2886 WeakPolarHBondContact CB-O 3.33Å; A2868-L2888 VanDerWaalsContact CA-O 3.28Å; A2868-L2888 WeakPolarHBondContact CA-O 3.24Å |
| 2869 | L | 75.5 | Confident | 66.9 | Low | 2.5 Ų | 2.5 | 44.9 Ų | 44.9 | 1% | 0.013 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 125.4 | 177.4 | -173 | 73.3 | 0 | 0 | 0 | 109.6 | H2670 L2673 I2674 I2767 S2771 L2773 F2871 H2885 I2886 L2888 | H2670-L2869 HydrophobicContact CB-CD1 4.47Å; H2670-L2869 WeakPolarHBondContact CD2-CD1 3.35Å; L2673-L2869 HydrophobicContact CD1-CB 4.17Å; I2674-L2869 HydrophobicContact CD1-CD2 4.21Å; I2674-L2869 HydrophobicContact CG1-CD2 4.19Å; I2767-L2869 HydrophobicContact CD1-CD2 4Å; I2767-L2869 HydrophobicContact CG1-CD2 4.37Å; S2771-L2869 WeakPolarHBondContact OG-CD1 3.46Å; L2773-L2869 HydrophobicContact CD2-CB 4.41Å; L2773-L2869 HydrophobicContact CD2-CD1 3.72Å; L2773-L2869 HydrophobicContact CG-CD1 4.35Å; L2869-F2871 HydrophobicContact CD2-CE1 4.49Å; L2869-F2871 HydrophobicContact CD2-CE2 4.41Å; L2869-F2871 HydrophobicContact CD2-CZ 3.97Å; L2869-H2885 CarbonylContact O-C 3.54Å; L2869-H2885 WeakPolarHBondContact O-CA 3.41Å; L2869-I2886 HydrophobicContact CB-CB 4.29Å; L2869-I2886 PolarHBondContact N-O 3.3Å; L2869-I2886 PolarHBondContact O-N 2.91Å; L2869-L2888 HydrophobicContact CB-CB 4.17Å; L2869-L2888 HydrophobicContact CB-CD1 4.22Å; L2869-L2888 HydrophobicContact CD2-CD1 4.01Å |
| 2870 | S | 72.4 | Confident | 65.1 | Low | 18 Ų | 18 | 46.4 Ų | 46.4 | 13% | 0.126 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 145.2 | 174.4 | 119.6 | 0 | 0 | 0 | 0 | 110.8 | S2771 E2772 F2774 N2884 H2885 | S2771-S2870 CarbonylContact C-O 3.54Å; S2771-S2870 WeakPolarHBondContact CA-O 3.33Å; S2771-S2870 WeakPolarHBondContact CB-O 3.29Å; E2772-S2870 PolarHBondContact N-O 2.84Å; E2772-S2870 PolarHBondContact O-N 2.86Å; E2772-S2870 PolarHBondContact O-OG 2.66Å; F2774-S2870 WeakPolarHBondContact CD1-OG 3.44Å; F2774-S2870 VanDerWaalsContact CE1-CB 3.47Å; S2870-N2884 WeakPolarHBondContact CA-O 3.35Å; S2870-H2885 VanDerWaalsContact CB-ND1 3.34Å; S2870-H2885 WeakPolarHBondContact CB-ND1 3.48Å; S2870-H2885 PolarHBondContact OG-CE1 3.15Å; S2870-H2885 PolarHBondContact OG-ND1 2.91Å |
| 2871 | F | 68.1 | Low | 63.2 | Low | 19 Ų | 19 | 46.4 Ų | 46.4 | 8% | 0.083 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 130.5 | 171.7 | -62.4 | -88.4 | 0 | 0 | 0 | 110.4 | L2662 F2663 F2700 V2770 L2869 F2881 N2884 I2886 | L2662-F2871 HydrophobicContact CD1-CE1 4.12Å; L2662-F2871 HydrophobicContact CD1-CZ 4.16Å; F2663-F2871 HydrophobicContact CE1-CE1 4.29Å; F2663-F2871 HydrophobicContact CZ-CE1 4.32Å; F2700-F2871 HydrophobicContact CE1-CE2 4.48Å; F2700-F2871 HydrophobicContact CE1-CZ 4.42Å; V2770-F2871 HydrophobicContact CG1-CD1 4.2Å; V2770-F2871 HydrophobicContact CG2-CD1 4.09Å; V2770-F2871 HydrophobicContact CG2-CE1 4.25Å; V2770-F2871 CarbonylContact O-C 3.49Å; V2770-F2871 VanDerWaalsContact O-CA 3.31Å; V2770-F2871 WeakPolarHBondContact O-CA 3.37Å; L2869-F2871 HydrophobicContact CD2-CE1 4.49Å; L2869-F2871 HydrophobicContact CD2-CE2 4.41Å; L2869-F2871 HydrophobicContact CD2-CZ 3.97Å; F2871-F2881 HydrophobicContact CB-CE2 4.08Å; F2871-F2881 HydrophobicContact CB-CZ 4.1Å; F2871-F2881 HydrophobicContact CD1-CE2 4.34Å; F2871-F2881 HydrophobicContact CD1-CZ 4.23Å; F2871-F2881 HydrophobicContact CD2-CD2 4.39Å; F2871-F2881 AromaticContact CD2-CE1 3.63Å; F2871-F2881 HydrophobicContact CD2-CE1 3.82Å; F2871-F2881 AromaticContact CD2-CE2 3.8Å; F2871-F2881 HydrophobicContact CD2-CE2 3.8Å; F2871-F2881 AromaticContact CD2-CZ 3.34Å; F2871-F2881 HydrophobicContact CD2-CZ 3.34Å; F2871-F2881 HydrophobicContact CE1-CZ 4.17Å; F2871-F2881 AromaticContact CE2-CE1 3.85Å; F2871-F2881 HydrophobicContact CE2-CE1 3.85Å; F2871-F2881 HydrophobicContact CE2-CE2 4.14Å; F2871-F2881 AromaticContact CE2-CZ 3.54Å; F2871-F2881 HydrophobicContact CE2-CZ 3.54Å; F2871-F2881 VanDerWaalsContact CE2-CZ 3.45Å; F2871-F2881 AromaticContact CG-CE2 3.9Å; F2871-F2881 HydrophobicContact CG-CE2 3.9Å; F2871-F2881 AromaticContact CG-CZ 3.81Å; F2871-F2881 HydrophobicContact CG-CZ 3.81Å; F2871-F2881 HydrophobicContact CZ-CE1 4.29Å; F2871-F2881 AromaticContact CZ-CZ 3.79Å; F2871-F2881 HydrophobicContact CZ-CZ 4.13Å; F2871-N2884 PolarHBondContact N-O 3.48Å; F2871-I2886 HydrophobicContact CE2-CD1 3.49Å; F2871-I2886 VanDerWaalsContact CE2-CD1 3.49Å; F2871-I2886 HydrophobicContact CE2-CG1 3.9Å; F2871-I2886 HydrophobicContact CZ-CD1 3.78Å |
| 2872 | N | 61.3 | Low | 61.4 | Low | 81 Ų | 81 | 54.4 Ų | 54.4 | 43% | 0.433 | 30% | 0.298 | S | S | . | . | S | Bend | trans | -82.8 | -26.1 | -172.1 | -78.2 | -8 | 0 | 0 | 0 | 113.5 | V2770 E2772 S2874 | V2770-N2872 PolarHBondContact O-N 3.22Å; E2772-N2872 WeakPolarHBondContact CG-ND2 3.34Å; E2772-N2872 PolarHBondContact OE1-ND2 2.76Å; E2772-N2872 PolarHBondContact OE2-ND2 2.92Å; E2772-N2872 VanDerWaalsContact OE2-ND2 3.11Å; N2872-S2874 PolarHBondContact O-N 3.05Å |
| 2873 | D | 50.8 | Low | 59.7 | Low | 84.5 Ų | 84.5 | 60.5 Ų | 60.5 | 45% | 0.452 | 33% | 0.33 | S | S | . | . | trans | -89.1 | 98.9 | -176.8 | -94.9 | -30.4 | 0 | 0 | 0 | 112.6 | V2770 S2875 Y2877 | V2770-D2873 HydrophobicContact CG1-CB 4.15Å; D2873-S2875 PolarHBondContact O-N 3.23Å; D2873-Y2877 HydrophobicContact CB-CD2 3.64Å; D2873-Y2877 HydrophobicContact CB-CE2 3.81Å; D2873-Y2877 VanDerWaalsContact O-CB 3.28Å; D2873-Y2877 WeakPolarHBondContact O-CB 3.37Å; D2873-Y2877 WeakPolarHBondContact O-CD2 3.4Å; D2873-Y2877 PolarHBondContact O-N 3.48Å | ||
| 2874 | S | 45.4 | Very low | 58.4 | Low | 79.5 Ų | 79.5 | 59.4 Ų | 59.4 | 56% | 0.556 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -83.1 | -10 | -178.8 | 55.6 | 0 | 0 | 0 | 0 | 114.2 | N2872 S2878 | N2872-S2874 PolarHBondContact O-N 3.05Å; S2874-S2878 VanDerWaalsContact O-CA 3.24Å; S2874-S2878 WeakPolarHBondContact O-CA 3.18Å; S2874-S2878 WeakPolarHBondContact O-CB 3.35Å; S2874-S2878 PolarHBondContact O-N 3.2Å; S2874-S2878 PolarHBondContact O-OG 3.21Å |
| 2875 | S | 50.2 | Low | 57.3 | Low | 91.5 Ų | 91.5 | 60 Ų | 60 | 64% | 0.64 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -83 | -54.3 | 179.5 | 54.4 | 0 | 0 | 0 | 0 | 112.2 | D2873 Y2877 S2878 | D2873-S2875 PolarHBondContact O-N 3.23Å; S2875-Y2877 VanDerWaalsContact C-N 3.31Å; S2875-Y2877 PolarHBondContact O-N 3.13Å; S2875-S2878 PolarHBondContact O-OG 3.48Å |
| 2876 | S | 47.1 | Very low | 56.3 | Low | 72 Ų | 72 | 61.3 Ų | 61.3 | 50% | 0.503 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -75.2 | -28.6 | -179.3 | -53.8 | 0 | 0 | 0 | 0 | 113 | ||
| 2877 | Y | 46.5 | Very low | 55.5 | Low | 13 Ų | 13 | 61.3 Ų | 61.3 | 5% | 0.051 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -106.6 | -8.8 | -173.7 | -57.1 | -85.3 | 0 | 0 | 0 | 114.5 | L2636 L2660 V2770 D2873 S2875 N2879 M2880 F2881 | L2636-Y2877 HydrophobicContact CD2-CD2 4.18Å; L2636-Y2877 HydrophobicContact CD2-CE1 4.09Å; L2636-Y2877 HydrophobicContact CD2-CE2 3.28Å; L2636-Y2877 WeakPolarHBondContact CD2-OH 3.44Å; L2660-Y2877 HydrophobicContact CD1-CD1 4.08Å; L2660-Y2877 HydrophobicContact CD1-CE1 4.38Å; L2660-Y2877 HydrophobicContact CD2-CD1 3.74Å; L2660-Y2877 HydrophobicContact CD2-CE1 3.6Å; L2660-Y2877 HydrophobicContact CG-CD1 4.29Å; L2660-Y2877 HydrophobicContact CG-CE1 4.14Å; V2770-Y2877 WeakPolarHBondContact CB-OH 3.34Å; V2770-Y2877 HydrophobicContact CG1-CD2 4.14Å; V2770-Y2877 HydrophobicContact CG1-CE2 3.62Å; V2770-Y2877 VanDerWaalsContact CG1-OH 3.27Å; V2770-Y2877 WeakPolarHBondContact CG1-OH 3.49Å; D2873-Y2877 HydrophobicContact CB-CD2 3.64Å; D2873-Y2877 HydrophobicContact CB-CE2 3.81Å; D2873-Y2877 VanDerWaalsContact O-CB 3.28Å; D2873-Y2877 WeakPolarHBondContact O-CB 3.37Å; D2873-Y2877 WeakPolarHBondContact O-CD2 3.4Å; D2873-Y2877 PolarHBondContact O-N 3.48Å; S2875-Y2877 VanDerWaalsContact C-N 3.31Å; S2875-Y2877 PolarHBondContact O-N 3.13Å; Y2877-N2879 PolarHBondContact O-N 3.38Å; Y2877-M2880 HydrophobicContact CD1-SD 3.47Å; Y2877-M2880 WeakPolarHBondContact CD1-SD 3.44Å; Y2877-M2880 HydrophobicContact CE1-SD 4.11Å; Y2877-M2880 HydrophobicContact CG-SD 4.25Å; Y2877-M2880 CarbonylContact O-C 3.58Å; Y2877-M2880 WeakPolarHBondContact O-CA 3.32Å; Y2877-M2880 VanDerWaalsContact O-CB 3.31Å; Y2877-M2880 WeakPolarHBondContact O-CB 3.28Å; Y2877-M2880 PolarHBondContact O-N 3.13Å; Y2877-M2880 VanDerWaalsContact O-N 3.14Å; Y2877-F2881 HydrophobicContact CD1-CD2 4.29Å; Y2877-F2881 AromaticContact CD1-CE2 3.46Å; Y2877-F2881 HydrophobicContact CD1-CE2 3.46Å; Y2877-F2881 VanDerWaalsContact CD1-CE2 3.46Å; Y2877-F2881 HydrophobicContact CD1-CZ 4.25Å; Y2877-F2881 HydrophobicContact CE1-CE2 4.34Å; Y2877-F2881 HydrophobicContact CG-CD2 4.4Å; Y2877-F2881 AromaticContact CG-CE2 3.91Å; Y2877-F2881 HydrophobicContact CG-CE2 4.15Å; Y2877-F2881 VanDerWaalsContact O-CD2 3.27Å; Y2877-F2881 WeakPolarHBondContact O-CD2 3.3Å; Y2877-F2881 PolarHBondContact O-N 2.85Å |
| 2878 | S | 44 | Very low | 54.8 | Low | 43 Ų | 43 | 61.5 Ų | 61.5 | 30% | 0.301 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -40.3 | -175.9 | 47.4 | 0 | 0 | 0 | 0 | 113.3 | S2874 S2875 M2880 F2881 F2882 | S2874-S2878 VanDerWaalsContact O-CA 3.24Å; S2874-S2878 WeakPolarHBondContact O-CA 3.18Å; S2874-S2878 WeakPolarHBondContact O-CB 3.35Å; S2874-S2878 PolarHBondContact O-N 3.2Å; S2874-S2878 PolarHBondContact O-OG 3.21Å; S2875-S2878 PolarHBondContact O-OG 3.48Å; S2878-M2880 VanDerWaalsContact C-N 3.3Å; S2878-M2880 PolarHBondContact O-N 3.28Å; S2878-F2881 PolarHBondContact O-N 3.46Å; S2878-F2882 WeakPolarHBondContact O-CD2 3.41Å; S2878-F2882 PolarHBondContact O-N 3.07Å |
| 2879 | N | 46.1 | Very low | 54.4 | Low | 147 Ų | 147 | 64.8 Ų | 64.8 | 79% | 0.786 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.3 | -22.7 | 177.7 | -79 | -5.5 | 0 | 0 | 0 | 112.7 | Y2877 | Y2877-N2879 PolarHBondContact O-N 3.38Š|
| 2880 | M | 46.2 | Very low | 54.3 | Low | 32.5 Ų | 32.5 | 66.9 Ų | 66.9 | 16% | 0.16 | 37% | 0.369 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.3 | -35.5 | 177 | -66.1 | -167.5 | 166 | 0 | 0 | 112.6 | V2634 N2658 L2660 Y2661 Y2877 S2878 | V2634-M2880 HydrophobicContact CB-CE 4.33Å; V2634-M2880 HydrophobicContact CG1-CE 3.42Å; V2634-M2880 VanDerWaalsContact CG1-CE 3.42Å; N2658-M2880 HydrophobicContact CB-CE 3.43Å; N2658-M2880 VanDerWaalsContact CB-CE 3.43Å; N2658-M2880 HydrophobicContact CB-SD 3.72Å; N2658-M2880 WeakPolarHBondContact OD1-CE 3.22Å; L2660-M2880 HydrophobicContact CD1-SD 3.81Å; Y2661-M2880 HydrophobicContact CD1-CE 4.32Å; Y2661-M2880 HydrophobicContact CD1-SD 4.33Å; Y2661-M2880 HydrophobicContact CE1-CB 4.06Å; Y2661-M2880 HydrophobicContact CE1-CE 3.8Å; Y2661-M2880 HydrophobicContact CE1-CG 3.83Å; Y2661-M2880 HydrophobicContact CE1-SD 3.82Å; Y2877-M2880 HydrophobicContact CD1-SD 3.47Å; Y2877-M2880 WeakPolarHBondContact CD1-SD 3.44Å; Y2877-M2880 HydrophobicContact CE1-SD 4.11Å; Y2877-M2880 HydrophobicContact CG-SD 4.25Å; Y2877-M2880 CarbonylContact O-C 3.58Å; Y2877-M2880 WeakPolarHBondContact O-CA 3.32Å; Y2877-M2880 VanDerWaalsContact O-CB 3.31Å; Y2877-M2880 WeakPolarHBondContact O-CB 3.28Å; Y2877-M2880 PolarHBondContact O-N 3.13Å; Y2877-M2880 VanDerWaalsContact O-N 3.14Å; S2878-M2880 VanDerWaalsContact C-N 3.3Å; S2878-M2880 PolarHBondContact O-N 3.28Å |
| 2881 | F | 45.1 | Very low | 54.4 | Low | 28.5 Ų | 28.5 | 69.8 Ų | 69.8 | 13% | 0.125 | 38% | 0.377 | C | S | . | . | trans | -101.7 | 49.4 | -176.2 | -65.5 | -72.2 | 0 | 0 | 0 | 113 | F2700 F2871 Y2877 S2878 N2883 N2884 H2885 | F2700-F2881 HydrophobicContact CE1-CD1 4.31Å; F2700-F2881 AromaticContact CE1-CE1 3.46Å; F2700-F2881 HydrophobicContact CE1-CE1 3.46Å; F2700-F2881 VanDerWaalsContact CE1-CE1 3.46Å; F2700-F2881 HydrophobicContact CE1-CZ 4.2Å; F2700-F2881 AromaticContact CZ-CD1 3.91Å; F2700-F2881 HydrophobicContact CZ-CD1 3.91Å; F2700-F2881 AromaticContact CZ-CE1 3.42Å; F2700-F2881 HydrophobicContact CZ-CE1 3.74Å; F2700-F2881 VanDerWaalsContact CZ-CE1 3.42Å; F2700-F2881 HydrophobicContact CZ-CZ 4.33Å; F2871-F2881 HydrophobicContact CB-CE2 4.08Å; F2871-F2881 HydrophobicContact CB-CZ 4.1Å; F2871-F2881 HydrophobicContact CD1-CE2 4.34Å; F2871-F2881 HydrophobicContact CD1-CZ 4.23Å; F2871-F2881 HydrophobicContact CD2-CD2 4.39Å; F2871-F2881 AromaticContact CD2-CE1 3.63Å; F2871-F2881 HydrophobicContact CD2-CE1 3.82Å; F2871-F2881 AromaticContact CD2-CE2 3.8Å; F2871-F2881 HydrophobicContact CD2-CE2 3.8Å; F2871-F2881 AromaticContact CD2-CZ 3.34Å; F2871-F2881 HydrophobicContact CD2-CZ 3.34Å; F2871-F2881 HydrophobicContact CE1-CZ 4.17Å; F2871-F2881 AromaticContact CE2-CE1 3.85Å; F2871-F2881 HydrophobicContact CE2-CE1 3.85Å; F2871-F2881 HydrophobicContact CE2-CE2 4.14Å; F2871-F2881 AromaticContact CE2-CZ 3.54Å; F2871-F2881 HydrophobicContact CE2-CZ 3.54Å; F2871-F2881 VanDerWaalsContact CE2-CZ 3.45Å; F2871-F2881 AromaticContact CG-CE2 3.9Å; F2871-F2881 HydrophobicContact CG-CE2 3.9Å; F2871-F2881 AromaticContact CG-CZ 3.81Å; F2871-F2881 HydrophobicContact CG-CZ 3.81Å; F2871-F2881 HydrophobicContact CZ-CE1 4.29Å; F2871-F2881 AromaticContact CZ-CZ 3.79Å; F2871-F2881 HydrophobicContact CZ-CZ 4.13Å; Y2877-F2881 HydrophobicContact CD1-CD2 4.29Å; Y2877-F2881 AromaticContact CD1-CE2 3.46Å; Y2877-F2881 HydrophobicContact CD1-CE2 3.46Å; Y2877-F2881 VanDerWaalsContact CD1-CE2 3.46Å; Y2877-F2881 HydrophobicContact CD1-CZ 4.25Å; Y2877-F2881 HydrophobicContact CE1-CE2 4.34Å; Y2877-F2881 HydrophobicContact CG-CD2 4.4Å; Y2877-F2881 AromaticContact CG-CE2 3.91Å; Y2877-F2881 HydrophobicContact CG-CE2 4.15Å; Y2877-F2881 VanDerWaalsContact O-CD2 3.27Å; Y2877-F2881 WeakPolarHBondContact O-CD2 3.3Å; Y2877-F2881 PolarHBondContact O-N 2.85Å; S2878-F2881 PolarHBondContact O-N 3.46Å; F2881-N2883 VanDerWaalsContact C-N 3.3Å; F2881-N2883 WeakPolarHBondContact CB-O 3.27Å; F2881-N2883 PolarHBondContact O-N 3.06Å; F2881-N2884 CarbonylContact O-C 3.45Å; F2881-N2884 PolarHBondContact O-N 3.02Å; F2881-H2885 PolarHBondContact O-N 3.45Å | ||
| 2882 | F | 45.8 | Very low | 54.8 | Low | 190.5 Ų | 190.5 | 69.5 Ų | 69.5 | 84% | 0.836 | 38% | 0.375 | S | S | * | . | S | Bend | trans | -63.7 | -29.4 | 170.6 | -82 | -72.4 | 0 | 0 | 0 | 112.7 | S2878 | S2878-F2882 WeakPolarHBondContact O-CD2 3.41Å; S2878-F2882 PolarHBondContact O-N 3.07Å |
| 2883 | N | 47.5 | Very low | 55.6 | Low | 130 Ų | 130 | 66.4 Ų | 66.4 | 70% | 0.695 | 36% | 0.359 | S | S | * | . | S | Bend | trans | -107.3 | 51.4 | 178.3 | -90.3 | -12.2 | 0 | 0 | 0 | 112 | F2881 H2885 | F2881-N2883 VanDerWaalsContact C-N 3.3Å; F2881-N2883 WeakPolarHBondContact CB-O 3.27Å; F2881-N2883 PolarHBondContact O-N 3.06Å; N2883-H2885 PolarHBondContact O-N 3.45Å |
| 2884 | N | 49.9 | Very low | 57 | Low | 76.5 Ų | 76.5 | 62.4 Ų | 62.4 | 41% | 0.409 | 34% | 0.337 | S | S | . | . | S | Bend | trans | -103.1 | 55 | 173.2 | -66.2 | -26.6 | 0 | 0 | 0 | 111.1 | S2870 F2871 F2881 I2886 | S2870-N2884 WeakPolarHBondContact CA-O 3.35Å; F2871-N2884 PolarHBondContact N-O 3.48Å; F2881-N2884 CarbonylContact O-C 3.45Å; F2881-N2884 PolarHBondContact O-N 3.02Å; N2884-I2886 HydrophobicContact CB-CD1 3.9Å; N2884-I2886 HydrophobicContact CB-CG1 3.43Å; N2884-I2886 VanDerWaalsContact CB-CG1 3.43Å; N2884-I2886 WeakPolarHBondContact O-CG1 3.33Å; N2884-I2886 PolarHBondContact O-N 3.41Å |
| 2885 | H | 53.5 | Low | 58.7 | Low | 101 Ų | 101 | 59.1 Ų | 59.1 | 47% | 0.468 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 106.9 | 171.5 | -80.9 | -69.9 | 0 | 0 | 0 | 109.1 | Y2787 L2869 S2870 F2881 N2883 D2887 | Y2787-H2885 HydrophobicContact CD2-CB 4.43Å; Y2787-H2885 AromaticContact CD2-CD2 3.39Å; Y2787-H2885 WeakPolarHBondContact CD2-CD2 3.42Å; Y2787-H2885 AromaticContact CD2-CG 3.8Å; Y2787-H2885 AromaticContact CD2-NE2 3.7Å; Y2787-H2885 HydrophobicContact CE1-CB 4.14Å; Y2787-H2885 HydrophobicContact CE2-CB 3.99Å; Y2787-H2885 AromaticContact CE2-CD2 3.53Å; Y2787-H2885 AromaticContact CE2-CG 3.82Å; L2869-H2885 CarbonylContact O-C 3.54Å; L2869-H2885 WeakPolarHBondContact O-CA 3.41Å; S2870-H2885 VanDerWaalsContact CB-ND1 3.34Å; S2870-H2885 WeakPolarHBondContact CB-ND1 3.48Å; S2870-H2885 PolarHBondContact OG-CE1 3.15Å; S2870-H2885 PolarHBondContact OG-ND1 2.91Å; F2881-H2885 PolarHBondContact O-N 3.45Å; N2883-H2885 PolarHBondContact O-N 3.45Å; H2885-D2887 VanDerWaalsContact C-N 3.25Å; H2885-D2887 PolarHBondContact O-N 3.1Å |
| 2886 | I | 58.2 | Low | 60.1 | Low | 26 Ų | 26 | 55 Ų | 55 | 13% | 0.133 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 96.6 | 173.3 | -60.2 | 177 | 0 | 0 | 0 | 107.3 | I2674 M2677 M2699 F2700 A2868 L2869 F2871 N2884 L2888 | I2674-I2886 HydrophobicContact CD1-CD1 4.47Å; M2677-I2886 HydrophobicContact CE-CD1 4.03Å; M2677-I2886 HydrophobicContact CE-CG2 3.92Å; M2677-I2886 HydrophobicContact SD-CG2 3.47Å; M2677-I2886 WeakPolarHBondContact SD-CG2 3.4Å; M2699-I2886 HydrophobicContact CE-CD1 3.89Å; M2699-I2886 HydrophobicContact SD-CD1 3.39Å; M2699-I2886 WeakPolarHBondContact SD-CD1 3.32Å; F2700-I2886 HydrophobicContact CD2-CD1 4.32Å; F2700-I2886 HydrophobicContact CE2-CD1 4.3Å; A2868-I2886 CarbonylContact C-O 3.54Å; A2868-I2886 VanDerWaalsContact CA-O 3.31Å; A2868-I2886 WeakPolarHBondContact CA-O 3.22Å; A2868-I2886 WeakPolarHBondContact CB-O 3.33Å; L2869-I2886 HydrophobicContact CB-CB 4.29Å; L2869-I2886 PolarHBondContact N-O 3.3Å; L2869-I2886 PolarHBondContact O-N 2.91Å; F2871-I2886 HydrophobicContact CE2-CD1 3.49Å; F2871-I2886 VanDerWaalsContact CE2-CD1 3.49Å; F2871-I2886 HydrophobicContact CE2-CG1 3.9Å; F2871-I2886 HydrophobicContact CZ-CD1 3.78Å; N2884-I2886 HydrophobicContact CB-CD1 3.9Å; N2884-I2886 HydrophobicContact CB-CG1 3.43Å; N2884-I2886 VanDerWaalsContact CB-CG1 3.43Å; N2884-I2886 WeakPolarHBondContact O-CG1 3.33Å; N2884-I2886 PolarHBondContact O-N 3.41Å; I2886-L2888 PolarHBondContact O-N 3.42Å |
| 2887 | D | 60.8 | Low | 61.4 | Low | 42.5 Ų | 42.5 | 52.4 Ų | 52.4 | 23% | 0.227 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 117.8 | 172 | -83.3 | -7 | 0 | 0 | 0 | 110.2 | K2776 N2785 Y2786 Y2787 H2885 S2889 | K2776-D2887 HydrophobicContact CD-CB 4.44Å; K2776-D2887 WeakPolarHBondContact CE-OD2 3.25Å; K2776-D2887 VanDerWaalsContact NZ-CB 3.29Å; K2776-D2887 IonicContact NZ-OD2 3.26Å; K2776-D2887 PolarHBondContact NZ-OD2 3.38Å; N2785-D2887 PolarHBondContact ND2-OD2 3.35Å; Y2786-D2887 WeakPolarHBondContact CE1-OD2 3.49Å; Y2786-D2887 PolarHBondContact OH-OD1 3.35Å; Y2786-D2887 PolarHBondContact OH-OD2 3.31Å; Y2787-D2887 WeakPolarHBondContact CE1-OD1 2.96Å; Y2787-D2887 VanDerWaalsContact CZ-OD1 3.24Å; Y2787-D2887 PolarHBondContact OH-OD1 3.46Å; Y2787-D2887 PolarHBondContact OH-OD2 3.24Å; H2885-D2887 VanDerWaalsContact C-N 3.25Å; H2885-D2887 PolarHBondContact O-N 3.1Å; D2887-S2889 VanDerWaalsContact C-N 3.3Å; D2887-S2889 PolarHBondContact O-N 3.33Å |
| 2888 | L | 62.3 | Low | 62.6 | Low | 13 Ų | 13 | 55.8 Ų | 55.8 | 7% | 0.068 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 98.2 | 171 | -70.6 | 159.5 | 0 | 0 | 0 | 110.2 | L2673 I2674 M2677 I2867 A2868 L2869 I2886 K2890 F2892 | L2673-L2888 HydrophobicContact CB-CD1 4.35Å; L2673-L2888 HydrophobicContact CB-CD2 3.99Å; L2673-L2888 HydrophobicContact CD1-CD1 3.92Å; L2673-L2888 HydrophobicContact CD2-CD1 3.46Å; L2673-L2888 VanDerWaalsContact CD2-CD1 3.46Å; L2673-L2888 HydrophobicContact CD2-CD2 3.8Å; L2673-L2888 HydrophobicContact CD2-CG 4.25Å; L2673-L2888 HydrophobicContact CG-CD1 4.07Å; L2673-L2888 HydrophobicContact CG-CD2 4.42Å; I2674-L2888 HydrophobicContact CG1-CD1 3.97Å; M2677-L2888 HydrophobicContact CB-CD2 3.27Å; M2677-L2888 HydrophobicContact CG-CD2 3.83Å; M2677-L2888 HydrophobicContact SD-CD2 3.48Å; M2677-L2888 WeakPolarHBondContact SD-CD2 3.45Å; M2677-L2888 HydrophobicContact SD-CG 4.23Å; I2867-L2888 HydrophobicContact CB-CD1 4.05Å; I2867-L2888 HydrophobicContact CG2-CD1 4.19Å; I2867-L2888 VanDerWaalsContact O-CB 3.29Å; I2867-L2888 WeakPolarHBondContact O-CB 3.11Å; I2867-L2888 WeakPolarHBondContact O-CD1 3.03Å; I2867-L2888 PolarHBondContact O-N 3.25Å; A2868-L2888 VanDerWaalsContact CA-O 3.28Å; A2868-L2888 WeakPolarHBondContact CA-O 3.24Å; L2869-L2888 HydrophobicContact CB-CB 4.17Å; L2869-L2888 HydrophobicContact CB-CD1 4.22Å; L2869-L2888 HydrophobicContact CD2-CD1 4.01Å; I2886-L2888 PolarHBondContact O-N 3.42Å; L2888-K2890 PolarHBondContact O-N 2.79Å; L2888-F2892 HydrophobicContact CB-CE2 4.48Å; L2888-F2892 HydrophobicContact CD1-CE2 4.22Å; L2888-F2892 HydrophobicContact CD1-CZ 4.3Å |
| 2889 | S | 66.5 | Low | 63.9 | Low | 68.5 Ų | 68.5 | 54.2 Ų | 54.2 | 48% | 0.479 | 27% | 0.274 | S | S | . | . | trans | -81.2 | 67.2 | 179.1 | 58.6 | 0 | 0 | 0 | 0 | 113.8 | I2867 D2887 | I2867-S2889 CarbonylContact O-C 3.48Å; I2867-S2889 VanDerWaalsContact O-CA 3.26Å; I2867-S2889 WeakPolarHBondContact O-CA 3.31Å; D2887-S2889 VanDerWaalsContact C-N 3.3Å; D2887-S2889 PolarHBondContact O-N 3.33Å | ||
| 2890 | K | 71.7 | Confident | 65.6 | Low | 48 Ų | 48 | 49 Ų | 49 | 21% | 0.209 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 139.4 | 176.2 | -175.6 | 170.3 | -179.2 | 169.2 | 0 | 110.6 | L2673 E2676 Q2866 I2867 L2888 F2892 D2949 | L2673-K2890 HydrophobicContact CD2-CB 3.75Å; E2676-K2890 IonicContact OE1-NZ 3.1Å; E2676-K2890 PolarHBondContact OE1-NZ 3.03Å; E2676-K2890 VanDerWaalsContact OE1-NZ 3.08Å; Q2866-K2890 WeakPolarHBondContact CA-O 3.29Å; I2867-K2890 PolarHBondContact N-O 3.37Å; I2867-K2890 PolarHBondContact O-N 2.9Å; L2888-K2890 PolarHBondContact O-N 2.79Å; K2890-F2892 HydrophobicContact CB-CD2 4.34Å; K2890-F2892 HydrophobicContact CB-CE2 3.98Å; K2890-F2892 HydrophobicContact CB-CZ 4.16Å; K2890-F2892 HydrophobicContact CD-CE2 4.28Å; K2890-F2892 HydrophobicContact CD-CZ 3.97Å; K2890-F2892 HydrophobicContact CG-CD2 4.31Å; K2890-F2892 HydrophobicContact CG-CE2 3.8Å; K2890-F2892 HydrophobicContact CG-CZ 4.02Å; K2890-F2892 VanDerWaalsContact O-CD2 3.24Å; K2890-F2892 WeakPolarHBondContact O-CD2 3.17Å; K2890-F2892 WeakPolarHBondContact O-CE2 3.04Å; K2890-D2949 VanDerWaalsContact NZ-CG 3.3Å; K2890-D2949 IonicContact NZ-OD2 3.19Å; K2890-D2949 PolarHBondContact NZ-OD2 3Å |
| 2891 | R | 75.3 | Confident | 67.5 | Low | 78.5 Ų | 78.5 | 47.5 Ų | 47.5 | 30% | 0.296 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 136.1 | 171.4 | -116.6 | -178.4 | 126 | 169 | 9.2 | 109.6 | H2864 L2865 Q2866 D2904 T2906 L2907 | H2864-R2891 VanDerWaalsContact CA-NH2 3.31Å; H2864-R2891 PolarHBondContact CD2-NH1 3.22Å; H2864-R2891 VanDerWaalsContact CD2-NH1 3.25Å; H2864-R2891 PolarHBondContact CD2-NH2 3.35Å; H2864-R2891 PolarHBondContact NE2-NH1 3.3Å; L2865-R2891 VanDerWaalsContact O-CA 3.29Å; L2865-R2891 WeakPolarHBondContact O-CA 3.48Å; L2865-R2891 VanDerWaalsContact O-CG 3.31Å; L2865-R2891 WeakPolarHBondContact O-CG 3.38Å; Q2866-R2891 HydrophobicContact CG-CG 4.29Å; R2891-D2904 IonicContact CZ-OD1 3.67Å; R2891-D2904 IonicContact CZ-OD2 3.3Å; R2891-D2904 VanDerWaalsContact CZ-OD2 3.3Å; R2891-D2904 IonicContact NE-OD1 2.86Å; R2891-D2904 IonicContact NE-OD2 3.11Å; R2891-D2904 PolarHBondContact NE-OD2 3.05Å; R2891-D2904 VanDerWaalsContact NH2-CG 3.27Å; R2891-D2904 IonicContact NH2-OD1 3.52Å; R2891-D2904 PolarHBondContact NH2-OD1 2.82Å; R2891-D2904 IonicContact NH2-OD2 3.13Å; R2891-D2904 PolarHBondContact NH2-OD2 3Å; R2891-T2906 VanDerWaalsContact CZ-OG1 3.29Å; R2891-T2906 PolarHBondContact NH2-OG1 3.02Å; R2891-L2907 HydrophobicContact CB-CD1 3.76Å; R2891-L2907 HydrophobicContact CG-CD1 3.83Å |
| 2892 | F | 75.9 | Confident | 69.3 | Low | 12.5 Ų | 12.5 | 46.1 Ų | 46.1 | 6% | 0.055 | 23% | 0.231 | C | C | . | . | trans | -116 | 146.8 | -180 | -71 | -93.6 | 0 | 0 | 0 | 110.3 | I2669 L2673 L2865 I2867 L2888 K2890 G2894 D2904 | I2669-F2892 HydrophobicContact CD1-CE1 4.08Å; I2669-F2892 HydrophobicContact CD1-CZ 4.07Å; L2673-F2892 HydrophobicContact CD2-CE1 4.47Å; L2673-F2892 HydrophobicContact CD2-CE2 4.48Å; L2673-F2892 HydrophobicContact CD2-CZ 3.83Å; L2865-F2892 HydrophobicContact CD2-CB 4.48Å; L2865-F2892 PolarHBondContact O-N 3.03Å; I2867-F2892 HydrophobicContact CB-CD2 4.05Å; I2867-F2892 HydrophobicContact CB-CE2 3.96Å; I2867-F2892 HydrophobicContact CD1-CB 4.24Å; I2867-F2892 HydrophobicContact CD1-CD1 4.31Å; I2867-F2892 HydrophobicContact CD1-CD2 3.53Å; I2867-F2892 HydrophobicContact CD1-CE1 4.39Å; I2867-F2892 HydrophobicContact CD1-CE2 3.89Å; I2867-F2892 HydrophobicContact CD1-CG 3.77Å; I2867-F2892 HydrophobicContact CD1-CZ 4.34Å; I2867-F2892 HydrophobicContact CG1-CD2 3.72Å; I2867-F2892 HydrophobicContact CG1-CE2 4.12Å; I2867-F2892 HydrophobicContact CG1-CG 4.36Å; L2888-F2892 HydrophobicContact CB-CE2 4.48Å; L2888-F2892 HydrophobicContact CD1-CE2 4.22Å; L2888-F2892 HydrophobicContact CD1-CZ 4.3Å; K2890-F2892 HydrophobicContact CB-CD2 4.34Å; K2890-F2892 HydrophobicContact CB-CE2 3.98Å; K2890-F2892 HydrophobicContact CB-CZ 4.16Å; K2890-F2892 HydrophobicContact CD-CE2 4.28Å; K2890-F2892 HydrophobicContact CD-CZ 3.97Å; K2890-F2892 HydrophobicContact CG-CD2 4.31Å; K2890-F2892 HydrophobicContact CG-CE2 3.8Å; K2890-F2892 HydrophobicContact CG-CZ 4.02Å; K2890-F2892 VanDerWaalsContact O-CD2 3.24Å; K2890-F2892 WeakPolarHBondContact O-CD2 3.17Å; K2890-F2892 WeakPolarHBondContact O-CE2 3.04Å; F2892-G2894 VanDerWaalsContact C-N 3.28Å; F2892-G2894 PolarHBondContact O-N 3.34Å; F2892-D2904 VanDerWaalsContact O-CB 3.28Å; F2892-D2904 WeakPolarHBondContact O-CB 3.46Å | ||
| 2893 | I | 79.5 | Confident | 71.3 | Confident | 16.5 Ų | 16.5 | 37.1 Ų | 37.1 | 9% | 0.085 | 19% | 0.192 | C | C | . | . | S | Bend | trans | -64 | -38 | 174 | -169.5 | 166.9 | 0 | 0 | 0 | 111 | L2903 D2904 L2907 I2911 N2950 | I2893-L2903 VanDerWaalsContact O-CD1 3.3Å; I2893-L2903 WeakPolarHBondContact O-CD1 3.42Å; I2893-D2904 PolarHBondContact O-N 3.39Å; I2893-L2907 HydrophobicContact CB-CB 4.33Å; I2893-L2907 HydrophobicContact CG1-CB 4.16Å; I2893-I2911 HydrophobicContact CD1-CD1 4.01Å; I2893-I2911 HydrophobicContact CG1-CD1 4.45Å; I2893-N2950 WeakPolarHBondContact CD1-O 3.3Å |
| 2894 | G | 79.3 | Confident | 73.1 | Confident | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -161.1 | -179.7 | 168.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | F2892 F2902 Q2955 | F2892-G2894 VanDerWaalsContact C-N 3.28Å; F2892-G2894 PolarHBondContact O-N 3.34Å; G2894-F2902 CarbonylContact C-O 3.51Å; G2894-F2902 WeakPolarHBondContact CA-O 3.27Å; G2894-Q2955 PolarHBondContact O-NE2 3.18Å; G2894-Q2955 PolarHBondContact O-OE1 3.36Å |
| 2895 | C | 80.7 | Confident | 74.6 | Confident | 9.5 Ų | 9.5 | 29.2 Ų | 29.2 | 6% | 0.064 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -160.9 | 145.1 | 168.2 | 59.8 | 0 | 0 | 0 | 0 | 110.8 | I2867 L2897 F2902 | I2867-C2895 HydrophobicContact CD1-CB 3.55Å; I2867-C2895 VanDerWaalsContact CD1-CB 3.42Å; I2867-C2895 HydrophobicContact CG1-CB 4.44Å; C2895-L2897 HydrophobicContact CB-CG 4.35Å; C2895-F2902 PolarHBondContact N-O 3.08Å; C2895-F2902 PolarHBondContact O-N 3.39Å |
| 2896 | L | 79.9 | Confident | 75.9 | Confident | 6.5 Ų | 6.5 | 27.5 Ų | 27.5 | 3% | 0.034 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 118.1 | 167.4 | -173.8 | 63.3 | 0 | 0 | 0 | 107.6 | L2810 K2900 L2901 I2956 F2959 I2960 | L2810-L2896 HydrophobicContact CD1-CD1 4.08Å; L2810-L2896 HydrophobicContact CD1-CD2 4.4Å; L2810-L2896 HydrophobicContact CD2-CD1 4.44Å; L2896-K2900 WeakPolarHBondContact CA-O 3.4Å; L2896-K2900 WeakPolarHBondContact CD1-O 3.33Å; L2896-L2901 HydrophobicContact CB-CD1 4.43Å; L2896-L2901 HydrophobicContact CD1-CB 4.22Å; L2896-I2956 HydrophobicContact CB-CG1 4.32Å; L2896-I2956 HydrophobicContact CD2-CB 4.49Å; L2896-I2956 HydrophobicContact CD2-CG1 4.44Å; L2896-I2956 HydrophobicContact CD2-CG2 4.06Å; L2896-F2959 HydrophobicContact CB-CB 4.07Å; L2896-F2959 HydrophobicContact CB-CD1 4.15Å; L2896-F2959 HydrophobicContact CB-CD2 4.49Å; L2896-F2959 HydrophobicContact CB-CG 3.99Å; L2896-F2959 HydrophobicContact CD2-CB 4.02Å; L2896-F2959 HydrophobicContact CD2-CD1 3.43Å; L2896-F2959 HydrophobicContact CD2-CE1 4.01Å; L2896-F2959 HydrophobicContact CD2-CG 4.06Å; L2896-F2959 HydrophobicContact CG-CB 4.15Å; L2896-F2959 HydrophobicContact CG-CD1 3.66Å; L2896-F2959 HydrophobicContact CG-CD2 4.31Å; L2896-F2959 HydrophobicContact CG-CE1 4.01Å; L2896-F2959 HydrophobicContact CG-CG 4.02Å; L2896-F2959 WeakPolarHBondContact O-CD2 3.42Å; L2896-F2959 WeakPolarHBondContact O-CE2 3.39Å; L2896-F2959 WeakPolarHBondContact O-CG 3.42Å; L2896-I2960 HydrophobicContact CD2-CD1 4.5Å; L2896-I2960 HydrophobicContact CD2-CG1 4.38Å |
| 2897 | L | 75.4 | Confident | 76.8 | Confident | 16 Ų | 16 | 29.9 Ų | 29.9 | 8% | 0.084 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 124.4 | -179.2 | -88.9 | 162.2 | 0 | 0 | 0 | 108.8 | L2773 I2775 P2790 I2867 C2895 G2899 K2900 F2902 | L2773-L2897 HydrophobicContact CB-CD2 3.97Å; L2773-L2897 HydrophobicContact CD1-CD2 4.11Å; I2775-L2897 HydrophobicContact CD1-CD1 4.38Å; I2775-L2897 HydrophobicContact CG1-CD1 4.05Å; P2790-L2897 HydrophobicContact CG-CB 4.27Å; I2867-L2897 HydrophobicContact CG2-CD1 4.5Å; C2895-L2897 HydrophobicContact CB-CG 4.35Å; L2897-G2899 PolarHBondContact O-N 2.94Å; L2897-G2899 VanDerWaalsContact O-N 3.17Å; L2897-K2900 PolarHBondContact N-O 3.19Å; L2897-K2900 PolarHBondContact O-N 3.17Å; L2897-F2902 HydrophobicContact CB-CD2 4.32Å; L2897-F2902 HydrophobicContact CB-CE2 4Å |
| 2898 | N | 70.8 | Confident | 77.6 | Confident | 86 Ų | 86 | 27.9 Ų | 27.9 | 46% | 0.46 | 15% | 0.151 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 49 | 42 | -179 | -58.8 | -14.1 | 0 | 0 | 0 | 113.5 | P2790 N2791 K2900 | P2790-N2898 HydrophobicContact CB-CB 4.08Å; N2791-N2898 PolarHBondContact OD1-ND2 3.2Å; N2898-K2900 VanDerWaalsContact C-N 3.27Å; N2898-K2900 PolarHBondContact O-N 3.14Å |
| 2899 | G | 71.5 | Confident | 78.2 | Confident | 8 Ų | 8 | 29.1 Ų | 29.1 | 8% | 0.082 | 16% | 0.163 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 76.1 | 5.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | L2897 | L2897-G2899 PolarHBondContact O-N 2.94Å; L2897-G2899 VanDerWaalsContact O-N 3.17Å |
| 2900 | K | 81.9 | Confident | 78.8 | Confident | 39 Ų | 39 | 31.5 Ų | 31.5 | 17% | 0.17 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 132.6 | 176.3 | -65.6 | 176 | -180 | 179.4 | 0 | 110.9 | Y2787 P2790 F2794 N2858 F2860 L2896 L2897 N2898 F2902 | Y2787-K2900 PolarHBondContact OH-NZ 3.03Å; P2790-K2900 PolarHBondContact O-NZ 3.09Å; P2790-K2900 VanDerWaalsContact O-NZ 3.08Å; F2794-K2900 VanDerWaalsContact CD2-NZ 3.33Å; F2794-K2900 VanDerWaalsContact CE2-NZ 3.32Å; N2858-K2900 CarbonylContact O-C 3.56Å; N2858-K2900 VanDerWaalsContact O-CA 3.25Å; N2858-K2900 WeakPolarHBondContact O-CA 3.25Å; F2860-K2900 HydrophobicContact CD2-CB 4.47Å; F2860-K2900 HydrophobicContact CE2-CB 4.34Å; F2860-K2900 HydrophobicContact CE2-CD 3.98Å; F2860-K2900 HydrophobicContact CE2-CG 4.24Å; L2896-K2900 WeakPolarHBondContact CA-O 3.4Å; L2896-K2900 WeakPolarHBondContact CD1-O 3.33Å; L2897-K2900 PolarHBondContact N-O 3.19Å; L2897-K2900 PolarHBondContact O-N 3.17Å; N2898-K2900 VanDerWaalsContact C-N 3.27Å; N2898-K2900 PolarHBondContact O-N 3.14Å; K2900-F2902 HydrophobicContact CB-CE1 4.3Å; K2900-F2902 HydrophobicContact CB-CE2 3.66Å; K2900-F2902 HydrophobicContact CB-CZ 3.5Å; K2900-F2902 VanDerWaalsContact CB-CZ 3.5Å; K2900-F2902 HydrophobicContact CD-CZ 4.23Å; K2900-F2902 HydrophobicContact CG-CZ 4.49Å; K2900-F2902 WeakPolarHBondContact O-CD2 3.31Å; K2900-F2902 VanDerWaalsContact O-CE2 3.26Å; K2900-F2902 WeakPolarHBondContact O-CE2 3.31Å |
| 2901 | L | 85.7 | Confident | 79.2 | Confident | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 126.8 | 178.6 | -179.3 | 63.7 | 0 | 0 | 0 | 109.9 | L2806 F2809 L2810 N2858 A2859 F2860 L2896 L2952 I2956 | L2806-L2901 HydrophobicContact CD1-CD2 3.9Å; L2806-L2901 HydrophobicContact CD2-CD2 4.23Å; L2806-L2901 HydrophobicContact CD2-CG 4.42Å; L2806-L2901 HydrophobicContact CG-CD2 3.83Å; F2809-L2901 HydrophobicContact CD1-CD2 4.19Å; F2809-L2901 HydrophobicContact CE1-CD2 4.37Å; L2810-L2901 HydrophobicContact CB-CD2 4.04Å; L2810-L2901 HydrophobicContact CD1-CB 4.27Å; L2810-L2901 HydrophobicContact CD1-CD2 4.22Å; L2810-L2901 HydrophobicContact CD2-CB 3.84Å; L2810-L2901 HydrophobicContact CG-CB 4.47Å; N2858-L2901 PolarHBondContact O-N 2.93Å; A2859-L2901 CarbonylContact C-O 3.53Å; A2859-L2901 VanDerWaalsContact CA-O 3.28Å; A2859-L2901 WeakPolarHBondContact CA-O 3.26Å; A2859-L2901 HydrophobicContact CB-CB 4.26Å; F2860-L2901 PolarHBondContact N-O 2.94Å; L2896-L2901 HydrophobicContact CB-CD1 4.43Å; L2896-L2901 HydrophobicContact CD1-CB 4.22Å; L2901-L2952 HydrophobicContact CD1-CD1 4.18Å; L2901-I2956 HydrophobicContact CD1-CD1 4.09Å; L2901-I2956 HydrophobicContact CD1-CG1 4.18Å; L2901-I2956 HydrophobicContact CD2-CD1 4.43Å |
| 2902 | F | 83.9 | Confident | 79.4 | Confident | 0.5 Ų | 0.5 | 29.5 Ų | 29.5 | 0% | 0.002 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 130.3 | 176 | -55.6 | -76 | 0 | 0 | 0 | 108.6 | I2775 Y2787 M2800 F2860 V2862 L2865 G2894 C2895 L2897 K2900 | I2775-F2902 HydrophobicContact CD1-CB 4.23Å; I2775-F2902 HydrophobicContact CD1-CD1 3.74Å; I2775-F2902 HydrophobicContact CD1-CD2 3.42Å; I2775-F2902 VanDerWaalsContact CD1-CD2 3.42Å; I2775-F2902 HydrophobicContact CD1-CE1 3.91Å; I2775-F2902 HydrophobicContact CD1-CE2 3.56Å; I2775-F2902 HydrophobicContact CD1-CG 3.48Å; I2775-F2902 VanDerWaalsContact CD1-CG 3.48Å; I2775-F2902 HydrophobicContact CD1-CZ 3.79Å; Y2787-F2902 HydrophobicContact CE1-CZ 4.24Å; M2800-F2902 HydrophobicContact CE-CD1 3.27Å; M2800-F2902 HydrophobicContact CE-CE1 3.03Å; M2800-F2902 HydrophobicContact CE-CG 4.36Å; M2800-F2902 HydrophobicContact CE-CZ 3.97Å; M2800-F2902 HydrophobicContact SD-CD1 4.46Å; M2800-F2902 HydrophobicContact SD-CE1 3.95Å; F2860-F2902 HydrophobicContact CB-CD1 3.92Å; F2860-F2902 HydrophobicContact CB-CE1 4.13Å; F2860-F2902 HydrophobicContact CD2-CD1 4.17Å; F2860-F2902 AromaticContact CD2-CE1 3.64Å; F2860-F2902 HydrophobicContact CD2-CE1 3.64Å; F2860-F2902 HydrophobicContact CD2-CZ 4.41Å; F2860-F2902 HydrophobicContact CE2-CE1 4.39Å; F2860-F2902 HydrophobicContact CG-CD1 4.43Å; F2860-F2902 HydrophobicContact CG-CE1 4.14Å; F2860-F2902 WeakPolarHBondContact O-CA 3.35Å; V2862-F2902 HydrophobicContact CG2-CB 4.24Å; V2862-F2902 HydrophobicContact CG2-CD1 3.96Å; L2865-F2902 HydrophobicContact CD1-CB 4.01Å; L2865-F2902 HydrophobicContact CD2-CB 4.06Å; G2894-F2902 CarbonylContact C-O 3.51Å; G2894-F2902 WeakPolarHBondContact CA-O 3.27Å; C2895-F2902 PolarHBondContact N-O 3.08Å; C2895-F2902 PolarHBondContact O-N 3.39Å; L2897-F2902 HydrophobicContact CB-CD2 4.32Å; L2897-F2902 HydrophobicContact CB-CE2 4Å; K2900-F2902 HydrophobicContact CB-CE1 4.3Å; K2900-F2902 HydrophobicContact CB-CE2 3.66Å; K2900-F2902 HydrophobicContact CB-CZ 3.5Å; K2900-F2902 VanDerWaalsContact CB-CZ 3.5Å; K2900-F2902 HydrophobicContact CD-CZ 4.23Å; K2900-F2902 HydrophobicContact CG-CZ 4.49Å; K2900-F2902 WeakPolarHBondContact O-CD2 3.31Å; K2900-F2902 VanDerWaalsContact O-CE2 3.26Å; K2900-F2902 WeakPolarHBondContact O-CE2 3.31Å |
| 2903 | L | 86.1 | Confident | 79.5 | Confident | 0.5 Ų | 0.5 | 31 Ų | 31 | 0% | 0.003 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 132.7 | 177.5 | -172.7 | 78.2 | 0 | 0 | 0 | 109.3 | L2806 F2860 L2861 V2862 I2893 S2905 I2911 F2912 L2952 | L2806-L2903 HydrophobicContact CD1-CD2 4.23Å; L2806-L2903 HydrophobicContact CD2-CB 3.62Å; L2806-L2903 HydrophobicContact CD2-CD2 4.19Å; L2806-L2903 HydrophobicContact CD2-CG 4.49Å; F2860-L2903 PolarHBondContact O-N 3.33Å; L2861-L2903 WeakPolarHBondContact CA-O 3.39Å; L2861-L2903 HydrophobicContact CD1-CD2 4.23Å; L2861-L2903 HydrophobicContact CD2-CB 4.27Å; L2861-L2903 HydrophobicContact CD2-CD2 3.95Å; L2861-L2903 HydrophobicContact CD2-CG 4.5Å; V2862-L2903 PolarHBondContact N-O 3.29Å; I2893-L2903 VanDerWaalsContact O-CD1 3.3Å; I2893-L2903 WeakPolarHBondContact O-CD1 3.42Å; L2903-S2905 PolarHBondContact O-N 3.08Å; L2903-I2911 HydrophobicContact CD1-CD1 4.38Å; L2903-F2912 HydrophobicContact CD2-CB 4.37Å; L2903-L2952 HydrophobicContact CD1-CD1 3.93Å; L2903-L2952 HydrophobicContact CD1-CD2 4.02Å |
| 2904 | D | 86.3 | Confident | 79.4 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 126 | 172.8 | -172.5 | -71.5 | 0 | 0 | 0 | 109.9 | V2862 H2864 L2865 R2891 F2892 I2893 T2906 L2907 G2908 | V2862-D2904 WeakPolarHBondContact O-CA 3.36Å; H2864-D2904 WeakPolarHBondContact CA-OD2 3.23Å; L2865-D2904 HydrophobicContact CB-CB 3.87Å; L2865-D2904 PolarHBondContact N-OD2 3.28Å; R2891-D2904 IonicContact CZ-OD1 3.67Å; R2891-D2904 IonicContact CZ-OD2 3.3Å; R2891-D2904 VanDerWaalsContact CZ-OD2 3.3Å; R2891-D2904 IonicContact NE-OD1 2.86Å; R2891-D2904 IonicContact NE-OD2 3.11Å; R2891-D2904 PolarHBondContact NE-OD2 3.05Å; R2891-D2904 VanDerWaalsContact NH2-CG 3.27Å; R2891-D2904 IonicContact NH2-OD1 3.52Å; R2891-D2904 PolarHBondContact NH2-OD1 2.82Å; R2891-D2904 IonicContact NH2-OD2 3.13Å; R2891-D2904 PolarHBondContact NH2-OD2 3Å; F2892-D2904 VanDerWaalsContact O-CB 3.28Å; F2892-D2904 WeakPolarHBondContact O-CB 3.46Å; I2893-D2904 PolarHBondContact O-N 3.39Å; D2904-T2906 PolarHBondContact O-N 2.93Å; D2904-T2906 VanDerWaalsContact O-N 3.16Å; D2904-T2906 WeakPolarHBondContact OD1-CA 3.3Å; D2904-T2906 WeakPolarHBondContact OD1-CB 3.29Å; D2904-T2906 PolarHBondContact OD1-N 3.2Å; D2904-T2906 PolarHBondContact OD1-OG1 3.09Å; D2904-L2907 HydrophobicContact CB-CB 4.11Å; D2904-L2907 PolarHBondContact OD1-N 2.99Å; D2904-G2908 VanDerWaalsContact O-CA 3.29Å; D2904-G2908 WeakPolarHBondContact O-CA 3.21Å; D2904-G2908 PolarHBondContact O-N 3.08Å |
| 2905 | S | 81.9 | Confident | 79.3 | Confident | 40.5 Ų | 40.5 | 32 Ų | 32 | 28% | 0.283 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -27.2 | -179.2 | 62.1 | 0 | 0 | 0 | 0 | 113.9 | V2862 D2863 L2903 | V2862-S2905 PolarHBondContact O-N 3.01Å; D2863-S2905 WeakPolarHBondContact CA-OG 3.3Å; D2863-S2905 PolarHBondContact OD1-OG 2.81Å; L2903-S2905 PolarHBondContact O-N 3.08Å |
| 2906 | T | 79.9 | Confident | 79.2 | Confident | 64.5 Ų | 64.5 | 34.7 Ų | 34.7 | 40% | 0.396 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -103.4 | -46.2 | -174 | 72.3 | 0 | 0 | 0 | 0 | 112.6 | R2891 D2904 A2909 | R2891-T2906 VanDerWaalsContact CZ-OG1 3.29Å; R2891-T2906 PolarHBondContact NH2-OG1 3.02Å; D2904-T2906 PolarHBondContact O-N 2.93Å; D2904-T2906 VanDerWaalsContact O-N 3.16Å; D2904-T2906 WeakPolarHBondContact OD1-CA 3.3Å; D2904-T2906 WeakPolarHBondContact OD1-CB 3.29Å; D2904-T2906 PolarHBondContact OD1-N 3.2Å; D2904-T2906 PolarHBondContact OD1-OG1 3.09Å; T2906-A2909 VanDerWaalsContact O-CB 3.31Å; T2906-A2909 WeakPolarHBondContact O-CB 3.32Å; T2906-A2909 PolarHBondContact O-N 2.67Å |
| 2907 | L | 77.8 | Confident | 78.9 | Confident | 77 Ų | 77 | 38.7 Ų | 38.7 | 40% | 0.403 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74 | -37.5 | 178.9 | -64.4 | 177.3 | 0 | 0 | 0 | 110.4 | R2891 I2893 D2904 A2909 | R2891-L2907 HydrophobicContact CB-CD1 3.76Å; R2891-L2907 HydrophobicContact CG-CD1 3.83Å; I2893-L2907 HydrophobicContact CB-CB 4.33Å; I2893-L2907 HydrophobicContact CG1-CB 4.16Å; D2904-L2907 HydrophobicContact CB-CB 4.11Å; D2904-L2907 PolarHBondContact OD1-N 2.99Å; L2907-A2909 VanDerWaalsContact C-N 3.29Å; L2907-A2909 PolarHBondContact O-N 3.26Å |
| 2908 | G | 77 | Confident | 78.5 | Confident | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.1 | 7.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | D2904 N2910 I2911 F2912 | D2904-G2908 VanDerWaalsContact O-CA 3.29Å; D2904-G2908 WeakPolarHBondContact O-CA 3.21Å; D2904-G2908 PolarHBondContact O-N 3.08Å; G2908-N2910 VanDerWaalsContact C-N 3.25Å; G2908-N2910 PolarHBondContact O-N 3.19Å; G2908-I2911 WeakPolarHBondContact O-CB 3.4Å; G2908-I2911 PolarHBondContact O-N 3Å; G2908-F2912 PolarHBondContact O-N 3.04Å |
| 2909 | A | 76.3 | Confident | 78.2 | Confident | 39.5 Ų | 39.5 | 39.7 Ų | 39.7 | 33% | 0.326 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -55.8 | -37.7 | -173.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | T2906 L2907 F2912 A2913 | T2906-A2909 VanDerWaalsContact O-CB 3.31Å; T2906-A2909 WeakPolarHBondContact O-CB 3.32Å; T2906-A2909 PolarHBondContact O-N 2.67Å; L2907-A2909 VanDerWaalsContact C-N 3.29Å; L2907-A2909 PolarHBondContact O-N 3.26Å; A2909-F2912 PolarHBondContact O-N 3.17Å; A2909-A2913 VanDerWaalsContact O-CB 3.24Å; A2909-A2913 WeakPolarHBondContact O-CB 3.42Å; A2909-A2913 PolarHBondContact O-N 3.26Å |
| 2910 | N | 78.1 | Confident | 77.6 | Confident | 118.5 Ų | 118.5 | 41.8 Ų | 41.8 | 63% | 0.634 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -66.4 | -41.2 | 177.4 | -71.2 | -17.7 | 0 | 0 | 0 | 112.5 | G2908 A2913 N2914 | G2908-N2910 VanDerWaalsContact C-N 3.25Å; G2908-N2910 PolarHBondContact O-N 3.19Å; N2910-A2913 PolarHBondContact O-N 2.84Å; N2910-N2914 VanDerWaalsContact O-CG 3.26Å; N2910-N2914 PolarHBondContact O-N 2.91Å; N2910-N2914 PolarHBondContact O-ND2 3.16Å |
| 2911 | I | 79.6 | Confident | 76.4 | Confident | 9 Ų | 9 | 46.3 Ų | 46.3 | 5% | 0.046 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -64.2 | -47.6 | 177.7 | -59.6 | 174.1 | 0 | 0 | 0 | 108.9 | I2893 L2903 G2908 A2913 N2914 L2915 L2952 | I2893-I2911 HydrophobicContact CD1-CD1 4.01Å; I2893-I2911 HydrophobicContact CG1-CD1 4.45Å; L2903-I2911 HydrophobicContact CD1-CD1 4.38Å; G2908-I2911 WeakPolarHBondContact O-CB 3.4Å; G2908-I2911 PolarHBondContact O-N 3Å; I2911-A2913 PolarHBondContact O-N 3.38Å; I2911-N2914 PolarHBondContact O-N 2.95Å; I2911-L2915 HydrophobicContact CG2-CD1 3.98Å; I2911-L2915 VanDerWaalsContact O-CG 3.31Å; I2911-L2915 WeakPolarHBondContact O-CG 3.4Å; I2911-L2915 PolarHBondContact O-N 3.28Å; I2911-L2952 HydrophobicContact CD1-CB 4Å; I2911-L2952 HydrophobicContact CD1-CD2 4.04Å; I2911-L2952 HydrophobicContact CG2-CD2 4.39Å |
| 2912 | F | 79.2 | Confident | 75 | Confident | 76 Ų | 76 | 53.5 Ų | 53.5 | 33% | 0.333 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -62.5 | -42.7 | 177.6 | -178.7 | -108.5 | 0 | 0 | 0 | 112.2 | C2803 L2861 L2903 G2908 A2909 N2914 L2915 S2916 | C2803-F2912 VanDerWaalsContact SG-CE2 3.58Å; L2861-F2912 HydrophobicContact CD1-CB 4.4Å; L2861-F2912 HydrophobicContact CD1-CD2 3.8Å; L2861-F2912 HydrophobicContact CD1-CE2 3.88Å; L2861-F2912 HydrophobicContact CD1-CG 3.96Å; L2861-F2912 HydrophobicContact CD1-CZ 4.04Å; L2861-F2912 HydrophobicContact CD2-CD2 4.13Å; L2861-F2912 HydrophobicContact CD2-CG 4.35Å; L2903-F2912 HydrophobicContact CD2-CB 4.37Å; G2908-F2912 PolarHBondContact O-N 3.04Å; A2909-F2912 PolarHBondContact O-N 3.17Å; F2912-N2914 VanDerWaalsContact C-N 3.34Å; F2912-N2914 PolarHBondContact O-N 3.07Å; F2912-L2915 PolarHBondContact O-N 3.31Å; F2912-S2916 VanDerWaalsContact O-CB 3.31Å; F2912-S2916 WeakPolarHBondContact O-CB 3.28Å; F2912-S2916 PolarHBondContact O-N 3.02Å; F2912-S2916 PolarHBondContact O-OG 3.33Å |
| 2913 | A | 78.3 | Confident | 73.9 | Confident | 43.5 Ų | 43.5 | 54 Ų | 54 | 36% | 0.36 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -58.2 | -45.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | A2909 N2910 I2911 S2916 Q2917 | A2909-A2913 VanDerWaalsContact O-CB 3.24Å; A2909-A2913 WeakPolarHBondContact O-CB 3.42Å; A2909-A2913 PolarHBondContact O-N 3.26Å; N2910-A2913 PolarHBondContact O-N 2.84Å; I2911-A2913 PolarHBondContact O-N 3.38Å; A2913-S2916 PolarHBondContact O-N 3.42Å; A2913-S2916 PolarHBondContact O-OG 3.18Å; A2913-Q2917 WeakPolarHBondContact O-CG 3.38Å |
| 2914 | N | 77.7 | Confident | 73.2 | Confident | 37 Ų | 37 | 54.4 Ų | 54.4 | 20% | 0.198 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -62.2 | -45.8 | 176.4 | -69.5 | -15 | 0 | 0 | 0 | 112.2 | N2910 I2911 F2912 S2916 Q2917 L2931 | N2910-N2914 VanDerWaalsContact O-CG 3.26Å; N2910-N2914 PolarHBondContact O-N 2.91Å; N2910-N2914 PolarHBondContact O-ND2 3.16Å; I2911-N2914 PolarHBondContact O-N 2.95Å; F2912-N2914 VanDerWaalsContact C-N 3.34Å; F2912-N2914 PolarHBondContact O-N 3.07Å; N2914-S2916 VanDerWaalsContact C-N 3.29Å; N2914-S2916 PolarHBondContact O-N 3.33Å; N2914-Q2917 WeakPolarHBondContact O-CB 3.39Å; N2914-Q2917 PolarHBondContact O-N 3.2Å; N2914-L2931 HydrophobicContact CB-CB 4.49Å; N2914-L2931 WeakPolarHBondContact CB-O 3.46Å; N2914-L2931 PolarHBondContact ND2-O 3.4Å |
| 2915 | L | 77.9 | Confident | 72.8 | Confident | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -67.1 | -30 | 179.4 | -67.6 | 172.9 | 0 | 0 | 0 | 112.7 | L2806 F2809 I2911 F2912 Q2917 Y2928 L2931 | L2806-L2915 HydrophobicContact CD1-CD1 3.87Å; F2809-L2915 HydrophobicContact CB-CD1 4.31Å; F2809-L2915 HydrophobicContact CB-CD2 4.18Å; I2911-L2915 HydrophobicContact CG2-CD1 3.98Å; I2911-L2915 VanDerWaalsContact O-CG 3.31Å; I2911-L2915 WeakPolarHBondContact O-CG 3.4Å; I2911-L2915 PolarHBondContact O-N 3.28Å; F2912-L2915 PolarHBondContact O-N 3.31Å; L2915-Q2917 VanDerWaalsContact C-N 3.26Å; L2915-Q2917 PolarHBondContact O-N 3.11Å; L2915-Y2928 HydrophobicContact CD2-CD1 3.93Å; L2915-Y2928 VanDerWaalsContact CD2-O 3.26Å; L2915-Y2928 WeakPolarHBondContact CD2-O 3.34Å; L2915-L2931 HydrophobicContact CD2-CB 4.36Å |
| 2916 | S | 77.1 | Confident | 72.6 | Confident | 67.5 Ų | 67.5 | 53.8 Ų | 53.8 | 47% | 0.472 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.9 | -10.6 | -180 | 73.5 | 0 | 0 | 0 | 0 | 114.4 | F2912 A2913 N2914 I2918 | F2912-S2916 VanDerWaalsContact O-CB 3.31Å; F2912-S2916 WeakPolarHBondContact O-CB 3.28Å; F2912-S2916 PolarHBondContact O-N 3.02Å; F2912-S2916 PolarHBondContact O-OG 3.33Å; A2913-S2916 PolarHBondContact O-N 3.42Å; A2913-S2916 PolarHBondContact O-OG 3.18Å; N2914-S2916 VanDerWaalsContact C-N 3.29Å; N2914-S2916 PolarHBondContact O-N 3.33Å; S2916-I2918 PolarHBondContact O-N 2.92Å |
| 2917 | Q | 73.3 | Confident | 72.4 | Confident | 89.5 Ų | 89.5 | 50.8 Ų | 50.8 | 42% | 0.418 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | -20.2 | 178.7 | -67 | 174.9 | 19.3 | 0 | 0 | 113 | A2913 N2914 L2915 I2993 | A2913-Q2917 WeakPolarHBondContact O-CG 3.38Å; N2914-Q2917 WeakPolarHBondContact O-CB 3.39Å; N2914-Q2917 PolarHBondContact O-N 3.2Å; L2915-Q2917 VanDerWaalsContact C-N 3.26Å; L2915-Q2917 PolarHBondContact O-N 3.11Å; Q2917-I2993 HydrophobicContact CB-CD1 4.17Å |
| 2918 | I | 67.6 | Low | 72.4 | Confident | 13.5 Ų | 13.5 | 47.1 Ų | 47.1 | 7% | 0.069 | 26% | 0.257 | C | S | . | . | S | Bend | trans | -110 | 134.1 | -179.9 | -62.1 | -174.2 | 0 | 0 | 0 | 109.5 | S2916 I2927 Y2928 L2931 I2993 | S2916-I2918 PolarHBondContact O-N 2.92Å; I2918-I2927 HydrophobicContact CD1-CB 4.37Å; I2918-I2927 HydrophobicContact CD1-CG2 3.22Å; I2918-Y2928 HydrophobicContact CB-CE1 4.34Å; I2918-Y2928 HydrophobicContact CG2-CE1 4.42Å; I2918-L2931 HydrophobicContact CD1-CD1 3.36Å; I2918-L2931 HydrophobicContact CG1-CD1 3.88Å; I2918-I2993 HydrophobicContact CD1-CG1 4.36Å; I2918-I2993 HydrophobicContact CG1-CG1 4.09Å |
| 2919 | L | 64.5 | Low | 72.7 | Confident | 109 Ų | 109 | 47.1 Ų | 47.1 | 57% | 0.571 | 26% | 0.257 | S | S | * | . | trans | -67.9 | 134.4 | 171.4 | -127 | 73.1 | 0 | 0 | 0 | 109.7 | D2921 Y2922 Y2928 | L2919-D2921 PolarHBondContact O-N 3.32Å; L2919-Y2922 HydrophobicContact CB-CD2 3.77Å; L2919-Y2922 HydrophobicContact CB-CE2 4.33Å; L2919-Y2922 HydrophobicContact CD2-CD2 4.2Å; L2919-Y2922 HydrophobicContact CD2-CE2 3.9Å; L2919-Y2922 PolarHBondContact O-N 3.03Å; L2919-Y2928 PolarHBondContact O-OH 3.05Å | ||
| 2920 | P | 58.4 | Low | 72.7 | Confident | 53.5 Ų | 53.5 | 45.4 Ų | 45.4 | 35% | 0.347 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -44.9 | -37.2 | -178.3 | -31.1 | 34.7 | 0 | 0 | 0 | 115 | R2804 T2805 Y2922 Y2928 | R2804-P2920 HydrophobicContact CG-CB 4.48Å; T2805-P2920 HydrophobicContact CG2-CG 4.23Å; P2920-Y2922 PolarHBondContact O-N 2.72Å; P2920-Y2928 WeakPolarHBondContact CA-OH 3.41Å; P2920-Y2928 PolarHBondContact O-OH 2.97Å |
| 2921 | D | 57.4 | Low | 72.7 | Confident | 132 Ų | 132 | 40 Ų | 40 | 71% | 0.706 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.4 | -15.5 | -171.4 | -59.6 | -32.6 | 0 | 0 | 0 | 114.4 | L2919 | L2919-D2921 PolarHBondContact O-N 3.32Š|
| 2922 | Y | 57.2 | Low | 72.5 | Confident | 151 Ų | 151 | 39.6 Ų | 39.6 | 59% | 0.592 | 21% | 0.211 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -110 | -14.4 | -174.6 | -61.5 | -72.7 | 0 | 0 | 0 | 114.1 | L2919 P2920 | L2919-Y2922 HydrophobicContact CB-CD2 3.77Å; L2919-Y2922 HydrophobicContact CB-CE2 4.33Å; L2919-Y2922 HydrophobicContact CD2-CD2 4.2Å; L2919-Y2922 HydrophobicContact CD2-CE2 3.9Å; L2919-Y2922 PolarHBondContact O-N 3.03Å; P2920-Y2922 PolarHBondContact O-N 2.72Å |
| 2923 | G | 59.2 | Low | 72.6 | Confident | 11.5 Ų | 11.5 | 36 Ų | 36 | 12% | 0.119 | 20% | 0.196 | C | C | . | . | trans | -88.7 | 136.1 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 2924 | T | 71.4 | Confident | 72.3 | Confident | 10 Ų | 10 | 37 Ų | 37 | 6% | 0.061 | 19% | 0.193 | C | C | . | . | trans | -83.4 | 156.9 | 167.7 | 65.9 | 0 | 0 | 0 | 0 | 110.8 | L2926 I2927 Y2928 L3027 C3028 P3029 | T2924-L2926 PolarHBondContact O-N 3.16Å; T2924-I2927 PolarHBondContact O-N 3.05Å; T2924-I2927 WeakPolarHBondContact OG1-CD1 3.25Å; T2924-I2927 VanDerWaalsContact OG1-CG1 3.31Å; T2924-I2927 WeakPolarHBondContact OG1-CG1 3.43Å; T2924-Y2928 VanDerWaalsContact O-CD2 3.24Å; T2924-Y2928 WeakPolarHBondContact O-CD2 3.33Å; T2924-Y2928 PolarHBondContact O-N 3.34Å; T2924-L3027 WeakPolarHBondContact CB-O 3.5Å; T2924-C3028 HydrophobicContact CG2-CB 4.47Å; T2924-P3029 HydrophobicContact CG2-CG 4.45Å | ||
| 2925 | Q | 78.9 | Confident | 72 | Confident | 27.5 Ų | 27.5 | 37.6 Ų | 37.6 | 13% | 0.129 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -58.3 | -35.1 | -178.5 | -70.8 | 176.5 | -3.5 | 0 | 0 | 112.3 | M2808 R2815 I2927 Y2928 L2929 L3027 | M2808-Q2925 HydrophobicContact CE-CG 3.6Å; M2808-Q2925 HydrophobicContact SD-CG 4.33Å; R2815-Q2925 VanDerWaalsContact CD-OE1 3.3Å; R2815-Q2925 VanDerWaalsContact NE-OE1 3.17Å; Q2925-I2927 VanDerWaalsContact C-N 3.33Å; Q2925-I2927 PolarHBondContact O-N 3.38Å; Q2925-Y2928 PolarHBondContact O-N 2.93Å; Q2925-L2929 WeakPolarHBondContact O-CB 3.48Å; Q2925-L2929 PolarHBondContact O-N 2.9Å; Q2925-L3027 HydrophobicContact CB-CD2 4.31Å; Q2925-L3027 PolarHBondContact N-O 2.9Å; Q2925-L3027 VanDerWaalsContact N-O 3.17Å |
| 2926 | L | 78.1 | Confident | 71.9 | Confident | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -61.8 | -39.3 | 175.8 | -174.7 | 59.3 | 0 | 0 | 0 | 112.4 | T2924 L2929 L2930 F2978 F2998 F3002 L3006 L3027 | T2924-L2926 PolarHBondContact O-N 3.16Å; L2926-L2929 HydrophobicContact CD1-CD2 4.45Å; L2926-L2929 WeakPolarHBondContact O-CB 3.38Å; L2926-L2929 PolarHBondContact O-N 2.95Å; L2926-L2930 HydrophobicContact CD1-CD1 4.37Å; L2926-L2930 HydrophobicContact CD1-CG 4.44Å; L2926-L2930 HydrophobicContact CG-CD1 4.12Å; L2926-L2930 VanDerWaalsContact O-CG 3.28Å; L2926-L2930 WeakPolarHBondContact O-CG 3.39Å; L2926-L2930 PolarHBondContact O-N 3.11Å; L2926-F2978 HydrophobicContact CD1-CE1 3.94Å; L2926-F2978 HydrophobicContact CD1-CZ 4.32Å; L2926-F2998 HydrophobicContact CB-CE2 4.37Å; L2926-F2998 HydrophobicContact CD2-CD2 4.32Å; L2926-F2998 HydrophobicContact CD2-CE1 4.45Å; L2926-F2998 HydrophobicContact CD2-CE2 4.03Å; L2926-F2998 HydrophobicContact CD2-CZ 4.07Å; L2926-F2998 HydrophobicContact CG-CE2 4.36Å; L2926-F2998 HydrophobicContact CG-CZ 4.41Å; L2926-F3002 HydrophobicContact CD2-CE1 4.15Å; L2926-L3006 HydrophobicContact CD2-CD1 4.11Å; L2926-L3027 HydrophobicContact CB-CB 4.31Å; L2926-L3027 PolarHBondContact N-O 3.49Å; L2926-L3027 VanDerWaalsContact N-O 3.1Å |
| 2927 | I | 75.4 | Confident | 71.7 | Confident | 1.5 Ų | 1.5 | 36.1 Ų | 36.1 | 1% | 0.008 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -67.7 | -44.3 | -179.1 | -60.2 | 169.3 | 0 | 0 | 0 | 110.3 | I2918 T2924 Q2925 L2929 L2930 L2931 F2992 P2996 F2998 | I2918-I2927 HydrophobicContact CD1-CB 4.37Å; I2918-I2927 HydrophobicContact CD1-CG2 3.22Å; T2924-I2927 PolarHBondContact O-N 3.05Å; T2924-I2927 WeakPolarHBondContact OG1-CD1 3.25Å; T2924-I2927 VanDerWaalsContact OG1-CG1 3.31Å; T2924-I2927 WeakPolarHBondContact OG1-CG1 3.43Å; Q2925-I2927 VanDerWaalsContact C-N 3.33Å; Q2925-I2927 PolarHBondContact O-N 3.38Å; I2927-L2929 VanDerWaalsContact C-N 3.31Å; I2927-L2929 PolarHBondContact O-N 2.92Å; I2927-L2930 PolarHBondContact O-N 3.34Å; I2927-L2931 HydrophobicContact CG2-CD1 3.86Å; I2927-L2931 HydrophobicContact CG2-CG 4.36Å; I2927-L2931 WeakPolarHBondContact O-CB 3.5Å; I2927-L2931 WeakPolarHBondContact O-CG 3.33Å; I2927-L2931 PolarHBondContact O-N 3.23Å; I2927-F2992 HydrophobicContact CG1-CD1 4.14Å; I2927-F2992 HydrophobicContact CG2-CB 4.12Å; I2927-F2992 HydrophobicContact CG2-CD1 4.31Å; I2927-P2996 HydrophobicContact CD1-CB 4.46Å; I2927-F2998 HydrophobicContact CD1-CE2 4.04Å; I2927-F2998 HydrophobicContact CD1-CZ 4.17Å; I2927-F2998 HydrophobicContact CG1-CE2 3.97Å; I2927-F2998 HydrophobicContact CG1-CZ 3.55Å |
| 2928 | Y | 78.4 | Confident | 71.7 | Confident | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -60.4 | -42 | 174.7 | -70.1 | -72 | 0 | 0 | 0 | 111.7 | T2805 M2808 L2915 I2918 L2919 P2920 T2924 Q2925 L2930 L2931 G2932 | T2805-Y2928 HydrophobicContact CG2-CE1 3.86Å; M2808-Y2928 HydrophobicContact CB-CD1 4.47Å; M2808-Y2928 HydrophobicContact CB-CD2 3.54Å; M2808-Y2928 HydrophobicContact CB-CE2 3.97Å; M2808-Y2928 HydrophobicContact CB-CG 3.85Å; M2808-Y2928 HydrophobicContact CE-CD2 4.34Å; M2808-Y2928 HydrophobicContact CE-CE2 4.26Å; M2808-Y2928 HydrophobicContact CG-CD2 4.25Å; M2808-Y2928 HydrophobicContact CG-CE2 4.2Å; L2915-Y2928 HydrophobicContact CD2-CD1 3.93Å; L2915-Y2928 VanDerWaalsContact CD2-O 3.26Å; L2915-Y2928 WeakPolarHBondContact CD2-O 3.34Å; I2918-Y2928 HydrophobicContact CB-CE1 4.34Å; I2918-Y2928 HydrophobicContact CG2-CE1 4.42Å; L2919-Y2928 PolarHBondContact O-OH 3.05Å; P2920-Y2928 WeakPolarHBondContact CA-OH 3.41Å; P2920-Y2928 PolarHBondContact O-OH 2.97Å; T2924-Y2928 VanDerWaalsContact O-CD2 3.24Å; T2924-Y2928 WeakPolarHBondContact O-CD2 3.33Å; T2924-Y2928 PolarHBondContact O-N 3.34Å; Q2925-Y2928 PolarHBondContact O-N 2.93Å; Y2928-L2930 VanDerWaalsContact C-N 3.34Å; Y2928-L2930 PolarHBondContact O-N 3.28Å; Y2928-L2931 PolarHBondContact O-N 2.86Å; Y2928-G2932 PolarHBondContact O-N 3.04Å |
| 2929 | L | 81.5 | Confident | 71.6 | Confident | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -56.5 | -48 | 175 | 179.6 | 62.8 | 0 | 0 | 0 | 111.7 | F2809 L2813 L2816 Q2925 L2926 I2927 S2933 | F2809-L2929 HydrophobicContact CD2-CD1 4.39Å; F2809-L2929 HydrophobicContact CE2-CD1 4.08Å; L2813-L2929 HydrophobicContact CB-CD1 3.78Å; L2813-L2929 HydrophobicContact CD1-CD1 3.96Å; L2813-L2929 HydrophobicContact CG-CD1 4.34Å; L2816-L2929 HydrophobicContact CD2-CD2 4.15Å; Q2925-L2929 WeakPolarHBondContact O-CB 3.48Å; Q2925-L2929 PolarHBondContact O-N 2.9Å; L2926-L2929 HydrophobicContact CD1-CD2 4.45Å; L2926-L2929 WeakPolarHBondContact O-CB 3.38Å; L2926-L2929 PolarHBondContact O-N 2.95Å; I2927-L2929 VanDerWaalsContact C-N 3.31Å; I2927-L2929 PolarHBondContact O-N 2.92Å; L2929-S2933 VanDerWaalsContact O-CB 3.3Å; L2929-S2933 WeakPolarHBondContact O-CB 3.32Å; L2929-S2933 PolarHBondContact O-N 3.32Å; L2929-S2933 VanDerWaalsContact O-N 3.13Å; L2929-S2933 PolarHBondContact O-OG 2.7Å |
| 2930 | L | 77.7 | Confident | 71.5 | Confident | 2 Ų | 2 | 35.3 Ų | 35.3 | 1% | 0.01 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -67.6 | -46.9 | -178.1 | -66.1 | 169.9 | 0 | 0 | 0 | 112 | L2926 I2927 Y2928 G2932 S2933 M2934 I2979 A2982 L2983 F2992 | L2926-L2930 HydrophobicContact CD1-CD1 4.37Å; L2926-L2930 HydrophobicContact CD1-CG 4.44Å; L2926-L2930 HydrophobicContact CG-CD1 4.12Å; L2926-L2930 VanDerWaalsContact O-CG 3.28Å; L2926-L2930 WeakPolarHBondContact O-CG 3.39Å; L2926-L2930 PolarHBondContact O-N 3.11Å; I2927-L2930 PolarHBondContact O-N 3.34Å; Y2928-L2930 VanDerWaalsContact C-N 3.34Å; Y2928-L2930 PolarHBondContact O-N 3.28Å; L2930-G2932 VanDerWaalsContact C-N 3.33Å; L2930-G2932 PolarHBondContact O-N 3.08Å; L2930-S2933 PolarHBondContact O-N 2.97Å; L2930-S2933 VanDerWaalsContact O-N 3.12Å; L2930-M2934 VanDerWaalsContact O-CG 3.25Å; L2930-M2934 WeakPolarHBondContact O-CG 3.39Å; L2930-M2934 PolarHBondContact O-N 3.07Å; L2930-I2979 HydrophobicContact CD2-CG2 4.31Å; L2930-A2982 HydrophobicContact CD1-CB 4.22Å; L2930-A2982 HydrophobicContact CD2-CB 3.51Å; L2930-A2982 VanDerWaalsContact CD2-CB 3.49Å; L2930-A2982 HydrophobicContact CG-CB 4.46Å; L2930-L2983 HydrophobicContact CB-CD2 4.17Å; L2930-L2983 HydrophobicContact CD2-CD2 4.01Å; L2930-L2983 HydrophobicContact CD2-CG 4.13Å; L2930-F2992 HydrophobicContact CD1-CD1 4.37Å; L2930-F2992 HydrophobicContact CD1-CE1 3.4Å; L2930-F2992 VanDerWaalsContact CD1-CE1 3.43Å; L2930-F2992 HydrophobicContact CD1-CZ 3.61Å |
| 2931 | L | 76.7 | Confident | 71 | Confident | 5 Ų | 5 | 38.2 Ų | 38.2 | 3% | 0.026 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -62 | -40.5 | 178.3 | -76.1 | 170.2 | 0 | 0 | 0 | 112.8 | N2914 L2915 I2918 I2927 Y2928 S2933 I2989 | N2914-L2931 HydrophobicContact CB-CB 4.49Å; N2914-L2931 WeakPolarHBondContact CB-O 3.46Å; N2914-L2931 PolarHBondContact ND2-O 3.4Å; L2915-L2931 HydrophobicContact CD2-CB 4.36Å; I2918-L2931 HydrophobicContact CD1-CD1 3.36Å; I2918-L2931 HydrophobicContact CG1-CD1 3.88Å; I2927-L2931 HydrophobicContact CG2-CD1 3.86Å; I2927-L2931 HydrophobicContact CG2-CG 4.36Å; I2927-L2931 WeakPolarHBondContact O-CB 3.5Å; I2927-L2931 WeakPolarHBondContact O-CG 3.33Å; I2927-L2931 PolarHBondContact O-N 3.23Å; Y2928-L2931 PolarHBondContact O-N 2.86Å; L2931-S2933 VanDerWaalsContact C-N 3.28Å; L2931-S2933 PolarHBondContact O-N 2.97Å; L2931-I2989 HydrophobicContact CD2-CG2 4.08Å |
| 2932 | G | 76 | Confident | 70.1 | Confident | 1.5 Ų | 1.5 | 35.1 Ų | 35.1 | 2% | 0.015 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -68.3 | -28.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113 | Y2928 L2930 | Y2928-G2932 PolarHBondContact O-N 3.04Å; L2930-G2932 VanDerWaalsContact C-N 3.33Å; L2930-G2932 PolarHBondContact O-N 3.08Å |
| 2933 | S | 81.1 | Confident | 69.2 | Low | 1 Ų | 1 | 34.8 Ų | 34.8 | 1% | 0.007 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -94.4 | -20.6 | -174.1 | -51 | 0 | 0 | 0 | 0 | 114.3 | L2929 L2930 L2931 S2935 D2936 L2939 | L2929-S2933 VanDerWaalsContact O-CB 3.3Å; L2929-S2933 WeakPolarHBondContact O-CB 3.32Å; L2929-S2933 PolarHBondContact O-N 3.32Å; L2929-S2933 VanDerWaalsContact O-N 3.13Å; L2929-S2933 PolarHBondContact O-OG 2.7Å; L2930-S2933 PolarHBondContact O-N 2.97Å; L2930-S2933 VanDerWaalsContact O-N 3.12Å; L2931-S2933 VanDerWaalsContact C-N 3.28Å; L2931-S2933 PolarHBondContact O-N 2.97Å; S2933-S2935 PolarHBondContact O-N 3.01Å; S2933-S2935 VanDerWaalsContact O-N 3.07Å; S2933-D2936 VanDerWaalsContact O-CB 3.29Å; S2933-D2936 WeakPolarHBondContact O-CB 3.39Å; S2933-D2936 PolarHBondContact O-N 3.07Å; S2933-L2939 WeakPolarHBondContact O-CD1 3.28Å |
| 2934 | M | 73.3 | Confident | 68 | Low | 63 Ų | 63 | 35.9 Ų | 35.9 | 31% | 0.31 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52 | -35.7 | -172.3 | -77.8 | -156.9 | 135.2 | 0 | 0 | 115 | L2930 L2983 I2989 | L2930-M2934 VanDerWaalsContact O-CG 3.25Å; L2930-M2934 WeakPolarHBondContact O-CG 3.39Å; L2930-M2934 PolarHBondContact O-N 3.07Å; M2934-L2983 HydrophobicContact CE-CD2 3.79Å; M2934-L2983 HydrophobicContact CG-CD1 4.27Å; M2934-L2983 HydrophobicContact CG-CD2 3.72Å; M2934-L2983 HydrophobicContact SD-CD2 4.36Å; M2934-I2989 HydrophobicContact CE-CD1 4.24Å; M2934-I2989 HydrophobicContact CE-CG1 3.94Å; M2934-I2989 HydrophobicContact SD-CD1 3.9Å; M2934-I2989 HydrophobicContact SD-CG1 3.82Å |
| 2935 | S | 71 | Confident | 66.4 | Low | 50.5 Ų | 50.5 | 41.7 Ų | 41.7 | 35% | 0.353 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99 | 3.4 | -178.8 | 50.9 | 0 | 0 | 0 | 0 | 113.8 | S2933 | S2933-S2935 PolarHBondContact O-N 3.01Å; S2933-S2935 VanDerWaalsContact O-N 3.07Å |
| 2936 | D | 76.7 | Confident | 64.6 | Low | 7 Ų | 7 | 47.3 Ų | 47.3 | 4% | 0.037 | 27% | 0.27 | C | S | . | . | trans | -71.1 | 128.1 | -174.9 | -166 | -69.8 | 0 | 0 | 0 | 110.8 | S2933 L2938 L2939 S2951 L2952 L2953 | S2933-D2936 VanDerWaalsContact O-CB 3.29Å; S2933-D2936 WeakPolarHBondContact O-CB 3.39Å; S2933-D2936 PolarHBondContact O-N 3.07Å; D2936-L2938 PolarHBondContact O-N 2.99Å; D2936-L2938 WeakPolarHBondContact OD1-CB 3.32Å; D2936-L2938 PolarHBondContact OD1-N 2.89Å; D2936-L2939 PolarHBondContact O-N 3.29Å; D2936-S2951 VanDerWaalsContact CG-OG 3.25Å; D2936-S2951 VanDerWaalsContact OD1-CB 3.28Å; D2936-S2951 WeakPolarHBondContact OD1-CB 3.27Å; D2936-S2951 PolarHBondContact OD1-OG 2.97Å; D2936-S2951 PolarHBondContact OD2-OG 2.97Å; D2936-L2952 PolarHBondContact OD2-N 2.94Å; D2936-L2953 PolarHBondContact OD2-N 3.08Å; D2936-L2953 VanDerWaalsContact OD2-N 3.09Å | ||
| 2937 | P | 71.7 | Confident | 63.2 | Low | 28.5 Ų | 28.5 | 48.4 Ų | 48.4 | 19% | 0.185 | 28% | 0.278 | C | S | . | . | G | 310 helix | trans | -58.4 | -28.3 | 180 | -4.7 | 5.1 | 0 | 0 | 0 | 113.8 | L2939 K2940 S2947 N2950 | P2937-L2939 PolarHBondContact O-N 3.28Å; P2937-L2939 VanDerWaalsContact O-N 3.16Å; P2937-K2940 CarbonylContact O-C 3.58Å; P2937-K2940 PolarHBondContact O-N 3.49Å; P2937-S2947 WeakPolarHBondContact CG-O 3.48Å; P2937-N2950 HydrophobicContact CG-CB 4.29Å |
| 2938 | L | 72.6 | Confident | 62.2 | Low | 35 Ų | 35 | 50.5 Ų | 50.5 | 18% | 0.183 | 29% | 0.289 | C | S | . | . | G | 310 helix | trans | -61.9 | -25.8 | 179.6 | -168.3 | 70.4 | 0 | 0 | 0 | 112.8 | D2936 S2951 L2953 I2957 T2972 | D2936-L2938 PolarHBondContact O-N 2.99Å; D2936-L2938 WeakPolarHBondContact OD1-CB 3.32Å; D2936-L2938 PolarHBondContact OD1-N 2.89Å; L2938-S2951 WeakPolarHBondContact CB-OG 3.38Å; L2938-L2953 HydrophobicContact CB-CD2 4.47Å; L2938-L2953 HydrophobicContact CD2-CB 3.94Å; L2938-L2953 HydrophobicContact CD2-CD2 3.56Å; L2938-L2953 VanDerWaalsContact CD2-CD2 3.45Å; L2938-L2953 HydrophobicContact CD2-CG 3.54Å; L2938-L2953 VanDerWaalsContact CD2-CG 3.48Å; L2938-L2953 HydrophobicContact CG-CD2 4.49Å; L2938-I2957 HydrophobicContact CD2-CD1 3.74Å; L2938-T2972 HydrophobicContact CD1-CG2 3.89Å; L2938-T2972 HydrophobicContact CD2-CG2 4.01Å; L2938-T2972 HydrophobicContact CG-CG2 4.12Å |
| 2939 | L | 67.2 | Low | 61.3 | Low | 17.5 Ų | 17.5 | 52.6 Ų | 52.6 | 9% | 0.092 | 30% | 0.3 | C | S | . | . | G | 310 helix | trans | -78 | -26.3 | 176.9 | -61.8 | -177.8 | 0 | 0 | 0 | 112.7 | S2933 D2936 P2937 Q2976 I2979 L2983 | S2933-L2939 WeakPolarHBondContact O-CD1 3.28Å; D2936-L2939 PolarHBondContact O-N 3.29Å; P2937-L2939 PolarHBondContact O-N 3.28Å; P2937-L2939 VanDerWaalsContact O-N 3.16Å; L2939-Q2976 HydrophobicContact CD2-CB 4.41Å; L2939-Q2976 HydrophobicContact CD2-CG 4.17Å; L2939-Q2976 PolarHBondContact O-NE2 3.09Å; L2939-I2979 HydrophobicContact CD1-CG2 3.61Å; L2939-I2979 HydrophobicContact CD2-CB 4.08Å; L2939-I2979 HydrophobicContact CD2-CD1 4.45Å; L2939-I2979 HydrophobicContact CD2-CG2 3.96Å; L2939-I2979 HydrophobicContact CG-CG2 4.47Å; L2939-L2983 HydrophobicContact CD1-CD1 4.1Å |
| 2940 | K | 62.4 | Low | 60.6 | Low | 143 Ų | 143 | 56.9 Ų | 56.9 | 62% | 0.622 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.4 | 127.5 | 173.6 | -65.2 | 178.3 | -179.1 | 174.5 | 0 | 106.9 | P2937 S2942 | P2937-K2940 CarbonylContact O-C 3.58Å; P2937-K2940 PolarHBondContact O-N 3.49Å; K2940-S2942 PolarHBondContact O-N 3.07Å |
| 2941 | C | 48 | Very low | 60.7 | Low | 114.5 Ų | 114.5 | 56.8 Ų | 56.8 | 77% | 0.774 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.1 | 38.5 | -179.5 | -104.2 | 0 | 0 | 0 | 0 | 114.2 | V2943 | C2941-V2943 PolarHBondContact O-N 3.25Š|
| 2942 | S | 37.7 | Very low | 60.9 | Low | 68 Ų | 68 | 56.6 Ų | 56.6 | 48% | 0.476 | 32% | 0.322 | S | S | . | . | trans | -83 | 103 | 178.7 | 121.8 | 0 | 0 | 0 | 0 | 109.7 | K2940 G2944 S2947 | K2940-S2942 PolarHBondContact O-N 3.07Å; S2942-G2944 PolarHBondContact O-N 3.27Å; S2942-S2947 PolarHBondContact O-OG 3.31Å | ||
| 2943 | V | 37.7 | Very low | 61.2 | Low | 143.5 Ų | 143.5 | 56.6 Ų | 56.6 | 87% | 0.87 | 32% | 0.321 | S | S | * | . | trans | -69.5 | 17.7 | 179.4 | -167.4 | 0 | 0 | 0 | 0 | 112.9 | C2941 | C2941-V2943 PolarHBondContact O-N 3.25Š| ||
| 2944 | G | 35.1 | Very low | 61.1 | Low | 34 Ų | 34 | 56.9 Ų | 56.9 | 35% | 0.351 | 32% | 0.323 | S | S | . | . | trans | -84.6 | 122 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | S2942 D2946 S2947 | S2942-G2944 PolarHBondContact O-N 3.27Å; G2944-D2946 PolarHBondContact O-N 2.94Å; G2944-D2946 VanDerWaalsContact O-N 3.09Å; G2944-S2947 WeakPolarHBondContact O-CB 3.43Å; G2944-S2947 PolarHBondContact O-N 3.08Å; G2944-S2947 PolarHBondContact O-OG 2.94Å | ||
| 2945 | F | 36.7 | Very low | 61.3 | Low | 132.5 Ų | 132.5 | 55 Ų | 55 | 58% | 0.581 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -51.7 | -34.5 | 174 | -72.7 | -80.7 | 0 | 0 | 0 | 113.1 | N2453 S2947 I2948 | N2453-F2945 HydrophobicContact CB-CE1 4.35Å; N2453-F2945 HydrophobicContact CB-CZ 4.23Å; F2945-S2947 VanDerWaalsContact C-N 3.26Å; F2945-S2947 PolarHBondContact O-N 3.23Å; F2945-I2948 PolarHBondContact O-N 2.85Å |
| 2946 | D | 41.3 | Very low | 61.8 | Low | 145 Ų | 145 | 52.6 Ų | 52.6 | 78% | 0.775 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -65.3 | -18.7 | 179 | -66.5 | -24.1 | 0 | 0 | 0 | 113.6 | G2944 | G2944-D2946 PolarHBondContact O-N 2.94Å; G2944-D2946 VanDerWaalsContact O-N 3.09Å |
| 2947 | S | 49.6 | Very low | 61.8 | Low | 24 Ų | 24 | 52.3 Ų | 52.3 | 17% | 0.168 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -84.7 | -25.3 | -178.7 | 78.7 | 0 | 0 | 0 | 0 | 113.4 | P2937 S2942 G2944 F2945 D2949 N2950 S2951 | P2937-S2947 WeakPolarHBondContact CG-O 3.48Å; S2942-S2947 PolarHBondContact O-OG 3.31Å; G2944-S2947 WeakPolarHBondContact O-CB 3.43Å; G2944-S2947 PolarHBondContact O-N 3.08Å; G2944-S2947 PolarHBondContact O-OG 2.94Å; F2945-S2947 VanDerWaalsContact C-N 3.26Å; F2945-S2947 PolarHBondContact O-N 3.23Å; S2947-D2949 VanDerWaalsContact C-N 3.31Å; S2947-D2949 PolarHBondContact O-N 3.02Å; S2947-N2950 PolarHBondContact O-N 3.11Å; S2947-N2950 VanDerWaalsContact O-N 3.1Å; S2947-S2951 PolarHBondContact O-N 3.26Å |
| 2948 | I | 54.2 | Low | 61.9 | Low | 45 Ų | 45 | 52.4 Ų | 52.4 | 23% | 0.231 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -66.7 | -37.7 | -174.2 | -58.7 | 176.2 | 0 | 0 | 0 | 110.7 | F2945 N2950 S2951 S2954 | F2945-I2948 PolarHBondContact O-N 2.85Å; I2948-N2950 PolarHBondContact O-N 3Å; I2948-N2950 VanDerWaalsContact O-N 3.13Å; I2948-S2951 WeakPolarHBondContact O-CB 3.43Å; I2948-S2951 PolarHBondContact O-N 3.17Å; I2948-S2951 VanDerWaalsContact O-N 3.07Å; I2948-S2954 VanDerWaalsContact CG2-OG 3.3Å; I2948-S2954 WeakPolarHBondContact CG2-OG 3.41Å |
| 2949 | D | 58.8 | Low | 61.9 | Low | 44 Ų | 44 | 53.9 Ų | 53.9 | 24% | 0.235 | 30% | 0.299 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66 | -18.3 | 179.1 | -71.5 | -14.1 | 0 | 0 | 0 | 113.3 | R2672 K2890 S2947 Q2955 | R2672-D2949 IonicContact CZ-OD1 2.75Å; R2672-D2949 IonicContact CZ-OD2 3.67Å; R2672-D2949 IonicContact NH1-OD1 3.14Å; R2672-D2949 PolarHBondContact NH1-OD1 2.8Å; R2672-D2949 VanDerWaalsContact NH2-CG 3.28Å; R2672-D2949 IonicContact NH2-OD1 3.78Å; R2672-D2949 PolarHBondContact NH2-OD1 3.26Å; R2672-D2949 IonicContact NH2-OD2 2.9Å; R2672-D2949 PolarHBondContact NH2-OD2 3.37Å; K2890-D2949 VanDerWaalsContact NZ-CG 3.3Å; K2890-D2949 IonicContact NZ-OD2 3.19Å; K2890-D2949 PolarHBondContact NZ-OD2 3Å; S2947-D2949 VanDerWaalsContact C-N 3.31Å; S2947-D2949 PolarHBondContact O-N 3.02Å; D2949-Q2955 PolarHBondContact O-NE2 3.15Å |
| 2950 | N | 68 | Low | 62.2 | Low | 89.5 Ų | 89.5 | 53.9 Ų | 53.9 | 48% | 0.479 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.3 | 2.5 | 177.5 | -62 | -39.1 | 0 | 0 | 0 | 112.7 | I2893 P2937 S2947 I2948 | I2893-N2950 WeakPolarHBondContact CD1-O 3.3Å; P2937-N2950 HydrophobicContact CG-CB 4.29Å; S2947-N2950 PolarHBondContact O-N 3.11Å; S2947-N2950 VanDerWaalsContact O-N 3.1Å; I2948-N2950 PolarHBondContact O-N 3Å; I2948-N2950 VanDerWaalsContact O-N 3.13Å |
| 2951 | S | 78.3 | Confident | 62.5 | Low | 0.5 Ų | 0.5 | 47.6 Ų | 47.6 | 0% | 0.003 | 27% | 0.273 | C | S | . | . | trans | -93.3 | 117.3 | 174.5 | 174.4 | 0 | 0 | 0 | 0 | 110.6 | D2936 L2938 S2947 I2948 L2953 S2954 Q2955 | D2936-S2951 VanDerWaalsContact CG-OG 3.25Å; D2936-S2951 VanDerWaalsContact OD1-CB 3.28Å; D2936-S2951 WeakPolarHBondContact OD1-CB 3.27Å; D2936-S2951 PolarHBondContact OD1-OG 2.97Å; D2936-S2951 PolarHBondContact OD2-OG 2.97Å; L2938-S2951 WeakPolarHBondContact CB-OG 3.38Å; S2947-S2951 PolarHBondContact O-N 3.26Å; I2948-S2951 WeakPolarHBondContact O-CB 3.43Å; I2948-S2951 PolarHBondContact O-N 3.17Å; I2948-S2951 VanDerWaalsContact O-N 3.07Å; S2951-L2953 VanDerWaalsContact C-N 3.28Å; S2951-L2953 PolarHBondContact O-N 2.91Å; S2951-L2953 PolarHBondContact OG-N 3.46Å; S2951-S2954 WeakPolarHBondContact OG-CB 3.45Å; S2951-S2954 PolarHBondContact OG-N 2.78Å; S2951-Q2955 WeakPolarHBondContact O-CG 3.41Å; S2951-Q2955 PolarHBondContact O-N 3.16Å | ||
| 2952 | L | 82 | Confident | 63.3 | Low | 1 Ų | 1 | 43.6 Ų | 43.6 | 1% | 0.005 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -66.5 | -37.2 | 171.6 | -176.5 | 66.7 | 0 | 0 | 0 | 109.9 | F2809 L2901 L2903 I2911 D2936 Q2955 I2956 | F2809-L2952 HydrophobicContact CE1-CD2 3.72Å; F2809-L2952 HydrophobicContact CE1-CG 4.48Å; F2809-L2952 HydrophobicContact CZ-CD2 4.07Å; L2901-L2952 HydrophobicContact CD1-CD1 4.18Å; L2903-L2952 HydrophobicContact CD1-CD1 3.93Å; L2903-L2952 HydrophobicContact CD1-CD2 4.02Å; I2911-L2952 HydrophobicContact CD1-CB 4Å; I2911-L2952 HydrophobicContact CD1-CD2 4.04Å; I2911-L2952 HydrophobicContact CG2-CD2 4.39Å; D2936-L2952 PolarHBondContact OD2-N 2.94Å; L2952-Q2955 PolarHBondContact O-N 3.47Å; L2952-I2956 HydrophobicContact CD1-CD1 4.49Å; L2952-I2956 HydrophobicContact CG-CD1 4.11Å; L2952-I2956 WeakPolarHBondContact O-CG1 3.39Å; L2952-I2956 PolarHBondContact O-N 2.92Å; L2952-I2956 VanDerWaalsContact O-N 3.1Å |
| 2953 | L | 82.5 | Confident | 64.5 | Low | 1 Ų | 1 | 43.2 Ų | 43.2 | 1% | 0.005 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -65.8 | -43.8 | -179.2 | -175.5 | 57.3 | 0 | 0 | 0 | 111.9 | L2813 D2936 L2938 S2951 Q2955 I2956 I2957 I2975 I2979 | L2813-L2953 HydrophobicContact CD1-CD1 3.5Å; L2813-L2953 VanDerWaalsContact CD1-CD1 3.43Å; L2813-L2953 HydrophobicContact CD2-CD1 3.53Å; L2813-L2953 HydrophobicContact CG-CD1 4.31Å; D2936-L2953 PolarHBondContact OD2-N 3.08Å; D2936-L2953 VanDerWaalsContact OD2-N 3.09Å; L2938-L2953 HydrophobicContact CB-CD2 4.47Å; L2938-L2953 HydrophobicContact CD2-CB 3.94Å; L2938-L2953 HydrophobicContact CD2-CD2 3.56Å; L2938-L2953 VanDerWaalsContact CD2-CD2 3.45Å; L2938-L2953 HydrophobicContact CD2-CG 3.54Å; L2938-L2953 VanDerWaalsContact CD2-CG 3.48Å; L2938-L2953 HydrophobicContact CG-CD2 4.49Å; S2951-L2953 VanDerWaalsContact C-N 3.28Å; S2951-L2953 PolarHBondContact O-N 2.91Å; S2951-L2953 PolarHBondContact OG-N 3.46Å; L2953-Q2955 VanDerWaalsContact C-N 3.31Å; L2953-Q2955 PolarHBondContact O-N 3.15Å; L2953-I2956 PolarHBondContact O-N 3.36Å; L2953-I2957 HydrophobicContact CD1-CD1 4.19Å; L2953-I2957 HydrophobicContact CD1-CG1 4.3Å; L2953-I2957 HydrophobicContact CG-CD1 3.92Å; L2953-I2957 WeakPolarHBondContact O-CB 3.29Å; L2953-I2957 VanDerWaalsContact O-CG1 3.28Å; L2953-I2957 WeakPolarHBondContact O-CG1 3.37Å; L2953-I2957 PolarHBondContact O-N 2.96Å; L2953-I2975 HydrophobicContact CD1-CD1 4.38Å; L2953-I2975 HydrophobicContact CD1-CG2 4.03Å; L2953-I2975 HydrophobicContact CD2-CG2 3.63Å; L2953-I2975 HydrophobicContact CG-CG2 4.37Å; L2953-I2979 HydrophobicContact CD2-CD1 4.24Å |
| 2954 | S | 78.1 | Confident | 65.7 | Low | 7 Ų | 7 | 36.8 Ų | 36.8 | 5% | 0.049 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -61.1 | -41.2 | 175.9 | -169.4 | 0 | 0 | 0 | 0 | 111.6 | I2948 S2951 I2956 I2957 D2958 | I2948-S2954 VanDerWaalsContact CG2-OG 3.3Å; I2948-S2954 WeakPolarHBondContact CG2-OG 3.41Å; S2951-S2954 WeakPolarHBondContact OG-CB 3.45Å; S2951-S2954 PolarHBondContact OG-N 2.78Å; S2954-I2956 VanDerWaalsContact C-N 3.33Å; S2954-I2956 PolarHBondContact O-N 3.18Å; S2954-I2957 PolarHBondContact O-N 3.4Å; S2954-D2958 VanDerWaalsContact O-CB 3.29Å; S2954-D2958 WeakPolarHBondContact O-CB 3.44Å; S2954-D2958 VanDerWaalsContact O-CG 3.32Å; S2954-D2958 PolarHBondContact O-N 3.08Å |
| 2955 | Q | 77.6 | Confident | 67.1 | Low | 23.5 Ų | 23.5 | 35.4 Ų | 35.4 | 11% | 0.11 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -64.7 | -36.9 | 178.5 | -71.9 | 165.4 | -4 | 0 | 0 | 112.6 | G2894 D2949 S2951 L2952 L2953 F2959 | G2894-Q2955 PolarHBondContact O-NE2 3.18Å; G2894-Q2955 PolarHBondContact O-OE1 3.36Å; D2949-Q2955 PolarHBondContact O-NE2 3.15Å; S2951-Q2955 WeakPolarHBondContact O-CG 3.41Å; S2951-Q2955 PolarHBondContact O-N 3.16Å; L2952-Q2955 PolarHBondContact O-N 3.47Å; L2953-Q2955 VanDerWaalsContact C-N 3.31Å; L2953-Q2955 PolarHBondContact O-N 3.15Å; Q2955-F2959 PolarHBondContact O-N 3.26Å; Q2955-F2959 VanDerWaalsContact O-N 3.16Å |
| 2956 | I | 80.8 | Confident | 68.5 | Low | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -70 | -42 | 174.9 | -65.3 | 167.5 | 0 | 0 | 0 | 110.5 | F2809 L2813 I2817 L2896 L2901 L2952 L2953 S2954 D2958 F2959 I2960 | F2809-I2956 HydrophobicContact CE1-CD1 4Å; F2809-I2956 HydrophobicContact CZ-CD1 4.48Å; L2813-I2956 HydrophobicContact CD1-CD1 4.37Å; L2813-I2956 HydrophobicContact CD2-CB 4.26Å; L2813-I2956 HydrophobicContact CD2-CD1 3.94Å; L2813-I2956 HydrophobicContact CD2-CG1 4.39Å; L2813-I2956 HydrophobicContact CD2-CG2 3.59Å; L2813-I2956 HydrophobicContact CG-CG2 4.47Å; I2817-I2956 HydrophobicContact CD1-CG2 4.45Å; L2896-I2956 HydrophobicContact CB-CG1 4.32Å; L2896-I2956 HydrophobicContact CD2-CB 4.49Å; L2896-I2956 HydrophobicContact CD2-CG1 4.44Å; L2896-I2956 HydrophobicContact CD2-CG2 4.06Å; L2901-I2956 HydrophobicContact CD1-CD1 4.09Å; L2901-I2956 HydrophobicContact CD1-CG1 4.18Å; L2901-I2956 HydrophobicContact CD2-CD1 4.43Å; L2952-I2956 HydrophobicContact CD1-CD1 4.49Å; L2952-I2956 HydrophobicContact CG-CD1 4.11Å; L2952-I2956 WeakPolarHBondContact O-CG1 3.39Å; L2952-I2956 PolarHBondContact O-N 2.92Å; L2952-I2956 VanDerWaalsContact O-N 3.1Å; L2953-I2956 PolarHBondContact O-N 3.36Å; S2954-I2956 VanDerWaalsContact C-N 3.33Å; S2954-I2956 PolarHBondContact O-N 3.18Å; I2956-D2958 VanDerWaalsContact C-N 3.33Å; I2956-D2958 PolarHBondContact O-N 2.92Å; I2956-F2959 PolarHBondContact O-N 3.15Å; I2956-I2960 HydrophobicContact CG2-CD1 3.75Å; I2956-I2960 WeakPolarHBondContact O-CG1 3.04Å; I2956-I2960 PolarHBondContact O-N 3.17Å |
| 2957 | I | 77.9 | Confident | 69.8 | Low | 0.5 Ų | 0.5 | 29.5 Ų | 29.5 | 0% | 0.003 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -62.6 | -41.5 | 175.9 | -70.5 | 167.9 | 0 | 0 | 0 | 110.8 | L2938 L2953 S2954 F2959 I2960 C2961 K2968 L2971 I2975 | L2938-I2957 HydrophobicContact CD2-CD1 3.74Å; L2953-I2957 HydrophobicContact CD1-CD1 4.19Å; L2953-I2957 HydrophobicContact CD1-CG1 4.3Å; L2953-I2957 HydrophobicContact CG-CD1 3.92Å; L2953-I2957 WeakPolarHBondContact O-CB 3.29Å; L2953-I2957 VanDerWaalsContact O-CG1 3.28Å; L2953-I2957 WeakPolarHBondContact O-CG1 3.37Å; L2953-I2957 PolarHBondContact O-N 2.96Å; S2954-I2957 PolarHBondContact O-N 3.4Å; I2957-F2959 VanDerWaalsContact C-N 3.31Å; I2957-F2959 PolarHBondContact O-N 3.17Å; I2957-I2960 PolarHBondContact O-N 3.28Å; I2957-I2960 VanDerWaalsContact O-N 3.14Å; I2957-C2961 PolarHBondContact O-N 3.13Å; I2957-K2968 HydrophobicContact CG2-CD 4.35Å; I2957-K2968 HydrophobicContact CG2-CG 3.69Å; I2957-L2971 HydrophobicContact CG1-CD2 4.45Å; I2957-L2971 HydrophobicContact CG2-CD2 4.34Å; I2957-I2975 HydrophobicContact CD1-CD1 3.87Å; I2957-I2975 HydrophobicContact CG1-CD1 3.98Å |
| 2958 | D | 73.8 | Confident | 71 | Confident | 31 Ų | 31 | 29.1 Ų | 29.1 | 17% | 0.166 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -62 | -34 | 176.2 | -75.9 | -25.9 | 0 | 0 | 0 | 112.1 | S2954 I2956 I2960 C2961 P2962 K2968 | S2954-D2958 VanDerWaalsContact O-CB 3.29Å; S2954-D2958 WeakPolarHBondContact O-CB 3.44Å; S2954-D2958 VanDerWaalsContact O-CG 3.32Å; S2954-D2958 PolarHBondContact O-N 3.08Å; I2956-D2958 VanDerWaalsContact C-N 3.33Å; I2956-D2958 PolarHBondContact O-N 2.92Å; D2958-I2960 VanDerWaalsContact C-N 3.35Å; D2958-C2961 CarbonylContact O-C 3.58Å; D2958-P2962 WeakPolarHBondContact O-CA 3.37Å; D2958-K2968 WeakPolarHBondContact OD1-CE 3.35Å; D2958-K2968 IonicContact OD1-NZ 3.38Å; D2958-K2968 PolarHBondContact OD1-NZ 2.94Å |
| 2959 | F | 73 | Confident | 71.9 | Confident | 67.5 Ų | 67.5 | 28.3 Ų | 28.3 | 30% | 0.296 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -71.3 | -37.3 | 174.4 | -176.2 | -95.1 | 0 | 0 | 0 | 112.6 | I2847 L2896 Q2955 I2956 I2957 | I2847-F2959 HydrophobicContact CG2-CE1 4.15Å; I2847-F2959 HydrophobicContact CG2-CZ 4.31Å; L2896-F2959 HydrophobicContact CB-CB 4.07Å; L2896-F2959 HydrophobicContact CB-CD1 4.15Å; L2896-F2959 HydrophobicContact CB-CD2 4.49Å; L2896-F2959 HydrophobicContact CB-CG 3.99Å; L2896-F2959 HydrophobicContact CD2-CB 4.02Å; L2896-F2959 HydrophobicContact CD2-CD1 3.43Å; L2896-F2959 HydrophobicContact CD2-CE1 4.01Å; L2896-F2959 HydrophobicContact CD2-CG 4.06Å; L2896-F2959 HydrophobicContact CG-CB 4.15Å; L2896-F2959 HydrophobicContact CG-CD1 3.66Å; L2896-F2959 HydrophobicContact CG-CD2 4.31Å; L2896-F2959 HydrophobicContact CG-CE1 4.01Å; L2896-F2959 HydrophobicContact CG-CG 4.02Å; L2896-F2959 WeakPolarHBondContact O-CD2 3.42Å; L2896-F2959 WeakPolarHBondContact O-CE2 3.39Å; L2896-F2959 WeakPolarHBondContact O-CG 3.42Å; Q2955-F2959 PolarHBondContact O-N 3.26Å; Q2955-F2959 VanDerWaalsContact O-N 3.16Å; I2956-F2959 PolarHBondContact O-N 3.15Å; I2957-F2959 VanDerWaalsContact C-N 3.31Å; I2957-F2959 PolarHBondContact O-N 3.17Å |
| 2960 | I | 72.5 | Confident | 72.7 | Confident | 17 Ų | 17 | 28.3 Ų | 28.3 | 9% | 0.087 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -82.7 | -37.3 | -174.8 | -69 | 170.1 | 0 | 0 | 0 | 111.9 | I2817 I2843 L2896 I2956 I2957 D2958 P2962 L2971 | I2817-I2960 HydrophobicContact CD1-CD1 3.19Å; I2817-I2960 HydrophobicContact CG1-CD1 4.39Å; I2817-I2960 HydrophobicContact CG2-CD1 4.3Å; I2817-I2960 HydrophobicContact CG2-CG2 3.93Å; I2843-I2960 HydrophobicContact CD1-CG2 3.76Å; I2843-I2960 HydrophobicContact CG1-CG2 4.13Å; I2843-I2960 HydrophobicContact CG2-CG2 4.39Å; L2896-I2960 HydrophobicContact CD2-CD1 4.5Å; L2896-I2960 HydrophobicContact CD2-CG1 4.38Å; I2956-I2960 HydrophobicContact CG2-CD1 3.75Å; I2956-I2960 WeakPolarHBondContact O-CG1 3.04Å; I2956-I2960 PolarHBondContact O-N 3.17Å; I2957-I2960 PolarHBondContact O-N 3.28Å; I2957-I2960 VanDerWaalsContact O-N 3.14Å; D2958-I2960 VanDerWaalsContact C-N 3.35Å; I2960-P2962 VanDerWaalsContact O-CD 3.28Å; I2960-P2962 WeakPolarHBondContact O-CD 3.18Å; I2960-L2971 HydrophobicContact CG2-CD2 4.07Å |
| 2961 | C | 69.7 | Low | 73.3 | Confident | 10 Ų | 10 | 24 Ų | 24 | 7% | 0.068 | 13% | 0.129 | C | C | . | . | S | Bend | trans | -114.4 | 67.3 | 173.9 | -70.6 | 0 | 0 | 0 | 0 | 109.5 | I2957 D2958 Y2963 G2964 K2968 | I2957-C2961 PolarHBondContact O-N 3.13Å; D2958-C2961 CarbonylContact O-C 3.58Å; C2961-Y2963 PolarHBondContact O-N 3.13Å; C2961-Y2963 VanDerWaalsContact O-N 3.08Å; C2961-G2964 PolarHBondContact O-N 3.33Å; C2961-K2968 HydrophobicContact CB-CB 3.89Å; C2961-K2968 HydrophobicContact CB-CG 4.19Å |
| 2962 | P | 64.2 | Low | 73.3 | Confident | 31.5 Ų | 31.5 | 25.1 Ų | 25.1 | 21% | 0.205 | 14% | 0.136 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | -21.9 | -173.1 | 29.8 | -36.7 | 0 | 0 | 0 | 112.8 | S2666 K2667 P2668 D2958 I2960 G2964 | S2666-P2962 WeakPolarHBondContact O-CB 3.4Å; K2667-P2962 WeakPolarHBondContact CA-O 3.37Å; K2667-P2962 WeakPolarHBondContact CB-O 3.37Å; K2667-P2962 HydrophobicContact CD-CB 4Å; K2667-P2962 HydrophobicContact CG-CB 4.09Å; P2668-P2962 WeakPolarHBondContact CD-O 3.3Å; P2668-P2962 VanDerWaalsContact CG-O 3.3Å; P2668-P2962 WeakPolarHBondContact CG-O 3.29Å; D2958-P2962 WeakPolarHBondContact O-CA 3.37Å; I2960-P2962 VanDerWaalsContact O-CD 3.28Å; I2960-P2962 WeakPolarHBondContact O-CD 3.18Å; P2962-G2964 PolarHBondContact O-N 2.85Å |
| 2963 | Y | 63.1 | Low | 73.2 | Confident | 59 Ų | 59 | 29.5 Ų | 29.5 | 23% | 0.231 | 16% | 0.156 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.8 | -2.4 | 177.4 | -53.1 | -76.6 | 0 | 0 | 0 | 113.9 | S2666 K2667 N2708 E2840 C2961 | S2666-Y2963 VanDerWaalsContact CB-CE1 3.42Å; K2667-Y2963 HydrophobicContact CG-CD1 4.13Å; K2667-Y2963 HydrophobicContact CG-CE1 4.02Å; N2708-Y2963 PolarHBondContact ND2-O 2.9Å; E2840-Y2963 HydrophobicContact CB-CE1 4.45Å; E2840-Y2963 HydrophobicContact CB-CE2 4.38Å; E2840-Y2963 WeakPolarHBondContact O-CD2 3.3Å; E2840-Y2963 WeakPolarHBondContact O-CE2 3.31Å; C2961-Y2963 PolarHBondContact O-N 3.13Å; C2961-Y2963 VanDerWaalsContact O-N 3.08Å |
| 2964 | G | 62.7 | Low | 73.4 | Confident | 10 Ų | 10 | 29.6 Ų | 29.6 | 10% | 0.103 | 16% | 0.157 | C | C | . | . | trans | 56.4 | -139.5 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | D2454 C2961 P2962 | D2454-G2964 WeakPolarHBondContact OD2-CA 2.95Å; C2961-G2964 PolarHBondContact O-N 3.33Å; P2962-G2964 PolarHBondContact O-N 2.85Å | ||
| 2965 | G | 65 | Low | 73.7 | Confident | 4 Ų | 4 | 29.3 Ų | 29.3 | 4% | 0.041 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | 72.5 | -156.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | D2454 Q2455 K2967 K2968 I2969 | D2454-G2965 PolarHBondContact OD2-N 3.21Å; Q2455-G2965 VanDerWaalsContact NE2-CA 3.29Å; G2965-K2967 VanDerWaalsContact C-N 3.31Å; G2965-K2967 PolarHBondContact O-N 3.32Å; G2965-K2968 PolarHBondContact O-N 3.03Å; G2965-K2968 VanDerWaalsContact O-N 3.12Å; G2965-I2969 PolarHBondContact O-N 2.96Å; G2965-I2969 VanDerWaalsContact O-N 3.09Å |
| 2966 | P | 64.6 | Low | 74 | Confident | 70.5 Ų | 70.5 | 30.1 Ų | 30.1 | 46% | 0.458 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -66.1 | -28.6 | -171.1 | 26 | -34.5 | 0 | 0 | 0 | 113.1 | Y2451 I2969 S2970 | Y2451-P2966 VanDerWaalsContact CD1-CA 3.48Å; Y2451-P2966 HydrophobicContact CD1-CB 3.86Å; Y2451-P2966 HydrophobicContact CE1-CB 3.88Å; P2966-I2969 PolarHBondContact O-N 2.55Å; P2966-S2970 VanDerWaalsContact O-CB 3.26Å; P2966-S2970 WeakPolarHBondContact O-CB 3.49Å; P2966-S2970 PolarHBondContact O-N 2.85Å; P2966-S2970 PolarHBondContact O-OG 3.43Å |
| 2967 | K | 70.3 | Confident | 74 | Confident | 82.5 Ų | 82.5 | 31.2 Ų | 31.2 | 36% | 0.359 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -64.2 | -46 | 173.3 | -75.4 | -173.6 | -178.5 | 179.6 | 0 | 111.5 | W2820 N2841 G2965 I2969 S2970 L2971 | W2820-K2967 HydrophobicContact CH2-CB 4.08Å; W2820-K2967 HydrophobicContact CH2-CG 4.36Å; W2820-K2967 WeakPolarHBondContact CH2-O 3.37Å; W2820-K2967 WeakPolarHBondContact CZ2-O 3.39Å; N2841-K2967 PolarHBondContact O-NZ 3.2Å; N2841-K2967 PolarHBondContact OD1-NZ 2.81Å; G2965-K2967 VanDerWaalsContact C-N 3.31Å; G2965-K2967 PolarHBondContact O-N 3.32Å; K2967-I2969 VanDerWaalsContact C-N 3.33Å; K2967-I2969 PolarHBondContact O-N 3.37Å; K2967-S2970 WeakPolarHBondContact CA-OG 3.36Å; K2967-S2970 PolarHBondContact O-N 3.46Å; K2967-S2970 PolarHBondContact O-OG 2.97Å; K2967-S2970 VanDerWaalsContact O-OG 3.1Å; K2967-L2971 VanDerWaalsContact O-CB 3.29Å; K2967-L2971 WeakPolarHBondContact O-CB 3.24Å; K2967-L2971 PolarHBondContact O-N 3.23Å |
| 2968 | K | 74.2 | Confident | 74.4 | Confident | 15.5 Ų | 15.5 | 31.2 Ų | 31.2 | 7% | 0.067 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -62.1 | -42.6 | 178 | 177.4 | 174.8 | 163.5 | -171.2 | 0 | 111.4 | D2454 I2957 D2958 C2961 G2965 L2971 T2972 | D2454-K2968 VanDerWaalsContact CG-NZ 3.34Å; D2454-K2968 IonicContact OD1-NZ 3.73Å; D2454-K2968 PolarHBondContact OD1-NZ 3.19Å; D2454-K2968 WeakPolarHBondContact OD2-CD 3.28Å; D2454-K2968 WeakPolarHBondContact OD2-CE 3.1Å; D2454-K2968 IonicContact OD2-NZ 3.86Å; D2454-K2968 PolarHBondContact OD2-NZ 3.03Å; I2957-K2968 HydrophobicContact CG2-CD 4.35Å; I2957-K2968 HydrophobicContact CG2-CG 3.69Å; D2958-K2968 WeakPolarHBondContact OD1-CE 3.35Å; D2958-K2968 IonicContact OD1-NZ 3.38Å; D2958-K2968 PolarHBondContact OD1-NZ 2.94Å; C2961-K2968 HydrophobicContact CB-CB 3.89Å; C2961-K2968 HydrophobicContact CB-CG 4.19Å; G2965-K2968 PolarHBondContact O-N 3.03Å; G2965-K2968 VanDerWaalsContact O-N 3.12Å; K2968-L2971 PolarHBondContact O-N 3.19Å; K2968-T2972 VanDerWaalsContact O-CB 3.26Å; K2968-T2972 WeakPolarHBondContact O-CB 3.42Å; K2968-T2972 PolarHBondContact O-N 3.19Å; K2968-T2972 PolarHBondContact O-OG1 3.16Å |
| 2969 | I | 71.8 | Confident | 74.9 | Confident | 28 Ų | 28 | 29.7 Ų | 29.7 | 14% | 0.144 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -69.9 | -47.1 | 179.8 | -73.1 | 159.9 | 0 | 0 | 0 | 111.5 | E2450 Y2451 G2965 P2966 K2967 L2971 T2972 Q2973 | E2450-I2969 VanDerWaalsContact CA-CD1 3.5Å; E2450-I2969 HydrophobicContact CB-CD1 3.83Å; E2450-I2969 VanDerWaalsContact CB-CD1 3.46Å; E2450-I2969 HydrophobicContact CG-CD1 3.88Å; E2450-I2969 HydrophobicContact CG-CG2 4.37Å; E2450-I2969 WeakPolarHBondContact O-CD1 3.31Å; E2450-I2969 WeakPolarHBondContact OE1-CG2 3.22Å; Y2451-I2969 HydrophobicContact CD1-CB 4.04Å; Y2451-I2969 HydrophobicContact CD1-CD1 3.27Å; Y2451-I2969 HydrophobicContact CD1-CG1 4.26Å; Y2451-I2969 HydrophobicContact CD1-CG2 4.29Å; Y2451-I2969 HydrophobicContact CE1-CB 3.88Å; Y2451-I2969 HydrophobicContact CE1-CD1 3.91Å; Y2451-I2969 HydrophobicContact CE1-CG2 3.74Å; Y2451-I2969 HydrophobicContact CG-CD1 3.92Å; G2965-I2969 PolarHBondContact O-N 2.96Å; G2965-I2969 VanDerWaalsContact O-N 3.09Å; P2966-I2969 PolarHBondContact O-N 2.55Å; K2967-I2969 VanDerWaalsContact C-N 3.33Å; K2967-I2969 PolarHBondContact O-N 3.37Å; I2969-L2971 VanDerWaalsContact C-N 3.26Å; I2969-L2971 PolarHBondContact O-N 3.23Å; I2969-T2972 CarbonylContact O-C 3.47Å; I2969-T2972 WeakPolarHBondContact O-CA 3.29Å; I2969-T2972 WeakPolarHBondContact O-CB 3.26Å; I2969-T2972 PolarHBondContact O-N 2.85Å; I2969-T2972 VanDerWaalsContact O-N 3.09Å; I2969-Q2973 HydrophobicContact CG2-CG 4.2Å; I2969-Q2973 VanDerWaalsContact CG2-NE2 3.29Å; I2969-Q2973 WeakPolarHBondContact O-CB 3.29Å; I2969-Q2973 VanDerWaalsContact O-CG 3.31Å; I2969-Q2973 WeakPolarHBondContact O-CG 3.43Å; I2969-Q2973 PolarHBondContact O-N 3.25Å |
| 2970 | S | 76 | Confident | 75.3 | Confident | 44 Ų | 44 | 29.5 Ų | 29.5 | 31% | 0.308 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -59.8 | -38.4 | 175.3 | 114.4 | 0 | 0 | 0 | 0 | 111.9 | W2820 P2966 K2967 F2974 | W2820-S2970 WeakPolarHBondContact CZ2-OG 2.88Å; W2820-S2970 PolarHBondContact NE1-OG 2.9Å; P2966-S2970 VanDerWaalsContact O-CB 3.26Å; P2966-S2970 WeakPolarHBondContact O-CB 3.49Å; P2966-S2970 PolarHBondContact O-N 2.85Å; P2966-S2970 PolarHBondContact O-OG 3.43Å; K2967-S2970 WeakPolarHBondContact CA-OG 3.36Å; K2967-S2970 PolarHBondContact O-N 3.46Å; K2967-S2970 PolarHBondContact O-OG 2.97Å; K2967-S2970 VanDerWaalsContact O-OG 3.1Å; S2970-F2974 VanDerWaalsContact O-CB 3.23Å; S2970-F2974 WeakPolarHBondContact O-CB 3.36Å; S2970-F2974 PolarHBondContact O-N 3.25Å |
| 2971 | L | 81.1 | Confident | 75.8 | Confident | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -64.9 | -45.2 | 172.6 | 178.8 | 59.2 | 0 | 0 | 0 | 111.7 | I2817 W2820 I2957 I2960 K2967 K2968 I2969 F2974 I2975 | I2817-L2971 HydrophobicContact CG1-CD1 4.17Å; I2817-L2971 HydrophobicContact CG2-CD1 4.31Å; I2817-L2971 HydrophobicContact CG2-CD2 4.35Å; W2820-L2971 HydrophobicContact CB-CD1 4.11Å; W2820-L2971 HydrophobicContact CD2-CB 4.14Å; W2820-L2971 HydrophobicContact CD2-CD1 3.59Å; W2820-L2971 HydrophobicContact CD2-CG 4.43Å; W2820-L2971 HydrophobicContact CE3-CB 4.27Å; W2820-L2971 HydrophobicContact CE3-CD1 3.65Å; W2820-L2971 HydrophobicContact CE3-CD2 4.48Å; W2820-L2971 HydrophobicContact CE3-CG 4.36Å; W2820-L2971 HydrophobicContact CG-CD1 3.8Å; W2820-L2971 HydrophobicContact CH2-CB 3.93Å; W2820-L2971 HydrophobicContact CZ2-CB 3.81Å; W2820-L2971 HydrophobicContact CZ3-CB 4.15Å; W2820-L2971 HydrophobicContact CZ3-CD1 4.25Å; W2820-L2971 HydrophobicContact CZ3-CD2 4.38Å; W2820-L2971 HydrophobicContact CZ3-CG 4.43Å; I2957-L2971 HydrophobicContact CG1-CD2 4.45Å; I2957-L2971 HydrophobicContact CG2-CD2 4.34Å; I2960-L2971 HydrophobicContact CG2-CD2 4.07Å; K2967-L2971 VanDerWaalsContact O-CB 3.29Å; K2967-L2971 WeakPolarHBondContact O-CB 3.24Å; K2967-L2971 PolarHBondContact O-N 3.23Å; K2968-L2971 PolarHBondContact O-N 3.19Å; I2969-L2971 VanDerWaalsContact C-N 3.26Å; I2969-L2971 PolarHBondContact O-N 3.23Å; L2971-F2974 PolarHBondContact O-N 3.11Å; L2971-I2975 HydrophobicContact CD1-CD1 3.69Å; L2971-I2975 HydrophobicContact CD1-CG1 3.99Å; L2971-I2975 HydrophobicContact CG-CD1 3.82Å; L2971-I2975 HydrophobicContact CG-CG1 4.47Å; L2971-I2975 WeakPolarHBondContact O-CB 3.28Å; L2971-I2975 VanDerWaalsContact O-CG1 3.29Å; L2971-I2975 WeakPolarHBondContact O-CG1 3.46Å; L2971-I2975 PolarHBondContact O-N 3.33Å |
| 2972 | T | 78.8 | Confident | 76.2 | Confident | 23.5 Ų | 23.5 | 30.3 Ų | 30.3 | 14% | 0.144 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -59.6 | -49.8 | 178.3 | -61.1 | 0 | 0 | 0 | 0 | 110.8 | L2938 K2968 I2969 F2974 I2975 Q2976 | L2938-T2972 HydrophobicContact CD1-CG2 3.89Å; L2938-T2972 HydrophobicContact CD2-CG2 4.01Å; L2938-T2972 HydrophobicContact CG-CG2 4.12Å; K2968-T2972 VanDerWaalsContact O-CB 3.26Å; K2968-T2972 WeakPolarHBondContact O-CB 3.42Å; K2968-T2972 PolarHBondContact O-N 3.19Å; K2968-T2972 PolarHBondContact O-OG1 3.16Å; I2969-T2972 CarbonylContact O-C 3.47Å; I2969-T2972 WeakPolarHBondContact O-CA 3.29Å; I2969-T2972 WeakPolarHBondContact O-CB 3.26Å; I2969-T2972 PolarHBondContact O-N 2.85Å; I2969-T2972 VanDerWaalsContact O-N 3.09Å; T2972-F2974 VanDerWaalsContact C-N 3.35Å; T2972-F2974 PolarHBondContact O-N 3.01Å; T2972-I2975 PolarHBondContact O-N 3.27Å; T2972-Q2976 WeakPolarHBondContact O-CB 3.27Å; T2972-Q2976 PolarHBondContact O-N 3.12Å |
| 2973 | Q | 79.8 | Confident | 76.8 | Confident | 93 Ų | 93 | 30 Ų | 30 | 44% | 0.435 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -63.5 | -40.1 | 177.7 | -70.8 | 175.2 | -4.1 | 0 | 0 | 111.8 | I2969 G2977 | I2969-Q2973 HydrophobicContact CG2-CG 4.2Å; I2969-Q2973 VanDerWaalsContact CG2-NE2 3.29Å; I2969-Q2973 WeakPolarHBondContact O-CB 3.29Å; I2969-Q2973 VanDerWaalsContact O-CG 3.31Å; I2969-Q2973 WeakPolarHBondContact O-CG 3.43Å; I2969-Q2973 PolarHBondContact O-N 3.25Å; Q2973-G2977 WeakPolarHBondContact O-CA 3.41Å; Q2973-G2977 PolarHBondContact O-N 3.13Å |
| 2974 | F | 85.4 | Confident | 77.3 | Confident | 3.5 Ų | 3.5 | 30.8 Ų | 30.8 | 2% | 0.015 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -62.9 | -47.8 | 175.6 | 173.7 | -97.8 | 0 | 0 | 0 | 111.9 | L2816 W2820 S2970 L2971 T2972 G2977 F2978 Y3009 L3010 H3013 | L2816-F2974 HydrophobicContact CD1-CE1 3.64Å; L2816-F2974 HydrophobicContact CD1-CZ 4.01Å; L2816-F2974 HydrophobicContact CG-CD1 4.49Å; L2816-F2974 HydrophobicContact CG-CE1 3.84Å; W2820-F2974 HydrophobicContact CB-CD1 3.61Å; W2820-F2974 HydrophobicContact CB-CE1 3.58Å; W2820-F2974 HydrophobicContact CB-CG 4.2Å; W2820-F2974 HydrophobicContact CB-CZ 4.14Å; W2820-F2974 AromaticContact CD1-CD1 3.74Å; W2820-F2974 AromaticContact CD1-CD2 3.94Å; W2820-F2974 AromaticContact CD1-CG 3.46Å; W2820-F2974 VanDerWaalsContact CD1-CG 3.46Å; W2820-F2974 HydrophobicContact CG-CB 4.42Å; W2820-F2974 AromaticContact CG-CD1 3.93Å; W2820-F2974 HydrophobicContact CG-CD1 3.93Å; W2820-F2974 HydrophobicContact CG-CE1 4.36Å; W2820-F2974 HydrophobicContact CG-CG 4.11Å; S2970-F2974 VanDerWaalsContact O-CB 3.23Å; S2970-F2974 WeakPolarHBondContact O-CB 3.36Å; S2970-F2974 PolarHBondContact O-N 3.25Å; L2971-F2974 PolarHBondContact O-N 3.11Å; T2972-F2974 VanDerWaalsContact C-N 3.35Å; T2972-F2974 PolarHBondContact O-N 3.01Å; F2974-G2977 PolarHBondContact O-N 2.68Å; F2974-F2978 VanDerWaalsContact O-CB 3.24Å; F2974-F2978 WeakPolarHBondContact O-CB 3.35Å; F2974-F2978 PolarHBondContact O-N 3.33Å; F2974-Y3009 AromaticContact CD2-CE1 3.85Å; F2974-Y3009 HydrophobicContact CD2-CE1 3.85Å; F2974-Y3009 HydrophobicContact CE2-CD1 4.37Å; F2974-Y3009 AromaticContact CE2-CE1 3.73Å; F2974-Y3009 HydrophobicContact CE2-CE1 3.73Å; F2974-Y3009 HydrophobicContact CZ-CE1 4.47Å; F2974-Y3009 PolarHBondContact O-OH 3.01Å; F2974-L3010 HydrophobicContact CE2-CD2 4.14Å; F2974-L3010 HydrophobicContact CZ-CD2 3.66Å; F2974-H3013 HydrophobicContact CD2-CB 4.11Å; F2974-H3013 AromaticContact CD2-CD2 3.71Å; F2974-H3013 AromaticContact CD2-CG 3.85Å; F2974-H3013 HydrophobicContact CE2-CB 3.93Å |
| 2975 | I | 85.1 | Confident | 77.4 | Confident | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -66.4 | -47 | 179.1 | -66 | 168.3 | 0 | 0 | 0 | 110.2 | L2813 L2816 I2817 L2953 I2957 L2971 T2972 G2977 F2978 I2979 | L2813-I2975 HydrophobicContact CD1-CD1 4.38Å; L2813-I2975 HydrophobicContact CD1-CG2 4.33Å; L2816-I2975 HydrophobicContact CD2-CG1 4.29Å; L2816-I2975 HydrophobicContact CD2-CG2 4.34Å; I2817-I2975 HydrophobicContact CD1-CD1 4.28Å; I2817-I2975 HydrophobicContact CG1-CD1 4.04Å; L2953-I2975 HydrophobicContact CD1-CD1 4.38Å; L2953-I2975 HydrophobicContact CD1-CG2 4.03Å; L2953-I2975 HydrophobicContact CD2-CG2 3.63Å; L2953-I2975 HydrophobicContact CG-CG2 4.37Å; I2957-I2975 HydrophobicContact CD1-CD1 3.87Å; I2957-I2975 HydrophobicContact CG1-CD1 3.98Å; L2971-I2975 HydrophobicContact CD1-CD1 3.69Å; L2971-I2975 HydrophobicContact CD1-CG1 3.99Å; L2971-I2975 HydrophobicContact CG-CD1 3.82Å; L2971-I2975 HydrophobicContact CG-CG1 4.47Å; L2971-I2975 WeakPolarHBondContact O-CB 3.28Å; L2971-I2975 VanDerWaalsContact O-CG1 3.29Å; L2971-I2975 WeakPolarHBondContact O-CG1 3.46Å; L2971-I2975 PolarHBondContact O-N 3.33Å; T2972-I2975 PolarHBondContact O-N 3.27Å; I2975-G2977 VanDerWaalsContact C-N 3.33Å; I2975-G2977 PolarHBondContact O-N 3.33Å; I2975-F2978 PolarHBondContact O-N 2.9Å; I2975-I2979 HydrophobicContact CG2-CD1 3.45Å; I2975-I2979 VanDerWaalsContact CG2-CD1 3.45Å; I2975-I2979 HydrophobicContact CG2-CG1 4.16Å; I2975-I2979 WeakPolarHBondContact O-CB 3.28Å; I2975-I2979 VanDerWaalsContact O-CG1 3.26Å; I2975-I2979 WeakPolarHBondContact O-CG1 3.43Å; I2975-I2979 PolarHBondContact O-N 3.25Å |
| 2976 | Q | 83.4 | Confident | 77.3 | Confident | 40.5 Ų | 40.5 | 37.2 Ų | 37.2 | 19% | 0.189 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -58.5 | -46.1 | 178.2 | -176.1 | -179.1 | 12 | 0 | 0 | 110.9 | L2939 T2972 N2980 | L2939-Q2976 HydrophobicContact CD2-CB 4.41Å; L2939-Q2976 HydrophobicContact CD2-CG 4.17Å; L2939-Q2976 PolarHBondContact O-NE2 3.09Å; T2972-Q2976 WeakPolarHBondContact O-CB 3.27Å; T2972-Q2976 PolarHBondContact O-N 3.12Å; Q2976-N2980 WeakPolarHBondContact CG-ND2 3.43Å; Q2976-N2980 WeakPolarHBondContact O-CB 3.27Å; Q2976-N2980 PolarHBondContact O-N 3.12Å; Q2976-N2980 PolarHBondContact O-ND2 3.34Å |
| 2977 | G | 81.8 | Confident | 76.8 | Confident | 23.5 Ų | 23.5 | 39.2 Ų | 39.2 | 24% | 0.242 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -64 | -45.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q2973 F2974 I2975 L2981 Y3009 | Q2973-G2977 WeakPolarHBondContact O-CA 3.41Å; Q2973-G2977 PolarHBondContact O-N 3.13Å; F2974-G2977 PolarHBondContact O-N 2.68Å; I2975-G2977 VanDerWaalsContact C-N 3.33Å; I2975-G2977 PolarHBondContact O-N 3.33Å; G2977-L2981 VanDerWaalsContact O-CB 3.26Å; G2977-L2981 WeakPolarHBondContact O-CB 3.41Å; G2977-L2981 PolarHBondContact O-N 2.88Å; G2977-Y3009 WeakPolarHBondContact CA-OH 3.33Å |
| 2978 | F | 86.2 | Confident | 76.1 | Confident | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -61.6 | -48.5 | 177.1 | -176.2 | -91 | 0 | 0 | 0 | 111.9 | L2816 L2926 F2974 I2975 L2981 A2982 L3006 Y3009 L3010 L3024 | L2816-F2978 HydrophobicContact CD1-CB 4.47Å; L2816-F2978 HydrophobicContact CD1-CD1 3.81Å; L2816-F2978 HydrophobicContact CD1-CD2 3.92Å; L2816-F2978 HydrophobicContact CD1-CE1 3.95Å; L2816-F2978 HydrophobicContact CD1-CE2 4.05Å; L2816-F2978 HydrophobicContact CD1-CG 3.8Å; L2816-F2978 HydrophobicContact CD1-CZ 4.07Å; L2816-F2978 HydrophobicContact CD2-CB 4.32Å; L2816-F2978 HydrophobicContact CD2-CD1 3.62Å; L2816-F2978 HydrophobicContact CD2-CE1 4.18Å; L2816-F2978 HydrophobicContact CD2-CG 4.07Å; L2816-F2978 HydrophobicContact CG-CD1 4.39Å; L2926-F2978 HydrophobicContact CD1-CE1 3.94Å; L2926-F2978 HydrophobicContact CD1-CZ 4.32Å; F2974-F2978 VanDerWaalsContact O-CB 3.24Å; F2974-F2978 WeakPolarHBondContact O-CB 3.35Å; F2974-F2978 PolarHBondContact O-N 3.33Å; I2975-F2978 PolarHBondContact O-N 2.9Å; F2978-L2981 PolarHBondContact O-N 3.37Å; F2978-A2982 WeakPolarHBondContact O-CB 3.28Å; F2978-A2982 PolarHBondContact O-N 2.88Å; F2978-L3006 HydrophobicContact CD2-CD2 4.43Å; F2978-L3006 HydrophobicContact CE2-CB 4.23Å; F2978-L3006 HydrophobicContact CE2-CD2 4.01Å; F2978-L3006 HydrophobicContact CZ-CD1 4.16Å; F2978-L3006 HydrophobicContact CZ-CD2 4.15Å; F2978-Y3009 HydrophobicContact CB-CD1 4.21Å; F2978-Y3009 HydrophobicContact CB-CE1 3.73Å; F2978-Y3009 AromaticContact CD2-CD1 3.77Å; F2978-Y3009 HydrophobicContact CD2-CD1 3.77Å; F2978-Y3009 HydrophobicContact CD2-CE1 4.11Å; F2978-Y3009 HydrophobicContact CG-CD1 4.49Å; F2978-Y3009 HydrophobicContact CG-CE1 4.45Å; F2978-Y3009 PolarHBondContact N-OH 2.94Å; F2978-L3010 HydrophobicContact CD2-CD2 4.15Å; F2978-L3010 HydrophobicContact CE2-CD1 4.48Å; F2978-L3010 HydrophobicContact CE2-CD2 4.08Å; F2978-L3010 HydrophobicContact CE2-CG 4.2Å; F2978-L3024 HydrophobicContact CZ-CD2 4.39Å |
| 2979 | I | 83.8 | Confident | 75.1 | Confident | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -68.5 | -45.6 | -178.4 | -66.3 | 174.9 | 0 | 0 | 0 | 110.5 | L2930 L2939 L2953 I2975 L2981 A2982 L2983 | L2930-I2979 HydrophobicContact CD2-CG2 4.31Å; L2939-I2979 HydrophobicContact CD1-CG2 3.61Å; L2939-I2979 HydrophobicContact CD2-CB 4.08Å; L2939-I2979 HydrophobicContact CD2-CD1 4.45Å; L2939-I2979 HydrophobicContact CD2-CG2 3.96Å; L2939-I2979 HydrophobicContact CG-CG2 4.47Å; L2953-I2979 HydrophobicContact CD2-CD1 4.24Å; I2975-I2979 HydrophobicContact CG2-CD1 3.45Å; I2975-I2979 VanDerWaalsContact CG2-CD1 3.45Å; I2975-I2979 HydrophobicContact CG2-CG1 4.16Å; I2975-I2979 WeakPolarHBondContact O-CB 3.28Å; I2975-I2979 VanDerWaalsContact O-CG1 3.26Å; I2975-I2979 WeakPolarHBondContact O-CG1 3.43Å; I2975-I2979 PolarHBondContact O-N 3.25Å; I2979-L2981 VanDerWaalsContact C-N 3.31Å; I2979-L2981 PolarHBondContact O-N 3.07Å; I2979-A2982 PolarHBondContact O-N 3.28Å; I2979-L2983 HydrophobicContact CG2-CD1 3.64Å; I2979-L2983 HydrophobicContact CG2-CG 4.04Å; I2979-L2983 WeakPolarHBondContact O-CB 3.3Å; I2979-L2983 VanDerWaalsContact O-CG 3.27Å; I2979-L2983 WeakPolarHBondContact O-CG 3.23Å; I2979-L2983 PolarHBondContact O-N 3.16Å |
| 2980 | N | 81.8 | Confident | 74.3 | Confident | 62.5 Ų | 62.5 | 43.3 Ų | 43.3 | 33% | 0.334 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -62.8 | -38.9 | 178.2 | -75.9 | -17.6 | 0 | 0 | 0 | 111.9 | Q2976 L2983 S2984 | Q2976-N2980 WeakPolarHBondContact CG-ND2 3.43Å; Q2976-N2980 WeakPolarHBondContact O-CB 3.27Å; Q2976-N2980 PolarHBondContact O-N 3.12Å; Q2976-N2980 PolarHBondContact O-ND2 3.34Å; N2980-L2983 PolarHBondContact O-N 2.89Å; N2980-S2984 WeakPolarHBondContact O-CB 3.31Å; N2980-S2984 PolarHBondContact O-N 3.19Å; N2980-S2984 PolarHBondContact O-OG 2.84Å |
| 2981 | L | 82.3 | Confident | 73.3 | Confident | 44.5 Ų | 44.5 | 43.4 Ų | 43.4 | 23% | 0.233 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -60.3 | -49.6 | 173.6 | 179.4 | 62.4 | 0 | 0 | 0 | 110.7 | G2977 F2978 I2979 L2983 S2984 M2985 L3006 Y3009 | G2977-L2981 VanDerWaalsContact O-CB 3.26Å; G2977-L2981 WeakPolarHBondContact O-CB 3.41Å; G2977-L2981 PolarHBondContact O-N 2.88Å; F2978-L2981 PolarHBondContact O-N 3.37Å; I2979-L2981 VanDerWaalsContact C-N 3.31Å; I2979-L2981 PolarHBondContact O-N 3.07Å; L2981-L2983 PolarHBondContact O-N 3.07Å; L2981-S2984 PolarHBondContact O-N 2.74Å; L2981-S2984 PolarHBondContact O-OG 2.97Å; L2981-M2985 HydrophobicContact CD1-CG 4.46Å; L2981-M2985 VanDerWaalsContact O-CG 3.24Å; L2981-M2985 WeakPolarHBondContact O-CG 3.21Å; L2981-M2985 PolarHBondContact O-N 3.02Å; L2981-L3006 HydrophobicContact CD2-CD2 4.24Å; L2981-L3006 HydrophobicContact CG-CD2 4.41Å; L2981-Y3009 HydrophobicContact CD2-CD2 3.91Å; L2981-Y3009 HydrophobicContact CD2-CG 4.02Å |
| 2982 | A | 78.2 | Confident | 72.1 | Confident | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -61.3 | -44 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | L2930 F2978 I2979 M2985 Q2986 F3002 L3006 | L2930-A2982 HydrophobicContact CD1-CB 4.22Å; L2930-A2982 HydrophobicContact CD2-CB 3.51Å; L2930-A2982 VanDerWaalsContact CD2-CB 3.49Å; L2930-A2982 HydrophobicContact CG-CB 4.46Å; F2978-A2982 WeakPolarHBondContact O-CB 3.28Å; F2978-A2982 PolarHBondContact O-N 2.88Å; I2979-A2982 PolarHBondContact O-N 3.28Å; A2982-M2985 PolarHBondContact O-N 3.15Å; A2982-Q2986 PolarHBondContact O-N 2.91Å; A2982-F3002 HydrophobicContact CB-CE2 4.38Å; A2982-F3002 HydrophobicContact CB-CZ 4.17Å; A2982-L3006 HydrophobicContact CB-CD2 4.08Å |
| 2983 | L | 76.6 | Confident | 70.9 | Confident | 26.5 Ų | 26.5 | 45.7 Ų | 45.7 | 14% | 0.139 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -70 | -34.3 | 178.3 | -67.6 | 178.2 | 0 | 0 | 0 | 112.6 | L2930 M2934 L2939 I2979 N2980 L2981 M2985 Q2986 T2987 | L2930-L2983 HydrophobicContact CB-CD2 4.17Å; L2930-L2983 HydrophobicContact CD2-CD2 4.01Å; L2930-L2983 HydrophobicContact CD2-CG 4.13Å; M2934-L2983 HydrophobicContact CE-CD2 3.79Å; M2934-L2983 HydrophobicContact CG-CD1 4.27Å; M2934-L2983 HydrophobicContact CG-CD2 3.72Å; M2934-L2983 HydrophobicContact SD-CD2 4.36Å; L2939-L2983 HydrophobicContact CD1-CD1 4.1Å; I2979-L2983 HydrophobicContact CG2-CD1 3.64Å; I2979-L2983 HydrophobicContact CG2-CG 4.04Å; I2979-L2983 WeakPolarHBondContact O-CB 3.3Å; I2979-L2983 VanDerWaalsContact O-CG 3.27Å; I2979-L2983 WeakPolarHBondContact O-CG 3.23Å; I2979-L2983 PolarHBondContact O-N 3.16Å; N2980-L2983 PolarHBondContact O-N 2.89Å; L2981-L2983 PolarHBondContact O-N 3.07Å; L2983-M2985 VanDerWaalsContact C-N 3.33Å; L2983-M2985 PolarHBondContact O-N 2.83Å; L2983-Q2986 CarbonylContact O-C 3.46Å; L2983-Q2986 VanDerWaalsContact O-C 3.31Å; L2983-Q2986 PolarHBondContact O-N 2.74Å; L2983-T2987 PolarHBondContact O-N 2.79Å |
| 2984 | S | 74.5 | Confident | 69.7 | Low | 74.5 Ų | 74.5 | 47.2 Ų | 47.2 | 52% | 0.521 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -68 | -32.4 | 178.7 | 72.7 | 0 | 0 | 0 | 0 | 113.1 | N2980 L2981 | N2980-S2984 WeakPolarHBondContact O-CB 3.31Å; N2980-S2984 PolarHBondContact O-N 3.19Å; N2980-S2984 PolarHBondContact O-OG 2.84Å; L2981-S2984 PolarHBondContact O-N 2.74Å; L2981-S2984 PolarHBondContact O-OG 2.97Å |
| 2985 | M | 63.7 | Low | 68.2 | Low | 85.5 Ų | 85.5 | 52.9 Ų | 52.9 | 42% | 0.421 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -79.4 | -27 | -178.7 | -67.2 | -95.8 | 108 | 0 | 0 | 112.8 | L2981 A2982 L2983 F3002 Q3005 | L2981-M2985 HydrophobicContact CD1-CG 4.46Å; L2981-M2985 VanDerWaalsContact O-CG 3.24Å; L2981-M2985 WeakPolarHBondContact O-CG 3.21Å; L2981-M2985 PolarHBondContact O-N 3.02Å; A2982-M2985 PolarHBondContact O-N 3.15Å; L2983-M2985 VanDerWaalsContact C-N 3.33Å; L2983-M2985 PolarHBondContact O-N 2.83Å; M2985-F3002 HydrophobicContact CB-CD2 3.85Å; M2985-F3002 HydrophobicContact CB-CE2 4.06Å; M2985-F3002 HydrophobicContact CG-CD2 4.44Å; M2985-F3002 HydrophobicContact SD-CD2 4.41Å; M2985-Q3005 VanDerWaalsContact CE-CD 3.44Å; M2985-Q3005 HydrophobicContact SD-CB 4.11Å; M2985-Q3005 HydrophobicContact SD-CG 4.19Å; M2985-Q3005 PolarHBondContact SD-OE1 3.34Å |
| 2986 | Q | 62.8 | Low | 66.6 | Low | 62.5 Ų | 62.5 | 54.5 Ų | 54.5 | 29% | 0.292 | 30% | 0.302 | S | S | . | . | trans | -137.7 | 87.1 | -178.6 | -169.2 | 75.7 | -38.5 | 0 | 0 | 109.2 | A2982 L2983 D2988 F2992 | A2982-Q2986 PolarHBondContact O-N 2.91Å; L2983-Q2986 CarbonylContact O-C 3.46Å; L2983-Q2986 VanDerWaalsContact O-C 3.31Å; L2983-Q2986 PolarHBondContact O-N 2.74Å; Q2986-D2988 VanDerWaalsContact C-N 3.3Å; Q2986-D2988 PolarHBondContact O-N 2.76Å; Q2986-F2992 HydrophobicContact CB-CE2 3.79Å; Q2986-F2992 HydrophobicContact CB-CZ 3.74Å; Q2986-F2992 HydrophobicContact CG-CD2 4Å; Q2986-F2992 HydrophobicContact CG-CE1 4.48Å; Q2986-F2992 HydrophobicContact CG-CE2 3.49Å; Q2986-F2992 VanDerWaalsContact CG-CE2 3.44Å; Q2986-F2992 HydrophobicContact CG-CZ 3.75Å; Q2986-F2992 VanDerWaalsContact O-CE2 3.27Å; Q2986-F2992 WeakPolarHBondContact O-CE2 3.31Å | ||
| 2987 | T | 55.1 | Low | 65.4 | Low | 113 Ų | 113 | 58.9 Ų | 58.9 | 69% | 0.693 | 32% | 0.323 | S | S | * | . | trans | -76.1 | -22.9 | -177.8 | 52.3 | 0 | 0 | 0 | 0 | 113 | L2983 I2989 | L2983-T2987 PolarHBondContact O-N 2.79Å; T2987-I2989 PolarHBondContact O-N 3.08Å | ||
| 2988 | D | 55.9 | Low | 64.6 | Low | 82 Ų | 82 | 59.3 Ų | 59.3 | 44% | 0.439 | 32% | 0.318 | S | S | . | . | trans | -93 | 104.1 | -169.3 | -152.2 | -25.1 | 0 | 0 | 0 | 111.6 | Q2986 T2990 V2991 | Q2986-D2988 VanDerWaalsContact C-N 3.3Å; Q2986-D2988 PolarHBondContact O-N 2.76Å; D2988-T2990 VanDerWaalsContact CG-OG1 3.28Å; D2988-T2990 PolarHBondContact O-N 2.86Å; D2988-T2990 VanDerWaalsContact O-N 3.13Å; D2988-T2990 WeakPolarHBondContact OD1-CB 3.29Å; D2988-T2990 PolarHBondContact OD1-N 2.88Å; D2988-T2990 VanDerWaalsContact OD1-N 3.14Å; D2988-T2990 PolarHBondContact OD1-OG1 3.12Å; D2988-T2990 PolarHBondContact OD2-OG1 2.98Å; D2988-V2991 HydrophobicContact CB-CG2 4.03Å; D2988-V2991 PolarHBondContact O-N 2.87Å | ||
| 2989 | I | 52.6 | Low | 63.6 | Low | 56.5 Ų | 56.5 | 64.3 Ų | 64.3 | 29% | 0.29 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -50.3 | -37.7 | 176.6 | -64.9 | 167.3 | 0 | 0 | 0 | 111 | L2931 M2934 T2987 V2991 F2992 I2993 | L2931-I2989 HydrophobicContact CD2-CG2 4.08Å; M2934-I2989 HydrophobicContact CE-CD1 4.24Å; M2934-I2989 HydrophobicContact CE-CG1 3.94Å; M2934-I2989 HydrophobicContact SD-CD1 3.9Å; M2934-I2989 HydrophobicContact SD-CG1 3.82Å; T2987-I2989 PolarHBondContact O-N 3.08Å; I2989-V2991 PolarHBondContact O-N 3Å; I2989-F2992 WeakPolarHBondContact O-CB 3.42Å; I2989-F2992 PolarHBondContact O-N 3.05Å; I2989-F2992 VanDerWaalsContact O-N 3.12Å; I2989-I2993 HydrophobicContact CG2-CD1 3.67Å; I2989-I2993 HydrophobicContact CG2-CG1 4.26Å; I2989-I2993 WeakPolarHBondContact O-CG1 3.32Å; I2989-I2993 PolarHBondContact O-N 2.84Å; I2989-I2993 VanDerWaalsContact O-N 3.14Å |
| 2990 | T | 55.3 | Low | 62.9 | Low | 73 Ų | 73 | 68.7 Ų | 68.7 | 45% | 0.448 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -62.2 | -28.6 | -177.1 | 62 | 0 | 0 | 0 | 0 | 112.4 | D2988 N2994 | D2988-T2990 VanDerWaalsContact CG-OG1 3.28Å; D2988-T2990 PolarHBondContact O-N 2.86Å; D2988-T2990 VanDerWaalsContact O-N 3.13Å; D2988-T2990 WeakPolarHBondContact OD1-CB 3.29Å; D2988-T2990 PolarHBondContact OD1-N 2.88Å; D2988-T2990 VanDerWaalsContact OD1-N 3.14Å; D2988-T2990 PolarHBondContact OD1-OG1 3.12Å; D2988-T2990 PolarHBondContact OD2-OG1 2.98Å; T2990-N2994 VanDerWaalsContact O-CB 3.23Å; T2990-N2994 WeakPolarHBondContact O-CB 3.3Å; T2990-N2994 PolarHBondContact O-N 2.89Å; T2990-N2994 PolarHBondContact O-ND2 3.14Å; T2990-N2994 VanDerWaalsContact O-ND2 3.11Å |
| 2991 | V | 55 | Low | 62.6 | Low | 46.5 Ų | 46.5 | 69.7 Ų | 69.7 | 28% | 0.282 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -75.5 | -38.3 | 177.5 | -172 | 0 | 0 | 0 | 0 | 111.1 | D2988 I2989 I2993 N2994 Q2995 | D2988-V2991 HydrophobicContact CB-CG2 4.03Å; D2988-V2991 PolarHBondContact O-N 2.87Å; I2989-V2991 PolarHBondContact O-N 3Å; V2991-I2993 VanDerWaalsContact C-N 3.29Å; V2991-I2993 PolarHBondContact O-N 2.82Å; V2991-N2994 PolarHBondContact O-N 2.84Å; V2991-Q2995 HydrophobicContact CG1-CB 4.46Å; V2991-Q2995 PolarHBondContact O-N 3.1Å |
| 2992 | F | 55.2 | Low | 62.3 | Low | 9.5 Ų | 9.5 | 68.3 Ų | 68.3 | 4% | 0.042 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -60.6 | -39.9 | 173.2 | -74.4 | -80.3 | 0 | 0 | 0 | 112.1 | I2927 L2930 Q2986 I2989 F2998 | I2927-F2992 HydrophobicContact CG1-CD1 4.14Å; I2927-F2992 HydrophobicContact CG2-CB 4.12Å; I2927-F2992 HydrophobicContact CG2-CD1 4.31Å; L2930-F2992 HydrophobicContact CD1-CD1 4.37Å; L2930-F2992 HydrophobicContact CD1-CE1 3.4Å; L2930-F2992 VanDerWaalsContact CD1-CE1 3.43Å; L2930-F2992 HydrophobicContact CD1-CZ 3.61Å; Q2986-F2992 HydrophobicContact CB-CE2 3.79Å; Q2986-F2992 HydrophobicContact CB-CZ 3.74Å; Q2986-F2992 HydrophobicContact CG-CD2 4Å; Q2986-F2992 HydrophobicContact CG-CE1 4.48Å; Q2986-F2992 HydrophobicContact CG-CE2 3.49Å; Q2986-F2992 VanDerWaalsContact CG-CE2 3.44Å; Q2986-F2992 HydrophobicContact CG-CZ 3.75Å; Q2986-F2992 VanDerWaalsContact O-CE2 3.27Å; Q2986-F2992 WeakPolarHBondContact O-CE2 3.31Å; I2989-F2992 WeakPolarHBondContact O-CB 3.42Å; I2989-F2992 PolarHBondContact O-N 3.05Å; I2989-F2992 VanDerWaalsContact O-N 3.12Å; F2992-F2998 AromaticContact CD1-CE1 3.72Å; F2992-F2998 HydrophobicContact CD1-CE1 3.72Å; F2992-F2998 AromaticContact CD1-CZ 3.94Å; F2992-F2998 HydrophobicContact CD1-CZ 3.94Å; F2992-F2998 HydrophobicContact CE1-CD1 4.48Å; F2992-F2998 AromaticContact CE1-CE1 3.43Å; F2992-F2998 HydrophobicContact CE1-CE1 3.43Å; F2992-F2998 VanDerWaalsContact CE1-CE1 3.46Å; F2992-F2998 AromaticContact CE1-CZ 3.86Å; F2992-F2998 HydrophobicContact CE1-CZ 3.86Å |
| 2993 | I | 53.2 | Low | 62.4 | Low | 63 Ų | 63 | 70.8 Ų | 70.8 | 32% | 0.323 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -71.7 | -44.8 | -179.6 | -63 | 170.9 | 0 | 0 | 0 | 111 | Q2917 I2918 I2989 V2991 | Q2917-I2993 HydrophobicContact CB-CD1 4.17Å; I2918-I2993 HydrophobicContact CD1-CG1 4.36Å; I2918-I2993 HydrophobicContact CG1-CG1 4.09Å; I2989-I2993 HydrophobicContact CG2-CD1 3.67Å; I2989-I2993 HydrophobicContact CG2-CG1 4.26Å; I2989-I2993 WeakPolarHBondContact O-CG1 3.32Å; I2989-I2993 PolarHBondContact O-N 2.84Å; I2989-I2993 VanDerWaalsContact O-N 3.14Å; V2991-I2993 VanDerWaalsContact C-N 3.29Å; V2991-I2993 PolarHBondContact O-N 2.82Å |
| 2994 | N | 55.9 | Low | 62.6 | Low | 123.5 Ų | 123.5 | 71.9 Ų | 71.9 | 66% | 0.66 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -88.4 | -24.1 | -170.7 | -66.4 | -29.3 | 0 | 0 | 0 | 114 | T2990 V2991 | T2990-N2994 VanDerWaalsContact O-CB 3.23Å; T2990-N2994 WeakPolarHBondContact O-CB 3.3Å; T2990-N2994 PolarHBondContact O-N 2.89Å; T2990-N2994 PolarHBondContact O-ND2 3.14Å; T2990-N2994 VanDerWaalsContact O-ND2 3.11Å; V2991-N2994 PolarHBondContact O-N 2.84Å |
| 2995 | Q | 53.8 | Low | 62.9 | Low | 123.5 Ų | 123.5 | 72.3 Ų | 72.3 | 58% | 0.577 | 39% | 0.392 | S | S | * | . | trans | -131.6 | 97.2 | 177.6 | -68.1 | -161.1 | -6.6 | 0 | 0 | 110.4 | V2991 H2997 | V2991-Q2995 HydrophobicContact CG1-CB 4.46Å; V2991-Q2995 PolarHBondContact O-N 3.1Å; Q2995-H2997 PolarHBondContact O-N 2.83Å | ||
| 2996 | P | 52.2 | Low | 63.9 | Low | 34.5 Ų | 34.5 | 68.3 Ų | 68.3 | 22% | 0.224 | 37% | 0.373 | C | S | . | . | trans | -68.4 | 6.8 | 173.2 | 28.3 | -34 | 0 | 0 | 0 | 113.2 | I2927 L3031 | I2927-P2996 HydrophobicContact CD1-CB 4.46Å; P2996-L3031 HydrophobicContact CB-CD1 4.22Å; P2996-L3031 HydrophobicContact CG-CD1 3.63Å | ||
| 2997 | H | 58.2 | Low | 65 | Low | 132.5 Ų | 132.5 | 66 Ų | 66 | 61% | 0.613 | 36% | 0.362 | S | S | * | . | trans | -95.4 | 106 | 178.5 | -63 | -32 | 0 | 0 | 0 | 110.5 | Q2995 | Q2995-H2997 PolarHBondContact O-N 2.83Š| ||
| 2998 | F | 63.5 | Low | 66.4 | Low | 32.5 Ų | 32.5 | 64.8 Ų | 64.8 | 14% | 0.143 | 35% | 0.351 | C | S | . | . | trans | -71.4 | 136 | 168.8 | -66.8 | -67.4 | 0 | 0 | 0 | 111.1 | L2926 I2927 F2992 F3002 L3003 C3028 | L2926-F2998 HydrophobicContact CB-CE2 4.37Å; L2926-F2998 HydrophobicContact CD2-CD2 4.32Å; L2926-F2998 HydrophobicContact CD2-CE1 4.45Å; L2926-F2998 HydrophobicContact CD2-CE2 4.03Å; L2926-F2998 HydrophobicContact CD2-CZ 4.07Å; L2926-F2998 HydrophobicContact CG-CE2 4.36Å; L2926-F2998 HydrophobicContact CG-CZ 4.41Å; I2927-F2998 HydrophobicContact CD1-CE2 4.04Å; I2927-F2998 HydrophobicContact CD1-CZ 4.17Å; I2927-F2998 HydrophobicContact CG1-CE2 3.97Å; I2927-F2998 HydrophobicContact CG1-CZ 3.55Å; F2992-F2998 AromaticContact CD1-CE1 3.72Å; F2992-F2998 HydrophobicContact CD1-CE1 3.72Å; F2992-F2998 AromaticContact CD1-CZ 3.94Å; F2992-F2998 HydrophobicContact CD1-CZ 3.94Å; F2992-F2998 HydrophobicContact CE1-CD1 4.48Å; F2992-F2998 AromaticContact CE1-CE1 3.43Å; F2992-F2998 HydrophobicContact CE1-CE1 3.43Å; F2992-F2998 VanDerWaalsContact CE1-CE1 3.46Å; F2992-F2998 AromaticContact CE1-CZ 3.86Å; F2992-F2998 HydrophobicContact CE1-CZ 3.86Å; F2998-F3002 HydrophobicContact CB-CD1 3.75Å; F2998-F3002 HydrophobicContact CB-CE1 4.28Å; F2998-F3002 AromaticContact CD1-CD1 3.74Å; F2998-F3002 HydrophobicContact CD1-CD1 3.74Å; F2998-F3002 AromaticContact CD1-CE1 3.56Å; F2998-F3002 HydrophobicContact CD1-CE1 3.56Å; F2998-F3002 HydrophobicContact CD1-CZ 4.25Å; F2998-F3002 HydrophobicContact CD2-CE1 4.41Å; F2998-F3002 AromaticContact CE1-CE1 3.97Å; F2998-F3002 HydrophobicContact CE1-CE1 3.97Å; F2998-F3002 HydrophobicContact CE1-CZ 4.36Å; F2998-F3002 AromaticContact CG-CD1 3.81Å; F2998-F3002 HydrophobicContact CG-CD1 3.81Å; F2998-F3002 AromaticContact CG-CE1 3.82Å; F2998-F3002 HydrophobicContact CG-CE1 3.82Å; F2998-L3003 HydrophobicContact CB-CD1 4.26Å; F2998-L3003 HydrophobicContact CB-CD2 4.18Å; F2998-L3003 HydrophobicContact CB-CG 3.94Å; F2998-L3003 HydrophobicContact CD2-CD2 4.43Å; F2998-C3028 HydrophobicContact CD2-CB 3.99Å; F2998-C3028 WeakPolarHBondContact CD2-SG 3.28Å; F2998-C3028 HydrophobicContact CE2-CB 4.09Å | ||
| 2999 | N | 66.7 | Low | 67.9 | Low | 104 Ų | 104 | 62.5 Ų | 62.5 | 56% | 0.556 | 34% | 0.337 | S | S | * | . | trans | -59.7 | 143.6 | 173.9 | -168.4 | -13.3 | 0 | 0 | 0 | 110.2 | T3001 F3002 L3003 | N2999-T3001 PolarHBondContact ND2-OG1 3.02Å; N2999-T3001 VanDerWaalsContact ND2-OG1 3.07Å; N2999-T3001 PolarHBondContact O-N 2.89Å; N2999-T3001 PolarHBondContact OD1-N 2.93Å; N2999-T3001 PolarHBondContact OD1-OG1 3.06Å; N2999-F3002 HydrophobicContact CB-CB 4.39Å; N2999-F3002 WeakPolarHBondContact O-CB 3.28Å; N2999-F3002 PolarHBondContact O-N 2.7Å; N2999-L3003 PolarHBondContact O-N 3.07Å; N2999-L3003 VanDerWaalsContact O-N 3.15Å | ||
| 3000 | S | 68.9 | Low | 69.4 | Low | 92 Ų | 92 | 59.8 Ų | 59.8 | 64% | 0.643 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -58.8 | -30.8 | 178.2 | 60.1 | 0 | 0 | 0 | 0 | 112.4 | S3004 | S3000-S3004 VanDerWaalsContact O-CB 3.3Å; S3000-S3004 WeakPolarHBondContact O-CB 3.35Å; S3000-S3004 PolarHBondContact O-N 2.92Å |
| 3001 | T | 74.2 | Confident | 70.8 | Confident | 84 Ų | 84 | 59.1 Ų | 59.1 | 52% | 0.515 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -67.2 | -40.5 | 173.9 | 35.5 | 0 | 0 | 0 | 0 | 112.7 | N2999 S3004 Q3005 | N2999-T3001 PolarHBondContact ND2-OG1 3.02Å; N2999-T3001 VanDerWaalsContact ND2-OG1 3.07Å; N2999-T3001 PolarHBondContact O-N 2.89Å; N2999-T3001 PolarHBondContact OD1-N 2.93Å; N2999-T3001 PolarHBondContact OD1-OG1 3.06Å; T3001-S3004 PolarHBondContact O-N 2.8Å; T3001-Q3005 WeakPolarHBondContact O-CG 3.44Å; T3001-Q3005 PolarHBondContact O-N 2.78Å |
| 3002 | F | 77.6 | Confident | 72 | Confident | 16 Ų | 16 | 61 Ų | 61 | 7% | 0.07 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -61.5 | -50.3 | 176 | 174 | -93.5 | 0 | 0 | 0 | 111.1 | L2926 A2982 M2985 F2998 N2999 S3004 Q3005 L3006 | L2926-F3002 HydrophobicContact CD2-CE1 4.15Å; A2982-F3002 HydrophobicContact CB-CE2 4.38Å; A2982-F3002 HydrophobicContact CB-CZ 4.17Å; M2985-F3002 HydrophobicContact CB-CD2 3.85Å; M2985-F3002 HydrophobicContact CB-CE2 4.06Å; M2985-F3002 HydrophobicContact CG-CD2 4.44Å; M2985-F3002 HydrophobicContact SD-CD2 4.41Å; F2998-F3002 HydrophobicContact CB-CD1 3.75Å; F2998-F3002 HydrophobicContact CB-CE1 4.28Å; F2998-F3002 AromaticContact CD1-CD1 3.74Å; F2998-F3002 HydrophobicContact CD1-CD1 3.74Å; F2998-F3002 AromaticContact CD1-CE1 3.56Å; F2998-F3002 HydrophobicContact CD1-CE1 3.56Å; F2998-F3002 HydrophobicContact CD1-CZ 4.25Å; F2998-F3002 HydrophobicContact CD2-CE1 4.41Å; F2998-F3002 AromaticContact CE1-CE1 3.97Å; F2998-F3002 HydrophobicContact CE1-CE1 3.97Å; F2998-F3002 HydrophobicContact CE1-CZ 4.36Å; F2998-F3002 AromaticContact CG-CD1 3.81Å; F2998-F3002 HydrophobicContact CG-CD1 3.81Å; F2998-F3002 AromaticContact CG-CE1 3.82Å; F2998-F3002 HydrophobicContact CG-CE1 3.82Å; N2999-F3002 HydrophobicContact CB-CB 4.39Å; N2999-F3002 WeakPolarHBondContact O-CB 3.28Å; N2999-F3002 PolarHBondContact O-N 2.7Å; F3002-S3004 VanDerWaalsContact C-N 3.3Å; F3002-S3004 PolarHBondContact O-N 3.4Å; F3002-Q3005 PolarHBondContact O-N 3.06Å; F3002-L3006 HydrophobicContact CD1-CD1 4.04Å; F3002-L3006 HydrophobicContact CE1-CD1 3.42Å; F3002-L3006 VanDerWaalsContact CE1-CD1 3.42Å; F3002-L3006 HydrophobicContact CE1-CG 4.33Å; F3002-L3006 HydrophobicContact CE2-CD1 4.47Å; F3002-L3006 HydrophobicContact CZ-CD1 3.68Å; F3002-L3006 HydrophobicContact CZ-CG 4.41Å; F3002-L3006 PolarHBondContact O-N 3.07Å; F3002-L3006 VanDerWaalsContact O-N 3.12Å |
| 3003 | L | 78.8 | Confident | 73 | Confident | 51 Ų | 51 | 64.2 Ų | 64.2 | 27% | 0.267 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -62.1 | -38 | 177.2 | -69.4 | 174.3 | 0 | 0 | 0 | 111.8 | F2998 N2999 Q3005 L3006 E3007 | F2998-L3003 HydrophobicContact CB-CD1 4.26Å; F2998-L3003 HydrophobicContact CB-CD2 4.18Å; F2998-L3003 HydrophobicContact CB-CG 3.94Å; F2998-L3003 HydrophobicContact CD2-CD2 4.43Å; N2999-L3003 PolarHBondContact O-N 3.07Å; N2999-L3003 VanDerWaalsContact O-N 3.15Å; L3003-Q3005 VanDerWaalsContact C-N 3.33Å; L3003-Q3005 PolarHBondContact O-N 3.11Å; L3003-L3006 PolarHBondContact O-N 3Å; L3003-E3007 VanDerWaalsContact O-CB 3.3Å; L3003-E3007 WeakPolarHBondContact O-CB 3.5Å; L3003-E3007 PolarHBondContact O-N 3.15Å |
| 3004 | S | 80.6 | Confident | 74 | Confident | 51 Ų | 51 | 63.6 Ų | 63.6 | 36% | 0.357 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -64.7 | -34.7 | 176.3 | -177.1 | 0 | 0 | 0 | 0 | 112.9 | S3000 T3001 F3002 N3008 | S3000-S3004 VanDerWaalsContact O-CB 3.3Å; S3000-S3004 WeakPolarHBondContact O-CB 3.35Å; S3000-S3004 PolarHBondContact O-N 2.92Å; T3001-S3004 PolarHBondContact O-N 2.8Å; F3002-S3004 VanDerWaalsContact C-N 3.3Å; F3002-S3004 PolarHBondContact O-N 3.4Å; S3004-N3008 WeakPolarHBondContact O-CB 3.19Å; S3004-N3008 PolarHBondContact O-N 3.15Å; S3004-N3008 PolarHBondContact O-ND2 3.47Å; S3004-N3008 PolarHBondContact O-OD1 2.99Å |
| 3005 | Q | 82.5 | Confident | 75 | Confident | 82 Ų | 82 | 58.2 Ų | 58.2 | 38% | 0.383 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -73.7 | -41 | 177.3 | -70.9 | -158.9 | 15.9 | 0 | 0 | 112.2 | M2985 T3001 F3002 L3003 E3007 N3008 Y3009 | M2985-Q3005 VanDerWaalsContact CE-CD 3.44Å; M2985-Q3005 HydrophobicContact SD-CB 4.11Å; M2985-Q3005 HydrophobicContact SD-CG 4.19Å; M2985-Q3005 PolarHBondContact SD-OE1 3.34Å; T3001-Q3005 WeakPolarHBondContact O-CG 3.44Å; T3001-Q3005 PolarHBondContact O-N 2.78Å; F3002-Q3005 PolarHBondContact O-N 3.06Å; L3003-Q3005 VanDerWaalsContact C-N 3.33Å; L3003-Q3005 PolarHBondContact O-N 3.11Å; Q3005-E3007 VanDerWaalsContact C-N 3.28Å; Q3005-E3007 PolarHBondContact O-N 3.35Å; Q3005-N3008 WeakPolarHBondContact O-CB 3.3Å; Q3005-N3008 PolarHBondContact O-N 3.16Å; Q3005-Y3009 PolarHBondContact O-N 3.37Å |
| 3006 | L | 84.4 | Confident | 76.2 | Confident | 1 Ų | 1 | 59.2 Ų | 59.2 | 1% | 0.005 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -62.1 | -39.6 | 171.7 | -64.4 | -177.8 | 0 | 0 | 0 | 111.3 | L2926 F2978 L2981 A2982 F3002 L3003 N3008 Y3009 L3010 L3024 | L2926-L3006 HydrophobicContact CD2-CD1 4.11Å; F2978-L3006 HydrophobicContact CD2-CD2 4.43Å; F2978-L3006 HydrophobicContact CE2-CB 4.23Å; F2978-L3006 HydrophobicContact CE2-CD2 4.01Å; F2978-L3006 HydrophobicContact CZ-CD1 4.16Å; F2978-L3006 HydrophobicContact CZ-CD2 4.15Å; L2981-L3006 HydrophobicContact CD2-CD2 4.24Å; L2981-L3006 HydrophobicContact CG-CD2 4.41Å; A2982-L3006 HydrophobicContact CB-CD2 4.08Å; F3002-L3006 HydrophobicContact CD1-CD1 4.04Å; F3002-L3006 HydrophobicContact CE1-CD1 3.42Å; F3002-L3006 VanDerWaalsContact CE1-CD1 3.42Å; F3002-L3006 HydrophobicContact CE1-CG 4.33Å; F3002-L3006 HydrophobicContact CE2-CD1 4.47Å; F3002-L3006 HydrophobicContact CZ-CD1 3.68Å; F3002-L3006 HydrophobicContact CZ-CG 4.41Å; F3002-L3006 PolarHBondContact O-N 3.07Å; F3002-L3006 VanDerWaalsContact O-N 3.12Å; L3003-L3006 PolarHBondContact O-N 3Å; L3006-N3008 VanDerWaalsContact C-N 3.34Å; L3006-N3008 PolarHBondContact O-N 3.36Å; L3006-Y3009 PolarHBondContact O-N 3.49Å; L3006-L3010 WeakPolarHBondContact O-CG 3.48Å; L3006-L3010 PolarHBondContact O-N 3.21Å; L3006-L3024 HydrophobicContact CB-CD1 4.27Å; L3006-L3024 HydrophobicContact CB-CD2 4.07Å; L3006-L3024 HydrophobicContact CD1-CD2 4.39Å |
| 3007 | E | 84.8 | Confident | 77.5 | Confident | 16 Ų | 16 | 62 Ų | 62 | 8% | 0.075 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -58.5 | -47 | 172.5 | -173.9 | -169.2 | 140.2 | 0 | 0 | 110.7 | L3003 Q3005 Y3009 L3010 V3011 Q3017 A3020 R3021 L3024 | L3003-E3007 VanDerWaalsContact O-CB 3.3Å; L3003-E3007 WeakPolarHBondContact O-CB 3.5Å; L3003-E3007 PolarHBondContact O-N 3.15Å; Q3005-E3007 VanDerWaalsContact C-N 3.28Å; Q3005-E3007 PolarHBondContact O-N 3.35Å; E3007-Y3009 VanDerWaalsContact C-N 3.34Å; E3007-Y3009 PolarHBondContact O-N 3.03Å; E3007-L3010 PolarHBondContact O-N 2.92Å; E3007-V3011 WeakPolarHBondContact O-CB 3.32Å; E3007-V3011 VanDerWaalsContact O-CG2 3.26Å; E3007-V3011 WeakPolarHBondContact O-CG2 3.35Å; E3007-V3011 PolarHBondContact O-N 3.35Å; E3007-Q3017 HydrophobicContact CG-CG 4.49Å; E3007-Q3017 WeakPolarHBondContact OE1-CG 3.41Å; E3007-Q3017 PolarHBondContact OE1-NE2 3.14Å; E3007-A3020 HydrophobicContact CG-CB 4.29Å; E3007-R3021 VanDerWaalsContact CD-NE 3.28Å; E3007-R3021 HydrophobicContact CG-CG 4.15Å; E3007-R3021 IonicContact OE1-CZ 3.12Å; E3007-R3021 IonicContact OE1-NE 2.91Å; E3007-R3021 PolarHBondContact OE1-NE 3.02Å; E3007-R3021 IonicContact OE1-NH2 2.79Å; E3007-R3021 PolarHBondContact OE1-NH2 2.84Å; E3007-R3021 WeakPolarHBondContact OE2-CG 3.39Å; E3007-R3021 IonicContact OE2-CZ 3.6Å; E3007-R3021 IonicContact OE2-NE 3.44Å; E3007-R3021 PolarHBondContact OE2-NE 3.17Å; E3007-R3021 IonicContact OE2-NH2 3.51Å; E3007-L3024 HydrophobicContact CB-CD1 3.82Å |
| 3008 | N | 85.7 | Confident | 78.5 | Confident | 87 Ų | 87 | 66.4 Ų | 66.4 | 47% | 0.465 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -62.8 | -39.1 | 178.2 | -70 | -21.7 | 0 | 0 | 0 | 112.3 | S3004 Q3005 L3006 V3011 S3012 | S3004-N3008 WeakPolarHBondContact O-CB 3.19Å; S3004-N3008 PolarHBondContact O-N 3.15Å; S3004-N3008 PolarHBondContact O-ND2 3.47Å; S3004-N3008 PolarHBondContact O-OD1 2.99Å; Q3005-N3008 WeakPolarHBondContact O-CB 3.3Å; Q3005-N3008 PolarHBondContact O-N 3.16Å; L3006-N3008 VanDerWaalsContact C-N 3.34Å; L3006-N3008 PolarHBondContact O-N 3.36Å; N3008-V3011 PolarHBondContact O-N 2.97Å; N3008-S3012 WeakPolarHBondContact O-CB 3.4Å; N3008-S3012 PolarHBondContact O-N 2.87Å; N3008-S3012 PolarHBondContact O-OG 3.01Å |
| 3009 | Y | 87.2 | Confident | 79.3 | Confident | 33 Ų | 33 | 68.3 Ų | 68.3 | 13% | 0.129 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -60.7 | -48.7 | 174.9 | -178.3 | -88.6 | 0 | 0 | 0 | 111.3 | F2974 G2977 F2978 L2981 Q3005 L3006 E3007 V3011 S3012 H3013 | F2974-Y3009 AromaticContact CD2-CE1 3.85Å; F2974-Y3009 HydrophobicContact CD2-CE1 3.85Å; F2974-Y3009 HydrophobicContact CE2-CD1 4.37Å; F2974-Y3009 AromaticContact CE2-CE1 3.73Å; F2974-Y3009 HydrophobicContact CE2-CE1 3.73Å; F2974-Y3009 HydrophobicContact CZ-CE1 4.47Å; F2974-Y3009 PolarHBondContact O-OH 3.01Å; G2977-Y3009 WeakPolarHBondContact CA-OH 3.33Å; F2978-Y3009 HydrophobicContact CB-CD1 4.21Å; F2978-Y3009 HydrophobicContact CB-CE1 3.73Å; F2978-Y3009 AromaticContact CD2-CD1 3.77Å; F2978-Y3009 HydrophobicContact CD2-CD1 3.77Å; F2978-Y3009 HydrophobicContact CD2-CE1 4.11Å; F2978-Y3009 HydrophobicContact CG-CD1 4.49Å; F2978-Y3009 HydrophobicContact CG-CE1 4.45Å; F2978-Y3009 PolarHBondContact N-OH 2.94Å; L2981-Y3009 HydrophobicContact CD2-CD2 3.91Å; L2981-Y3009 HydrophobicContact CD2-CG 4.02Å; Q3005-Y3009 PolarHBondContact O-N 3.37Å; L3006-Y3009 PolarHBondContact O-N 3.49Å; E3007-Y3009 VanDerWaalsContact C-N 3.34Å; E3007-Y3009 PolarHBondContact O-N 3.03Å; Y3009-V3011 VanDerWaalsContact C-N 3.33Å; Y3009-V3011 PolarHBondContact O-N 3.37Å; Y3009-S3012 PolarHBondContact O-N 3.29Å; Y3009-S3012 PolarHBondContact O-OG 2.88Å; Y3009-H3013 AromaticContact CD1-ND1 3.98Å; Y3009-H3013 AromaticContact CD2-CE1 3.92Å; Y3009-H3013 AromaticContact CE1-CE1 3.77Å; Y3009-H3013 AromaticContact CE1-ND1 3.75Å; Y3009-H3013 AromaticContact CE2-CE1 3.35Å; Y3009-H3013 WeakPolarHBondContact CE2-CE1 3.34Å; Y3009-H3013 AromaticContact CE2-ND1 3.96Å; Y3009-H3013 AromaticContact CZ-CE1 3.25Å; Y3009-H3013 AromaticContact CZ-ND1 3.73Å; Y3009-H3013 AromaticContact CZ-NE2 3.78Å; Y3009-H3013 PolarHBondContact O-N 3.4Å; Y3009-H3013 PolarHBondContact O-ND1 3.27Å; Y3009-H3013 PolarHBondContact OH-CE1 2.86Å; Y3009-H3013 PolarHBondContact OH-NE2 3.42Å |
| 3010 | L | 84.7 | Confident | 79.9 | Confident | 0 Ų | 0 | 63.4 Ų | 63.4 | 0% | 0 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -61 | -41.9 | 176.8 | -66.7 | 176.7 | 0 | 0 | 0 | 111.8 | L2816 L2819 F2974 F2978 L3006 E3007 H3013 G3014 V3015 A3020 L3024 | L2816-L3010 HydrophobicContact CD1-CD2 4.45Å; L2819-L3010 HydrophobicContact CD1-CD1 4.05Å; L2819-L3010 HydrophobicContact CD1-CD2 4.28Å; F2974-L3010 HydrophobicContact CE2-CD2 4.14Å; F2974-L3010 HydrophobicContact CZ-CD2 3.66Å; F2978-L3010 HydrophobicContact CD2-CD2 4.15Å; F2978-L3010 HydrophobicContact CE2-CD1 4.48Å; F2978-L3010 HydrophobicContact CE2-CD2 4.08Å; F2978-L3010 HydrophobicContact CE2-CG 4.2Å; L3006-L3010 WeakPolarHBondContact O-CG 3.48Å; L3006-L3010 PolarHBondContact O-N 3.21Å; E3007-L3010 PolarHBondContact O-N 2.92Å; L3010-H3013 CarbonylContact O-C 3.41Å; L3010-H3013 PolarHBondContact O-N 2.86Å; L3010-G3014 PolarHBondContact O-N 3.44Å; L3010-V3015 HydrophobicContact CB-CB 4.07Å; L3010-V3015 HydrophobicContact CB-CG2 4.21Å; L3010-V3015 VanDerWaalsContact O-CB 3.28Å; L3010-V3015 WeakPolarHBondContact O-CB 3.26Å; L3010-V3015 WeakPolarHBondContact O-CG2 3.42Å; L3010-V3015 PolarHBondContact O-N 3.16Å; L3010-A3020 HydrophobicContact CB-CB 3.96Å; L3010-A3020 HydrophobicContact CD1-CB 4.02Å; L3010-L3024 HydrophobicContact CD1-CD1 4.03Å; L3010-L3024 HydrophobicContact CD1-CD2 4.14Å; L3010-L3024 HydrophobicContact CD1-CG 3.89Å |
| 3011 | V | 83.5 | Confident | 80.5 | Confident | 58 Ų | 58 | 65 Ų | 65 | 35% | 0.352 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -64.5 | -40.3 | 177.2 | 171.5 | 0 | 0 | 0 | 0 | 111.5 | E3007 N3008 Y3009 H3013 G3014 V3015 Q3017 A3020 | E3007-V3011 WeakPolarHBondContact O-CB 3.32Å; E3007-V3011 VanDerWaalsContact O-CG2 3.26Å; E3007-V3011 WeakPolarHBondContact O-CG2 3.35Å; E3007-V3011 PolarHBondContact O-N 3.35Å; N3008-V3011 PolarHBondContact O-N 2.97Å; Y3009-V3011 VanDerWaalsContact C-N 3.33Å; Y3009-V3011 PolarHBondContact O-N 3.37Å; V3011-H3013 PolarHBondContact O-N 2.96Å; V3011-G3014 PolarHBondContact O-N 2.79Å; V3011-V3015 WeakPolarHBondContact CA-O 3.42Å; V3011-Q3017 HydrophobicContact CG2-CB 4.06Å; V3011-Q3017 HydrophobicContact CG2-CG 4.23Å; V3011-A3020 HydrophobicContact CG2-CB 4.47Å |
| 3012 | S | 79.5 | Confident | 80.8 | Confident | 86 Ų | 86 | 67.4 Ų | 67.4 | 60% | 0.601 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -64 | -23.9 | 176.2 | 70.7 | 0 | 0 | 0 | 0 | 113.3 | N3008 Y3009 | N3008-S3012 WeakPolarHBondContact O-CB 3.4Å; N3008-S3012 PolarHBondContact O-N 2.87Å; N3008-S3012 PolarHBondContact O-OG 3.01Å; Y3009-S3012 PolarHBondContact O-N 3.29Å; Y3009-S3012 PolarHBondContact O-OG 2.88Å |
| 3013 | H | 76.4 | Confident | 80.8 | Confident | 78 Ų | 78 | 67.1 Ų | 67.1 | 36% | 0.361 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.6 | 18 | 175.1 | -69.2 | 75.7 | 0 | 0 | 0 | 113.1 | S2823 F2974 Y3009 L3010 V3011 | S2823-H3013 WeakPolarHBondContact CB-O 3.28Å; S2823-H3013 PolarHBondContact OG-O 2.85Å; S2823-H3013 VanDerWaalsContact OG-O 3.13Å; F2974-H3013 HydrophobicContact CD2-CB 4.11Å; F2974-H3013 AromaticContact CD2-CD2 3.71Å; F2974-H3013 AromaticContact CD2-CG 3.85Å; F2974-H3013 HydrophobicContact CE2-CB 3.93Å; Y3009-H3013 AromaticContact CD1-ND1 3.98Å; Y3009-H3013 AromaticContact CD2-CE1 3.92Å; Y3009-H3013 AromaticContact CE1-CE1 3.77Å; Y3009-H3013 AromaticContact CE1-ND1 3.75Å; Y3009-H3013 AromaticContact CE2-CE1 3.35Å; Y3009-H3013 WeakPolarHBondContact CE2-CE1 3.34Å; Y3009-H3013 AromaticContact CE2-ND1 3.96Å; Y3009-H3013 AromaticContact CZ-CE1 3.25Å; Y3009-H3013 AromaticContact CZ-ND1 3.73Å; Y3009-H3013 AromaticContact CZ-NE2 3.78Å; Y3009-H3013 PolarHBondContact O-N 3.4Å; Y3009-H3013 PolarHBondContact O-ND1 3.27Å; Y3009-H3013 PolarHBondContact OH-CE1 2.86Å; Y3009-H3013 PolarHBondContact OH-NE2 3.42Å; L3010-H3013 CarbonylContact O-C 3.41Å; L3010-H3013 PolarHBondContact O-N 2.86Å; V3011-H3013 PolarHBondContact O-N 2.96Å |
| 3014 | G | 75.4 | Confident | 80.8 | Confident | 51 Ų | 51 | 65 Ų | 65 | 53% | 0.526 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 90 | 3.8 | 172 | 0 | 0 | 0 | 0 | 0 | 116.1 | L3010 V3011 | L3010-G3014 PolarHBondContact O-N 3.44Å; V3011-G3014 PolarHBondContact O-N 2.79Å |
| 3015 | V | 77.3 | Confident | 80.6 | Confident | 9 Ų | 9 | 67.8 Ų | 67.8 | 6% | 0.055 | 32% | 0.323 | C | S | . | . | trans | -77 | 126.5 | 176.4 | -175.9 | 0 | 0 | 0 | 0 | 110 | L2819 L3010 V3011 Q3017 K3019 A3020 | L2819-V3015 HydrophobicContact CD2-CG1 3.81Å; L3010-V3015 HydrophobicContact CB-CB 4.07Å; L3010-V3015 HydrophobicContact CB-CG2 4.21Å; L3010-V3015 VanDerWaalsContact O-CB 3.28Å; L3010-V3015 WeakPolarHBondContact O-CB 3.26Å; L3010-V3015 WeakPolarHBondContact O-CG2 3.42Å; L3010-V3015 PolarHBondContact O-N 3.16Å; V3011-V3015 WeakPolarHBondContact CA-O 3.42Å; V3015-Q3017 PolarHBondContact O-N 2.94Å; V3015-K3019 HydrophobicContact CG1-CB 4.45Å; V3015-A3020 HydrophobicContact CB-CB 4.47Å; V3015-A3020 HydrophobicContact CG1-CB 3.86Å | ||
| 3016 | K | 78.7 | Confident | 80.2 | Confident | 144 Ų | 144 | 66.5 Ų | 66.5 | 63% | 0.626 | 32% | 0.318 | S | S | * | . | trans | -57 | 130.9 | 176.2 | -67.5 | -180 | -177.3 | 168.3 | 0 | 110.7 | R3018 K3019 A3020 | K3016-R3018 VanDerWaalsContact C-N 3.29Å; K3016-R3018 PolarHBondContact O-N 3.33Å; K3016-R3018 VanDerWaalsContact O-N 3.09Å; K3016-K3019 HydrophobicContact CB-CB 4.41Å; K3016-K3019 CarbonylContact O-C 3.58Å; K3016-K3019 WeakPolarHBondContact O-CA 3.25Å; K3016-K3019 WeakPolarHBondContact O-CB 3.49Å; K3016-K3019 PolarHBondContact O-N 2.93Å; K3016-A3020 PolarHBondContact O-N 3.31Å | ||
| 3017 | Q | 79.6 | Confident | 79.8 | Confident | 93 Ų | 93 | 66.5 Ų | 66.5 | 44% | 0.435 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -49.7 | -42.9 | -176 | -166.9 | 176.1 | 26 | 0 | 0 | 114.5 | E3007 V3011 V3015 K3019 A3020 R3021 | E3007-Q3017 HydrophobicContact CG-CG 4.49Å; E3007-Q3017 WeakPolarHBondContact OE1-CG 3.41Å; E3007-Q3017 PolarHBondContact OE1-NE2 3.14Å; V3011-Q3017 HydrophobicContact CG2-CB 4.06Å; V3011-Q3017 HydrophobicContact CG2-CG 4.23Å; V3015-Q3017 PolarHBondContact O-N 2.94Å; Q3017-K3019 VanDerWaalsContact C-N 3.35Å; Q3017-K3019 PolarHBondContact O-N 3.35Å; Q3017-A3020 PolarHBondContact O-N 3.46Å; Q3017-R3021 WeakPolarHBondContact O-CG 3.48Å; Q3017-R3021 PolarHBondContact O-N 3.01Å |
| 3018 | R | 79.2 | Confident | 79.3 | Confident | 226 Ų | 226 | 66.6 Ų | 66.6 | 85% | 0.853 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -63 | -39.2 | 176.6 | -70.8 | -173.7 | -178.1 | 179 | 0.5 | 112.7 | K3016 Y3022 | K3016-R3018 VanDerWaalsContact C-N 3.29Å; K3016-R3018 PolarHBondContact O-N 3.33Å; K3016-R3018 VanDerWaalsContact O-N 3.09Å; R3018-Y3022 WeakPolarHBondContact O-CB 3.41Å; R3018-Y3022 PolarHBondContact O-N 3.03Å |
| 3019 | K | 79.9 | Confident | 78.3 | Confident | 73 Ų | 73 | 65.6 Ų | 65.6 | 32% | 0.317 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -74.5 | -40.6 | 178.4 | -173.2 | 61.2 | 167 | 168.1 | 0 | 110.8 | V3015 K3016 Q3017 R3021 Y3022 E3023 | V3015-K3019 HydrophobicContact CG1-CB 4.45Å; K3016-K3019 HydrophobicContact CB-CB 4.41Å; K3016-K3019 CarbonylContact O-C 3.58Å; K3016-K3019 WeakPolarHBondContact O-CA 3.25Å; K3016-K3019 WeakPolarHBondContact O-CB 3.49Å; K3016-K3019 PolarHBondContact O-N 2.93Å; Q3017-K3019 VanDerWaalsContact C-N 3.35Å; Q3017-K3019 PolarHBondContact O-N 3.35Å; K3019-R3021 PolarHBondContact O-N 3.03Å; K3019-Y3022 HydrophobicContact CD-CD1 4.36Å; K3019-Y3022 PolarHBondContact O-N 3.35Å; K3019-E3023 HydrophobicContact CD-CG 4.16Å; K3019-E3023 WeakPolarHBondContact CE-OE1 3.36Å; K3019-E3023 HydrophobicContact CG-CG 4.43Å; K3019-E3023 IonicContact NZ-OE1 3.07Å; K3019-E3023 PolarHBondContact NZ-OE1 3.34Å; K3019-E3023 WeakPolarHBondContact O-CG 3.25Å; K3019-E3023 PolarHBondContact O-N 2.9Å |
| 3020 | A | 79.8 | Confident | 76.7 | Confident | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -55.9 | -49.2 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | E3007 L3010 V3011 V3015 K3016 Q3017 Y3022 E3023 L3024 | E3007-A3020 HydrophobicContact CG-CB 4.29Å; L3010-A3020 HydrophobicContact CB-CB 3.96Å; L3010-A3020 HydrophobicContact CD1-CB 4.02Å; V3011-A3020 HydrophobicContact CG2-CB 4.47Å; V3015-A3020 HydrophobicContact CB-CB 4.47Å; V3015-A3020 HydrophobicContact CG1-CB 3.86Å; K3016-A3020 PolarHBondContact O-N 3.31Å; Q3017-A3020 PolarHBondContact O-N 3.46Å; A3020-Y3022 PolarHBondContact O-N 3.47Å; A3020-E3023 PolarHBondContact O-N 3.19Å; A3020-L3024 VanDerWaalsContact O-CB 3.3Å; A3020-L3024 WeakPolarHBondContact O-CB 3.32Å; A3020-L3024 VanDerWaalsContact O-CG 3.25Å; A3020-L3024 WeakPolarHBondContact O-CG 3.36Å; A3020-L3024 PolarHBondContact O-N 3.24Å |
| 3021 | R | 79.9 | Confident | 75 | Confident | 126 Ų | 126 | 72.4 Ų | 72.4 | 48% | 0.475 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -59.2 | -47.2 | 174.2 | -78 | -175.5 | -178.9 | 134.9 | 9.6 | 113 | E3007 Q3017 K3019 H3025 | E3007-R3021 VanDerWaalsContact CD-NE 3.28Å; E3007-R3021 HydrophobicContact CG-CG 4.15Å; E3007-R3021 IonicContact OE1-CZ 3.12Å; E3007-R3021 IonicContact OE1-NE 2.91Å; E3007-R3021 PolarHBondContact OE1-NE 3.02Å; E3007-R3021 IonicContact OE1-NH2 2.79Å; E3007-R3021 PolarHBondContact OE1-NH2 2.84Å; E3007-R3021 WeakPolarHBondContact OE2-CG 3.39Å; E3007-R3021 IonicContact OE2-CZ 3.6Å; E3007-R3021 IonicContact OE2-NE 3.44Å; E3007-R3021 PolarHBondContact OE2-NE 3.17Å; E3007-R3021 IonicContact OE2-NH2 3.51Å; Q3017-R3021 WeakPolarHBondContact O-CG 3.48Å; Q3017-R3021 PolarHBondContact O-N 3.01Å; K3019-R3021 PolarHBondContact O-N 3.03Å; R3021-H3025 VanDerWaalsContact O-CB 3.25Å; R3021-H3025 WeakPolarHBondContact O-CB 3.28Å; R3021-H3025 PolarHBondContact O-N 3.22Å |
| 3022 | Y | 80.8 | Confident | 73 | Confident | 134 Ų | 134 | 77.1 Ų | 77.1 | 53% | 0.525 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -61 | -47.2 | -179.4 | 177.3 | -100.7 | 0 | 0 | 0 | 111.9 | R3018 K3019 A3020 H3025 L3026 | R3018-Y3022 WeakPolarHBondContact O-CB 3.41Å; R3018-Y3022 PolarHBondContact O-N 3.03Å; K3019-Y3022 HydrophobicContact CD-CD1 4.36Å; K3019-Y3022 PolarHBondContact O-N 3.35Å; A3020-Y3022 PolarHBondContact O-N 3.47Å; Y3022-H3025 WeakPolarHBondContact O-CB 3.37Å; Y3022-H3025 PolarHBondContact O-N 3.45Å; Y3022-L3026 HydrophobicContact CD1-CD1 3.98Å; Y3022-L3026 HydrophobicContact CE1-CD1 3.38Å; Y3022-L3026 HydrophobicContact CE1-CG 4.31Å; Y3022-L3026 HydrophobicContact CE2-CD1 4.47Å; Y3022-L3026 WeakPolarHBondContact O-CG 3.25Å; Y3022-L3026 PolarHBondContact O-N 3.17Å |
| 3023 | E | 77.6 | Confident | 70.8 | Confident | 10 Ų | 10 | 78.2 Ų | 78.2 | 5% | 0.047 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -72.2 | -36.4 | 179.9 | -66.4 | -57.8 | 154.1 | 0 | 0 | 112.7 | R2815 L2819 K3019 A3020 H3025 L3026 L3027 | R2815-E3023 IonicContact NH1-OE2 2.84Å; R2815-E3023 PolarHBondContact NH1-OE2 3.18Å; L2819-E3023 HydrophobicContact CD1-CB 3.74Å; L2819-E3023 HydrophobicContact CD1-CG 4.3Å; L2819-E3023 HydrophobicContact CD2-CB 3.81Å; L2819-E3023 HydrophobicContact CD2-CG 3.57Å; L2819-E3023 HydrophobicContact CG-CB 3.99Å; L2819-E3023 HydrophobicContact CG-CG 3.98Å; K3019-E3023 HydrophobicContact CD-CG 4.16Å; K3019-E3023 WeakPolarHBondContact CE-OE1 3.36Å; K3019-E3023 HydrophobicContact CG-CG 4.43Å; K3019-E3023 IonicContact NZ-OE1 3.07Å; K3019-E3023 PolarHBondContact NZ-OE1 3.34Å; K3019-E3023 WeakPolarHBondContact O-CG 3.25Å; K3019-E3023 PolarHBondContact O-N 2.9Å; A3020-E3023 PolarHBondContact O-N 3.19Å; E3023-H3025 PolarHBondContact O-N 3.17Å; E3023-L3026 CarbonylContact O-C 3.19Å; E3023-L3026 PolarHBondContact O-N 3.35Å; E3023-L3027 WeakPolarHBondContact O-CB 3.46Å; E3023-L3027 WeakPolarHBondContact O-CG 3.27Å; E3023-L3027 PolarHBondContact O-N 3.42Å |
| 3024 | L | 79.4 | Confident | 68.6 | Low | 8 Ų | 8 | 82.1 Ų | 82.1 | 4% | 0.042 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -60.8 | -36.5 | 170.9 | -75.9 | 171.7 | 0 | 0 | 0 | 111.5 | F2978 L3006 E3007 L3010 A3020 L3026 L3027 C3028 | F2978-L3024 HydrophobicContact CZ-CD2 4.39Å; L3006-L3024 HydrophobicContact CB-CD1 4.27Å; L3006-L3024 HydrophobicContact CB-CD2 4.07Å; L3006-L3024 HydrophobicContact CD1-CD2 4.39Å; E3007-L3024 HydrophobicContact CB-CD1 3.82Å; L3010-L3024 HydrophobicContact CD1-CD1 4.03Å; L3010-L3024 HydrophobicContact CD1-CD2 4.14Å; L3010-L3024 HydrophobicContact CD1-CG 3.89Å; A3020-L3024 VanDerWaalsContact O-CB 3.3Å; A3020-L3024 WeakPolarHBondContact O-CB 3.32Å; A3020-L3024 VanDerWaalsContact O-CG 3.25Å; A3020-L3024 WeakPolarHBondContact O-CG 3.36Å; A3020-L3024 PolarHBondContact O-N 3.24Å; L3024-L3026 VanDerWaalsContact C-N 3.3Å; L3024-L3026 PolarHBondContact O-N 3.47Å; L3024-L3027 HydrophobicContact CD2-CD1 4.42Å; L3024-L3027 PolarHBondContact O-N 2.83Å; L3024-C3028 PolarHBondContact O-N 3.27Å |
| 3025 | H | 76 | Confident | 66.3 | Low | 109 Ų | 109 | 85.2 Ų | 85.2 | 51% | 0.505 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -72.5 | -22.1 | 175.2 | -163.9 | -54.8 | 0 | 0 | 0 | 112.7 | R3021 Y3022 E3023 C3028 P3029 P3030 | R3021-H3025 VanDerWaalsContact O-CB 3.25Å; R3021-H3025 WeakPolarHBondContact O-CB 3.28Å; R3021-H3025 PolarHBondContact O-N 3.22Å; Y3022-H3025 WeakPolarHBondContact O-CB 3.37Å; Y3022-H3025 PolarHBondContact O-N 3.45Å; E3023-H3025 PolarHBondContact O-N 3.17Å; H3025-C3028 CarbonylContact O-C 3.51Å; H3025-P3029 VanDerWaalsContact O-CA 3.23Å; H3025-P3029 WeakPolarHBondContact O-CA 3.42Å; H3025-P3029 VanDerWaalsContact O-N 3.16Å; H3025-P3030 WeakPolarHBondContact CE1-CD 3.49Å; H3025-P3030 WeakPolarHBondContact CE1-CG 3.29Å; H3025-P3030 WeakPolarHBondContact ND1-CD 3.24Å |
| 3026 | L | 75.2 | Confident | 63.9 | Low | 55 Ų | 55 | 89.6 Ų | 89.6 | 29% | 0.288 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -84 | -33.9 | 170.6 | -69.5 | 177.2 | 0 | 0 | 0 | 112.6 | R2815 Y3022 E3023 L3024 C3028 P3029 | R2815-L3026 VanDerWaalsContact NH1-CB 3.28Å; Y3022-L3026 HydrophobicContact CD1-CD1 3.98Å; Y3022-L3026 HydrophobicContact CE1-CD1 3.38Å; Y3022-L3026 HydrophobicContact CE1-CG 4.31Å; Y3022-L3026 HydrophobicContact CE2-CD1 4.47Å; Y3022-L3026 WeakPolarHBondContact O-CG 3.25Å; Y3022-L3026 PolarHBondContact O-N 3.17Å; E3023-L3026 CarbonylContact O-C 3.19Å; E3023-L3026 PolarHBondContact O-N 3.35Å; L3024-L3026 VanDerWaalsContact C-N 3.3Å; L3024-L3026 PolarHBondContact O-N 3.47Å; L3026-C3028 VanDerWaalsContact C-N 3.27Å; L3026-P3029 WeakPolarHBondContact O-CD 3.23Å |
| 3027 | L | 74.9 | Confident | 61.5 | Low | 0 Ų | 0 | 88.3 Ų | 88.3 | 0% | 0 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -67.3 | -32.3 | 171.6 | -75.3 | 169.3 | 0 | 0 | 0 | 111.4 | R2815 T2924 Q2925 L2926 E3023 L3024 | R2815-L3027 HydrophobicContact CB-CD2 3.93Å; T2924-L3027 WeakPolarHBondContact CB-O 3.5Å; Q2925-L3027 HydrophobicContact CB-CD2 4.31Å; Q2925-L3027 PolarHBondContact N-O 2.9Å; Q2925-L3027 VanDerWaalsContact N-O 3.17Å; L2926-L3027 HydrophobicContact CB-CB 4.31Å; L2926-L3027 PolarHBondContact N-O 3.49Å; L2926-L3027 VanDerWaalsContact N-O 3.1Å; E3023-L3027 WeakPolarHBondContact O-CB 3.46Å; E3023-L3027 WeakPolarHBondContact O-CG 3.27Å; E3023-L3027 PolarHBondContact O-N 3.42Å; L3024-L3027 HydrophobicContact CD2-CD1 4.42Å; L3024-L3027 PolarHBondContact O-N 2.83Å |
| 3028 | C | 74.6 | Confident | 58.7 | Low | 18 Ų | 18 | 92.1 Ų | 92.1 | 12% | 0.122 | 48% | 0.482 | C | S | . | . | S | Bend | trans | -130.1 | 79.2 | 174.2 | -176.5 | 0 | 0 | 0 | 0 | 111.6 | T2924 F2998 L3024 H3025 L3026 | T2924-C3028 HydrophobicContact CG2-CB 4.47Å; F2998-C3028 HydrophobicContact CD2-CB 3.99Å; F2998-C3028 WeakPolarHBondContact CD2-SG 3.28Å; F2998-C3028 HydrophobicContact CE2-CB 4.09Å; L3024-C3028 PolarHBondContact O-N 3.27Å; H3025-C3028 CarbonylContact O-C 3.51Å; L3026-C3028 VanDerWaalsContact C-N 3.27Å |
| 3029 | P | 64.1 | Low | 56.2 | Low | 66 Ų | 66 | 87.6 Ų | 87.6 | 43% | 0.429 | 48% | 0.48 | S | S | . | . | P | Polyproline II helix | trans | -65.8 | 136.4 | 174.3 | 25.3 | -30.7 | 0 | 0 | 0 | 110.4 | T2924 H3025 L3026 L3031 | T2924-P3029 HydrophobicContact CG2-CG 4.45Å; H3025-P3029 VanDerWaalsContact O-CA 3.23Å; H3025-P3029 WeakPolarHBondContact O-CA 3.42Å; H3025-P3029 VanDerWaalsContact O-N 3.16Å; L3026-P3029 WeakPolarHBondContact O-CD 3.23Å; P3029-L3031 PolarHBondContact O-N 3.22Å |
| 3030 | P | 55 | Low | 53.5 | Low | 85 Ų | 85 | 90.7 Ų | 90.7 | 55% | 0.552 | 51% | 0.505 | S | S | * | . | P | Polyproline II helix | trans | -64 | 134 | 170.6 | 25.4 | -30.9 | 0 | 0 | 0 | 108.9 | H3025 L3032 | H3025-P3030 WeakPolarHBondContact CE1-CD 3.49Å; H3025-P3030 WeakPolarHBondContact CE1-CG 3.29Å; H3025-P3030 WeakPolarHBondContact ND1-CD 3.24Å; P3030-L3032 PolarHBondContact O-N 3.09Å |
| 3031 | L | 48.9 | Very low | 50.9 | Low | 91 Ų | 91 | 95.6 Ų | 95.6 | 48% | 0.476 | 54% | 0.539 | S | S | . | . | P | Polyproline II helix | trans | -54.6 | 125.6 | 172.9 | -88.9 | 134 | 0 | 0 | 0 | 109.5 | P2996 P3029 | P2996-L3031 HydrophobicContact CB-CD1 4.22Å; P2996-L3031 HydrophobicContact CG-CD1 3.63Å; P3029-L3031 PolarHBondContact O-N 3.22Å |
| 3032 | L | 40.6 | Very low | 48.2 | Very low | 158 Ų | 158 | 99.6 Ų | 99.6 | 83% | 0.827 | 56% | 0.56 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 138.5 | 168.4 | -83.3 | 160.1 | 0 | 0 | 0 | 108.4 | P3030 I3034 | P3030-L3032 PolarHBondContact O-N 3.09Å; L3032-I3034 PolarHBondContact O-N 2.91Å |
| 3033 | P | 33.5 | Very low | 45.5 | Very low | 109 Ų | 109 | 99.5 Ų | 99.5 | 71% | 0.708 | 57% | 0.573 | S | S | * | * | P | Polyproline II helix | trans | -52.6 | 127.6 | 178.8 | -19.7 | 28.8 | 0 | 0 | 0 | 109.1 | S3035 | P3033-S3035 PolarHBondContact O-N 2.89Š|
| 3034 | I | 30.5 | Very low | 43 | Very low | 160 Ų | 160 | 104.8 Ų | 104.8 | 82% | 0.821 | 61% | 0.606 | S | S | * | * | trans | -45.9 | 108.6 | 174 | -63.8 | 160.2 | 0 | 0 | 0 | 106.8 | L3032 S3036 | L3032-I3034 PolarHBondContact O-N 2.91Å; I3034-S3036 VanDerWaalsContact C-N 3.29Å; I3034-S3036 PolarHBondContact O-N 2.92Å | ||
| 3035 | S | 26.5 | Very low | 40.2 | Very low | 116 Ų | 116 | 112.7 Ų | 112.7 | 81% | 0.811 | 64% | 0.643 | S | S | * | * | trans | -64.4 | 102.2 | 169.4 | -72 | 0 | 0 | 0 | 0 | 105.4 | P3033 T3037 | P3033-S3035 PolarHBondContact O-N 2.89Å; S3035-T3037 PolarHBondContact O-N 3.33Å | ||
| 3036 | S | 27.7 | Very low | 37.6 | Very low | 101 Ų | 101 | 112.6 Ų | 112.6 | 71% | 0.706 | 65% | 0.654 | S | S | * | * | trans | -50 | 108 | 173.6 | 32 | 0 | 0 | 0 | 0 | 108.6 | I3034 | I3034-S3036 VanDerWaalsContact C-N 3.29Å; I3034-S3036 PolarHBondContact O-N 2.92Å | ||
| 3037 | T | 26.8 | Very low | 34.9 | Very low | 117 Ų | 117 | 121.1 Ų | 121.1 | 72% | 0.718 | 68% | 0.684 | S | S | * | * | trans | 29.1 | 103.5 | 145.4 | 51.5 | 0 | 0 | 0 | 0 | 115.1 | S3035 T3039 | S3035-T3037 PolarHBondContact O-N 3.33Å; T3037-T3039 PolarHBondContact O-N 3.43Å | ||
| 3038 | L | 22.8 | Very low | 32.5 | Very low | 173 Ų | 173 | 129.2 Ų | 129.2 | 91% | 0.906 | 72% | 0.722 | S | S | * | * | trans | -29.7 | 102.3 | 158.9 | -86.3 | 77.6 | 0 | 0 | 0 | 111.6 | ||||
| 3039 | T | 26.4 | Very low | 30 | Very low | 130 Ų | 130 | 136 Ų | 136 | 80% | 0.798 | 76% | 0.757 | S | S | * | * | trans | -106.9 | 105.6 | 146.5 | 46.2 | 0 | 0 | 0 | 0 | 106.9 | T3037 S3041 | T3037-T3039 PolarHBondContact O-N 3.43Å; T3039-S3041 PolarHBondContact O-N 2.93Å; T3039-S3041 VanDerWaalsContact O-N 3.11Å | ||
| 3040 | T | 22.8 | Very low | 28 | Very low | 139 Ų | 139 | 140.6 Ų | 140.6 | 85% | 0.853 | 78% | 0.778 | S | S | * | * | trans | -38.2 | 108.4 | 170 | 42.4 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 3041 | S | 24.6 | Very low | 26.5 | Very low | 102 Ų | 102 | 144.8 Ų | 144.8 | 71% | 0.713 | 79% | 0.79 | S | S | * | * | trans | -145.9 | 108.7 | 157.9 | 179.5 | 0 | 0 | 0 | 0 | 108.3 | T3039 V3043 | T3039-S3041 PolarHBondContact O-N 2.93Å; T3039-S3041 VanDerWaalsContact O-N 3.11Å; S3041-V3043 PolarHBondContact O-N 3.49Å; S3041-V3043 VanDerWaalsContact O-N 3.14Å | ||
| 3042 | K | 22.5 | Very low | 25.3 | Very low | 210 Ų | 210 | 147.8 Ų | 147.8 | 91% | 0.913 | 81% | 0.805 | S | S | * | * | trans | -59.6 | 107.6 | 173.7 | -71.8 | 171.1 | 172.7 | 176.8 | 0 | 109 | ||||
| 3043 | V | 25 | Very low | 24.6 | Very low | 133 Ų | 133 | 146.3 Ų | 146.3 | 81% | 0.806 | 80% | 0.803 | S | S | * | * | trans | -132.7 | 121.4 | 154.2 | -175.8 | 0 | 0 | 0 | 0 | 108 | S3041 | S3041-V3043 PolarHBondContact O-N 3.49Å; S3041-V3043 VanDerWaalsContact O-N 3.14Å | ||
| 3044 | V | 24.1 | Very low | 24.1 | Very low | 120 Ų | 120 | 147.9 Ų | 147.9 | 73% | 0.727 | 81% | 0.805 | S | S | * | * | trans | -66.8 | 142.4 | -177.6 | 167.6 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 3045 | E | 21.2 | Very low | 23.7 | Very low | 175 Ų | 175 | 148.1 Ų | 148.1 | 82% | 0.818 | 81% | 0.808 | S | S | * | * | trans | 6.1 | 120.6 | 155.4 | -62.1 | 172.3 | 151.9 | 0 | 0 | 118.6 | ||||
| 3046 | S | 21.6 | Very low | 23.5 | Very low | 107 Ų | 107 | 147.9 Ų | 147.9 | 75% | 0.748 | 81% | 0.806 | S | S | * | * | trans | -158.3 | 112.2 | 134 | 62.7 | 0 | 0 | 0 | 0 | 110.6 | Q3048 | S3046-Q3048 PolarHBondContact O-N 3.03Š| ||
| 3047 | Y | 18.8 | Very low | 23.3 | Very low | 233 Ų | 233 | 149.6 Ų | 149.6 | 91% | 0.914 | 81% | 0.812 | S | S | * | * | trans | -63.8 | 113.9 | 163 | -80.9 | -98.4 | 0 | 0 | 0 | 109.2 | ||||
| 3048 | Q | 24.4 | Very low | 23.1 | Very low | 171 Ų | 171 | 148.7 Ų | 148.7 | 80% | 0.799 | 81% | 0.81 | S | S | * | * | trans | -134.1 | 118.2 | 159.8 | -83.8 | -170.6 | -23.1 | 0 | 0 | 110.5 | S3046 N3050 | S3046-Q3048 PolarHBondContact O-N 3.03Å; Q3048-N3050 PolarHBondContact O-N 3.45Å | ||
| 3049 | N | 21.3 | Very low | 23 | Very low | 161 Ų | 161 | 145.9 Ų | 145.9 | 86% | 0.861 | 81% | 0.805 | S | S | * | * | trans | -51.2 | 107.9 | 171.2 | -78.6 | -28.1 | 0 | 0 | 0 | 111.2 | Q3051 | N3049-Q3051 PolarHBondContact O-N 3.13Å; N3049-Q3051 VanDerWaalsContact O-N 3.13Å | ||
| 3050 | N | 23.5 | Very low | 22.9 | Very low | 162 Ų | 162 | 147 Ų | 147 | 87% | 0.866 | 81% | 0.806 | S | S | * | * | trans | -81 | 91.7 | 164.2 | -85.6 | -18.4 | 0 | 0 | 0 | 109 | Q3048 | Q3048-N3050 PolarHBondContact O-N 3.45Š| ||
| 3051 | Q | 23.5 | Very low | 22.8 | Very low | 172 Ų | 172 | 145.3 Ų | 145.3 | 80% | 0.804 | 80% | 0.8 | S | S | * | * | trans | -60.1 | 133.5 | 161.3 | -86.8 | 178.8 | -17.1 | 0 | 0 | 109.9 | N3049 T3053 | N3049-Q3051 PolarHBondContact O-N 3.13Å; N3049-Q3051 VanDerWaalsContact O-N 3.13Å; Q3051-T3053 PolarHBondContact O-N 2.88Å; Q3051-T3053 VanDerWaalsContact O-N 3.1Å | ||
| 3052 | I | 24.1 | Very low | 22.9 | Very low | 154 Ų | 154 | 147.5 Ų | 147.5 | 79% | 0.79 | 81% | 0.809 | S | S | * | * | trans | -55.1 | 105.9 | 175.8 | -63.7 | 160.9 | 0 | 0 | 0 | 109.3 | N3054 | I3052-N3054 PolarHBondContact O-N 3.18Š| ||
| 3053 | T | 24.8 | Very low | 22.8 | Very low | 127 Ų | 127 | 144.8 Ų | 144.8 | 78% | 0.779 | 81% | 0.805 | S | S | * | * | trans | -76.4 | 101.2 | 171.5 | 1.6 | 0 | 0 | 0 | 0 | 108.7 | Q3051 L3055 | Q3051-T3053 PolarHBondContact O-N 2.88Å; Q3051-T3053 VanDerWaalsContact O-N 3.1Å; T3053-L3055 PolarHBondContact O-N 3.38Å; T3053-L3055 VanDerWaalsContact O-N 3.15Å | ||
| 3054 | N | 22.5 | Very low | 22.8 | Very low | 142 Ų | 142 | 143.4 Ų | 143.4 | 76% | 0.759 | 80% | 0.801 | S | S | * | * | trans | -58.3 | 111.9 | 167.9 | -78.7 | -35.2 | 0 | 0 | 0 | 109.7 | I3052 S3056 | I3052-N3054 PolarHBondContact O-N 3.18Å; N3054-S3056 VanDerWaalsContact C-N 3.33Å; N3054-S3056 PolarHBondContact O-N 2.83Å | ||
| 3055 | L | 23.2 | Very low | 22.8 | Very low | 166 Ų | 166 | 143.6 Ų | 143.6 | 87% | 0.869 | 80% | 0.802 | S | S | * | * | trans | -70.4 | 89.1 | 167.8 | -107.5 | 82.1 | 0 | 0 | 0 | 109 | T3053 V3057 | T3053-L3055 PolarHBondContact O-N 3.38Å; T3053-L3055 VanDerWaalsContact O-N 3.15Å; L3055-V3057 PolarHBondContact O-N 3.48Å | ||
| 3056 | S | 21.8 | Very low | 22.9 | Very low | 111 Ų | 111 | 142.3 Ų | 142.3 | 78% | 0.776 | 80% | 0.801 | S | S | * | * | trans | -79.6 | 106.8 | 165.2 | 44.8 | 0 | 0 | 0 | 0 | 109.2 | N3054 | N3054-S3056 VanDerWaalsContact C-N 3.33Å; N3054-S3056 PolarHBondContact O-N 2.83Å | ||
| 3057 | V | 23.9 | Very low | 22.9 | Very low | 137 Ų | 137 | 144.5 Ų | 144.5 | 83% | 0.83 | 80% | 0.803 | S | S | * | * | trans | -74.1 | 124.5 | 171.2 | 176.5 | 0 | 0 | 0 | 0 | 108.7 | L3055 | L3055-V3057 PolarHBondContact O-N 3.48Š| ||
| 3058 | S | 22.1 | Very low | 23.1 | Very low | 97 Ų | 97 | 138.9 Ų | 138.9 | 68% | 0.678 | 79% | 0.793 | S | S | * | * | trans | -60.9 | 128.7 | -173.3 | 53.8 | 0 | 0 | 0 | 0 | 114 | ||||
| 3059 | S | 21.6 | Very low | 23 | Very low | 115 Ų | 115 | 139.7 Ų | 139.7 | 80% | 0.804 | 80% | 0.796 | S | S | * | * | trans | -70.3 | 113.1 | 160.5 | 46.8 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 3060 | N | 24.4 | Very low | 23.1 | Very low | 154 Ų | 154 | 137.8 Ų | 137.8 | 82% | 0.824 | 79% | 0.791 | S | S | * | * | trans | -100.9 | 112.1 | 161.2 | -86.9 | -7.3 | 0 | 0 | 0 | 109 | ||||
| 3061 | S | 20.5 | Very low | 23 | Very low | 103 Ų | 103 | 138.1 Ų | 138.1 | 72% | 0.72 | 79% | 0.792 | S | S | * | * | trans | -74.1 | 129.4 | 172.3 | 52.5 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 3062 | T | 25.7 | Very low | 23.1 | Very low | 147 Ų | 147 | 138 Ų | 138 | 90% | 0.902 | 79% | 0.792 | S | S | * | * | trans | -141.7 | 109.6 | 150 | 12.5 | 0 | 0 | 0 | 0 | 109 | ||||
| 3063 | N | 20.6 | Very low | 22.9 | Very low | 154 Ų | 154 | 136.4 Ų | 136.4 | 82% | 0.824 | 80% | 0.795 | S | S | * | * | trans | -67.5 | 138 | 173.7 | -64.6 | -36.9 | 0 | 0 | 0 | 110.9 | ||||
| 3064 | S | 25.4 | Very low | 23 | Very low | 103 Ų | 103 | 138.3 Ų | 138.3 | 72% | 0.72 | 80% | 0.798 | S | S | * | * | trans | 177.1 | 115.1 | 132.3 | 54 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 3065 | T | 23.9 | Very low | 22.9 | Very low | 124 Ų | 124 | 137.8 Ų | 137.8 | 76% | 0.761 | 80% | 0.795 | S | S | * | * | trans | 58.7 | 101.1 | 137.2 | 59.3 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 3066 | D | 22.6 | Very low | 22.9 | Very low | 148 Ų | 148 | 135.9 Ų | 135.9 | 79% | 0.791 | 79% | 0.786 | S | S | * | * | 45 | 135 | 106.9 | -76.9 | -20.6 | 0 | 0 | 0 | 120.9 | |||||
| 3067 | I | 23.6 | Very low | 23 | Very low | 154 Ų | 154 | 137.6 Ų | 137.6 | 79% | 0.79 | 79% | 0.787 | S | S | * | * | trans | 106.9 | 108.3 | 147.4 | -65.9 | 151.8 | 0 | 0 | 0 | 117.8 | ||||
| 3068 | V | 22.6 | Very low | 22.9 | Very low | 115 Ų | 115 | 140.3 Ų | 140.3 | 70% | 0.697 | 79% | 0.79 | S | S | * | * | trans | 93.7 | 103.6 | 137 | 175.8 | 0 | 0 | 0 | 0 | 119.8 | T3070 | V3068-T3070 PolarHBondContact O-N 3.45Š| ||
| 3069 | Q | 20.8 | Very low | 22.9 | Very low | 187 Ų | 187 | 144.8 Ų | 144.8 | 87% | 0.874 | 80% | 0.8 | S | S | * | * | trans | -17.7 | 116.4 | 140.9 | -72.6 | 168.8 | -38 | 0 | 0 | 114.8 | ||||
| 3070 | T | 24.7 | Very low | 22.9 | Very low | 122 Ų | 122 | 147.5 Ų | 147.5 | 75% | 0.748 | 81% | 0.805 | S | S | * | * | trans | -134 | 113.2 | 150.4 | 33.1 | 0 | 0 | 0 | 0 | 109.5 | V3068 Q3072 | V3068-T3070 PolarHBondContact O-N 3.45Å; T3070-Q3072 PolarHBondContact O-N 3.4Å | ||
| 3071 | N | 20.4 | Very low | 22.8 | Very low | 168 Ų | 168 | 147.1 Ų | 147.1 | 90% | 0.898 | 80% | 0.802 | S | S | * | * | trans | -59.5 | 112.9 | 167.6 | -71.7 | -42 | 0 | 0 | 0 | 109.1 | ||||
| 3072 | Q | 25.3 | Very low | 22.8 | Very low | 170 Ų | 170 | 146.6 Ų | 146.6 | 79% | 0.794 | 80% | 0.798 | S | S | * | * | trans | -132.5 | 104.5 | 158.9 | -73.6 | -168.7 | -3.8 | 0 | 0 | 109.7 | T3070 I3074 | T3070-Q3072 PolarHBondContact O-N 3.4Å; Q3072-I3074 PolarHBondContact O-N 2.92Å | ||
| 3073 | S | 20.5 | Very low | 22.7 | Very low | 121 Ų | 121 | 145.3 Ų | 145.3 | 85% | 0.846 | 79% | 0.79 | S | S | * | * | trans | -41.4 | 109 | 160.8 | 44 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 3074 | I | 26.3 | Very low | 22.8 | Very low | 166 Ų | 166 | 144.6 Ų | 144.6 | 85% | 0.851 | 79% | 0.786 | S | S | * | * | trans | -102.3 | 99.9 | 160.4 | -63 | 176.9 | 0 | 0 | 0 | 107.1 | Q3072 | Q3072-I3074 PolarHBondContact O-N 2.92Š| ||
| 3075 | N | 21.8 | Very low | 22.6 | Very low | 132 Ų | 132 | 143.5 Ų | 143.5 | 71% | 0.706 | 78% | 0.778 | S | S | * | * | trans | -71.6 | 144.4 | 167.3 | -118 | -10.1 | 0 | 0 | 0 | 109.5 | ||||
| 3076 | N | 22.6 | Very low | 22.5 | Very low | 125 Ų | 125 | 142.7 Ų | 142.7 | 67% | 0.668 | 78% | 0.777 | S | S | * | * | trans | 78.4 | 125.8 | 146.7 | -62.5 | -19.3 | 0 | 0 | 0 | 120 | ||||
| 3077 | N | 23.5 | Very low | 22.5 | Very low | 148 Ų | 148 | 144.5 Ų | 144.5 | 79% | 0.791 | 78% | 0.779 | S | S | * | * | trans | 82.8 | 66.7 | 142.5 | -57.7 | -16 | 0 | 0 | 0 | 118 | ||||
| 3078 | Q | 22.8 | Very low | 22.3 | Very low | 193 Ų | 193 | 145.4 Ų | 145.4 | 90% | 0.902 | 78% | 0.779 | S | S | * | * | trans | -128.6 | 114.2 | 141.9 | -72.8 | -170.6 | -15 | 0 | 0 | 110.1 | L3080 | Q3078-L3080 PolarHBondContact O-N 3.13Å; Q3078-L3080 VanDerWaalsContact O-N 3.14Å | ||
| 3079 | Q | 21.4 | Very low | 22.4 | Very low | 191 Ų | 191 | 146 Ų | 146 | 89% | 0.893 | 78% | 0.783 | S | S | * | * | trans | -52.1 | 110.8 | 178.1 | -73.5 | 165.7 | -26.6 | 0 | 0 | 109.6 | I3081 | Q3079-I3081 PolarHBondContact O-N 2.74Š| ||
| 3080 | L | 21.6 | Very low | 22.4 | Very low | 172 Ų | 172 | 144 Ų | 144 | 90% | 0.901 | 78% | 0.777 | S | S | * | * | trans | -64.7 | 108.8 | 165.3 | -136.3 | 86.1 | 0 | 0 | 0 | 106.6 | Q3078 S3082 | Q3078-L3080 PolarHBondContact O-N 3.13Å; Q3078-L3080 VanDerWaalsContact O-N 3.14Å; L3080-S3082 PolarHBondContact O-N 3.09Å | ||
| 3081 | I | 22.3 | Very low | 22.3 | Very low | 147 Ų | 147 | 142.7 Ų | 142.7 | 75% | 0.754 | 77% | 0.771 | S | S | * | * | trans | -55.6 | 109.7 | 175.1 | -67.9 | 166.4 | 0 | 0 | 0 | 107.1 | Q3079 V3083 | Q3079-I3081 PolarHBondContact O-N 2.74Å; I3081-V3083 VanDerWaalsContact C-N 3.27Å; I3081-V3083 HydrophobicContact CG2-CG2 4.22Å; I3081-V3083 PolarHBondContact O-N 2.9Å | ||
| 3082 | S | 21.1 | Very low | 22.5 | Very low | 92 Ų | 92 | 140.5 Ų | 140.5 | 64% | 0.643 | 77% | 0.766 | S | S | * | * | trans | -64.8 | 87.3 | 173.5 | -161.6 | 0 | 0 | 0 | 0 | 108.3 | L3080 N3084 | L3080-S3082 PolarHBondContact O-N 3.09Å; S3082-N3084 PolarHBondContact O-N 3.42Å; S3082-N3084 PolarHBondContact OG-OD1 2.85Å | ||
| 3083 | V | 22.9 | Very low | 22.4 | Very low | 120 Ų | 120 | 141.3 Ų | 141.3 | 73% | 0.727 | 77% | 0.766 | S | S | * | * | trans | -73.1 | 85 | 163.8 | -178.3 | 0 | 0 | 0 | 0 | 106 | I3081 S3085 | I3081-V3083 VanDerWaalsContact C-N 3.27Å; I3081-V3083 HydrophobicContact CG2-CG2 4.22Å; I3081-V3083 PolarHBondContact O-N 2.9Å; V3083-S3085 PolarHBondContact O-N 3.26Å | ||
| 3084 | N | 22 | Very low | 22.5 | Very low | 139 Ų | 139 | 141.1 Ų | 141.1 | 74% | 0.743 | 77% | 0.765 | S | S | * | * | trans | -65.3 | 73.9 | 164.5 | -73.4 | 1 | 0 | 0 | 0 | 108.2 | S3082 S3086 | S3082-N3084 PolarHBondContact O-N 3.42Å; S3082-N3084 PolarHBondContact OG-OD1 2.85Å; N3084-S3086 PolarHBondContact O-N 3.39Å | ||
| 3085 | S | 23 | Very low | 22.3 | Very low | 79 Ų | 79 | 136.6 Ų | 136.6 | 55% | 0.552 | 75% | 0.748 | S | S | * | * | trans | -84.8 | 95.6 | 157 | 75.8 | 0 | 0 | 0 | 0 | 106.1 | V3083 F3087 | V3083-S3085 PolarHBondContact O-N 3.26Å; S3085-F3087 VanDerWaalsContact C-N 3.34Å; S3085-F3087 PolarHBondContact O-N 3.03Å | ||
| 3086 | S | 21.4 | Very low | 22.4 | Very low | 107 Ų | 107 | 136.2 Ų | 136.2 | 75% | 0.748 | 75% | 0.75 | S | S | * | * | trans | -46.4 | 98.9 | 164.4 | 44.6 | 0 | 0 | 0 | 0 | 109.2 | N3084 E3088 | N3084-S3086 PolarHBondContact O-N 3.39Å; S3086-E3088 PolarHBondContact O-N 3.25Å | ||
| 3087 | F | 21.6 | Very low | 22.3 | Very low | 187 Ų | 187 | 138.3 Ų | 138.3 | 82% | 0.82 | 75% | 0.75 | S | S | * | * | trans | -66.4 | 96 | 156.7 | -90.7 | -94.1 | 0 | 0 | 0 | 105 | S3085 V3089 | S3085-F3087 VanDerWaalsContact C-N 3.34Å; S3085-F3087 PolarHBondContact O-N 3.03Å; F3087-V3089 VanDerWaalsContact C-N 3.32Å; F3087-V3089 PolarHBondContact O-N 2.92Å | ||
| 3088 | E | 20.9 | Very low | 22.3 | Very low | 172 Ų | 172 | 137.2 Ų | 137.2 | 80% | 0.804 | 75% | 0.749 | S | S | * | * | trans | -54.6 | 106.6 | 160 | -90.8 | -178.4 | 150.6 | 0 | 0 | 106.2 | S3086 I3090 | S3086-E3088 PolarHBondContact O-N 3.25Å; E3088-I3090 PolarHBondContact O-N 2.89Å | ||
| 3089 | V | 22.7 | Very low | 22.3 | Very low | 129 Ų | 129 | 131.1 Ų | 131.1 | 78% | 0.782 | 73% | 0.725 | S | S | * | * | trans | -60.5 | 94.7 | 160.5 | 176.6 | 0 | 0 | 0 | 0 | 104.3 | F3087 P3091 | F3087-V3089 VanDerWaalsContact C-N 3.32Å; F3087-V3089 PolarHBondContact O-N 2.92Å; V3089-P3091 VanDerWaalsContact O-CD 3.31Å; V3089-P3091 WeakPolarHBondContact O-CD 3.42Å; V3089-P3091 VanDerWaalsContact O-N 3.07Å | ||
| 3090 | I | 21.3 | Very low | 22.5 | Very low | 143 Ų | 143 | 127 Ų | 127 | 73% | 0.733 | 71% | 0.713 | S | S | * | * | trans | -54.9 | 118.2 | 171.3 | -62.3 | 172 | 0 | 0 | 0 | 104.8 | E3088 | E3088-I3090 PolarHBondContact O-N 2.89Š| ||
| 3091 | P | 23.7 | Very low | 22.8 | Very low | 96 Ų | 96 | 123 Ų | 123 | 62% | 0.623 | 70% | 0.696 | S | S | * | * | trans | -55 | 133.4 | 177.1 | -18.1 | 28.1 | 0 | 0 | 0 | 107 | V3089 K3093 | V3089-P3091 VanDerWaalsContact O-CD 3.31Å; V3089-P3091 WeakPolarHBondContact O-CD 3.42Å; V3089-P3091 VanDerWaalsContact O-N 3.07Å; P3091-K3093 PolarHBondContact O-N 3.25Å | ||
| 3092 | P | 24.8 | Very low | 23.1 | Very low | 122 Ų | 122 | 122.2 Ų | 122.2 | 79% | 0.792 | 69% | 0.689 | S | S | * | * | trans | -61.3 | 96.9 | 173.6 | 25.3 | -30.5 | 0 | 0 | 0 | 106.7 | S3094 | P3092-S3094 PolarHBondContact O-N 2.67Š| ||
| 3093 | K | 22.7 | Very low | 23.7 | Very low | 187 Ų | 187 | 119 Ų | 119 | 81% | 0.813 | 67% | 0.667 | S | S | * | * | trans | -53.9 | 119.7 | 163.8 | -100.7 | 179 | 175.1 | 177.4 | 0 | 104.5 | P3091 S3095 | P3091-K3093 PolarHBondContact O-N 3.25Å; K3093-S3095 PolarHBondContact O-N 2.7Å; K3093-S3095 PolarHBondContact O-OG 2.84Å | ||
| 3094 | S | 23 | Very low | 24.5 | Very low | 116 Ų | 116 | 114.8 Ų | 114.8 | 81% | 0.811 | 64% | 0.641 | S | S | * | * | trans | -51.6 | 75.9 | 174.4 | 33.5 | 0 | 0 | 0 | 0 | 110.1 | P3092 T3096 | P3092-S3094 PolarHBondContact O-N 2.67Å; S3094-T3096 PolarHBondContact O-N 2.94Å | ||
| 3095 | S | 22.3 | Very low | 25.4 | Very low | 72 Ų | 72 | 112.2 Ų | 112.2 | 50% | 0.503 | 62% | 0.621 | S | S | . | * | trans | -84 | 97.5 | 161.1 | 33.9 | 0 | 0 | 0 | 0 | 103.5 | K3093 Y3097 | K3093-S3095 PolarHBondContact O-N 2.7Å; K3093-S3095 PolarHBondContact O-OG 2.84Å; S3095-Y3097 VanDerWaalsContact O-CD2 3.31Å; S3095-Y3097 WeakPolarHBondContact O-CD2 3.12Å; S3095-Y3097 PolarHBondContact O-N 3.4Å; S3095-Y3097 VanDerWaalsContact OG-CE2 3.26Å; S3095-Y3097 WeakPolarHBondContact OG-CE2 3.3Å | ||
| 3096 | T | 21.9 | Very low | 26 | Very low | 123 Ų | 123 | 117.5 Ų | 117.5 | 76% | 0.755 | 63% | 0.63 | S | S | * | * | trans | -61.7 | 84.4 | 168.3 | -50.3 | 0 | 0 | 0 | 0 | 106.6 | S3094 T3098 | S3094-T3096 PolarHBondContact O-N 2.94Å; T3096-T3098 PolarHBondContact O-N 2.82Å; T3096-T3098 VanDerWaalsContact O-N 3.09Å | ||
| 3097 | Y | 22.4 | Very low | 26.5 | Very low | 170 Ų | 170 | 116 Ų | 116 | 67% | 0.667 | 61% | 0.614 | S | S | * | * | trans | -66.9 | 106.4 | 162.6 | -69.5 | -81.7 | 0 | 0 | 0 | 105.2 | S3095 T3099 | S3095-Y3097 VanDerWaalsContact O-CD2 3.31Å; S3095-Y3097 WeakPolarHBondContact O-CD2 3.12Å; S3095-Y3097 PolarHBondContact O-N 3.4Å; S3095-Y3097 VanDerWaalsContact OG-CE2 3.26Å; S3095-Y3097 WeakPolarHBondContact OG-CE2 3.3Å; Y3097-T3099 PolarHBondContact O-N 2.88Å | ||
| 3098 | T | 22 | Very low | 27.3 | Very low | 125 Ų | 125 | 110.6 Ų | 110.6 | 77% | 0.767 | 60% | 0.596 | S | S | * | * | trans | -64.4 | 89.8 | 165.4 | 37.9 | 0 | 0 | 0 | 0 | 107 | T3096 T3100 | T3096-T3098 PolarHBondContact O-N 2.82Å; T3096-T3098 VanDerWaalsContact O-N 3.09Å; T3098-T3100 PolarHBondContact O-N 3.16Å | ||
| 3099 | T | 23.9 | Very low | 28.2 | Very low | 65 Ų | 65 | 105.9 Ų | 105.9 | 40% | 0.399 | 58% | 0.579 | S | S | . | * | trans | -64.5 | 105.9 | 165.7 | -10.7 | 0 | 0 | 0 | 0 | 105.9 | Y3097 T3101 | Y3097-T3099 PolarHBondContact O-N 2.88Å; T3099-T3101 PolarHBondContact O-N 2.97Å | ||
| 3100 | T | 25.2 | Very low | 28.8 | Very low | 103 Ų | 103 | 102.7 Ų | 102.7 | 63% | 0.632 | 56% | 0.558 | S | S | * | * | trans | -56.6 | 106 | 165.3 | 39.3 | 0 | 0 | 0 | 0 | 107 | T3098 Q3102 | T3098-T3100 PolarHBondContact O-N 3.16Å; T3100-Q3102 PolarHBondContact O-N 2.86Å | ||
| 3101 | T | 28.7 | Very low | 29.4 | Very low | 89 Ų | 89 | 99.2 Ų | 99.2 | 55% | 0.546 | 55% | 0.546 | S | S | . | . | trans | -73.1 | 75.1 | -178.1 | 46.9 | 0 | 0 | 0 | 0 | 109.1 | T3099 M3233 | T3099-T3101 PolarHBondContact O-N 2.97Å; T3101-M3233 WeakPolarHBondContact CB-O 3.47Å; T3101-M3233 WeakPolarHBondContact CG2-O 3.34Å | ||
| 3102 | Q | 28.7 | Very low | 29.7 | Very low | 131 Ų | 131 | 97.5 Ų | 97.5 | 61% | 0.612 | 54% | 0.54 | S | S | * | . | trans | -72.5 | 143.5 | 167.9 | -78.2 | 178.5 | -18.3 | 0 | 0 | 109.3 | T3100 T3104 | T3100-Q3102 PolarHBondContact O-N 2.86Å; Q3102-T3104 PolarHBondContact O-N 2.93Å; Q3102-T3104 VanDerWaalsContact O-N 3.13Å | ||
| 3103 | S | 32.7 | Very low | 30 | Very low | 24 Ų | 24 | 94.5 Ų | 94.5 | 17% | 0.168 | 52% | 0.516 | C | S | . | . | trans | -58.9 | 114.8 | 175.4 | -173.8 | 0 | 0 | 0 | 0 | 110.7 | R3105 M3233 | S3103-R3105 PolarHBondContact O-N 2.86Å; S3103-R3105 WeakPolarHBondContact OG-CB 3.22Å; S3103-R3105 PolarHBondContact OG-N 2.85Å; S3103-M3233 WeakPolarHBondContact CA-SD 3.32Å; S3103-M3233 VanDerWaalsContact CB-SD 3.52Å | ||
| 3104 | T | 40.2 | Very low | 30.5 | Very low | 31 Ų | 31 | 92.8 Ų | 92.8 | 19% | 0.19 | 51% | 0.511 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -11.2 | 174.5 | 58.7 | 0 | 0 | 0 | 0 | 112.2 | Q3102 Y3106 S3325 P3327 | Q3102-T3104 PolarHBondContact O-N 2.93Å; Q3102-T3104 VanDerWaalsContact O-N 3.13Å; T3104-Y3106 VanDerWaalsContact C-N 3.35Å; T3104-Y3106 PolarHBondContact O-N 3.09Å; T3104-S3325 WeakPolarHBondContact CG2-OG 3.25Å; T3104-P3327 HydrophobicContact CG2-CG 4.49Å |
| 3105 | R | 40.3 | Very low | 30.9 | Very low | 86 Ų | 86 | 91 Ų | 91 | 33% | 0.325 | 50% | 0.503 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -34.3 | 179.9 | -171.9 | 178.9 | -77.6 | 179.1 | 3.1 | 112.7 | S3103 T3108 E3231 | S3103-R3105 PolarHBondContact O-N 2.86Å; S3103-R3105 WeakPolarHBondContact OG-CB 3.22Å; S3103-R3105 PolarHBondContact OG-N 2.85Å; R3105-T3108 WeakPolarHBondContact O-CG2 3.32Å; R3105-T3108 PolarHBondContact O-OG1 3Å; R3105-T3108 VanDerWaalsContact O-OG1 3.09Å; R3105-E3231 IonicContact CZ-OE2 3.04Å; R3105-E3231 IonicContact NE-OE2 3.14Å; R3105-E3231 PolarHBondContact NE-OE2 3.36Å; R3105-E3231 IonicContact NH2-OE2 3.84Å; R3105-E3231 PolarHBondContact NH2-OE2 3.43Å |
| 3106 | Y | 36 | Very low | 31.3 | Very low | 189 Ų | 189 | 91.9 Ų | 91.9 | 74% | 0.741 | 50% | 0.501 | S | S | * | . | S | Bend | trans | -98.9 | -4.8 | -174.2 | -62.5 | -68.8 | 0 | 0 | 0 | 114.6 | T3104 T3108 | T3104-Y3106 VanDerWaalsContact C-N 3.35Å; T3104-Y3106 PolarHBondContact O-N 3.09Å; Y3106-T3108 PolarHBondContact O-N 3.32Å; Y3106-T3108 VanDerWaalsContact O-N 3.08Å |
| 3107 | D | 32.5 | Very low | 31.7 | Very low | 76 Ų | 76 | 89.3 Ų | 89.3 | 41% | 0.406 | 50% | 0.499 | S | S | . | . | trans | -73.3 | 8.3 | 171.9 | -79.5 | -17.7 | 0 | 0 | 0 | 112.9 | T3109 | D3107-T3109 PolarHBondContact O-N 3Š| ||
| 3108 | T | 38.6 | Very low | 32.1 | Very low | 74 Ų | 74 | 86 Ų | 86 | 45% | 0.454 | 51% | 0.507 | S | S | . | . | trans | -70.2 | 83.6 | -169.7 | 36.7 | 0 | 0 | 0 | 0 | 113.9 | R3105 Y3106 L3110 E3323 | R3105-T3108 WeakPolarHBondContact O-CG2 3.32Å; R3105-T3108 PolarHBondContact O-OG1 3Å; R3105-T3108 VanDerWaalsContact O-OG1 3.09Å; Y3106-T3108 PolarHBondContact O-N 3.32Å; Y3106-T3108 VanDerWaalsContact O-N 3.08Å; T3108-L3110 VanDerWaalsContact C-N 3.26Å; T3108-L3110 PolarHBondContact O-N 3.23Å; T3108-E3323 VanDerWaalsContact CA-OE2 3.31Å; T3108-E3323 WeakPolarHBondContact CA-OE2 3.32Å | ||
| 3109 | T | 38.1 | Very low | 32.4 | Very low | 72 Ų | 72 | 82.8 Ų | 82.8 | 44% | 0.442 | 49% | 0.493 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.5 | -12.7 | 177.2 | 55.4 | 0 | 0 | 0 | 0 | 113.6 | D3107 S3111 A3112 M3113 E3323 | D3107-T3109 PolarHBondContact O-N 3Å; T3109-S3111 VanDerWaalsContact C-N 3.33Å; T3109-S3111 PolarHBondContact O-N 2.96Å; T3109-A3112 WeakPolarHBondContact O-CB 3.34Å; T3109-A3112 PolarHBondContact O-N 2.74Å; T3109-M3113 PolarHBondContact O-N 2.9Å; T3109-E3323 PolarHBondContact N-OE1 3.49Å; T3109-E3323 PolarHBondContact N-OE2 2.87Å; T3109-E3323 PolarHBondContact OG1-OE1 3.48Å; T3109-E3323 VanDerWaalsContact OG1-OE1 3.05Å |
| 3110 | L | 36.2 | Very low | 32.7 | Very low | 63 Ų | 63 | 85.9 Ų | 85.9 | 33% | 0.33 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -68.6 | -28.1 | -177 | -156.9 | 79.5 | 0 | 0 | 0 | 113.7 | T3108 A3112 M3113 Q3114 | T3108-L3110 VanDerWaalsContact C-N 3.26Å; T3108-L3110 PolarHBondContact O-N 3.23Å; L3110-A3112 PolarHBondContact O-N 3.44Å; L3110-M3113 HydrophobicContact CD1-CB 4.11Å; L3110-M3113 HydrophobicContact CD1-CE 4.44Å; L3110-M3113 HydrophobicContact CD1-CG 4.45Å; L3110-M3113 HydrophobicContact CD1-SD 3.85Å; L3110-M3113 HydrophobicContact CG-CB 4.45Å; L3110-M3113 CarbonylContact O-C 3.56Å; L3110-M3113 WeakPolarHBondContact O-CA 3Å; L3110-M3113 WeakPolarHBondContact O-CB 3.43Å; L3110-M3113 PolarHBondContact O-N 3.35Å; L3110-Q3114 PolarHBondContact O-N 2.94Å |
| 3111 | S | 34.5 | Very low | 32.9 | Very low | 69 Ų | 69 | 87.5 Ų | 87.5 | 48% | 0.483 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -61.4 | -35.7 | 175 | -59.3 | 0 | 0 | 0 | 0 | 111.3 | T3109 M3113 | T3109-S3111 VanDerWaalsContact C-N 3.33Å; T3109-S3111 PolarHBondContact O-N 2.96Å; S3111-M3113 VanDerWaalsContact C-N 3.33Å |
| 3112 | A | 30.2 | Very low | 32.9 | Very low | 60 Ų | 60 | 86.1 Ų | 86.1 | 50% | 0.496 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -68.8 | -32.1 | 170.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | T3109 L3110 I3116 | T3109-A3112 WeakPolarHBondContact O-CB 3.34Å; T3109-A3112 PolarHBondContact O-N 2.74Å; L3110-A3112 PolarHBondContact O-N 3.44Å; A3112-I3116 VanDerWaalsContact O-CD1 3.28Å; A3112-I3116 WeakPolarHBondContact O-CD1 3.15Å; A3112-I3116 VanDerWaalsContact O-CG1 3.25Å; A3112-I3116 WeakPolarHBondContact O-CG1 3.48Å; A3112-I3116 PolarHBondContact O-N 3.03Å |
| 3113 | M | 30.8 | Very low | 32.9 | Very low | 60 Ų | 60 | 86.2 Ų | 86.2 | 30% | 0.296 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -74 | -38.6 | 179.7 | -64.2 | -173.4 | 60 | 0 | 0 | 114.2 | T3109 L3110 S3111 A3115 I3116 G3117 F3123 | T3109-M3113 PolarHBondContact O-N 2.9Å; L3110-M3113 HydrophobicContact CD1-CB 4.11Å; L3110-M3113 HydrophobicContact CD1-CE 4.44Å; L3110-M3113 HydrophobicContact CD1-CG 4.45Å; L3110-M3113 HydrophobicContact CD1-SD 3.85Å; L3110-M3113 HydrophobicContact CG-CB 4.45Å; L3110-M3113 CarbonylContact O-C 3.56Å; L3110-M3113 WeakPolarHBondContact O-CA 3Å; L3110-M3113 WeakPolarHBondContact O-CB 3.43Å; L3110-M3113 PolarHBondContact O-N 3.35Å; S3111-M3113 VanDerWaalsContact C-N 3.33Å; M3113-A3115 VanDerWaalsContact C-N 3.34Å; M3113-I3116 PolarHBondContact O-N 2.79Å; M3113-G3117 PolarHBondContact O-N 2.69Å; M3113-F3123 HydrophobicContact CE-CE1 4.4Å; M3113-F3123 HydrophobicContact CE-CE2 3.7Å; M3113-F3123 HydrophobicContact CE-CZ 3.4Å; M3113-F3123 VanDerWaalsContact CE-CZ 3.4Å |
| 3114 | Q | 33.5 | Very low | 32.8 | Very low | 150 Ų | 150 | 91 Ų | 91 | 70% | 0.701 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -68.9 | -33.8 | 177.2 | -79 | -173.7 | -16.7 | 0 | 0 | 112 | L3110 I3116 G3117 | L3110-Q3114 PolarHBondContact O-N 2.94Å; Q3114-I3116 PolarHBondContact O-N 3.13Å; Q3114-G3117 PolarHBondContact O-N 3.32Å |
| 3115 | A | 30.6 | Very low | 32.2 | Very low | 79 Ų | 79 | 97.3 Ų | 97.3 | 65% | 0.653 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -63.2 | -30.9 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | M3113 | M3113-A3115 VanDerWaalsContact C-N 3.34Å |
| 3116 | I | 31 | Very low | 31.7 | Very low | 90 Ų | 90 | 101 Ų | 101 | 46% | 0.462 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -82.9 | -17.9 | -179.9 | -61.5 | 164.5 | 0 | 0 | 0 | 112 | A3112 M3113 Q3114 A3118 A3119 P3122 | A3112-I3116 VanDerWaalsContact O-CD1 3.28Å; A3112-I3116 WeakPolarHBondContact O-CD1 3.15Å; A3112-I3116 VanDerWaalsContact O-CG1 3.25Å; A3112-I3116 WeakPolarHBondContact O-CG1 3.48Å; A3112-I3116 PolarHBondContact O-N 3.03Å; M3113-I3116 PolarHBondContact O-N 2.79Å; Q3114-I3116 PolarHBondContact O-N 3.13Å; I3116-A3118 PolarHBondContact O-N 3.47Å; I3116-A3119 CarbonylContact O-C 3.55Å; I3116-A3119 PolarHBondContact O-N 3.46Å; I3116-A3119 VanDerWaalsContact O-O 3.12Å; I3116-P3122 HydrophobicContact CG2-CG 4.05Å |
| 3117 | G | 29.6 | Very low | 31.3 | Very low | 70 Ų | 70 | 96.8 Ų | 96.8 | 72% | 0.722 | 58% | 0.579 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.7 | -17.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | M3113 Q3114 | M3113-G3117 PolarHBondContact O-N 2.69Å; Q3114-G3117 PolarHBondContact O-N 3.32Å |
| 3118 | A | 30.3 | Very low | 31 | Very low | 101 Ų | 101 | 102.1 Ų | 102.1 | 84% | 0.835 | 60% | 0.599 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.4 | -14.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | I3116 | I3116-A3118 PolarHBondContact O-N 3.47Š|
| 3119 | A | 28.3 | Very low | 30.5 | Very low | 57 Ų | 57 | 106.5 Ų | 106.5 | 47% | 0.471 | 62% | 0.615 | S | S | . | * | S | Bend | trans | -131.8 | 100.8 | -176.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | I3116 | I3116-A3119 CarbonylContact O-C 3.55Å; I3116-A3119 PolarHBondContact O-N 3.46Å; I3116-A3119 VanDerWaalsContact O-O 3.12Å |
| 3120 | T | 30.3 | Very low | 30 | Very low | 129 Ų | 129 | 109.4 Ų | 109.4 | 79% | 0.791 | 63% | 0.632 | S | S | * | * | trans | 52.9 | 101.8 | 155.4 | 47.9 | 0 | 0 | 0 | 0 | 117.3 | P3122 | T3120-P3122 VanDerWaalsContact O-CD 3.22Å; T3120-P3122 WeakPolarHBondContact O-CD 3.48Å; T3120-P3122 VanDerWaalsContact O-N 3.17Å | ||
| 3121 | T | 29.1 | Very low | 29.4 | Very low | 138 Ų | 138 | 112 Ų | 112 | 85% | 0.847 | 66% | 0.655 | S | S | * | * | trans | -24.3 | 102.9 | 169.3 | 50.5 | 0 | 0 | 0 | 0 | 116.5 | F3123 | T3121-F3123 VanDerWaalsContact C-N 3.35Š| ||
| 3122 | P | 29.2 | Very low | 29 | Very low | 60 Ų | 60 | 117.3 Ų | 117.3 | 39% | 0.39 | 67% | 0.673 | S | S | . | * | trans | -85.5 | -6.5 | 171 | -5.1 | 23.3 | 0 | 0 | 0 | 113.3 | I3116 T3120 | I3116-P3122 HydrophobicContact CG2-CG 4.05Å; T3120-P3122 VanDerWaalsContact O-CD 3.22Å; T3120-P3122 WeakPolarHBondContact O-CD 3.48Å; T3120-P3122 VanDerWaalsContact O-N 3.17Å | ||
| 3123 | F | 28.3 | Very low | 28.7 | Very low | 133 Ų | 133 | 119.2 Ų | 119.2 | 58% | 0.583 | 68% | 0.683 | S | S | * | * | trans | -98.2 | 118.6 | -171.8 | -65.9 | -76.2 | 0 | 0 | 0 | 113 | M3113 T3121 R3125 | M3113-F3123 HydrophobicContact CE-CE1 4.4Å; M3113-F3123 HydrophobicContact CE-CE2 3.7Å; M3113-F3123 HydrophobicContact CE-CZ 3.4Å; M3113-F3123 VanDerWaalsContact CE-CZ 3.4Å; T3121-F3123 VanDerWaalsContact C-N 3.35Å; F3123-R3125 PolarHBondContact O-N 3.09Å | ||
| 3124 | I | 30.9 | Very low | 28.6 | Very low | 124 Ų | 124 | 122.9 Ų | 122.9 | 64% | 0.636 | 70% | 0.702 | S | S | * | * | trans | -79 | 107.9 | 161.6 | -63.5 | 175.3 | 0 | 0 | 0 | 106.6 | L3126 R3390 | I3124-L3126 PolarHBondContact O-N 3.31Å; I3124-L3126 VanDerWaalsContact O-N 3.16Å; I3124-R3390 VanDerWaalsContact CD1-NH1 3.32Å | ||
| 3125 | R | 27.9 | Very low | 28.2 | Very low | 164 Ų | 164 | 122.8 Ų | 122.8 | 62% | 0.619 | 71% | 0.706 | S | S | * | * | trans | -64 | 113 | 170.2 | -153.4 | 174.5 | -168.2 | 169.9 | 3.6 | 107.4 | F3123 S3127 | F3123-R3125 PolarHBondContact O-N 3.09Å; R3125-S3127 PolarHBondContact O-N 2.83Å | ||
| 3126 | L | 29.3 | Very low | 28.1 | Very low | 162 Ų | 162 | 130 Ų | 130 | 85% | 0.848 | 72% | 0.716 | S | S | * | * | trans | -54.9 | 129.2 | 167.5 | -75.9 | 161.6 | 0 | 0 | 0 | 107.4 | I3124 | I3124-L3126 PolarHBondContact O-N 3.31Å; I3124-L3126 VanDerWaalsContact O-N 3.16Å | ||
| 3127 | S | 28.9 | Very low | 28.2 | Very low | 101 Ų | 101 | 128.4 Ų | 128.4 | 71% | 0.706 | 71% | 0.711 | S | S | * | * | trans | -19.3 | 133 | -171.5 | 46.9 | 0 | 0 | 0 | 0 | 117.3 | R3125 E3129 | R3125-S3127 PolarHBondContact O-N 2.83Å; S3127-E3129 PolarHBondContact O-N 2.83Å | ||
| 3128 | K | 26.1 | Very low | 28.2 | Very low | 188 Ų | 188 | 133.7 Ų | 133.7 | 82% | 0.817 | 72% | 0.716 | S | S | * | * | trans | -55.4 | 95.4 | 161.9 | -88.1 | 178.8 | 170.1 | 177.7 | 0 | 109.6 | ||||
| 3129 | E | 27.8 | Very low | 28.5 | Very low | 167 Ų | 167 | 132.7 Ų | 132.7 | 78% | 0.78 | 70% | 0.703 | S | S | * | * | trans | -83.4 | 126.9 | 147.9 | -82.3 | -178.7 | 163.8 | 0 | 0 | 107.3 | S3127 S3131 | S3127-E3129 PolarHBondContact O-N 2.83Å; E3129-S3131 PolarHBondContact O-N 2.98Å | ||
| 3130 | T | 26.9 | Very low | 28.7 | Very low | 133 Ų | 133 | 133.6 Ų | 133.6 | 82% | 0.816 | 70% | 0.702 | S | S | * | * | trans | -35.6 | 115.1 | -174 | 39.7 | 0 | 0 | 0 | 0 | 114.2 | Q3132 | T3130-Q3132 PolarHBondContact O-N 3.43Š| ||
| 3131 | S | 24.9 | Very low | 29.4 | Very low | 116 Ų | 116 | 128.8 Ų | 128.8 | 81% | 0.811 | 67% | 0.673 | S | S | * | * | trans | -60.8 | 99.7 | 171.2 | -40.6 | 0 | 0 | 0 | 0 | 110.2 | E3129 | E3129-S3131 PolarHBondContact O-N 2.98Š| ||
| 3132 | Q | 24.7 | Very low | 30.3 | Very low | 182 Ų | 182 | 127.6 Ų | 127.6 | 85% | 0.85 | 67% | 0.666 | S | S | * | * | trans | -77.2 | 128.5 | 153.7 | -72.6 | -177.5 | -5 | 0 | 0 | 107.2 | T3130 | T3130-Q3132 PolarHBondContact O-N 3.43Š| ||
| 3133 | S | 24.4 | Very low | 31.5 | Very low | 100 Ų | 100 | 125.9 Ų | 125.9 | 70% | 0.699 | 65% | 0.652 | S | S | * | * | trans | -56.3 | 148.9 | -173.7 | 37.9 | 0 | 0 | 0 | 0 | 113.9 | D3135 | S3133-D3135 PolarHBondContact O-N 3.34Š| ||
| 3134 | I | 29 | Very low | 33.2 | Very low | 137 Ų | 137 | 120.3 Ų | 120.3 | 70% | 0.703 | 63% | 0.627 | S | S | * | * | S | Bend | trans | -74.5 | 28.2 | -168.4 | -67.1 | 164.3 | 0 | 0 | 0 | 113.7 | R3136 | I3134-R3136 PolarHBondContact O-N 3.02Š|
| 3135 | D | 25.8 | Very low | 34.3 | Very low | 147 Ų | 147 | 117.7 Ų | 117.7 | 79% | 0.786 | 62% | 0.62 | S | S | * | * | trans | -94.4 | 10.9 | -172.8 | -72 | -27.9 | 0 | 0 | 0 | 115.3 | S3133 | S3133-D3135 PolarHBondContact O-N 3.34Š| ||
| 3136 | R | 27.9 | Very low | 35.4 | Very low | 230 Ų | 230 | 113.9 Ų | 113.9 | 87% | 0.868 | 61% | 0.611 | S | S | * | * | trans | -132.2 | 66.6 | -180 | -76.2 | -174.1 | 170.9 | -177.9 | -2.5 | 113.4 | I3134 | I3134-R3136 PolarHBondContact O-N 3.02Š| ||
| 3137 | V | 32.6 | Very low | 36.4 | Very low | 58 Ų | 58 | 111.4 Ų | 111.4 | 35% | 0.352 | 60% | 0.599 | S | S | . | * | trans | -120.7 | 83 | 162.9 | -169.2 | 0 | 0 | 0 | 0 | 109.6 | C3139 N3381 | V3137-C3139 HydrophobicContact CG1-CB 4.06Å; V3137-C3139 PolarHBondContact O-N 3.02Å; V3137-C3139 VanDerWaalsContact O-N 3.12Å; V3137-N3381 HydrophobicContact CG2-CB 4.39Å; V3137-N3381 VanDerWaalsContact CG2-CG 3.5Å; V3137-N3381 VanDerWaalsContact CG2-ND2 3.3Å; V3137-N3381 WeakPolarHBondContact CG2-ND2 3.31Å | ||
| 3138 | H | 30.2 | Very low | 37.4 | Very low | 180 Ų | 180 | 113.9 Ų | 113.9 | 83% | 0.833 | 60% | 0.6 | S | S | * | * | trans | -81.6 | 63.1 | 160.1 | -72.7 | -62.9 | 0 | 0 | 0 | 109.5 | ||||
| 3139 | C | 36.7 | Very low | 38.6 | Very low | 81 Ų | 81 | 112 Ų | 112 | 55% | 0.547 | 60% | 0.599 | S | S | . | * | trans | -112.4 | 14.6 | 156.9 | -75.3 | 0 | 0 | 0 | 0 | 110.8 | V3137 T3141 | V3137-C3139 HydrophobicContact CG1-CB 4.06Å; V3137-C3139 PolarHBondContact O-N 3.02Å; V3137-C3139 VanDerWaalsContact O-N 3.12Å; C3139-T3141 VanDerWaalsContact C-N 3.33Å; C3139-T3141 PolarHBondContact O-N 3.12Å | ||
| 3140 | T | 32.6 | Very low | 40.2 | Very low | 75 Ų | 75 | 106.8 Ų | 106.8 | 46% | 0.46 | 58% | 0.578 | S | S | . | * | trans | -67.7 | 97.1 | 164.7 | 52 | 0 | 0 | 0 | 0 | 107.2 | T3142 | T3140-T3142 PolarHBondContact O-N 2.85Š| ||
| 3141 | T | 43.5 | Very low | 41.9 | Very low | 28 Ų | 28 | 107.8 Ų | 107.8 | 17% | 0.172 | 58% | 0.577 | C | S | . | * | trans | -49.8 | 130.5 | 152.6 | 50.7 | 0 | 0 | 0 | 0 | 106.6 | C3139 F3143 W3144 P3209 | C3139-T3141 VanDerWaalsContact C-N 3.33Å; C3139-T3141 PolarHBondContact O-N 3.12Å; T3141-F3143 PolarHBondContact O-N 3.45Å; T3141-W3144 PolarHBondContact O-N 3.03Å; T3141-W3144 VanDerWaalsContact O-N 3.09Å; T3141-P3209 HydrophobicContact CG2-CB 4.43Å; T3141-P3209 HydrophobicContact CG2-CG 3.87Å | ||
| 3142 | T | 48.6 | Very low | 44.2 | Very low | 114 Ų | 114 | 102.7 Ų | 102.7 | 70% | 0.699 | 54% | 0.54 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.2 | -20.1 | 173.4 | 41.5 | 0 | 0 | 0 | 0 | 112.6 | T3140 W3144 | T3140-T3142 PolarHBondContact O-N 2.85Å; T3142-W3144 VanDerWaalsContact C-N 3.31Å; T3142-W3144 PolarHBondContact O-N 3.32Å |
| 3143 | F | 54.1 | Low | 46.6 | Very low | 23 Ų | 23 | 97.8 Ų | 97.8 | 10% | 0.101 | 52% | 0.524 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -44.9 | -44.8 | 169.9 | -162 | -83.9 | 0 | 0 | 0 | 115 | T3141 I3185 L3186 Y3189 E3207 F3208 | T3141-F3143 PolarHBondContact O-N 3.45Å; F3143-I3185 HydrophobicContact CE1-CG2 4.48Å; F3143-L3186 HydrophobicContact CE1-CD2 3.86Å; F3143-L3186 HydrophobicContact CZ-CD2 3.61Å; F3143-Y3189 HydrophobicContact CD2-CE1 4.34Å; F3143-Y3189 HydrophobicContact CD2-CE2 4.16Å; F3143-Y3189 AromaticContact CD2-CZ 3.76Å; F3143-Y3189 WeakPolarHBondContact CD2-OH 3.35Å; F3143-Y3189 AromaticContact CE2-CD1 3.96Å; F3143-Y3189 HydrophobicContact CE2-CD1 3.96Å; F3143-Y3189 HydrophobicContact CE2-CD2 4.1Å; F3143-Y3189 AromaticContact CE2-CE1 3.54Å; F3143-Y3189 HydrophobicContact CE2-CE1 3.54Å; F3143-Y3189 AromaticContact CE2-CE2 3.69Å; F3143-Y3189 HydrophobicContact CE2-CE2 3.69Å; F3143-Y3189 HydrophobicContact CE2-CG 4.13Å; F3143-Y3189 AromaticContact CE2-CZ 3.3Å; F3143-Y3189 VanDerWaalsContact CE2-OH 3.24Å; F3143-Y3189 WeakPolarHBondContact CE2-OH 3.41Å; F3143-Y3189 HydrophobicContact CZ-CD1 4.38Å; F3143-Y3189 HydrophobicContact CZ-CD2 4.32Å; F3143-Y3189 HydrophobicContact CZ-CE1 4.38Å; F3143-Y3189 HydrophobicContact CZ-CE2 4.31Å; F3143-Y3189 HydrophobicContact CZ-CG 4.25Å; F3143-E3207 WeakPolarHBondContact CD2-O 3.26Å; F3143-F3208 HydrophobicContact CD2-CD2 4.19Å; F3143-F3208 HydrophobicContact CE1-CD2 4.42Å; F3143-F3208 HydrophobicContact CE2-CB 4.42Å; F3143-F3208 AromaticContact CE2-CD2 3.87Å; F3143-F3208 HydrophobicContact CE2-CD2 3.87Å; F3143-F3208 HydrophobicContact CZ-CD2 4.04Å |
| 3144 | W | 65 | Low | 49 | Very low | 17 Ų | 17 | 100.9 Ų | 100.9 | 6% | 0.064 | 53% | 0.528 | C | S | . | . | S | Bend | trans | -105.6 | 75.7 | 179.7 | -52.2 | 103.5 | 0 | 0 | 0 | 108.4 | T3141 T3142 N3146 I3182 I3185 L3186 L3342 V3365 H3367 | T3141-W3144 PolarHBondContact O-N 3.03Å; T3141-W3144 VanDerWaalsContact O-N 3.09Å; T3142-W3144 VanDerWaalsContact C-N 3.31Å; T3142-W3144 PolarHBondContact O-N 3.32Å; W3144-N3146 PolarHBondContact O-N 3.43Å; W3144-I3182 HydrophobicContact CE3-CD1 4.44Å; W3144-I3182 HydrophobicContact CH2-CD1 3.44Å; W3144-I3182 VanDerWaalsContact CH2-CD1 3.44Å; W3144-I3182 HydrophobicContact CH2-CG2 4.26Å; W3144-I3182 HydrophobicContact CZ2-CD1 4.23Å; W3144-I3182 HydrophobicContact CZ3-CD1 3.56Å; W3144-I3185 HydrophobicContact CH2-CG2 4.32Å; W3144-I3185 HydrophobicContact CZ3-CB 4.26Å; W3144-I3185 HydrophobicContact CZ3-CG2 3.75Å; W3144-L3186 HydrophobicContact CH2-CD2 4.44Å; W3144-L3342 HydrophobicContact CH2-CD1 4.23Å; W3144-L3342 HydrophobicContact CZ2-CD1 3.75Å; W3144-L3342 HydrophobicContact CZ2-CD2 3.67Å; W3144-L3342 HydrophobicContact CZ2-CG 4.41Å; W3144-V3365 HydrophobicContact CB-CB 4.29Å; W3144-V3365 HydrophobicContact CD2-CB 3.97Å; W3144-V3365 HydrophobicContact CD2-CG1 3.57Å; W3144-V3365 HydrophobicContact CE3-CB 3.86Å; W3144-V3365 HydrophobicContact CE3-CG1 3.71Å; W3144-V3365 HydrophobicContact CE3-CG2 4.05Å; W3144-V3365 HydrophobicContact CG-CB 4.16Å; W3144-V3365 HydrophobicContact CG-CG1 3.98Å; W3144-V3365 HydrophobicContact CH2-CG1 4.49Å; W3144-V3365 HydrophobicContact CZ2-CG1 4.36Å; W3144-V3365 HydrophobicContact CZ3-CG1 4.17Å; W3144-V3365 HydrophobicContact CZ3-CG2 4.45Å; W3144-H3367 AromaticContact NE1-CG 3.66Å; W3144-H3367 AromaticContact NE1-ND1 3.36Å; W3144-H3367 PolarHBondContact NE1-ND1 3.47Å |
| 3145 | S | 54.4 | Low | 51.2 | Low | 69 Ų | 69 | 100.8 Ų | 100.8 | 48% | 0.483 | 53% | 0.529 | S | S | . | . | trans | -65.4 | 120.1 | 177.7 | 56.4 | 0 | 0 | 0 | 0 | 110.1 | D3147 | S3145-D3147 PolarHBondContact O-N 2.97Š| ||
| 3146 | N | 49.4 | Very low | 53.9 | Low | 83 Ų | 83 | 94.5 Ų | 94.5 | 44% | 0.444 | 50% | 0.495 | S | S | . | . | trans | -78.1 | 35.9 | 174 | -75.3 | -33.7 | 0 | 0 | 0 | 111.7 | W3144 E3148 | W3144-N3146 PolarHBondContact O-N 3.43Å; N3146-E3148 PolarHBondContact O-N 3.1Å | ||
| 3147 | D | 51.1 | Low | 56.3 | Low | 110 Ų | 110 | 84.9 Ų | 84.9 | 59% | 0.588 | 46% | 0.462 | S | S | * | . | trans | -68.3 | 109 | 174.7 | -95.8 | -24.6 | 0 | 0 | 0 | 107.7 | S3145 N3149 T3150 | S3145-D3147 PolarHBondContact O-N 2.97Å; D3147-N3149 PolarHBondContact O-N 3.28Å; D3147-T3150 HydrophobicContact CB-CG2 4.03Å; D3147-T3150 PolarHBondContact O-N 2.94Å; D3147-T3150 PolarHBondContact O-OG1 3.21Å | ||
| 3148 | E | 49.4 | Very low | 58.5 | Low | 153 Ų | 153 | 85.7 Ų | 85.7 | 72% | 0.715 | 47% | 0.467 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | -17.3 | -178.8 | -62 | -153.6 | 130 | 0 | 0 | 113 | N3146 K3347 | N3146-E3148 PolarHBondContact O-N 3.1Å; E3148-K3347 IonicContact OE1-NZ 2.74Å; E3148-K3347 PolarHBondContact OE1-NZ 3.07Å |
| 3149 | N | 51.3 | Low | 60.8 | Low | 149 Ų | 149 | 82.7 Ų | 82.7 | 80% | 0.797 | 45% | 0.449 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.5 | 4.8 | 177.8 | -65 | -17.7 | 0 | 0 | 0 | 114.1 | D3147 I3151 | D3147-N3149 PolarHBondContact O-N 3.28Å; N3149-I3151 PolarHBondContact O-N 2.97Å; N3149-I3151 VanDerWaalsContact O-N 3.13Å |
| 3150 | T | 61.4 | Low | 63 | Low | 58 Ų | 58 | 78.9 Ų | 78.9 | 36% | 0.356 | 42% | 0.423 | S | S | . | . | trans | -69.7 | 111.2 | 175.6 | 36.6 | 0 | 0 | 0 | 0 | 110.5 | D3147 A3362 | D3147-T3150 HydrophobicContact CB-CG2 4.03Å; D3147-T3150 PolarHBondContact O-N 2.94Å; D3147-T3150 PolarHBondContact O-OG1 3.21Å; T3150-A3362 WeakPolarHBondContact O-CB 3.42Å | ||
| 3151 | I | 64 | Low | 65.3 | Low | 154 Ų | 154 | 77.1 Ų | 77.1 | 79% | 0.79 | 41% | 0.41 | S | S | * | . | P | Polyproline II helix | trans | -83.7 | 127.6 | 178.6 | -57.9 | 173.6 | 0 | 0 | 0 | 108.5 | N3149 | N3149-I3151 PolarHBondContact O-N 2.97Å; N3149-I3151 VanDerWaalsContact O-N 3.13Å |
| 3152 | I | 72.3 | Confident | 66.7 | Low | 8 Ų | 8 | 83.7 Ų | 83.7 | 4% | 0.041 | 43% | 0.432 | C | S | . | . | P | Polyproline II helix | trans | -66.9 | 131.7 | 172.4 | -57 | 175.7 | 0 | 0 | 0 | 108.4 | E3154 L3156 T3157 Y3181 W3346 I3359 S3361 A3362 | I3152-E3154 PolarHBondContact O-N 3.38Å; I3152-L3156 HydrophobicContact CG2-CB 3.93Å; I3152-L3156 HydrophobicContact CG2-CD2 3.87Å; I3152-L3156 HydrophobicContact CG2-CG 3.89Å; I3152-T3157 WeakPolarHBondContact CB-OG1 3.48Å; I3152-T3157 VanDerWaalsContact CG2-OG1 3.27Å; I3152-T3157 WeakPolarHBondContact CG2-OG1 3.38Å; I3152-T3157 PolarHBondContact O-OG1 3.49Å; I3152-Y3181 HydrophobicContact CD1-CE2 4.42Å; I3152-Y3181 HydrophobicContact CG1-CE2 4.38Å; I3152-W3346 HydrophobicContact CD1-CZ3 4.32Å; I3152-I3359 HydrophobicContact CD1-CG2 3.76Å; I3152-S3361 WeakPolarHBondContact CD1-O 3.26Å; I3152-A3362 HydrophobicContact CG1-CB 4.18Å |
| 3153 | P | 75.3 | Confident | 67.9 | Low | 79 Ų | 79 | 80.1 Ų | 80.1 | 51% | 0.513 | 41% | 0.408 | S | S | . | . | P | Polyproline II helix | trans | -51.8 | 133.3 | 176.2 | -26.5 | 33.8 | 0 | 0 | 0 | 111.8 | N3155 L3156 T3157 | P3153-N3155 PolarHBondContact O-N 3.02Å; P3153-L3156 HydrophobicContact CB-CB 4.48Å; P3153-L3156 WeakPolarHBondContact O-CA 3.33Å; P3153-L3156 WeakPolarHBondContact O-CB 3.48Å; P3153-L3156 PolarHBondContact O-N 2.86Å; P3153-T3157 PolarHBondContact O-N 3.29Å; P3153-T3157 PolarHBondContact O-OG1 3.39Å |
| 3154 | E | 73.9 | Confident | 68.6 | Low | 165 Ų | 165 | 79.9 Ų | 79.9 | 77% | 0.771 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -55.1 | -35 | -171 | -169.5 | 175.3 | -171.6 | 0 | 0 | 113.6 | I3152 T3157 T3158 | I3152-E3154 PolarHBondContact O-N 3.38Å; E3154-T3157 PolarHBondContact O-N 3.23Å; E3154-T3158 WeakPolarHBondContact O-CB 3.48Å; E3154-T3158 PolarHBondContact O-N 2.82Å; E3154-T3158 PolarHBondContact O-OG1 3.48Å |
| 3155 | N | 76.6 | Confident | 68.7 | Low | 136 Ų | 136 | 84.6 Ų | 84.6 | 73% | 0.727 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -64.8 | -43.7 | 175.3 | -167.9 | -8.8 | 0 | 0 | 0 | 112 | P3153 T3158 R3159 | P3153-N3155 PolarHBondContact O-N 3.02Å; N3155-T3158 PolarHBondContact O-N 3.44Å; N3155-R3159 WeakPolarHBondContact O-CB 3.29Å; N3155-R3159 PolarHBondContact O-N 3.46Å |
| 3156 | L | 80.8 | Confident | 68.8 | Low | 14 Ų | 14 | 87 Ų | 87 | 7% | 0.073 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -67 | -45.7 | 175.6 | -177.5 | 58.2 | 0 | 0 | 0 | 110.2 | I3152 P3153 T3158 R3159 L3160 Y3181 H3184 | I3152-L3156 HydrophobicContact CG2-CB 3.93Å; I3152-L3156 HydrophobicContact CG2-CD2 3.87Å; I3152-L3156 HydrophobicContact CG2-CG 3.89Å; P3153-L3156 HydrophobicContact CB-CB 4.48Å; P3153-L3156 WeakPolarHBondContact O-CA 3.33Å; P3153-L3156 WeakPolarHBondContact O-CB 3.48Å; P3153-L3156 PolarHBondContact O-N 2.86Å; L3156-T3158 VanDerWaalsContact C-N 3.3Å; L3156-T3158 PolarHBondContact O-N 3.13Å; L3156-R3159 WeakPolarHBondContact O-CB 3.32Å; L3156-R3159 PolarHBondContact O-N 2.99Å; L3156-R3159 VanDerWaalsContact O-N 3.07Å; L3156-L3160 HydrophobicContact CD1-CD1 4.3Å; L3156-L3160 HydrophobicContact CD1-CD2 4.23Å; L3156-L3160 HydrophobicContact CD1-CG 4.03Å; L3156-L3160 HydrophobicContact CG-CD1 4Å; L3156-L3160 HydrophobicContact CG-CG 4.19Å; L3156-L3160 VanDerWaalsContact O-CG 3.28Å; L3156-L3160 WeakPolarHBondContact O-CG 3.48Å; L3156-L3160 PolarHBondContact O-N 3.3Å; L3156-Y3181 HydrophobicContact CD2-CD2 4.16Å; L3156-H3184 HydrophobicContact CD1-CB 4.06Å; L3156-H3184 VanDerWaalsContact CD1-CD2 3.49Å; L3156-H3184 WeakPolarHBondContact CD1-CD2 3.38Å; L3156-H3184 HydrophobicContact CD2-CB 3.96Å |
| 3157 | T | 79.1 | Confident | 68.9 | Low | 28 Ų | 28 | 86 Ų | 86 | 17% | 0.172 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -54.4 | -45.7 | 175.2 | -55 | 0 | 0 | 0 | 0 | 112 | I3152 P3153 E3154 L3160 N3161 I3359 | I3152-T3157 WeakPolarHBondContact CB-OG1 3.48Å; I3152-T3157 VanDerWaalsContact CG2-OG1 3.27Å; I3152-T3157 WeakPolarHBondContact CG2-OG1 3.38Å; I3152-T3157 PolarHBondContact O-OG1 3.49Å; P3153-T3157 PolarHBondContact O-N 3.29Å; P3153-T3157 PolarHBondContact O-OG1 3.39Å; E3154-T3157 PolarHBondContact O-N 3.23Å; T3157-L3160 PolarHBondContact O-N 2.95Å; T3157-N3161 WeakPolarHBondContact CG2-ND2 3.48Å; T3157-N3161 WeakPolarHBondContact O-CB 3.48Å; T3157-N3161 PolarHBondContact O-N 3.42Å; T3157-N3161 PolarHBondContact O-ND2 3.14Å; T3157-I3359 WeakPolarHBondContact CG2-O 3.3Å |
| 3158 | T | 78.4 | Confident | 69 | Low | 76 Ų | 76 | 87.6 Ų | 87.6 | 47% | 0.466 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -63.8 | -43.1 | 177.1 | -56.2 | 0 | 0 | 0 | 0 | 111.2 | E3154 N3155 L3156 R3162 | E3154-T3158 WeakPolarHBondContact O-CB 3.48Å; E3154-T3158 PolarHBondContact O-N 2.82Å; E3154-T3158 PolarHBondContact O-OG1 3.48Å; N3155-T3158 PolarHBondContact O-N 3.44Å; L3156-T3158 VanDerWaalsContact C-N 3.3Å; L3156-T3158 PolarHBondContact O-N 3.13Å; T3158-R3162 WeakPolarHBondContact O-CB 3.33Å; T3158-R3162 VanDerWaalsContact O-CG 3.31Å; T3158-R3162 WeakPolarHBondContact O-CG 3.44Å; T3158-R3162 PolarHBondContact O-N 3.26Å |
| 3159 | R | 79.8 | Confident | 69.1 | Low | 117 Ų | 117 | 85.2 Ų | 85.2 | 44% | 0.442 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -64.3 | -44.8 | 178.4 | -172.9 | 176.3 | 174.7 | 170.1 | -2.4 | 112.1 | N3155 L3156 R3162 M3163 L3180 H3184 | N3155-R3159 WeakPolarHBondContact O-CB 3.29Å; N3155-R3159 PolarHBondContact O-N 3.46Å; L3156-R3159 WeakPolarHBondContact O-CB 3.32Å; L3156-R3159 PolarHBondContact O-N 2.99Å; L3156-R3159 VanDerWaalsContact O-N 3.07Å; R3159-R3162 PolarHBondContact O-N 3.36Å; R3159-M3163 PolarHBondContact O-N 3.01Å; R3159-L3180 HydrophobicContact CG-CD2 4.12Å; R3159-H3184 PolarHBondContact NH1-NE2 3.01Å; R3159-H3184 VanDerWaalsContact NH1-NE2 3.19Å |
| 3160 | L | 82.6 | Confident | 69.2 | Low | 0 Ų | 0 | 81.5 Ų | 81.5 | 0% | 0 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -64.7 | -45.5 | 178.1 | -63 | 176.7 | 0 | 0 | 0 | 111.4 | L3156 T3157 R3162 M3163 L3164 I3177 L3180 Y3181 W3346 I3359 | L3156-L3160 HydrophobicContact CD1-CD1 4.3Å; L3156-L3160 HydrophobicContact CD1-CD2 4.23Å; L3156-L3160 HydrophobicContact CD1-CG 4.03Å; L3156-L3160 HydrophobicContact CG-CD1 4Å; L3156-L3160 HydrophobicContact CG-CG 4.19Å; L3156-L3160 VanDerWaalsContact O-CG 3.28Å; L3156-L3160 WeakPolarHBondContact O-CG 3.48Å; L3156-L3160 PolarHBondContact O-N 3.3Å; T3157-L3160 PolarHBondContact O-N 2.95Å; L3160-R3162 VanDerWaalsContact C-N 3.35Å; L3160-R3162 PolarHBondContact O-N 3.06Å; L3160-M3163 PolarHBondContact O-N 3.43Å; L3160-L3164 PolarHBondContact O-N 3.47Å; L3160-I3177 HydrophobicContact CD2-CG2 4.2Å; L3160-L3180 HydrophobicContact CD2-CB 4.36Å; L3160-L3180 HydrophobicContact CD2-CD2 3.81Å; L3160-L3180 HydrophobicContact CD2-CG 4.14Å; L3160-Y3181 HydrophobicContact CD1-CD2 4.42Å; L3160-W3346 HydrophobicContact CD1-CH2 3.96Å; L3160-W3346 HydrophobicContact CD1-CZ3 4.48Å; L3160-I3359 HydrophobicContact CB-CD1 3.62Å; L3160-I3359 HydrophobicContact CD1-CD1 4.47Å; L3160-I3359 HydrophobicContact CD1-CG2 4.24Å |
| 3161 | N | 79.4 | Confident | 69 | Low | 38 Ų | 38 | 82 Ų | 82 | 20% | 0.203 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -64.1 | -36.9 | 176.9 | -77.4 | -56.6 | 0 | 0 | 0 | 112.4 | T3157 M3163 L3164 V3165 I3359 | T3157-N3161 WeakPolarHBondContact CG2-ND2 3.48Å; T3157-N3161 WeakPolarHBondContact O-CB 3.48Å; T3157-N3161 PolarHBondContact O-N 3.42Å; T3157-N3161 PolarHBondContact O-ND2 3.14Å; N3161-M3163 VanDerWaalsContact C-N 3.33Å; N3161-M3163 PolarHBondContact O-N 2.66Å; N3161-L3164 WeakPolarHBondContact O-CB 3.47Å; N3161-L3164 PolarHBondContact O-N 3.07Å; N3161-V3165 WeakPolarHBondContact O-CG2 3.19Å; N3161-V3165 PolarHBondContact O-N 3.12Å; N3161-I3359 PolarHBondContact ND2-O 3.01Å; N3161-I3359 PolarHBondContact OD1-N 2.97Å |
| 3162 | R | 74.5 | Confident | 68.7 | Low | 166 Ų | 166 | 77.3 Ų | 77.3 | 63% | 0.626 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -62.8 | -37.3 | 174.3 | -79.1 | -178.9 | 69.9 | 171.4 | 3.3 | 112.9 | T3158 R3159 L3160 L3164 V3165 N3166 | T3158-R3162 WeakPolarHBondContact O-CB 3.33Å; T3158-R3162 VanDerWaalsContact O-CG 3.31Å; T3158-R3162 WeakPolarHBondContact O-CG 3.44Å; T3158-R3162 PolarHBondContact O-N 3.26Å; R3159-R3162 PolarHBondContact O-N 3.36Å; L3160-R3162 VanDerWaalsContact C-N 3.35Å; L3160-R3162 PolarHBondContact O-N 3.06Å; R3162-L3164 VanDerWaalsContact C-N 3.29Å; R3162-V3165 PolarHBondContact O-N 3.01Å; R3162-N3166 WeakPolarHBondContact O-CB 3.24Å; R3162-N3166 PolarHBondContact O-N 3.43Å |
| 3163 | M | 72.4 | Confident | 68.6 | Low | 40 Ų | 40 | 77.8 Ų | 77.8 | 20% | 0.197 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -64.6 | -37.1 | 175.6 | -72.9 | -178.9 | 62.4 | 0 | 0 | 111.7 | R3159 L3160 N3161 T3167 R3176 I3177 L3180 | R3159-M3163 PolarHBondContact O-N 3.01Å; L3160-M3163 PolarHBondContact O-N 3.43Å; N3161-M3163 VanDerWaalsContact C-N 3.33Å; N3161-M3163 PolarHBondContact O-N 2.66Å; M3163-T3167 PolarHBondContact O-OG1 3.2Å; M3163-R3176 HydrophobicContact CE-CB 4.2Å; M3163-R3176 HydrophobicContact CE-CG 3.86Å; M3163-I3177 HydrophobicContact CB-CG1 4.29Å; M3163-I3177 HydrophobicContact CE-CG1 4.49Å; M3163-L3180 HydrophobicContact SD-CD2 3.38Å; M3163-L3180 WeakPolarHBondContact SD-CD2 3.44Å |
| 3164 | L | 69.9 | Low | 68.8 | Low | 18 Ų | 18 | 75 Ų | 75 | 9% | 0.094 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -69.5 | -33.2 | -179.9 | -154.6 | 84.5 | 0 | 0 | 0 | 113.7 | L3160 N3161 R3162 I3177 M3357 | L3160-L3164 PolarHBondContact O-N 3.47Å; N3161-L3164 WeakPolarHBondContact O-CB 3.47Å; N3161-L3164 PolarHBondContact O-N 3.07Å; R3162-L3164 VanDerWaalsContact C-N 3.29Å; L3164-I3177 HydrophobicContact CB-CD1 4.26Å; L3164-I3177 HydrophobicContact CD1-CD1 3.41Å; L3164-I3177 VanDerWaalsContact CD1-CD1 3.41Å; L3164-I3177 HydrophobicContact CG-CD1 4.46Å; L3164-M3357 HydrophobicContact CD1-CE 3.63Å; L3164-M3357 HydrophobicContact CD2-CB 4.1Å; L3164-M3357 HydrophobicContact CD2-CE 3.91Å; L3164-M3357 WeakPolarHBondContact CD2-O 3.24Å; L3164-M3357 HydrophobicContact CG-CE 4.46Å |
| 3165 | V | 66 | Low | 69.1 | Low | 116 Ų | 116 | 68 Ų | 68 | 70% | 0.703 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -80.8 | -33.4 | -177.7 | 174.8 | 0 | 0 | 0 | 0 | 112.8 | N3161 R3162 T3167 | N3161-V3165 WeakPolarHBondContact O-CG2 3.19Å; N3161-V3165 PolarHBondContact O-N 3.12Å; R3162-V3165 PolarHBondContact O-N 3.01Å; V3165-T3167 VanDerWaalsContact C-N 3.29Å; V3165-T3167 PolarHBondContact O-N 3.07Å; V3165-T3167 VanDerWaalsContact O-N 3.16Å |
| 3166 | N | 56.7 | Low | 69.4 | Low | 120 Ų | 120 | 63.9 Ų | 63.9 | 64% | 0.642 | 34% | 0.34 | S | S | * | . | S | Bend | trans | -79.5 | 7.5 | -164.7 | -85.5 | -3.7 | 0 | 0 | 0 | 116.1 | R3162 | R3162-N3166 WeakPolarHBondContact O-CB 3.24Å; R3162-N3166 PolarHBondContact O-N 3.43Å |
| 3167 | T | 52.3 | Low | 69.5 | Low | 62 Ų | 62 | 63.2 Ų | 63.2 | 38% | 0.38 | 34% | 0.336 | S | S | . | . | trans | -148.3 | 152.9 | -164.8 | 49.1 | 0 | 0 | 0 | 0 | 114.6 | M3163 V3165 N3173 | M3163-T3167 PolarHBondContact O-OG1 3.2Å; V3165-T3167 VanDerWaalsContact C-N 3.29Å; V3165-T3167 PolarHBondContact O-N 3.07Å; V3165-T3167 VanDerWaalsContact O-N 3.16Å; T3167-N3173 WeakPolarHBondContact CB-ND2 3.26Å; T3167-N3173 PolarHBondContact OG1-ND2 2.95Å | ||
| 3168 | T | 52.4 | Low | 69.9 | Low | 143 Ų | 143 | 61.9 Ų | 61.9 | 88% | 0.877 | 33% | 0.328 | S | S | * | . | S | Bend | trans | -81.4 | -31.9 | -177.7 | 35.9 | 0 | 0 | 0 | 0 | 114.1 | ||
| 3169 | D | 52 | Low | 70.5 | Confident | 103 Ų | 103 | 59 Ų | 59 | 55% | 0.551 | 31% | 0.309 | S | S | * | . | trans | -99.8 | 103.6 | -179.3 | -96.9 | -34.7 | 0 | 0 | 0 | 112.1 | T3172 N3173 | D3169-T3172 PolarHBondContact O-OG1 3.29Å; D3169-N3173 PolarHBondContact O-ND2 2.86Å | ||
| 3170 | K | 53.3 | Low | 70.9 | Confident | 70 Ų | 70 | 53.4 Ų | 53.4 | 30% | 0.304 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -79.2 | -29 | -174.2 | -69.1 | -174.5 | 170.4 | -174.9 | 0 | 114.6 | N3173 I3174 F3354 C3355 | K3170-N3173 PolarHBondContact O-N 3.36Å; K3170-I3174 PolarHBondContact O-N 3.2Å; K3170-F3354 PolarHBondContact NZ-O 3.06Å; K3170-C3355 VanDerWaalsContact NZ-CA 3.27Å; K3170-C3355 PolarHBondContact NZ-O 3.32Å |
| 3171 | S | 57.6 | Low | 71.2 | Confident | 68 Ų | 68 | 54.5 Ų | 54.5 | 48% | 0.476 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -69.1 | -42 | -178.4 | 56.7 | 0 | 0 | 0 | 0 | 112.3 | N3173 I3174 | S3171-N3173 PolarHBondContact O-N 3.36Å; S3171-I3174 WeakPolarHBondContact O-CG2 3.37Å; S3171-I3174 PolarHBondContact O-N 3.05Å |
| 3172 | T | 56.7 | Low | 71.8 | Confident | 57 Ų | 57 | 52.7 Ų | 52.7 | 35% | 0.35 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -64.9 | -31.6 | 176.3 | 52.6 | 0 | 0 | 0 | 0 | 111.9 | D3169 | D3169-T3172 PolarHBondContact O-OG1 3.29Å |
| 3173 | N | 70.9 | Confident | 72.7 | Confident | 18 Ų | 18 | 47.3 Ų | 47.3 | 10% | 0.096 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -73.2 | -29.3 | 177.1 | -78 | -65.8 | 0 | 0 | 0 | 114.2 | T3167 D3169 K3170 S3171 G3175 R3176 I3177 | T3167-N3173 WeakPolarHBondContact CB-ND2 3.26Å; T3167-N3173 PolarHBondContact OG1-ND2 2.95Å; D3169-N3173 PolarHBondContact O-ND2 2.86Å; K3170-N3173 PolarHBondContact O-N 3.36Å; S3171-N3173 PolarHBondContact O-N 3.36Å; N3173-G3175 VanDerWaalsContact C-N 3.31Å; N3173-G3175 PolarHBondContact O-N 3.42Å; N3173-R3176 PolarHBondContact O-N 3.49Å; N3173-I3177 HydrophobicContact CB-CD1 4.36Å; N3173-I3177 WeakPolarHBondContact O-CB 3.2Å; N3173-I3177 WeakPolarHBondContact O-CD1 3.32Å; N3173-I3177 WeakPolarHBondContact O-CG1 3.44Å; N3173-I3177 PolarHBondContact O-N 3.27Å |
| 3174 | I | 78.3 | Confident | 73.4 | Confident | 20 Ų | 20 | 48 Ų | 48 | 10% | 0.103 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -65 | -39.4 | 179.5 | -157.1 | 67.3 | 0 | 0 | 0 | 111.4 | K3170 S3171 I3177 G3178 S3299 V3301 W3346 M3357 | K3170-I3174 PolarHBondContact O-N 3.2Å; S3171-I3174 WeakPolarHBondContact O-CG2 3.37Å; S3171-I3174 PolarHBondContact O-N 3.05Å; I3174-I3177 PolarHBondContact O-N 2.65Å; I3174-G3178 PolarHBondContact O-N 3.23Å; I3174-S3299 VanDerWaalsContact O-CB 3.3Å; I3174-S3299 WeakPolarHBondContact O-CB 3.45Å; I3174-S3299 PolarHBondContact O-OG 2.87Å; I3174-V3301 HydrophobicContact CD1-CG2 3.71Å; I3174-V3301 HydrophobicContact CG1-CG2 3.84Å; I3174-W3346 VanDerWaalsContact CD1-CD1 3.41Å; I3174-W3346 HydrophobicContact CD1-CG 3.98Å; I3174-M3357 HydrophobicContact CD1-CE 3.72Å |
| 3175 | G | 80.8 | Confident | 74.2 | Confident | 18 Ų | 18 | 49.2 Ų | 49.2 | 19% | 0.186 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -55.6 | -56.6 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | N3173 I3177 G3178 E3179 | N3173-G3175 VanDerWaalsContact C-N 3.31Å; N3173-G3175 PolarHBondContact O-N 3.42Å; G3175-I3177 VanDerWaalsContact C-N 3.3Å; G3175-I3177 PolarHBondContact O-N 3.4Å; G3175-G3178 CarbonylContact O-C 3.52Å; G3175-G3178 WeakPolarHBondContact O-CA 3.42Å; G3175-G3178 PolarHBondContact O-N 2.84Å; G3175-E3179 PolarHBondContact O-N 2.94Å |
| 3176 | R | 83.5 | Confident | 75.3 | Confident | 50 Ų | 50 | 43.7 Ų | 43.7 | 19% | 0.189 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -63.5 | -33.2 | -178.4 | -156.5 | 177.5 | 173.9 | 76.4 | -2.6 | 113.7 | M3163 N3173 E3179 L3180 W3225 N3227 S3228 | M3163-R3176 HydrophobicContact CE-CB 4.2Å; M3163-R3176 HydrophobicContact CE-CG 3.86Å; N3173-R3176 PolarHBondContact O-N 3.49Å; R3176-E3179 WeakPolarHBondContact CA-OE1 2.95Å; R3176-L3180 VanDerWaalsContact O-CB 3.32Å; R3176-L3180 WeakPolarHBondContact O-CB 2.97Å; R3176-L3180 PolarHBondContact O-N 3.04Å; R3176-W3225 HydrophobicContact CG-CZ2 4.21Å; R3176-N3227 PolarHBondContact NH1-O 3.3Å; R3176-S3228 PolarHBondContact NH2-O 3.19Å |
| 3177 | I | 82.9 | Confident | 76.7 | Confident | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -65.7 | -41.8 | 173 | -79.9 | 167.9 | 0 | 0 | 0 | 110.2 | L3160 M3163 L3164 N3173 I3174 G3175 Y3181 W3346 I3359 | L3160-I3177 HydrophobicContact CD2-CG2 4.2Å; M3163-I3177 HydrophobicContact CB-CG1 4.29Å; M3163-I3177 HydrophobicContact CE-CG1 4.49Å; L3164-I3177 HydrophobicContact CB-CD1 4.26Å; L3164-I3177 HydrophobicContact CD1-CD1 3.41Å; L3164-I3177 VanDerWaalsContact CD1-CD1 3.41Å; L3164-I3177 HydrophobicContact CG-CD1 4.46Å; N3173-I3177 HydrophobicContact CB-CD1 4.36Å; N3173-I3177 WeakPolarHBondContact O-CB 3.2Å; N3173-I3177 WeakPolarHBondContact O-CD1 3.32Å; N3173-I3177 WeakPolarHBondContact O-CG1 3.44Å; N3173-I3177 PolarHBondContact O-N 3.27Å; I3174-I3177 PolarHBondContact O-N 2.65Å; G3175-I3177 VanDerWaalsContact C-N 3.3Å; G3175-I3177 PolarHBondContact O-N 3.4Å; I3177-Y3181 WeakPolarHBondContact O-CB 3.36Å; I3177-Y3181 PolarHBondContact O-N 2.98Å; I3177-W3346 HydrophobicContact CG2-CH2 3.89Å; I3177-W3346 HydrophobicContact CG2-CZ2 3.3Å; I3177-I3359 HydrophobicContact CD1-CD1 4.3Å; I3177-I3359 HydrophobicContact CG2-CD1 3.81Å |
| 3178 | G | 87.8 | Confident | 78.1 | Confident | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -61.5 | -49.5 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | I3174 G3175 L3180 Y3181 I3182 | I3174-G3178 PolarHBondContact O-N 3.23Å; G3175-G3178 CarbonylContact O-C 3.52Å; G3175-G3178 WeakPolarHBondContact O-CA 3.42Å; G3175-G3178 PolarHBondContact O-N 2.84Å; G3178-L3180 PolarHBondContact O-N 3.12Å; G3178-Y3181 WeakPolarHBondContact O-CB 3.14Å; G3178-Y3181 PolarHBondContact O-N 3.28Å; G3178-I3182 WeakPolarHBondContact O-CG1 3.36Å; G3178-I3182 PolarHBondContact O-N 3.41Å |
| 3179 | E | 91.2 | Very high | 79.3 | Confident | 15 Ų | 15 | 34.3 Ų | 34.3 | 7% | 0.07 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -56.1 | -50.1 | 176.6 | -68.4 | 164.8 | -122.1 | 0 | 0 | 111.7 | G3175 R3176 Y3181 I3182 Y3183 W3225 D3237 V3297 | G3175-E3179 PolarHBondContact O-N 2.94Å; R3176-E3179 WeakPolarHBondContact CA-OE1 2.95Å; E3179-Y3181 VanDerWaalsContact C-N 3.33Å; E3179-Y3181 PolarHBondContact O-N 2.86Å; E3179-I3182 PolarHBondContact O-N 3.35Å; E3179-Y3183 WeakPolarHBondContact O-CB 3.4Å; E3179-Y3183 PolarHBondContact O-N 2.92Å; E3179-W3225 HydrophobicContact CB-CZ2 4.02Å; E3179-W3225 PolarHBondContact OE2-NE1 3.33Å; E3179-D3237 HydrophobicContact CG-CB 4.13Å; E3179-V3297 HydrophobicContact CG-CB 4.06Å; E3179-V3297 HydrophobicContact CG-CG1 4.39Å |
| 3180 | L | 88.2 | Confident | 80.7 | Confident | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -61.7 | -41.7 | 179.9 | 178.5 | 63.9 | 0 | 0 | 0 | 111.5 | R3159 L3160 M3163 R3176 G3178 Y3183 H3184 W3225 | R3159-L3180 HydrophobicContact CG-CD2 4.12Å; L3160-L3180 HydrophobicContact CD2-CB 4.36Å; L3160-L3180 HydrophobicContact CD2-CD2 3.81Å; L3160-L3180 HydrophobicContact CD2-CG 4.14Å; M3163-L3180 HydrophobicContact SD-CD2 3.38Å; M3163-L3180 WeakPolarHBondContact SD-CD2 3.44Å; R3176-L3180 VanDerWaalsContact O-CB 3.32Å; R3176-L3180 WeakPolarHBondContact O-CB 2.97Å; R3176-L3180 PolarHBondContact O-N 3.04Å; G3178-L3180 PolarHBondContact O-N 3.12Å; L3180-Y3183 PolarHBondContact O-N 2.78Å; L3180-H3184 WeakPolarHBondContact CD1-CD2 3.39Å; L3180-H3184 WeakPolarHBondContact CD1-NE2 3.48Å; L3180-H3184 PolarHBondContact O-CD2 3.09Å; L3180-H3184 VanDerWaalsContact O-CD2 3.27Å; L3180-H3184 PolarHBondContact O-N 3.42Å; L3180-W3225 HydrophobicContact CB-CH2 3.99Å; L3180-W3225 HydrophobicContact CB-CZ3 4.36Å; L3180-W3225 HydrophobicContact CD1-CE3 4.39Å; L3180-W3225 HydrophobicContact CD1-CH2 4Å; L3180-W3225 HydrophobicContact CD1-CZ3 3.57Å |
| 3181 | Y | 89.2 | Confident | 81.9 | Confident | 22 Ų | 22 | 30.9 Ų | 30.9 | 9% | 0.086 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -59.4 | -52.3 | 176.1 | 174.4 | -97.4 | 0 | 0 | 0 | 110.9 | I3152 L3156 L3160 I3177 G3178 E3179 Y3183 H3184 I3185 W3346 P3363 V3365 | I3152-Y3181 HydrophobicContact CD1-CE2 4.42Å; I3152-Y3181 HydrophobicContact CG1-CE2 4.38Å; L3156-Y3181 HydrophobicContact CD2-CD2 4.16Å; L3160-Y3181 HydrophobicContact CD1-CD2 4.42Å; I3177-Y3181 WeakPolarHBondContact O-CB 3.36Å; I3177-Y3181 PolarHBondContact O-N 2.98Å; G3178-Y3181 WeakPolarHBondContact O-CB 3.14Å; G3178-Y3181 PolarHBondContact O-N 3.28Å; E3179-Y3181 VanDerWaalsContact C-N 3.33Å; E3179-Y3181 PolarHBondContact O-N 2.86Å; Y3181-Y3183 VanDerWaalsContact C-N 3.35Å; Y3181-Y3183 PolarHBondContact O-N 3.49Å; Y3181-H3184 PolarHBondContact O-N 3.37Å; Y3181-I3185 HydrophobicContact CD1-CG1 4.4Å; Y3181-I3185 HydrophobicContact CD2-CG1 4.48Å; Y3181-I3185 HydrophobicContact CE1-CG1 4Å; Y3181-I3185 HydrophobicContact CE2-CD1 4.18Å; Y3181-I3185 HydrophobicContact CE2-CG1 4.1Å; Y3181-I3185 WeakPolarHBondContact O-CG1 3.24Å; Y3181-I3185 PolarHBondContact O-N 3.45Å; Y3181-W3346 HydrophobicContact CD2-CH2 4.09Å; Y3181-W3346 HydrophobicContact CG-CH2 4.03Å; Y3181-W3346 HydrophobicContact CG-CZ2 4.4Å; Y3181-P3363 HydrophobicContact CD1-CG 3.77Å; Y3181-P3363 HydrophobicContact CD2-CG 4.4Å; Y3181-P3363 HydrophobicContact CE1-CG 3.5Å; Y3181-P3363 HydrophobicContact CE2-CG 4.18Å; Y3181-P3363 HydrophobicContact CG-CG 4.21Å; Y3181-V3365 HydrophobicContact CE1-CG2 3.95Å |
| 3182 | I | 91.4 | Very high | 82.5 | Confident | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -58.5 | -46.7 | 178.5 | -67.8 | -59.6 | 0 | 0 | 0 | 111.2 | W3144 G3178 E3179 H3184 I3185 L3186 L3238 V3297 L3342 V3344 V3365 | W3144-I3182 HydrophobicContact CE3-CD1 4.44Å; W3144-I3182 HydrophobicContact CH2-CD1 3.44Å; W3144-I3182 VanDerWaalsContact CH2-CD1 3.44Å; W3144-I3182 HydrophobicContact CH2-CG2 4.26Å; W3144-I3182 HydrophobicContact CZ2-CD1 4.23Å; W3144-I3182 HydrophobicContact CZ3-CD1 3.56Å; G3178-I3182 WeakPolarHBondContact O-CG1 3.36Å; G3178-I3182 PolarHBondContact O-N 3.41Å; E3179-I3182 PolarHBondContact O-N 3.35Å; I3182-H3184 PolarHBondContact O-N 2.64Å; I3182-I3185 PolarHBondContact O-N 3.15Å; I3182-L3186 HydrophobicContact CG2-CD1 3.75Å; I3182-L3186 HydrophobicContact CG2-CG 4.34Å; I3182-L3186 VanDerWaalsContact O-CG 3.29Å; I3182-L3186 WeakPolarHBondContact O-CG 3.24Å; I3182-L3186 PolarHBondContact O-N 2.95Å; I3182-L3238 HydrophobicContact CG2-CD1 4.15Å; I3182-L3238 HydrophobicContact CG2-CD2 4.32Å; I3182-V3297 HydrophobicContact CB-CG2 4.4Å; I3182-V3297 HydrophobicContact CG1-CG1 4.08Å; I3182-V3297 HydrophobicContact CG1-CG2 4.33Å; I3182-V3297 HydrophobicContact CG2-CG2 4.25Å; I3182-L3342 HydrophobicContact CD1-CD1 4.19Å; I3182-L3342 HydrophobicContact CG1-CD1 4.37Å; I3182-L3342 HydrophobicContact CG2-CD1 3.49Å; I3182-L3342 VanDerWaalsContact CG2-CD1 3.49Å; I3182-V3344 HydrophobicContact CD1-CG2 3.81Å; I3182-V3344 HydrophobicContact CG1-CG2 3.74Å; I3182-V3365 HydrophobicContact CD1-CG1 3.9Å; I3182-V3365 HydrophobicContact CD1-CG2 4.1Å |
| 3183 | Y | 92.5 | Very high | 83 | Confident | 54 Ų | 54 | 31.7 Ų | 31.7 | 21% | 0.212 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -58 | -46.6 | 178.7 | 177.6 | -112.6 | 0 | 0 | 0 | 112.3 | E3179 L3180 Y3181 L3186 L3187 W3225 L3238 | E3179-Y3183 WeakPolarHBondContact O-CB 3.4Å; E3179-Y3183 PolarHBondContact O-N 2.92Å; L3180-Y3183 PolarHBondContact O-N 2.78Å; Y3181-Y3183 VanDerWaalsContact C-N 3.35Å; Y3181-Y3183 PolarHBondContact O-N 3.49Å; Y3183-L3186 PolarHBondContact O-N 2.95Å; Y3183-L3187 HydrophobicContact CD1-CD1 3.95Å; Y3183-L3187 HydrophobicContact CD1-CG 4.47Å; Y3183-L3187 HydrophobicContact CD2-CG 4.36Å; Y3183-L3187 HydrophobicContact CE1-CD1 3.28Å; Y3183-L3187 HydrophobicContact CE1-CG 4.06Å; Y3183-L3187 HydrophobicContact CE2-CD1 4.02Å; Y3183-L3187 HydrophobicContact CE2-CD2 4.27Å; Y3183-L3187 HydrophobicContact CE2-CG 3.93Å; Y3183-L3187 WeakPolarHBondContact O-CB 3.5Å; Y3183-L3187 PolarHBondContact O-N 3.3Å; Y3183-W3225 HydrophobicContact CD1-CB 4.45Å; Y3183-W3225 AromaticContact CD1-CE3 4Å; Y3183-W3225 HydrophobicContact CD1-CE3 4Å; Y3183-W3225 HydrophobicContact CD2-CB 3.56Å; Y3183-W3225 HydrophobicContact CE1-CE3 4.45Å; Y3183-W3225 HydrophobicContact CE2-CB 3.81Å; Y3183-W3225 HydrophobicContact CG-CB 3.89Å; Y3183-W3225 HydrophobicContact CG-CE3 4.27Å; Y3183-W3225 HydrophobicContact CG-CG 4.46Å; Y3183-L3238 HydrophobicContact CD2-CD2 4.03Å; Y3183-L3238 HydrophobicContact CG-CD2 4.5Å |
| 3184 | H | 87.6 | Confident | 82.8 | Confident | 53 Ų | 53 | 35.1 Ų | 35.1 | 25% | 0.245 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -64.4 | -40.5 | 178.1 | -89 | -71.3 | 0 | 0 | 0 | 112.8 | L3156 R3159 L3180 Y3181 I3182 L3187 D3188 | L3156-H3184 HydrophobicContact CD1-CB 4.06Å; L3156-H3184 VanDerWaalsContact CD1-CD2 3.49Å; L3156-H3184 WeakPolarHBondContact CD1-CD2 3.38Å; L3156-H3184 HydrophobicContact CD2-CB 3.96Å; R3159-H3184 PolarHBondContact NH1-NE2 3.01Å; R3159-H3184 VanDerWaalsContact NH1-NE2 3.19Å; L3180-H3184 WeakPolarHBondContact CD1-CD2 3.39Å; L3180-H3184 WeakPolarHBondContact CD1-NE2 3.48Å; L3180-H3184 PolarHBondContact O-CD2 3.09Å; L3180-H3184 VanDerWaalsContact O-CD2 3.27Å; L3180-H3184 PolarHBondContact O-N 3.42Å; Y3181-H3184 PolarHBondContact O-N 3.37Å; I3182-H3184 PolarHBondContact O-N 2.64Å; H3184-L3187 PolarHBondContact O-N 3.2Å; H3184-D3188 WeakPolarHBondContact O-CB 3.33Å; H3184-D3188 PolarHBondContact O-N 3.18Å |
| 3185 | I | 86.1 | Confident | 81.9 | Confident | 45 Ų | 45 | 40.4 Ų | 40.4 | 23% | 0.231 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -62.6 | -45.3 | 176.4 | -65 | -63.7 | 0 | 0 | 0 | 110.5 | F3143 W3144 Y3181 I3182 L3187 Y3189 | F3143-I3185 HydrophobicContact CE1-CG2 4.48Å; W3144-I3185 HydrophobicContact CH2-CG2 4.32Å; W3144-I3185 HydrophobicContact CZ3-CB 4.26Å; W3144-I3185 HydrophobicContact CZ3-CG2 3.75Å; Y3181-I3185 HydrophobicContact CD1-CG1 4.4Å; Y3181-I3185 HydrophobicContact CD2-CG1 4.48Å; Y3181-I3185 HydrophobicContact CE1-CG1 4Å; Y3181-I3185 HydrophobicContact CE2-CD1 4.18Å; Y3181-I3185 HydrophobicContact CE2-CG1 4.1Å; Y3181-I3185 WeakPolarHBondContact O-CG1 3.24Å; Y3181-I3185 PolarHBondContact O-N 3.45Å; I3182-I3185 PolarHBondContact O-N 3.15Å; I3185-L3187 PolarHBondContact O-N 3.08Å; I3185-Y3189 WeakPolarHBondContact O-CB 3.39Å; I3185-Y3189 PolarHBondContact O-N 2.9Å; I3185-Y3189 VanDerWaalsContact O-N 3.11Å |
| 3186 | L | 89.3 | Confident | 80.4 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -65.1 | -38 | 177.9 | -67.1 | 172.2 | 0 | 0 | 0 | 112.4 | F3143 W3144 I3182 Y3183 Y3189 I3190 F3208 L3220 C3223 L3238 V3240 I3295 | F3143-L3186 HydrophobicContact CE1-CD2 3.86Å; F3143-L3186 HydrophobicContact CZ-CD2 3.61Å; W3144-L3186 HydrophobicContact CH2-CD2 4.44Å; I3182-L3186 HydrophobicContact CG2-CD1 3.75Å; I3182-L3186 HydrophobicContact CG2-CG 4.34Å; I3182-L3186 VanDerWaalsContact O-CG 3.29Å; I3182-L3186 WeakPolarHBondContact O-CG 3.24Å; I3182-L3186 PolarHBondContact O-N 2.95Å; Y3183-L3186 PolarHBondContact O-N 2.95Å; L3186-Y3189 WeakPolarHBondContact O-CB 3.45Å; L3186-I3190 WeakPolarHBondContact O-CG1 3.4Å; L3186-I3190 PolarHBondContact O-N 2.82Å; L3186-I3190 VanDerWaalsContact O-N 3.07Å; L3186-F3208 HydrophobicContact CD2-CD2 4.22Å; L3186-F3208 HydrophobicContact CD2-CE2 3.86Å; L3186-L3220 HydrophobicContact CB-CD2 3.84Å; L3186-L3220 HydrophobicContact CD2-CD2 3.52Å; L3186-L3220 HydrophobicContact CG-CD2 4.21Å; L3186-C3223 HydrophobicContact CB-CB 4.18Å; L3186-L3238 HydrophobicContact CD1-CD2 4.13Å; L3186-V3240 HydrophobicContact CD1-CG1 4.35Å; L3186-I3295 HydrophobicContact CD1-CD1 4.48Å |
| 3187 | L | 86.3 | Confident | 78.8 | Confident | 39 Ų | 39 | 51.4 Ų | 51.4 | 20% | 0.204 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -67.7 | -48.9 | 175.5 | -82.8 | -174.8 | 0 | 0 | 0 | 112.8 | Y3183 H3184 I3185 Y3189 I3190 H3191 | Y3183-L3187 HydrophobicContact CD1-CD1 3.95Å; Y3183-L3187 HydrophobicContact CD1-CG 4.47Å; Y3183-L3187 HydrophobicContact CD2-CG 4.36Å; Y3183-L3187 HydrophobicContact CE1-CD1 3.28Å; Y3183-L3187 HydrophobicContact CE1-CG 4.06Å; Y3183-L3187 HydrophobicContact CE2-CD1 4.02Å; Y3183-L3187 HydrophobicContact CE2-CD2 4.27Å; Y3183-L3187 HydrophobicContact CE2-CG 3.93Å; Y3183-L3187 WeakPolarHBondContact O-CB 3.5Å; Y3183-L3187 PolarHBondContact O-N 3.3Å; H3184-L3187 PolarHBondContact O-N 3.2Å; I3185-L3187 PolarHBondContact O-N 3.08Å; L3187-Y3189 PolarHBondContact O-N 3.38Å; L3187-I3190 PolarHBondContact O-N 3.31Å; L3187-I3190 VanDerWaalsContact O-N 3.08Å; L3187-H3191 PolarHBondContact O-CD2 3.39Å; L3187-H3191 PolarHBondContact O-N 3.25Å |
| 3188 | D | 81.1 | Confident | 77 | Confident | 68 Ų | 68 | 53.7 Ų | 53.7 | 36% | 0.364 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -55.3 | -37.7 | 177.8 | -175.6 | 46 | 0 | 0 | 0 | 110.3 | H3184 H3191 R3192 | H3184-D3188 WeakPolarHBondContact O-CB 3.33Å; H3184-D3188 PolarHBondContact O-N 3.18Å; D3188-H3191 PolarHBondContact O-N 3.32Å; D3188-R3192 WeakPolarHBondContact O-CG 3.32Å; D3188-R3192 PolarHBondContact O-N 3.46Å; D3188-R3192 IonicContact OD1-NE 2.64Å; D3188-R3192 IonicContact OD2-CZ 3.97Å; D3188-R3192 IonicContact OD2-NE 3.74Å; D3188-R3192 PolarHBondContact OD2-NE 3.02Å; D3188-R3192 IonicContact OD2-NH2 3.58Å; D3188-R3192 PolarHBondContact OD2-NH2 3.29Å |
| 3189 | Y | 77.8 | Confident | 75.2 | Confident | 20 Ų | 20 | 59.8 Ų | 59.8 | 8% | 0.078 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -64 | -49.8 | 174.1 | -160.4 | -101.7 | 0 | 0 | 0 | 114.3 | F3143 I3185 L3186 L3187 H3191 R3192 T3193 S3205 C3206 E3207 L3220 | F3143-Y3189 HydrophobicContact CD2-CE1 4.34Å; F3143-Y3189 HydrophobicContact CD2-CE2 4.16Å; F3143-Y3189 AromaticContact CD2-CZ 3.76Å; F3143-Y3189 WeakPolarHBondContact CD2-OH 3.35Å; F3143-Y3189 AromaticContact CE2-CD1 3.96Å; F3143-Y3189 HydrophobicContact CE2-CD1 3.96Å; F3143-Y3189 HydrophobicContact CE2-CD2 4.1Å; F3143-Y3189 AromaticContact CE2-CE1 3.54Å; F3143-Y3189 HydrophobicContact CE2-CE1 3.54Å; F3143-Y3189 AromaticContact CE2-CE2 3.69Å; F3143-Y3189 HydrophobicContact CE2-CE2 3.69Å; F3143-Y3189 HydrophobicContact CE2-CG 4.13Å; F3143-Y3189 AromaticContact CE2-CZ 3.3Å; F3143-Y3189 VanDerWaalsContact CE2-OH 3.24Å; F3143-Y3189 WeakPolarHBondContact CE2-OH 3.41Å; F3143-Y3189 HydrophobicContact CZ-CD1 4.38Å; F3143-Y3189 HydrophobicContact CZ-CD2 4.32Å; F3143-Y3189 HydrophobicContact CZ-CE1 4.38Å; F3143-Y3189 HydrophobicContact CZ-CE2 4.31Å; F3143-Y3189 HydrophobicContact CZ-CG 4.25Å; I3185-Y3189 WeakPolarHBondContact O-CB 3.39Å; I3185-Y3189 PolarHBondContact O-N 2.9Å; I3185-Y3189 VanDerWaalsContact O-N 3.11Å; L3186-Y3189 WeakPolarHBondContact O-CB 3.45Å; L3187-Y3189 PolarHBondContact O-N 3.38Å; Y3189-H3191 PolarHBondContact O-N 3.33Å; Y3189-R3192 PolarHBondContact O-N 2.82Å; Y3189-R3192 VanDerWaalsContact O-N 3.15Å; Y3189-T3193 HydrophobicContact CD1-CG2 4.27Å; Y3189-T3193 HydrophobicContact CE1-CG2 4.39Å; Y3189-T3193 WeakPolarHBondContact O-CG2 3.24Å; Y3189-T3193 PolarHBondContact O-N 3.08Å; Y3189-S3205 WeakPolarHBondContact CE2-O 3.38Å; Y3189-S3205 PolarHBondContact OH-O 3.05Å; Y3189-C3206 HydrophobicContact CD1-CB 4.18Å; Y3189-C3206 HydrophobicContact CE1-CB 3.27Å; Y3189-C3206 VanDerWaalsContact CE1-O 3.26Å; Y3189-C3206 WeakPolarHBondContact CE1-O 3.28Å; Y3189-C3206 HydrophobicContact CE2-CB 3.93Å; Y3189-C3206 WeakPolarHBondContact CE2-SG 3.44Å; Y3189-C3206 WeakPolarHBondContact OH-CA 3.35Å; Y3189-C3206 WeakPolarHBondContact OH-CB 3.43Å; Y3189-C3206 PolarHBondContact OH-N 3.43Å; Y3189-C3206 PolarHBondContact OH-O 2.69Å; Y3189-E3207 PolarHBondContact OH-N 3.32Å; Y3189-L3220 HydrophobicContact CD1-CB 4.21Å; Y3189-L3220 HydrophobicContact CE1-CB 4.43Å |
| 3190 | I | 82.3 | Confident | 73 | Confident | 9 Ų | 9 | 62.1 Ų | 62.1 | 5% | 0.046 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -55 | -42.8 | 174.7 | -69.1 | 162.6 | 0 | 0 | 0 | 109.6 | L3186 L3187 T3193 Q3194 L3220 C3223 | L3186-I3190 WeakPolarHBondContact O-CG1 3.4Å; L3186-I3190 PolarHBondContact O-N 2.82Å; L3186-I3190 VanDerWaalsContact O-N 3.07Å; L3187-I3190 PolarHBondContact O-N 3.31Å; L3187-I3190 VanDerWaalsContact O-N 3.08Å; I3190-T3193 PolarHBondContact O-N 2.95Å; I3190-T3193 PolarHBondContact O-OG1 3.17Å; I3190-Q3194 HydrophobicContact CG2-CG 4.5Å; I3190-Q3194 WeakPolarHBondContact O-CG 3.3Å; I3190-Q3194 PolarHBondContact O-N 2.87Å; I3190-L3220 HydrophobicContact CD1-CD2 4Å; I3190-L3220 HydrophobicContact CD1-CG 4.14Å; I3190-L3220 HydrophobicContact CG1-CB 4.32Å; I3190-L3220 HydrophobicContact CG1-CD2 3.95Å; I3190-L3220 HydrophobicContact CG1-CG 4.01Å; I3190-C3223 HydrophobicContact CD1-CB 3.66Å |
| 3191 | H | 78.3 | Confident | 71 | Confident | 92 Ų | 92 | 68.9 Ų | 68.9 | 43% | 0.426 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -64.4 | -43.3 | 177 | -70.7 | -53.3 | 0 | 0 | 0 | 113.4 | L3187 D3188 Y3189 T3193 Q3194 N3195 | L3187-H3191 PolarHBondContact O-CD2 3.39Å; L3187-H3191 PolarHBondContact O-N 3.25Å; D3188-H3191 PolarHBondContact O-N 3.32Å; Y3189-H3191 PolarHBondContact O-N 3.33Å; H3191-T3193 VanDerWaalsContact C-N 3.3Å; H3191-T3193 PolarHBondContact O-N 2.89Å; H3191-Q3194 PolarHBondContact O-N 2.97Å; H3191-Q3194 VanDerWaalsContact O-N 3.17Å; H3191-N3195 PolarHBondContact O-N 3.29Å; H3191-N3195 PolarHBondContact O-ND2 2.81Å |
| 3192 | R | 70.3 | Confident | 69 | Low | 141 Ų | 141 | 75.1 Ų | 75.1 | 53% | 0.532 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -59.1 | -42.5 | 174.8 | -71.8 | 176.3 | -164.3 | -174.7 | 2.5 | 111.7 | D3188 Y3189 Q3194 N3195 H3196 | D3188-R3192 WeakPolarHBondContact O-CG 3.32Å; D3188-R3192 PolarHBondContact O-N 3.46Å; D3188-R3192 IonicContact OD1-NE 2.64Å; D3188-R3192 IonicContact OD2-CZ 3.97Å; D3188-R3192 IonicContact OD2-NE 3.74Å; D3188-R3192 PolarHBondContact OD2-NE 3.02Å; D3188-R3192 IonicContact OD2-NH2 3.58Å; D3188-R3192 PolarHBondContact OD2-NH2 3.29Å; Y3189-R3192 PolarHBondContact O-N 2.82Å; Y3189-R3192 VanDerWaalsContact O-N 3.15Å; R3192-Q3194 VanDerWaalsContact C-N 3.33Å; R3192-Q3194 PolarHBondContact O-N 2.76Å; R3192-N3195 PolarHBondContact O-N 3.14Å; R3192-H3196 PolarHBondContact O-CD2 3.42Å; R3192-H3196 PolarHBondContact O-N 2.9Å; R3192-H3196 VanDerWaalsContact O-N 3.07Å |
| 3193 | T | 66.4 | Low | 66.8 | Low | 1 Ų | 1 | 76.2 Ų | 76.2 | 1% | 0.006 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -69 | -31.2 | 177.5 | 71.2 | 0 | 0 | 0 | 0 | 112.9 | Y3189 I3190 H3191 C3206 R3219 | Y3189-T3193 HydrophobicContact CD1-CG2 4.27Å; Y3189-T3193 HydrophobicContact CE1-CG2 4.39Å; Y3189-T3193 WeakPolarHBondContact O-CG2 3.24Å; Y3189-T3193 PolarHBondContact O-N 3.08Å; I3190-T3193 PolarHBondContact O-N 2.95Å; I3190-T3193 PolarHBondContact O-OG1 3.17Å; H3191-T3193 VanDerWaalsContact C-N 3.3Å; H3191-T3193 PolarHBondContact O-N 2.89Å; T3193-C3206 HydrophobicContact CG2-CB 3.46Å; T3193-C3206 VanDerWaalsContact CG2-CB 3.46Å; T3193-C3206 VanDerWaalsContact CG2-SG 3.6Å; T3193-R3219 VanDerWaalsContact CB-CZ 3.48Å; T3193-R3219 VanDerWaalsContact CB-NE 3.33Å; T3193-R3219 VanDerWaalsContact CB-NH2 3.26Å; T3193-R3219 HydrophobicContact CG2-CG 4.2Å; T3193-R3219 PolarHBondContact O-NH2 3.43Å; T3193-R3219 PolarHBondContact OG1-NE 2.88Å; T3193-R3219 VanDerWaalsContact OG1-NE 3.16Å; T3193-R3219 PolarHBondContact OG1-NH2 3.27Å |
| 3194 | Q | 68 | Low | 64.7 | Low | 91 Ų | 91 | 78.3 Ų | 78.3 | 43% | 0.425 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -71.8 | -36.4 | 175.8 | -74.5 | 174 | -0.1 | 0 | 0 | 111.3 | I3190 H3191 R3192 H3197 | I3190-Q3194 HydrophobicContact CG2-CG 4.5Å; I3190-Q3194 WeakPolarHBondContact O-CG 3.3Å; I3190-Q3194 PolarHBondContact O-N 2.87Å; H3191-Q3194 PolarHBondContact O-N 2.97Å; H3191-Q3194 VanDerWaalsContact O-N 3.17Å; R3192-Q3194 VanDerWaalsContact C-N 3.33Å; R3192-Q3194 PolarHBondContact O-N 2.76Å; Q3194-H3197 PolarHBondContact O-CE1 2.84Å; Q3194-H3197 PolarHBondContact O-ND1 2.73Å |
| 3195 | N | 59.1 | Low | 62.9 | Low | 131 Ų | 131 | 79.8 Ų | 79.8 | 70% | 0.701 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -74.1 | -37.2 | 179.9 | -71.1 | -19.6 | 0 | 0 | 0 | 113.2 | H3191 R3192 H3197 | H3191-N3195 PolarHBondContact O-N 3.29Å; H3191-N3195 PolarHBondContact O-ND2 2.81Å; R3192-N3195 PolarHBondContact O-N 3.14Å; N3195-H3197 PolarHBondContact O-N 2.77Å; N3195-H3197 VanDerWaalsContact O-N 3.15Å |
| 3196 | H | 50.1 | Low | 61.6 | Low | 115 Ų | 115 | 78 Ų | 78 | 53% | 0.532 | 40% | 0.396 | S | S | . | . | trans | -82.7 | 88 | 171.5 | -70 | -72.6 | 0 | 0 | 0 | 109.7 | R3192 S3198 | R3192-H3196 PolarHBondContact O-CD2 3.42Å; R3192-H3196 PolarHBondContact O-N 2.9Å; R3192-H3196 VanDerWaalsContact O-N 3.07Å; H3196-S3198 PolarHBondContact O-N 3.32Å; H3196-S3198 VanDerWaalsContact O-N 3.15Å | ||
| 3197 | H | 49.2 | Very low | 60.9 | Low | 183 Ų | 183 | 82.1 Ų | 82.1 | 85% | 0.847 | 41% | 0.414 | S | S | * | . | trans | -69.8 | 7.9 | 170.2 | -84.8 | 23.9 | 0 | 0 | 0 | 113.6 | Q3194 N3195 | Q3194-H3197 PolarHBondContact O-CE1 2.84Å; Q3194-H3197 PolarHBondContact O-ND1 2.73Å; N3195-H3197 PolarHBondContact O-N 2.77Å; N3195-H3197 VanDerWaalsContact O-N 3.15Å | ||
| 3198 | S | 44.9 | Very low | 60.9 | Low | 49 Ų | 49 | 80.2 Ų | 80.2 | 34% | 0.343 | 41% | 0.405 | S | S | . | . | S | Bend | trans | -83.7 | 152.5 | 179.8 | 48.8 | 0 | 0 | 0 | 0 | 112.4 | H3196 E3202 | H3196-S3198 PolarHBondContact O-N 3.32Å; H3196-S3198 VanDerWaalsContact O-N 3.15Å; S3198-E3202 PolarHBondContact OG-OE2 2.75Å |
| 3199 | N | 49.2 | Very low | 61.2 | Low | 128 Ų | 128 | 77.5 Ų | 77.5 | 68% | 0.684 | 39% | 0.391 | S | S | * | . | trans | -41.3 | 142.3 | -175.8 | -81.8 | -25.1 | 0 | 0 | 0 | 113.8 | D3201 E3202 | N3199-D3201 PolarHBondContact O-N 3.28Å; N3199-E3202 PolarHBondContact O-N 2.92Å | ||
| 3200 | F | 45.8 | Very low | 61.7 | Low | 63 Ų | 63 | 76.6 Ų | 76.6 | 28% | 0.276 | 39% | 0.387 | S | S | . | . | G | 310 helix | trans | -46.3 | -31.5 | -179.3 | -128.1 | -90.2 | 0 | 0 | 0 | 113.5 | E3202 I3203 R3219 E3245 | F3200-E3202 VanDerWaalsContact C-N 3.3Å; F3200-E3202 PolarHBondContact O-N 3.1Å; F3200-I3203 PolarHBondContact O-N 2.92Å; F3200-R3219 HydrophobicContact CE1-CB 4.15Å; F3200-R3219 HydrophobicContact CE2-CB 4.14Å; F3200-R3219 HydrophobicContact CZ-CB 3.45Å; F3200-R3219 VanDerWaalsContact CZ-CB 3.45Å; F3200-R3219 HydrophobicContact CZ-CG 4.49Å; F3200-E3245 HydrophobicContact CD1-CG 4.47Å; F3200-E3245 VanDerWaalsContact CD2-CD 3.42Å; F3200-E3245 HydrophobicContact CD2-CG 3.87Å; F3200-E3245 WeakPolarHBondContact CD2-OE1 3.32Å; F3200-E3245 HydrophobicContact CE1-CG 4.41Å; F3200-E3245 HydrophobicContact CE2-CG 3.8Å; F3200-E3245 HydrophobicContact CG-CG 4.2Å; F3200-E3245 HydrophobicContact CZ-CG 4.07Å |
| 3201 | D | 47.2 | Very low | 61.8 | Low | 143 Ų | 143 | 76.9 Ų | 76.9 | 77% | 0.765 | 39% | 0.393 | S | S | * | . | G | 310 helix | trans | -61.8 | -27.4 | -178.5 | -63.1 | -30 | 0 | 0 | 0 | 114.7 | N3199 | N3199-D3201 PolarHBondContact O-N 3.28Š|
| 3202 | E | 46.2 | Very low | 62.3 | Low | 152 Ų | 152 | 73.1 Ų | 73.1 | 71% | 0.71 | 38% | 0.375 | S | S | * | . | G | 310 helix | trans | -85.2 | -10 | 179.5 | -78.1 | -174.8 | 165.8 | 0 | 0 | 113.4 | S3198 N3199 F3200 T3204 | S3198-E3202 PolarHBondContact OG-OE2 2.75Å; N3199-E3202 PolarHBondContact O-N 2.92Å; F3200-E3202 VanDerWaalsContact C-N 3.3Å; F3200-E3202 PolarHBondContact O-N 3.1Å; E3202-T3204 PolarHBondContact O-N 3.18Å |
| 3203 | I | 44.9 | Very low | 62.8 | Low | 23 Ų | 23 | 71.5 Ų | 71.5 | 12% | 0.118 | 38% | 0.383 | C | S | . | . | trans | -105.5 | 45.9 | -169.7 | -33.2 | 178.1 | 0 | 0 | 0 | 111 | F3200 S3205 C3206 | F3200-I3203 PolarHBondContact O-N 2.92Å; I3203-S3205 PolarHBondContact O-N 2.93Å; I3203-S3205 VanDerWaalsContact O-N 3.13Å; I3203-C3206 HydrophobicContact CB-CB 4.47Å; I3203-C3206 HydrophobicContact CG2-CB 3.41Å; I3203-C3206 VanDerWaalsContact CG2-CB 3.41Å; I3203-C3206 WeakPolarHBondContact CG2-SG 3.33Å; I3203-C3206 WeakPolarHBondContact O-CA 3.06Å; I3203-C3206 PolarHBondContact O-N 3.16Å | ||
| 3204 | T | 47.9 | Very low | 63.7 | Low | 99 Ų | 99 | 75.6 Ų | 75.6 | 61% | 0.607 | 40% | 0.404 | S | S | * | . | G | 310 helix | trans | -59.8 | -21.7 | 175 | 51.8 | 0 | 0 | 0 | 0 | 113 | E3202 C3206 | E3202-T3204 PolarHBondContact O-N 3.18Å; T3204-C3206 PolarHBondContact O-N 2.87Å |
| 3205 | S | 51.1 | Low | 64.4 | Low | 83 Ų | 83 | 71.7 Ų | 71.7 | 58% | 0.58 | 39% | 0.386 | S | S | * | . | G | 310 helix | trans | -73.3 | -6.8 | 171.2 | 61.7 | 0 | 0 | 0 | 0 | 113.8 | Y3189 I3203 | Y3189-S3205 WeakPolarHBondContact CE2-O 3.38Å; Y3189-S3205 PolarHBondContact OH-O 3.05Å; I3203-S3205 PolarHBondContact O-N 2.93Å; I3203-S3205 VanDerWaalsContact O-N 3.13Å |
| 3206 | C | 59.2 | Low | 65.6 | Low | 9 Ų | 9 | 67.4 Ų | 67.4 | 6% | 0.061 | 37% | 0.373 | C | S | . | . | G | 310 helix | trans | -77.4 | -9.7 | -177.6 | -19.3 | 0 | 0 | 0 | 0 | 122 | Y3189 T3193 I3203 T3204 | Y3189-C3206 HydrophobicContact CD1-CB 4.18Å; Y3189-C3206 HydrophobicContact CE1-CB 3.27Å; Y3189-C3206 VanDerWaalsContact CE1-O 3.26Å; Y3189-C3206 WeakPolarHBondContact CE1-O 3.28Å; Y3189-C3206 HydrophobicContact CE2-CB 3.93Å; Y3189-C3206 WeakPolarHBondContact CE2-SG 3.44Å; Y3189-C3206 WeakPolarHBondContact OH-CA 3.35Å; Y3189-C3206 WeakPolarHBondContact OH-CB 3.43Å; Y3189-C3206 PolarHBondContact OH-N 3.43Å; Y3189-C3206 PolarHBondContact OH-O 2.69Å; T3193-C3206 HydrophobicContact CG2-CB 3.46Å; T3193-C3206 VanDerWaalsContact CG2-CB 3.46Å; T3193-C3206 VanDerWaalsContact CG2-SG 3.6Å; I3203-C3206 HydrophobicContact CB-CB 4.47Å; I3203-C3206 HydrophobicContact CG2-CB 3.41Å; I3203-C3206 VanDerWaalsContact CG2-CB 3.41Å; I3203-C3206 WeakPolarHBondContact CG2-SG 3.33Å; I3203-C3206 WeakPolarHBondContact O-CA 3.06Å; I3203-C3206 PolarHBondContact O-N 3.16Å; T3204-C3206 PolarHBondContact O-N 2.87Å |
| 3207 | E | 73.2 | Confident | 67.2 | Low | 85 Ų | 85 | 64.9 Ų | 64.9 | 40% | 0.397 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 116.3 | -162.3 | -64.2 | -179.5 | 179.4 | 0 | 0 | 115 | F3143 Y3189 V3217 | F3143-E3207 WeakPolarHBondContact CD2-O 3.26Å; Y3189-E3207 PolarHBondContact OH-N 3.32Å; E3207-V3217 HydrophobicContact CB-CB 4.05Å; E3207-V3217 HydrophobicContact CB-CG2 4.07Å; E3207-V3217 HydrophobicContact CG-CG2 4.04Å |
| 3208 | F | 86.5 | Confident | 68.9 | Low | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 130.4 | 171.1 | -166.9 | -88.8 | 0 | 0 | 0 | 110.4 | F3143 L3186 V3217 G3218 L3220 V3240 V3242 I3295 H3367 | F3143-F3208 HydrophobicContact CD2-CD2 4.19Å; F3143-F3208 HydrophobicContact CE1-CD2 4.42Å; F3143-F3208 HydrophobicContact CE2-CB 4.42Å; F3143-F3208 AromaticContact CE2-CD2 3.87Å; F3143-F3208 HydrophobicContact CE2-CD2 3.87Å; F3143-F3208 HydrophobicContact CZ-CD2 4.04Å; L3186-F3208 HydrophobicContact CD2-CD2 4.22Å; L3186-F3208 HydrophobicContact CD2-CE2 3.86Å; F3208-V3217 CarbonylContact O-C 3.57Å; F3208-V3217 WeakPolarHBondContact O-CA 3.44Å; F3208-G3218 PolarHBondContact N-O 3.49Å; F3208-G3218 PolarHBondContact O-N 2.92Å; F3208-L3220 HydrophobicContact CB-CB 4.4Å; F3208-L3220 HydrophobicContact CD1-CD1 4.23Å; F3208-L3220 HydrophobicContact CD2-CD1 4.4Å; F3208-L3220 HydrophobicContact CG-CD1 4.12Å; F3208-V3240 HydrophobicContact CE1-CG2 3.91Å; F3208-V3240 HydrophobicContact CZ-CG2 4.27Å; F3208-V3242 HydrophobicContact CB-CG2 4.49Å; F3208-V3242 HydrophobicContact CD1-CG2 3.69Å; F3208-V3242 HydrophobicContact CE1-CG2 4.42Å; F3208-V3242 HydrophobicContact CG-CG2 4.46Å; F3208-I3295 HydrophobicContact CZ-CD1 3.84Å; F3208-H3367 AromaticContact CE2-CE1 3.93Å; F3208-H3367 AromaticContact CZ-CE1 3.75Å |
| 3209 | P | 88 | Confident | 70.7 | Confident | 11 Ų | 11 | 56.7 Ų | 56.7 | 7% | 0.071 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 137 | -178.4 | 31.3 | -36.8 | 0 | 0 | 0 | 110.9 | T3141 G3211 V3217 H3340 H3367 P3369 | T3141-P3209 HydrophobicContact CG2-CB 4.43Å; T3141-P3209 HydrophobicContact CG2-CG 3.87Å; P3209-G3211 VanDerWaalsContact C-N 3.34Å; P3209-V3217 HydrophobicContact CB-CG1 4.34Å; P3209-H3340 PolarHBondContact O-CE1 2.99Å; P3209-H3340 VanDerWaalsContact O-CE1 3.32Å; P3209-H3367 WeakPolarHBondContact CG-CE1 3.31Å; P3209-P3369 HydrophobicContact CB-CB 4.14Å; P3209-P3369 HydrophobicContact CG-CB 4.11Å; P3209-P3369 HydrophobicContact CG-CG 4.49Å |
| 3210 | T | 87.9 | Confident | 72.5 | Confident | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 29% | 0.288 | C | S | . | . | trans | -78.4 | -21.2 | 173.8 | 60.3 | 0 | 0 | 0 | 0 | 112.9 | H3212 L3215 G3216 V3242 V3244 V3290 W3337 | T3210-H3212 PolarHBondContact O-N 3.25Å; T3210-H3212 PolarHBondContact OG1-N 2.81Å; T3210-L3215 HydrophobicContact CG2-CB 4.27Å; T3210-G3216 WeakPolarHBondContact CB-O 3.49Å; T3210-G3216 PolarHBondContact N-O 3.06Å; T3210-G3216 PolarHBondContact OG1-O 3.36Å; T3210-V3242 HydrophobicContact CG2-CB 4.25Å; T3210-V3242 HydrophobicContact CG2-CG1 3.91Å; T3210-V3244 HydrophobicContact CG2-CG2 3.63Å; T3210-V3290 HydrophobicContact CG2-CB 4.34Å; T3210-V3290 HydrophobicContact CG2-CG1 4.26Å; T3210-V3290 HydrophobicContact CG2-CG2 4.37Å; T3210-W3337 VanDerWaalsContact O-CZ3 3.23Å; T3210-W3337 WeakPolarHBondContact O-CZ3 3.03Å | ||
| 3211 | G | 84.4 | Confident | 74.4 | Confident | 16 Ų | 16 | 49.9 Ų | 49.9 | 17% | 0.165 | 29% | 0.287 | C | S | . | . | trans | 80.1 | -21.6 | -169.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | P3209 | P3209-G3211 VanDerWaalsContact C-N 3.34Š| ||
| 3212 | H | 88.3 | Confident | 76.4 | Confident | 13 Ų | 13 | 48 Ų | 48 | 6% | 0.06 | 27% | 0.269 | C | S | . | . | trans | -72.5 | 134.6 | -178.8 | -172.1 | -96.8 | 0 | 0 | 0 | 111.7 | T3210 L3214 L3215 G3216 L3258 E3261 W3337 | T3210-H3212 PolarHBondContact O-N 3.25Å; T3210-H3212 PolarHBondContact OG1-N 2.81Å; H3212-L3214 PolarHBondContact ND1-N 3.07Å; H3212-L3214 VanDerWaalsContact ND1-N 3.13Å; H3212-L3214 PolarHBondContact O-N 3.48Å; H3212-L3214 VanDerWaalsContact O-N 3.08Å; H3212-L3215 HydrophobicContact CB-CB 4.02Å; H3212-L3215 HydrophobicContact CB-CD1 3.96Å; H3212-L3215 HydrophobicContact CB-CG 4.28Å; H3212-L3215 PolarHBondContact ND1-N 3.35Å; H3212-L3215 PolarHBondContact O-N 2.85Å; H3212-G3216 PolarHBondContact O-N 3.47Å; H3212-L3258 WeakPolarHBondContact CE1-CD2 3.47Å; H3212-E3261 IonicContact NE2-OE1 3.66Å; H3212-W3337 HydrophobicContact CB-CD2 3.82Å; H3212-W3337 HydrophobicContact CB-CE3 3.6Å; H3212-W3337 HydrophobicContact CB-CH2 3.97Å; H3212-W3337 HydrophobicContact CB-CZ2 4.18Å; H3212-W3337 HydrophobicContact CB-CZ3 3.68Å; H3212-W3337 AromaticContact CD2-CD2 3.84Å; H3212-W3337 AromaticContact CD2-CE2 3.38Å; H3212-W3337 AromaticContact CD2-CZ2 3.58Å; H3212-W3337 AromaticContact CD2-NE1 3.52Å | ||
| 3213 | P | 82.1 | Confident | 78.6 | Confident | 107 Ų | 107 | 41.3 Ų | 41.3 | 70% | 0.695 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | -22.4 | -175.7 | 22.6 | -34.7 | 0 | 0 | 0 | 114.8 | ||
| 3214 | L | 83.7 | Confident | 80.8 | Confident | 87 Ų | 87 | 43.3 Ų | 43.3 | 46% | 0.455 | 25% | 0.25 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -105.9 | -20.6 | -178.9 | -55.1 | 177.5 | 0 | 0 | 0 | 115 | H3212 L3254 N3257 | H3212-L3214 PolarHBondContact ND1-N 3.07Å; H3212-L3214 VanDerWaalsContact ND1-N 3.13Å; H3212-L3214 PolarHBondContact O-N 3.48Å; H3212-L3214 VanDerWaalsContact O-N 3.08Å; L3214-L3254 HydrophobicContact CB-CD1 3.98Å; L3214-N3257 HydrophobicContact CD1-CB 3.55Å |
| 3215 | L | 84.4 | Confident | 82.9 | Confident | 9 Ų | 9 | 39.2 Ų | 39.2 | 5% | 0.047 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95 | -18.9 | -172.6 | -68.6 | 164 | 0 | 0 | 0 | 112.5 | T3210 H3212 V3217 V3244 L3254 L3258 V3267 L3288 V3290 | T3210-L3215 HydrophobicContact CG2-CB 4.27Å; H3212-L3215 HydrophobicContact CB-CB 4.02Å; H3212-L3215 HydrophobicContact CB-CD1 3.96Å; H3212-L3215 HydrophobicContact CB-CG 4.28Å; H3212-L3215 PolarHBondContact ND1-N 3.35Å; H3212-L3215 PolarHBondContact O-N 2.85Å; L3215-V3217 PolarHBondContact O-N 2.75Å; L3215-V3244 HydrophobicContact CB-CG2 4.45Å; L3215-V3244 WeakPolarHBondContact O-CG1 3.2Å; L3215-L3254 HydrophobicContact CD2-CD1 4.43Å; L3215-L3254 HydrophobicContact CD2-CD2 4.25Å; L3215-L3258 HydrophobicContact CD1-CD1 4.3Å; L3215-L3258 HydrophobicContact CD1-CD2 4.1Å; L3215-L3258 HydrophobicContact CD2-CD1 3.66Å; L3215-L3258 HydrophobicContact CG-CD1 4.17Å; L3215-L3258 HydrophobicContact CG-CD2 4.29Å; L3215-V3267 HydrophobicContact CD1-CG2 3.91Å; L3215-L3288 HydrophobicContact CD2-CD1 3.73Å; L3215-V3290 HydrophobicContact CD1-CG1 4.07Å; L3215-V3290 HydrophobicContact CD1-CG2 3.8Å |
| 3216 | G | 83 | Confident | 84.5 | Confident | 40 Ų | 40 | 36 Ų | 36 | 41% | 0.412 | 20% | 0.201 | S | C | . | . | trans | 63.7 | -128.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | T3210 H3212 | T3210-G3216 WeakPolarHBondContact CB-O 3.49Å; T3210-G3216 PolarHBondContact N-O 3.06Å; T3210-G3216 PolarHBondContact OG1-O 3.36Å; H3212-G3216 PolarHBondContact O-N 3.47Å | ||
| 3217 | V | 84.4 | Confident | 85.3 | Confident | 63 Ų | 63 | 35.7 Ų | 35.7 | 38% | 0.382 | 20% | 0.198 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 155.4 | -179 | -62.7 | 0 | 0 | 0 | 0 | 111 | E3207 F3208 P3209 L3215 | E3207-V3217 HydrophobicContact CB-CB 4.05Å; E3207-V3217 HydrophobicContact CB-CG2 4.07Å; E3207-V3217 HydrophobicContact CG-CG2 4.04Å; F3208-V3217 CarbonylContact O-C 3.57Å; F3208-V3217 WeakPolarHBondContact O-CA 3.44Å; P3209-V3217 HydrophobicContact CB-CG1 4.34Å; L3215-V3217 PolarHBondContact O-N 2.75Å |
| 3218 | G | 84.1 | Confident | 85.6 | Confident | 4 Ų | 4 | 33.7 Ų | 33.7 | 4% | 0.041 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.1 | -176.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | F3208 V3242 Q3243 | F3208-G3218 PolarHBondContact N-O 3.49Å; F3208-G3218 PolarHBondContact O-N 2.92Å; G3218-V3242 VanDerWaalsContact CA-CG1 3.49Å; G3218-Q3243 CarbonylContact C-O 3.53Å; G3218-Q3243 WeakPolarHBondContact CA-O 3.17Å |
| 3219 | R | 83.5 | Confident | 84.8 | Confident | 55 Ų | 55 | 40.6 Ų | 40.6 | 21% | 0.208 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 127.5 | 179.9 | 173.6 | -175.6 | 170 | 169.3 | 2.8 | 111.4 | T3193 F3200 I3221 V3242 Q3243 | T3193-R3219 VanDerWaalsContact CB-CZ 3.48Å; T3193-R3219 VanDerWaalsContact CB-NE 3.33Å; T3193-R3219 VanDerWaalsContact CB-NH2 3.26Å; T3193-R3219 HydrophobicContact CG2-CG 4.2Å; T3193-R3219 PolarHBondContact O-NH2 3.43Å; T3193-R3219 PolarHBondContact OG1-NE 2.88Å; T3193-R3219 VanDerWaalsContact OG1-NE 3.16Å; T3193-R3219 PolarHBondContact OG1-NH2 3.27Å; F3200-R3219 HydrophobicContact CE1-CB 4.15Å; F3200-R3219 HydrophobicContact CE2-CB 4.14Å; F3200-R3219 HydrophobicContact CZ-CB 3.45Å; F3200-R3219 VanDerWaalsContact CZ-CB 3.45Å; F3200-R3219 HydrophobicContact CZ-CG 4.49Å; R3219-I3221 HydrophobicContact CG-CG2 4.39Å; R3219-I3221 PolarHBondContact O-N 2.87Å; R3219-V3242 CarbonylContact O-C 3.52Å; R3219-V3242 VanDerWaalsContact O-CA 3.32Å; R3219-V3242 WeakPolarHBondContact O-CA 3.42Å; R3219-Q3243 PolarHBondContact N-O 3.16Å; R3219-Q3243 PolarHBondContact O-N 3.09Å |
| 3220 | L | 86.9 | Confident | 83.8 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.4 | 127.1 | 170.8 | -162.5 | 71.6 | 0 | 0 | 0 | 110.9 | L3186 Y3189 I3190 F3208 V3240 V3242 | L3186-L3220 HydrophobicContact CB-CD2 3.84Å; L3186-L3220 HydrophobicContact CD2-CD2 3.52Å; L3186-L3220 HydrophobicContact CG-CD2 4.21Å; Y3189-L3220 HydrophobicContact CD1-CB 4.21Å; Y3189-L3220 HydrophobicContact CE1-CB 4.43Å; I3190-L3220 HydrophobicContact CD1-CD2 4Å; I3190-L3220 HydrophobicContact CD1-CG 4.14Å; I3190-L3220 HydrophobicContact CG1-CB 4.32Å; I3190-L3220 HydrophobicContact CG1-CD2 3.95Å; I3190-L3220 HydrophobicContact CG1-CG 4.01Å; F3208-L3220 HydrophobicContact CB-CB 4.4Å; F3208-L3220 HydrophobicContact CD1-CD1 4.23Å; F3208-L3220 HydrophobicContact CD2-CD1 4.4Å; F3208-L3220 HydrophobicContact CG-CD1 4.12Å; L3220-V3240 HydrophobicContact CD1-CB 3.62Å; L3220-V3240 HydrophobicContact CD1-CG1 4Å; L3220-V3240 HydrophobicContact CD1-CG2 4.05Å; L3220-V3242 HydrophobicContact CD1-CG2 4.11Å |
| 3221 | I | 85.7 | Confident | 83.1 | Confident | 48 Ų | 48 | 46.8 Ų | 46.8 | 25% | 0.246 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | -26.2 | -179 | 54 | 153.4 | 0 | 0 | 0 | 114 | R3219 D3241 Q3243 | R3219-I3221 HydrophobicContact CG-CG2 4.39Å; R3219-I3221 PolarHBondContact O-N 2.87Å; I3221-D3241 HydrophobicContact CD1-CB 4Å; I3221-D3241 HydrophobicContact CG1-CB 3.88Å; I3221-D3241 WeakPolarHBondContact CG1-O 3.46Å; I3221-D3241 PolarHBondContact N-O 3.22Å; I3221-Q3243 HydrophobicContact CD1-CG 3.83Å; I3221-Q3243 HydrophobicContact CG1-CG 4.16Å; I3221-Q3243 HydrophobicContact CG2-CB 4.12Å; I3221-Q3243 HydrophobicContact CG2-CG 3.75Å |
| 3222 | R | 88.7 | Confident | 82.6 | Confident | 104 Ų | 104 | 47.7 Ų | 47.7 | 39% | 0.392 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 138.8 | -179.7 | -170.5 | 174.5 | 69.3 | 119.5 | 6.6 | 109.1 | V3240 D3241 | R3222-V3240 VanDerWaalsContact O-CA 3.25Å; R3222-V3240 WeakPolarHBondContact O-CA 3.37Å; R3222-V3240 WeakPolarHBondContact O-CB 3.26Å; R3222-D3241 HydrophobicContact CB-CB 4.09Å; R3222-D3241 IonicContact CZ-OD2 2.85Å; R3222-D3241 VanDerWaalsContact CZ-OD2 3.26Å; R3222-D3241 PolarHBondContact N-O 3.46Å; R3222-D3241 IonicContact NE-OD2 2.68Å; R3222-D3241 PolarHBondContact NE-OD2 2.84Å; R3222-D3241 IonicContact NH2-OD1 3.16Å; R3222-D3241 PolarHBondContact NH2-OD1 3.31Å; R3222-D3241 IonicContact NH2-OD2 3.33Å; R3222-D3241 PolarHBondContact NH2-OD2 3.46Å; R3222-D3241 PolarHBondContact O-N 3.38Å |
| 3223 | C | 91.8 | Very high | 82 | Confident | 12 Ų | 12 | 50.5 Ų | 50.5 | 8% | 0.081 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 124.6 | 170.4 | -178.5 | 0 | 0 | 0 | 0 | 108.2 | L3186 I3190 E3239 V3240 | L3186-C3223 HydrophobicContact CB-CB 4.18Å; I3190-C3223 HydrophobicContact CD1-CB 3.66Å; C3223-E3239 CarbonylContact C-O 3.54Å; C3223-E3239 WeakPolarHBondContact CA-O 3.24Å; C3223-V3240 HydrophobicContact CB-CG1 4.17Å |
| 3224 | N | 91.2 | Very high | 82 | Confident | 64 Ų | 64 | 50.7 Ų | 50.7 | 34% | 0.342 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 125.5 | 176.9 | -174.4 | 37.2 | 0 | 0 | 0 | 109.3 | L3238 E3239 | N3224-L3238 CarbonylContact O-C 3.58Å; N3224-L3238 VanDerWaalsContact O-CA 3.26Å; N3224-L3238 WeakPolarHBondContact O-CA 3.45Å; N3224-E3239 HydrophobicContact CB-CB 4.38Å; N3224-E3239 PolarHBondContact N-O 3.44Å; N3224-E3239 PolarHBondContact O-N 3.42Å |
| 3225 | W | 91.9 | Very high | 82.2 | Confident | 13 Ų | 13 | 47.7 Ų | 47.7 | 5% | 0.049 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 105.3 | 173.9 | 178.3 | 24.2 | 0 | 0 | 0 | 109.1 | R3176 E3179 L3180 Y3183 N3227 S3228 | R3176-W3225 HydrophobicContact CG-CZ2 4.21Å; E3179-W3225 HydrophobicContact CB-CZ2 4.02Å; E3179-W3225 PolarHBondContact OE2-NE1 3.33Å; L3180-W3225 HydrophobicContact CB-CH2 3.99Å; L3180-W3225 HydrophobicContact CB-CZ3 4.36Å; L3180-W3225 HydrophobicContact CD1-CE3 4.39Å; L3180-W3225 HydrophobicContact CD1-CH2 4Å; L3180-W3225 HydrophobicContact CD1-CZ3 3.57Å; Y3183-W3225 HydrophobicContact CD1-CB 4.45Å; Y3183-W3225 AromaticContact CD1-CE3 4Å; Y3183-W3225 HydrophobicContact CD1-CE3 4Å; Y3183-W3225 HydrophobicContact CD2-CB 3.56Å; Y3183-W3225 HydrophobicContact CE1-CE3 4.45Å; Y3183-W3225 HydrophobicContact CE2-CB 3.81Å; Y3183-W3225 HydrophobicContact CG-CB 3.89Å; Y3183-W3225 HydrophobicContact CG-CE3 4.27Å; Y3183-W3225 HydrophobicContact CG-CG 4.46Å; W3225-N3227 VanDerWaalsContact C-N 3.3Å; W3225-N3227 PolarHBondContact O-N 2.68Å; W3225-S3228 VanDerWaalsContact CD2-CA 3.44Å; W3225-S3228 WeakPolarHBondContact O-CB 3.19Å; W3225-S3228 PolarHBondContact O-N 3.25Å; W3225-S3228 PolarHBondContact O-OG 3.33Å |
| 3226 | C | 85.8 | Confident | 82.6 | Confident | 17 Ų | 17 | 48.4 Ų | 48.4 | 12% | 0.115 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -36.6 | -173.1 | -60 | 0 | 0 | 0 | 0 | 111.4 | S3228 S3232 D3237 | C3226-S3228 PolarHBondContact O-N 3.03Å; C3226-S3232 WeakPolarHBondContact CB-OG 3.49Å; C3226-S3232 WeakPolarHBondContact O-CB 3.29Å; C3226-D3237 WeakPolarHBondContact CB-O 3.29Å; C3226-D3237 PolarHBondContact N-O 3.48Å |
| 3227 | N | 76.1 | Confident | 83 | Confident | 1 Ų | 1 | 47 Ų | 47 | 1% | 0.005 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.2 | 16.1 | -175.5 | -66.7 | -19.7 | 0 | 0 | 0 | 114.5 | R3176 W3225 V3230 E3231 S3232 D3237 | R3176-N3227 PolarHBondContact NH1-O 3.3Å; W3225-N3227 VanDerWaalsContact C-N 3.3Å; W3225-N3227 PolarHBondContact O-N 2.68Å; N3227-V3230 CarbonylContact C-O 3.4Å; N3227-V3230 VanDerWaalsContact CA-O 3.3Å; N3227-V3230 WeakPolarHBondContact CA-O 3.26Å; N3227-E3231 PolarHBondContact ND2-OE1 2.96Å; N3227-S3232 WeakPolarHBondContact OD1-CA 3.31Å; N3227-S3232 WeakPolarHBondContact OD1-CB 3.41Å; N3227-S3232 PolarHBondContact OD1-N 3.37Å; N3227-S3232 PolarHBondContact OD1-OG 3.47Å; N3227-D3237 PolarHBondContact ND2-OD1 3.33Å |
| 3228 | S | 78.6 | Confident | 83.5 | Confident | 43 Ų | 43 | 44 Ų | 44 | 30% | 0.301 | 22% | 0.224 | S | C | . | . | S | Bend | trans | -62.2 | -49.3 | -167.8 | 52.8 | 0 | 0 | 0 | 0 | 114.4 | R3176 W3225 C3226 | R3176-S3228 PolarHBondContact NH2-O 3.19Å; W3225-S3228 VanDerWaalsContact CD2-CA 3.44Å; W3225-S3228 WeakPolarHBondContact O-CB 3.19Å; W3225-S3228 PolarHBondContact O-N 3.25Å; W3225-S3228 PolarHBondContact O-OG 3.33Å; C3226-S3228 PolarHBondContact O-N 3.03Å |
| 3229 | D | 71.3 | Confident | 84 | Confident | 146 Ų | 146 | 45.1 Ų | 45.1 | 78% | 0.781 | 23% | 0.228 | S | C | * | . | S | Bend | trans | -97 | -44.1 | 178.8 | -66 | -35.9 | 0 | 0 | 0 | 111.6 | ||
| 3230 | V | 66.3 | Low | 84.5 | Confident | 112 Ų | 112 | 42.5 Ų | 42.5 | 68% | 0.679 | 22% | 0.218 | S | C | * | . | S | Bend | trans | -139.7 | 153.7 | -176.8 | 178.3 | 0 | 0 | 0 | 0 | 108.6 | N3227 S3232 | N3227-V3230 CarbonylContact C-O 3.4Å; N3227-V3230 VanDerWaalsContact CA-O 3.3Å; N3227-V3230 WeakPolarHBondContact CA-O 3.26Å; V3230-S3232 PolarHBondContact O-N 3Å |
| 3231 | E | 71.9 | Confident | 84.7 | Confident | 29 Ų | 29 | 43 Ų | 43 | 14% | 0.136 | 22% | 0.22 | C | C | . | . | trans | -56.8 | 117.3 | 171.3 | -168.7 | 63.2 | -129.3 | 0 | 0 | 109.9 | R3105 N3227 M3233 | R3105-E3231 IonicContact CZ-OE2 3.04Å; R3105-E3231 IonicContact NE-OE2 3.14Å; R3105-E3231 PolarHBondContact NE-OE2 3.36Å; R3105-E3231 IonicContact NH2-OE2 3.84Å; R3105-E3231 PolarHBondContact NH2-OE2 3.43Å; N3227-E3231 PolarHBondContact ND2-OE1 2.96Å; E3231-M3233 HydrophobicContact CB-CE 4.32Å; E3231-M3233 HydrophobicContact CB-SD 4.48Å; E3231-M3233 HydrophobicContact CG-CE 4.14Å; E3231-M3233 HydrophobicContact CG-SD 3.75Å; E3231-M3233 PolarHBondContact O-N 3.43Å | ||
| 3232 | S | 74.9 | Confident | 85 | Confident | 34 Ų | 34 | 40.7 Ų | 40.7 | 24% | 0.238 | 21% | 0.209 | C | C | . | . | trans | -77.5 | -9 | -177.7 | 70.1 | 0 | 0 | 0 | 0 | 113.3 | C3226 N3227 V3230 R3234 | C3226-S3232 WeakPolarHBondContact CB-OG 3.49Å; C3226-S3232 WeakPolarHBondContact O-CB 3.29Å; N3227-S3232 WeakPolarHBondContact OD1-CA 3.31Å; N3227-S3232 WeakPolarHBondContact OD1-CB 3.41Å; N3227-S3232 PolarHBondContact OD1-N 3.37Å; N3227-S3232 PolarHBondContact OD1-OG 3.47Å; V3230-S3232 PolarHBondContact O-N 3Å; S3232-R3234 PolarHBondContact O-N 3.22Å; S3232-R3234 WeakPolarHBondContact OG-CB 3.42Å; S3232-R3234 PolarHBondContact OG-N 3.1Å | ||
| 3233 | M | 74.7 | Confident | 84.9 | Confident | 72 Ų | 72 | 37.4 Ų | 37.4 | 36% | 0.355 | 20% | 0.198 | S | C | . | . | trans | 57.3 | 15 | -173.4 | -51.5 | -63.2 | -177.3 | 0 | 0 | 113.5 | T3101 S3103 E3231 | T3101-M3233 WeakPolarHBondContact CB-O 3.47Å; T3101-M3233 WeakPolarHBondContact CG2-O 3.34Å; S3103-M3233 WeakPolarHBondContact CA-SD 3.32Å; S3103-M3233 VanDerWaalsContact CB-SD 3.52Å; E3231-M3233 HydrophobicContact CB-CE 4.32Å; E3231-M3233 HydrophobicContact CB-SD 4.48Å; E3231-M3233 HydrophobicContact CG-CE 4.14Å; E3231-M3233 HydrophobicContact CG-SD 3.75Å; E3231-M3233 PolarHBondContact O-N 3.43Å | ||
| 3234 | R | 83 | Confident | 84.8 | Confident | 112 Ų | 112 | 37.2 Ų | 37.2 | 42% | 0.423 | 20% | 0.196 | S | C | . | . | trans | -80.9 | 143.6 | 172.8 | -64.4 | -168.1 | 170.7 | 117.8 | 5.3 | 108.7 | S3232 Y3236 | S3232-R3234 PolarHBondContact O-N 3.22Å; S3232-R3234 WeakPolarHBondContact OG-CB 3.42Å; S3232-R3234 PolarHBondContact OG-N 3.1Å; R3234-Y3236 HydrophobicContact CB-CD1 4.32Å; R3234-Y3236 HydrophobicContact CB-CD2 4.21Å; R3234-Y3236 HydrophobicContact CB-CE1 4.14Å; R3234-Y3236 HydrophobicContact CB-CE2 4.01Å; R3234-Y3236 HydrophobicContact CB-CG 4.37Å; R3234-Y3236 WeakPolarHBondContact CD-OH 3.35Å; R3234-Y3236 HydrophobicContact CG-CE2 4.46Å; R3234-Y3236 PolarHBondContact O-N 3.45Å | ||
| 3235 | P | 87.8 | Confident | 84.3 | Confident | 24 Ų | 24 | 37.6 Ų | 37.6 | 16% | 0.156 | 20% | 0.196 | C | C | . | . | S | Bend | trans | -77.8 | 41.9 | 177.8 | 35.8 | -37.7 | 0 | 0 | 0 | 110.5 | P3327 E3328 C3331 Y3339 | P3235-P3327 HydrophobicContact CB-CB 3.9Å; P3235-E3328 HydrophobicContact CB-CG 4.3Å; P3235-C3331 HydrophobicContact CB-CB 3.96Å; P3235-C3331 HydrophobicContact CG-CB 3.53Å; P3235-Y3339 VanDerWaalsContact O-CE2 3.29Å; P3235-Y3339 WeakPolarHBondContact O-CE2 3.38Å; P3235-Y3339 PolarHBondContact O-OH 2.94Å |
| 3236 | Y | 92 | Very high | 83.8 | Confident | 24 Ų | 24 | 37.5 Ų | 37.5 | 9% | 0.094 | 20% | 0.197 | C | C | . | . | S | Bend | trans | -172.3 | 151.5 | 179.1 | 52.8 | -98.4 | 0 | 0 | 0 | 109 | R3234 E3239 F3294 E3296 | R3234-Y3236 HydrophobicContact CB-CD1 4.32Å; R3234-Y3236 HydrophobicContact CB-CD2 4.21Å; R3234-Y3236 HydrophobicContact CB-CE1 4.14Å; R3234-Y3236 HydrophobicContact CB-CE2 4.01Å; R3234-Y3236 HydrophobicContact CB-CG 4.37Å; R3234-Y3236 WeakPolarHBondContact CD-OH 3.35Å; R3234-Y3236 HydrophobicContact CG-CE2 4.46Å; R3234-Y3236 PolarHBondContact O-N 3.45Å; Y3236-E3239 HydrophobicContact CD2-CG 4.28Å; Y3236-E3239 HydrophobicContact CE2-CG 3.62Å; Y3236-E3239 WeakPolarHBondContact CE2-OE1 3.35Å; Y3236-E3239 PolarHBondContact OH-OE1 2.91Å; Y3236-F3294 HydrophobicContact CD1-CB 4Å; Y3236-F3294 AromaticContact CD1-CD1 3.93Å; Y3236-F3294 HydrophobicContact CD1-CD1 3.93Å; Y3236-F3294 HydrophobicContact CD1-CG 4.13Å; Y3236-F3294 HydrophobicContact CD2-CB 4.32Å; Y3236-F3294 AromaticContact CD2-CD1 3.95Å; Y3236-F3294 HydrophobicContact CD2-CD1 3.95Å; Y3236-F3294 HydrophobicContact CE1-CB 4.43Å; Y3236-F3294 AromaticContact CE1-CD1 3.52Å; Y3236-F3294 HydrophobicContact CE1-CD1 3.52Å; Y3236-F3294 AromaticContact CE1-CE1 3.94Å; Y3236-F3294 HydrophobicContact CE1-CE1 3.94Å; Y3236-F3294 HydrophobicContact CE1-CG 4.06Å; Y3236-F3294 AromaticContact CE2-CD1 3.55Å; Y3236-F3294 HydrophobicContact CE2-CD1 3.55Å; Y3236-F3294 HydrophobicContact CE2-CE1 4.11Å; Y3236-F3294 HydrophobicContact CG-CB 3.92Å; Y3236-F3294 HydrophobicContact CG-CD1 4.12Å; Y3236-F3294 HydrophobicContact CG-CG 4.37Å; Y3236-F3294 AromaticContact CZ-CD1 3.27Å; Y3236-F3294 AromaticContact CZ-CE1 3.53Å; Y3236-F3294 VanDerWaalsContact OH-CE1 3.28Å; Y3236-F3294 WeakPolarHBondContact OH-CE1 3.23Å; Y3236-E3296 VanDerWaalsContact CA-OE2 3.28Å; Y3236-E3296 WeakPolarHBondContact CA-OE2 3.42Å |
| 3237 | D | 92.2 | Very high | 83.5 | Confident | 11 Ų | 11 | 40.6 Ų | 40.6 | 6% | 0.059 | 21% | 0.213 | C | C | . | . | S | Bend | trans | -95 | -37 | -175.5 | -61.7 | -58.6 | 0 | 0 | 0 | 113.5 | E3179 C3226 N3227 I3295 V3297 | E3179-D3237 HydrophobicContact CG-CB 4.13Å; C3226-D3237 WeakPolarHBondContact CB-O 3.29Å; C3226-D3237 PolarHBondContact N-O 3.48Å; N3227-D3237 PolarHBondContact ND2-OD1 3.33Å; D3237-I3295 PolarHBondContact N-O 3.37Å; D3237-V3297 HydrophobicContact CB-CG2 4.36Å; D3237-V3297 WeakPolarHBondContact OD2-CB 3.4Å; D3237-V3297 PolarHBondContact OD2-N 3.2Å |
| 3238 | L | 94.6 | Very high | 83.5 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 149 | -176.6 | -49.6 | 97.2 | 0 | 0 | 0 | 113.4 | I3182 Y3183 L3186 N3224 I3295 V3297 | I3182-L3238 HydrophobicContact CG2-CD1 4.15Å; I3182-L3238 HydrophobicContact CG2-CD2 4.32Å; Y3183-L3238 HydrophobicContact CD2-CD2 4.03Å; Y3183-L3238 HydrophobicContact CG-CD2 4.5Å; L3186-L3238 HydrophobicContact CD1-CD2 4.13Å; N3224-L3238 CarbonylContact O-C 3.58Å; N3224-L3238 VanDerWaalsContact O-CA 3.26Å; N3224-L3238 WeakPolarHBondContact O-CA 3.45Å; L3238-I3295 HydrophobicContact CB-CB 4.16Å; L3238-I3295 HydrophobicContact CD1-CB 4.37Å; L3238-I3295 HydrophobicContact CD1-CG2 4.21Å; L3238-I3295 PolarHBondContact N-O 2.86Å; L3238-I3295 PolarHBondContact O-N 3.49Å; L3238-V3297 HydrophobicContact CD1-CG2 3.31Å |
| 3239 | E | 94.7 | Very high | 83.4 | Confident | 26 Ų | 26 | 47.3 Ų | 47.3 | 12% | 0.121 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 132.7 | 168.3 | -69 | 178.4 | 176.1 | 0 | 0 | 110 | C3223 N3224 Y3236 P3292 I3293 F3294 | C3223-E3239 CarbonylContact C-O 3.54Å; C3223-E3239 WeakPolarHBondContact CA-O 3.24Å; N3224-E3239 HydrophobicContact CB-CB 4.38Å; N3224-E3239 PolarHBondContact N-O 3.44Å; N3224-E3239 PolarHBondContact O-N 3.42Å; Y3236-E3239 HydrophobicContact CD2-CG 4.28Å; Y3236-E3239 HydrophobicContact CE2-CG 3.62Å; Y3236-E3239 WeakPolarHBondContact CE2-OE1 3.35Å; Y3236-E3239 PolarHBondContact OH-OE1 2.91Å; E3239-P3292 HydrophobicContact CB-CB 4.38Å; E3239-P3292 HydrophobicContact CG-CB 4.5Å; E3239-I3293 WeakPolarHBondContact CA-O 3.41Å; E3239-F3294 HydrophobicContact CG-CD1 4Å; E3239-F3294 HydrophobicContact CG-CE1 4.23Å |
| 3240 | V | 93.5 | Very high | 83.8 | Confident | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 148.3 | 177.8 | -57.5 | 0 | 0 | 0 | 0 | 113 | L3186 F3208 L3220 R3222 C3223 I3293 I3295 | L3186-V3240 HydrophobicContact CD1-CG1 4.35Å; F3208-V3240 HydrophobicContact CE1-CG2 3.91Å; F3208-V3240 HydrophobicContact CZ-CG2 4.27Å; L3220-V3240 HydrophobicContact CD1-CB 3.62Å; L3220-V3240 HydrophobicContact CD1-CG1 4Å; L3220-V3240 HydrophobicContact CD1-CG2 4.05Å; R3222-V3240 VanDerWaalsContact O-CA 3.25Å; R3222-V3240 WeakPolarHBondContact O-CA 3.37Å; R3222-V3240 WeakPolarHBondContact O-CB 3.26Å; C3223-V3240 HydrophobicContact CB-CG1 4.17Å; V3240-I3293 HydrophobicContact CG2-CB 3.72Å; V3240-I3293 HydrophobicContact CG2-CG2 4.12Å; V3240-I3293 PolarHBondContact N-O 2.86Å; V3240-I3293 PolarHBondContact O-N 2.96Å; V3240-I3295 HydrophobicContact CB-CD1 4.4Å; V3240-I3295 HydrophobicContact CG1-CD1 3.63Å; V3240-I3295 HydrophobicContact CG2-CD1 3.82Å; V3240-I3295 HydrophobicContact CG2-CG1 4.37Å |
| 3241 | D | 92.1 | Very high | 84.6 | Confident | 10 Ų | 10 | 41.4 Ų | 41.4 | 5% | 0.053 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 139 | 169.2 | -60.6 | -29.5 | 0 | 0 | 0 | 109.8 | I3221 R3222 V3290 G3291 P3292 | I3221-D3241 HydrophobicContact CD1-CB 4Å; I3221-D3241 HydrophobicContact CG1-CB 3.88Å; I3221-D3241 WeakPolarHBondContact CG1-O 3.46Å; I3221-D3241 PolarHBondContact N-O 3.22Å; R3222-D3241 HydrophobicContact CB-CB 4.09Å; R3222-D3241 IonicContact CZ-OD2 2.85Å; R3222-D3241 VanDerWaalsContact CZ-OD2 3.26Å; R3222-D3241 PolarHBondContact N-O 3.46Å; R3222-D3241 IonicContact NE-OD2 2.68Å; R3222-D3241 PolarHBondContact NE-OD2 2.84Å; R3222-D3241 IonicContact NH2-OD1 3.16Å; R3222-D3241 PolarHBondContact NH2-OD1 3.31Å; R3222-D3241 IonicContact NH2-OD2 3.33Å; R3222-D3241 PolarHBondContact NH2-OD2 3.46Å; R3222-D3241 PolarHBondContact O-N 3.38Å; D3241-V3290 WeakPolarHBondContact CA-O 3.31Å; D3241-G3291 WeakPolarHBondContact OD1-CA 3.45Å; D3241-P3292 WeakPolarHBondContact OD1-CA 3.26Å |
| 3242 | V | 91.1 | Very high | 85 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 139.8 | -176 | -179.3 | 0 | 0 | 0 | 0 | 109.5 | F3208 T3210 G3218 R3219 L3220 V3244 S3289 V3290 I3293 | F3208-V3242 HydrophobicContact CB-CG2 4.49Å; F3208-V3242 HydrophobicContact CD1-CG2 3.69Å; F3208-V3242 HydrophobicContact CE1-CG2 4.42Å; F3208-V3242 HydrophobicContact CG-CG2 4.46Å; T3210-V3242 HydrophobicContact CG2-CB 4.25Å; T3210-V3242 HydrophobicContact CG2-CG1 3.91Å; G3218-V3242 VanDerWaalsContact CA-CG1 3.49Å; R3219-V3242 CarbonylContact O-C 3.52Å; R3219-V3242 VanDerWaalsContact O-CA 3.32Å; R3219-V3242 WeakPolarHBondContact O-CA 3.42Å; L3220-V3242 HydrophobicContact CD1-CG2 4.11Å; V3242-V3244 HydrophobicContact CG1-CG2 4.35Å; V3242-S3289 CarbonylContact O-C 3.54Å; V3242-S3289 WeakPolarHBondContact O-CA 3.5Å; V3242-V3290 PolarHBondContact N-O 3.02Å; V3242-V3290 PolarHBondContact O-N 3.27Å; V3242-I3293 HydrophobicContact CB-CD1 4.48Å; V3242-I3293 HydrophobicContact CG2-CD1 3.83Å |
| 3243 | Q | 88.5 | Confident | 85.4 | Confident | 36 Ų | 36 | 53.4 Ų | 53.4 | 17% | 0.168 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 126.7 | 171.8 | -79.4 | -177.5 | -2.8 | 0 | 0 | 111.2 | G3218 R3219 I3221 L3287 L3288 | G3218-Q3243 CarbonylContact C-O 3.53Å; G3218-Q3243 WeakPolarHBondContact CA-O 3.17Å; R3219-Q3243 PolarHBondContact N-O 3.16Å; R3219-Q3243 PolarHBondContact O-N 3.09Å; I3221-Q3243 HydrophobicContact CD1-CG 3.83Å; I3221-Q3243 HydrophobicContact CG1-CG 4.16Å; I3221-Q3243 HydrophobicContact CG2-CB 4.12Å; I3221-Q3243 HydrophobicContact CG2-CG 3.75Å; Q3243-L3287 HydrophobicContact CB-CD1 4.09Å; Q3243-L3288 CarbonylContact C-O 3.57Å; Q3243-L3288 WeakPolarHBondContact CA-O 3.49Å |
| 3244 | V | 88.1 | Confident | 86 | Confident | 7 Ų | 7 | 51 Ų | 51 | 4% | 0.042 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 126 | -179.7 | -178.1 | 0 | 0 | 0 | 0 | 108.7 | T3210 L3215 V3242 L3288 V3290 | T3210-V3244 HydrophobicContact CG2-CG2 3.63Å; L3215-V3244 HydrophobicContact CB-CG2 4.45Å; L3215-V3244 WeakPolarHBondContact O-CG1 3.2Å; V3242-V3244 HydrophobicContact CG1-CG2 4.35Å; V3244-L3288 PolarHBondContact N-O 3.04Å; V3244-L3288 PolarHBondContact O-N 2.81Å; V3244-V3290 HydrophobicContact CG2-CG2 3.98Å |
| 3245 | E | 81.9 | Confident | 86.1 | Confident | 72 Ų | 72 | 47.5 Ų | 47.5 | 34% | 0.336 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 139.1 | 169.6 | -73.3 | -159.1 | 172.1 | 0 | 0 | 110.8 | F3200 R3271 S3285 G3286 L3287 | F3200-E3245 HydrophobicContact CD1-CG 4.47Å; F3200-E3245 VanDerWaalsContact CD2-CD 3.42Å; F3200-E3245 HydrophobicContact CD2-CG 3.87Å; F3200-E3245 WeakPolarHBondContact CD2-OE1 3.32Å; F3200-E3245 HydrophobicContact CE1-CG 4.41Å; F3200-E3245 HydrophobicContact CE2-CG 3.8Å; F3200-E3245 HydrophobicContact CG-CG 4.2Å; F3200-E3245 HydrophobicContact CZ-CG 4.07Å; E3245-R3271 IonicContact OE1-NH2 3.41Å; E3245-S3285 PolarHBondContact OE1-OG 3.28Å; E3245-S3285 PolarHBondContact OE2-OG 3.45Å; E3245-G3286 CarbonylContact C-O 3.47Å; E3245-G3286 WeakPolarHBondContact CA-O 3.26Å; E3245-L3287 HydrophobicContact CG-CD1 3.64Å |
| 3246 | C | 80.8 | Confident | 85.8 | Confident | 11 Ų | 11 | 48.8 Ų | 48.8 | 7% | 0.074 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 128.2 | -173.9 | -68.2 | 0 | 0 | 0 | 0 | 110.2 | W3251 L3254 G3286 | C3246-W3251 HydrophobicContact CB-CE3 3.85Å; C3246-W3251 HydrophobicContact CB-CZ3 4.09Å; C3246-L3254 HydrophobicContact CB-CD2 4.1Å; C3246-L3254 WeakPolarHBondContact SG-CD2 3.24Å; C3246-G3286 PolarHBondContact N-O 3.32Å; C3246-G3286 PolarHBondContact O-N 3.46Å |
| 3247 | D | 78.9 | Confident | 85.6 | Confident | 83 Ų | 83 | 51.9 Ų | 51.9 | 44% | 0.444 | 27% | 0.271 | S | S | . | . | trans | -59.5 | 141.1 | 175.2 | -57.8 | -37.2 | 0 | 0 | 0 | 111.4 | N3249 K3250 W3251 | D3247-N3249 WeakPolarHBondContact CB-OD1 3.5Å; D3247-N3249 PolarHBondContact O-N 3.47Å; D3247-N3249 VanDerWaalsContact O-N 3.15Å; D3247-K3250 PolarHBondContact O-N 3.22Å; D3247-K3250 VanDerWaalsContact O-N 3.12Å; D3247-K3250 IonicContact OD2-NZ 2.85Å; D3247-K3250 PolarHBondContact OD2-NZ 3.5Å; D3247-W3251 PolarHBondContact O-N 3.29Å | ||
| 3248 | A | 75.7 | Confident | 85.3 | Confident | 52 Ų | 52 | 51.4 Ų | 51.4 | 43% | 0.43 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -56.1 | -33.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | K3250 P3273 | A3248-K3250 VanDerWaalsContact C-N 3.34Å; A3248-K3250 PolarHBondContact O-N 2.77Å; A3248-P3273 HydrophobicContact CB-CB 3.64Å; A3248-P3273 HydrophobicContact CB-CG 4.13Å |
| 3249 | N | 76.8 | Confident | 84.9 | Confident | 133 Ų | 133 | 57.8 Ų | 57.8 | 71% | 0.711 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -72.5 | -22.1 | -178.1 | 61.2 | 3.3 | 0 | 0 | 0 | 114.1 | D3247 | D3247-N3249 WeakPolarHBondContact CB-OD1 3.5Å; D3247-N3249 PolarHBondContact O-N 3.47Å; D3247-N3249 VanDerWaalsContact O-N 3.15Å |
| 3250 | K | 80.2 | Confident | 84.4 | Confident | 123 Ų | 123 | 61.8 Ų | 61.8 | 54% | 0.535 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -101.3 | -14.4 | 178.5 | -68.1 | 165.8 | -167 | 152.8 | 0 | 112.2 | D3247 A3248 D3252 R3253 L3254 | D3247-K3250 PolarHBondContact O-N 3.22Å; D3247-K3250 VanDerWaalsContact O-N 3.12Å; D3247-K3250 IonicContact OD2-NZ 2.85Å; D3247-K3250 PolarHBondContact OD2-NZ 3.5Å; A3248-K3250 VanDerWaalsContact C-N 3.34Å; A3248-K3250 PolarHBondContact O-N 2.77Å; K3250-D3252 PolarHBondContact O-N 2.89Å; K3250-R3253 PolarHBondContact O-N 3.45Å; K3250-L3254 VanDerWaalsContact O-CB 3.31Å; K3250-L3254 WeakPolarHBondContact O-CB 3.41Å; K3250-L3254 PolarHBondContact O-N 3.46Å |
| 3251 | W | 82.7 | Confident | 84.1 | Confident | 11 Ų | 11 | 63.5 Ų | 63.5 | 4% | 0.042 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -51.9 | -57.7 | -170.9 | -177.8 | -97.5 | 0 | 0 | 0 | 113.6 | C3246 D3247 R3253 L3254 I3255 I3269 R3271 R3272 P3273 L3288 | C3246-W3251 HydrophobicContact CB-CE3 3.85Å; C3246-W3251 HydrophobicContact CB-CZ3 4.09Å; D3247-W3251 PolarHBondContact O-N 3.29Å; W3251-R3253 VanDerWaalsContact C-N 3.31Å; W3251-R3253 PolarHBondContact O-N 3.31Å; W3251-L3254 WeakPolarHBondContact O-CB 3.31Å; W3251-L3254 PolarHBondContact O-N 3.49Å; W3251-L3254 VanDerWaalsContact O-N 3.1Å; W3251-I3255 HydrophobicContact CD2-CD1 4.4Å; W3251-I3255 HydrophobicContact CD2-CG1 3.99Å; W3251-I3255 HydrophobicContact CG-CG1 4.29Å; W3251-I3255 HydrophobicContact CH2-CD1 4.09Å; W3251-I3255 HydrophobicContact CZ2-CD1 3.75Å; W3251-I3255 HydrophobicContact CZ2-CG1 3.93Å; W3251-I3255 WeakPolarHBondContact O-CG1 3.48Å; W3251-I3255 PolarHBondContact O-N 3.17Å; W3251-I3269 HydrophobicContact CH2-CG1 4.36Å; W3251-I3269 HydrophobicContact CH2-CG2 3.88Å; W3251-I3269 HydrophobicContact CZ2-CD1 4.24Å; W3251-I3269 HydrophobicContact CZ2-CG1 4.18Å; W3251-I3269 HydrophobicContact CZ2-CG2 3.71Å; W3251-R3271 WeakPolarHBondContact CH2-O 3.14Å; W3251-R3272 HydrophobicContact CZ2-CB 4.46Å; W3251-R3272 HydrophobicContact CZ2-CG 3.83Å; W3251-P3273 HydrophobicContact CB-CG 3.75Å; W3251-P3273 HydrophobicContact CD2-CG 3.74Å; W3251-P3273 HydrophobicContact CE3-CG 4.14Å; W3251-P3273 HydrophobicContact CG-CG 3.54Å; W3251-L3288 HydrophobicContact CH2-CD2 3.4Å; W3251-L3288 HydrophobicContact CH2-CG 4.01Å; W3251-L3288 HydrophobicContact CZ2-CD2 4.33Å; W3251-L3288 HydrophobicContact CZ3-CD1 4.37Å; W3251-L3288 HydrophobicContact CZ3-CD2 3.75Å; W3251-L3288 HydrophobicContact CZ3-CG 3.83Å |
| 3252 | D | 81.8 | Confident | 83.8 | Confident | 114 Ų | 114 | 65.1 Ų | 65.1 | 61% | 0.61 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -63.3 | -38.1 | -174.1 | -65 | -36.3 | 0 | 0 | 0 | 112.4 | K3250 G3256 | K3250-D3252 PolarHBondContact O-N 2.89Å; D3252-G3256 PolarHBondContact O-N 3.47Å |
| 3253 | R | 83 | Confident | 83.5 | Confident | 201 Ų | 201 | 70.3 Ų | 70.3 | 76% | 0.758 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -67.1 | -41.3 | 175 | -174.5 | 178.7 | -179.2 | -176.2 | -1 | 111.6 | K3250 W3251 G3256 N3257 | K3250-R3253 PolarHBondContact O-N 3.45Å; W3251-R3253 VanDerWaalsContact C-N 3.31Å; W3251-R3253 PolarHBondContact O-N 3.31Å; R3253-G3256 PolarHBondContact O-N 3.28Å; R3253-N3257 PolarHBondContact O-N 3.2Å |
| 3254 | L | 86.4 | Confident | 83.3 | Confident | 21 Ų | 21 | 74.1 Ų | 74.1 | 11% | 0.11 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -65.9 | -48.2 | 179.1 | -176.8 | 67.4 | 0 | 0 | 0 | 111.1 | L3214 L3215 C3246 K3250 W3251 G3256 N3257 L3258 L3288 | L3214-L3254 HydrophobicContact CB-CD1 3.98Å; L3215-L3254 HydrophobicContact CD2-CD1 4.43Å; L3215-L3254 HydrophobicContact CD2-CD2 4.25Å; C3246-L3254 HydrophobicContact CB-CD2 4.1Å; C3246-L3254 WeakPolarHBondContact SG-CD2 3.24Å; K3250-L3254 VanDerWaalsContact O-CB 3.31Å; K3250-L3254 WeakPolarHBondContact O-CB 3.41Å; K3250-L3254 PolarHBondContact O-N 3.46Å; W3251-L3254 WeakPolarHBondContact O-CB 3.31Å; W3251-L3254 PolarHBondContact O-N 3.49Å; W3251-L3254 VanDerWaalsContact O-N 3.1Å; L3254-G3256 VanDerWaalsContact C-N 3.28Å; L3254-G3256 PolarHBondContact O-N 3.36Å; L3254-N3257 PolarHBondContact O-N 3.12Å; L3254-N3257 VanDerWaalsContact O-N 3.1Å; L3254-L3258 HydrophobicContact CD1-CD1 3.87Å; L3254-L3258 HydrophobicContact CD1-CG 4.26Å; L3254-L3258 HydrophobicContact CD2-CD1 4.31Å; L3254-L3258 HydrophobicContact CG-CD1 3.67Å; L3254-L3258 HydrophobicContact CG-CG 4.37Å; L3254-L3258 WeakPolarHBondContact O-CB 3.48Å; L3254-L3258 VanDerWaalsContact O-CG 3.26Å; L3254-L3258 WeakPolarHBondContact O-CG 3.25Å; L3254-L3258 PolarHBondContact O-N 3.06Å; L3254-L3288 HydrophobicContact CD2-CD1 3.91Å |
| 3255 | I | 85.8 | Confident | 83.2 | Confident | 38 Ų | 38 | 78.3 Ų | 78.3 | 20% | 0.195 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -61.4 | -37.8 | 175.9 | -63.6 | -56 | 0 | 0 | 0 | 111.3 | W3251 N3257 L3258 K3259 I3262 I3269 L3288 | W3251-I3255 HydrophobicContact CD2-CD1 4.4Å; W3251-I3255 HydrophobicContact CD2-CG1 3.99Å; W3251-I3255 HydrophobicContact CG-CG1 4.29Å; W3251-I3255 HydrophobicContact CH2-CD1 4.09Å; W3251-I3255 HydrophobicContact CZ2-CD1 3.75Å; W3251-I3255 HydrophobicContact CZ2-CG1 3.93Å; W3251-I3255 WeakPolarHBondContact O-CG1 3.48Å; W3251-I3255 PolarHBondContact O-N 3.17Å; I3255-N3257 VanDerWaalsContact C-N 3.33Å; I3255-N3257 PolarHBondContact O-N 2.95Å; I3255-L3258 PolarHBondContact O-N 2.7Å; I3255-K3259 PolarHBondContact O-N 3.47Å; I3255-I3262 HydrophobicContact CD1-CD1 3.85Å; I3255-I3262 HydrophobicContact CG2-CD1 3.92Å; I3255-I3269 HydrophobicContact CD1-CD1 3.97Å; I3255-I3269 HydrophobicContact CD1-CG1 4.12Å; I3255-L3288 HydrophobicContact CD1-CD2 4.01Å |
| 3256 | G | 81.5 | Confident | 83.5 | Confident | 51 Ų | 51 | 75.8 Ų | 75.8 | 53% | 0.526 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -60.5 | -40.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | D3252 R3253 L3254 | D3252-G3256 PolarHBondContact O-N 3.47Å; R3253-G3256 PolarHBondContact O-N 3.28Å; L3254-G3256 VanDerWaalsContact C-N 3.28Å; L3254-G3256 PolarHBondContact O-N 3.36Å |
| 3257 | N | 87.1 | Confident | 84 | Confident | 90 Ų | 90 | 75.3 Ų | 75.3 | 48% | 0.481 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -76.9 | -24.3 | 177.6 | -69.5 | -13.6 | 0 | 0 | 0 | 113.6 | L3214 R3253 L3254 I3255 K3259 | L3214-N3257 HydrophobicContact CD1-CB 3.55Å; R3253-N3257 PolarHBondContact O-N 3.2Å; L3254-N3257 PolarHBondContact O-N 3.12Å; L3254-N3257 VanDerWaalsContact O-N 3.1Å; I3255-N3257 VanDerWaalsContact C-N 3.33Å; I3255-N3257 PolarHBondContact O-N 2.95Å; N3257-K3259 VanDerWaalsContact C-N 3.35Å |
| 3258 | L | 87.3 | Confident | 84.5 | Confident | 0 Ų | 0 | 75.2 Ų | 75.2 | 0% | 0 | 39% | 0.385 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.6 | 15.8 | -178.9 | -66.3 | 174.1 | 0 | 0 | 0 | 113.1 | H3212 L3215 L3254 I3255 D3260 E3261 I3262 V3267 L3288 | H3212-L3258 WeakPolarHBondContact CE1-CD2 3.47Å; L3215-L3258 HydrophobicContact CD1-CD1 4.3Å; L3215-L3258 HydrophobicContact CD1-CD2 4.1Å; L3215-L3258 HydrophobicContact CD2-CD1 3.66Å; L3215-L3258 HydrophobicContact CG-CD1 4.17Å; L3215-L3258 HydrophobicContact CG-CD2 4.29Å; L3254-L3258 HydrophobicContact CD1-CD1 3.87Å; L3254-L3258 HydrophobicContact CD1-CG 4.26Å; L3254-L3258 HydrophobicContact CD2-CD1 4.31Å; L3254-L3258 HydrophobicContact CG-CD1 3.67Å; L3254-L3258 HydrophobicContact CG-CG 4.37Å; L3254-L3258 WeakPolarHBondContact O-CB 3.48Å; L3254-L3258 VanDerWaalsContact O-CG 3.26Å; L3254-L3258 WeakPolarHBondContact O-CG 3.25Å; L3254-L3258 PolarHBondContact O-N 3.06Å; I3255-L3258 PolarHBondContact O-N 2.7Å; L3258-D3260 PolarHBondContact O-N 2.97Å; L3258-E3261 VanDerWaalsContact C-OE2 3.27Å; L3258-E3261 VanDerWaalsContact CA-OE2 3.24Å; L3258-E3261 WeakPolarHBondContact CA-OE2 3.47Å; L3258-E3261 HydrophobicContact CD2-CG 4.43Å; L3258-E3261 PolarHBondContact O-N 3.44Å; L3258-I3262 HydrophobicContact CB-CD1 4.02Å; L3258-I3262 HydrophobicContact CB-CG1 4.29Å; L3258-I3262 WeakPolarHBondContact O-CB 3.45Å; L3258-I3262 WeakPolarHBondContact O-CD1 3.45Å; L3258-I3262 WeakPolarHBondContact O-CG1 3.5Å; L3258-I3262 PolarHBondContact O-N 3.4Å; L3258-V3267 HydrophobicContact CD1-CG1 4.32Å; L3258-L3288 HydrophobicContact CD1-CD1 4.04Å |
| 3259 | K | 84.3 | Confident | 85.1 | Confident | 134 Ų | 134 | 75.6 Ų | 75.6 | 58% | 0.583 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -58.5 | -40 | -170.8 | -170.8 | -179.9 | 179 | -174.1 | 0 | 111.7 | I3255 N3257 N3263 | I3255-K3259 PolarHBondContact O-N 3.47Å; N3257-K3259 VanDerWaalsContact C-N 3.35Å; K3259-N3263 WeakPolarHBondContact O-CB 3.4Å; K3259-N3263 PolarHBondContact O-N 3.02Å; K3259-N3263 PolarHBondContact O-ND2 3.15Å; K3259-N3263 VanDerWaalsContact O-ND2 3.11Å; K3259-N3263 PolarHBondContact O-OD1 3.48Å |
| 3260 | D | 84.6 | Confident | 85.4 | Confident | 110 Ų | 110 | 73.7 Ų | 73.7 | 59% | 0.588 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -74.2 | -39.7 | -178.5 | -65.2 | -24.9 | 0 | 0 | 0 | 111.5 | L3258 I3262 N3263 N3264 | L3258-D3260 PolarHBondContact O-N 2.97Å; D3260-I3262 VanDerWaalsContact C-N 3.33Å; D3260-I3262 PolarHBondContact O-N 3.2Å; D3260-N3263 PolarHBondContact O-N 3.31Å; D3260-N3264 WeakPolarHBondContact O-CB 3.48Å; D3260-N3264 VanDerWaalsContact O-CG 3.28Å; D3260-N3264 PolarHBondContact O-N 2.95Å; D3260-N3264 PolarHBondContact O-ND2 3.12Å |
| 3261 | E | 86.9 | Confident | 85.5 | Confident | 36 Ų | 36 | 72 Ų | 72 | 17% | 0.168 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -65.4 | -36.4 | 175.4 | -66 | 77.5 | -174.2 | 0 | 0 | 112.1 | H3212 L3258 N3265 I3266 V3267 W3337 | H3212-E3261 IonicContact NE2-OE1 3.66Å; L3258-E3261 VanDerWaalsContact C-OE2 3.27Å; L3258-E3261 VanDerWaalsContact CA-OE2 3.24Å; L3258-E3261 WeakPolarHBondContact CA-OE2 3.47Å; L3258-E3261 HydrophobicContact CD2-CG 4.43Å; L3258-E3261 PolarHBondContact O-N 3.44Å; E3261-N3265 PolarHBondContact O-N 3.07Å; E3261-I3266 HydrophobicContact CB-CB 4.32Å; E3261-I3266 WeakPolarHBondContact O-CB 3.3Å; E3261-I3266 PolarHBondContact O-N 3.36Å; E3261-V3267 HydrophobicContact CB-CB 4.22Å; E3261-V3267 HydrophobicContact CB-CG2 3.78Å; E3261-V3267 PolarHBondContact O-N 3.35Å; E3261-W3337 HydrophobicContact CG-CZ2 4.24Å |
| 3262 | I | 86.1 | Confident | 85.4 | Confident | 44 Ų | 44 | 80.1 Ų | 80.1 | 23% | 0.226 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -69.9 | -44.4 | 175.2 | -67.4 | 165.8 | 0 | 0 | 0 | 110.3 | I3255 L3258 D3260 N3264 N3265 V3267 I3269 | I3255-I3262 HydrophobicContact CD1-CD1 3.85Å; I3255-I3262 HydrophobicContact CG2-CD1 3.92Å; L3258-I3262 HydrophobicContact CB-CD1 4.02Å; L3258-I3262 HydrophobicContact CB-CG1 4.29Å; L3258-I3262 WeakPolarHBondContact O-CB 3.45Å; L3258-I3262 WeakPolarHBondContact O-CD1 3.45Å; L3258-I3262 WeakPolarHBondContact O-CG1 3.5Å; L3258-I3262 PolarHBondContact O-N 3.4Å; D3260-I3262 VanDerWaalsContact C-N 3.33Å; D3260-I3262 PolarHBondContact O-N 3.2Å; I3262-N3264 VanDerWaalsContact C-N 3.25Å; I3262-N3264 PolarHBondContact O-N 2.68Å; I3262-N3265 PolarHBondContact O-N 3.3Å; I3262-V3267 WeakPolarHBondContact CA-O 3.28Å; I3262-V3267 HydrophobicContact CG1-CB 4.05Å; I3262-V3267 HydrophobicContact CG1-CG1 4.13Å; I3262-I3269 HydrophobicContact CD1-CD1 4.47Å |
| 3263 | N | 84.8 | Confident | 85.3 | Confident | 110 Ų | 110 | 75.5 Ų | 75.5 | 59% | 0.588 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -61.3 | -36.4 | 176.9 | -69.9 | -20.3 | 0 | 0 | 0 | 112 | K3259 D3260 N3265 | K3259-N3263 WeakPolarHBondContact O-CB 3.4Å; K3259-N3263 PolarHBondContact O-N 3.02Å; K3259-N3263 PolarHBondContact O-ND2 3.15Å; K3259-N3263 VanDerWaalsContact O-ND2 3.11Å; K3259-N3263 PolarHBondContact O-OD1 3.48Å; D3260-N3263 PolarHBondContact O-N 3.31Å; N3263-N3265 PolarHBondContact O-N 3.04Å |
| 3264 | N | 83.9 | Confident | 84.6 | Confident | 116 Ų | 116 | 67.8 Ų | 67.8 | 62% | 0.62 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.5 | 5.9 | 176.7 | -67.6 | -35.1 | 0 | 0 | 0 | 113.5 | D3260 I3262 I3266 | D3260-N3264 WeakPolarHBondContact O-CB 3.48Å; D3260-N3264 VanDerWaalsContact O-CG 3.28Å; D3260-N3264 PolarHBondContact O-N 2.95Å; D3260-N3264 PolarHBondContact O-ND2 3.12Å; I3262-N3264 VanDerWaalsContact C-N 3.25Å; I3262-N3264 PolarHBondContact O-N 2.68Å; N3264-I3266 HydrophobicContact CB-CD1 3.88Å; N3264-I3266 HydrophobicContact CB-CG1 3.98Å; N3264-I3266 PolarHBondContact O-N 2.94Å; N3264-I3266 VanDerWaalsContact O-N 3.14Å |
| 3265 | N | 87 | Confident | 83.3 | Confident | 95 Ų | 95 | 74.9 Ų | 74.9 | 51% | 0.508 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.9 | 26.6 | 179.8 | -164.1 | 27.4 | 0 | 0 | 0 | 114.3 | E3261 I3262 N3263 R3268 | E3261-N3265 PolarHBondContact O-N 3.07Å; I3262-N3265 PolarHBondContact O-N 3.3Å; N3263-N3265 PolarHBondContact O-N 3.04Å; N3265-R3268 PolarHBondContact O-NE 3.41Å; N3265-R3268 PolarHBondContact O-NH2 2.89Å; N3265-R3268 WeakPolarHBondContact OD1-CD 3.46Å; N3265-R3268 VanDerWaalsContact OD1-CG 3.24Å; N3265-R3268 WeakPolarHBondContact OD1-CG 3.42Å; N3265-R3268 PolarHBondContact OD1-NE 3.47Å |
| 3266 | I | 88.6 | Confident | 81.7 | Confident | 18 Ų | 18 | 79.8 Ų | 79.8 | 9% | 0.092 | 40% | 0.397 | C | S | . | . | S | Bend | trans | -81.8 | -40.9 | 173.9 | -61.2 | 172.3 | 0 | 0 | 0 | 109.4 | E3261 N3264 G3291 W3337 | E3261-I3266 HydrophobicContact CB-CB 4.32Å; E3261-I3266 WeakPolarHBondContact O-CB 3.3Å; E3261-I3266 PolarHBondContact O-N 3.36Å; N3264-I3266 HydrophobicContact CB-CD1 3.88Å; N3264-I3266 HydrophobicContact CB-CG1 3.98Å; N3264-I3266 PolarHBondContact O-N 2.94Å; N3264-I3266 VanDerWaalsContact O-N 3.14Å; I3266-G3291 PolarHBondContact O-N 2.87Å; I3266-W3337 HydrophobicContact CG2-CH2 3.95Å; I3266-W3337 HydrophobicContact CG2-CZ2 3.95Å |
| 3267 | V | 90.6 | Very high | 80.1 | Confident | 1 Ų | 1 | 86.3 Ų | 86.3 | 1% | 0.006 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 121.1 | 174.6 | 177.5 | 0 | 0 | 0 | 0 | 108.8 | L3215 L3258 E3261 I3262 L3288 S3289 V3290 | L3215-V3267 HydrophobicContact CD1-CG2 3.91Å; L3258-V3267 HydrophobicContact CD1-CG1 4.32Å; E3261-V3267 HydrophobicContact CB-CB 4.22Å; E3261-V3267 HydrophobicContact CB-CG2 3.78Å; E3261-V3267 PolarHBondContact O-N 3.35Å; I3262-V3267 WeakPolarHBondContact CA-O 3.28Å; I3262-V3267 HydrophobicContact CG1-CB 4.05Å; I3262-V3267 HydrophobicContact CG1-CG1 4.13Å; V3267-L3288 HydrophobicContact CG1-CB 4.22Å; V3267-L3288 HydrophobicContact CG1-CD1 4.16Å; V3267-L3288 HydrophobicContact CG1-CD2 4.05Å; V3267-L3288 HydrophobicContact CG1-CG 4.38Å; V3267-S3289 CarbonylContact C-O 3.57Å; V3267-S3289 WeakPolarHBondContact CA-O 3.47Å; V3267-V3290 HydrophobicContact CG2-CG1 4.38Å; V3267-V3290 HydrophobicContact CG2-CG2 4.42Å |
| 3268 | R | 90.1 | Very high | 78 | Confident | 81 Ų | 81 | 86.8 Ų | 86.8 | 31% | 0.306 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 130.9 | -179.8 | -60.1 | 176.3 | -164.4 | 118.8 | 16.9 | 109.7 | N3265 I3270 L3288 S3289 G3291 | N3265-R3268 PolarHBondContact O-NE 3.41Å; N3265-R3268 PolarHBondContact O-NH2 2.89Å; N3265-R3268 WeakPolarHBondContact OD1-CD 3.46Å; N3265-R3268 VanDerWaalsContact OD1-CG 3.24Å; N3265-R3268 WeakPolarHBondContact OD1-CG 3.42Å; N3265-R3268 PolarHBondContact OD1-NE 3.47Å; R3268-I3270 PolarHBondContact O-N 3Å; R3268-L3288 CarbonylContact O-C 3.33Å; R3268-L3288 WeakPolarHBondContact O-CA 3.25Å; R3268-S3289 PolarHBondContact N-O 3.05Å; R3268-S3289 PolarHBondContact O-N 3.5Å; R3268-G3291 PolarHBondContact NH2-O 3.25Å |
| 3269 | I | 87.6 | Confident | 76.1 | Confident | 61 Ų | 61 | 92.2 Ų | 92.2 | 31% | 0.313 | 46% | 0.461 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 109.4 | 174.8 | -61.2 | 170.7 | 0 | 0 | 0 | 108 | W3251 I3255 I3262 R3272 L3288 | W3251-I3269 HydrophobicContact CH2-CG1 4.36Å; W3251-I3269 HydrophobicContact CH2-CG2 3.88Å; W3251-I3269 HydrophobicContact CZ2-CD1 4.24Å; W3251-I3269 HydrophobicContact CZ2-CG1 4.18Å; W3251-I3269 HydrophobicContact CZ2-CG2 3.71Å; I3255-I3269 HydrophobicContact CD1-CD1 3.97Å; I3255-I3269 HydrophobicContact CD1-CG1 4.12Å; I3262-I3269 HydrophobicContact CD1-CD1 4.47Å; I3269-R3272 HydrophobicContact CG2-CG 3.95Å; I3269-L3288 HydrophobicContact CB-CD2 4.42Å; I3269-L3288 HydrophobicContact CG1-CD2 3.84Å |
| 3270 | I | 82.5 | Confident | 74.4 | Confident | 93 Ų | 93 | 91 Ų | 91 | 48% | 0.477 | 48% | 0.476 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | -45.3 | 175.9 | -56.1 | -61.3 | 0 | 0 | 0 | 110.1 | R3268 L3287 | R3268-I3270 PolarHBondContact O-N 3Å; I3270-L3287 HydrophobicContact CB-CB 4.3Å; I3270-L3287 HydrophobicContact CB-CD2 4.14Å; I3270-L3287 HydrophobicContact CB-CG 4.22Å; I3270-L3287 WeakPolarHBondContact CB-O 3.24Å; I3270-L3287 HydrophobicContact CG2-CD2 3.89Å; I3270-L3287 PolarHBondContact N-O 3.17Å |
| 3271 | R | 83 | Confident | 72.4 | Confident | 87 Ų | 87 | 88.7 Ų | 88.7 | 33% | 0.328 | 47% | 0.469 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 129.8 | -179.3 | -173.6 | 175.3 | 67.8 | -158.9 | -2.7 | 109.6 | E3245 W3251 S3285 G3286 L3287 | E3245-R3271 IonicContact OE1-NH2 3.41Å; W3251-R3271 WeakPolarHBondContact CH2-O 3.14Å; R3271-S3285 VanDerWaalsContact CZ-O 3.3Å; R3271-S3285 PolarHBondContact NE-O 3.38Å; R3271-S3285 PolarHBondContact NH2-O 2.72Å; R3271-S3285 PolarHBondContact NH2-OG 3.45Å; R3271-S3285 VanDerWaalsContact NH2-OG 3.16Å; R3271-G3286 CarbonylContact O-C 3.59Å; R3271-G3286 WeakPolarHBondContact O-CA 3.25Å; R3271-L3287 HydrophobicContact CB-CB 3.82Å; R3271-L3287 PolarHBondContact N-O 3.41Å; R3271-L3287 VanDerWaalsContact N-O 3.1Å; R3271-L3287 PolarHBondContact O-N 3.33Å |
| 3272 | R | 81.6 | Confident | 70.4 | Confident | 182 Ų | 182 | 92.3 Ų | 92.3 | 69% | 0.687 | 50% | 0.497 | S | S | * | . | P | Polyproline II helix | trans | -81.5 | 144.2 | 166.2 | -75.5 | -174.3 | -178.6 | 155 | 1.4 | 109.5 | W3251 I3269 | W3251-R3272 HydrophobicContact CZ2-CB 4.46Å; W3251-R3272 HydrophobicContact CZ2-CG 3.83Å; I3269-R3272 HydrophobicContact CG2-CG 3.95Å |
| 3273 | P | 79.1 | Confident | 68.8 | Low | 17 Ų | 17 | 92.8 Ų | 92.8 | 11% | 0.11 | 51% | 0.514 | C | S | . | . | P | Polyproline II helix | trans | -62.4 | 138.8 | 176.7 | 22 | -27.3 | 0 | 0 | 0 | 110.6 | A3248 W3251 Q3275 T3284 | A3248-P3273 HydrophobicContact CB-CB 3.64Å; A3248-P3273 HydrophobicContact CB-CG 4.13Å; W3251-P3273 HydrophobicContact CB-CG 3.75Å; W3251-P3273 HydrophobicContact CD2-CG 3.74Å; W3251-P3273 HydrophobicContact CE3-CG 4.14Å; W3251-P3273 HydrophobicContact CG-CG 3.54Å; P3273-Q3275 PolarHBondContact O-N 3.35Å; P3273-T3284 VanDerWaalsContact CA-O 3.25Å; P3273-T3284 WeakPolarHBondContact CA-O 3.38Å |
| 3274 | S | 67.5 | Low | 67.7 | Low | 39 Ų | 39 | 90.5 Ų | 90.5 | 27% | 0.273 | 50% | 0.504 | S | S | . | . | P | Polyproline II helix | trans | -73.1 | 125.5 | 175.7 | 61.5 | 0 | 0 | 0 | 0 | 109.9 | Q3276 T3284 | S3274-Q3276 VanDerWaalsContact C-N 3.26Å; S3274-Q3276 PolarHBondContact O-N 2.82Å; S3274-T3284 PolarHBondContact N-O 3.08Å; S3274-T3284 PolarHBondContact OG-N 3.08Å; S3274-T3284 PolarHBondContact OG-OG1 2.94Å |
| 3275 | Q | 59.6 | Low | 67.4 | Low | 169 Ų | 169 | 86.1 Ų | 86.1 | 79% | 0.79 | 48% | 0.482 | S | S | * | . | trans | -83.8 | 4.7 | 174.1 | -72.1 | -177.4 | -9.6 | 0 | 0 | 113.6 | P3273 Q3277 | P3273-Q3275 PolarHBondContact O-N 3.35Å; Q3275-Q3277 PolarHBondContact O-N 2.78Å | ||
| 3276 | Q | 51.2 | Low | 67 | Low | 141 Ų | 141 | 81.6 Ų | 81.6 | 66% | 0.659 | 46% | 0.458 | S | S | * | . | trans | -73.2 | 118.3 | -171.8 | -120.2 | 174.4 | -25.4 | 0 | 0 | 112 | S3274 D3278 | S3274-Q3276 VanDerWaalsContact C-N 3.26Å; S3274-Q3276 PolarHBondContact O-N 2.82Å; Q3276-D3278 PolarHBondContact O-N 2.84Å; Q3276-D3278 VanDerWaalsContact O-N 3.1Å | ||
| 3277 | Q | 47.8 | Very low | 66.9 | Low | 189 Ų | 189 | 81.6 Ų | 81.6 | 88% | 0.883 | 46% | 0.458 | S | S | * | . | trans | -77.1 | 30.6 | 179.2 | -72.6 | -177.7 | -14.9 | 0 | 0 | 113.8 | Q3275 A3279 | Q3275-Q3277 PolarHBondContact O-N 2.78Å; Q3277-A3279 PolarHBondContact O-N 3.35Å; Q3277-A3279 VanDerWaalsContact O-N 3.11Å | ||
| 3278 | D | 44.1 | Very low | 66.8 | Low | 99 Ų | 99 | 81.6 Ų | 81.6 | 53% | 0.529 | 46% | 0.458 | S | S | . | . | trans | -80.1 | 102.1 | 173.4 | -72 | -29.3 | 0 | 0 | 0 | 107.9 | Q3276 A3280 S3281 | Q3276-D3278 PolarHBondContact O-N 2.84Å; Q3276-D3278 VanDerWaalsContact O-N 3.1Å; D3278-A3280 PolarHBondContact O-N 3.26Å; D3278-S3281 PolarHBondContact O-N 3.48Å; D3278-S3281 PolarHBondContact O-OG 3.18Å; D3278-S3281 VanDerWaalsContact O-OG 3.1Å | ||
| 3279 | A | 47.7 | Very low | 66.8 | Low | 115 Ų | 115 | 78 Ų | 78 | 95% | 0.95 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | -4.5 | -173.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | Q3277 | Q3277-A3279 PolarHBondContact O-N 3.35Å; Q3277-A3279 VanDerWaalsContact O-N 3.11Å |
| 3280 | A | 47.3 | Very low | 67 | Low | 107 Ų | 107 | 75.1 Ų | 75.1 | 88% | 0.884 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.8 | -16.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | D3278 | D3278-A3280 PolarHBondContact O-N 3.26Š|
| 3281 | S | 43 | Very low | 67.2 | Low | 63 Ų | 63 | 70.7 Ų | 70.7 | 44% | 0.441 | 41% | 0.408 | S | S | . | . | S | Bend | trans | -98 | 118.3 | 173.6 | 57 | 0 | 0 | 0 | 0 | 109.2 | D3278 G3283 | D3278-S3281 PolarHBondContact O-N 3.48Å; D3278-S3281 PolarHBondContact O-OG 3.18Å; D3278-S3281 VanDerWaalsContact O-OG 3.1Å; S3281-G3283 PolarHBondContact O-N 2.99Å |
| 3282 | S | 45 | Very low | 67.6 | Low | 111 Ų | 111 | 68 Ų | 68 | 78% | 0.776 | 40% | 0.401 | S | S | * | . | trans | -52.5 | 111.1 | 167.4 | 45.8 | 0 | 0 | 0 | 0 | 108.2 | T3284 | S3282-T3284 PolarHBondContact O-N 3.1Å; S3282-T3284 VanDerWaalsContact O-N 3.08Å | ||
| 3283 | G | 52 | Low | 68.3 | Low | 55 Ų | 55 | 59.3 Ų | 59.3 | 57% | 0.567 | 37% | 0.369 | S | S | * | . | P | Polyproline II helix | trans | -52 | 121.1 | 179.9 | 0 | 0 | 0 | 0 | 0 | 108.7 | S3281 S3285 | S3281-G3283 PolarHBondContact O-N 2.99Å; G3283-S3285 PolarHBondContact O-N 2.92Å |
| 3284 | T | 62.9 | Low | 69.1 | Low | 62 Ų | 62 | 59.1 Ų | 59.1 | 38% | 0.38 | 37% | 0.366 | S | S | . | . | P | Polyproline II helix | trans | -71.1 | 126.9 | -174.2 | -1.4 | 0 | 0 | 0 | 0 | 108.7 | P3273 S3274 S3282 | P3273-T3284 VanDerWaalsContact CA-O 3.25Å; P3273-T3284 WeakPolarHBondContact CA-O 3.38Å; S3274-T3284 PolarHBondContact N-O 3.08Å; S3274-T3284 PolarHBondContact OG-N 3.08Å; S3274-T3284 PolarHBondContact OG-OG1 2.94Å; S3282-T3284 PolarHBondContact O-N 3.1Å; S3282-T3284 VanDerWaalsContact O-N 3.08Å |
| 3285 | S | 77.1 | Confident | 70.4 | Confident | 23 Ų | 23 | 57.2 Ų | 57.2 | 16% | 0.161 | 35% | 0.353 | C | S | . | . | P | Polyproline II helix | trans | -60.1 | 148.6 | 174.7 | 53.9 | 0 | 0 | 0 | 0 | 111 | E3245 R3271 G3283 | E3245-S3285 PolarHBondContact OE1-OG 3.28Å; E3245-S3285 PolarHBondContact OE2-OG 3.45Å; R3271-S3285 VanDerWaalsContact CZ-O 3.3Å; R3271-S3285 PolarHBondContact NE-O 3.38Å; R3271-S3285 PolarHBondContact NH2-O 2.72Å; R3271-S3285 PolarHBondContact NH2-OG 3.45Å; R3271-S3285 VanDerWaalsContact NH2-OG 3.16Å; G3283-S3285 PolarHBondContact O-N 2.92Å |
| 3286 | G | 79.6 | Confident | 72 | Confident | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.1 | 143.3 | 168.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | E3245 C3246 R3271 | E3245-G3286 CarbonylContact C-O 3.47Å; E3245-G3286 WeakPolarHBondContact CA-O 3.26Å; C3246-G3286 PolarHBondContact N-O 3.32Å; C3246-G3286 PolarHBondContact O-N 3.46Å; R3271-G3286 CarbonylContact O-C 3.59Å; R3271-G3286 WeakPolarHBondContact O-CA 3.25Å |
| 3287 | L | 85.7 | Confident | 74 | Confident | 19 Ų | 19 | 43.1 Ų | 43.1 | 10% | 0.099 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 121 | -179.3 | -169.9 | 68.6 | 0 | 0 | 0 | 109.6 | Q3243 E3245 I3270 R3271 | Q3243-L3287 HydrophobicContact CB-CD1 4.09Å; E3245-L3287 HydrophobicContact CG-CD1 3.64Å; I3270-L3287 HydrophobicContact CB-CB 4.3Å; I3270-L3287 HydrophobicContact CB-CD2 4.14Å; I3270-L3287 HydrophobicContact CB-CG 4.22Å; I3270-L3287 WeakPolarHBondContact CB-O 3.24Å; I3270-L3287 HydrophobicContact CG2-CD2 3.89Å; I3270-L3287 PolarHBondContact N-O 3.17Å; R3271-L3287 HydrophobicContact CB-CB 3.82Å; R3271-L3287 PolarHBondContact N-O 3.41Å; R3271-L3287 VanDerWaalsContact N-O 3.1Å; R3271-L3287 PolarHBondContact O-N 3.33Å |
| 3288 | L | 88.9 | Confident | 76 | Confident | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 140.9 | 175.6 | -62.9 | 177.8 | 0 | 0 | 0 | 109.6 | L3215 Q3243 V3244 W3251 L3254 I3255 L3258 V3267 R3268 I3269 | L3215-L3288 HydrophobicContact CD2-CD1 3.73Å; Q3243-L3288 CarbonylContact C-O 3.57Å; Q3243-L3288 WeakPolarHBondContact CA-O 3.49Å; V3244-L3288 PolarHBondContact N-O 3.04Å; V3244-L3288 PolarHBondContact O-N 2.81Å; W3251-L3288 HydrophobicContact CH2-CD2 3.4Å; W3251-L3288 HydrophobicContact CH2-CG 4.01Å; W3251-L3288 HydrophobicContact CZ2-CD2 4.33Å; W3251-L3288 HydrophobicContact CZ3-CD1 4.37Å; W3251-L3288 HydrophobicContact CZ3-CD2 3.75Å; W3251-L3288 HydrophobicContact CZ3-CG 3.83Å; L3254-L3288 HydrophobicContact CD2-CD1 3.91Å; I3255-L3288 HydrophobicContact CD1-CD2 4.01Å; L3258-L3288 HydrophobicContact CD1-CD1 4.04Å; V3267-L3288 HydrophobicContact CG1-CB 4.22Å; V3267-L3288 HydrophobicContact CG1-CD1 4.16Å; V3267-L3288 HydrophobicContact CG1-CD2 4.05Å; V3267-L3288 HydrophobicContact CG1-CG 4.38Å; R3268-L3288 CarbonylContact O-C 3.33Å; R3268-L3288 WeakPolarHBondContact O-CA 3.25Å; I3269-L3288 HydrophobicContact CB-CD2 4.42Å; I3269-L3288 HydrophobicContact CG1-CD2 3.84Å |
| 3289 | S | 90.7 | Very high | 78 | Confident | 6 Ų | 6 | 31.6 Ų | 31.6 | 4% | 0.042 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 127.2 | 167.1 | 173.7 | 0 | 0 | 0 | 0 | 108.7 | V3242 V3267 R3268 | V3242-S3289 CarbonylContact O-C 3.54Å; V3242-S3289 WeakPolarHBondContact O-CA 3.5Å; V3267-S3289 CarbonylContact C-O 3.57Å; V3267-S3289 WeakPolarHBondContact CA-O 3.47Å; R3268-S3289 PolarHBondContact N-O 3.05Å; R3268-S3289 PolarHBondContact O-N 3.5Å |
| 3290 | V | 90.7 | Very high | 79.5 | Confident | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 116.8 | -171.5 | -173 | 0 | 0 | 0 | 0 | 107.8 | T3210 L3215 D3241 V3242 V3244 V3267 W3337 | T3210-V3290 HydrophobicContact CG2-CB 4.34Å; T3210-V3290 HydrophobicContact CG2-CG1 4.26Å; T3210-V3290 HydrophobicContact CG2-CG2 4.37Å; L3215-V3290 HydrophobicContact CD1-CG1 4.07Å; L3215-V3290 HydrophobicContact CD1-CG2 3.8Å; D3241-V3290 WeakPolarHBondContact CA-O 3.31Å; V3242-V3290 PolarHBondContact N-O 3.02Å; V3242-V3290 PolarHBondContact O-N 3.27Å; V3244-V3290 HydrophobicContact CG2-CG2 3.98Å; V3267-V3290 HydrophobicContact CG2-CG1 4.38Å; V3267-V3290 HydrophobicContact CG2-CG2 4.42Å; V3290-W3337 HydrophobicContact CG1-CH2 3.72Å; V3290-W3337 HydrophobicContact CG1-CZ3 3.96Å |
| 3291 | G | 87.6 | Confident | 80.8 | Confident | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 161.2 | 173.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | D3241 I3266 R3268 | D3241-G3291 WeakPolarHBondContact OD1-CA 3.45Å; I3266-G3291 PolarHBondContact O-N 2.87Å; R3268-G3291 PolarHBondContact NH2-O 3.25Å |
| 3292 | P | 91.5 | Very high | 82 | Confident | 30 Ų | 30 | 23.2 Ų | 23.2 | 20% | 0.195 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | cis | -75.1 | 141.1 | 3.8 | 29.5 | -33.8 | 0 | 0 | 0 | 112.3 | E3239 D3241 F3294 | E3239-P3292 HydrophobicContact CB-CB 4.38Å; E3239-P3292 HydrophobicContact CG-CB 4.5Å; D3241-P3292 WeakPolarHBondContact OD1-CA 3.26Å; P3292-F3294 HydrophobicContact CB-CE1 4.1Å; P3292-F3294 HydrophobicContact CB-CZ 4.33Å; P3292-F3294 HydrophobicContact CG-CE1 3.9Å; P3292-F3294 HydrophobicContact CG-CZ 3.75Å |
| 3293 | I | 94.4 | Very high | 82.4 | Confident | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 131.4 | 164.8 | -60.8 | 170.4 | 0 | 0 | 0 | 106.6 | E3239 V3240 V3242 R3338 | E3239-I3293 WeakPolarHBondContact CA-O 3.41Å; V3240-I3293 HydrophobicContact CG2-CB 3.72Å; V3240-I3293 HydrophobicContact CG2-CG2 4.12Å; V3240-I3293 PolarHBondContact N-O 2.86Å; V3240-I3293 PolarHBondContact O-N 2.96Å; V3242-I3293 HydrophobicContact CB-CD1 4.48Å; V3242-I3293 HydrophobicContact CG2-CD1 3.83Å; I3293-R3338 WeakPolarHBondContact CG2-O 3.34Å |
| 3294 | F | 96 | Very high | 82.3 | Confident | 13 Ų | 13 | 23.4 Ų | 23.4 | 6% | 0.057 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 133.3 | -175 | -51.9 | -71.9 | 0 | 0 | 0 | 110 | Y3236 E3239 P3292 Q3335 R3338 Y3339 H3340 | Y3236-F3294 HydrophobicContact CD1-CB 4Å; Y3236-F3294 AromaticContact CD1-CD1 3.93Å; Y3236-F3294 HydrophobicContact CD1-CD1 3.93Å; Y3236-F3294 HydrophobicContact CD1-CG 4.13Å; Y3236-F3294 HydrophobicContact CD2-CB 4.32Å; Y3236-F3294 AromaticContact CD2-CD1 3.95Å; Y3236-F3294 HydrophobicContact CD2-CD1 3.95Å; Y3236-F3294 HydrophobicContact CE1-CB 4.43Å; Y3236-F3294 AromaticContact CE1-CD1 3.52Å; Y3236-F3294 HydrophobicContact CE1-CD1 3.52Å; Y3236-F3294 AromaticContact CE1-CE1 3.94Å; Y3236-F3294 HydrophobicContact CE1-CE1 3.94Å; Y3236-F3294 HydrophobicContact CE1-CG 4.06Å; Y3236-F3294 AromaticContact CE2-CD1 3.55Å; Y3236-F3294 HydrophobicContact CE2-CD1 3.55Å; Y3236-F3294 HydrophobicContact CE2-CE1 4.11Å; Y3236-F3294 HydrophobicContact CG-CB 3.92Å; Y3236-F3294 HydrophobicContact CG-CD1 4.12Å; Y3236-F3294 HydrophobicContact CG-CG 4.37Å; Y3236-F3294 AromaticContact CZ-CD1 3.27Å; Y3236-F3294 AromaticContact CZ-CE1 3.53Å; Y3236-F3294 VanDerWaalsContact OH-CE1 3.28Å; Y3236-F3294 WeakPolarHBondContact OH-CE1 3.23Å; E3239-F3294 HydrophobicContact CG-CD1 4Å; E3239-F3294 HydrophobicContact CG-CE1 4.23Å; P3292-F3294 HydrophobicContact CB-CE1 4.1Å; P3292-F3294 HydrophobicContact CB-CZ 4.33Å; P3292-F3294 HydrophobicContact CG-CE1 3.9Å; P3292-F3294 HydrophobicContact CG-CZ 3.75Å; F3294-Q3335 HydrophobicContact CD2-CB 4.04Å; F3294-Q3335 HydrophobicContact CD2-CG 3.75Å; F3294-Q3335 HydrophobicContact CE2-CB 4.27Å; F3294-Q3335 HydrophobicContact CE2-CG 3.77Å; F3294-R3338 HydrophobicContact CD2-CB 4.38Å; F3294-R3338 PolarHBondContact N-O 3.1Å; F3294-Y3339 HydrophobicContact CB-CD2 4.1Å; F3294-Y3339 WeakPolarHBondContact O-CA 3.3Å; F3294-H3340 PolarHBondContact O-N 3.03Å |
| 3295 | I | 95.1 | Very high | 81.3 | Confident | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 122.3 | -175.2 | -54.6 | -179.7 | 0 | 0 | 0 | 109.7 | L3186 F3208 D3237 L3238 V3240 V3297 H3340 L3342 | L3186-I3295 HydrophobicContact CD1-CD1 4.48Å; F3208-I3295 HydrophobicContact CZ-CD1 3.84Å; D3237-I3295 PolarHBondContact N-O 3.37Å; L3238-I3295 HydrophobicContact CB-CB 4.16Å; L3238-I3295 HydrophobicContact CD1-CB 4.37Å; L3238-I3295 HydrophobicContact CD1-CG2 4.21Å; L3238-I3295 PolarHBondContact N-O 2.86Å; L3238-I3295 PolarHBondContact O-N 3.49Å; V3240-I3295 HydrophobicContact CB-CD1 4.4Å; V3240-I3295 HydrophobicContact CG1-CD1 3.63Å; V3240-I3295 HydrophobicContact CG2-CD1 3.82Å; V3240-I3295 HydrophobicContact CG2-CG1 4.37Å; I3295-V3297 HydrophobicContact CG2-CG2 4.31Å; I3295-H3340 WeakPolarHBondContact CA-O 3.47Å; I3295-H3340 HydrophobicContact CG1-CB 4.29Å; I3295-L3342 HydrophobicContact CG2-CB 4.26Å; I3295-L3342 HydrophobicContact CG2-CD1 3.49Å; I3295-L3342 VanDerWaalsContact CG2-CD1 3.49Å; I3295-L3342 HydrophobicContact CG2-CG 3.72Å |
| 3296 | E | 94.2 | Very high | 79.4 | Confident | 8 Ų | 8 | 27.9 Ų | 27.9 | 4% | 0.037 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 134 | 168.6 | 178.3 | 58.8 | -159.4 | 0 | 0 | 110.4 | Y3236 K3298 F3324 Y3339 H3340 L3341 L3342 | Y3236-E3296 VanDerWaalsContact CA-OE2 3.28Å; Y3236-E3296 WeakPolarHBondContact CA-OE2 3.42Å; E3296-K3298 HydrophobicContact CG-CD 4.28Å; E3296-K3298 HydrophobicContact CG-CG 4.27Å; E3296-K3298 WeakPolarHBondContact OE1-CD 3.49Å; E3296-K3298 WeakPolarHBondContact OE1-CE 3.38Å; E3296-K3298 IonicContact OE1-NZ 3.16Å; E3296-K3298 PolarHBondContact OE1-NZ 3.11Å; E3296-F3324 HydrophobicContact CB-CE2 4.48Å; E3296-F3324 HydrophobicContact CG-CE2 3.89Å; E3296-F3324 HydrophobicContact CG-CZ 4.35Å; E3296-Y3339 HydrophobicContact CB-CE1 3.88Å; E3296-Y3339 WeakPolarHBondContact CB-OH 3.3Å; E3296-H3340 PolarHBondContact N-O 3.05Å; E3296-L3341 HydrophobicContact CB-CD1 4.42Å; E3296-L3341 HydrophobicContact CG-CD1 4.28Å; E3296-L3342 PolarHBondContact O-N 2.94Å |
| 3297 | V | 92.2 | Very high | 77.3 | Confident | 6 Ų | 6 | 35.1 Ų | 35.1 | 4% | 0.036 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 109.9 | 179.9 | -176.4 | 0 | 0 | 0 | 0 | 110.6 | E3179 I3182 D3237 L3238 I3295 L3342 V3344 | E3179-V3297 HydrophobicContact CG-CB 4.06Å; E3179-V3297 HydrophobicContact CG-CG1 4.39Å; I3182-V3297 HydrophobicContact CB-CG2 4.4Å; I3182-V3297 HydrophobicContact CG1-CG1 4.08Å; I3182-V3297 HydrophobicContact CG1-CG2 4.33Å; I3182-V3297 HydrophobicContact CG2-CG2 4.25Å; D3237-V3297 HydrophobicContact CB-CG2 4.36Å; D3237-V3297 WeakPolarHBondContact OD2-CB 3.4Å; D3237-V3297 PolarHBondContact OD2-N 3.2Å; L3238-V3297 HydrophobicContact CD1-CG2 3.31Å; I3295-V3297 HydrophobicContact CG2-CG2 4.31Å; V3297-L3342 WeakPolarHBondContact CA-O 3.36Å; V3297-L3342 HydrophobicContact CG2-CB 4.34Å; V3297-V3344 HydrophobicContact CG1-CG2 3.89Å |
| 3298 | K | 89.5 | Confident | 74.7 | Confident | 33 Ų | 33 | 38.1 Ų | 38.1 | 14% | 0.143 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 113.9 | 174.9 | -62.7 | -58.4 | -170.7 | -163.4 | 0 | 110.3 | E3296 F3322 E3323 F3324 E3328 L3341 L3342 R3343 V3344 | E3296-K3298 HydrophobicContact CG-CD 4.28Å; E3296-K3298 HydrophobicContact CG-CG 4.27Å; E3296-K3298 WeakPolarHBondContact OE1-CD 3.49Å; E3296-K3298 WeakPolarHBondContact OE1-CE 3.38Å; E3296-K3298 IonicContact OE1-NZ 3.16Å; E3296-K3298 PolarHBondContact OE1-NZ 3.11Å; K3298-F3322 HydrophobicContact CB-CD2 4Å; K3298-F3322 HydrophobicContact CB-CE2 4.44Å; K3298-F3322 HydrophobicContact CB-CG 4.48Å; K3298-F3322 HydrophobicContact CG-CD2 3.83Å; K3298-F3322 HydrophobicContact CG-CE2 4.17Å; K3298-E3323 WeakPolarHBondContact CE-O 3.37Å; K3298-F3324 HydrophobicContact CG-CD2 4.39Å; K3298-E3328 WeakPolarHBondContact CE-OE2 3.39Å; K3298-E3328 IonicContact NZ-OE1 3.48Å; K3298-E3328 PolarHBondContact NZ-OE1 3.26Å; K3298-E3328 IonicContact NZ-OE2 3.9Å; K3298-E3328 PolarHBondContact NZ-OE2 3.46Å; K3298-L3341 HydrophobicContact CB-CD1 4.18Å; K3298-L3341 HydrophobicContact CG-CD1 3.75Å; K3298-L3342 PolarHBondContact N-O 2.89Å; K3298-R3343 WeakPolarHBondContact O-CA 3.44Å; K3298-R3343 VanDerWaalsContact O-CD 3.3Å; K3298-R3343 WeakPolarHBondContact O-CD 3.31Å; K3298-V3344 PolarHBondContact O-N 3.15Å |
| 3299 | S | 86.8 | Confident | 71.9 | Confident | 13 Ų | 13 | 45.9 Ų | 45.9 | 9% | 0.091 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 139.4 | -179.1 | -163.5 | 0 | 0 | 0 | 0 | 114.1 | I3174 V3344 W3346 | I3174-S3299 VanDerWaalsContact O-CB 3.3Å; I3174-S3299 WeakPolarHBondContact O-CB 3.45Å; I3174-S3299 PolarHBondContact O-OG 2.87Å; S3299-V3344 CarbonylContact C-O 3.47Å; S3299-V3344 WeakPolarHBondContact CA-O 3.5Å; S3299-V3344 PolarHBondContact OG-O 3.46Å; S3299-V3344 VanDerWaalsContact OG-O 3.1Å; S3299-W3346 VanDerWaalsContact OG-CD1 3.24Å; S3299-W3346 PolarHBondContact OG-NE1 3.26Å |
| 3300 | T | 79.7 | Confident | 69.1 | Low | 35 Ų | 35 | 52.4 Ų | 52.4 | 22% | 0.215 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 163.7 | 176.7 | 51.5 | 0 | 0 | 0 | 0 | 111.5 | R3343 V3344 I3345 W3346 | T3300-R3343 PolarHBondContact OG1-NH2 2.8Å; T3300-V3344 PolarHBondContact N-O 2.84Å; T3300-I3345 WeakPolarHBondContact O-CA 3.41Å; T3300-W3346 PolarHBondContact O-N 3.07Å |
| 3301 | V | 73.9 | Confident | 66 | Low | 22 Ų | 22 | 57.3 Ų | 57.3 | 13% | 0.133 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 135.4 | 169.9 | -174.3 | 0 | 0 | 0 | 0 | 108.6 | I3174 S3303 N3348 F3354 M3357 | I3174-V3301 HydrophobicContact CD1-CG2 3.71Å; I3174-V3301 HydrophobicContact CG1-CG2 3.84Å; V3301-S3303 PolarHBondContact O-N 3.14Å; V3301-S3303 VanDerWaalsContact O-N 3.15Å; V3301-N3348 HydrophobicContact CG1-CB 3.81Å; V3301-F3354 HydrophobicContact CB-CE2 4.11Å; V3301-F3354 HydrophobicContact CB-CZ 3.96Å; V3301-F3354 HydrophobicContact CG1-CE2 4.27Å; V3301-F3354 HydrophobicContact CG1-CZ 4.49Å; V3301-F3354 HydrophobicContact CG2-CE1 4.4Å; V3301-F3354 HydrophobicContact CG2-CE2 4.32Å; V3301-F3354 HydrophobicContact CG2-CZ 3.73Å; V3301-M3357 HydrophobicContact CG1-SD 4.2Å; V3301-M3357 HydrophobicContact CG2-SD 3.77Å |
| 3302 | D | 67.5 | Low | 63.3 | Low | 52 Ų | 52 | 66.2 Ų | 66.2 | 28% | 0.278 | 37% | 0.37 | S | S | . | . | trans | -64.9 | 111.8 | 175.6 | -166.4 | -11.2 | 0 | 0 | 0 | 110.4 | T3304 I3345 W3346 | D3302-T3304 VanDerWaalsContact C-N 3.35Å; D3302-T3304 VanDerWaalsContact CG-OG1 3.23Å; D3302-T3304 VanDerWaalsContact OD1-CB 3.29Å; D3302-T3304 WeakPolarHBondContact OD1-CB 3.36Å; D3302-T3304 VanDerWaalsContact OD1-CG2 3.26Å; D3302-T3304 WeakPolarHBondContact OD1-CG2 3.33Å; D3302-T3304 PolarHBondContact OD1-N 3.46Å; D3302-T3304 PolarHBondContact OD1-OG1 3.06Å; D3302-T3304 PolarHBondContact OD2-OG1 3.15Å; D3302-I3345 HydrophobicContact CB-CG2 3.9Å; D3302-W3346 WeakPolarHBondContact CB-O 3.44Å; D3302-W3346 PolarHBondContact N-O 2.79Å | ||
| 3303 | S | 55 | Low | 60.2 | Low | 90 Ų | 90 | 70.9 Ų | 70.9 | 63% | 0.629 | 40% | 0.398 | S | S | * | . | trans | -86.4 | -4.6 | 178.6 | 58 | 0 | 0 | 0 | 0 | 113.4 | V3301 N3305 L3306 | V3301-S3303 PolarHBondContact O-N 3.14Å; V3301-S3303 VanDerWaalsContact O-N 3.15Å; S3303-N3305 PolarHBondContact O-N 3.19Å; S3303-L3306 PolarHBondContact O-N 3.38Å | ||
| 3304 | T | 49.1 | Very low | 56.9 | Low | 80 Ų | 80 | 75.2 Ų | 75.2 | 49% | 0.491 | 42% | 0.421 | S | S | . | . | G | 310 helix | trans | -65.6 | -23.8 | -171.7 | 58.3 | 0 | 0 | 0 | 0 | 113.7 | D3302 | D3302-T3304 VanDerWaalsContact C-N 3.35Å; D3302-T3304 VanDerWaalsContact CG-OG1 3.23Å; D3302-T3304 VanDerWaalsContact OD1-CB 3.29Å; D3302-T3304 WeakPolarHBondContact OD1-CB 3.36Å; D3302-T3304 VanDerWaalsContact OD1-CG2 3.26Å; D3302-T3304 WeakPolarHBondContact OD1-CG2 3.33Å; D3302-T3304 PolarHBondContact OD1-N 3.46Å; D3302-T3304 PolarHBondContact OD1-OG1 3.06Å; D3302-T3304 PolarHBondContact OD2-OG1 3.15Å |
| 3305 | N | 41.4 | Very low | 53.6 | Low | 75 Ų | 75 | 82.1 Ų | 82.1 | 40% | 0.401 | 46% | 0.458 | S | S | . | . | G | 310 helix | trans | -88 | -4.7 | -178.5 | -87.9 | -19.2 | 0 | 0 | 0 | 115.7 | S3303 Q3307 P3350 | S3303-N3305 PolarHBondContact O-N 3.19Å; N3305-Q3307 PolarHBondContact O-N 3.17Å; N3305-P3350 HydrophobicContact CB-CB 4.4Å |
| 3306 | L | 38.6 | Very low | 50.5 | Low | 103 Ų | 103 | 87.3 Ų | 87.3 | 54% | 0.539 | 49% | 0.486 | S | S | . | . | G | 310 helix | trans | -76.2 | -4.4 | -179.1 | -94.1 | 147.8 | 0 | 0 | 0 | 114 | S3303 | S3303-L3306 PolarHBondContact O-N 3.38Š|
| 3307 | Q | 35.7 | Very low | 47.8 | Very low | 153 Ų | 153 | 93 Ų | 93 | 72% | 0.715 | 52% | 0.516 | S | S | * | . | S | Bend | trans | -142.5 | 67.1 | -178.3 | -69.3 | -173.6 | 5.3 | 0 | 0 | 113.2 | N3305 | N3305-Q3307 PolarHBondContact O-N 3.17Š|
| 3308 | S | 30.3 | Very low | 45.5 | Very low | 82 Ų | 82 | 95.3 Ų | 95.3 | 57% | 0.573 | 54% | 0.54 | S | S | * | . | trans | -134.4 | 69.8 | 169.7 | 73.7 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 3309 | N | 30.3 | Very low | 43.9 | Very low | 163 Ų | 163 | 98.2 Ų | 98.2 | 87% | 0.872 | 56% | 0.561 | S | S | * | * | S | Bend | trans | -119.4 | 0 | 155.5 | -83.6 | -18.4 | 0 | 0 | 0 | 113.3 | ||
| 3310 | N | 30.5 | Very low | 42.9 | Very low | 143 Ų | 143 | 101.2 Ų | 101.2 | 77% | 0.765 | 58% | 0.576 | S | S | * | * | S | Bend | trans | -119.2 | 98.5 | 176.2 | -76.2 | -21.5 | 0 | 0 | 0 | 109.8 | ||
| 3311 | S | 27.1 | Very low | 42.5 | Very low | 103 Ų | 103 | 104.5 Ų | 104.5 | 72% | 0.72 | 59% | 0.592 | S | S | * | * | trans | -50.2 | 143.5 | 166.4 | 51.1 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 3312 | E | 29.2 | Very low | 42.6 | Very low | 187 Ų | 187 | 106.3 Ų | 106.3 | 87% | 0.874 | 60% | 0.598 | S | S | * | * | S | Bend | trans | 100.2 | -5.7 | 154.1 | -53 | -166.4 | 153.5 | 0 | 0 | 121.5 | ||
| 3313 | T | 28.1 | Very low | 43.1 | Very low | 128 Ų | 128 | 106.9 Ų | 106.9 | 79% | 0.785 | 60% | 0.599 | S | S | * | * | trans | -139.3 | -0.9 | 173.8 | 49.7 | 0 | 0 | 0 | 0 | 117.9 | L3315 | T3313-L3315 VanDerWaalsContact C-N 3.28Å; T3313-L3315 PolarHBondContact O-N 3.03Å | ||
| 3314 | N | 25 | Very low | 44.4 | Very low | 90 Ų | 90 | 104.1 Ų | 104.1 | 48% | 0.481 | 58% | 0.575 | S | S | . | * | trans | -85.9 | 64 | 178.5 | -91.4 | -24.9 | 0 | 0 | 0 | 112.9 | N3316 | N3314-N3316 PolarHBondContact O-N 3.22Å; N3314-N3316 VanDerWaalsContact O-N 3.12Å | ||
| 3315 | L | 26.8 | Very low | 45.9 | Very low | 159 Ų | 159 | 100.9 Ų | 100.9 | 83% | 0.832 | 56% | 0.556 | S | S | * | * | trans | -71.8 | 18.8 | 156.2 | -77.8 | 166.9 | 0 | 0 | 0 | 112.1 | T3313 L3317 | T3313-L3315 VanDerWaalsContact C-N 3.28Å; T3313-L3315 PolarHBondContact O-N 3.03Å; L3315-L3317 PolarHBondContact O-N 3.44Å | ||
| 3316 | N | 30.4 | Very low | 47.7 | Very low | 109 Ų | 109 | 103 Ų | 103 | 58% | 0.583 | 57% | 0.566 | S | S | * | * | trans | -77.4 | 64.5 | 164.9 | -70.7 | -28.6 | 0 | 0 | 0 | 108.4 | N3314 G3318 | N3314-N3316 PolarHBondContact O-N 3.22Å; N3314-N3316 VanDerWaalsContact O-N 3.12Å; N3316-G3318 PolarHBondContact O-N 3.33Å | ||
| 3317 | L | 35.7 | Very low | 49.7 | Very low | 128 Ų | 128 | 99.2 Ų | 99.2 | 67% | 0.67 | 55% | 0.548 | S | S | * | . | trans | -58.3 | 86.4 | 148.8 | -84.1 | 146.6 | 0 | 0 | 0 | 105 | L3315 T3319 | L3315-L3317 PolarHBondContact O-N 3.44Å; L3317-T3319 PolarHBondContact O-N 2.96Å; L3317-T3319 VanDerWaalsContact O-N 3.15Å | ||
| 3318 | G | 43.9 | Very low | 52.2 | Low | 53 Ų | 53 | 92 Ų | 92 | 55% | 0.546 | 52% | 0.515 | S | S | . | . | trans | -52.9 | 123.1 | -178.9 | 0 | 0 | 0 | 0 | 0 | 106.9 | N3316 D3320 | N3316-G3318 PolarHBondContact O-N 3.33Å; G3318-D3320 PolarHBondContact O-N 2.91Å; G3318-D3320 VanDerWaalsContact O-N 3.13Å | ||
| 3319 | T | 57.1 | Low | 54.8 | Low | 95 Ų | 95 | 90.4 Ų | 90.4 | 58% | 0.583 | 50% | 0.499 | S | S | * | . | trans | -54.9 | 123 | 173.7 | -51.5 | 0 | 0 | 0 | 0 | 107.2 | L3317 L3321 | L3317-T3319 PolarHBondContact O-N 2.96Å; L3317-T3319 VanDerWaalsContact O-N 3.15Å; T3319-L3321 HydrophobicContact CG2-CD2 4.45Å; T3319-L3321 PolarHBondContact O-N 3.03Å | ||
| 3320 | D | 65.3 | Low | 57.4 | Low | 76 Ų | 76 | 86.1 Ų | 86.1 | 41% | 0.406 | 48% | 0.476 | S | S | . | . | trans | -67.8 | 95.7 | -178.9 | -177.3 | 28.8 | 0 | 0 | 0 | 109.1 | G3318 R3343 | G3318-D3320 PolarHBondContact O-N 2.91Å; G3318-D3320 VanDerWaalsContact O-N 3.13Å; D3320-R3343 VanDerWaalsContact CG-NH2 3.29Å; D3320-R3343 IonicContact OD1-CZ 3.44Å; D3320-R3343 IonicContact OD1-NE 3.43Å; D3320-R3343 IonicContact OD1-NH2 2.71Å; D3320-R3343 PolarHBondContact OD1-NH2 2.68Å; D3320-R3343 IonicContact OD2-CZ 3.76Å; D3320-R3343 IonicContact OD2-NE 2.55Å; D3320-R3343 PolarHBondContact OD2-NE 2.93Å; D3320-R3343 IonicContact OD2-NH2 3.58Å; D3320-R3343 PolarHBondContact OD2-NH2 3.49Å | ||
| 3321 | L | 71 | Confident | 60.1 | Low | 104 Ų | 104 | 79.6 Ų | 79.6 | 55% | 0.545 | 44% | 0.442 | S | S | . | . | trans | -94.3 | 134.4 | -178.2 | -69 | 171.3 | 0 | 0 | 0 | 109.7 | T3319 | T3319-L3321 HydrophobicContact CG2-CD2 4.45Å; T3319-L3321 PolarHBondContact O-N 3.03Å | ||
| 3322 | F | 76.9 | Confident | 63.1 | Low | 60 Ų | 60 | 74.9 Ų | 74.9 | 26% | 0.263 | 41% | 0.408 | S | S | . | . | trans | -144 | 151.1 | 169.8 | 56.2 | -85.7 | 0 | 0 | 0 | 110.7 | K3298 F3324 L3341 R3343 I3382 | K3298-F3322 HydrophobicContact CB-CD2 4Å; K3298-F3322 HydrophobicContact CB-CE2 4.44Å; K3298-F3322 HydrophobicContact CB-CG 4.48Å; K3298-F3322 HydrophobicContact CG-CD2 3.83Å; K3298-F3322 HydrophobicContact CG-CE2 4.17Å; F3322-F3324 HydrophobicContact CE2-CD2 4.14Å; F3322-L3341 HydrophobicContact CE2-CD2 3.79Å; F3322-L3341 HydrophobicContact CZ-CD2 3.74Å; F3322-R3343 VanDerWaalsContact CG-NH1 3.29Å; F3322-I3382 HydrophobicContact CZ-CD1 4.07Å | ||
| 3323 | E | 78.4 | Confident | 65.8 | Low | 64 Ų | 64 | 68.9 Ų | 68.9 | 30% | 0.299 | 39% | 0.387 | S | S | . | . | trans | -78.9 | 142.6 | 178.6 | -170.5 | 157.3 | -147.7 | 0 | 0 | 109.9 | T3108 T3109 K3298 | T3108-E3323 VanDerWaalsContact CA-OE2 3.31Å; T3108-E3323 WeakPolarHBondContact CA-OE2 3.32Å; T3109-E3323 PolarHBondContact N-OE1 3.49Å; T3109-E3323 PolarHBondContact N-OE2 2.87Å; T3109-E3323 PolarHBondContact OG1-OE1 3.48Å; T3109-E3323 VanDerWaalsContact OG1-OE1 3.05Å; K3298-E3323 WeakPolarHBondContact CE-O 3.37Å | ||
| 3324 | F | 80.6 | Confident | 68.7 | Low | 32 Ų | 32 | 67.6 Ų | 67.6 | 14% | 0.14 | 37% | 0.372 | C | S | . | . | trans | -140.8 | 116.3 | 178.5 | -155.3 | -85.6 | 0 | 0 | 0 | 106.4 | E3296 K3298 F3322 E3328 I3329 Y3339 L3341 L3371 | E3296-F3324 HydrophobicContact CB-CE2 4.48Å; E3296-F3324 HydrophobicContact CG-CE2 3.89Å; E3296-F3324 HydrophobicContact CG-CZ 4.35Å; K3298-F3324 HydrophobicContact CG-CD2 4.39Å; F3322-F3324 HydrophobicContact CE2-CD2 4.14Å; F3324-E3328 WeakPolarHBondContact CA-OE2 3.33Å; F3324-E3328 HydrophobicContact CD1-CB 3.62Å; F3324-E3328 HydrophobicContact CE1-CB 3.3Å; F3324-E3328 HydrophobicContact CE1-CG 4.49Å; F3324-E3328 HydrophobicContact CG-CB 4.46Å; F3324-E3328 WeakPolarHBondContact CG-OE2 3.41Å; F3324-E3328 HydrophobicContact CZ-CB 3.82Å; F3324-I3329 HydrophobicContact CB-CD1 4.4Å; F3324-I3329 HydrophobicContact CD1-CB 4.43Å; F3324-I3329 HydrophobicContact CD1-CD1 3.73Å; F3324-I3329 HydrophobicContact CD1-CG1 3.51Å; F3324-I3329 HydrophobicContact CE1-CG1 3.88Å; F3324-Y3339 AromaticContact CZ-CE1 3.89Å; F3324-Y3339 HydrophobicContact CZ-CE1 3.89Å; F3324-L3341 HydrophobicContact CE2-CD1 4.08Å; F3324-L3341 HydrophobicContact CE2-CD2 4.27Å; F3324-L3371 HydrophobicContact CE1-CD2 4.04Å; F3324-L3371 HydrophobicContact CE2-CD2 3.93Å; F3324-L3371 HydrophobicContact CZ-CD2 3.35Å | ||
| 3325 | S | 80.7 | Confident | 71.7 | Confident | 12 Ų | 12 | 65.5 Ų | 65.5 | 8% | 0.084 | 36% | 0.36 | C | S | . | . | trans | -73.8 | 159.8 | -167.2 | 71.5 | 0 | 0 | 0 | 0 | 111.4 | T3104 E3328 I3329 | T3104-S3325 WeakPolarHBondContact CG2-OG 3.25Å; S3325-E3328 WeakPolarHBondContact CB-OE1 3.4Å; S3325-E3328 PolarHBondContact N-OE2 2.91Å; S3325-E3328 PolarHBondContact O-N 3.35Å; S3325-E3328 WeakPolarHBondContact OG-CG 3.21Å; S3325-E3328 PolarHBondContact OG-N 3.26Å; S3325-E3328 PolarHBondContact OG-OE1 3.35Å; S3325-I3329 PolarHBondContact O-N 3.32Å | ||
| 3326 | L | 79.7 | Confident | 74.7 | Confident | 118 Ų | 118 | 58.8 Ų | 58.8 | 62% | 0.618 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -60.2 | -44 | 176.7 | 180 | 64.9 | 0 | 0 | 0 | 112.2 | E3328 I3329 L3330 | L3326-E3328 VanDerWaalsContact C-N 3.32Å; L3326-E3328 PolarHBondContact O-N 2.91Å; L3326-I3329 PolarHBondContact O-N 3.39Å; L3326-L3330 HydrophobicContact CD1-CD1 4.25Å; L3326-L3330 HydrophobicContact CD1-CG 4.15Å; L3326-L3330 HydrophobicContact CG-CD1 3.99Å; L3326-L3330 HydrophobicContact CG-CG 4.34Å; L3326-L3330 WeakPolarHBondContact O-CB 3.47Å; L3326-L3330 WeakPolarHBondContact O-CG 3.48Å; L3326-L3330 PolarHBondContact O-N 3.03Å |
| 3327 | P | 81.3 | Confident | 77.6 | Confident | 25 Ų | 25 | 55.2 Ų | 55.2 | 16% | 0.162 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -57.8 | -39.9 | 173.7 | -27.2 | 36.8 | 0 | 0 | 0 | 113.7 | T3104 P3235 L3330 C3331 | T3104-P3327 HydrophobicContact CG2-CG 4.49Å; P3235-P3327 HydrophobicContact CB-CB 3.9Å; P3327-L3330 PolarHBondContact O-N 3.15Å; P3327-C3331 VanDerWaalsContact O-CB 3.26Å; P3327-C3331 WeakPolarHBondContact O-CB 3.23Å; P3327-C3331 PolarHBondContact O-N 3.42Å |
| 3328 | E | 87.8 | Confident | 80.4 | Confident | 1 Ų | 1 | 51 Ų | 51 | 1% | 0.005 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -63.6 | -45.5 | 175.9 | -69.5 | 155.3 | -146.7 | 0 | 0 | 111.5 | P3235 K3298 F3324 S3325 L3326 L3330 C3331 A3332 Y3339 | P3235-E3328 HydrophobicContact CB-CG 4.3Å; K3298-E3328 WeakPolarHBondContact CE-OE2 3.39Å; K3298-E3328 IonicContact NZ-OE1 3.48Å; K3298-E3328 PolarHBondContact NZ-OE1 3.26Å; K3298-E3328 IonicContact NZ-OE2 3.9Å; K3298-E3328 PolarHBondContact NZ-OE2 3.46Å; F3324-E3328 WeakPolarHBondContact CA-OE2 3.33Å; F3324-E3328 HydrophobicContact CD1-CB 3.62Å; F3324-E3328 HydrophobicContact CE1-CB 3.3Å; F3324-E3328 HydrophobicContact CE1-CG 4.49Å; F3324-E3328 HydrophobicContact CG-CB 4.46Å; F3324-E3328 WeakPolarHBondContact CG-OE2 3.41Å; F3324-E3328 HydrophobicContact CZ-CB 3.82Å; S3325-E3328 WeakPolarHBondContact CB-OE1 3.4Å; S3325-E3328 PolarHBondContact N-OE2 2.91Å; S3325-E3328 PolarHBondContact O-N 3.35Å; S3325-E3328 WeakPolarHBondContact OG-CG 3.21Å; S3325-E3328 PolarHBondContact OG-N 3.26Å; S3325-E3328 PolarHBondContact OG-OE1 3.35Å; L3326-E3328 VanDerWaalsContact C-N 3.32Å; L3326-E3328 PolarHBondContact O-N 2.91Å; E3328-L3330 PolarHBondContact O-N 3.38Å; E3328-C3331 PolarHBondContact O-N 3.21Å; E3328-A3332 VanDerWaalsContact O-CB 3.32Å; E3328-A3332 WeakPolarHBondContact O-CB 3.35Å; E3328-A3332 PolarHBondContact O-N 3.11Å; E3328-Y3339 WeakPolarHBondContact CB-OH 3.46Å |
| 3329 | I | 84.9 | Confident | 82.8 | Confident | 48 Ų | 48 | 48.5 Ų | 48.5 | 25% | 0.246 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -62.5 | -43.2 | 176.5 | -85.6 | 137.2 | 0 | 0 | 0 | 111.3 | F3324 S3325 L3326 A3332 S3333 L3384 | F3324-I3329 HydrophobicContact CB-CD1 4.4Å; F3324-I3329 HydrophobicContact CD1-CB 4.43Å; F3324-I3329 HydrophobicContact CD1-CD1 3.73Å; F3324-I3329 HydrophobicContact CD1-CG1 3.51Å; F3324-I3329 HydrophobicContact CE1-CG1 3.88Å; S3325-I3329 PolarHBondContact O-N 3.32Å; L3326-I3329 PolarHBondContact O-N 3.39Å; I3329-A3332 PolarHBondContact O-N 3.13Å; I3329-S3333 PolarHBondContact O-N 3.48Å; I3329-L3384 HydrophobicContact CD1-CD1 3.79Å; I3329-L3384 HydrophobicContact CG1-CD1 4.36Å |
| 3330 | L | 84.8 | Confident | 84.6 | Confident | 73 Ų | 73 | 44 Ų | 44 | 38% | 0.382 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -65.1 | -44.6 | 178.7 | -71.8 | 174.3 | 0 | 0 | 0 | 110.9 | L3326 P3327 E3328 S3333 Q3334 | L3326-L3330 HydrophobicContact CD1-CD1 4.25Å; L3326-L3330 HydrophobicContact CD1-CG 4.15Å; L3326-L3330 HydrophobicContact CG-CD1 3.99Å; L3326-L3330 HydrophobicContact CG-CG 4.34Å; L3326-L3330 WeakPolarHBondContact O-CB 3.47Å; L3326-L3330 WeakPolarHBondContact O-CG 3.48Å; L3326-L3330 PolarHBondContact O-N 3.03Å; P3327-L3330 PolarHBondContact O-N 3.15Å; E3328-L3330 PolarHBondContact O-N 3.38Å; L3330-S3333 PolarHBondContact O-N 3.43Å; L3330-Q3334 WeakPolarHBondContact O-CB 3.3Å; L3330-Q3334 VanDerWaalsContact O-CG 3.29Å; L3330-Q3334 WeakPolarHBondContact O-CG 3.46Å; L3330-Q3334 PolarHBondContact O-N 3.31Å |
| 3331 | C | 88.5 | Confident | 85.9 | Confident | 7 Ų | 7 | 40.4 Ų | 40.4 | 5% | 0.047 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -60.9 | -46.2 | 175.3 | -170.8 | 0 | 0 | 0 | 0 | 111.1 | P3235 P3327 E3328 S3333 Q3334 Q3335 Y3339 | P3235-C3331 HydrophobicContact CB-CB 3.96Å; P3235-C3331 HydrophobicContact CG-CB 3.53Å; P3327-C3331 VanDerWaalsContact O-CB 3.26Å; P3327-C3331 WeakPolarHBondContact O-CB 3.23Å; P3327-C3331 PolarHBondContact O-N 3.42Å; E3328-C3331 PolarHBondContact O-N 3.21Å; C3331-S3333 VanDerWaalsContact C-N 3.26Å; C3331-S3333 PolarHBondContact O-N 2.99Å; C3331-Q3334 PolarHBondContact O-N 3.18Å; C3331-Q3334 VanDerWaalsContact O-N 3.09Å; C3331-Q3335 WeakPolarHBondContact O-CB 3.25Å; C3331-Q3335 VanDerWaalsContact O-CG 3.32Å; C3331-Q3335 WeakPolarHBondContact O-CG 3.46Å; C3331-Q3335 PolarHBondContact O-N 2.84Å; C3331-Y3339 HydrophobicContact CB-CD2 4.14Å; C3331-Y3339 HydrophobicContact CB-CE2 3.75Å; C3331-Y3339 VanDerWaalsContact SG-CE2 3.6Å |
| 3332 | A | 88.3 | Confident | 86.9 | Confident | 3 Ų | 3 | 35.4 Ų | 35.4 | 3% | 0.025 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -58.1 | -39.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | E3328 I3329 G3336 Y3339 L3371 S3372 | E3328-A3332 VanDerWaalsContact O-CB 3.32Å; E3328-A3332 WeakPolarHBondContact O-CB 3.35Å; E3328-A3332 PolarHBondContact O-N 3.11Å; I3329-A3332 PolarHBondContact O-N 3.13Å; A3332-G3336 PolarHBondContact O-N 3.1Å; A3332-G3336 VanDerWaalsContact O-N 3.08Å; A3332-Y3339 VanDerWaalsContact CA-CG 3.49Å; A3332-Y3339 HydrophobicContact CB-CD1 3.58Å; A3332-Y3339 HydrophobicContact CB-CD2 4.22Å; A3332-Y3339 HydrophobicContact CB-CE1 3.98Å; A3332-Y3339 HydrophobicContact CB-CG 3.7Å; A3332-L3371 HydrophobicContact CB-CD2 4.2Å; A3332-S3372 WeakPolarHBondContact O-CB 3.5Å |
| 3333 | S | 86.7 | Confident | 87.5 | Confident | 61 Ų | 61 | 32.9 Ų | 32.9 | 43% | 0.427 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -68.3 | -38.3 | 175.1 | -175 | 0 | 0 | 0 | 0 | 113.1 | I3329 L3330 C3331 | I3329-S3333 PolarHBondContact O-N 3.48Å; L3330-S3333 PolarHBondContact O-N 3.43Å; C3331-S3333 VanDerWaalsContact C-N 3.26Å; C3331-S3333 PolarHBondContact O-N 2.99Å |
| 3334 | Q | 88.7 | Confident | 87.9 | Confident | 101 Ų | 101 | 29.9 Ų | 29.9 | 47% | 0.472 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -75.3 | -42.6 | -178.1 | -73.6 | 173.1 | -3.8 | 0 | 0 | 112.4 | L3330 C3331 | L3330-Q3334 WeakPolarHBondContact O-CB 3.3Å; L3330-Q3334 VanDerWaalsContact O-CG 3.29Å; L3330-Q3334 WeakPolarHBondContact O-CG 3.46Å; L3330-Q3334 PolarHBondContact O-N 3.31Å; C3331-Q3334 PolarHBondContact O-N 3.18Å; C3331-Q3334 VanDerWaalsContact O-N 3.09Å |
| 3335 | Q | 89.3 | Confident | 88.1 | Confident | 47 Ų | 47 | 29.4 Ų | 29.4 | 22% | 0.22 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -83.5 | -17.7 | -177.1 | -55.3 | -56.9 | -17.6 | 0 | 0 | 112.7 | F3294 C3331 W3337 R3338 | F3294-Q3335 HydrophobicContact CD2-CB 4.04Å; F3294-Q3335 HydrophobicContact CD2-CG 3.75Å; F3294-Q3335 HydrophobicContact CE2-CB 4.27Å; F3294-Q3335 HydrophobicContact CE2-CG 3.77Å; C3331-Q3335 WeakPolarHBondContact O-CB 3.25Å; C3331-Q3335 VanDerWaalsContact O-CG 3.32Å; C3331-Q3335 WeakPolarHBondContact O-CG 3.46Å; C3331-Q3335 PolarHBondContact O-N 2.84Å; Q3335-W3337 PolarHBondContact O-N 2.85Å; Q3335-R3338 HydrophobicContact CB-CB 4.32Å; Q3335-R3338 PolarHBondContact O-N 3.15Å |
| 3336 | G | 89.3 | Confident | 88.2 | Confident | 18 Ų | 18 | 29.1 Ų | 29.1 | 19% | 0.186 | 15% | 0.154 | C | C | . | . | G | 310 helix | trans | 62.9 | -125.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112 | A3332 R3338 Y3339 | A3332-G3336 PolarHBondContact O-N 3.1Å; A3332-G3336 VanDerWaalsContact O-N 3.08Å; G3336-R3338 PolarHBondContact O-N 3.28Å; G3336-R3338 VanDerWaalsContact O-N 3.08Å; G3336-Y3339 PolarHBondContact O-N 3.11Å |
| 3337 | W | 91.8 | Very high | 87.8 | Confident | 34 Ų | 34 | 27.9 Ų | 27.9 | 13% | 0.129 | 14% | 0.144 | C | C | . | . | G | 310 helix | trans | -61.7 | -17.5 | -178.1 | 63.8 | -97.2 | 0 | 0 | 0 | 114.2 | T3210 H3212 E3261 I3266 V3290 Q3335 Y3339 H3340 D3370 | T3210-W3337 VanDerWaalsContact O-CZ3 3.23Å; T3210-W3337 WeakPolarHBondContact O-CZ3 3.03Å; H3212-W3337 HydrophobicContact CB-CD2 3.82Å; H3212-W3337 HydrophobicContact CB-CE3 3.6Å; H3212-W3337 HydrophobicContact CB-CH2 3.97Å; H3212-W3337 HydrophobicContact CB-CZ2 4.18Å; H3212-W3337 HydrophobicContact CB-CZ3 3.68Å; H3212-W3337 AromaticContact CD2-CD2 3.84Å; H3212-W3337 AromaticContact CD2-CE2 3.38Å; H3212-W3337 AromaticContact CD2-CZ2 3.58Å; H3212-W3337 AromaticContact CD2-NE1 3.52Å; E3261-W3337 HydrophobicContact CG-CZ2 4.24Å; I3266-W3337 HydrophobicContact CG2-CH2 3.95Å; I3266-W3337 HydrophobicContact CG2-CZ2 3.95Å; V3290-W3337 HydrophobicContact CG1-CH2 3.72Å; V3290-W3337 HydrophobicContact CG1-CZ3 3.96Å; Q3335-W3337 PolarHBondContact O-N 2.85Å; W3337-Y3339 VanDerWaalsContact C-N 3.29Å; W3337-Y3339 PolarHBondContact O-N 2.79Å; W3337-H3340 PolarHBondContact O-NE2 3.46Å; W3337-D3370 VanDerWaalsContact CA-CG 3.5Å; W3337-D3370 WeakPolarHBondContact CA-OD1 3.16Å; W3337-D3370 HydrophobicContact CB-CB 4.27Å |
| 3338 | R | 93.5 | Very high | 86.9 | Confident | 40 Ų | 40 | 27.4 Ų | 27.4 | 15% | 0.151 | 14% | 0.14 | C | C | . | . | G | 310 helix | trans | -79.7 | -5.7 | 179.4 | -63.8 | -169.6 | -67.9 | 161.3 | -9.7 | 114.4 | I3293 F3294 Q3335 G3336 | I3293-R3338 WeakPolarHBondContact CG2-O 3.34Å; F3294-R3338 HydrophobicContact CD2-CB 4.38Å; F3294-R3338 PolarHBondContact N-O 3.1Å; Q3335-R3338 HydrophobicContact CB-CB 4.32Å; Q3335-R3338 PolarHBondContact O-N 3.15Å; G3336-R3338 PolarHBondContact O-N 3.28Å; G3336-R3338 VanDerWaalsContact O-N 3.08Å |
| 3339 | Y | 95.2 | Very high | 85.4 | Confident | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 116.4 | -178.5 | -163.2 | -74.1 | 0 | 0 | 0 | 111 | P3235 F3294 E3296 F3324 E3328 C3331 A3332 G3336 W3337 L3371 | P3235-Y3339 VanDerWaalsContact O-CE2 3.29Å; P3235-Y3339 WeakPolarHBondContact O-CE2 3.38Å; P3235-Y3339 PolarHBondContact O-OH 2.94Å; F3294-Y3339 HydrophobicContact CB-CD2 4.1Å; F3294-Y3339 WeakPolarHBondContact O-CA 3.3Å; E3296-Y3339 HydrophobicContact CB-CE1 3.88Å; E3296-Y3339 WeakPolarHBondContact CB-OH 3.3Å; F3324-Y3339 AromaticContact CZ-CE1 3.89Å; F3324-Y3339 HydrophobicContact CZ-CE1 3.89Å; E3328-Y3339 WeakPolarHBondContact CB-OH 3.46Å; C3331-Y3339 HydrophobicContact CB-CD2 4.14Å; C3331-Y3339 HydrophobicContact CB-CE2 3.75Å; C3331-Y3339 VanDerWaalsContact SG-CE2 3.6Å; A3332-Y3339 VanDerWaalsContact CA-CG 3.49Å; A3332-Y3339 HydrophobicContact CB-CD1 3.58Å; A3332-Y3339 HydrophobicContact CB-CD2 4.22Å; A3332-Y3339 HydrophobicContact CB-CE1 3.98Å; A3332-Y3339 HydrophobicContact CB-CG 3.7Å; G3336-Y3339 PolarHBondContact O-N 3.11Å; W3337-Y3339 VanDerWaalsContact C-N 3.29Å; W3337-Y3339 PolarHBondContact O-N 2.79Å; Y3339-L3371 HydrophobicContact CD1-CB 4.42Å; Y3339-L3371 HydrophobicContact CD1-CD2 4.1Å; Y3339-L3371 HydrophobicContact CE1-CD2 4.11Å; Y3339-L3371 PolarHBondContact O-N 2.86Å |
| 3340 | H | 93.9 | Very high | 83.7 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 149.7 | -175.4 | -68 | -169.1 | 0 | 0 | 0 | 110.9 | P3209 F3294 I3295 E3296 W3337 H3367 D3370 | P3209-H3340 PolarHBondContact O-CE1 2.99Å; P3209-H3340 VanDerWaalsContact O-CE1 3.32Å; F3294-H3340 PolarHBondContact O-N 3.03Å; I3295-H3340 WeakPolarHBondContact CA-O 3.47Å; I3295-H3340 HydrophobicContact CG1-CB 4.29Å; E3296-H3340 PolarHBondContact N-O 3.05Å; W3337-H3340 PolarHBondContact O-NE2 3.46Å; H3340-H3367 AromaticContact CG-NE2 3.91Å; H3340-H3367 AromaticContact ND1-NE2 3.33Å; H3340-H3367 PolarHBondContact ND1-NE2 3.47Å; H3340-D3370 PolarHBondContact CD2-N 2.86Å |
| 3341 | L | 92.7 | Very high | 82 | Confident | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 128.8 | 171 | 172 | 59.5 | 0 | 0 | 0 | 110 | E3296 K3298 F3322 F3324 I3368 L3371 I3382 | E3296-L3341 HydrophobicContact CB-CD1 4.42Å; E3296-L3341 HydrophobicContact CG-CD1 4.28Å; K3298-L3341 HydrophobicContact CB-CD1 4.18Å; K3298-L3341 HydrophobicContact CG-CD1 3.75Å; F3322-L3341 HydrophobicContact CE2-CD2 3.79Å; F3322-L3341 HydrophobicContact CZ-CD2 3.74Å; F3324-L3341 HydrophobicContact CE2-CD1 4.08Å; F3324-L3341 HydrophobicContact CE2-CD2 4.27Å; L3341-I3368 HydrophobicContact CB-CB 4.4Å; L3341-I3368 HydrophobicContact CD2-CD1 4.31Å; L3341-I3368 PolarHBondContact N-O 3.49Å; L3341-I3368 VanDerWaalsContact N-O 3.16Å; L3341-I3368 PolarHBondContact O-N 3.06Å; L3341-L3371 HydrophobicContact CB-CD1 4.2Å; L3341-L3371 HydrophobicContact CB-CD2 4.21Å; L3341-L3371 HydrophobicContact CD2-CD1 4.12Å; L3341-I3382 HydrophobicContact CD2-CD1 3.96Å |
| 3342 | L | 91.6 | Very high | 79.9 | Confident | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 114 | 167.6 | -68.9 | 177.1 | 0 | 0 | 0 | 109.7 | W3144 I3182 I3295 E3296 V3297 K3298 V3365 H3367 | W3144-L3342 HydrophobicContact CH2-CD1 4.23Å; W3144-L3342 HydrophobicContact CZ2-CD1 3.75Å; W3144-L3342 HydrophobicContact CZ2-CD2 3.67Å; W3144-L3342 HydrophobicContact CZ2-CG 4.41Å; I3182-L3342 HydrophobicContact CD1-CD1 4.19Å; I3182-L3342 HydrophobicContact CG1-CD1 4.37Å; I3182-L3342 HydrophobicContact CG2-CD1 3.49Å; I3182-L3342 VanDerWaalsContact CG2-CD1 3.49Å; I3295-L3342 HydrophobicContact CG2-CB 4.26Å; I3295-L3342 HydrophobicContact CG2-CD1 3.49Å; I3295-L3342 VanDerWaalsContact CG2-CD1 3.49Å; I3295-L3342 HydrophobicContact CG2-CG 3.72Å; E3296-L3342 PolarHBondContact O-N 2.94Å; V3297-L3342 WeakPolarHBondContact CA-O 3.36Å; V3297-L3342 HydrophobicContact CG2-CB 4.34Å; K3298-L3342 PolarHBondContact N-O 2.89Å; L3342-V3365 HydrophobicContact CD2-CG1 4.27Å; L3342-H3367 HydrophobicContact CD2-CB 3.55Å; L3342-H3367 VanDerWaalsContact CD2-CD2 3.48Å; L3342-H3367 WeakPolarHBondContact CD2-CD2 3.47Å; L3342-H3367 VanDerWaalsContact CD2-CG 3.43Å |
| 3343 | R | 89.4 | Confident | 78 | Confident | 7 Ų | 7 | 42.4 Ų | 42.4 | 3% | 0.026 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 118.6 | 178.5 | 173.2 | 59 | 167.9 | -174 | -1.1 | 109.5 | K3298 T3300 D3320 F3322 I3345 V3365 I3366 | K3298-R3343 WeakPolarHBondContact O-CA 3.44Å; K3298-R3343 VanDerWaalsContact O-CD 3.3Å; K3298-R3343 WeakPolarHBondContact O-CD 3.31Å; T3300-R3343 PolarHBondContact OG1-NH2 2.8Å; D3320-R3343 VanDerWaalsContact CG-NH2 3.29Å; D3320-R3343 IonicContact OD1-CZ 3.44Å; D3320-R3343 IonicContact OD1-NE 3.43Å; D3320-R3343 IonicContact OD1-NH2 2.71Å; D3320-R3343 PolarHBondContact OD1-NH2 2.68Å; D3320-R3343 IonicContact OD2-CZ 3.76Å; D3320-R3343 IonicContact OD2-NE 2.55Å; D3320-R3343 PolarHBondContact OD2-NE 2.93Å; D3320-R3343 IonicContact OD2-NH2 3.58Å; D3320-R3343 PolarHBondContact OD2-NH2 3.49Å; F3322-R3343 VanDerWaalsContact CG-NH1 3.29Å; R3343-I3345 HydrophobicContact CG-CD1 4.28Å; R3343-I3345 HydrophobicContact CG-CG1 4.18Å; R3343-V3365 CarbonylContact O-C 3.59Å; R3343-V3365 WeakPolarHBondContact O-CA 3.32Å; R3343-I3366 HydrophobicContact CB-CB 4.17Å; R3343-I3366 PolarHBondContact N-O 3.43Å; R3343-I3366 PolarHBondContact O-N 2.87Å |
| 3344 | V | 88 | Confident | 76.3 | Confident | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 113.5 | -175.2 | -176.6 | 0 | 0 | 0 | 0 | 110.5 | I3182 V3297 K3298 S3299 T3300 W3346 P3363 V3365 | I3182-V3344 HydrophobicContact CD1-CG2 3.81Å; I3182-V3344 HydrophobicContact CG1-CG2 3.74Å; V3297-V3344 HydrophobicContact CG1-CG2 3.89Å; K3298-V3344 PolarHBondContact O-N 3.15Å; S3299-V3344 CarbonylContact C-O 3.47Å; S3299-V3344 WeakPolarHBondContact CA-O 3.5Å; S3299-V3344 PolarHBondContact OG-O 3.46Å; S3299-V3344 VanDerWaalsContact OG-O 3.1Å; T3300-V3344 PolarHBondContact N-O 2.84Å; V3344-W3346 HydrophobicContact CG1-CZ2 4.13Å; V3344-P3363 HydrophobicContact CG1-CB 3.68Å; V3344-P3363 HydrophobicContact CG1-CG 3.74Å; V3344-V3365 HydrophobicContact CG2-CG2 4.36Å |
| 3345 | I | 83.6 | Confident | 74.4 | Confident | 22 Ų | 22 | 44.2 Ų | 44.2 | 11% | 0.113 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 112.7 | -176.7 | -55.1 | 170.2 | 0 | 0 | 0 | 109 | T3300 D3302 R3343 P3363 K3364 I3366 | T3300-I3345 WeakPolarHBondContact O-CA 3.41Å; D3302-I3345 HydrophobicContact CB-CG2 3.9Å; R3343-I3345 HydrophobicContact CG-CD1 4.28Å; R3343-I3345 HydrophobicContact CG-CG1 4.18Å; I3345-P3363 CarbonylContact O-C 3.6Å; I3345-P3363 WeakPolarHBondContact O-CA 3.22Å; I3345-P3363 WeakPolarHBondContact O-CB 3.43Å; I3345-K3364 HydrophobicContact CB-CB 4.39Å; I3345-K3364 PolarHBondContact N-O 3.03Å; I3345-K3364 PolarHBondContact O-N 2.97Å; I3345-I3366 HydrophobicContact CD1-CD1 4.24Å |
| 3346 | W | 82.9 | Confident | 72.7 | Confident | 6 Ų | 6 | 48.4 Ų | 48.4 | 2% | 0.023 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 128.6 | 178.3 | -62.8 | 93.8 | 0 | 0 | 0 | 110.7 | I3152 L3160 I3174 I3177 Y3181 S3299 T3300 D3302 V3344 I3359 P3363 | I3152-W3346 HydrophobicContact CD1-CZ3 4.32Å; L3160-W3346 HydrophobicContact CD1-CH2 3.96Å; L3160-W3346 HydrophobicContact CD1-CZ3 4.48Å; I3174-W3346 VanDerWaalsContact CD1-CD1 3.41Å; I3174-W3346 HydrophobicContact CD1-CG 3.98Å; I3177-W3346 HydrophobicContact CG2-CH2 3.89Å; I3177-W3346 HydrophobicContact CG2-CZ2 3.3Å; Y3181-W3346 HydrophobicContact CD2-CH2 4.09Å; Y3181-W3346 HydrophobicContact CG-CH2 4.03Å; Y3181-W3346 HydrophobicContact CG-CZ2 4.4Å; S3299-W3346 VanDerWaalsContact OG-CD1 3.24Å; S3299-W3346 PolarHBondContact OG-NE1 3.26Å; T3300-W3346 PolarHBondContact O-N 3.07Å; D3302-W3346 WeakPolarHBondContact CB-O 3.44Å; D3302-W3346 PolarHBondContact N-O 2.79Å; V3344-W3346 HydrophobicContact CG1-CZ2 4.13Å; W3346-I3359 HydrophobicContact CE3-CG1 4.38Å; W3346-I3359 HydrophobicContact CE3-CG2 4.07Å; W3346-I3359 HydrophobicContact CH2-CG2 4.41Å; W3346-I3359 HydrophobicContact CZ3-CD1 4.4Å; W3346-I3359 HydrophobicContact CZ3-CG1 4.4Å; W3346-I3359 HydrophobicContact CZ3-CG2 3.53Å; W3346-P3363 HydrophobicContact CD2-CB 3.86Å; W3346-P3363 HydrophobicContact CD2-CG 4.32Å; W3346-P3363 HydrophobicContact CE3-CB 3.77Å; W3346-P3363 HydrophobicContact CE3-CG 4.02Å; W3346-P3363 HydrophobicContact CG-CB 4.35Å; W3346-P3363 HydrophobicContact CH2-CB 4.35Å; W3346-P3363 HydrophobicContact CH2-CG 3.76Å; W3346-P3363 HydrophobicContact CZ2-CB 4.42Å; W3346-P3363 HydrophobicContact CZ2-CG 4.05Å; W3346-P3363 HydrophobicContact CZ3-CB 4.04Å; W3346-P3363 HydrophobicContact CZ3-CG 3.74Å |
| 3347 | K | 72 | Confident | 71.3 | Confident | 93 Ų | 93 | 48.2 Ų | 48.2 | 40% | 0.404 | 26% | 0.256 | S | S | . | . | trans | -73.5 | 131.2 | 171.1 | -70.8 | -178.7 | 171.9 | -176.4 | 0 | 109.1 | E3148 | E3148-K3347 IonicContact OE1-NZ 2.74Å; E3148-K3347 PolarHBondContact OE1-NZ 3.07Å | ||
| 3348 | N | 61 | Low | 70 | Confident | 14 Ų | 14 | 55.9 Ų | 55.9 | 8% | 0.075 | 29% | 0.285 | C | S | . | . | trans | -108.9 | 139.6 | 170.3 | -160.3 | 27 | 0 | 0 | 0 | 109.9 | V3301 Q3352 | V3301-N3348 HydrophobicContact CG1-CB 3.81Å; N3348-Q3352 PolarHBondContact ND2-O 2.93Å | ||
| 3349 | D | 58 | Low | 68.9 | Low | 102 Ų | 102 | 54.4 Ų | 54.4 | 55% | 0.545 | 28% | 0.28 | S | S | . | . | trans | -69.7 | 137.4 | 172.7 | -104.1 | -32.2 | 0 | 0 | 0 | 109.3 | S3351 Q3352 | D3349-S3351 PolarHBondContact O-N 3.2Å; D3349-Q3352 PolarHBondContact O-N 2.84Å | ||
| 3350 | P | 49.5 | Very low | 67.4 | Low | 87 Ų | 87 | 57.6 Ų | 57.6 | 57% | 0.565 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | -16.6 | -177.5 | 21.7 | -31.4 | 0 | 0 | 0 | 113.8 | N3305 | N3305-P3350 HydrophobicContact CB-CB 4.4Š|
| 3351 | S | 48.2 | Very low | 66.4 | Low | 104 Ų | 104 | 60 Ų | 60 | 73% | 0.727 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.9 | -6.5 | 179.6 | 63.3 | 0 | 0 | 0 | 0 | 114.7 | D3349 | D3349-S3351 PolarHBondContact O-N 3.2Š|
| 3352 | Q | 45.2 | Very low | 65.6 | Low | 42 Ų | 42 | 60.8 Ų | 60.8 | 20% | 0.196 | 34% | 0.336 | C | S | . | . | trans | -100.9 | 114.2 | -178 | -76.9 | 177.4 | 25.2 | 0 | 0 | 111.4 | N3348 D3349 Q3356 M3357 | N3348-Q3352 PolarHBondContact ND2-O 2.93Å; D3349-Q3352 PolarHBondContact O-N 2.84Å; Q3352-Q3356 PolarHBondContact OE1-O 3.46Å; Q3352-M3357 VanDerWaalsContact OE1-CA 3.29Å | ||
| 3353 | D | 48.1 | Very low | 65.2 | Low | 113 Ų | 113 | 61.3 Ų | 61.3 | 60% | 0.604 | 34% | 0.339 | S | S | * | . | trans | -52.5 | 147.5 | 159.2 | -98.2 | -29.1 | 0 | 0 | 0 | 109.7 | C3355 Q3356 M3357 | D3353-C3355 HydrophobicContact CB-CB 4.5Å; D3353-C3355 PolarHBondContact O-N 2.89Å; D3353-Q3356 PolarHBondContact O-N 3.43Å; D3353-M3357 PolarHBondContact O-N 3.18Å | ||
| 3354 | F | 49.9 | Very low | 64.9 | Low | 100 Ų | 100 | 65.8 Ų | 65.8 | 44% | 0.439 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51 | -23.9 | 174.6 | -132.4 | -86.7 | 0 | 0 | 0 | 112.4 | K3170 V3301 Q3356 | K3170-F3354 PolarHBondContact NZ-O 3.06Å; V3301-F3354 HydrophobicContact CB-CE2 4.11Å; V3301-F3354 HydrophobicContact CB-CZ 3.96Å; V3301-F3354 HydrophobicContact CG1-CE2 4.27Å; V3301-F3354 HydrophobicContact CG1-CZ 4.49Å; V3301-F3354 HydrophobicContact CG2-CE1 4.4Å; V3301-F3354 HydrophobicContact CG2-CE2 4.32Å; V3301-F3354 HydrophobicContact CG2-CZ 3.73Å; F3354-Q3356 VanDerWaalsContact C-N 3.32Å; F3354-Q3356 PolarHBondContact O-N 3.1Å |
| 3355 | C | 49.2 | Very low | 64.8 | Low | 100 Ų | 100 | 66.1 Ų | 66.1 | 68% | 0.676 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.1 | -26.1 | 175.8 | -70.7 | 0 | 0 | 0 | 0 | 114.4 | K3170 D3353 | K3170-C3355 VanDerWaalsContact NZ-CA 3.27Å; K3170-C3355 PolarHBondContact NZ-O 3.32Å; D3353-C3355 HydrophobicContact CB-CB 4.5Å; D3353-C3355 PolarHBondContact O-N 2.89Å |
| 3356 | Q | 53.3 | Low | 64.8 | Low | 134 Ų | 134 | 68 Ų | 68 | 63% | 0.626 | 37% | 0.371 | S | S | * | . | S | Bend | trans | -116.3 | 9.7 | -172.7 | -62.4 | -174 | 9.9 | 0 | 0 | 114.5 | Q3352 D3353 F3354 R3358 | Q3352-Q3356 PolarHBondContact OE1-O 3.46Å; D3353-Q3356 PolarHBondContact O-N 3.43Å; F3354-Q3356 VanDerWaalsContact C-N 3.32Å; F3354-Q3356 PolarHBondContact O-N 3.1Å; Q3356-R3358 PolarHBondContact O-N 3.12Å |
| 3357 | M | 60.9 | Low | 65.1 | Low | 15 Ų | 15 | 68 Ų | 68 | 7% | 0.074 | 37% | 0.371 | C | S | . | . | trans | -49 | 125.7 | -179.1 | -170 | -176.1 | 100.2 | 0 | 0 | 111 | L3164 I3174 V3301 Q3352 D3353 I3359 | L3164-M3357 HydrophobicContact CD1-CE 3.63Å; L3164-M3357 HydrophobicContact CD2-CB 4.1Å; L3164-M3357 HydrophobicContact CD2-CE 3.91Å; L3164-M3357 WeakPolarHBondContact CD2-O 3.24Å; L3164-M3357 HydrophobicContact CG-CE 4.46Å; I3174-M3357 HydrophobicContact CD1-CE 3.72Å; V3301-M3357 HydrophobicContact CG1-SD 4.2Å; V3301-M3357 HydrophobicContact CG2-SD 3.77Å; Q3352-M3357 VanDerWaalsContact OE1-CA 3.29Å; D3353-M3357 PolarHBondContact O-N 3.18Å; M3357-I3359 HydrophobicContact CE-CG1 4.21Å | ||
| 3358 | R | 64.7 | Low | 65.9 | Low | 194 Ų | 194 | 64.9 Ų | 64.9 | 73% | 0.732 | 36% | 0.359 | S | S | * | . | trans | -121.3 | 132.2 | 170.8 | -72.6 | -175.4 | 180 | 177.9 | 0.8 | 109.4 | Q3356 G3360 | Q3356-R3358 PolarHBondContact O-N 3.12Å; R3358-G3360 PolarHBondContact O-N 3.22Å; R3358-G3360 VanDerWaalsContact O-N 3.14Å | ||
| 3359 | I | 69.6 | Low | 67 | Low | 9 Ų | 9 | 65.9 Ų | 65.9 | 5% | 0.046 | 37% | 0.366 | C | S | . | . | trans | -78.5 | 103.2 | 178.4 | -62.2 | 166.2 | 0 | 0 | 0 | 107.4 | I3152 T3157 L3160 N3161 I3177 W3346 M3357 | I3152-I3359 HydrophobicContact CD1-CG2 3.76Å; T3157-I3359 WeakPolarHBondContact CG2-O 3.3Å; L3160-I3359 HydrophobicContact CB-CD1 3.62Å; L3160-I3359 HydrophobicContact CD1-CD1 4.47Å; L3160-I3359 HydrophobicContact CD1-CG2 4.24Å; N3161-I3359 PolarHBondContact ND2-O 3.01Å; N3161-I3359 PolarHBondContact OD1-N 2.97Å; I3177-I3359 HydrophobicContact CD1-CD1 4.3Å; I3177-I3359 HydrophobicContact CG2-CD1 3.81Å; W3346-I3359 HydrophobicContact CE3-CG1 4.38Å; W3346-I3359 HydrophobicContact CE3-CG2 4.07Å; W3346-I3359 HydrophobicContact CH2-CG2 4.41Å; W3346-I3359 HydrophobicContact CZ3-CD1 4.4Å; W3346-I3359 HydrophobicContact CZ3-CG1 4.4Å; W3346-I3359 HydrophobicContact CZ3-CG2 3.53Å; M3357-I3359 HydrophobicContact CE-CG1 4.21Å | ||
| 3360 | G | 64.5 | Low | 68.4 | Low | 67 Ų | 67 | 61.9 Ų | 61.9 | 69% | 0.691 | 34% | 0.344 | S | S | * | . | trans | -113.9 | -21.8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | R3358 | R3358-G3360 PolarHBondContact O-N 3.22Å; R3358-G3360 VanDerWaalsContact O-N 3.14Å | ||
| 3361 | S | 71.7 | Confident | 70.2 | Confident | 51 Ų | 51 | 57.8 Ų | 57.8 | 36% | 0.357 | 32% | 0.318 | S | S | . | . | S | Bend | trans | -130.4 | 154.4 | -176.4 | 53.7 | 0 | 0 | 0 | 0 | 111.7 | I3152 | I3152-S3361 WeakPolarHBondContact CD1-O 3.26Š|
| 3362 | A | 75.8 | Confident | 72 | Confident | 17 Ų | 17 | 53.4 Ų | 53.4 | 14% | 0.14 | 29% | 0.287 | C | S | . | . | P | Polyproline II helix | trans | -63 | 137 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | T3150 I3152 | T3150-A3362 WeakPolarHBondContact O-CB 3.42Å; I3152-A3362 HydrophobicContact CG1-CB 4.18Å |
| 3363 | P | 83.7 | Confident | 73.8 | Confident | 10 Ų | 10 | 54.8 Ų | 54.8 | 7% | 0.065 | 30% | 0.296 | C | S | . | . | P | Polyproline II helix | trans | -72.1 | 156.6 | 176.3 | 31.7 | -35.3 | 0 | 0 | 0 | 111 | Y3181 V3344 I3345 W3346 V3365 | Y3181-P3363 HydrophobicContact CD1-CG 3.77Å; Y3181-P3363 HydrophobicContact CD2-CG 4.4Å; Y3181-P3363 HydrophobicContact CE1-CG 3.5Å; Y3181-P3363 HydrophobicContact CE2-CG 4.18Å; Y3181-P3363 HydrophobicContact CG-CG 4.21Å; V3344-P3363 HydrophobicContact CG1-CB 3.68Å; V3344-P3363 HydrophobicContact CG1-CG 3.74Å; I3345-P3363 CarbonylContact O-C 3.6Å; I3345-P3363 WeakPolarHBondContact O-CA 3.22Å; I3345-P3363 WeakPolarHBondContact O-CB 3.43Å; W3346-P3363 HydrophobicContact CD2-CB 3.86Å; W3346-P3363 HydrophobicContact CD2-CG 4.32Å; W3346-P3363 HydrophobicContact CE3-CB 3.77Å; W3346-P3363 HydrophobicContact CE3-CG 4.02Å; W3346-P3363 HydrophobicContact CG-CB 4.35Å; W3346-P3363 HydrophobicContact CH2-CB 4.35Å; W3346-P3363 HydrophobicContact CH2-CG 3.76Å; W3346-P3363 HydrophobicContact CZ2-CB 4.42Å; W3346-P3363 HydrophobicContact CZ2-CG 4.05Å; W3346-P3363 HydrophobicContact CZ3-CB 4.04Å; W3346-P3363 HydrophobicContact CZ3-CG 3.74Å; P3363-V3365 HydrophobicContact CG-CG2 4.49Å |
| 3364 | K | 83.3 | Confident | 75.3 | Confident | 101 Ų | 101 | 51 Ų | 51 | 44% | 0.439 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 124.8 | 168.3 | -178.5 | 179.3 | -179.3 | 179.1 | 0 | 108.9 | I3345 | I3345-K3364 HydrophobicContact CB-CB 4.39Å; I3345-K3364 PolarHBondContact N-O 3.03Å; I3345-K3364 PolarHBondContact O-N 2.97Å |
| 3365 | V | 85.3 | Confident | 76.8 | Confident | 7 Ų | 7 | 48.7 Ų | 48.7 | 4% | 0.042 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 127.3 | 177.8 | -175.3 | 0 | 0 | 0 | 0 | 110 | W3144 Y3181 I3182 L3342 R3343 V3344 P3363 | W3144-V3365 HydrophobicContact CB-CB 4.29Å; W3144-V3365 HydrophobicContact CD2-CB 3.97Å; W3144-V3365 HydrophobicContact CD2-CG1 3.57Å; W3144-V3365 HydrophobicContact CE3-CB 3.86Å; W3144-V3365 HydrophobicContact CE3-CG1 3.71Å; W3144-V3365 HydrophobicContact CE3-CG2 4.05Å; W3144-V3365 HydrophobicContact CG-CB 4.16Å; W3144-V3365 HydrophobicContact CG-CG1 3.98Å; W3144-V3365 HydrophobicContact CH2-CG1 4.49Å; W3144-V3365 HydrophobicContact CZ2-CG1 4.36Å; W3144-V3365 HydrophobicContact CZ3-CG1 4.17Å; W3144-V3365 HydrophobicContact CZ3-CG2 4.45Å; Y3181-V3365 HydrophobicContact CE1-CG2 3.95Å; I3182-V3365 HydrophobicContact CD1-CG1 3.9Å; I3182-V3365 HydrophobicContact CD1-CG2 4.1Å; L3342-V3365 HydrophobicContact CD2-CG1 4.27Å; R3343-V3365 CarbonylContact O-C 3.59Å; R3343-V3365 WeakPolarHBondContact O-CA 3.32Å; V3344-V3365 HydrophobicContact CG2-CG2 4.36Å; P3363-V3365 HydrophobicContact CG-CG2 4.49Å |
| 3366 | I | 85.2 | Confident | 78.2 | Confident | 63 Ų | 63 | 51.9 Ų | 51.9 | 32% | 0.323 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 122.7 | 174.7 | -55.4 | 168.3 | 0 | 0 | 0 | 107.7 | R3343 I3345 I3368 | R3343-I3366 HydrophobicContact CB-CB 4.17Å; R3343-I3366 PolarHBondContact N-O 3.43Å; R3343-I3366 PolarHBondContact O-N 2.87Å; I3345-I3366 HydrophobicContact CD1-CD1 4.24Å; I3366-I3368 HydrophobicContact CG2-CG1 4.44Å |
| 3367 | H | 88.4 | Confident | 79.3 | Confident | 6 Ų | 6 | 52.8 Ų | 52.8 | 3% | 0.028 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 123.2 | 178.9 | -173.1 | -177.1 | 0 | 0 | 0 | 110.7 | W3144 F3208 P3209 H3340 L3342 P3369 | W3144-H3367 AromaticContact NE1-CG 3.66Å; W3144-H3367 AromaticContact NE1-ND1 3.36Å; W3144-H3367 PolarHBondContact NE1-ND1 3.47Å; F3208-H3367 AromaticContact CE2-CE1 3.93Å; F3208-H3367 AromaticContact CZ-CE1 3.75Å; P3209-H3367 WeakPolarHBondContact CG-CE1 3.31Å; H3340-H3367 AromaticContact CG-NE2 3.91Å; H3340-H3367 AromaticContact ND1-NE2 3.33Å; H3340-H3367 PolarHBondContact ND1-NE2 3.47Å; L3342-H3367 HydrophobicContact CD2-CB 3.55Å; L3342-H3367 VanDerWaalsContact CD2-CD2 3.48Å; L3342-H3367 WeakPolarHBondContact CD2-CD2 3.47Å; L3342-H3367 VanDerWaalsContact CD2-CG 3.43Å; H3367-P3369 WeakPolarHBondContact O-CD 3.49Å |
| 3368 | I | 87.8 | Confident | 79.5 | Confident | 27 Ų | 27 | 61 Ų | 61 | 14% | 0.138 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 94.1 | 173.6 | -54.4 | 179.6 | 0 | 0 | 0 | 107.5 | L3341 I3366 L3371 V3374 I3382 | L3341-I3368 HydrophobicContact CB-CB 4.4Å; L3341-I3368 HydrophobicContact CD2-CD1 4.31Å; L3341-I3368 PolarHBondContact N-O 3.49Å; L3341-I3368 VanDerWaalsContact N-O 3.16Å; L3341-I3368 PolarHBondContact O-N 3.06Å; I3366-I3368 HydrophobicContact CG2-CG1 4.44Å; I3368-L3371 HydrophobicContact CG2-CD1 4.2Å; I3368-V3374 HydrophobicContact CG2-CB 4.06Å; I3368-V3374 HydrophobicContact CG2-CG1 4.06Å; I3368-V3374 HydrophobicContact CG2-CG2 3.86Å; I3368-I3382 HydrophobicContact CD1-CB 4.31Å; I3368-I3382 HydrophobicContact CD1-CD1 3.53Å; I3368-I3382 HydrophobicContact CD1-CG2 4.36Å |
| 3369 | P | 84.7 | Confident | 79.4 | Confident | 35 Ų | 35 | 53.2 Ų | 53.2 | 23% | 0.227 | 28% | 0.282 | C | S | . | . | S | Bend | trans | -67.9 | 144 | 168.6 | 28.7 | -32.1 | 0 | 0 | 0 | 109.5 | P3209 H3367 | P3209-P3369 HydrophobicContact CB-CB 4.14Å; P3209-P3369 HydrophobicContact CG-CB 4.11Å; P3209-P3369 HydrophobicContact CG-CG 4.49Å; H3367-P3369 WeakPolarHBondContact O-CD 3.49Å |
| 3370 | D | 87.1 | Confident | 78.8 | Confident | 17 Ų | 17 | 58.5 Ų | 58.5 | 9% | 0.091 | 31% | 0.314 | C | S | . | . | S | Bend | trans | 51.1 | 66.3 | -177.5 | -173 | -0.8 | 0 | 0 | 0 | 113.5 | W3337 H3340 S3372 N3373 V3374 | W3337-D3370 VanDerWaalsContact CA-CG 3.5Å; W3337-D3370 WeakPolarHBondContact CA-OD1 3.16Å; W3337-D3370 HydrophobicContact CB-CB 4.27Å; H3340-D3370 PolarHBondContact CD2-N 2.86Å; D3370-S3372 PolarHBondContact O-N 3.33Å; D3370-S3372 VanDerWaalsContact O-N 3.15Å; D3370-N3373 PolarHBondContact O-N 3.13Å; D3370-N3373 WeakPolarHBondContact OD1-CB 3.02Å; D3370-N3373 PolarHBondContact OD1-N 2.93Å; D3370-N3373 VanDerWaalsContact OD2-CB 3.31Å; D3370-N3373 WeakPolarHBondContact OD2-CB 2.99Å; D3370-N3373 VanDerWaalsContact OD2-CG 3.31Å; D3370-N3373 PolarHBondContact OD2-ND2 3.35Å; D3370-V3374 WeakPolarHBondContact O-CG2 3.33Å; D3370-V3374 PolarHBondContact O-N 3.1Å |
| 3371 | L | 88.6 | Confident | 78.7 | Confident | 2 Ų | 2 | 60.1 Ų | 60.1 | 1% | 0.01 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -54.8 | -36.4 | -179.4 | 180 | 65.4 | 0 | 0 | 0 | 111.9 | F3324 A3332 Y3339 L3341 I3368 V3374 L3375 I3382 | F3324-L3371 HydrophobicContact CE1-CD2 4.04Å; F3324-L3371 HydrophobicContact CE2-CD2 3.93Å; F3324-L3371 HydrophobicContact CZ-CD2 3.35Å; A3332-L3371 HydrophobicContact CB-CD2 4.2Å; Y3339-L3371 HydrophobicContact CD1-CB 4.42Å; Y3339-L3371 HydrophobicContact CD1-CD2 4.1Å; Y3339-L3371 HydrophobicContact CE1-CD2 4.11Å; Y3339-L3371 PolarHBondContact O-N 2.86Å; L3341-L3371 HydrophobicContact CB-CD1 4.2Å; L3341-L3371 HydrophobicContact CB-CD2 4.21Å; L3341-L3371 HydrophobicContact CD2-CD1 4.12Å; I3368-L3371 HydrophobicContact CG2-CD1 4.2Å; L3371-V3374 PolarHBondContact O-N 3.22Å; L3371-L3375 HydrophobicContact CD1-CD1 4.05Å; L3371-L3375 HydrophobicContact CD1-CG 4.06Å; L3371-L3375 HydrophobicContact CD2-CD1 4.39Å; L3371-L3375 HydrophobicContact CG-CD1 3.86Å; L3371-L3375 HydrophobicContact CG-CG 4.27Å; L3371-L3375 WeakPolarHBondContact O-CB 3.39Å; L3371-L3375 VanDerWaalsContact O-CG 3.31Å; L3371-L3375 WeakPolarHBondContact O-CG 3.23Å; L3371-L3375 PolarHBondContact O-N 2.87Å; L3371-I3382 HydrophobicContact CD1-CD1 4.07Å |
| 3372 | S | 84.8 | Confident | 78.8 | Confident | 11 Ų | 11 | 58.8 Ų | 58.8 | 8% | 0.077 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -61.3 | -50.9 | -177.7 | -167.2 | 0 | 0 | 0 | 0 | 112 | A3332 D3370 L3375 R3376 | A3332-S3372 WeakPolarHBondContact O-CB 3.5Å; D3370-S3372 PolarHBondContact O-N 3.33Å; D3370-S3372 VanDerWaalsContact O-N 3.15Å; S3372-L3375 PolarHBondContact O-N 3.15Å; S3372-R3376 VanDerWaalsContact O-CG 3.26Å; S3372-R3376 WeakPolarHBondContact O-CG 3.42Å; S3372-R3376 PolarHBondContact O-N 3.17Å |
| 3373 | N | 82.5 | Confident | 78.8 | Confident | 71 Ų | 71 | 66.5 Ų | 66.5 | 38% | 0.38 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -69.2 | -36.7 | 178.2 | -81.5 | -29.3 | 0 | 0 | 0 | 112.4 | D3370 L3375 R3376 Q3377 | D3370-N3373 PolarHBondContact O-N 3.13Å; D3370-N3373 WeakPolarHBondContact OD1-CB 3.02Å; D3370-N3373 PolarHBondContact OD1-N 2.93Å; D3370-N3373 VanDerWaalsContact OD2-CB 3.31Å; D3370-N3373 WeakPolarHBondContact OD2-CB 2.99Å; D3370-N3373 VanDerWaalsContact OD2-CG 3.31Å; D3370-N3373 PolarHBondContact OD2-ND2 3.35Å; N3373-L3375 VanDerWaalsContact C-N 3.33Å; N3373-L3375 PolarHBondContact O-N 2.99Å; N3373-R3376 PolarHBondContact O-N 2.76Å; N3373-Q3377 WeakPolarHBondContact O-CB 3.35Å; N3373-Q3377 WeakPolarHBondContact O-CG 3.5Å; N3373-Q3377 PolarHBondContact O-N 2.87Å |
| 3374 | V | 81 | Confident | 78.4 | Confident | 35 Ų | 35 | 70.9 Ų | 70.9 | 21% | 0.212 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -61.8 | -42.2 | 177.7 | 176.4 | 0 | 0 | 0 | 0 | 111.2 | I3368 D3370 L3371 I3382 | I3368-V3374 HydrophobicContact CG2-CB 4.06Å; I3368-V3374 HydrophobicContact CG2-CG1 4.06Å; I3368-V3374 HydrophobicContact CG2-CG2 3.86Å; D3370-V3374 WeakPolarHBondContact O-CG2 3.33Å; D3370-V3374 PolarHBondContact O-N 3.1Å; L3371-V3374 PolarHBondContact O-N 3.22Å; V3374-I3382 HydrophobicContact CG1-CG2 3.46Å; V3374-I3382 VanDerWaalsContact CG1-CG2 3.46Å |
| 3375 | L | 81.1 | Confident | 77.9 | Confident | 51 Ų | 51 | 70.5 Ų | 70.5 | 27% | 0.267 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -67.3 | -39 | 175.1 | -70.9 | 175.5 | 0 | 0 | 0 | 112 | L3371 S3372 N3373 K3378 I3382 L3384 | L3371-L3375 HydrophobicContact CD1-CD1 4.05Å; L3371-L3375 HydrophobicContact CD1-CG 4.06Å; L3371-L3375 HydrophobicContact CD2-CD1 4.39Å; L3371-L3375 HydrophobicContact CG-CD1 3.86Å; L3371-L3375 HydrophobicContact CG-CG 4.27Å; L3371-L3375 WeakPolarHBondContact O-CB 3.39Å; L3371-L3375 VanDerWaalsContact O-CG 3.31Å; L3371-L3375 WeakPolarHBondContact O-CG 3.23Å; L3371-L3375 PolarHBondContact O-N 2.87Å; S3372-L3375 PolarHBondContact O-N 3.15Å; N3373-L3375 VanDerWaalsContact C-N 3.33Å; N3373-L3375 PolarHBondContact O-N 2.99Å; L3375-K3378 PolarHBondContact O-N 3.47Å; L3375-I3382 HydrophobicContact CD2-CG1 4.34Å; L3375-I3382 HydrophobicContact CD2-CG2 4.26Å; L3375-L3384 HydrophobicContact CD2-CB 4.34Å |
| 3376 | R | 79.3 | Confident | 77 | Confident | 167 Ų | 167 | 77.7 Ų | 77.7 | 63% | 0.63 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -67.3 | -37.7 | 178.5 | -74.5 | 172.2 | -175.1 | -97.7 | -1.1 | 113.3 | S3372 N3373 K3378 | S3372-R3376 VanDerWaalsContact O-CG 3.26Å; S3372-R3376 WeakPolarHBondContact O-CG 3.42Å; S3372-R3376 PolarHBondContact O-N 3.17Å; N3373-R3376 PolarHBondContact O-N 2.76Å; R3376-K3378 PolarHBondContact O-N 2.9Å; R3376-K3378 VanDerWaalsContact O-N 3.15Å |
| 3377 | Q | 75.1 | Confident | 75.7 | Confident | 152 Ų | 152 | 78.2 Ų | 78.2 | 71% | 0.71 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.3 | 1.4 | -179.4 | -71.8 | 179.9 | 7 | 0 | 0 | 113.7 | N3373 S3379 | N3373-Q3377 WeakPolarHBondContact O-CB 3.35Å; N3373-Q3377 WeakPolarHBondContact O-CG 3.5Å; N3373-Q3377 PolarHBondContact O-N 2.87Å; Q3377-S3379 VanDerWaalsContact C-N 3.26Å; Q3377-S3379 PolarHBondContact O-N 3Å |
| 3378 | K | 64.5 | Low | 73.9 | Confident | 187 Ų | 187 | 84.9 Ų | 84.9 | 81% | 0.813 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.2 | 48.1 | -174.7 | -63.5 | -175.7 | 178.1 | 179.8 | 0 | 111.5 | L3375 R3376 | L3375-K3378 PolarHBondContact O-N 3.47Å; R3376-K3378 PolarHBondContact O-N 2.9Å; R3376-K3378 VanDerWaalsContact O-N 3.15Å |
| 3379 | S | 63.4 | Low | 71.8 | Confident | 32 Ų | 32 | 90.7 Ų | 90.7 | 22% | 0.224 | 47% | 0.469 | C | S | . | . | trans | -51.3 | 144.6 | 176.4 | 179 | 0 | 0 | 0 | 0 | 111.3 | Q3377 N3381 | Q3377-S3379 VanDerWaalsContact C-N 3.26Å; Q3377-S3379 PolarHBondContact O-N 3Å; S3379-N3381 PolarHBondContact O-N 3.14Å; S3379-N3381 PolarHBondContact OG-N 3.11Å | ||
| 3380 | V | 56.4 | Low | 69.7 | Low | 119 Ų | 119 | 97 Ų | 97 | 72% | 0.721 | 49% | 0.488 | S | S | * | . | S | Bend | trans | -68 | -20.9 | 178.5 | -163.3 | 0 | 0 | 0 | 0 | 111.1 | ||
| 3381 | N | 64 | Low | 67.6 | Low | 102 Ų | 102 | 100.4 Ų | 100.4 | 55% | 0.545 | 51% | 0.513 | S | S | . | . | S | Bend | trans | -95.8 | -26.8 | -165 | -57.6 | -28.9 | 0 | 0 | 0 | 114.5 | V3137 S3379 | V3137-N3381 HydrophobicContact CG2-CB 4.39Å; V3137-N3381 VanDerWaalsContact CG2-CG 3.5Å; V3137-N3381 VanDerWaalsContact CG2-ND2 3.3Å; V3137-N3381 WeakPolarHBondContact CG2-ND2 3.31Å; S3379-N3381 PolarHBondContact O-N 3.14Å; S3379-N3381 PolarHBondContact OG-N 3.11Å |
| 3382 | I | 73.9 | Confident | 65.3 | Low | 23 Ų | 23 | 108.2 Ų | 108.2 | 12% | 0.118 | 55% | 0.55 | C | S | . | . | trans | -134.6 | 131.6 | 175.4 | -170.8 | 165.3 | 0 | 0 | 0 | 109.2 | F3322 L3341 I3368 L3371 V3374 L3375 | F3322-I3382 HydrophobicContact CZ-CD1 4.07Å; L3341-I3382 HydrophobicContact CD2-CD1 3.96Å; I3368-I3382 HydrophobicContact CD1-CB 4.31Å; I3368-I3382 HydrophobicContact CD1-CD1 3.53Å; I3368-I3382 HydrophobicContact CD1-CG2 4.36Å; L3371-I3382 HydrophobicContact CD1-CD1 4.07Å; V3374-I3382 HydrophobicContact CG1-CG2 3.46Å; V3374-I3382 VanDerWaalsContact CG1-CG2 3.46Å; L3375-I3382 HydrophobicContact CD2-CG1 4.34Å; L3375-I3382 HydrophobicContact CD2-CG2 4.26Å | ||
| 3383 | R | 74 | Confident | 63 | Low | 179 Ų | 179 | 118.9 Ų | 118.9 | 68% | 0.675 | 59% | 0.589 | S | S | * | * | trans | -130.8 | 132.1 | 179.7 | -65.7 | -176 | -179.6 | -173.3 | -1 | 109.2 | C3385 | R3383-C3385 PolarHBondContact O-N 2.93Š| ||
| 3384 | L | 76.6 | Confident | 60.7 | Low | 102 Ų | 102 | 123.7 Ų | 123.7 | 53% | 0.534 | 61% | 0.612 | S | S | . | * | trans | -78.2 | 117 | 170.2 | -175.3 | 65.1 | 0 | 0 | 0 | 108.7 | I3329 L3375 | I3329-L3384 HydrophobicContact CD1-CD1 3.79Å; I3329-L3384 HydrophobicContact CG1-CD1 4.36Å; L3375-L3384 HydrophobicContact CD2-CB 4.34Å | ||
| 3385 | C | 71.7 | Confident | 58.4 | Low | 92 Ų | 92 | 133.4 Ų | 133.4 | 62% | 0.622 | 65% | 0.652 | S | S | * | * | trans | -110.2 | 128.4 | 178.8 | -67.3 | 0 | 0 | 0 | 0 | 109.2 | R3383 | R3383-C3385 PolarHBondContact O-N 2.93Š| ||
| 3386 | L | 67.1 | Low | 57.2 | Low | 158 Ų | 158 | 137.6 Ų | 137.6 | 83% | 0.827 | 67% | 0.671 | S | S | * | * | trans | -91.1 | 111.6 | 173.1 | -73.7 | 153.5 | 0 | 0 | 0 | 108.6 | L3388 | L3386-L3388 PolarHBondContact O-N 3.04Š| ||
| 3387 | A | 58.1 | Low | 56.1 | Low | 75 Ų | 75 | 136 Ų | 136 | 62% | 0.62 | 67% | 0.673 | S | S | * | * | trans | -75.3 | 113.9 | 169.4 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 3388 | L | 50.4 | Low | 55 | Low | 146 Ų | 146 | 135.1 Ų | 135.1 | 76% | 0.764 | 67% | 0.671 | S | S | * | * | trans | -101.8 | 113 | 171.5 | -73 | 164.5 | 0 | 0 | 0 | 107.2 | L3386 R3390 | L3386-L3388 PolarHBondContact O-N 3.04Å; L3388-R3390 PolarHBondContact O-N 3.14Å; L3388-R3390 VanDerWaalsContact O-N 3.09Å | ||
| 3389 | L | 43.5 | Very low | 54.4 | Low | 149 Ų | 149 | 132.1 Ų | 132.1 | 78% | 0.78 | 66% | 0.663 | S | S | * | * | trans | -59.8 | 115 | 174.4 | -145 | 96.4 | 0 | 0 | 0 | 108.5 | S3391 | L3389-S3391 PolarHBondContact O-N 3.42Š| ||
| 3390 | R | 40.7 | Very low | 53.9 | Low | 167 Ų | 167 | 138.3 Ų | 138.3 | 63% | 0.63 | 69% | 0.69 | S | S | * | * | trans | -77.2 | 102.5 | 170 | -102.1 | -177.1 | 166.5 | 164.1 | -5.4 | 107.6 | I3124 L3388 E3392 | I3124-R3390 VanDerWaalsContact CD1-NH1 3.32Å; L3388-R3390 PolarHBondContact O-N 3.14Å; L3388-R3390 VanDerWaalsContact O-N 3.09Å; R3390-E3392 PolarHBondContact O-N 3.23Å | ||
| 3391 | S | 43.7 | Very low | 53.7 | Low | 89 Ų | 89 | 139.6 Ų | 139.6 | 62% | 0.622 | 69% | 0.688 | S | S | * | * | trans | -62.1 | 118.8 | 166.6 | 49.8 | 0 | 0 | 0 | 0 | 109.1 | L3389 W3393 | L3389-S3391 PolarHBondContact O-N 3.42Å; S3391-W3393 PolarHBondContact O-N 3.24Å | ||
| 3392 | E | 39.7 | Very low | 53 | Low | 166 Ų | 166 | 142.3 Ų | 142.3 | 78% | 0.776 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -68.9 | 48.8 | 173.8 | -74.7 | -160.3 | 137.4 | 0 | 0 | 112.8 | R3390 I3394 | R3390-E3392 PolarHBondContact O-N 3.23Å; E3392-I3394 VanDerWaalsContact C-N 3.34Å |
| 3393 | W | 36 | Very low | 51.4 | Low | 235 Ų | 235 | 151.5 Ų | 151.5 | 89% | 0.89 | 74% | 0.743 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.2 | 12.1 | 173.3 | -95.3 | 14.5 | 0 | 0 | 0 | 113.5 | S3391 | S3391-W3393 PolarHBondContact O-N 3.24Š|
| 3394 | I | 34.6 | Very low | 49.5 | Very low | 171 Ų | 171 | 149.2 Ų | 149.2 | 88% | 0.877 | 75% | 0.749 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.9 | 12.5 | 173.1 | -56.3 | 172.8 | 0 | 0 | 0 | 111.1 | E3392 | E3392-I3394 VanDerWaalsContact C-N 3.34Š|
| 3395 | K | 31.9 | Very low | 47 | Very low | 240 Ų | 240 | 153.5 Ų | 153.5 | 100% | 1.043 | 77% | 0.768 | S | S | * | * | trans | -115.3 | 0 | 157.6 | -85.6 | -177.4 | 177.8 | 172.5 | 0 | 108.2 |
Retrieved 3,395 of 3,395 residues in 1361.5 ms
(Link to these results)