| 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 | 41.9 | Very low | 59.1 | Low | 248 Ų | 248 | 132.4 Ų | 132.4 | 100% | 1.222 | 76% | 0.757 | S | S | * | * | 0 | 89.7 | 0 | -74.4 | 178.8 | 172.7 | 0 | 0 | 107.6 | |||||
| 2 | L | 43.2 | Very low | 61.5 | Low | 174 Ų | 174 | 130.6 Ų | 130.6 | 91% | 0.911 | 75% | 0.75 | S | S | * | * | trans | -88.2 | 128.3 | 173 | -85.4 | 151.7 | 0 | 0 | 0 | 107.7 | S4 | L2-S4 PolarHBondContact O-N 2.86Š| ||
| 3 | P | 46.2 | Very low | 63.5 | Low | 104 Ų | 104 | 126.7 Ų | 126.7 | 68% | 0.675 | 74% | 0.735 | S | S | * | * | trans | -68.7 | 133.3 | -176.6 | 29.8 | -32.9 | 0 | 0 | 0 | 109.5 | Q5 | P3-Q5 PolarHBondContact O-N 3.47Š| ||
| 4 | S | 42.3 | Very low | 65.2 | Low | 118 Ų | 118 | 128.3 Ų | 128.3 | 83% | 0.825 | 72% | 0.723 | S | S | * | * | trans | -57.4 | 97.7 | 172.2 | 52.5 | 0 | 0 | 0 | 0 | 110.3 | L2 S6 | L2-S4 PolarHBondContact O-N 2.86Å; S4-S6 PolarHBondContact O-N 2.84Å | ||
| 5 | Q | 49.9 | Very low | 66.7 | Low | 177 Ų | 177 | 125.4 Ų | 125.4 | 83% | 0.827 | 70% | 0.704 | S | S | * | * | trans | -76.9 | 100.6 | 171.2 | -71.8 | -177.1 | -3.3 | 0 | 0 | 108.3 | P3 | P3-Q5 PolarHBondContact O-N 3.47Š| ||
| 6 | S | 51.6 | Low | 68.2 | Low | 105 Ų | 105 | 119 Ų | 119 | 73% | 0.734 | 67% | 0.668 | S | S | * | * | trans | -54 | 129.5 | 162.4 | -61.8 | 0 | 0 | 0 | 0 | 108.4 | S4 A8 | S4-S6 PolarHBondContact O-N 2.84Å; S6-A8 PolarHBondContact O-N 3.24Å | ||
| 7 | P | 59.2 | Low | 69.4 | Low | 116 Ų | 116 | 117.4 Ų | 117.4 | 75% | 0.753 | 65% | 0.654 | S | S | * | * | trans | -63.4 | 111.1 | -177.5 | 24.4 | -31.8 | 0 | 0 | 0 | 109 | I9 | P7-I9 PolarHBondContact O-N 2.82Å; P7-I9 VanDerWaalsContact O-N 3.1Å | ||
| 8 | A | 68.9 | Low | 70.4 | Confident | 74 Ų | 74 | 113.8 Ų | 113.8 | 61% | 0.612 | 64% | 0.636 | S | S | * | * | trans | -67.8 | 107.6 | 172.5 | 0 | 0 | 0 | 0 | 0 | 108.2 | S6 F10 | S6-A8 PolarHBondContact O-N 3.24Å; A8-F10 HydrophobicContact CB-CD2 4.44Å; A8-F10 HydrophobicContact CB-CE2 3.97Å; A8-F10 VanDerWaalsContact O-CD2 3.29Å; A8-F10 WeakPolarHBondContact O-CD2 3.33Å; A8-F10 PolarHBondContact O-N 3.36Å | ||
| 9 | I | 79.8 | Confident | 71.4 | Confident | 156 Ų | 156 | 110.6 Ų | 110.6 | 80% | 0.8 | 62% | 0.619 | S | S | * | * | trans | -76 | 110.8 | 177.7 | -59.6 | 170.6 | 0 | 0 | 0 | 107.9 | P7 | P7-I9 PolarHBondContact O-N 2.82Å; P7-I9 VanDerWaalsContact O-N 3.1Å | ||
| 10 | F | 80.9 | Confident | 72.2 | Confident | 94 Ų | 94 | 108.7 Ų | 108.7 | 41% | 0.412 | 60% | 0.602 | S | S | . | * | trans | -87.1 | 141.3 | 174.2 | -77.6 | -98.5 | 0 | 0 | 0 | 110.8 | A8 R14 L15 | A8-F10 HydrophobicContact CB-CD2 4.44Å; A8-F10 HydrophobicContact CB-CE2 3.97Å; A8-F10 VanDerWaalsContact O-CD2 3.29Å; A8-F10 WeakPolarHBondContact O-CD2 3.33Å; A8-F10 PolarHBondContact O-N 3.36Å; F10-R14 HydrophobicContact CD1-CB 4.18Å; F10-R14 HydrophobicContact CD1-CG 3.78Å; F10-R14 HydrophobicContact CE1-CG 4.14Å; F10-L15 HydrophobicContact CB-CB 4.34Å | ||
| 11 | T | 86.4 | Confident | 72.9 | Confident | 90 Ų | 90 | 108.3 Ų | 108.3 | 55% | 0.552 | 60% | 0.598 | S | S | * | * | trans | -79.4 | 153.8 | 159.2 | 62.7 | 0 | 0 | 0 | 0 | 109 | S13 R14 L15 | T11-S13 PolarHBondContact O-N 3.02Å; T11-R14 PolarHBondContact O-N 3.41Å; T11-R14 VanDerWaalsContact OG1-CB 3.27Å; T11-R14 WeakPolarHBondContact OG1-CB 3.34Å; T11-R14 PolarHBondContact OG1-N 3.05Å; T11-L15 PolarHBondContact O-N 3.12Å | ||
| 12 | V | 87.6 | Confident | 75.1 | Confident | 111 Ų | 111 | 101.3 Ų | 101.3 | 67% | 0.673 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -53.7 | -42.4 | 178 | -179.1 | 0 | 0 | 0 | 0 | 111.1 | L15 N16 | V12-L15 PolarHBondContact O-N 2.75Å; V12-N16 PolarHBondContact O-N 2.81Å |
| 13 | S | 87.3 | Confident | 77.2 | Confident | 80 Ų | 80 | 95.2 Ų | 95.2 | 56% | 0.559 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -63.2 | -43.4 | 176.7 | -45.9 | 0 | 0 | 0 | 0 | 112.6 | T11 L15 N16 Q17 | T11-S13 PolarHBondContact O-N 3.02Å; S13-L15 VanDerWaalsContact C-N 3.35Å; S13-N16 PolarHBondContact O-N 3.01Å; S13-Q17 WeakPolarHBondContact O-CB 3.26Å; S13-Q17 WeakPolarHBondContact O-CG 3.2Å; S13-Q17 PolarHBondContact O-N 2.72Å |
| 14 | R | 87.5 | Confident | 79.1 | Confident | 149 Ų | 149 | 94 Ų | 94 | 56% | 0.562 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -66.7 | -38.5 | 178.7 | -171.4 | -179.8 | -178.5 | 170.8 | 1.4 | 111.3 | F10 T11 T18 | F10-R14 HydrophobicContact CD1-CB 4.18Å; F10-R14 HydrophobicContact CD1-CG 3.78Å; F10-R14 HydrophobicContact CE1-CG 4.14Å; T11-R14 PolarHBondContact O-N 3.41Å; T11-R14 VanDerWaalsContact OG1-CB 3.27Å; T11-R14 WeakPolarHBondContact OG1-CB 3.34Å; T11-R14 PolarHBondContact OG1-N 3.05Å; R14-T18 WeakPolarHBondContact O-CB 3.45Å; R14-T18 PolarHBondContact O-N 2.94Å; R14-T18 PolarHBondContact O-OG1 3.24Å |
| 15 | L | 87.9 | Confident | 81 | Confident | 85 Ų | 85 | 96 Ų | 96 | 45% | 0.445 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -60.2 | -54.5 | 174.9 | -178.4 | 67 | 0 | 0 | 0 | 110.3 | F10 T11 V12 S13 Q17 T18 V19 | F10-L15 HydrophobicContact CB-CB 4.34Å; T11-L15 PolarHBondContact O-N 3.12Å; V12-L15 PolarHBondContact O-N 2.75Å; S13-L15 VanDerWaalsContact C-N 3.35Å; L15-Q17 VanDerWaalsContact C-N 3.35Å; L15-Q17 PolarHBondContact O-N 3.14Å; L15-T18 PolarHBondContact O-N 2.9Å; L15-T18 VanDerWaalsContact O-N 3.12Å; L15-V19 HydrophobicContact CD1-CG2 4.4Å; L15-V19 WeakPolarHBondContact O-CG2 3.32Å; L15-V19 PolarHBondContact O-N 2.83Å |
| 16 | N | 90.7 | Very high | 82.6 | Confident | 23 Ų | 23 | 94.5 Ų | 94.5 | 12% | 0.123 | 51% | 0.507 | C | S | . | . | H | α-helix | trans | -61 | -41.5 | -178.6 | -72.7 | -3.8 | 0 | 0 | 0 | 112.4 | V12 S13 T18 V19 R20 L88 E90 | V12-N16 PolarHBondContact O-N 2.81Å; S13-N16 PolarHBondContact O-N 3.01Å; N16-T18 PolarHBondContact O-N 2.82Å; N16-V19 PolarHBondContact O-N 2.75Å; N16-R20 WeakPolarHBondContact O-CB 3.33Å; N16-R20 PolarHBondContact O-N 3.19Å; N16-L88 HydrophobicContact CB-CD2 3.87Å; N16-E90 PolarHBondContact ND2-O 3.16Å |
| 17 | Q | 88.5 | Confident | 84.1 | Confident | 92 Ų | 92 | 94.3 Ų | 94.3 | 43% | 0.43 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -60.7 | -43.5 | 174.1 | -82.1 | 174 | -5.4 | 0 | 0 | 112.6 | S13 L15 R20 L21 E90 | S13-Q17 WeakPolarHBondContact O-CB 3.26Å; S13-Q17 WeakPolarHBondContact O-CG 3.2Å; S13-Q17 PolarHBondContact O-N 2.72Å; L15-Q17 VanDerWaalsContact C-N 3.35Å; L15-Q17 PolarHBondContact O-N 3.14Å; Q17-R20 PolarHBondContact O-N 3.35Å; Q17-L21 WeakPolarHBondContact O-CG 3.32Å; Q17-L21 PolarHBondContact O-N 2.8Å; Q17-L21 VanDerWaalsContact O-N 3.11Å; Q17-E90 WeakPolarHBondContact CG-OE1 3.42Å |
| 18 | T | 86.8 | Confident | 85.1 | Confident | 53 Ų | 53 | 90.3 Ų | 90.3 | 33% | 0.325 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -66.1 | -43.5 | -179.9 | -53.3 | 0 | 0 | 0 | 0 | 110.8 | R14 L15 N16 L21 L22 | R14-T18 WeakPolarHBondContact O-CB 3.45Å; R14-T18 PolarHBondContact O-N 2.94Å; R14-T18 PolarHBondContact O-OG1 3.24Å; L15-T18 PolarHBondContact O-N 2.9Å; L15-T18 VanDerWaalsContact O-N 3.12Å; N16-T18 PolarHBondContact O-N 2.82Å; T18-L21 PolarHBondContact O-N 2.97Å; T18-L22 HydrophobicContact CG2-CD1 4.13Å; T18-L22 PolarHBondContact O-N 2.99Å |
| 19 | V | 89.5 | Confident | 86 | Confident | 52 Ų | 52 | 91.2 Ų | 91.2 | 32% | 0.315 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -64.9 | -41.4 | 177.3 | 177.8 | 0 | 0 | 0 | 0 | 111.2 | L15 N16 L21 L22 L23 L88 | L15-V19 HydrophobicContact CD1-CG2 4.4Å; L15-V19 WeakPolarHBondContact O-CG2 3.32Å; L15-V19 PolarHBondContact O-N 2.83Å; N16-V19 PolarHBondContact O-N 2.75Å; V19-L21 PolarHBondContact O-N 3.38Å; V19-L22 PolarHBondContact O-N 3.06Å; V19-L23 HydrophobicContact CG1-CD1 3.94Å; V19-L23 HydrophobicContact CG1-CG 4.35Å; V19-L23 WeakPolarHBondContact O-CG 3.45Å; V19-L23 PolarHBondContact O-N 2.93Å; V19-L88 HydrophobicContact CB-CD1 4.33Å; V19-L88 HydrophobicContact CG1-CD1 3.74Å |
| 20 | R | 87.3 | Confident | 86.4 | Confident | 73 Ų | 73 | 85.2 Ų | 85.2 | 28% | 0.275 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -57.1 | -50 | 175.5 | -172 | -170.7 | 74.3 | -160.5 | -12.6 | 111.3 | N16 Q17 L22 L23 E24 L88 E90 | N16-R20 WeakPolarHBondContact O-CB 3.33Å; N16-R20 PolarHBondContact O-N 3.19Å; Q17-R20 PolarHBondContact O-N 3.35Å; R20-L22 PolarHBondContact O-N 3.43Å; R20-L23 PolarHBondContact O-N 3.35Å; R20-E24 HydrophobicContact CG-CG 4.42Å; R20-E24 WeakPolarHBondContact CG-OE1 3.31Å; R20-E24 IonicContact NE-OE1 2.63Å; R20-E24 IonicContact NE-OE2 3.77Å; R20-E24 WeakPolarHBondContact O-CB 3.45Å; R20-E24 WeakPolarHBondContact O-CG 3.42Å; R20-E24 PolarHBondContact O-N 3.39Å; R20-L88 HydrophobicContact CB-CB 4.14Å; R20-L88 HydrophobicContact CG-CB 4.39Å; R20-E90 IonicContact CZ-OE1 3.23Å; R20-E90 IonicContact NE-OE1 3.6Å; R20-E90 IonicContact NH1-OE1 3.88Å; R20-E90 PolarHBondContact NH1-OE1 3.43Å; R20-E90 IonicContact NH1-OE2 3.47Å; R20-E90 IonicContact NH2-OE1 2.93Å; R20-E90 PolarHBondContact NH2-OE1 3.24Å |
| 21 | L | 87.1 | Confident | 86.8 | Confident | 101 Ų | 101 | 87.1 Ų | 87.1 | 53% | 0.529 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -63.3 | -39.7 | -178.6 | -72.7 | 170.1 | 0 | 0 | 0 | 112.5 | Q17 T18 V19 H25 | Q17-L21 WeakPolarHBondContact O-CG 3.32Å; Q17-L21 PolarHBondContact O-N 2.8Å; Q17-L21 VanDerWaalsContact O-N 3.11Å; T18-L21 PolarHBondContact O-N 2.97Å; V19-L21 PolarHBondContact O-N 3.38Å; L21-H25 VanDerWaalsContact O-CB 3.27Å; L21-H25 WeakPolarHBondContact O-CB 3.48Å; L21-H25 PolarHBondContact O-N 3.11Å |
| 22 | L | 88.7 | Confident | 86.9 | Confident | 101 Ų | 101 | 84.8 Ų | 84.8 | 53% | 0.529 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -61 | -48.1 | 174.4 | -89.6 | 155.1 | 0 | 0 | 0 | 111.8 | T18 V19 R20 H25 E26 | T18-L22 HydrophobicContact CG2-CD1 4.13Å; T18-L22 PolarHBondContact O-N 2.99Å; V19-L22 PolarHBondContact O-N 3.06Å; R20-L22 PolarHBondContact O-N 3.43Å; L22-H25 PolarHBondContact O-N 3.29Å; L22-E26 WeakPolarHBondContact O-CB 3.41Å; L22-E26 WeakPolarHBondContact O-CG 3.44Å; L22-E26 PolarHBondContact O-N 3Å |
| 23 | L | 86.6 | Confident | 86.9 | Confident | 45 Ų | 45 | 82.8 Ų | 82.8 | 24% | 0.236 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -63.3 | -44.2 | 179.8 | -73.7 | 171.7 | 0 | 0 | 0 | 112.3 | V19 R20 H25 M27 I86 L88 Y95 | V19-L23 HydrophobicContact CG1-CD1 3.94Å; V19-L23 HydrophobicContact CG1-CG 4.35Å; V19-L23 WeakPolarHBondContact O-CG 3.45Å; V19-L23 PolarHBondContact O-N 2.93Å; R20-L23 PolarHBondContact O-N 3.35Å; L23-H25 VanDerWaalsContact C-N 3.34Å; L23-M27 WeakPolarHBondContact O-CB 3.48Å; L23-M27 PolarHBondContact O-N 3Å; L23-M27 VanDerWaalsContact O-N 3.16Å; L23-I86 HydrophobicContact CB-CG2 4.25Å; L23-I86 HydrophobicContact CD2-CG2 4.49Å; L23-L88 HydrophobicContact CD1-CB 4.24Å; L23-Y95 HydrophobicContact CD1-CD2 3.97Å; L23-Y95 HydrophobicContact CD1-CE2 4.15Å; L23-Y95 HydrophobicContact CD2-CE2 4.39Å |
| 24 | E | 85.9 | Confident | 86.9 | Confident | 79 Ų | 79 | 79.1 Ų | 79.1 | 37% | 0.369 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -66.5 | -35.4 | 179.6 | -74.8 | 173.5 | 179.7 | 0 | 0 | 112 | R20 G28 I86 T87 | R20-E24 HydrophobicContact CG-CG 4.42Å; R20-E24 WeakPolarHBondContact CG-OE1 3.31Å; R20-E24 IonicContact NE-OE1 2.63Å; R20-E24 IonicContact NE-OE2 3.77Å; R20-E24 WeakPolarHBondContact O-CB 3.45Å; R20-E24 WeakPolarHBondContact O-CG 3.42Å; R20-E24 PolarHBondContact O-N 3.39Å; E24-G28 PolarHBondContact O-N 3.42Å; E24-I86 WeakPolarHBondContact CG-O 3.41Å; E24-T87 WeakPolarHBondContact OE1-CB 3.41Å; E24-T87 PolarHBondContact OE1-OG1 3.32Å |
| 25 | H | 83.6 | Confident | 87 | Confident | 161 Ų | 161 | 75.1 Ų | 75.1 | 75% | 0.745 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -76.9 | -43.3 | -179.5 | -164.8 | 69.6 | 0 | 0 | 0 | 113.2 | L21 L22 L23 | L21-H25 VanDerWaalsContact O-CB 3.27Å; L21-H25 WeakPolarHBondContact O-CB 3.48Å; L21-H25 PolarHBondContact O-N 3.11Å; L22-H25 PolarHBondContact O-N 3.29Å; L23-H25 VanDerWaalsContact C-N 3.34Å |
| 26 | E | 83.6 | Confident | 87.1 | Confident | 144 Ų | 144 | 71 Ų | 71 | 67% | 0.673 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -77.9 | -40.4 | -175 | -70.6 | -67.8 | 151.9 | 0 | 0 | 112.9 | L22 | L22-E26 WeakPolarHBondContact O-CB 3.41Å; L22-E26 WeakPolarHBondContact O-CG 3.44Å; L22-E26 PolarHBondContact O-N 3Å |
| 27 | M | 81.6 | Confident | 87.1 | Confident | 101 Ų | 101 | 70.6 Ų | 70.6 | 50% | 0.498 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -94 | -29.3 | -173.1 | -62.7 | -69.4 | -77.8 | 0 | 0 | 113.3 | L23 Q29 I86 | L23-M27 WeakPolarHBondContact O-CB 3.48Å; L23-M27 PolarHBondContact O-N 3Å; L23-M27 VanDerWaalsContact O-N 3.16Å; M27-Q29 PolarHBondContact O-N 2.7Å; M27-I86 HydrophobicContact CB-CB 4.37Å; M27-I86 HydrophobicContact CB-CD1 3.68Å; M27-I86 HydrophobicContact CE-CD1 3.55Å; M27-I86 HydrophobicContact CG-CD1 3.96Å |
| 28 | G | 81 | Confident | 87.1 | Confident | 32 Ų | 32 | 70.9 Ų | 70.9 | 33% | 0.33 | 36% | 0.362 | S | S | . | . | trans | 53.7 | -137 | -177 | 0 | 0 | 0 | 0 | 0 | 113.5 | E24 | E24-G28 PolarHBondContact O-N 3.42Š| ||
| 29 | Q | 87.6 | Confident | 87.3 | Confident | 94 Ų | 94 | 70.7 Ų | 70.7 | 44% | 0.439 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 127.4 | 177.3 | 179.4 | 165.6 | 94.7 | 0 | 0 | 110.7 | M27 R83 N85 E100 | M27-Q29 PolarHBondContact O-N 2.7Å; Q29-R83 HydrophobicContact CG-CG 3.87Å; Q29-N85 WeakPolarHBondContact CB-OD1 3.32Å; Q29-E100 VanDerWaalsContact NE2-CD 3.34Å; Q29-E100 PolarHBondContact NE2-OE1 3.5Å; Q29-E100 PolarHBondContact NE2-OE2 3.41Å |
| 30 | V | 89.3 | Confident | 87.3 | Confident | 29 Ų | 29 | 71.9 Ų | 71.9 | 18% | 0.176 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 157.4 | -176.7 | -63.2 | 0 | 0 | 0 | 0 | 112.3 | I32 A84 I86 | V30-I32 HydrophobicContact CG2-CD1 3.84Å; V30-I32 HydrophobicContact CG2-CG1 4.01Å; V30-A84 WeakPolarHBondContact CG2-O 3.39Å; V30-A84 PolarHBondContact N-O 2.82Å; V30-A84 PolarHBondContact O-N 3.06Å; V30-I86 HydrophobicContact CG1-CD1 4.04Å; V30-I86 HydrophobicContact CG2-CD1 3.71Å; V30-I86 HydrophobicContact CG2-CG1 3.93Å |
| 31 | W | 88.9 | Confident | 87.4 | Confident | 135 Ų | 135 | 73.5 Ų | 73.5 | 51% | 0.511 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 130.2 | 170.1 | -72.6 | 89.6 | 0 | 0 | 0 | 109.9 | L81 V82 R83 | W31-L81 HydrophobicContact CE3-CD1 4.33Å; W31-L81 HydrophobicContact CE3-CD2 4.05Å; W31-L81 HydrophobicContact CE3-CG 3.85Å; W31-L81 HydrophobicContact CZ3-CD2 4.18Å; W31-L81 HydrophobicContact CZ3-CG 4.2Å; W31-V82 CarbonylContact C-O 3.5Å; W31-V82 VanDerWaalsContact CA-O 3.31Å; W31-V82 WeakPolarHBondContact CA-O 3.3Å; W31-R83 HydrophobicContact CD2-CB 3.95Å; W31-R83 HydrophobicContact CD2-CG 4Å; W31-R83 HydrophobicContact CE3-CB 3.87Å; W31-R83 HydrophobicContact CE3-CG 4.43Å; W31-R83 HydrophobicContact CH2-CB 3.89Å; W31-R83 HydrophobicContact CH2-CG 4.32Å; W31-R83 HydrophobicContact CZ2-CB 3.92Å; W31-R83 VanDerWaalsContact CZ2-CD 3.5Å; W31-R83 HydrophobicContact CZ2-CG 3.83Å; W31-R83 HydrophobicContact CZ3-CB 3.86Å |
| 32 | I | 88.1 | Confident | 87.3 | Confident | 40 Ų | 40 | 71.1 Ų | 71.1 | 21% | 0.205 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 126.3 | -173.9 | -58.4 | 172.1 | 0 | 0 | 0 | 109.1 | V30 L51 L81 V82 I97 | V30-I32 HydrophobicContact CG2-CD1 3.84Å; V30-I32 HydrophobicContact CG2-CG1 4.01Å; I32-L51 HydrophobicContact CG2-CD1 4.09Å; I32-L81 WeakPolarHBondContact O-CA 3.38Å; I32-V82 HydrophobicContact CB-CG2 3.94Å; I32-V82 PolarHBondContact N-O 2.88Å; I32-V82 PolarHBondContact O-N 3.32Å; I32-I97 HydrophobicContact CD1-CD1 3.36Å; I32-I97 HydrophobicContact CD1-CG2 4.35Å |
| 33 | S | 87.6 | Confident | 87.1 | Confident | 69 Ų | 69 | 71.9 Ų | 71.9 | 48% | 0.483 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 133.2 | 168.9 | -174.9 | 0 | 0 | 0 | 0 | 109.1 | V80 | S33-V80 WeakPolarHBondContact CA-O 3.36Å |
| 34 | G | 87.8 | Confident | 87.1 | Confident | 4 Ų | 4 | 72.6 Ų | 72.6 | 4% | 0.041 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -170 | 164.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | K52 V80 | G34-K52 WeakPolarHBondContact CA-O 3.29Å; G34-V80 PolarHBondContact N-O 3.21Å; G34-V80 PolarHBondContact O-N 2.91Å |
| 35 | E | 88.8 | Confident | 87.1 | Confident | 64 Ų | 64 | 69.4 Ų | 69.4 | 30% | 0.299 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 133.4 | 174 | -167.2 | -167.5 | 136.7 | 0 | 0 | 109.8 | S37 L51 K52 G77 | E35-S37 PolarHBondContact O-N 3.49Å; E35-L51 WeakPolarHBondContact O-CA 3.48Å; E35-K52 HydrophobicContact CB-CG 3.97Å; E35-K52 PolarHBondContact N-O 3.41Å; E35-K52 WeakPolarHBondContact O-CG 3.45Å; E35-K52 PolarHBondContact O-N 3.44Å; E35-K52 WeakPolarHBondContact OE1-CE 3.48Å; E35-K52 IonicContact OE1-NZ 2.94Å; E35-K52 PolarHBondContact OE1-NZ 3.33Å; E35-K52 WeakPolarHBondContact OE2-CE 3.2Å; E35-K52 IonicContact OE2-NZ 3.3Å; E35-K52 PolarHBondContact OE2-NZ 3.02Å; E35-G77 WeakPolarHBondContact CG-O 3.45Å; E35-G77 VanDerWaalsContact OE1-CA 3.31Å; E35-G77 WeakPolarHBondContact OE1-CA 3.36Å |
| 36 | I | 91 | Very high | 87.4 | Confident | 0 Ų | 0 | 64.1 Ų | 64.1 | 0% | 0 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 121.2 | 175.8 | -63.9 | -176.9 | 0 | 0 | 0 | 109.7 | F39 F49 L51 P74 G77 Q78 V80 M102 | I36-F39 HydrophobicContact CG2-CB 3.96Å; I36-F39 HydrophobicContact CG2-CD2 4.35Å; I36-F49 HydrophobicContact CG1-CD2 4.35Å; I36-F49 HydrophobicContact CG2-CB 4.04Å; I36-F49 HydrophobicContact CG2-CD2 4.38Å; I36-F49 HydrophobicContact CG2-CG 4.42Å; I36-L51 HydrophobicContact CG1-CD2 4.19Å; I36-P74 HydrophobicContact CD1-CB 3.46Å; I36-P74 VanDerWaalsContact CD1-CB 3.46Å; I36-G77 PolarHBondContact O-N 3Å; I36-Q78 PolarHBondContact N-O 2.99Å; I36-V80 HydrophobicContact CD1-CB 4.29Å; I36-V80 HydrophobicContact CD1-CG1 3.55Å; I36-V80 HydrophobicContact CD1-CG2 3.77Å; I36-V80 HydrophobicContact CG1-CB 4.43Å; I36-V80 HydrophobicContact CG1-CG1 4.01Å; I36-V80 HydrophobicContact CG1-CG2 3.55Å; I36-M102 HydrophobicContact CD1-CE 3.95Å; I36-M102 HydrophobicContact CD1-SD 4.02Å |
| 37 | S | 89 | Confident | 87.9 | Confident | 13 Ų | 13 | 58.3 Ų | 58.3 | 9% | 0.091 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 159.4 | 169.1 | -173.2 | 0 | 0 | 0 | 0 | 111.2 | E35 F39 T50 H76 | E35-S37 PolarHBondContact O-N 3.49Å; S37-F39 VanDerWaalsContact C-N 3.28Å; S37-F39 PolarHBondContact O-N 3.34Å; S37-F39 VanDerWaalsContact O-N 3.12Å; S37-T50 PolarHBondContact N-O 3.48Å; S37-T50 PolarHBondContact O-N 2.95Å; S37-H76 PolarHBondContact OG-CE1 3.34Å |
| 38 | N | 88.5 | Confident | 88.4 | Confident | 99 Ų | 99 | 58 Ų | 58 | 53% | 0.529 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 50.4 | 37.7 | 173.6 | -59.4 | -34.1 | 0 | 0 | 0 | 115.9 | T40 H76 | N38-T40 PolarHBondContact O-N 3.03Å; N38-T40 PolarHBondContact O-OG1 2.9Å; N38-H76 PolarHBondContact N-CE1 3.34Å; N38-H76 PolarHBondContact N-ND1 3.35Å |
| 39 | F | 91.4 | Very high | 89 | Confident | 49 Ų | 49 | 56.7 Ų | 56.7 | 22% | 0.215 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66 | 124.8 | -178.2 | -178.1 | -93.3 | 0 | 0 | 0 | 112.2 | I36 S37 Q41 W47 Y48 F49 P74 | I36-F39 HydrophobicContact CG2-CB 3.96Å; I36-F39 HydrophobicContact CG2-CD2 4.35Å; S37-F39 VanDerWaalsContact C-N 3.28Å; S37-F39 PolarHBondContact O-N 3.34Å; S37-F39 VanDerWaalsContact O-N 3.12Å; F39-Q41 HydrophobicContact CE1-CB 4.41Å; F39-W47 HydrophobicContact CE2-CB 3.81Å; F39-W47 AromaticContact CE2-CD2 3.9Å; F39-W47 HydrophobicContact CE2-CD2 3.9Å; F39-W47 HydrophobicContact CE2-CE3 4.12Å; F39-W47 AromaticContact CE2-CG 3.8Å; F39-W47 HydrophobicContact CE2-CG 3.8Å; F39-W47 HydrophobicContact CZ-CB 4.2Å; F39-W47 AromaticContact CZ-CD1 3.94Å; F39-W47 AromaticContact CZ-CD2 3.84Å; F39-W47 HydrophobicContact CZ-CD2 3.84Å; F39-W47 HydrophobicContact CZ-CE3 4.38Å; F39-W47 AromaticContact CZ-CG 3.77Å; F39-W47 HydrophobicContact CZ-CG 3.77Å; F39-Y48 CarbonylContact C-O 3.55Å; F39-Y48 WeakPolarHBondContact CA-O 3.03Å; F39-F49 HydrophobicContact CB-CB 4.33Å; F39-F49 HydrophobicContact CD2-CB 3.99Å; F39-F49 HydrophobicContact CD2-CD1 4.19Å; F39-F49 HydrophobicContact CD2-CG 4.36Å; F39-F49 HydrophobicContact CE2-CD1 4.42Å; F39-P74 HydrophobicContact CD2-CB 4.41Å; F39-P74 HydrophobicContact CD2-CG 4.16Å; F39-P74 HydrophobicContact CE2-CB 4.19Å; F39-P74 HydrophobicContact CE2-CG 3.47Å; F39-P74 VanDerWaalsContact CE2-CG 3.47Å; F39-P74 HydrophobicContact CZ-CG 3.75Å |
| 40 | T | 89.9 | Confident | 89.2 | Confident | 77 Ų | 77 | 52.9 Ų | 52.9 | 47% | 0.472 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 136.5 | -178.9 | -48.2 | 0 | 0 | 0 | 0 | 110.9 | N38 P42 Y48 | N38-T40 PolarHBondContact O-N 3.03Å; N38-T40 PolarHBondContact O-OG1 2.9Å; T40-P42 HydrophobicContact CG2-CG 4.32Å; T40-Y48 PolarHBondContact N-O 3.37Å; T40-Y48 PolarHBondContact O-N 2.71Å |
| 41 | Q | 88.8 | Confident | 89.4 | Confident | 106 Ų | 106 | 51.7 Ų | 51.7 | 50% | 0.495 | 29% | 0.286 | S | S | . | . | trans | -124.1 | 90.5 | 176.3 | -178.1 | 177.6 | 13.9 | 0 | 0 | 110.8 | F39 | F39-Q41 HydrophobicContact CE1-CB 4.41Š| ||
| 42 | P | 86.9 | Confident | 89.4 | Confident | 52 Ų | 52 | 48.3 Ų | 48.3 | 34% | 0.338 | 28% | 0.275 | S | S | . | . | trans | -69.7 | 168.9 | 175 | -19 | 33.7 | 0 | 0 | 0 | 112.9 | T40 S44 G45 H46 Y48 | T40-P42 HydrophobicContact CG2-CG 4.32Å; P42-S44 PolarHBondContact O-N 3.18Å; P42-G45 PolarHBondContact O-N 2.99Å; P42-H46 WeakPolarHBondContact CD-O 3.48Å; P42-Y48 HydrophobicContact CG-CD2 3.88Å; P42-Y48 HydrophobicContact CG-CE2 3.92Å | ||
| 43 | A | 84.3 | Confident | 89.2 | Confident | 116 Ų | 116 | 50.7 Ų | 50.7 | 96% | 0.959 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | -19.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | G45 | A43-G45 PolarHBondContact O-N 3.45Š|
| 44 | S | 85.7 | Confident | 88.8 | Confident | 60 Ų | 60 | 55.7 Ų | 55.7 | 42% | 0.42 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -18.9 | 173.3 | 59.1 | 0 | 0 | 0 | 0 | 113.5 | P42 H46 | P42-S44 PolarHBondContact O-N 3.18Å; S44-H46 VanDerWaalsContact C-N 3.32Å |
| 45 | G | 85.2 | Confident | 88.6 | Confident | 13 Ų | 13 | 61.9 Ų | 61.9 | 13% | 0.134 | 35% | 0.346 | C | S | . | . | trans | 80.4 | 8.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | P42 A43 R64 N67 | P42-G45 PolarHBondContact O-N 2.99Å; A43-G45 PolarHBondContact O-N 3.45Å; G45-R64 WeakPolarHBondContact O-CB 3.46Å; G45-N67 PolarHBondContact O-ND2 3.44Å | ||
| 46 | H | 91.3 | Very high | 88.6 | Confident | 49 Ų | 49 | 61.3 Ų | 61.3 | 23% | 0.227 | 35% | 0.353 | C | S | . | . | trans | -83.6 | 148.1 | 168.4 | -58.2 | -30.8 | 0 | 0 | 0 | 110.3 | P42 S44 Y48 M62 F63 R64 | P42-H46 WeakPolarHBondContact CD-O 3.48Å; S44-H46 VanDerWaalsContact C-N 3.32Å; H46-Y48 HydrophobicContact CB-CE2 3.83Å; H46-M62 WeakPolarHBondContact CA-O 3.34Å; H46-F63 AromaticContact CE1-CD1 3.8Å; H46-F63 AromaticContact ND1-CD1 3.9Å; H46-F63 AromaticContact NE2-CD1 4Å; H46-R64 PolarHBondContact ND1-N 2.75Å | ||
| 47 | W | 93.1 | Very high | 88.6 | Confident | 22 Ų | 22 | 68.1 Ų | 68.1 | 8% | 0.083 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 131 | 172.4 | -60.9 | -16.6 | 0 | 0 | 0 | 109.6 | F39 F49 V61 M62 N67 V70 P74 | F39-W47 HydrophobicContact CE2-CB 3.81Å; F39-W47 AromaticContact CE2-CD2 3.9Å; F39-W47 HydrophobicContact CE2-CD2 3.9Å; F39-W47 HydrophobicContact CE2-CE3 4.12Å; F39-W47 AromaticContact CE2-CG 3.8Å; F39-W47 HydrophobicContact CE2-CG 3.8Å; F39-W47 HydrophobicContact CZ-CB 4.2Å; F39-W47 AromaticContact CZ-CD1 3.94Å; F39-W47 AromaticContact CZ-CD2 3.84Å; F39-W47 HydrophobicContact CZ-CD2 3.84Å; F39-W47 HydrophobicContact CZ-CE3 4.38Å; F39-W47 AromaticContact CZ-CG 3.77Å; F39-W47 HydrophobicContact CZ-CG 3.77Å; W47-F49 HydrophobicContact CB-CD1 4.34Å; W47-F49 HydrophobicContact CB-CE1 4.45Å; W47-V61 CarbonylContact O-C 3.5Å; W47-V61 WeakPolarHBondContact O-CA 3.35Å; W47-M62 HydrophobicContact CB-CB 4.17Å; W47-M62 HydrophobicContact CE3-SD 3.76Å; W47-M62 HydrophobicContact CZ3-SD 4.03Å; W47-M62 PolarHBondContact N-O 2.94Å; W47-M62 PolarHBondContact O-N 3.44Å; W47-N67 HydrophobicContact CD2-CB 3.58Å; W47-N67 HydrophobicContact CE3-CB 3.57Å; W47-N67 HydrophobicContact CG-CB 4.3Å; W47-N67 HydrophobicContact CH2-CB 3.79Å; W47-N67 HydrophobicContact CZ2-CB 3.79Å; W47-N67 HydrophobicContact CZ3-CB 3.67Å; W47-N67 PolarHBondContact NE1-ND2 3.44Å; W47-V70 HydrophobicContact CH2-CB 4.22Å; W47-V70 HydrophobicContact CZ3-CB 4.17Å; W47-V70 HydrophobicContact CZ3-CG1 4.37Å; W47-V70 HydrophobicContact CZ3-CG2 4.12Å; W47-P74 HydrophobicContact CE3-CG 3.86Å; W47-P74 HydrophobicContact CH2-CG 4.01Å; W47-P74 HydrophobicContact CZ3-CG 3.58Å |
| 48 | Y | 92.8 | Very high | 88.7 | Confident | 94 Ų | 94 | 68.8 Ų | 68.8 | 37% | 0.369 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 129.4 | 173 | -61.4 | -87.8 | 0 | 0 | 0 | 108 | F39 T40 P42 H46 V61 | F39-Y48 CarbonylContact C-O 3.55Å; F39-Y48 WeakPolarHBondContact CA-O 3.03Å; T40-Y48 PolarHBondContact N-O 3.37Å; T40-Y48 PolarHBondContact O-N 2.71Å; P42-Y48 HydrophobicContact CG-CD2 3.88Å; P42-Y48 HydrophobicContact CG-CE2 3.92Å; H46-Y48 HydrophobicContact CB-CE2 3.83Å; Y48-V61 HydrophobicContact CD1-CB 4.42Å; Y48-V61 HydrophobicContact CD1-CG1 4.14Å; Y48-V61 HydrophobicContact CD1-CG2 3.73Å; Y48-V61 HydrophobicContact CE1-CB 4.37Å; Y48-V61 HydrophobicContact CE1-CG1 3.74Å; Y48-V61 HydrophobicContact CE1-CG2 3.77Å |
| 49 | F | 93.7 | Very high | 89 | Confident | 6 Ų | 6 | 71.2 Ų | 71.2 | 3% | 0.026 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155 | 169.4 | 177.8 | 55 | -83.1 | 0 | 0 | 0 | 109.8 | I36 F39 W47 L51 C60 M62 V99 M102 | I36-F49 HydrophobicContact CG1-CD2 4.35Å; I36-F49 HydrophobicContact CG2-CB 4.04Å; I36-F49 HydrophobicContact CG2-CD2 4.38Å; I36-F49 HydrophobicContact CG2-CG 4.42Å; F39-F49 HydrophobicContact CB-CB 4.33Å; F39-F49 HydrophobicContact CD2-CB 3.99Å; F39-F49 HydrophobicContact CD2-CD1 4.19Å; F39-F49 HydrophobicContact CD2-CG 4.36Å; F39-F49 HydrophobicContact CE2-CD1 4.42Å; W47-F49 HydrophobicContact CB-CD1 4.34Å; W47-F49 HydrophobicContact CB-CE1 4.45Å; F49-L51 HydrophobicContact CD2-CD2 4.25Å; F49-L51 HydrophobicContact CD2-CG 4.18Å; F49-L51 HydrophobicContact CE2-CD1 4.31Å; F49-L51 HydrophobicContact CE2-CD2 3.98Å; F49-L51 HydrophobicContact CE2-CG 3.88Å; F49-C60 HydrophobicContact CD1-CB 4.44Å; F49-C60 HydrophobicContact CD2-CB 3.78Å; F49-C60 HydrophobicContact CE1-CB 4.21Å; F49-C60 HydrophobicContact CE2-CB 3.51Å; F49-C60 HydrophobicContact CG-CB 4.24Å; F49-C60 HydrophobicContact CZ-CB 3.75Å; F49-C60 PolarHBondContact N-O 3.29Å; F49-C60 VanDerWaalsContact N-O 3.08Å; F49-C60 WeakPolarHBondContact O-CA 3.26Å; F49-C60 WeakPolarHBondContact O-CB 3.49Å; F49-C60 PolarHBondContact O-N 3.37Å; F49-C60 VanDerWaalsContact O-O 3.12Å; F49-M62 HydrophobicContact CE1-CB 4.17Å; F49-V99 HydrophobicContact CZ-CB 4.41Å; F49-V99 HydrophobicContact CZ-CG2 3.87Å; F49-M102 HydrophobicContact CE1-CE 3.73Å; F49-M102 HydrophobicContact CE2-CE 3.69Å; F49-M102 HydrophobicContact CZ-CE 3.18Å |
| 50 | T | 92.1 | Very high | 89.1 | Confident | 14 Ų | 14 | 69 Ų | 69 | 9% | 0.086 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 128.5 | 174.1 | -60 | 0 | 0 | 0 | 0 | 107.9 | S37 Q57 V58 | S37-T50 PolarHBondContact N-O 3.48Å; S37-T50 PolarHBondContact O-N 2.95Å; T50-Q57 HydrophobicContact CG2-CB 3.73Å; T50-Q57 HydrophobicContact CG2-CG 4.31Å; T50-V58 CarbonylContact C-O 3.53Å; T50-V58 VanDerWaalsContact CA-O 3.23Å; T50-V58 WeakPolarHBondContact CA-O 3.41Å; T50-V58 WeakPolarHBondContact CG2-O 3.38Å |
| 51 | L | 91.7 | Very high | 89.3 | Confident | 4 Ų | 4 | 65.8 Ų | 65.8 | 2% | 0.021 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 127.8 | 165.5 | -71.4 | 173.7 | 0 | 0 | 0 | 108.1 | I32 E35 I36 F49 Q57 V58 C60 V80 V82 | I32-L51 HydrophobicContact CG2-CD1 4.09Å; E35-L51 WeakPolarHBondContact O-CA 3.48Å; I36-L51 HydrophobicContact CG1-CD2 4.19Å; F49-L51 HydrophobicContact CD2-CD2 4.25Å; F49-L51 HydrophobicContact CD2-CG 4.18Å; F49-L51 HydrophobicContact CE2-CD1 4.31Å; F49-L51 HydrophobicContact CE2-CD2 3.98Å; F49-L51 HydrophobicContact CE2-CG 3.88Å; L51-Q57 CarbonylContact O-C 3.56Å; L51-Q57 VanDerWaalsContact O-CA 3.29Å; L51-Q57 WeakPolarHBondContact O-CA 3.28Å; L51-V58 HydrophobicContact CB-CG1 4Å; L51-V58 PolarHBondContact N-O 3.37Å; L51-V58 PolarHBondContact O-N 2.93Å; L51-C60 VanDerWaalsContact CD1-SG 3.57Å; L51-C60 VanDerWaalsContact CG-SG 3.59Å; L51-V80 HydrophobicContact CD2-CG2 3.63Å; L51-V82 HydrophobicContact CD1-CG1 4.31Å; L51-V82 HydrophobicContact CD1-CG2 3.46Å; L51-V82 VanDerWaalsContact CD1-CG2 3.46Å |
| 52 | K | 89.3 | Confident | 89.5 | Confident | 64 Ų | 64 | 60.8 Ų | 60.8 | 28% | 0.278 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 145.8 | 175.1 | 61.9 | 174.4 | -177.7 | 165 | 0 | 110.8 | G34 E35 A56 Q57 | G34-K52 WeakPolarHBondContact CA-O 3.29Å; E35-K52 HydrophobicContact CB-CG 3.97Å; E35-K52 PolarHBondContact N-O 3.41Å; E35-K52 WeakPolarHBondContact O-CG 3.45Å; E35-K52 PolarHBondContact O-N 3.44Å; E35-K52 WeakPolarHBondContact OE1-CE 3.48Å; E35-K52 IonicContact OE1-NZ 2.94Å; E35-K52 PolarHBondContact OE1-NZ 3.33Å; E35-K52 WeakPolarHBondContact OE2-CE 3.2Å; E35-K52 IonicContact OE2-NZ 3.3Å; E35-K52 PolarHBondContact OE2-NZ 3.02Å; K52-A56 WeakPolarHBondContact CA-O 3.49Å; K52-Q57 HydrophobicContact CB-CB 4.05Å |
| 53 | D | 85.2 | Confident | 89.7 | Confident | 90 Ų | 90 | 62.4 Ų | 62.4 | 48% | 0.481 | 34% | 0.339 | S | S | . | . | trans | -113.6 | -168.7 | 161.9 | 64.6 | 44.8 | 0 | 0 | 0 | 109.2 | T55 A56 | D53-T55 PolarHBondContact O-N 3.16Å; D53-T55 WeakPolarHBondContact OD1-CA 3.34Å; D53-T55 PolarHBondContact OD1-N 3.05Å; D53-T55 PolarHBondContact OD1-OG1 3.39Å; D53-A56 PolarHBondContact N-O 3.44Å; D53-A56 PolarHBondContact OD1-N 2.98Å | ||
| 54 | D | 79.3 | Confident | 89.9 | Confident | 174 Ų | 174 | 63 Ų | 63 | 93% | 0.93 | 32% | 0.317 | S | S | * | . | S | Bend | trans | -64 | -20.2 | -178.2 | -62.9 | -34.5 | 0 | 0 | 0 | 113.6 | ||
| 55 | T | 82.8 | Confident | 90 | Very high | 133 Ų | 133 | 66.2 Ų | 66.2 | 82% | 0.816 | 33% | 0.329 | S | S | * | . | S | Bend | trans | -127.5 | -23.2 | -167.5 | 60.6 | 0 | 0 | 0 | 0 | 114.5 | D53 | D53-T55 PolarHBondContact O-N 3.16Å; D53-T55 WeakPolarHBondContact OD1-CA 3.34Å; D53-T55 PolarHBondContact OD1-N 3.05Å; D53-T55 PolarHBondContact OD1-OG1 3.39Å |
| 56 | A | 88.8 | Confident | 90.2 | Very high | 53 Ų | 53 | 66.4 Ų | 66.4 | 44% | 0.438 | 33% | 0.328 | S | S | . | . | trans | -143.2 | 159.6 | -168.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | K52 D53 | K52-A56 WeakPolarHBondContact CA-O 3.49Å; D53-A56 PolarHBondContact N-O 3.44Å; D53-A56 PolarHBondContact OD1-N 2.98Å | ||
| 57 | Q | 91.3 | Very high | 89.9 | Confident | 143 Ų | 143 | 64.7 Ų | 64.7 | 67% | 0.668 | 32% | 0.321 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 149 | 174.6 | 66.4 | 174.7 | -3.4 | 0 | 0 | 110.9 | T50 L51 K52 | T50-Q57 HydrophobicContact CG2-CB 3.73Å; T50-Q57 HydrophobicContact CG2-CG 4.31Å; L51-Q57 CarbonylContact O-C 3.56Å; L51-Q57 VanDerWaalsContact O-CA 3.29Å; L51-Q57 WeakPolarHBondContact O-CA 3.28Å; K52-Q57 HydrophobicContact CB-CB 4.05Å |
| 58 | V | 91.8 | Very high | 89.4 | Confident | 27 Ų | 27 | 71.6 Ų | 71.6 | 16% | 0.164 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 139.5 | -179.3 | 61.4 | 0 | 0 | 0 | 0 | 111.7 | T50 L51 Y95 I97 | T50-V58 CarbonylContact C-O 3.53Å; T50-V58 VanDerWaalsContact CA-O 3.23Å; T50-V58 WeakPolarHBondContact CA-O 3.41Å; T50-V58 WeakPolarHBondContact CG2-O 3.38Å; L51-V58 HydrophobicContact CB-CG1 4Å; L51-V58 PolarHBondContact N-O 3.37Å; L51-V58 PolarHBondContact O-N 2.93Å; V58-Y95 HydrophobicContact CG2-CD1 3.66Å; V58-Y95 HydrophobicContact CG2-CE1 3.48Å; V58-Y95 VanDerWaalsContact CG2-CE1 3.48Å; V58-I97 HydrophobicContact CB-CD1 4.2Å; V58-I97 HydrophobicContact CG1-CD1 3.71Å; V58-I97 HydrophobicContact CG2-CB 4.48Å; V58-I97 HydrophobicContact CG2-CD1 3.49Å; V58-I97 VanDerWaalsContact CG2-CD1 3.49Å; V58-I97 HydrophobicContact CG2-CG1 3.61Å |
| 59 | R | 92.9 | Very high | 89 | Confident | 149 Ų | 149 | 74.6 Ų | 74.6 | 56% | 0.562 | 36% | 0.358 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 132.7 | 176 | -69.3 | -177 | -179.1 | 162.3 | 3.4 | 111 | D94 Q96 I97 | R59-D94 IonicContact NH1-OD2 3.44Å; R59-D94 PolarHBondContact NH1-OD2 2.87Å; R59-Q96 WeakPolarHBondContact O-CA 3.43Å; R59-I97 PolarHBondContact O-N 3.39Å |
| 60 | C | 94.3 | Very high | 88.5 | Confident | 2 Ų | 2 | 75.2 Ų | 75.2 | 1% | 0.014 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 143.8 | -177.4 | -58.2 | 0 | 0 | 0 | 0 | 110.9 | F49 L51 I97 V99 | F49-C60 HydrophobicContact CD1-CB 4.44Å; F49-C60 HydrophobicContact CD2-CB 3.78Å; F49-C60 HydrophobicContact CE1-CB 4.21Å; F49-C60 HydrophobicContact CE2-CB 3.51Å; F49-C60 HydrophobicContact CG-CB 4.24Å; F49-C60 HydrophobicContact CZ-CB 3.75Å; F49-C60 PolarHBondContact N-O 3.29Å; F49-C60 VanDerWaalsContact N-O 3.08Å; F49-C60 WeakPolarHBondContact O-CA 3.26Å; F49-C60 WeakPolarHBondContact O-CB 3.49Å; F49-C60 PolarHBondContact O-N 3.37Å; F49-C60 VanDerWaalsContact O-O 3.12Å; L51-C60 VanDerWaalsContact CD1-SG 3.57Å; L51-C60 VanDerWaalsContact CG-SG 3.59Å; C60-I97 CarbonylContact C-O 3.54Å; C60-I97 VanDerWaalsContact CA-O 3.28Å; C60-I97 WeakPolarHBondContact CA-O 3.45Å; C60-V99 HydrophobicContact CB-CG2 4.12Å |
| 61 | V | 93.3 | Very high | 87.8 | Confident | 11 Ų | 11 | 81.4 Ų | 81.4 | 7% | 0.067 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 130.3 | 175 | -174.3 | 0 | 0 | 0 | 0 | 108.6 | W47 Y48 F63 I97 I98 V99 | W47-V61 CarbonylContact O-C 3.5Å; W47-V61 WeakPolarHBondContact O-CA 3.35Å; Y48-V61 HydrophobicContact CD1-CB 4.42Å; Y48-V61 HydrophobicContact CD1-CG1 4.14Å; Y48-V61 HydrophobicContact CD1-CG2 3.73Å; Y48-V61 HydrophobicContact CE1-CB 4.37Å; Y48-V61 HydrophobicContact CE1-CG1 3.74Å; Y48-V61 HydrophobicContact CE1-CG2 3.77Å; V61-F63 HydrophobicContact CG1-CE1 4.32Å; V61-I97 PolarHBondContact N-O 3.29Å; V61-I98 CarbonylContact O-C 3.58Å; V61-I98 WeakPolarHBondContact O-CA 3.31Å; V61-V99 PolarHBondContact O-N 3Å |
| 62 | M | 93.5 | Very high | 87.4 | Confident | 0 Ų | 0 | 83 Ų | 83 | 0% | 0 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 116.2 | 171.6 | -165.2 | 173.6 | -161.1 | 0 | 0 | 109.6 | H46 W47 F49 N67 V70 V99 M102 | H46-M62 WeakPolarHBondContact CA-O 3.34Å; W47-M62 HydrophobicContact CB-CB 4.17Å; W47-M62 HydrophobicContact CE3-SD 3.76Å; W47-M62 HydrophobicContact CZ3-SD 4.03Å; W47-M62 PolarHBondContact N-O 2.94Å; W47-M62 PolarHBondContact O-N 3.44Å; F49-M62 HydrophobicContact CE1-CB 4.17Å; M62-N67 HydrophobicContact CG-CB 4.03Å; M62-N67 HydrophobicContact SD-CB 3.91Å; M62-V70 HydrophobicContact CE-CG2 3.34Å; M62-V70 HydrophobicContact SD-CG2 3.95Å; M62-V99 HydrophobicContact CB-CB 4.19Å; M62-V99 HydrophobicContact CE-CG1 4.03Å; M62-V99 HydrophobicContact CG-CB 4.23Å; M62-V99 HydrophobicContact CG-CG1 4.27Å; M62-V99 WeakPolarHBondContact CG-O 3.48Å; M62-V99 HydrophobicContact SD-CG1 4.05Å; M62-M102 HydrophobicContact CE-CB 4.22Å; M62-M102 HydrophobicContact SD-CB 4.44Å |
| 63 | F | 91.5 | Very high | 87.1 | Confident | 87 Ų | 87 | 89.1 Ų | 89.1 | 38% | 0.382 | 43% | 0.428 | S | S | . | . | trans | -69.9 | 158.1 | -178.9 | -65.7 | -66.7 | 0 | 0 | 0 | 112.1 | H46 V61 N65 S66 N67 I98 | H46-F63 AromaticContact CE1-CD1 3.8Å; H46-F63 AromaticContact ND1-CD1 3.9Å; H46-F63 AromaticContact NE2-CD1 4Å; V61-F63 HydrophobicContact CG1-CE1 4.32Å; F63-N65 PolarHBondContact O-N 3.02Å; F63-N65 VanDerWaalsContact O-N 3.12Å; F63-S66 WeakPolarHBondContact O-CB 2.94Å; F63-S66 PolarHBondContact O-N 3.46Å; F63-N67 PolarHBondContact O-N 3.31Å; F63-I98 HydrophobicContact CD2-CG2 3.86Å; F63-I98 HydrophobicContact CE2-CD1 4.07Å; F63-I98 HydrophobicContact CE2-CG1 4.22Å; F63-I98 HydrophobicContact CE2-CG2 3.58Å | ||
| 64 | R | 88.9 | Confident | 87 | Confident | 129 Ų | 129 | 85 Ų | 85 | 49% | 0.487 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -60.8 | -26.3 | -173.6 | -175.2 | 179.7 | 179.2 | -166.1 | -0.1 | 113.4 | G45 H46 N67 R68 | G45-R64 WeakPolarHBondContact O-CB 3.46Å; H46-R64 PolarHBondContact ND1-N 2.75Å; R64-N67 VanDerWaalsContact C-OD1 3.28Å; R64-N67 WeakPolarHBondContact CA-OD1 3.46Å; R64-N67 PolarHBondContact O-OD1 2.94Å; R64-R68 WeakPolarHBondContact O-CG 3.49Å |
| 65 | N | 87.9 | Confident | 87.2 | Confident | 127 Ų | 127 | 83 Ų | 83 | 68% | 0.679 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -78.9 | -32.5 | 177.1 | -68.6 | -8.6 | 0 | 0 | 0 | 111.5 | F63 | F63-N65 PolarHBondContact O-N 3.02Å; F63-N65 VanDerWaalsContact O-N 3.12Å |
| 66 | S | 87.7 | Confident | 87.2 | Confident | 17 Ų | 17 | 82.3 Ų | 82.3 | 12% | 0.119 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -75.9 | -45.5 | 178.7 | -59.9 | 0 | 0 | 0 | 0 | 111.6 | F63 R68 R69 E100 | F63-S66 WeakPolarHBondContact O-CB 2.94Å; F63-S66 PolarHBondContact O-N 3.46Å; S66-R68 VanDerWaalsContact C-N 3.28Å; S66-R68 PolarHBondContact O-N 3.34Å; S66-R69 WeakPolarHBondContact O-CB 3.42Å; S66-R69 PolarHBondContact O-N 2.91Å; S66-R69 VanDerWaalsContact O-N 3.11Å; S66-E100 WeakPolarHBondContact CB-O 3.42Å |
| 67 | N | 85.5 | Confident | 86.8 | Confident | 13 Ų | 13 | 81.7 Ų | 81.7 | 7% | 0.07 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -66.7 | -26.2 | -174.9 | 66.9 | 9.8 | 0 | 0 | 0 | 114 | G45 W47 M62 F63 R64 R69 V70 | G45-N67 PolarHBondContact O-ND2 3.44Å; W47-N67 HydrophobicContact CD2-CB 3.58Å; W47-N67 HydrophobicContact CE3-CB 3.57Å; W47-N67 HydrophobicContact CG-CB 4.3Å; W47-N67 HydrophobicContact CH2-CB 3.79Å; W47-N67 HydrophobicContact CZ2-CB 3.79Å; W47-N67 HydrophobicContact CZ3-CB 3.67Å; W47-N67 PolarHBondContact NE1-ND2 3.44Å; M62-N67 HydrophobicContact CG-CB 4.03Å; M62-N67 HydrophobicContact SD-CB 3.91Å; F63-N67 PolarHBondContact O-N 3.31Å; R64-N67 VanDerWaalsContact C-OD1 3.28Å; R64-N67 WeakPolarHBondContact CA-OD1 3.46Å; R64-N67 PolarHBondContact O-OD1 2.94Å; N67-R69 PolarHBondContact O-N 3.01Å; N67-R69 VanDerWaalsContact O-N 3.14Å; N67-V70 WeakPolarHBondContact O-CB 3.34Å; N67-V70 PolarHBondContact O-N 3.47Å |
| 68 | R | 84 | Confident | 86.5 | Confident | 167 Ų | 167 | 77.1 Ų | 77.1 | 63% | 0.63 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | -21.5 | 172.3 | -75.4 | 176.3 | -172.6 | -157.4 | 4.1 | 114 | R64 S66 | R64-R68 WeakPolarHBondContact O-CG 3.49Å; S66-R68 VanDerWaalsContact C-N 3.28Å; S66-R68 PolarHBondContact O-N 3.34Å |
| 69 | R | 82.8 | Confident | 86.2 | Confident | 157 Ų | 157 | 81.7 Ų | 81.7 | 59% | 0.592 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.9 | -8.1 | 178.7 | -60.6 | -177.9 | -67.6 | -171.3 | 0 | 113.1 | S66 N67 E100 | S66-R69 WeakPolarHBondContact O-CB 3.42Å; S66-R69 PolarHBondContact O-N 2.91Å; S66-R69 VanDerWaalsContact O-N 3.11Å; N67-R69 PolarHBondContact O-N 3.01Å; N67-R69 VanDerWaalsContact O-N 3.14Å; R69-E100 PolarHBondContact NH2-O 3.31Å |
| 70 | V | 83.3 | Confident | 85.9 | Confident | 19 Ų | 19 | 74.6 Ų | 74.6 | 12% | 0.115 | 35% | 0.348 | C | S | . | . | trans | -82.9 | 120.6 | 179.2 | -173 | 0 | 0 | 0 | 0 | 108.1 | W47 M62 N67 F72 M102 | W47-V70 HydrophobicContact CH2-CB 4.22Å; W47-V70 HydrophobicContact CZ3-CB 4.17Å; W47-V70 HydrophobicContact CZ3-CG1 4.37Å; W47-V70 HydrophobicContact CZ3-CG2 4.12Å; M62-V70 HydrophobicContact CE-CG2 3.34Å; M62-V70 HydrophobicContact SD-CG2 3.95Å; N67-V70 WeakPolarHBondContact O-CB 3.34Å; N67-V70 PolarHBondContact O-N 3.47Å; V70-F72 VanDerWaalsContact C-N 3.28Å; V70-F72 HydrophobicContact CG1-CD1 3.52Å; V70-F72 HydrophobicContact CG1-CE1 3.51Å; V70-F72 HydrophobicContact CG1-CG 4.22Å; V70-F72 HydrophobicContact CG1-CZ 4.23Å; V70-F72 WeakPolarHBondContact CG1-O 3.45Å; V70-F72 PolarHBondContact O-N 3.46Å; V70-M102 HydrophobicContact CG1-CB 4.35Å; V70-M102 HydrophobicContact CG2-CB 4.01Å | ||
| 71 | T | 78.8 | Confident | 85.6 | Confident | 144 Ų | 144 | 76 Ų | 76 | 88% | 0.883 | 36% | 0.356 | S | S | * | . | S | Bend | trans | -80.8 | -7.4 | -175.3 | 48.3 | 0 | 0 | 0 | 0 | 113.6 | ||
| 72 | F | 81.6 | Confident | 85.4 | Confident | 37 Ų | 37 | 75.5 Ų | 75.5 | 16% | 0.162 | 35% | 0.352 | C | S | . | . | S | Bend | trans | -124.6 | 158.3 | 178.2 | 75.7 | -81.4 | 0 | 0 | 0 | 111.4 | V70 P74 Q78 V80 M102 P104 | V70-F72 VanDerWaalsContact C-N 3.28Å; V70-F72 HydrophobicContact CG1-CD1 3.52Å; V70-F72 HydrophobicContact CG1-CE1 3.51Å; V70-F72 HydrophobicContact CG1-CG 4.22Å; V70-F72 HydrophobicContact CG1-CZ 4.23Å; V70-F72 WeakPolarHBondContact CG1-O 3.45Å; V70-F72 PolarHBondContact O-N 3.46Å; F72-P74 HydrophobicContact CE2-CB 4.17Å; F72-P74 WeakPolarHBondContact O-CD 3.49Å; F72-Q78 VanDerWaalsContact CE2-NE2 3.28Å; F72-V80 HydrophobicContact CE2-CG1 4.1Å; F72-V80 HydrophobicContact CZ-CG1 3.83Å; F72-M102 HydrophobicContact CE1-CG 3.98Å; F72-M102 HydrophobicContact CE1-SD 4.42Å; F72-M102 HydrophobicContact CE2-SD 4.29Å; F72-M102 HydrophobicContact CZ-CG 3.61Å; F72-M102 HydrophobicContact CZ-SD 3.71Å; F72-P104 HydrophobicContact CD1-CG 3.87Å; F72-P104 HydrophobicContact CE1-CG 3.89Å; F72-P104 HydrophobicContact CG-CG 4.25Å; F72-P104 HydrophobicContact CZ-CG 4.27Å |
| 73 | R | 83.3 | Confident | 85.2 | Confident | 192 Ų | 192 | 79.1 Ų | 79.1 | 73% | 0.725 | 37% | 0.366 | S | S | * | . | trans | -91.1 | 111.8 | 174.3 | -171.5 | 175.7 | -176.9 | -179.5 | 0.2 | 108.9 | Q75 | R73-Q75 PolarHBondContact O-N 2.89Š| ||
| 74 | P | 84.2 | Confident | 85.2 | Confident | 4 Ų | 4 | 75 Ų | 75 | 3% | 0.026 | 35% | 0.348 | C | S | . | . | trans | -61.7 | 135.7 | 179.1 | 22.5 | -32.2 | 0 | 0 | 0 | 111.4 | I36 F39 W47 F72 M102 | I36-P74 HydrophobicContact CD1-CB 3.46Å; I36-P74 VanDerWaalsContact CD1-CB 3.46Å; F39-P74 HydrophobicContact CD2-CB 4.41Å; F39-P74 HydrophobicContact CD2-CG 4.16Å; F39-P74 HydrophobicContact CE2-CB 4.19Å; F39-P74 HydrophobicContact CE2-CG 3.47Å; F39-P74 VanDerWaalsContact CE2-CG 3.47Å; F39-P74 HydrophobicContact CZ-CG 3.75Å; W47-P74 HydrophobicContact CE3-CG 3.86Å; W47-P74 HydrophobicContact CH2-CG 4.01Å; W47-P74 HydrophobicContact CZ3-CG 3.58Å; F72-P74 HydrophobicContact CE2-CB 4.17Å; F72-P74 WeakPolarHBondContact O-CD 3.49Å; P74-M102 HydrophobicContact CB-SD 3.87Å; P74-M102 HydrophobicContact CG-SD 4.18Å | ||
| 75 | Q | 82.6 | Confident | 85.4 | Confident | 132 Ų | 132 | 71.3 Ų | 71.3 | 62% | 0.617 | 34% | 0.338 | S | S | * | . | trans | -114.4 | 152.5 | 178.4 | -58.9 | -175.5 | 20.5 | 0 | 0 | 111 | R73 G77 Q78 | R73-Q75 PolarHBondContact O-N 2.89Å; Q75-G77 PolarHBondContact O-N 3.41Å; Q75-Q78 HydrophobicContact CB-CB 4.33Å; Q75-Q78 WeakPolarHBondContact O-CB 3.48Å; Q75-Q78 PolarHBondContact O-N 3.5Å; Q75-Q78 VanDerWaalsContact O-N 3.13Å | ||
| 76 | H | 82.8 | Confident | 85.5 | Confident | 119 Ų | 119 | 65.5 Ų | 65.5 | 55% | 0.551 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | 134.4 | 169.1 | -170.9 | 86.4 | 0 | 0 | 0 | 109.2 | S37 N38 Q78 | S37-H76 PolarHBondContact OG-CE1 3.34Å; N38-H76 PolarHBondContact N-CE1 3.34Å; N38-H76 PolarHBondContact N-ND1 3.35Å; H76-Q78 VanDerWaalsContact C-N 3.29Å |
| 77 | G | 80.9 | Confident | 85.7 | Confident | 39 Ų | 39 | 65.1 Ų | 65.1 | 40% | 0.402 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 86.5 | -6.2 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | E35 I36 Q75 | E35-G77 WeakPolarHBondContact CG-O 3.45Å; E35-G77 VanDerWaalsContact OE1-CA 3.31Å; E35-G77 WeakPolarHBondContact OE1-CA 3.36Å; I36-G77 PolarHBondContact O-N 3Å; Q75-G77 PolarHBondContact O-N 3.41Å |
| 78 | Q | 84.4 | Confident | 85.8 | Confident | 47 Ų | 47 | 65.2 Ų | 65.2 | 22% | 0.22 | 31% | 0.305 | C | S | . | . | trans | -80.9 | 129.8 | -177.6 | -169 | 175.4 | 1.6 | 0 | 0 | 110.9 | I36 F72 Q75 H76 V80 | I36-Q78 PolarHBondContact N-O 2.99Å; F72-Q78 VanDerWaalsContact CE2-NE2 3.28Å; Q75-Q78 HydrophobicContact CB-CB 4.33Å; Q75-Q78 WeakPolarHBondContact O-CB 3.48Å; Q75-Q78 PolarHBondContact O-N 3.5Å; Q75-Q78 VanDerWaalsContact O-N 3.13Å; H76-Q78 VanDerWaalsContact C-N 3.29Å; Q78-V80 HydrophobicContact CG-CG1 4.19Å | ||
| 79 | Q | 85.3 | Confident | 86 | Confident | 123 Ų | 123 | 62.3 Ų | 62.3 | 58% | 0.575 | 29% | 0.294 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80 | 126.3 | 172.5 | -155.1 | 160.6 | 15.4 | 0 | 0 | 110.3 | A105 | Q79-A105 HydrophobicContact CB-CB 3.94Å; Q79-A105 HydrophobicContact CG-CB 3.78Å; Q79-A105 WeakPolarHBondContact O-CB 3.36Å; Q79-A105 PolarHBondContact O-N 2.89Å |
| 80 | V | 87.9 | Confident | 86.1 | Confident | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 151.1 | -175.8 | -62.3 | 0 | 0 | 0 | 0 | 111.1 | S33 G34 I36 L51 F72 Q78 V82 M102 Q103 | S33-V80 WeakPolarHBondContact CA-O 3.36Å; G34-V80 PolarHBondContact N-O 3.21Å; G34-V80 PolarHBondContact O-N 2.91Å; I36-V80 HydrophobicContact CD1-CB 4.29Å; I36-V80 HydrophobicContact CD1-CG1 3.55Å; I36-V80 HydrophobicContact CD1-CG2 3.77Å; I36-V80 HydrophobicContact CG1-CB 4.43Å; I36-V80 HydrophobicContact CG1-CG1 4.01Å; I36-V80 HydrophobicContact CG1-CG2 3.55Å; L51-V80 HydrophobicContact CD2-CG2 3.63Å; F72-V80 HydrophobicContact CE2-CG1 4.1Å; F72-V80 HydrophobicContact CZ-CG1 3.83Å; Q78-V80 HydrophobicContact CG-CG1 4.19Å; V80-V82 HydrophobicContact CG2-CG1 3.94Å; V80-M102 HydrophobicContact CB-CG 4.13Å; V80-M102 HydrophobicContact CG1-CG 4.27Å; V80-M102 HydrophobicContact CG1-SD 4.28Å; V80-M102 HydrophobicContact CG2-CE 4.48Å; V80-M102 HydrophobicContact CG2-CG 4.49Å; V80-Q103 CarbonylContact C-O 3.47Å; V80-Q103 WeakPolarHBondContact CA-O 3.3Å; V80-Q103 WeakPolarHBondContact CB-O 3.46Å |
| 81 | L | 87.1 | Confident | 86.2 | Confident | 32 Ų | 32 | 61.2 Ų | 61.2 | 17% | 0.168 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 121.9 | 167.4 | -176.7 | 67.6 | 0 | 0 | 0 | 108 | W31 I32 Q103 | W31-L81 HydrophobicContact CE3-CD1 4.33Å; W31-L81 HydrophobicContact CE3-CD2 4.05Å; W31-L81 HydrophobicContact CE3-CG 3.85Å; W31-L81 HydrophobicContact CZ3-CD2 4.18Å; W31-L81 HydrophobicContact CZ3-CG 4.2Å; I32-L81 WeakPolarHBondContact O-CA 3.38Å; L81-Q103 PolarHBondContact N-O 3.41Å; L81-Q103 PolarHBondContact O-N 3.44Å |
| 82 | V | 89 | Confident | 86.4 | Confident | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 144 | -179.8 | -57.5 | 0 | 0 | 0 | 0 | 111.6 | W31 I32 L51 V80 A84 V99 S101 M102 | W31-V82 CarbonylContact C-O 3.5Å; W31-V82 VanDerWaalsContact CA-O 3.31Å; W31-V82 WeakPolarHBondContact CA-O 3.3Å; I32-V82 HydrophobicContact CB-CG2 3.94Å; I32-V82 PolarHBondContact N-O 2.88Å; I32-V82 PolarHBondContact O-N 3.32Å; L51-V82 HydrophobicContact CD1-CG1 4.31Å; L51-V82 HydrophobicContact CD1-CG2 3.46Å; L51-V82 VanDerWaalsContact CD1-CG2 3.46Å; V80-V82 HydrophobicContact CG2-CG1 3.94Å; V82-A84 HydrophobicContact CG2-CB 4.42Å; V82-V99 HydrophobicContact CB-CG1 3.84Å; V82-V99 HydrophobicContact CB-CG2 4.22Å; V82-V99 HydrophobicContact CG1-CG1 4.01Å; V82-V99 HydrophobicContact CG1-CG2 4.45Å; V82-V99 HydrophobicContact CG2-CG2 4.16Å; V82-S101 WeakPolarHBondContact CA-O 3.4Å; V82-M102 HydrophobicContact CG1-CB 4.09Å; V82-M102 HydrophobicContact CG1-CE 4.01Å; V82-M102 HydrophobicContact CG1-CG 3.96Å |
| 83 | R | 90.2 | Very high | 86.6 | Confident | 76 Ų | 76 | 62.7 Ų | 62.7 | 29% | 0.287 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 124.5 | 165.6 | -164.3 | -178.4 | 75.7 | 174.5 | 4.6 | 108.5 | Q29 W31 E100 S101 | Q29-R83 HydrophobicContact CG-CG 3.87Å; W31-R83 HydrophobicContact CD2-CB 3.95Å; W31-R83 HydrophobicContact CD2-CG 4Å; W31-R83 HydrophobicContact CE3-CB 3.87Å; W31-R83 HydrophobicContact CE3-CG 4.43Å; W31-R83 HydrophobicContact CH2-CB 3.89Å; W31-R83 HydrophobicContact CH2-CG 4.32Å; W31-R83 HydrophobicContact CZ2-CB 3.92Å; W31-R83 VanDerWaalsContact CZ2-CD 3.5Å; W31-R83 HydrophobicContact CZ2-CG 3.83Å; W31-R83 HydrophobicContact CZ3-CB 3.86Å; R83-E100 IonicContact CZ-OE2 2.82Å; R83-E100 IonicContact NE-OE2 3.43Å; R83-E100 PolarHBondContact NE-OE2 2.91Å; R83-E100 IonicContact NH2-OE2 2.8Å; R83-E100 PolarHBondContact NH2-OE2 3.45Å; R83-E100 PolarHBondContact O-N 3.05Å; R83-S101 WeakPolarHBondContact CB-OG 3.34Å; R83-S101 PolarHBondContact N-O 2.74Å; R83-S101 PolarHBondContact O-N 2.7Å |
| 84 | A | 91.7 | Very high | 86.9 | Confident | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.1 | 158.4 | -168.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | V30 V82 I97 I98 V99 | V30-A84 WeakPolarHBondContact CG2-O 3.39Å; V30-A84 PolarHBondContact N-O 2.82Å; V30-A84 PolarHBondContact O-N 3.06Å; V82-A84 HydrophobicContact CG2-CB 4.42Å; A84-I97 HydrophobicContact CB-CG2 3.21Å; A84-I98 CarbonylContact C-O 3.42Å; A84-I98 WeakPolarHBondContact CA-O 3.33Å; A84-I98 VanDerWaalsContact CB-O 3.29Å; A84-I98 WeakPolarHBondContact CB-O 3.26Å; A84-V99 HydrophobicContact CB-CG2 4.05Å |
| 85 | N | 91.8 | Very high | 87.1 | Confident | 52 Ų | 52 | 60.6 Ų | 60.6 | 28% | 0.278 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 137.2 | 173.1 | -57.3 | -26.4 | 0 | 0 | 0 | 109.1 | Q29 I98 E100 | Q29-N85 WeakPolarHBondContact CB-OD1 3.32Å; N85-I98 PolarHBondContact N-O 3.46Å; N85-I98 PolarHBondContact O-N 3.38Å; N85-E100 PolarHBondContact ND2-OE1 2.86Å |
| 86 | I | 90.7 | Very high | 87.5 | Confident | 5 Ų | 5 | 56.2 Ų | 56.2 | 3% | 0.026 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 131.6 | -179.8 | -70.3 | 165.6 | 0 | 0 | 0 | 109 | L23 E24 M27 V30 Y95 I97 | L23-I86 HydrophobicContact CB-CG2 4.25Å; L23-I86 HydrophobicContact CD2-CG2 4.49Å; E24-I86 WeakPolarHBondContact CG-O 3.41Å; M27-I86 HydrophobicContact CB-CB 4.37Å; M27-I86 HydrophobicContact CB-CD1 3.68Å; M27-I86 HydrophobicContact CE-CD1 3.55Å; M27-I86 HydrophobicContact CG-CD1 3.96Å; V30-I86 HydrophobicContact CG1-CD1 4.04Å; V30-I86 HydrophobicContact CG2-CD1 3.71Å; V30-I86 HydrophobicContact CG2-CG1 3.93Å; I86-Y95 WeakPolarHBondContact CG1-OH 3.3Å; I86-Y95 HydrophobicContact CG2-CD2 4.31Å; I86-Y95 HydrophobicContact CG2-CE2 3.22Å; I86-Y95 WeakPolarHBondContact CG2-OH 3.5Å; I86-I97 HydrophobicContact CG1-CG1 4.42Å |
| 87 | T | 91 | Very high | 87.9 | Confident | 9 Ų | 9 | 50.7 Ų | 50.7 | 6% | 0.055 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 177 | 179.2 | -167.9 | 0 | 0 | 0 | 0 | 111.3 | E24 Q96 I98 | E24-T87 WeakPolarHBondContact OE1-CB 3.41Å; E24-T87 PolarHBondContact OE1-OG1 3.32Å; T87-Q96 CarbonylContact C-O 3.45Å; T87-Q96 HydrophobicContact CG2-CG 3.58Å; T87-Q96 PolarHBondContact N-O 2.96Å; T87-Q96 PolarHBondContact O-N 3.3Å; T87-I98 HydrophobicContact CG2-CD1 3.64Å; T87-I98 HydrophobicContact CG2-CG1 3.84Å |
| 88 | L | 88.9 | Confident | 88.5 | Confident | 16 Ų | 16 | 50.8 Ų | 50.8 | 8% | 0.084 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 130 | 177.5 | -179.4 | 139.5 | 0 | 0 | 0 | 110 | N16 V19 R20 L23 E90 | N16-L88 HydrophobicContact CB-CD2 3.87Å; V19-L88 HydrophobicContact CB-CD1 4.33Å; V19-L88 HydrophobicContact CG1-CD1 3.74Å; R20-L88 HydrophobicContact CB-CB 4.14Å; R20-L88 HydrophobicContact CG-CB 4.39Å; L23-L88 HydrophobicContact CD1-CB 4.24Å; L88-E90 PolarHBondContact O-N 2.97Å; L88-E90 VanDerWaalsContact O-N 3.08Å |
| 89 | Y | 87.8 | Confident | 88.9 | Confident | 105 Ų | 105 | 48.5 Ų | 48.5 | 41% | 0.412 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 94.1 | 177.7 | -174.3 | -119 | 0 | 0 | 0 | 110.1 | P91 R92 G93 D94 | Y89-P91 VanDerWaalsContact C-N 3.33Å; Y89-P91 HydrophobicContact CE1-CB 3.97Å; Y89-P91 HydrophobicContact CE1-CG 4Å; Y89-P91 HydrophobicContact CE2-CG 4Å; Y89-P91 VanDerWaalsContact O-N 3.13Å; Y89-R92 HydrophobicContact CD1-CB 3.94Å; Y89-R92 HydrophobicContact CD1-CG 4.03Å; Y89-R92 HydrophobicContact CE1-CB 4.36Å; Y89-R92 HydrophobicContact CE1-CG 3.95Å; Y89-R92 PolarHBondContact O-N 3.06Å; Y89-R92 VanDerWaalsContact O-N 3.09Å; Y89-G93 PolarHBondContact O-N 3.44Å; Y89-D94 PolarHBondContact N-O 2.95Å |
| 90 | E | 85.8 | Confident | 89.2 | Confident | 56 Ų | 56 | 44.8 Ų | 44.8 | 26% | 0.262 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -48.2 | -40.7 | -171.8 | -57.6 | -178.5 | 156.2 | 0 | 0 | 115.8 | N16 Q17 R20 L88 R92 | N16-E90 PolarHBondContact ND2-O 3.16Å; Q17-E90 WeakPolarHBondContact CG-OE1 3.42Å; R20-E90 IonicContact CZ-OE1 3.23Å; R20-E90 IonicContact NE-OE1 3.6Å; R20-E90 IonicContact NH1-OE1 3.88Å; R20-E90 PolarHBondContact NH1-OE1 3.43Å; R20-E90 IonicContact NH1-OE2 3.47Å; R20-E90 IonicContact NH2-OE1 2.93Å; R20-E90 PolarHBondContact NH2-OE1 3.24Å; L88-E90 PolarHBondContact O-N 2.97Å; L88-E90 VanDerWaalsContact O-N 3.08Å; E90-R92 VanDerWaalsContact C-N 3.28Å; E90-R92 PolarHBondContact O-N 2.98Å |
| 91 | P | 84.7 | Confident | 89.2 | Confident | 98 Ų | 98 | 46.3 Ų | 46.3 | 64% | 0.636 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.5 | -27.2 | -177 | -24.3 | 36.6 | 0 | 0 | 0 | 114.2 | Y89 | Y89-P91 VanDerWaalsContact C-N 3.33Å; Y89-P91 HydrophobicContact CE1-CB 3.97Å; Y89-P91 HydrophobicContact CE1-CG 4Å; Y89-P91 HydrophobicContact CE2-CG 4Å; Y89-P91 VanDerWaalsContact O-N 3.13Å |
| 92 | R | 83.8 | Confident | 89.2 | Confident | 183 Ų | 183 | 45.2 Ų | 45.2 | 69% | 0.691 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -111.9 | -16.1 | -179.9 | -67 | -176.5 | 175.4 | 176.1 | -1.7 | 113.8 | Y89 E90 D94 | Y89-R92 HydrophobicContact CD1-CB 3.94Å; Y89-R92 HydrophobicContact CD1-CG 4.03Å; Y89-R92 HydrophobicContact CE1-CB 4.36Å; Y89-R92 HydrophobicContact CE1-CG 3.95Å; Y89-R92 PolarHBondContact O-N 3.06Å; Y89-R92 VanDerWaalsContact O-N 3.09Å; E90-R92 VanDerWaalsContact C-N 3.28Å; E90-R92 PolarHBondContact O-N 2.98Å; R92-D94 HydrophobicContact CB-CB 4.42Å |
| 93 | G | 84.8 | Confident | 88.9 | Confident | 28 Ų | 28 | 48.6 Ų | 48.6 | 29% | 0.289 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 74 | 15.9 | -171.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y89 | Y89-G93 PolarHBondContact O-N 3.44Š|
| 94 | D | 88.7 | Confident | 88.3 | Confident | 56 Ų | 56 | 46.7 Ų | 46.7 | 30% | 0.299 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 130.8 | -177.4 | -77.6 | -10.5 | 0 | 0 | 0 | 110.7 | R59 Y89 R92 | R59-D94 IonicContact NH1-OD2 3.44Å; R59-D94 PolarHBondContact NH1-OD2 2.87Å; Y89-D94 PolarHBondContact N-O 2.95Å; R92-D94 HydrophobicContact CB-CB 4.42Å |
| 95 | Y | 88.3 | Confident | 87.2 | Confident | 97 Ų | 97 | 47.4 Ų | 47.4 | 38% | 0.38 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.1 | 132.4 | 168.8 | -178.7 | -105.2 | 0 | 0 | 0 | 110.7 | L23 V58 I86 I97 | L23-Y95 HydrophobicContact CD1-CD2 3.97Å; L23-Y95 HydrophobicContact CD1-CE2 4.15Å; L23-Y95 HydrophobicContact CD2-CE2 4.39Å; V58-Y95 HydrophobicContact CG2-CD1 3.66Å; V58-Y95 HydrophobicContact CG2-CE1 3.48Å; V58-Y95 VanDerWaalsContact CG2-CE1 3.48Å; I86-Y95 WeakPolarHBondContact CG1-OH 3.3Å; I86-Y95 HydrophobicContact CG2-CD2 4.31Å; I86-Y95 HydrophobicContact CG2-CE2 3.22Å; I86-Y95 WeakPolarHBondContact CG2-OH 3.5Å; Y95-I97 HydrophobicContact CE1-CD1 4.35Å; Y95-I97 HydrophobicContact CE1-CG1 4.19Å |
| 96 | Q | 91.1 | Very high | 85.8 | Confident | 40 Ų | 40 | 46.8 Ų | 46.8 | 19% | 0.187 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 157.8 | 178.9 | 69.6 | 176.2 | 10.1 | 0 | 0 | 112.3 | R59 T87 | R59-Q96 WeakPolarHBondContact O-CA 3.43Å; T87-Q96 CarbonylContact C-O 3.45Å; T87-Q96 HydrophobicContact CG2-CG 3.58Å; T87-Q96 PolarHBondContact N-O 2.96Å; T87-Q96 PolarHBondContact O-N 3.3Å |
| 97 | I | 92.4 | Very high | 84.5 | Confident | 3 Ų | 3 | 51.9 Ų | 51.9 | 2% | 0.015 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 125.5 | -179.1 | -65.7 | -172.2 | 0 | 0 | 0 | 109.8 | I32 V58 R59 C60 V61 A84 I86 Y95 V99 | I32-I97 HydrophobicContact CD1-CD1 3.36Å; I32-I97 HydrophobicContact CD1-CG2 4.35Å; V58-I97 HydrophobicContact CB-CD1 4.2Å; V58-I97 HydrophobicContact CG1-CD1 3.71Å; V58-I97 HydrophobicContact CG2-CB 4.48Å; V58-I97 HydrophobicContact CG2-CD1 3.49Å; V58-I97 VanDerWaalsContact CG2-CD1 3.49Å; V58-I97 HydrophobicContact CG2-CG1 3.61Å; R59-I97 PolarHBondContact O-N 3.39Å; C60-I97 CarbonylContact C-O 3.54Å; C60-I97 VanDerWaalsContact CA-O 3.28Å; C60-I97 WeakPolarHBondContact CA-O 3.45Å; V61-I97 PolarHBondContact N-O 3.29Å; A84-I97 HydrophobicContact CB-CG2 3.21Å; I86-I97 HydrophobicContact CG1-CG1 4.42Å; Y95-I97 HydrophobicContact CE1-CD1 4.35Å; Y95-I97 HydrophobicContact CE1-CG1 4.19Å; I97-V99 HydrophobicContact CG2-CG2 4.26Å |
| 98 | I | 93.1 | Very high | 83.2 | Confident | 40 Ų | 40 | 51.8 Ų | 51.8 | 21% | 0.205 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 109.9 | 175.8 | -63.8 | 172.1 | 0 | 0 | 0 | 108.9 | V61 F63 A84 N85 T87 | V61-I98 CarbonylContact O-C 3.58Å; V61-I98 WeakPolarHBondContact O-CA 3.31Å; F63-I98 HydrophobicContact CD2-CG2 3.86Å; F63-I98 HydrophobicContact CE2-CD1 4.07Å; F63-I98 HydrophobicContact CE2-CG1 4.22Å; F63-I98 HydrophobicContact CE2-CG2 3.58Å; A84-I98 CarbonylContact C-O 3.42Å; A84-I98 WeakPolarHBondContact CA-O 3.33Å; A84-I98 VanDerWaalsContact CB-O 3.29Å; A84-I98 WeakPolarHBondContact CB-O 3.26Å; N85-I98 PolarHBondContact N-O 3.46Å; N85-I98 PolarHBondContact O-N 3.38Å; T87-I98 HydrophobicContact CG2-CD1 3.64Å; T87-I98 HydrophobicContact CG2-CG1 3.84Å |
| 99 | V | 93.1 | Very high | 82.4 | Confident | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 126.8 | -178.4 | 177.6 | 0 | 0 | 0 | 0 | 110.9 | F49 C60 V61 M62 V82 A84 I97 S101 M102 | F49-V99 HydrophobicContact CZ-CB 4.41Å; F49-V99 HydrophobicContact CZ-CG2 3.87Å; C60-V99 HydrophobicContact CB-CG2 4.12Å; V61-V99 PolarHBondContact O-N 3Å; M62-V99 HydrophobicContact CB-CB 4.19Å; M62-V99 HydrophobicContact CE-CG1 4.03Å; M62-V99 HydrophobicContact CG-CB 4.23Å; M62-V99 HydrophobicContact CG-CG1 4.27Å; M62-V99 WeakPolarHBondContact CG-O 3.48Å; M62-V99 HydrophobicContact SD-CG1 4.05Å; V82-V99 HydrophobicContact CB-CG1 3.84Å; V82-V99 HydrophobicContact CB-CG2 4.22Å; V82-V99 HydrophobicContact CG1-CG1 4.01Å; V82-V99 HydrophobicContact CG1-CG2 4.45Å; V82-V99 HydrophobicContact CG2-CG2 4.16Å; A84-V99 HydrophobicContact CB-CG2 4.05Å; I97-V99 HydrophobicContact CG2-CG2 4.26Å; V99-S101 WeakPolarHBondContact CG1-O 3.21Å; V99-M102 HydrophobicContact CG1-CB 4.48Å |
| 100 | E | 91.3 | Very high | 81.9 | Confident | 45 Ų | 45 | 51.6 Ų | 51.6 | 21% | 0.21 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | -39.3 | 177.8 | -64.9 | -173 | 177.5 | 0 | 0 | 112.8 | Q29 S66 R69 R83 N85 | Q29-E100 VanDerWaalsContact NE2-CD 3.34Å; Q29-E100 PolarHBondContact NE2-OE1 3.5Å; Q29-E100 PolarHBondContact NE2-OE2 3.41Å; S66-E100 WeakPolarHBondContact CB-O 3.42Å; R69-E100 PolarHBondContact NH2-O 3.31Å; R83-E100 IonicContact CZ-OE2 2.82Å; R83-E100 IonicContact NE-OE2 3.43Å; R83-E100 PolarHBondContact NE-OE2 2.91Å; R83-E100 IonicContact NH2-OE2 2.8Å; R83-E100 PolarHBondContact NH2-OE2 3.45Å; R83-E100 PolarHBondContact O-N 3.05Å; N85-E100 PolarHBondContact ND2-OE1 2.86Å |
| 101 | S | 88.6 | Confident | 81.5 | Confident | 31 Ų | 31 | 53.8 Ų | 53.8 | 22% | 0.217 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 149.7 | 176.2 | 62.2 | 0 | 0 | 0 | 0 | 110.9 | V82 R83 V99 | V82-S101 WeakPolarHBondContact CA-O 3.4Å; R83-S101 WeakPolarHBondContact CB-OG 3.34Å; R83-S101 PolarHBondContact N-O 2.74Å; R83-S101 PolarHBondContact O-N 2.7Å; V99-S101 WeakPolarHBondContact CG1-O 3.21Å |
| 102 | M | 87.6 | Confident | 81.2 | Confident | 9 Ų | 9 | 54 Ų | 54 | 4% | 0.044 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 133.1 | -179.4 | 176.4 | -174.8 | -73.3 | 0 | 0 | 108.6 | I36 F49 M62 V70 F72 P74 V80 V82 V99 | I36-M102 HydrophobicContact CD1-CE 3.95Å; I36-M102 HydrophobicContact CD1-SD 4.02Å; F49-M102 HydrophobicContact CE1-CE 3.73Å; F49-M102 HydrophobicContact CE2-CE 3.69Å; F49-M102 HydrophobicContact CZ-CE 3.18Å; M62-M102 HydrophobicContact CE-CB 4.22Å; M62-M102 HydrophobicContact SD-CB 4.44Å; V70-M102 HydrophobicContact CG1-CB 4.35Å; V70-M102 HydrophobicContact CG2-CB 4.01Å; F72-M102 HydrophobicContact CE1-CG 3.98Å; F72-M102 HydrophobicContact CE1-SD 4.42Å; F72-M102 HydrophobicContact CE2-SD 4.29Å; F72-M102 HydrophobicContact CZ-CG 3.61Å; F72-M102 HydrophobicContact CZ-SD 3.71Å; P74-M102 HydrophobicContact CB-SD 3.87Å; P74-M102 HydrophobicContact CG-SD 4.18Å; V80-M102 HydrophobicContact CB-CG 4.13Å; V80-M102 HydrophobicContact CG1-CG 4.27Å; V80-M102 HydrophobicContact CG1-SD 4.28Å; V80-M102 HydrophobicContact CG2-CE 4.48Å; V80-M102 HydrophobicContact CG2-CG 4.49Å; V82-M102 HydrophobicContact CG1-CB 4.09Å; V82-M102 HydrophobicContact CG1-CE 4.01Å; V82-M102 HydrophobicContact CG1-CG 3.96Å; V99-M102 HydrophobicContact CG1-CB 4.48Å |
| 103 | Q | 81.3 | Confident | 81.3 | Confident | 71 Ų | 71 | 50.2 Ų | 50.2 | 33% | 0.332 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 151.2 | 176.9 | -69.3 | 174.6 | -15.4 | 0 | 0 | 109.4 | V80 L81 A105 | V80-Q103 CarbonylContact C-O 3.47Å; V80-Q103 WeakPolarHBondContact CA-O 3.3Å; V80-Q103 WeakPolarHBondContact CB-O 3.46Å; L81-Q103 PolarHBondContact N-O 3.41Å; L81-Q103 PolarHBondContact O-N 3.44Å; Q103-A105 PolarHBondContact O-N 3.39Å |
| 104 | P | 77.3 | Confident | 81.4 | Confident | 36 Ų | 36 | 50.8 Ų | 50.8 | 23% | 0.234 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.4 | 136.9 | 169.1 | -16.5 | 30.7 | 0 | 0 | 0 | 109.6 | F72 G106 E107 | F72-P104 HydrophobicContact CD1-CG 3.87Å; F72-P104 HydrophobicContact CE1-CG 3.89Å; F72-P104 HydrophobicContact CG-CG 4.25Å; F72-P104 HydrophobicContact CZ-CG 4.27Å; P104-G106 PolarHBondContact O-N 3.01Å; P104-G106 VanDerWaalsContact O-N 3.11Å; P104-E107 PolarHBondContact O-N 3.43Å |
| 105 | A | 69.1 | Low | 81.4 | Confident | 15 Ų | 15 | 53.4 Ų | 53.4 | 12% | 0.124 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -61.1 | -25.1 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q79 Q103 L109 | Q79-A105 HydrophobicContact CB-CB 3.94Å; Q79-A105 HydrophobicContact CG-CB 3.78Å; Q79-A105 WeakPolarHBondContact O-CB 3.36Å; Q79-A105 PolarHBondContact O-N 2.89Å; Q103-A105 PolarHBondContact O-N 3.39Å; A105-L109 VanDerWaalsContact O-CB 3.23Å; A105-L109 WeakPolarHBondContact O-CB 3.29Å; A105-L109 PolarHBondContact O-N 3.16Å |
| 106 | G | 63.5 | Low | 81.4 | Confident | 40 Ų | 40 | 54.2 Ų | 54.2 | 41% | 0.412 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -58.1 | -54.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | P104 L110 | P104-G106 PolarHBondContact O-N 3.01Å; P104-G106 VanDerWaalsContact O-N 3.11Å; G106-L110 VanDerWaalsContact O-CG 3.25Å; G106-L110 WeakPolarHBondContact O-CG 3.45Å; G106-L110 PolarHBondContact O-N 3.39Å; G106-L110 VanDerWaalsContact O-N 3.16Å |
| 107 | E | 61.4 | Low | 81.4 | Confident | 112 Ų | 112 | 53.5 Ų | 53.5 | 52% | 0.523 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -66.5 | -42.2 | -177.8 | -69.1 | -177 | 163.1 | 0 | 0 | 112.1 | P104 L110 Q111 | P104-E107 PolarHBondContact O-N 3.43Å; E107-L110 PolarHBondContact O-N 3.23Å; E107-Q111 WeakPolarHBondContact O-CB 3.42Å; E107-Q111 PolarHBondContact O-N 2.93Å |
| 108 | G | 65.7 | Low | 81.4 | Confident | 7 Ų | 7 | 56.4 Ų | 56.4 | 7% | 0.072 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -66.6 | -40.3 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q111 Q112 | G108-Q111 PolarHBondContact O-N 2.97Å; G108-Q112 WeakPolarHBondContact O-CB 3.36Å; G108-Q112 PolarHBondContact O-N 2.82Å |
| 109 | L | 71.6 | Confident | 81.3 | Confident | 87 Ų | 87 | 57.3 Ų | 57.3 | 46% | 0.455 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -66.7 | -41 | 177.1 | -175.5 | 68.8 | 0 | 0 | 0 | 111.4 | A105 Q112 K113 | A105-L109 VanDerWaalsContact O-CB 3.23Å; A105-L109 WeakPolarHBondContact O-CB 3.29Å; A105-L109 PolarHBondContact O-N 3.16Å; L109-Q112 PolarHBondContact O-N 2.88Å; L109-K113 HydrophobicContact CG-CD 4.35Å; L109-K113 WeakPolarHBondContact O-CB 3.49Å; L109-K113 VanDerWaalsContact O-CG 3.28Å; L109-K113 WeakPolarHBondContact O-CG 3.49Å; L109-K113 PolarHBondContact O-N 3.05Å |
| 110 | L | 75.9 | Confident | 81.3 | Confident | 29 Ų | 29 | 61.7 Ų | 61.7 | 15% | 0.152 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -63.5 | -47.4 | 175.1 | -68.1 | 173.5 | 0 | 0 | 0 | 110.3 | G106 E107 Q112 K113 Y114 E211 W214 | G106-L110 VanDerWaalsContact O-CG 3.25Å; G106-L110 WeakPolarHBondContact O-CG 3.45Å; G106-L110 PolarHBondContact O-N 3.39Å; G106-L110 VanDerWaalsContact O-N 3.16Å; E107-L110 PolarHBondContact O-N 3.23Å; L110-Q112 VanDerWaalsContact C-N 3.34Å; L110-Q112 PolarHBondContact O-N 2.95Å; L110-K113 PolarHBondContact O-N 2.98Å; L110-Y114 WeakPolarHBondContact O-CB 3.35Å; L110-Y114 PolarHBondContact O-N 3.47Å; L110-E211 HydrophobicContact CD1-CG 4.19Å; L110-W214 HydrophobicContact CB-CE3 4.01Å; L110-W214 HydrophobicContact CB-CH2 3.98Å; L110-W214 HydrophobicContact CB-CZ2 4.48Å; L110-W214 HydrophobicContact CB-CZ3 3.69Å; L110-W214 HydrophobicContact CD2-CD2 3.6Å; L110-W214 VanDerWaalsContact CD2-CE2 3.46Å; L110-W214 HydrophobicContact CD2-CE3 3.92Å; L110-W214 HydrophobicContact CD2-CG 4.15Å; L110-W214 HydrophobicContact CD2-CH2 4.08Å; L110-W214 HydrophobicContact CD2-CZ2 3.72Å; L110-W214 HydrophobicContact CD2-CZ3 4.15Å; L110-W214 HydrophobicContact CG-CD2 4.49Å; L110-W214 HydrophobicContact CG-CE3 4.37Å; L110-W214 HydrophobicContact CG-CZ3 4.45Å; L110-W214 WeakPolarHBondContact O-CH2 3.43Å; L110-W214 WeakPolarHBondContact O-CZ3 3.33Å |
| 111 | Q | 78.5 | Confident | 81.4 | Confident | 102 Ų | 102 | 59.6 Ų | 59.6 | 48% | 0.477 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -59.6 | -43.5 | 177.6 | -173.1 | 173 | 0.5 | 0 | 0 | 112.5 | E107 G108 Y114 E115 | E107-Q111 WeakPolarHBondContact O-CB 3.42Å; E107-Q111 PolarHBondContact O-N 2.93Å; G108-Q111 PolarHBondContact O-N 2.97Å; Q111-Y114 WeakPolarHBondContact O-CB 3.3Å; Q111-Y114 PolarHBondContact O-N 2.86Å; Q111-E115 PolarHBondContact O-N 3.01Å |
| 112 | Q | 79.1 | Confident | 81.6 | Confident | 103 Ų | 103 | 63.6 Ų | 63.6 | 48% | 0.481 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -63.1 | -44 | 176.5 | -172.9 | -178.8 | 6.9 | 0 | 0 | 111.9 | G108 L109 L110 Y114 E115 Q116 | G108-Q112 WeakPolarHBondContact O-CB 3.36Å; G108-Q112 PolarHBondContact O-N 2.82Å; L109-Q112 PolarHBondContact O-N 2.88Å; L110-Q112 VanDerWaalsContact C-N 3.34Å; L110-Q112 PolarHBondContact O-N 2.95Å; Q112-Y114 VanDerWaalsContact C-N 3.29Å; Q112-Y114 PolarHBondContact O-N 2.91Å; Q112-E115 PolarHBondContact O-N 3.36Å; Q112-Q116 HydrophobicContact CG-CG 4.47Å; Q112-Q116 WeakPolarHBondContact O-CB 3.45Å; Q112-Q116 VanDerWaalsContact O-CG 3.26Å; Q112-Q116 WeakPolarHBondContact O-CG 3.37Å; Q112-Q116 PolarHBondContact O-N 3.24Å |
| 113 | K | 84.7 | Confident | 81.8 | Confident | 104 Ų | 104 | 67.5 Ų | 67.5 | 45% | 0.452 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -60.5 | -40.1 | 175.1 | -77.6 | 177.4 | 177.7 | -179.6 | 0 | 111.6 | L109 L110 L117 W214 | L109-K113 HydrophobicContact CG-CD 4.35Å; L109-K113 WeakPolarHBondContact O-CB 3.49Å; L109-K113 VanDerWaalsContact O-CG 3.28Å; L109-K113 WeakPolarHBondContact O-CG 3.49Å; L109-K113 PolarHBondContact O-N 3.05Å; L110-K113 PolarHBondContact O-N 2.98Å; K113-L117 VanDerWaalsContact O-CB 3.25Å; K113-L117 WeakPolarHBondContact O-CB 3.46Å; K113-L117 PolarHBondContact O-N 3.32Å; K113-W214 HydrophobicContact CB-CH2 4.02Å; K113-W214 HydrophobicContact CB-CZ2 3.94Å |
| 114 | Y | 87.7 | Confident | 82.3 | Confident | 40 Ų | 40 | 68.3 Ų | 68.3 | 16% | 0.157 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -63 | -49.1 | 177.1 | 170.2 | -92.4 | 0 | 0 | 0 | 111.1 | L110 Q111 Q112 L117 K118 N217 V242 I244 | L110-Y114 WeakPolarHBondContact O-CB 3.35Å; L110-Y114 PolarHBondContact O-N 3.47Å; Q111-Y114 WeakPolarHBondContact O-CB 3.3Å; Q111-Y114 PolarHBondContact O-N 2.86Å; Q112-Y114 VanDerWaalsContact C-N 3.29Å; Q112-Y114 PolarHBondContact O-N 2.91Å; Y114-L117 PolarHBondContact O-N 2.83Å; Y114-K118 HydrophobicContact CE1-CD 4.09Å; Y114-K118 WeakPolarHBondContact O-CB 3.42Å; Y114-K118 PolarHBondContact O-N 2.97Å; Y114-N217 HydrophobicContact CD2-CB 4.36Å; Y114-V242 PolarHBondContact OH-O 3.45Å; Y114-I244 HydrophobicContact CD2-CD1 4.1Å; Y114-I244 HydrophobicContact CD2-CG1 3.9Å; Y114-I244 HydrophobicContact CE2-CD1 4.46Å; Y114-I244 HydrophobicContact CE2-CG1 3.77Å |
| 115 | E | 88 | Confident | 83 | Confident | 110 Ų | 110 | 67 Ų | 67 | 51% | 0.514 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -64.5 | -42.4 | 179.8 | -73 | -177.8 | -174.9 | 0 | 0 | 111.9 | Q111 Q112 K118 A119 | Q111-E115 PolarHBondContact O-N 3.01Å; Q112-E115 PolarHBondContact O-N 3.36Å; E115-K118 PolarHBondContact O-N 2.8Å; E115-A119 WeakPolarHBondContact O-CB 3.27Å; E115-A119 PolarHBondContact O-N 3.11Å |
| 116 | Q | 89.3 | Confident | 84.1 | Confident | 114 Ų | 114 | 66.9 Ų | 66.9 | 53% | 0.533 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -61.2 | -46.7 | 175.5 | -75.3 | 175.8 | -7.6 | 0 | 0 | 111.8 | Q112 A119 K120 | Q112-Q116 HydrophobicContact CG-CG 4.47Å; Q112-Q116 WeakPolarHBondContact O-CB 3.45Å; Q112-Q116 VanDerWaalsContact O-CG 3.26Å; Q112-Q116 WeakPolarHBondContact O-CG 3.37Å; Q112-Q116 PolarHBondContact O-N 3.24Å; Q116-A119 PolarHBondContact O-N 3.45Å; Q116-K120 WeakPolarHBondContact O-CB 3.39Å; Q116-K120 PolarHBondContact O-N 3.33Å |
| 117 | L | 90.9 | Very high | 85.5 | Confident | 25 Ų | 25 | 66.3 Ų | 66.3 | 13% | 0.131 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -69.1 | -40 | -180 | -176.2 | 59.2 | 0 | 0 | 0 | 111.6 | K113 Y114 A119 K120 L121 N217 E219 I244 | K113-L117 VanDerWaalsContact O-CB 3.25Å; K113-L117 WeakPolarHBondContact O-CB 3.46Å; K113-L117 PolarHBondContact O-N 3.32Å; Y114-L117 PolarHBondContact O-N 2.83Å; L117-A119 PolarHBondContact O-N 2.87Å; L117-K120 HydrophobicContact CD1-CD 4.41Å; L117-K120 PolarHBondContact O-N 3.36Å; L117-L121 HydrophobicContact CD1-CD1 3.96Å; L117-L121 HydrophobicContact CD1-CD2 4.33Å; L117-L121 HydrophobicContact CD1-CG 3.88Å; L117-L121 HydrophobicContact CG-CD1 3.97Å; L117-L121 HydrophobicContact CG-CG 4.26Å; L117-L121 WeakPolarHBondContact O-CB 3.43Å; L117-L121 WeakPolarHBondContact O-CG 3.17Å; L117-L121 PolarHBondContact O-N 2.82Å; L117-N217 WeakPolarHBondContact CD2-O 3.38Å; L117-E219 HydrophobicContact CD1-CB 3.86Å; L117-E219 HydrophobicContact CD1-CG 3.97Å; L117-E219 HydrophobicContact CD2-CB 4.1Å; L117-I244 HydrophobicContact CB-CD1 3.85Å; L117-I244 HydrophobicContact CD2-CD1 3.41Å; L117-I244 VanDerWaalsContact CD2-CD1 3.41Å; L117-I244 HydrophobicContact CG-CD1 3.58Å |
| 118 | K | 92 | Very high | 86.9 | Confident | 64 Ų | 64 | 64 Ų | 64 | 28% | 0.278 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -57.9 | -48.3 | 173.5 | -176.4 | -178.8 | 179.9 | 179.5 | 0 | 110.9 | Y114 E115 K120 Q122 F127 F247 | Y114-K118 HydrophobicContact CE1-CD 4.09Å; Y114-K118 WeakPolarHBondContact O-CB 3.42Å; Y114-K118 PolarHBondContact O-N 2.97Å; E115-K118 PolarHBondContact O-N 2.8Å; K118-K120 PolarHBondContact O-N 2.9Å; K118-Q122 WeakPolarHBondContact O-CB 3.29Å; K118-Q122 PolarHBondContact O-N 3.23Å; K118-F127 HydrophobicContact CG-CE2 3.9Å; K118-F127 HydrophobicContact CG-CZ 4.37Å; K118-F127 WeakPolarHBondContact O-CE2 3.3Å; K118-F247 HydrophobicContact CD-CE2 4.42Å |
| 119 | A | 91.3 | Very high | 88.1 | Confident | 59 Ų | 59 | 70.5 Ų | 70.5 | 49% | 0.488 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -62.3 | -42.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | E115 Q116 L117 A123 | E115-A119 WeakPolarHBondContact O-CB 3.27Å; E115-A119 PolarHBondContact O-N 3.11Å; Q116-A119 PolarHBondContact O-N 3.45Å; L117-A119 PolarHBondContact O-N 2.87Å; A119-A123 WeakPolarHBondContact O-CB 3.42Å; A119-A123 PolarHBondContact O-N 3.11Å |
| 120 | K | 93.5 | Very high | 89 | Confident | 93 Ų | 93 | 73.1 Ų | 73.1 | 40% | 0.404 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -60.1 | -53.5 | 176.7 | 179.7 | -174.7 | 171.2 | -166.7 | 0 | 112 | Q116 L117 K118 Q122 A123 E124 E219 | Q116-K120 WeakPolarHBondContact O-CB 3.39Å; Q116-K120 PolarHBondContact O-N 3.33Å; L117-K120 HydrophobicContact CD1-CD 4.41Å; L117-K120 PolarHBondContact O-N 3.36Å; K118-K120 PolarHBondContact O-N 2.9Å; K120-Q122 VanDerWaalsContact C-N 3.33Å; K120-Q122 PolarHBondContact O-N 3.35Å; K120-A123 PolarHBondContact O-N 2.91Å; K120-E124 WeakPolarHBondContact CE-OE1 3.47Å; K120-E124 PolarHBondContact O-N 3.42Å; K120-E124 VanDerWaalsContact O-N 3.08Å; K120-E219 IonicContact NZ-OE1 3.18Å; K120-E219 PolarHBondContact NZ-OE1 2.87Å; K120-E219 IonicContact NZ-OE2 2.99Å; K120-E219 PolarHBondContact NZ-OE2 3.29Å |
| 121 | L | 92.9 | Very high | 89.7 | Confident | 0 Ų | 0 | 77.6 Ų | 77.6 | 0% | 0 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -69.7 | -31.2 | -177.3 | -63.9 | -179.2 | 0 | 0 | 0 | 112.6 | L117 E124 G125 L126 F127 E219 A222 I244 | L117-L121 HydrophobicContact CD1-CD1 3.96Å; L117-L121 HydrophobicContact CD1-CD2 4.33Å; L117-L121 HydrophobicContact CD1-CG 3.88Å; L117-L121 HydrophobicContact CG-CD1 3.97Å; L117-L121 HydrophobicContact CG-CG 4.26Å; L117-L121 WeakPolarHBondContact O-CB 3.43Å; L117-L121 WeakPolarHBondContact O-CG 3.17Å; L117-L121 PolarHBondContact O-N 2.82Å; L121-E124 PolarHBondContact O-N 3.46Å; L121-G125 PolarHBondContact O-N 3.49Å; L121-L126 HydrophobicContact CD2-CD2 4.15Å; L121-L126 PolarHBondContact O-N 3.17Å; L121-L126 VanDerWaalsContact O-N 3.14Å; L121-F127 HydrophobicContact CB-CE1 3.87Å; L121-F127 HydrophobicContact CB-CE2 4.41Å; L121-F127 HydrophobicContact CB-CZ 3.65Å; L121-E219 HydrophobicContact CD2-CG 4.32Å; L121-A222 HydrophobicContact CD1-CB 3.71Å; L121-I244 HydrophobicContact CD1-CG2 3.54Å |
| 122 | Q | 92.6 | Very high | 90.3 | Very high | 115 Ų | 115 | 74.9 Ų | 74.9 | 54% | 0.537 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -64.6 | -42.7 | 171 | -172.2 | 170.2 | -10.3 | 0 | 0 | 111.5 | K118 K120 E124 G125 F127 | K118-Q122 WeakPolarHBondContact O-CB 3.29Å; K118-Q122 PolarHBondContact O-N 3.23Å; K120-Q122 VanDerWaalsContact C-N 3.33Å; K120-Q122 PolarHBondContact O-N 3.35Å; Q122-E124 VanDerWaalsContact C-N 3.28Å; Q122-E124 PolarHBondContact O-N 2.93Å; Q122-G125 PolarHBondContact O-N 3.08Å; Q122-F127 HydrophobicContact CB-CD2 3.58Å; Q122-F127 HydrophobicContact CB-CE2 3.65Å; Q122-F127 HydrophobicContact CG-CD2 3.95Å; Q122-F127 HydrophobicContact CG-CE2 4.45Å |
| 123 | A | 92.5 | Very high | 91 | Very high | 91 Ų | 91 | 73.4 Ų | 73.4 | 75% | 0.752 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -65.9 | -30.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | A119 K120 G125 | A119-A123 WeakPolarHBondContact O-CB 3.42Å; A119-A123 PolarHBondContact O-N 3.11Å; K120-A123 PolarHBondContact O-N 2.91Å; A123-G125 PolarHBondContact O-N 2.85Å |
| 124 | E | 91.9 | Very high | 91.3 | Very high | 88 Ų | 88 | 74 Ų | 74 | 41% | 0.411 | 38% | 0.377 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75 | -10 | 172 | -69.7 | 179.4 | -151.1 | 0 | 0 | 113.4 | K120 L121 Q122 L126 R223 | K120-E124 WeakPolarHBondContact CE-OE1 3.47Å; K120-E124 PolarHBondContact O-N 3.42Å; K120-E124 VanDerWaalsContact O-N 3.08Å; L121-E124 PolarHBondContact O-N 3.46Å; Q122-E124 VanDerWaalsContact C-N 3.28Å; Q122-E124 PolarHBondContact O-N 2.93Å; E124-L126 HydrophobicContact CB-CD1 3.51Å; E124-R223 VanDerWaalsContact CD-NH2 3.32Å; E124-R223 IonicContact OE1-NH2 2.98Å; E124-R223 PolarHBondContact OE1-NH2 3.16Å; E124-R223 IonicContact OE2-CZ 3.24Å; E124-R223 VanDerWaalsContact OE2-CZ 3.23Å; E124-R223 IonicContact OE2-NH1 3.34Å; E124-R223 PolarHBondContact OE2-NH1 3.23Å; E124-R223 IonicContact OE2-NH2 3.77Å; E124-R223 PolarHBondContact OE2-NH2 3.34Å |
| 125 | G | 90.6 | Very high | 91.4 | Very high | 9 Ų | 9 | 74.4 Ų | 74.4 | 9% | 0.093 | 38% | 0.381 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 82.4 | 10.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | L121 Q122 A123 F127 D128 Y131 | L121-G125 PolarHBondContact O-N 3.49Å; Q122-G125 PolarHBondContact O-N 3.08Å; A123-G125 PolarHBondContact O-N 2.85Å; G125-F127 PolarHBondContact O-N 3.07Å; G125-F127 VanDerWaalsContact O-N 3.12Å; G125-D128 WeakPolarHBondContact O-CB 3.46Å; G125-D128 VanDerWaalsContact O-CG 3.29Å; G125-D128 PolarHBondContact O-N 3.27Å; G125-Y131 WeakPolarHBondContact O-CD2 3.45Å |
| 126 | L | 92.6 | Very high | 91.4 | Very high | 12 Ų | 12 | 71 Ų | 71 | 6% | 0.063 | 37% | 0.368 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -17.9 | -178.3 | -87.5 | 78 | 0 | 0 | 0 | 113.5 | L121 E124 R223 F226 | L121-L126 HydrophobicContact CD2-CD2 4.15Å; L121-L126 PolarHBondContact O-N 3.17Å; L121-L126 VanDerWaalsContact O-N 3.14Å; E124-L126 HydrophobicContact CB-CD1 3.51Å; L126-R223 HydrophobicContact CD2-CG 4.39Å; L126-F226 HydrophobicContact CB-CD2 4.12Å; L126-F226 HydrophobicContact CB-CE2 4.36Å; L126-F226 HydrophobicContact CD2-CB 4.08Å; L126-F226 HydrophobicContact CD2-CD2 4.45Å; L126-F226 HydrophobicContact CD2-CG 4.15Å; L126-F226 HydrophobicContact CG-CB 4.42Å; L126-F226 HydrophobicContact CG-CD1 4.31Å; L126-F226 HydrophobicContact CG-CD2 3.9Å; L126-F226 HydrophobicContact CG-CE2 4.2Å; L126-F226 HydrophobicContact CG-CG 3.95Å |
| 127 | F | 93.6 | Very high | 91.1 | Very high | 29 Ų | 29 | 71.4 Ų | 71.4 | 13% | 0.127 | 38% | 0.384 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.4 | -3.6 | 179 | -52.8 | -23.2 | 0 | 0 | 0 | 112.7 | K118 L121 Q122 G125 Q129 I244 F247 V248 | K118-F127 HydrophobicContact CG-CE2 3.9Å; K118-F127 HydrophobicContact CG-CZ 4.37Å; K118-F127 WeakPolarHBondContact O-CE2 3.3Å; L121-F127 HydrophobicContact CB-CE1 3.87Å; L121-F127 HydrophobicContact CB-CE2 4.41Å; L121-F127 HydrophobicContact CB-CZ 3.65Å; Q122-F127 HydrophobicContact CB-CD2 3.58Å; Q122-F127 HydrophobicContact CB-CE2 3.65Å; Q122-F127 HydrophobicContact CG-CD2 3.95Å; Q122-F127 HydrophobicContact CG-CE2 4.45Å; G125-F127 PolarHBondContact O-N 3.07Å; G125-F127 VanDerWaalsContact O-N 3.12Å; F127-Q129 PolarHBondContact O-N 2.88Å; F127-I244 HydrophobicContact CE1-CG2 4.35Å; F127-I244 HydrophobicContact CZ-CG2 4.4Å; F127-F247 HydrophobicContact CD1-CB 3.54Å; F127-F247 HydrophobicContact CD2-CB 4.25Å; F127-F247 HydrophobicContact CE1-CB 3.67Å; F127-F247 HydrophobicContact CE2-CB 4.33Å; F127-F247 HydrophobicContact CG-CB 3.88Å; F127-F247 HydrophobicContact CZ-CB 4.07Å; F127-V248 HydrophobicContact CD1-CG2 3.78Å; F127-V248 HydrophobicContact CE1-CG2 3.5Å; F127-V248 VanDerWaalsContact CE1-CG2 3.5Å |
| 128 | D | 90.7 | Very high | 90.6 | Very high | 62 Ų | 62 | 72.7 Ų | 72.7 | 33% | 0.332 | 39% | 0.394 | S | S | . | . | trans | -66.3 | 132.8 | -173.6 | -65.9 | -15.9 | 0 | 0 | 0 | 111.2 | G125 Q130 Y131 | G125-D128 WeakPolarHBondContact O-CB 3.46Å; G125-D128 VanDerWaalsContact O-CG 3.29Å; G125-D128 PolarHBondContact O-N 3.27Å; D128-Q130 HydrophobicContact CB-CG 3.89Å; D128-Q130 PolarHBondContact O-N 2.94Å; D128-Q130 PolarHBondContact OD2-NE2 3.38Å; D128-Q130 VanDerWaalsContact OD2-NE2 3.13Å; D128-Y131 HydrophobicContact CB-CD2 3.86Å; D128-Y131 HydrophobicContact CB-CE2 4.1Å; D128-Y131 PolarHBondContact O-N 3.49Å; D128-Y131 VanDerWaalsContact O-N 3.13Å | ||
| 129 | Q | 89.7 | Confident | 90.5 | Very high | 145 Ų | 145 | 69.7 Ų | 69.7 | 68% | 0.678 | 38% | 0.381 | S | S | * | . | G | 310 helix | trans | -58.6 | -24.6 | -178.9 | -166.2 | 63.3 | 34.6 | 0 | 0 | 113.1 | F127 Y131 K132 | F127-Q129 PolarHBondContact O-N 2.88Å; Q129-Y131 VanDerWaalsContact C-N 3.27Å; Q129-Y131 PolarHBondContact O-N 3.44Å; Q129-K132 PolarHBondContact O-N 3.35Å |
| 130 | Q | 90.8 | Very high | 90.5 | Very high | 142 Ų | 142 | 73 Ų | 73 | 66% | 0.664 | 39% | 0.386 | S | S | * | . | G | 310 helix | trans | -66.2 | -25.3 | -179.7 | 68.7 | -172.1 | -27.8 | 0 | 0 | 114.1 | D128 | D128-Q130 HydrophobicContact CB-CG 3.89Å; D128-Q130 PolarHBondContact O-N 2.94Å; D128-Q130 PolarHBondContact OD2-NE2 3.38Å; D128-Q130 VanDerWaalsContact OD2-NE2 3.13Å |
| 131 | Y | 90.4 | Very high | 90.5 | Very high | 123 Ų | 123 | 69.3 Ų | 69.3 | 48% | 0.482 | 37% | 0.372 | S | S | . | . | G | 310 helix | trans | -91.1 | -10.9 | 179.2 | -61.2 | -63.7 | 0 | 0 | 0 | 112.7 | G125 D128 Q129 F226 | G125-Y131 WeakPolarHBondContact O-CD2 3.45Å; D128-Y131 HydrophobicContact CB-CD2 3.86Å; D128-Y131 HydrophobicContact CB-CE2 4.1Å; D128-Y131 PolarHBondContact O-N 3.49Å; D128-Y131 VanDerWaalsContact O-N 3.13Å; Q129-Y131 VanDerWaalsContact C-N 3.27Å; Q129-Y131 PolarHBondContact O-N 3.44Å; Y131-F226 HydrophobicContact CD1-CZ 4.14Å; Y131-F226 AromaticContact CD2-CE2 3.93Å; Y131-F226 HydrophobicContact CD2-CE2 3.93Å; Y131-F226 AromaticContact CD2-CZ 3.89Å; Y131-F226 HydrophobicContact CD2-CZ 3.89Å; Y131-F226 HydrophobicContact CE2-CZ 4.48Å; Y131-F226 AromaticContact CG-CE2 3.83Å; Y131-F226 HydrophobicContact CG-CE2 3.83Å; Y131-F226 AromaticContact CG-CZ 3.71Å; Y131-F226 HydrophobicContact CG-CZ 3.71Å |
| 132 | K | 92.4 | Very high | 90.6 | Very high | 45 Ų | 45 | 69.3 Ų | 69.3 | 20% | 0.196 | 37% | 0.372 | C | S | . | . | P | Polyproline II helix | trans | -74.5 | 127.6 | -178.8 | -60 | -163.7 | 179.7 | -144.5 | 0 | 110.9 | Q129 F247 A249 D250 | Q129-K132 PolarHBondContact O-N 3.35Å; K132-F247 PolarHBondContact NZ-O 3.44Å; K132-A249 WeakPolarHBondContact CE-O 3.26Å; K132-A249 PolarHBondContact NZ-O 2.71Å; K132-D250 WeakPolarHBondContact CA-OD1 3.37Å |
| 133 | K | 92.4 | Very high | 90.8 | Very high | 71 Ų | 71 | 63.9 Ų | 63.9 | 31% | 0.309 | 35% | 0.346 | S | S | . | . | P | Polyproline II helix | trans | -82.9 | 142.4 | -177.8 | -63.1 | 171.7 | -175.6 | -176.1 | 0 | 111.1 | S228 R229 P231 D250 | K133-S228 PolarHBondContact NZ-O 3.4Å; K133-R229 VanDerWaalsContact NZ-C 3.34Å; K133-R229 VanDerWaalsContact NZ-CA 3.29Å; K133-R229 PolarHBondContact NZ-O 3.37Å; K133-P231 HydrophobicContact CB-CB 4.26Å; K133-P231 HydrophobicContact CB-CG 3.97Å; K133-P231 HydrophobicContact CD-CG 4.42Å; K133-D250 PolarHBondContact N-OD1 3.04Å |
| 134 | P | 91.8 | Very high | 91 | Very high | 117 Ų | 117 | 59.6 Ų | 59.6 | 76% | 0.76 | 31% | 0.311 | S | S | * | . | P | Polyproline II helix | trans | -67 | 136.7 | 172.7 | 28.8 | -33.5 | 0 | 0 | 0 | 110.1 | ||
| 135 | L | 90.1 | Very high | 91.2 | Very high | 48 Ų | 48 | 55.4 Ų | 55.4 | 25% | 0.251 | 29% | 0.291 | S | S | . | . | P | Polyproline II helix | trans | -72.4 | 141.3 | 174.2 | -67.6 | 172.5 | 0 | 0 | 0 | 110.8 | S137 V200 P231 V233 L251 V262 | L135-S137 PolarHBondContact O-N 2.9Å; L135-V200 HydrophobicContact CD2-CG2 3.68Å; L135-P231 HydrophobicContact CD2-CB 3.88Å; L135-V233 HydrophobicContact CD1-CG2 4.09Å; L135-V233 HydrophobicContact CD2-CG2 3.64Å; L135-L251 HydrophobicContact CD1-CB 3.78Å; L135-L251 HydrophobicContact CD1-CD2 3.41Å; L135-L251 VanDerWaalsContact CD1-CD2 3.41Å; L135-L251 HydrophobicContact CD1-CG 4.13Å; L135-V262 HydrophobicContact CD1-CG1 3.99Å |
| 136 | P | 87.3 | Confident | 91.3 | Very high | 38 Ų | 38 | 55 Ų | 55 | 25% | 0.247 | 29% | 0.287 | C | S | . | . | P | Polyproline II helix | trans | -65 | 129.1 | 172.6 | 28.5 | -34.2 | 0 | 0 | 0 | 109.9 | P138 A139 D199 V200 | P136-P138 CarbonylContact O-C 3.51Å; P136-A139 HydrophobicContact CG-CB 4.09Å; P136-A139 PolarHBondContact O-N 3.09Å; P136-D199 HydrophobicContact CG-CB 4.13Å; P136-V200 HydrophobicContact CG-CB 4.08Å; P136-V200 HydrophobicContact CG-CG1 4.49Å |
| 137 | S | 83.5 | Confident | 91.3 | Very high | 123 Ų | 123 | 55.8 Ų | 55.8 | 86% | 0.86 | 29% | 0.294 | S | S | * | . | S | Bend | trans | -127.9 | 103.6 | 175.9 | -174 | 0 | 0 | 0 | 0 | 109.7 | L135 | L135-S137 PolarHBondContact O-N 2.9Š|
| 138 | P | 80.7 | Confident | 91.1 | Very high | 53 Ų | 53 | 62.2 Ų | 62.2 | 34% | 0.344 | 32% | 0.321 | S | S | . | . | S | Bend | cis | -79.3 | 157.8 | -4.3 | 34.6 | -35.9 | 0 | 0 | 0 | 113.6 | P136 R265 | P136-P138 CarbonylContact O-C 3.51Å; P138-R265 VanDerWaalsContact CB-CD 3.49Å; P138-R265 HydrophobicContact CB-CG 3.2Å; P138-R265 HydrophobicContact CG-CG 4.01Å |
| 139 | A | 89 | Confident | 90.7 | Very high | 0 Ų | 0 | 65.2 Ų | 65.2 | 0% | 0 | 34% | 0.342 | C | S | . | . | trans | -70 | 146.8 | 164.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | P136 V142 L167 D199 V200 | P136-A139 HydrophobicContact CG-CB 4.09Å; P136-A139 PolarHBondContact O-N 3.09Å; A139-V142 HydrophobicContact CB-CG2 4.21Å; A139-L167 HydrophobicContact CB-CD1 4.38Å; A139-L167 WeakPolarHBondContact O-CD1 3.28Å; A139-D199 WeakPolarHBondContact CA-OD2 3.4Å; A139-V200 HydrophobicContact CB-CG1 3.77Å | ||
| 140 | H | 90.8 | Very high | 90.3 | Very high | 130 Ų | 130 | 59 Ų | 59 | 60% | 0.602 | 32% | 0.317 | S | S | * | . | S | Bend | trans | -104.2 | -24.9 | 178.5 | -61.7 | 85.1 | 0 | 0 | 0 | 112.2 | P168 D199 | H140-P168 WeakPolarHBondContact O-CD 3.25Å; H140-D199 IonicContact CG-OD2 3.27Å; H140-D199 VanDerWaalsContact N-CG 3.31Å; H140-D199 PolarHBondContact N-OD1 3.34Å; H140-D199 VanDerWaalsContact N-OD1 3.14Å; H140-D199 PolarHBondContact N-OD2 3.4Å; H140-D199 IonicContact ND1-OD2 2.59Å; H140-D199 PolarHBondContact ND1-OD2 3.33Å |
| 141 | C | 94.4 | Very high | 90.1 | Very high | 15 Ų | 15 | 55.5 Ų | 55.5 | 10% | 0.101 | 31% | 0.312 | C | S | . | . | trans | -158 | 119.9 | 174.1 | -179.1 | 0 | 0 | 0 | 0 | 111.3 | P168 E197 C198 D199 | C141-P168 WeakPolarHBondContact CA-O 3.44Å; C141-P168 HydrophobicContact CB-CB 4.33Å; C141-E197 WeakPolarHBondContact CB-O 3.39Å; C141-E197 PolarHBondContact SG-O 3.49Å; C141-E197 VanDerWaalsContact SG-O 3.33Å; C141-C198 CarbonylContact O-C 3.58Å; C141-C198 VanDerWaalsContact O-CA 3.22Å; C141-C198 WeakPolarHBondContact O-CA 3.43Å; C141-C198 WeakPolarHBondContact O-CB 3.29Å; C141-D199 VanDerWaalsContact C-OD1 3.29Å; C141-D199 PolarHBondContact N-OD1 2.92Å; C141-D199 PolarHBondContact O-N 3.25Å | ||
| 142 | V | 95.5 | Very high | 90 | Very high | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 128.8 | -178.6 | 179.7 | 0 | 0 | 0 | 0 | 110.4 | A139 V144 L167 P168 V169 I170 V200 I202 V263 | A139-V142 HydrophobicContact CB-CG2 4.21Å; V142-V144 HydrophobicContact CG1-CG2 4.06Å; V142-L167 HydrophobicContact CG2-CD1 4.28Å; V142-L167 HydrophobicContact CG2-CD2 3.45Å; V142-L167 VanDerWaalsContact CG2-CD2 3.45Å; V142-L167 HydrophobicContact CG2-CG 3.96Å; V142-P168 PolarHBondContact N-O 3.27Å; V142-V169 CarbonylContact O-C 3.58Å; V142-V169 WeakPolarHBondContact O-CA 3.35Å; V142-I170 PolarHBondContact O-N 2.99Å; V142-V200 HydrophobicContact CB-CG1 4.33Å; V142-V200 HydrophobicContact CG1-CG1 4.31Å; V142-V200 HydrophobicContact CG2-CG1 3.75Å; V142-I202 HydrophobicContact CG1-CD1 3.84Å; V142-I202 HydrophobicContact CG1-CG1 3.98Å; V142-V263 HydrophobicContact CG1-CG2 4.32Å; V142-V263 HydrophobicContact CG2-CB 4.12Å; V142-V263 HydrophobicContact CG2-CG2 3.73Å |
| 143 | G | 96 | Very high | 90.1 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 132 | 166.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | I170 C198 V200 L201 I202 | G143-I170 CarbonylContact C-O 3.01Å; G143-I170 VanDerWaalsContact CA-O 3.3Å; G143-I170 WeakPolarHBondContact CA-O 3.26Å; G143-C198 VanDerWaalsContact CA-SG 3.52Å; G143-V200 PolarHBondContact N-O 3.34Å; G143-L201 CarbonylContact O-C 3.32Å; G143-L201 WeakPolarHBondContact O-CA 3.39Å; G143-I202 PolarHBondContact O-N 3.42Å |
| 144 | V | 96.4 | Very high | 90 | Very high | 1 Ų | 1 | 50.5 Ų | 50.5 | 1% | 0.006 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 112.9 | 179.9 | -175.8 | 0 | 0 | 0 | 0 | 109.3 | V142 T146 L153 I156 V169 I170 Y172 | V142-V144 HydrophobicContact CG1-CG2 4.06Å; V144-T146 HydrophobicContact CG1-CG2 3.7Å; V144-L153 HydrophobicContact CG1-CD1 4.08Å; V144-I156 HydrophobicContact CG1-CD1 3.8Å; V144-I156 HydrophobicContact CG2-CG2 3.98Å; V144-V169 HydrophobicContact CG2-CG1 3.66Å; V144-I170 PolarHBondContact N-O 3.01Å; V144-Y172 PolarHBondContact O-N 3.49Å |
| 145 | I | 95.8 | Very high | 90.1 | Very high | 1 Ų | 1 | 48.4 Ų | 48.4 | 1% | 0.005 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 98.4 | 176.2 | -54.6 | -178.1 | 0 | 0 | 0 | 107.7 | Y172 T174 A188 I189 L201 I202 V203 G204 | I145-Y172 HydrophobicContact CG1-CD2 4.25Å; I145-Y172 HydrophobicContact CG1-CG 4.36Å; I145-T174 HydrophobicContact CG2-CG2 4.19Å; I145-A188 HydrophobicContact CD1-CB 4.03Å; I145-A188 HydrophobicContact CG1-CB 4.29Å; I145-A188 HydrophobicContact CG2-CB 3.71Å; I145-I189 HydrophobicContact CD1-CB 4.27Å; I145-I189 HydrophobicContact CD1-CG1 3.49Å; I145-I189 VanDerWaalsContact CD1-CG1 3.49Å; I145-L201 HydrophobicContact CD1-CD1 4.24Å; I145-I202 PolarHBondContact N-O 2.87Å; I145-V203 HydrophobicContact CB-CG2 4.12Å; I145-V203 HydrophobicContact CD1-CG2 3.97Å; I145-V203 HydrophobicContact CG1-CG2 4.36Å; I145-G204 PolarHBondContact O-N 3.09Å |
| 146 | T | 94.6 | Very high | 90.2 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.8 | 175.8 | -180 | -162.2 | 0 | 0 | 0 | 0 | 110.8 | V144 L153 Y172 P173 T174 G204 | V144-T146 HydrophobicContact CG1-CG2 3.7Å; T146-L153 HydrophobicContact CG2-CB 3.68Å; T146-L153 HydrophobicContact CG2-CD1 3.9Å; T146-L153 HydrophobicContact CG2-CG 4.25Å; T146-Y172 PolarHBondContact N-O 2.93Å; T146-P173 WeakPolarHBondContact O-CA 3.4Å; T146-T174 CarbonylContact C-O 3.52Å; T146-T174 PolarHBondContact O-N 3.31Å; T146-G204 WeakPolarHBondContact CB-O 3.28Å; T146-G204 PolarHBondContact OG1-O 2.95Å |
| 147 | S | 92.3 | Very high | 90.5 | Very high | 29 Ų | 29 | 47.3 Ų | 47.3 | 20% | 0.203 | 27% | 0.27 | C | S | . | . | trans | -66.7 | 141.1 | 177.1 | 61.4 | 0 | 0 | 0 | 0 | 112.2 | T149 G150 T174 | S147-T149 PolarHBondContact O-N 3.25Å; S147-T149 VanDerWaalsContact O-N 3.14Å; S147-G150 PolarHBondContact O-N 3.38Å; S147-G150 WeakPolarHBondContact OG-CA 3.43Å; S147-G150 PolarHBondContact OG-N 2.9Å; S147-T174 VanDerWaalsContact CA-O 3.25Å; S147-T174 WeakPolarHBondContact CA-O 3.26Å; S147-T174 PolarHBondContact N-O 3.49Å | ||
| 148 | K | 87.9 | Confident | 90.9 | Very high | 163 Ų | 163 | 47.7 Ų | 47.7 | 71% | 0.709 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | -28 | -177.4 | -171.8 | 176.7 | 177.5 | -178.6 | 0 | 113.8 | P173 | K148-P173 HydrophobicContact CB-CB 3.95Å; K148-P173 HydrophobicContact CG-CB 4.41Å |
| 149 | T | 83.1 | Confident | 91.5 | Very high | 125 Ų | 125 | 45.5 Ų | 45.5 | 77% | 0.767 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -121.7 | 12.3 | -174.9 | 55 | 0 | 0 | 0 | 0 | 113 | S147 | S147-T149 PolarHBondContact O-N 3.25Å; S147-T149 VanDerWaalsContact O-N 3.14Å |
| 150 | G | 80.7 | Confident | 91.7 | Very high | 14 Ų | 14 | 45.7 Ų | 45.7 | 14% | 0.144 | 25% | 0.245 | C | C | . | . | trans | -78.3 | 148.4 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | S147 A152 L153 H154 | S147-G150 PolarHBondContact O-N 3.38Å; S147-G150 WeakPolarHBondContact OG-CA 3.43Å; S147-G150 PolarHBondContact OG-N 2.9Å; G150-A152 PolarHBondContact O-N 3.44Å; G150-L153 WeakPolarHBondContact O-CB 3.35Å; G150-L153 PolarHBondContact O-N 2.91Å; G150-L153 VanDerWaalsContact O-N 3.08Å; G150-H154 PolarHBondContact O-N 3.41Å | ||
| 151 | A | 86.3 | Confident | 91.7 | Very high | 69 Ų | 69 | 47.2 Ų | 47.2 | 57% | 0.57 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -54.1 | -36.8 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | L153 H154 D155 | A151-L153 VanDerWaalsContact C-N 3.3Å; A151-L153 PolarHBondContact O-N 3.5Å; A151-H154 WeakPolarHBondContact O-CB 3.46Å; A151-H154 PolarHBondContact O-N 3.26Å; A151-H154 VanDerWaalsContact O-N 3.1Å; A151-D155 VanDerWaalsContact O-CG 3.32Å; A151-D155 PolarHBondContact O-N 2.93Å |
| 152 | A | 89.8 | Confident | 91.5 | Very high | 3 Ų | 3 | 52.9 Ų | 52.9 | 3% | 0.025 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -56.6 | -39.4 | 177 | 0 | 0 | 0 | 0 | 0 | 113.7 | G150 I156 P256 | G150-A152 PolarHBondContact O-N 3.44Å; A152-I156 WeakPolarHBondContact O-CB 3.47Å; A152-I156 WeakPolarHBondContact O-CD1 3.36Å; A152-I156 VanDerWaalsContact O-CG1 3.23Å; A152-I156 WeakPolarHBondContact O-CG1 3.46Å; A152-I156 PolarHBondContact O-N 3.46Å; A152-P256 HydrophobicContact CB-CB 3.97Å; A152-P256 HydrophobicContact CB-CG 3.69Å |
| 153 | L | 93 | Very high | 91.2 | Very high | 10 Ų | 10 | 55.4 Ų | 55.4 | 5% | 0.052 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -66.5 | -44.4 | 177 | -178.3 | 59.2 | 0 | 0 | 0 | 110.8 | V144 T146 G150 A151 D155 I156 L157 I171 | V144-L153 HydrophobicContact CG1-CD1 4.08Å; T146-L153 HydrophobicContact CG2-CB 3.68Å; T146-L153 HydrophobicContact CG2-CD1 3.9Å; T146-L153 HydrophobicContact CG2-CG 4.25Å; G150-L153 WeakPolarHBondContact O-CB 3.35Å; G150-L153 PolarHBondContact O-N 2.91Å; G150-L153 VanDerWaalsContact O-N 3.08Å; A151-L153 VanDerWaalsContact C-N 3.3Å; A151-L153 PolarHBondContact O-N 3.5Å; L153-D155 VanDerWaalsContact C-N 3.34Å; L153-D155 PolarHBondContact O-N 2.88Å; L153-I156 PolarHBondContact O-N 3.17Å; L153-L157 HydrophobicContact CD1-CD1 3.96Å; L153-L157 HydrophobicContact CD1-CG 4.05Å; L153-L157 HydrophobicContact CG-CD1 3.9Å; L153-L157 HydrophobicContact CG-CG 4.37Å; L153-L157 WeakPolarHBondContact O-CB 3.29Å; L153-L157 VanDerWaalsContact O-CG 3.24Å; L153-L157 WeakPolarHBondContact O-CG 3.46Å; L153-L157 PolarHBondContact O-N 2.88Å; L153-I171 HydrophobicContact CD1-CD1 4Å; L153-I171 HydrophobicContact CD1-CG1 4.03Å; L153-I171 HydrophobicContact CD1-CG2 4.17Å; L153-I171 HydrophobicContact CD2-CD1 4.23Å; L153-I171 HydrophobicContact CD2-CG2 4.21Å |
| 154 | H | 91.8 | Very high | 90.8 | Very high | 121 Ų | 121 | 55.6 Ų | 55.6 | 56% | 0.56 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -61.3 | -43.5 | 177.8 | -76.3 | -69.9 | 0 | 0 | 0 | 111.7 | G150 A151 L157 H158 | G150-H154 PolarHBondContact O-N 3.41Å; A151-H154 WeakPolarHBondContact O-CB 3.46Å; A151-H154 PolarHBondContact O-N 3.26Å; A151-H154 VanDerWaalsContact O-N 3.1Å; H154-L157 PolarHBondContact O-N 3.31Å; H154-H158 WeakPolarHBondContact O-CB 3.11Å; H154-H158 PolarHBondContact O-N 3.19Å |
| 155 | D | 92.2 | Very high | 90.4 | Very high | 74 Ų | 74 | 59.2 Ų | 59.2 | 40% | 0.396 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -62.3 | -48.5 | 177.9 | -70.2 | -16.6 | 0 | 0 | 0 | 111.5 | A151 L153 L157 H158 V159 | A151-D155 VanDerWaalsContact O-CG 3.32Å; A151-D155 PolarHBondContact O-N 2.93Å; L153-D155 VanDerWaalsContact C-N 3.34Å; L153-D155 PolarHBondContact O-N 2.88Å; D155-L157 PolarHBondContact O-N 2.9Å; D155-H158 PolarHBondContact O-N 2.91Å; D155-V159 WeakPolarHBondContact O-CG2 3.41Å; D155-V159 PolarHBondContact O-N 2.88Å |
| 156 | I | 92.7 | Very high | 90.1 | Very high | 1 Ų | 1 | 62.6 Ų | 62.6 | 1% | 0.005 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -57.7 | -52.7 | 176.1 | -70.9 | 165.3 | 0 | 0 | 0 | 110.1 | V144 A152 L153 H158 V159 L160 I202 P256 A260 | V144-I156 HydrophobicContact CG1-CD1 3.8Å; V144-I156 HydrophobicContact CG2-CG2 3.98Å; A152-I156 WeakPolarHBondContact O-CB 3.47Å; A152-I156 WeakPolarHBondContact O-CD1 3.36Å; A152-I156 VanDerWaalsContact O-CG1 3.23Å; A152-I156 WeakPolarHBondContact O-CG1 3.46Å; A152-I156 PolarHBondContact O-N 3.46Å; L153-I156 PolarHBondContact O-N 3.17Å; I156-H158 VanDerWaalsContact C-N 3.32Å; I156-H158 PolarHBondContact O-N 2.94Å; I156-V159 PolarHBondContact O-N 3.27Å; I156-L160 HydrophobicContact CG2-CD1 3.79Å; I156-L160 HydrophobicContact CG2-CG 4.26Å; I156-L160 WeakPolarHBondContact O-CB 3.42Å; I156-L160 VanDerWaalsContact O-CG 3.29Å; I156-L160 WeakPolarHBondContact O-CG 3.47Å; I156-L160 PolarHBondContact O-N 2.8Å; I156-I202 HydrophobicContact CD1-CG2 3.88Å; I156-I202 HydrophobicContact CG2-CD1 4.38Å; I156-P256 HydrophobicContact CD1-CB 3.95Å; I156-P256 HydrophobicContact CG1-CB 3.79Å; I156-P256 WeakPolarHBondContact CG1-O 3.36Å; I156-A260 HydrophobicContact CB-CB 4.39Å; I156-A260 HydrophobicContact CG1-CB 4.46Å; I156-A260 HydrophobicContact CG2-CB 4.15Å |
| 157 | L | 93.4 | Very high | 90 | Very high | 61 Ų | 61 | 63.2 Ų | 63.2 | 32% | 0.319 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -63.4 | -37.3 | -178 | -69.6 | 176.3 | 0 | 0 | 0 | 112.4 | L153 H154 D155 K161 V169 I171 | L153-L157 HydrophobicContact CD1-CD1 3.96Å; L153-L157 HydrophobicContact CD1-CG 4.05Å; L153-L157 HydrophobicContact CG-CD1 3.9Å; L153-L157 HydrophobicContact CG-CG 4.37Å; L153-L157 WeakPolarHBondContact O-CB 3.29Å; L153-L157 VanDerWaalsContact O-CG 3.24Å; L153-L157 WeakPolarHBondContact O-CG 3.46Å; L153-L157 PolarHBondContact O-N 2.88Å; H154-L157 PolarHBondContact O-N 3.31Å; D155-L157 PolarHBondContact O-N 2.9Å; L157-K161 WeakPolarHBondContact O-CB 3.47Å; L157-K161 PolarHBondContact O-N 3.48Å; L157-V169 HydrophobicContact CD2-CB 4.34Å; L157-V169 HydrophobicContact CD2-CG1 3.97Å; L157-V169 HydrophobicContact CD2-CG2 4.47Å; L157-I171 HydrophobicContact CD1-CD1 4.34Å |
| 158 | H | 92.9 | Very high | 90.1 | Very high | 131 Ų | 131 | 65.2 Ų | 65.2 | 61% | 0.606 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -65.8 | -44.7 | 177.7 | -175 | -89 | 0 | 0 | 0 | 111.4 | H154 D155 I156 R162 | H154-H158 WeakPolarHBondContact O-CB 3.11Å; H154-H158 PolarHBondContact O-N 3.19Å; D155-H158 PolarHBondContact O-N 2.91Å; I156-H158 VanDerWaalsContact C-N 3.32Å; I156-H158 PolarHBondContact O-N 2.94Å; H158-R162 WeakPolarHBondContact O-CB 3.42Å; H158-R162 PolarHBondContact O-N 3.36Å |
| 159 | V | 92.8 | Very high | 90.4 | Very high | 7 Ų | 7 | 59.5 Ų | 59.5 | 4% | 0.042 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -65 | -46.3 | 176.8 | 172.1 | 0 | 0 | 0 | 0 | 111.2 | D155 I156 R162 R163 A260 E261 | D155-V159 WeakPolarHBondContact O-CG2 3.41Å; D155-V159 PolarHBondContact O-N 2.88Å; I156-V159 PolarHBondContact O-N 3.27Å; V159-R162 PolarHBondContact O-N 3.18Å; V159-R163 HydrophobicContact CG1-CG 4.39Å; V159-R163 WeakPolarHBondContact O-CB 3.31Å; V159-R163 PolarHBondContact O-N 2.88Å; V159-A260 HydrophobicContact CB-CB 3.74Å; V159-A260 HydrophobicContact CG1-CB 3.59Å; V159-E261 HydrophobicContact CG1-CG 3.61Å |
| 160 | L | 92.5 | Very high | 91 | Very high | 4 Ų | 4 | 55.2 Ų | 55.2 | 2% | 0.021 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -61.9 | -46.7 | 177.7 | -68.4 | -177.7 | 0 | 0 | 0 | 111.3 | I156 R162 R163 D164 L167 V169 A260 V263 | I156-L160 HydrophobicContact CG2-CD1 3.79Å; I156-L160 HydrophobicContact CG2-CG 4.26Å; I156-L160 WeakPolarHBondContact O-CB 3.42Å; I156-L160 VanDerWaalsContact O-CG 3.29Å; I156-L160 WeakPolarHBondContact O-CG 3.47Å; I156-L160 PolarHBondContact O-N 2.8Å; L160-R162 PolarHBondContact O-N 3.4Å; L160-R163 PolarHBondContact O-N 2.99Å; L160-D164 CarbonylContact O-C 3.57Å; L160-D164 WeakPolarHBondContact O-CA 3.32Å; L160-D164 PolarHBondContact O-N 2.91Å; L160-L167 HydrophobicContact CD2-CD2 3.99Å; L160-V169 HydrophobicContact CD1-CG1 4.48Å; L160-V169 HydrophobicContact CD1-CG2 3.53Å; L160-A260 HydrophobicContact CD2-CB 3.94Å; L160-A260 WeakPolarHBondContact CD2-O 3.45Å; L160-A260 HydrophobicContact CG-CB 3.96Å; L160-V263 HydrophobicContact CD2-CG2 4.08Å |
| 161 | K | 91.5 | Very high | 91.6 | Very high | 162 Ų | 162 | 57.8 Ų | 57.8 | 70% | 0.704 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -59.7 | -34.4 | 176.6 | -174.6 | 176.9 | -178.8 | 179.9 | 0 | 112.8 | L157 P165 | L157-K161 WeakPolarHBondContact O-CB 3.47Å; L157-K161 PolarHBondContact O-N 3.48Å; K161-P165 VanDerWaalsContact O-CG 3.27Å; K161-P165 WeakPolarHBondContact O-CG 3.44Å |
| 162 | R | 89.6 | Confident | 92 | Very high | 135 Ų | 135 | 54.9 Ų | 54.9 | 51% | 0.509 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -76.5 | -41.7 | 178.7 | -175.2 | -173.9 | 68.1 | 173.2 | 0.9 | 112.6 | H158 V159 L160 E261 | H158-R162 WeakPolarHBondContact O-CB 3.42Å; H158-R162 PolarHBondContact O-N 3.36Å; V159-R162 PolarHBondContact O-N 3.18Å; L160-R162 PolarHBondContact O-N 3.4Å; R162-E261 IonicContact NH2-OE1 2.99Å; R162-E261 PolarHBondContact NH2-OE1 2.96Å |
| 163 | R | 90.1 | Very high | 92.2 | Very high | 53 Ų | 53 | 58.6 Ų | 58.6 | 20% | 0.2 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -93.3 | -42.4 | -171.3 | -68 | -177.4 | 69.2 | 113.9 | 0.5 | 113.4 | V159 L160 E261 S264 R265 Q267 | V159-R163 HydrophobicContact CG1-CG 4.39Å; V159-R163 WeakPolarHBondContact O-CB 3.31Å; V159-R163 PolarHBondContact O-N 2.88Å; L160-R163 PolarHBondContact O-N 2.99Å; R163-E261 IonicContact CZ-OE1 2.72Å; R163-E261 IonicContact NH1-OE1 2.9Å; R163-E261 PolarHBondContact NH1-OE1 3.21Å; R163-E261 IonicContact NH1-OE2 3.28Å; R163-E261 PolarHBondContact NH1-OE2 2.98Å; R163-S264 PolarHBondContact NE-OG 2.82Å; R163-R265 CarbonylContact C-O 3.6Å; R163-R265 VanDerWaalsContact C-O 3.32Å; R163-Q267 WeakPolarHBondContact O-CB 3.33Å; R163-Q267 PolarHBondContact O-N 3.31Å |
| 164 | D | 88.2 | Confident | 92.2 | Very high | 3 Ų | 3 | 58.5 Ų | 58.5 | 2% | 0.016 | 30% | 0.301 | C | S | . | . | trans | -143.4 | 74.1 | -179.6 | -168.9 | -2.3 | 0 | 0 | 0 | 111.5 | L160 S166 L167 R265 | L160-D164 CarbonylContact O-C 3.57Å; L160-D164 WeakPolarHBondContact O-CA 3.32Å; L160-D164 PolarHBondContact O-N 2.91Å; D164-S166 PolarHBondContact O-N 3.35Å; D164-S166 PolarHBondContact OD1-N 2.94Å; D164-S166 PolarHBondContact OD1-OG 3.44Å; D164-L167 HydrophobicContact CB-CB 4.17Å; D164-L167 WeakPolarHBondContact O-CB 3.31Å; D164-L167 PolarHBondContact O-N 2.88Å; D164-L167 VanDerWaalsContact O-N 3.1Å; D164-L167 PolarHBondContact OD1-N 3.5Å; D164-R265 HydrophobicContact CB-CB 4.21Å; D164-R265 IonicContact OD1-CZ 3.21Å; D164-R265 IonicContact OD1-NE 2.98Å; D164-R265 IonicContact OD1-NH2 3.49Å; D164-R265 PolarHBondContact OD1-NH2 3.46Å; D164-R265 VanDerWaalsContact OD1-NH2 3.12Å; D164-R265 WeakPolarHBondContact OD2-CB 3.16Å; D164-R265 IonicContact OD2-CZ 3.87Å; D164-R265 PolarHBondContact OD2-N 2.9Å; D164-R265 IonicContact OD2-NE 3.08Å; D164-R265 PolarHBondContact OD2-NE 3.33Å; D164-R265 IonicContact OD2-NH2 3.75Å; D164-R265 PolarHBondContact OD2-NH2 2.7Å | ||
| 165 | P | 87.9 | Confident | 92.3 | Very high | 77 Ų | 77 | 54.3 Ų | 54.3 | 50% | 0.5 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61 | -14.6 | 178.1 | 1.1 | 3 | 0 | 0 | 0 | 114 | K161 | K161-P165 VanDerWaalsContact O-CG 3.27Å; K161-P165 WeakPolarHBondContact O-CG 3.44Å |
| 166 | S | 88.9 | Confident | 92.2 | Very high | 73 Ų | 73 | 51.2 Ų | 51.2 | 51% | 0.51 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.4 | -7 | 179.4 | 71.2 | 0 | 0 | 0 | 0 | 113.8 | D164 P168 R265 | D164-S166 PolarHBondContact O-N 3.35Å; D164-S166 PolarHBondContact OD1-N 2.94Å; D164-S166 PolarHBondContact OD1-OG 3.44Å; S166-P168 VanDerWaalsContact O-CD 3.26Å; S166-P168 WeakPolarHBondContact O-CD 3.36Å; S166-R265 PolarHBondContact OG-NH2 3.28Å |
| 167 | L | 91.5 | Very high | 92 | Very high | 12 Ų | 12 | 56 Ų | 56 | 6% | 0.063 | 29% | 0.293 | C | S | . | . | S | Bend | trans | -78 | 115.5 | -179.1 | -170.3 | 58 | 0 | 0 | 0 | 110.5 | A139 V142 L160 D164 | A139-L167 HydrophobicContact CB-CD1 4.38Å; A139-L167 WeakPolarHBondContact O-CD1 3.28Å; V142-L167 HydrophobicContact CG2-CD1 4.28Å; V142-L167 HydrophobicContact CG2-CD2 3.45Å; V142-L167 VanDerWaalsContact CG2-CD2 3.45Å; V142-L167 HydrophobicContact CG2-CG 3.96Å; L160-L167 HydrophobicContact CD2-CD2 3.99Å; D164-L167 HydrophobicContact CB-CB 4.17Å; D164-L167 WeakPolarHBondContact O-CB 3.31Å; D164-L167 PolarHBondContact O-N 2.88Å; D164-L167 VanDerWaalsContact O-N 3.1Å; D164-L167 PolarHBondContact OD1-N 3.5Å |
| 168 | P | 94.3 | Very high | 91.7 | Very high | 71 Ų | 71 | 55.2 Ų | 55.2 | 46% | 0.461 | 30% | 0.3 | S | S | . | . | trans | -58.9 | 135.5 | 168.6 | -19.6 | 32.9 | 0 | 0 | 0 | 111 | H140 C141 V142 S166 | H140-P168 WeakPolarHBondContact O-CD 3.25Å; C141-P168 WeakPolarHBondContact CA-O 3.44Å; C141-P168 HydrophobicContact CB-CB 4.33Å; V142-P168 PolarHBondContact N-O 3.27Å; S166-P168 VanDerWaalsContact O-CD 3.26Å; S166-P168 WeakPolarHBondContact O-CD 3.36Å | ||
| 169 | V | 94.9 | Very high | 91.4 | Very high | 43 Ų | 43 | 56.6 Ų | 56.6 | 26% | 0.261 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 122.4 | 177.7 | -174.7 | 0 | 0 | 0 | 0 | 109 | V142 V144 L157 L160 I171 | V142-V169 CarbonylContact O-C 3.58Å; V142-V169 WeakPolarHBondContact O-CA 3.35Å; V144-V169 HydrophobicContact CG2-CG1 3.66Å; L157-V169 HydrophobicContact CD2-CB 4.34Å; L157-V169 HydrophobicContact CD2-CG1 3.97Å; L157-V169 HydrophobicContact CD2-CG2 4.47Å; L160-V169 HydrophobicContact CD1-CG1 4.48Å; L160-V169 HydrophobicContact CD1-CG2 3.53Å; V169-I171 HydrophobicContact CG1-CG1 4.42Å |
| 170 | I | 95 | Very high | 91.2 | Very high | 35 Ų | 35 | 62.3 Ų | 62.3 | 18% | 0.179 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 120.9 | 174.5 | -63.2 | 169.6 | 0 | 0 | 0 | 108.2 | V142 G143 V144 Y172 E197 | V142-I170 PolarHBondContact O-N 2.99Å; G143-I170 CarbonylContact C-O 3.01Å; G143-I170 VanDerWaalsContact CA-O 3.3Å; G143-I170 WeakPolarHBondContact CA-O 3.26Å; V144-I170 PolarHBondContact N-O 3.01Å; I170-Y172 HydrophobicContact CB-CE2 4.16Å; I170-Y172 HydrophobicContact CG2-CD2 4.22Å; I170-Y172 HydrophobicContact CG2-CE1 4.33Å; I170-Y172 HydrophobicContact CG2-CE2 3.6Å; I170-E197 HydrophobicContact CD1-CB 3.53Å; I170-E197 HydrophobicContact CD1-CG 4.43Å; I170-E197 WeakPolarHBondContact CD1-OE2 3.5Å |
| 171 | I | 94.8 | Very high | 91.2 | Very high | 69 Ų | 69 | 62.1 Ų | 62.1 | 35% | 0.354 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 124.1 | -179.1 | -56.3 | 164.8 | 0 | 0 | 0 | 108.3 | L153 L157 V169 P173 | L153-I171 HydrophobicContact CD1-CD1 4Å; L153-I171 HydrophobicContact CD1-CG1 4.03Å; L153-I171 HydrophobicContact CD1-CG2 4.17Å; L153-I171 HydrophobicContact CD2-CD1 4.23Å; L153-I171 HydrophobicContact CD2-CG2 4.21Å; L157-I171 HydrophobicContact CD1-CD1 4.34Å; V169-I171 HydrophobicContact CG1-CG1 4.42Å; I171-P173 WeakPolarHBondContact O-CD 3.41Å |
| 172 | Y | 95.2 | Very high | 91.3 | Very high | 8 Ų | 8 | 54.7 Ų | 54.7 | 3% | 0.031 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 92.1 | 170.5 | -63.5 | -86.7 | 0 | 0 | 0 | 107.6 | V144 I145 T146 I170 T174 L191 A192 L201 | V144-Y172 PolarHBondContact O-N 3.49Å; I145-Y172 HydrophobicContact CG1-CD2 4.25Å; I145-Y172 HydrophobicContact CG1-CG 4.36Å; T146-Y172 PolarHBondContact N-O 2.93Å; I170-Y172 HydrophobicContact CB-CE2 4.16Å; I170-Y172 HydrophobicContact CG2-CD2 4.22Å; I170-Y172 HydrophobicContact CG2-CE1 4.33Å; I170-Y172 HydrophobicContact CG2-CE2 3.6Å; Y172-T174 PolarHBondContact O-N 3.23Å; Y172-T174 PolarHBondContact O-OG1 2.96Å; Y172-L191 HydrophobicContact CD1-CD2 4.22Å; Y172-L191 HydrophobicContact CE1-CD2 4.36Å; Y172-L191 HydrophobicContact CE1-CG 4.28Å; Y172-A192 HydrophobicContact CD1-CB 4.47Å; Y172-A192 HydrophobicContact CD2-CB 4.38Å; Y172-A192 HydrophobicContact CE1-CB 3.9Å; Y172-A192 HydrophobicContact CE2-CB 3.8Å; Y172-L201 HydrophobicContact CE2-CD2 4.44Å |
| 173 | P | 93.6 | Very high | 91.5 | Very high | 80 Ų | 80 | 49.4 Ų | 49.4 | 52% | 0.519 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 118.1 | -174.8 | 27.7 | -34.2 | 0 | 0 | 0 | 110.4 | T146 K148 I171 | T146-P173 WeakPolarHBondContact O-CA 3.4Å; K148-P173 HydrophobicContact CB-CB 3.95Å; K148-P173 HydrophobicContact CG-CB 4.41Å; I171-P173 WeakPolarHBondContact O-CD 3.41Å |
| 174 | T | 93 | Very high | 91.8 | Very high | 9 Ų | 9 | 50.5 Ų | 50.5 | 6% | 0.055 | 30% | 0.304 | C | S | . | . | trans | -138.6 | 140 | -171.6 | -69.8 | 0 | 0 | 0 | 0 | 110.4 | I145 T146 S147 Y172 V176 Q184 I185 A188 | I145-T174 HydrophobicContact CG2-CG2 4.19Å; T146-T174 CarbonylContact C-O 3.52Å; T146-T174 PolarHBondContact O-N 3.31Å; S147-T174 VanDerWaalsContact CA-O 3.25Å; S147-T174 WeakPolarHBondContact CA-O 3.26Å; S147-T174 PolarHBondContact N-O 3.49Å; Y172-T174 PolarHBondContact O-N 3.23Å; Y172-T174 PolarHBondContact O-OG1 2.96Å; T174-V176 PolarHBondContact O-N 3.05Å; T174-Q184 HydrophobicContact CG2-CB 3.74Å; T174-I185 HydrophobicContact CG2-CB 4.25Å; T174-I185 HydrophobicContact CG2-CG1 3.54Å; T174-A188 VanDerWaalsContact OG1-CB 3.23Å; T174-A188 WeakPolarHBondContact OG1-CB 3.42Å | ||
| 175 | A | 92.7 | Very high | 92.2 | Very high | 33 Ų | 33 | 50.4 Ų | 50.4 | 27% | 0.273 | 30% | 0.303 | S | S | . | . | trans | -63 | 123.5 | 167.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | A181 | A175-A181 HydrophobicContact CB-CB 4.22Å; A175-A181 WeakPolarHBondContact O-CA 3.46Å; A175-A181 WeakPolarHBondContact O-CB 3.37Å | ||
| 176 | V | 89.8 | Confident | 92.6 | Very high | 8 Ų | 8 | 47.8 Ų | 47.8 | 5% | 0.048 | 29% | 0.286 | C | S | . | . | trans | -104.4 | 5.6 | -179.6 | -64 | 0 | 0 | 0 | 0 | 112.8 | T174 R205 F216 | T174-V176 PolarHBondContact O-N 3.05Å; V176-R205 HydrophobicContact CB-CB 4.12Å; V176-R205 HydrophobicContact CB-CG 4.15Å; V176-R205 HydrophobicContact CG2-CB 4.16Å; V176-R205 HydrophobicContact CG2-CG 3.7Å; V176-F216 HydrophobicContact CB-CE2 4.31Å; V176-F216 HydrophobicContact CB-CZ 4.06Å; V176-F216 HydrophobicContact CG1-CZ 4.24Å | ||
| 177 | Q | 89.4 | Confident | 92.9 | Very high | 103 Ų | 103 | 53 Ų | 53 | 48% | 0.481 | 30% | 0.295 | S | S | . | . | S | Bend | trans | -150.5 | 152.3 | -178.9 | 79 | -173.4 | 13.6 | 0 | 0 | 110.6 | R205 D212 | Q177-R205 VanDerWaalsContact OE1-CZ 3.24Å; Q177-D212 PolarHBondContact OE1-OD1 2.9Å |
| 178 | G | 87.3 | Confident | 93.1 | Very high | 44 Ų | 44 | 52.8 Ų | 52.8 | 45% | 0.454 | 29% | 0.294 | S | S | . | . | S | Bend | trans | 89.8 | 173.2 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | D180 A181 S215 | G178-D180 VanDerWaalsContact C-N 3.3Å; G178-D180 PolarHBondContact O-N 2.94Å; G178-A181 VanDerWaalsContact O-CB 3.31Å; G178-A181 WeakPolarHBondContact O-CB 3.36Å; G178-A181 PolarHBondContact O-N 3.42Å; G178-A181 VanDerWaalsContact O-N 3.17Å; G178-S215 PolarHBondContact O-OG 3.5Å |
| 179 | D | 85.7 | Confident | 93.2 | Very high | 160 Ų | 160 | 49.5 Ų | 49.5 | 86% | 0.856 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.7 | -29.2 | -170.3 | -63.9 | -32.2 | 0 | 0 | 0 | 113.7 | P182 | D179-P182 WeakPolarHBondContact O-CD 3.15Š|
| 180 | D | 89.9 | Confident | 93.3 | Very high | 127 Ų | 127 | 52.1 Ų | 52.1 | 68% | 0.679 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.3 | -15.3 | 178.2 | -72.5 | -35 | 0 | 0 | 0 | 113.5 | G178 G183 Q184 | G178-D180 VanDerWaalsContact C-N 3.3Å; G178-D180 PolarHBondContact O-N 2.94Å; D180-G183 PolarHBondContact O-N 2.95Å; D180-Q184 PolarHBondContact O-N 2.84Å |
| 181 | A | 92.4 | Very high | 93.4 | Very high | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -60.1 | -46.1 | -173.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | A175 G178 G183 Q184 I185 S215 | A175-A181 HydrophobicContact CB-CB 4.22Å; A175-A181 WeakPolarHBondContact O-CA 3.46Å; A175-A181 WeakPolarHBondContact O-CB 3.37Å; G178-A181 VanDerWaalsContact O-CB 3.31Å; G178-A181 WeakPolarHBondContact O-CB 3.36Å; G178-A181 PolarHBondContact O-N 3.42Å; G178-A181 VanDerWaalsContact O-N 3.17Å; A181-G183 VanDerWaalsContact C-N 3.29Å; A181-G183 PolarHBondContact O-N 3.39Å; A181-Q184 PolarHBondContact O-N 2.97Å; A181-Q184 VanDerWaalsContact O-N 3.1Å; A181-I185 VanDerWaalsContact O-CG1 3.29Å; A181-I185 WeakPolarHBondContact O-CG1 3.32Å; A181-I185 PolarHBondContact O-N 3.49Å; A181-S215 WeakPolarHBondContact CB-OG 3.49Å |
| 182 | P | 93.2 | Very high | 93.4 | Very high | 6 Ų | 6 | 50.8 Ų | 50.8 | 4% | 0.039 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -54.8 | -43.5 | 177.8 | -27.8 | 36.1 | 0 | 0 | 0 | 113.4 | D179 Q184 I185 V186 D218 V221 | D179-P182 WeakPolarHBondContact O-CD 3.15Å; P182-Q184 VanDerWaalsContact C-N 3.35Å; P182-Q184 PolarHBondContact O-N 3.49Å; P182-I185 PolarHBondContact O-N 3.03Å; P182-V186 VanDerWaalsContact O-CG2 3.27Å; P182-V186 WeakPolarHBondContact O-CG2 3.46Å; P182-V186 PolarHBondContact O-N 3.47Å; P182-D218 HydrophobicContact CB-CB 3.72Å; P182-D218 WeakPolarHBondContact CB-OD2 3.47Å; P182-D218 HydrophobicContact CG-CB 3.82Å; P182-V221 HydrophobicContact CB-CG2 3.86Å |
| 183 | G | 94.8 | Very high | 93.4 | Very high | 24 Ų | 24 | 51.6 Ų | 51.6 | 25% | 0.247 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -65.8 | -37.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | D180 A181 R187 | D180-G183 PolarHBondContact O-N 2.95Å; A181-G183 VanDerWaalsContact C-N 3.29Å; A181-G183 PolarHBondContact O-N 3.39Å; G183-R187 VanDerWaalsContact O-CG 3.32Å; G183-R187 WeakPolarHBondContact O-CG 3.45Å; G183-R187 PolarHBondContact O-N 3.48Å; G183-R187 VanDerWaalsContact O-N 3.16Å |
| 184 | Q | 95.6 | Very high | 93.5 | Very high | 75 Ų | 75 | 54.9 Ų | 54.9 | 35% | 0.35 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -72.2 | -37.6 | 176.2 | -63.8 | -174.4 | 24.4 | 0 | 0 | 112.4 | T174 D180 A181 P182 R187 A188 | T174-Q184 HydrophobicContact CG2-CB 3.74Å; D180-Q184 PolarHBondContact O-N 2.84Å; A181-Q184 PolarHBondContact O-N 2.97Å; A181-Q184 VanDerWaalsContact O-N 3.1Å; P182-Q184 VanDerWaalsContact C-N 3.35Å; P182-Q184 PolarHBondContact O-N 3.49Å; Q184-R187 PolarHBondContact O-N 2.91Å; Q184-A188 WeakPolarHBondContact O-CB 3.47Å; Q184-A188 PolarHBondContact O-N 3.38Å |
| 185 | I | 95.6 | Very high | 93.6 | Very high | 1 Ų | 1 | 60.1 Ų | 60.1 | 1% | 0.005 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -61.1 | -47.3 | 175.1 | -65.9 | 165.2 | 0 | 0 | 0 | 110.4 | T174 A181 P182 R187 A188 I189 V203 F216 V221 | T174-I185 HydrophobicContact CG2-CB 4.25Å; T174-I185 HydrophobicContact CG2-CG1 3.54Å; A181-I185 VanDerWaalsContact O-CG1 3.29Å; A181-I185 WeakPolarHBondContact O-CG1 3.32Å; A181-I185 PolarHBondContact O-N 3.49Å; P182-I185 PolarHBondContact O-N 3.03Å; I185-R187 PolarHBondContact O-N 2.99Å; I185-A188 PolarHBondContact O-N 3.43Å; I185-I189 HydrophobicContact CG2-CD1 3.94Å; I185-I189 WeakPolarHBondContact O-CG1 3.41Å; I185-I189 PolarHBondContact O-N 2.92Å; I185-V203 HydrophobicContact CG2-CG1 4.3Å; I185-F216 HydrophobicContact CD1-CD1 4.38Å; I185-F216 HydrophobicContact CD1-CE1 4.01Å; I185-F216 HydrophobicContact CD1-CZ 4.23Å; I185-V221 HydrophobicContact CB-CG2 4.08Å; I185-V221 HydrophobicContact CD1-CG2 4.44Å; I185-V221 HydrophobicContact CG2-CG1 3.8Å; I185-V221 HydrophobicContact CG2-CG2 4.07Å |
| 186 | V | 96.7 | Very high | 93.6 | Very high | 23 Ų | 23 | 64.2 Ų | 64.2 | 14% | 0.139 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -57.8 | -50.8 | 176.5 | 172.2 | 0 | 0 | 0 | 0 | 110.9 | P182 A188 I189 E190 R220 V221 A224 | P182-V186 VanDerWaalsContact O-CG2 3.27Å; P182-V186 WeakPolarHBondContact O-CG2 3.46Å; P182-V186 PolarHBondContact O-N 3.47Å; V186-A188 VanDerWaalsContact C-N 3.27Å; V186-A188 PolarHBondContact O-N 2.94Å; V186-I189 PolarHBondContact O-N 3.3Å; V186-E190 HydrophobicContact CG1-CG 4.41Å; V186-E190 WeakPolarHBondContact O-CG 3.27Å; V186-E190 PolarHBondContact O-N 3.08Å; V186-R220 HydrophobicContact CG2-CB 3.98Å; V186-R220 WeakPolarHBondContact CG2-O 3.25Å; V186-V221 HydrophobicContact CG2-CG2 4.19Å; V186-A224 HydrophobicContact CB-CB 4.24Å; V186-A224 HydrophobicContact CG1-CB 4.03Å; V186-A224 HydrophobicContact CG2-CB 3.85Å |
| 187 | R | 96.2 | Very high | 93.8 | Very high | 183 Ų | 183 | 68 Ų | 68 | 69% | 0.691 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -59.9 | -36.9 | 178.3 | -73 | 175.4 | -173.3 | 171.6 | 4.2 | 112.7 | G183 Q184 I185 L191 | G183-R187 VanDerWaalsContact O-CG 3.32Å; G183-R187 WeakPolarHBondContact O-CG 3.45Å; G183-R187 PolarHBondContact O-N 3.48Å; G183-R187 VanDerWaalsContact O-N 3.16Å; Q184-R187 PolarHBondContact O-N 2.91Å; I185-R187 PolarHBondContact O-N 2.99Å; R187-L191 WeakPolarHBondContact O-CB 3.36Å; R187-L191 PolarHBondContact O-N 2.84Å |
| 188 | A | 96.2 | Very high | 94 | Very high | 7 Ų | 7 | 63.3 Ų | 63.3 | 6% | 0.058 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -68.8 | -40.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | I145 T174 Q184 I185 V186 L191 A192 | I145-A188 HydrophobicContact CD1-CB 4.03Å; I145-A188 HydrophobicContact CG1-CB 4.29Å; I145-A188 HydrophobicContact CG2-CB 3.71Å; T174-A188 VanDerWaalsContact OG1-CB 3.23Å; T174-A188 WeakPolarHBondContact OG1-CB 3.42Å; Q184-A188 WeakPolarHBondContact O-CB 3.47Å; Q184-A188 PolarHBondContact O-N 3.38Å; I185-A188 PolarHBondContact O-N 3.43Å; V186-A188 VanDerWaalsContact C-N 3.27Å; V186-A188 PolarHBondContact O-N 2.94Å; A188-L191 PolarHBondContact O-N 3.35Å; A188-A192 WeakPolarHBondContact O-CB 3.39Å; A188-A192 PolarHBondContact O-N 3.01Å |
| 189 | I | 96.2 | Very high | 94.3 | Very high | 2 Ų | 2 | 63 Ų | 63 | 1% | 0.01 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -63.4 | -46.6 | 174.1 | -66.6 | 168 | 0 | 0 | 0 | 109.9 | I145 I185 V186 A192 N193 V203 A224 I225 | I145-I189 HydrophobicContact CD1-CB 4.27Å; I145-I189 HydrophobicContact CD1-CG1 3.49Å; I145-I189 VanDerWaalsContact CD1-CG1 3.49Å; I185-I189 HydrophobicContact CG2-CD1 3.94Å; I185-I189 WeakPolarHBondContact O-CG1 3.41Å; I185-I189 PolarHBondContact O-N 2.92Å; V186-I189 PolarHBondContact O-N 3.3Å; I189-A192 PolarHBondContact O-N 3.21Å; I189-N193 WeakPolarHBondContact CG2-ND2 3.45Å; I189-N193 WeakPolarHBondContact O-CB 3.47Å; I189-N193 PolarHBondContact O-N 2.86Å; I189-N193 PolarHBondContact O-ND2 3.08Å; I189-V203 HydrophobicContact CD1-CG2 4.4Å; I189-V203 HydrophobicContact CG1-CG2 4.38Å; I189-A224 HydrophobicContact CD1-CB 4.17Å; I189-I225 HydrophobicContact CD1-CG1 3.72Å |
| 190 | E | 96.3 | Very high | 94.8 | Very high | 97 Ų | 97 | 55.4 Ų | 55.4 | 45% | 0.453 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -61 | -46.3 | 177.5 | -71.9 | 173.4 | 167.6 | 0 | 0 | 111.7 | V186 A192 N193 Q194 | V186-E190 HydrophobicContact CG1-CG 4.41Å; V186-E190 WeakPolarHBondContact O-CG 3.27Å; V186-E190 PolarHBondContact O-N 3.08Å; E190-A192 PolarHBondContact O-N 2.96Å; E190-N193 PolarHBondContact O-N 3.06Å; E190-Q194 WeakPolarHBondContact O-CB 3.33Å; E190-Q194 VanDerWaalsContact O-CG 3.27Å; E190-Q194 WeakPolarHBondContact O-CG 3.25Å; E190-Q194 PolarHBondContact O-N 3.43Å |
| 191 | L | 96.1 | Very high | 95.2 | Very high | 77 Ų | 77 | 49.4 Ų | 49.4 | 40% | 0.403 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -61 | -43.3 | 177.6 | -179.6 | 63.5 | 0 | 0 | 0 | 111.6 | Y172 R187 A188 N193 Q194 R195 | Y172-L191 HydrophobicContact CD1-CD2 4.22Å; Y172-L191 HydrophobicContact CE1-CD2 4.36Å; Y172-L191 HydrophobicContact CE1-CG 4.28Å; R187-L191 WeakPolarHBondContact O-CB 3.36Å; R187-L191 PolarHBondContact O-N 2.84Å; A188-L191 PolarHBondContact O-N 3.35Å; L191-N193 VanDerWaalsContact C-N 3.34Å; L191-N193 PolarHBondContact O-N 3.31Å; L191-Q194 PolarHBondContact O-N 3.3Å; L191-R195 HydrophobicContact CD1-CG 4.23Å; L191-R195 WeakPolarHBondContact O-CB 3.33Å; L191-R195 WeakPolarHBondContact O-CG 3.25Å; L191-R195 PolarHBondContact O-N 3.1Å |
| 192 | A | 96.1 | Very high | 95.3 | Very high | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -62.9 | -42 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y172 A188 I189 E190 R195 N196 L201 I230 | Y172-A192 HydrophobicContact CD1-CB 4.47Å; Y172-A192 HydrophobicContact CD2-CB 4.38Å; Y172-A192 HydrophobicContact CE1-CB 3.9Å; Y172-A192 HydrophobicContact CE2-CB 3.8Å; A188-A192 WeakPolarHBondContact O-CB 3.39Å; A188-A192 PolarHBondContact O-N 3.01Å; I189-A192 PolarHBondContact O-N 3.21Å; E190-A192 PolarHBondContact O-N 2.96Å; A192-R195 PolarHBondContact O-N 3.14Å; A192-N196 PolarHBondContact O-N 2.94Å; A192-L201 HydrophobicContact CB-CD1 3.92Å; A192-L201 HydrophobicContact CB-CD2 3.84Å; A192-I230 WeakPolarHBondContact O-CD1 3.48Å |
| 193 | N | 95.6 | Very high | 95.5 | Very high | 24 Ų | 24 | 49.1 Ų | 49.1 | 13% | 0.128 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -65.6 | -36.4 | 174.9 | -80.8 | -72.1 | 0 | 0 | 0 | 113 | I189 E190 L191 S228 R229 I230 | I189-N193 WeakPolarHBondContact CG2-ND2 3.45Å; I189-N193 WeakPolarHBondContact O-CB 3.47Å; I189-N193 PolarHBondContact O-N 2.86Å; I189-N193 PolarHBondContact O-ND2 3.08Å; E190-N193 PolarHBondContact O-N 3.06Å; L191-N193 VanDerWaalsContact C-N 3.34Å; L191-N193 PolarHBondContact O-N 3.31Å; N193-S228 PolarHBondContact ND2-OG 3.41Å; N193-S228 PolarHBondContact OD1-OG 3.02Å; N193-R229 WeakPolarHBondContact OD1-CA 3.47Å; N193-R229 WeakPolarHBondContact OD1-CB 3.39Å; N193-R229 PolarHBondContact OD1-N 3.35Å; N193-I230 PolarHBondContact OD1-N 3.31Å; N193-I230 VanDerWaalsContact OD1-N 3.12Å |
| 194 | Q | 95.2 | Very high | 95.3 | Very high | 150 Ų | 150 | 48 Ų | 48 | 70% | 0.701 | 22% | 0.223 | S | C | * | . | H | α-helix | trans | -68.2 | -42.7 | 175.7 | -74.4 | 172 | 14 | 0 | 0 | 111.8 | E190 L191 | E190-Q194 WeakPolarHBondContact O-CB 3.33Å; E190-Q194 VanDerWaalsContact O-CG 3.27Å; E190-Q194 WeakPolarHBondContact O-CG 3.25Å; E190-Q194 PolarHBondContact O-N 3.43Å; L191-Q194 PolarHBondContact O-N 3.3Å |
| 195 | R | 94.9 | Very high | 95 | Very high | 118 Ų | 118 | 45.4 Ų | 45.4 | 45% | 0.445 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -70.2 | -34.7 | 178.7 | -70.6 | 178.8 | 71.5 | 167.8 | -3.1 | 112.2 | L191 A192 E197 | L191-R195 HydrophobicContact CD1-CG 4.23Å; L191-R195 WeakPolarHBondContact O-CB 3.33Å; L191-R195 WeakPolarHBondContact O-CG 3.25Å; L191-R195 PolarHBondContact O-N 3.1Å; A192-R195 PolarHBondContact O-N 3.14Å; R195-E197 HydrophobicContact CB-CG 4.12Å; R195-E197 IonicContact CZ-OE1 3.39Å; R195-E197 IonicContact CZ-OE2 3.77Å; R195-E197 IonicContact NE-OE1 3.79Å; R195-E197 PolarHBondContact NE-OE1 3.29Å; R195-E197 IonicContact NE-OE2 2.92Å; R195-E197 PolarHBondContact NE-OE2 3.29Å; R195-E197 VanDerWaalsContact NH2-CD 3.31Å; R195-E197 IonicContact NH2-OE1 2.74Å; R195-E197 PolarHBondContact NH2-OE1 2.92Å; R195-E197 IonicContact NH2-OE2 3.69Å; R195-E197 PolarHBondContact NH2-OE2 3.42Å; R195-E197 PolarHBondContact O-N 3.42Å |
| 196 | N | 92.9 | Very high | 94.5 | Very high | 119 Ų | 119 | 46.3 Ų | 46.3 | 64% | 0.636 | 22% | 0.219 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52.7 | 37 | 178.6 | -164.6 | 48.5 | 0 | 0 | 0 | 113.3 | A192 | A192-N196 PolarHBondContact O-N 2.94Š|
| 197 | E | 93.1 | Very high | 93.5 | Very high | 87 Ų | 87 | 47.1 Ų | 47.1 | 41% | 0.407 | 23% | 0.232 | S | C | . | . | trans | -94.4 | -18.6 | -178.7 | -68.8 | 168.9 | -154.4 | 0 | 0 | 112.5 | C141 I170 R195 | C141-E197 WeakPolarHBondContact CB-O 3.39Å; C141-E197 PolarHBondContact SG-O 3.49Å; C141-E197 VanDerWaalsContact SG-O 3.33Å; I170-E197 HydrophobicContact CD1-CB 3.53Å; I170-E197 HydrophobicContact CD1-CG 4.43Å; I170-E197 WeakPolarHBondContact CD1-OE2 3.5Å; R195-E197 HydrophobicContact CB-CG 4.12Å; R195-E197 IonicContact CZ-OE1 3.39Å; R195-E197 IonicContact CZ-OE2 3.77Å; R195-E197 IonicContact NE-OE1 3.79Å; R195-E197 PolarHBondContact NE-OE1 3.29Å; R195-E197 IonicContact NE-OE2 2.92Å; R195-E197 PolarHBondContact NE-OE2 3.29Å; R195-E197 VanDerWaalsContact NH2-CD 3.31Å; R195-E197 IonicContact NH2-OE1 2.74Å; R195-E197 PolarHBondContact NH2-OE1 2.92Å; R195-E197 IonicContact NH2-OE2 3.69Å; R195-E197 PolarHBondContact NH2-OE2 3.42Å; R195-E197 PolarHBondContact O-N 3.42Å | ||
| 198 | C | 94.4 | Very high | 92.5 | Very high | 6 Ų | 6 | 40.1 Ų | 40.1 | 4% | 0.041 | 22% | 0.217 | C | C | . | . | trans | -111.6 | 144.8 | -176.7 | -48.6 | 0 | 0 | 0 | 0 | 110.3 | C141 G143 L201 I230 | C141-C198 CarbonylContact O-C 3.58Å; C141-C198 VanDerWaalsContact O-CA 3.22Å; C141-C198 WeakPolarHBondContact O-CA 3.43Å; C141-C198 WeakPolarHBondContact O-CB 3.29Å; G143-C198 VanDerWaalsContact CA-SG 3.52Å; C198-L201 HydrophobicContact CB-CD2 4.23Å; C198-I230 WeakPolarHBondContact O-CD1 3.39Å | ||
| 199 | D | 93.6 | Very high | 91.6 | Very high | 38 Ų | 38 | 42.6 Ų | 42.6 | 20% | 0.203 | 23% | 0.234 | C | C | . | . | S | Bend | trans | -98.8 | -11.4 | 174.4 | 56.2 | -17.4 | 0 | 0 | 0 | 113.3 | P136 A139 H140 C141 P231 | P136-D199 HydrophobicContact CG-CB 4.13Å; A139-D199 WeakPolarHBondContact CA-OD2 3.4Å; H140-D199 IonicContact CG-OD2 3.27Å; H140-D199 VanDerWaalsContact N-CG 3.31Å; H140-D199 PolarHBondContact N-OD1 3.34Å; H140-D199 VanDerWaalsContact N-OD1 3.14Å; H140-D199 PolarHBondContact N-OD2 3.4Å; H140-D199 IonicContact ND1-OD2 2.59Å; H140-D199 PolarHBondContact ND1-OD2 3.33Å; C141-D199 VanDerWaalsContact C-OD1 3.29Å; C141-D199 PolarHBondContact N-OD1 2.92Å; C141-D199 PolarHBondContact O-N 3.25Å; D199-P231 WeakPolarHBondContact O-CD 3.33Å |
| 200 | V | 96.3 | Very high | 90.7 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 145.5 | 169.3 | 63.8 | 0 | 0 | 0 | 0 | 110.8 | L135 P136 A139 V142 G143 V233 V263 | L135-V200 HydrophobicContact CD2-CG2 3.68Å; P136-V200 HydrophobicContact CG-CB 4.08Å; P136-V200 HydrophobicContact CG-CG1 4.49Å; A139-V200 HydrophobicContact CB-CG1 3.77Å; V142-V200 HydrophobicContact CB-CG1 4.33Å; V142-V200 HydrophobicContact CG1-CG1 4.31Å; V142-V200 HydrophobicContact CG2-CG1 3.75Å; G143-V200 PolarHBondContact N-O 3.34Å; V200-V233 HydrophobicContact CG2-CG2 3.83Å; V200-V263 HydrophobicContact CG1-CB 4.05Å; V200-V263 HydrophobicContact CG1-CG1 3.83Å; V200-V263 HydrophobicContact CG2-CG1 3.89Å |
| 201 | L | 97 | Very high | 89.9 | Confident | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 135.1 | 173.7 | -65.2 | -178.7 | 0 | 0 | 0 | 110.9 | G143 I145 Y172 A192 C198 I230 P231 V232 V233 | G143-L201 CarbonylContact O-C 3.32Å; G143-L201 WeakPolarHBondContact O-CA 3.39Å; I145-L201 HydrophobicContact CD1-CD1 4.24Å; Y172-L201 HydrophobicContact CE2-CD2 4.44Å; A192-L201 HydrophobicContact CB-CD1 3.92Å; A192-L201 HydrophobicContact CB-CD2 3.84Å; C198-L201 HydrophobicContact CB-CD2 4.23Å; L201-I230 HydrophobicContact CD1-CB 4.29Å; L201-I230 HydrophobicContact CD1-CG2 4.48Å; L201-I230 HydrophobicContact CG-CB 4.19Å; L201-I230 HydrophobicContact CG-CG2 3.84Å; L201-P231 PolarHBondContact N-O 2.89Å; L201-V232 HydrophobicContact CB-CG2 4.31Å; L201-V232 HydrophobicContact CD1-CG2 4.44Å; L201-V232 CarbonylContact O-C 3.57Å; L201-V232 WeakPolarHBondContact O-CA 3.5Å; L201-V233 PolarHBondContact O-N 3.47Å |
| 202 | I | 96.3 | Very high | 89.3 | Confident | 1 Ų | 1 | 47 Ų | 47 | 1% | 0.005 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 115.4 | 164.9 | -60.2 | 176.8 | 0 | 0 | 0 | 107.3 | V142 G143 I145 I156 V233 A235 A259 V263 | V142-I202 HydrophobicContact CG1-CD1 3.84Å; V142-I202 HydrophobicContact CG1-CG1 3.98Å; G143-I202 PolarHBondContact O-N 3.42Å; I145-I202 PolarHBondContact N-O 2.87Å; I156-I202 HydrophobicContact CD1-CG2 3.88Å; I156-I202 HydrophobicContact CG2-CD1 4.38Å; I202-V233 WeakPolarHBondContact CA-O 3.28Å; I202-V233 HydrophobicContact CG1-CB 4.42Å; I202-A235 HydrophobicContact CG2-CB 4Å; I202-A259 HydrophobicContact CD1-CB 4.06Å; I202-A259 HydrophobicContact CG1-CB 4.34Å; I202-A259 HydrophobicContact CG2-CB 3.87Å; I202-V263 HydrophobicContact CD1-CG1 4.41Å; I202-V263 HydrophobicContact CD1-CG2 3.9Å; I202-V263 HydrophobicContact CG1-CG1 4.44Å |
| 203 | V | 95.5 | Very high | 88.8 | Confident | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 114.6 | 173.4 | 176.5 | 0 | 0 | 0 | 0 | 106.9 | I145 I185 I189 F216 V232 V233 S234 A235 | I145-V203 HydrophobicContact CB-CG2 4.12Å; I145-V203 HydrophobicContact CD1-CG2 3.97Å; I145-V203 HydrophobicContact CG1-CG2 4.36Å; I185-V203 HydrophobicContact CG2-CG1 4.3Å; I189-V203 HydrophobicContact CD1-CG2 4.4Å; I189-V203 HydrophobicContact CG1-CG2 4.38Å; V203-F216 HydrophobicContact CG1-CD1 4.31Å; V203-F216 HydrophobicContact CG1-CE1 3.83Å; V203-V232 HydrophobicContact CB-CG1 4.1Å; V203-V232 HydrophobicContact CG2-CG1 3.62Å; V203-V233 PolarHBondContact N-O 2.8Å; V203-S234 WeakPolarHBondContact O-CA 3.27Å; V203-A235 PolarHBondContact O-N 3.26Å |
| 204 | G | 91.3 | Very high | 88.4 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -164.7 | 159.9 | -170.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | I145 T146 A235 | I145-G204 PolarHBondContact O-N 3.09Å; T146-G204 WeakPolarHBondContact CB-O 3.28Å; T146-G204 PolarHBondContact OG1-O 2.95Å; G204-A235 WeakPolarHBondContact CA-O 3.27Å |
| 205 | R | 90.1 | Very high | 88.2 | Confident | 21 Ų | 21 | 42.1 Ų | 42.1 | 8% | 0.079 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 151.1 | 175 | -178.6 | -169.5 | 154.8 | 146.4 | 14.3 | 107.3 | V176 Q177 D212 F216 A235 G237 | V176-R205 HydrophobicContact CB-CB 4.12Å; V176-R205 HydrophobicContact CB-CG 4.15Å; V176-R205 HydrophobicContact CG2-CB 4.16Å; V176-R205 HydrophobicContact CG2-CG 3.7Å; Q177-R205 VanDerWaalsContact OE1-CZ 3.24Å; R205-D212 VanDerWaalsContact CZ-CG 3.45Å; R205-D212 IonicContact CZ-OD1 2.77Å; R205-D212 IonicContact CZ-OD2 3.23Å; R205-D212 PolarHBondContact NH1-O 3.18Å; R205-D212 IonicContact NH1-OD1 3.47Å; R205-D212 PolarHBondContact NH1-OD1 3.47Å; R205-D212 IonicContact NH1-OD2 2.96Å; R205-D212 VanDerWaalsContact NH2-CB 3.32Å; R205-D212 IonicContact NH2-OD1 2.82Å; R205-D212 PolarHBondContact NH2-OD1 2.88Å; R205-D212 IonicContact NH2-OD2 2.83Å; R205-D212 PolarHBondContact NH2-OD2 2.87Å; R205-F216 HydrophobicContact CB-CE2 3.6Å; R205-F216 HydrophobicContact CB-CZ 3.73Å; R205-F216 HydrophobicContact CG-CE2 4.43Å; R205-A235 PolarHBondContact N-O 3.19Å; R205-A235 VanDerWaalsContact N-O 3.14Å; R205-A235 VanDerWaalsContact O-O 3.09Å; R205-G237 PolarHBondContact O-N 3.06Å |
| 206 | G | 84 | Confident | 88.1 | Confident | 20 Ų | 20 | 36.6 Ų | 36.6 | 21% | 0.206 | 21% | 0.21 | C | C | . | . | trans | -66.1 | -169.7 | 168 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 207 | G | 76 | Confident | 88.1 | Confident | 39 Ų | 39 | 31.2 Ų | 31.2 | 40% | 0.402 | 18% | 0.182 | S | C | . | . | trans | -58.1 | 165.2 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 208 | G | 76 | Confident | 88.1 | Confident | 37 Ų | 37 | 28.7 Ų | 28.7 | 38% | 0.381 | 17% | 0.171 | S | C | . | . | trans | 179.8 | 176.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 209 | S | 77.4 | Confident | 88.1 | Confident | 59 Ų | 59 | 31 Ų | 31 | 41% | 0.413 | 18% | 0.181 | S | C | . | . | trans | -65.6 | 169.7 | 167.9 | 68.5 | 0 | 0 | 0 | 0 | 111.3 | E211 D212 L213 | S209-E211 PolarHBondContact O-N 3.33Å; S209-D212 PolarHBondContact N-OD2 3.37Å; S209-D212 WeakPolarHBondContact O-CB 3.38Å; S209-D212 PolarHBondContact O-N 3.04Å; S209-D212 WeakPolarHBondContact OG-CB 3.46Å; S209-D212 PolarHBondContact OG-N 2.81Å; S209-L213 WeakPolarHBondContact O-CG 3.31Å; S209-L213 PolarHBondContact O-N 3.35Å; S209-L213 VanDerWaalsContact O-N 3.12Å | ||
| 210 | L | 76 | Confident | 88.2 | Confident | 87 Ų | 87 | 35.7 Ų | 35.7 | 46% | 0.455 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -60.6 | -37.2 | 175.5 | -171.4 | 71.3 | 0 | 0 | 0 | 112 | D212 L213 W214 | L210-D212 VanDerWaalsContact C-N 3.29Å; L210-D212 PolarHBondContact O-N 2.96Å; L210-L213 PolarHBondContact O-N 3.45Å; L210-W214 PolarHBondContact O-N 3.46Å; L210-W214 VanDerWaalsContact O-N 3.1Å |
| 211 | E | 80.1 | Confident | 88.1 | Confident | 133 Ų | 133 | 35.7 Ų | 35.7 | 62% | 0.621 | 20% | 0.196 | S | C | * | . | H | α-helix | trans | -62.9 | -39.6 | 176.5 | -62.4 | -179.3 | 166.8 | 0 | 0 | 111.6 | L110 S209 W214 | L110-E211 HydrophobicContact CD1-CG 4.19Å; S209-E211 PolarHBondContact O-N 3.33Å; E211-W214 WeakPolarHBondContact O-CB 2.91Å; E211-W214 PolarHBondContact O-N 2.98Å |
| 212 | D | 83.2 | Confident | 88.1 | Confident | 48 Ų | 48 | 35.7 Ų | 35.7 | 26% | 0.257 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -63.6 | -40.8 | 177.8 | -102 | -24.6 | 0 | 0 | 0 | 112.5 | Q177 R205 S209 L210 W214 | Q177-D212 PolarHBondContact OE1-OD1 2.9Å; R205-D212 VanDerWaalsContact CZ-CG 3.45Å; R205-D212 IonicContact CZ-OD1 2.77Å; R205-D212 IonicContact CZ-OD2 3.23Å; R205-D212 PolarHBondContact NH1-O 3.18Å; R205-D212 IonicContact NH1-OD1 3.47Å; R205-D212 PolarHBondContact NH1-OD1 3.47Å; R205-D212 IonicContact NH1-OD2 2.96Å; R205-D212 VanDerWaalsContact NH2-CB 3.32Å; R205-D212 IonicContact NH2-OD1 2.82Å; R205-D212 PolarHBondContact NH2-OD1 2.88Å; R205-D212 IonicContact NH2-OD2 2.83Å; R205-D212 PolarHBondContact NH2-OD2 2.87Å; S209-D212 PolarHBondContact N-OD2 3.37Å; S209-D212 WeakPolarHBondContact O-CB 3.38Å; S209-D212 PolarHBondContact O-N 3.04Å; S209-D212 WeakPolarHBondContact OG-CB 3.46Å; S209-D212 PolarHBondContact OG-N 2.81Å; L210-D212 VanDerWaalsContact C-N 3.29Å; L210-D212 PolarHBondContact O-N 2.96Å; D212-W214 VanDerWaalsContact C-N 3.28Å |
| 213 | L | 85.5 | Confident | 88 | Confident | 7 Ų | 7 | 40.1 Ų | 40.1 | 4% | 0.037 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -83.7 | -6.8 | 179.3 | -58 | 171.7 | 0 | 0 | 0 | 112.4 | S209 L210 S215 F216 V236 D241 | S209-L213 WeakPolarHBondContact O-CG 3.31Å; S209-L213 PolarHBondContact O-N 3.35Å; S209-L213 VanDerWaalsContact O-N 3.12Å; L210-L213 PolarHBondContact O-N 3.45Å; L213-S215 PolarHBondContact O-N 2.87Å; L213-S215 VanDerWaalsContact O-N 3.17Å; L213-F216 PolarHBondContact O-N 3Å; L213-F216 VanDerWaalsContact O-N 3.09Å; L213-V236 HydrophobicContact CD2-CG1 3.67Å; L213-D241 HydrophobicContact CD1-CB 3.9Å |
| 214 | W | 88.2 | Confident | 88 | Confident | 59 Ų | 59 | 40.8 Ų | 40.8 | 22% | 0.223 | 22% | 0.218 | C | C | . | . | G | 310 helix | trans | -61.5 | -28.5 | -173.3 | -167 | -102.6 | 0 | 0 | 0 | 113.6 | L110 K113 L210 E211 D212 F216 N217 | L110-W214 HydrophobicContact CB-CE3 4.01Å; L110-W214 HydrophobicContact CB-CH2 3.98Å; L110-W214 HydrophobicContact CB-CZ2 4.48Å; L110-W214 HydrophobicContact CB-CZ3 3.69Å; L110-W214 HydrophobicContact CD2-CD2 3.6Å; L110-W214 VanDerWaalsContact CD2-CE2 3.46Å; L110-W214 HydrophobicContact CD2-CE3 3.92Å; L110-W214 HydrophobicContact CD2-CG 4.15Å; L110-W214 HydrophobicContact CD2-CH2 4.08Å; L110-W214 HydrophobicContact CD2-CZ2 3.72Å; L110-W214 HydrophobicContact CD2-CZ3 4.15Å; L110-W214 HydrophobicContact CG-CD2 4.49Å; L110-W214 HydrophobicContact CG-CE3 4.37Å; L110-W214 HydrophobicContact CG-CZ3 4.45Å; L110-W214 WeakPolarHBondContact O-CH2 3.43Å; L110-W214 WeakPolarHBondContact O-CZ3 3.33Å; K113-W214 HydrophobicContact CB-CH2 4.02Å; K113-W214 HydrophobicContact CB-CZ2 3.94Å; L210-W214 PolarHBondContact O-N 3.46Å; L210-W214 VanDerWaalsContact O-N 3.1Å; E211-W214 WeakPolarHBondContact O-CB 2.91Å; E211-W214 PolarHBondContact O-N 2.98Å; D212-W214 VanDerWaalsContact C-N 3.28Å; W214-F216 PolarHBondContact O-N 3.3Å; W214-F216 VanDerWaalsContact O-N 3.09Å; W214-N217 HydrophobicContact CD2-CB 4.24Å; W214-N217 HydrophobicContact CE3-CB 4.19Å; W214-N217 HydrophobicContact CH2-CB 4.4Å; W214-N217 HydrophobicContact CZ3-CB 4.27Å; W214-N217 WeakPolarHBondContact O-CA 3.37Å; W214-N217 WeakPolarHBondContact O-CB 3.44Å; W214-N217 PolarHBondContact O-N 3.4Å |
| 215 | S | 91.1 | Very high | 88.2 | Confident | 6 Ų | 6 | 40.9 Ų | 40.9 | 4% | 0.042 | 22% | 0.218 | C | C | . | . | G | 310 helix | trans | -58.3 | -24.9 | 177.3 | -49.5 | 0 | 0 | 0 | 0 | 113.2 | G178 A181 L213 | G178-S215 PolarHBondContact O-OG 3.5Å; A181-S215 WeakPolarHBondContact CB-OG 3.49Å; L213-S215 PolarHBondContact O-N 2.87Å; L213-S215 VanDerWaalsContact O-N 3.17Å |
| 216 | F | 92.8 | Very high | 88.5 | Confident | 1 Ų | 1 | 43.6 Ų | 43.6 | 0% | 0.004 | 23% | 0.231 | C | C | . | . | G | 310 helix | trans | -87.8 | -5.1 | 176 | -60.7 | -84.7 | 0 | 0 | 0 | 113.5 | V176 I185 V203 R205 L213 W214 V236 T243 A245 | V176-F216 HydrophobicContact CB-CE2 4.31Å; V176-F216 HydrophobicContact CB-CZ 4.06Å; V176-F216 HydrophobicContact CG1-CZ 4.24Å; I185-F216 HydrophobicContact CD1-CD1 4.38Å; I185-F216 HydrophobicContact CD1-CE1 4.01Å; I185-F216 HydrophobicContact CD1-CZ 4.23Å; V203-F216 HydrophobicContact CG1-CD1 4.31Å; V203-F216 HydrophobicContact CG1-CE1 3.83Å; R205-F216 HydrophobicContact CB-CE2 3.6Å; R205-F216 HydrophobicContact CB-CZ 3.73Å; R205-F216 HydrophobicContact CG-CE2 4.43Å; L213-F216 PolarHBondContact O-N 3Å; L213-F216 VanDerWaalsContact O-N 3.09Å; W214-F216 PolarHBondContact O-N 3.3Å; W214-F216 VanDerWaalsContact O-N 3.09Å; F216-V236 HydrophobicContact CB-CG1 4.36Å; F216-V236 HydrophobicContact CB-CG2 4.3Å; F216-V236 HydrophobicContact CD1-CG2 3.5Å; F216-V236 VanDerWaalsContact CD1-CG2 3.5Å; F216-V236 HydrophobicContact CD2-CG1 3.7Å; F216-V236 HydrophobicContact CD2-CG2 4.06Å; F216-V236 HydrophobicContact CE1-CG2 3.73Å; F216-V236 HydrophobicContact CE2-CG1 4.13Å; F216-V236 HydrophobicContact CE2-CG2 4.27Å; F216-V236 HydrophobicContact CG-CB 4.5Å; F216-V236 HydrophobicContact CG-CG1 3.97Å; F216-V236 HydrophobicContact CG-CG2 3.68Å; F216-V236 HydrophobicContact CZ-CG2 4.11Å; F216-T243 HydrophobicContact CB-CG2 4.06Å; F216-A245 HydrophobicContact CB-CB 4Å; F216-A245 HydrophobicContact CD1-CB 4.3Å; F216-A245 WeakPolarHBondContact O-CB 3.09Å; F216-A245 PolarHBondContact O-N 2.89Å; F216-A245 VanDerWaalsContact O-N 3.09Å |
| 217 | N | 92.2 | Very high | 89 | Confident | 7 Ų | 7 | 46.2 Ų | 46.2 | 4% | 0.037 | 25% | 0.251 | C | S | . | . | G | 310 helix | trans | -98.5 | 11.9 | 171.5 | -64.5 | -35.3 | 0 | 0 | 0 | 112.5 | Y114 L117 W214 T243 I244 | Y114-N217 HydrophobicContact CD2-CB 4.36Å; L117-N217 WeakPolarHBondContact CD2-O 3.38Å; W214-N217 HydrophobicContact CD2-CB 4.24Å; W214-N217 HydrophobicContact CE3-CB 4.19Å; W214-N217 HydrophobicContact CH2-CB 4.4Å; W214-N217 HydrophobicContact CZ3-CB 4.27Å; W214-N217 WeakPolarHBondContact O-CA 3.37Å; W214-N217 WeakPolarHBondContact O-CB 3.44Å; W214-N217 PolarHBondContact O-N 3.4Å; N217-T243 VanDerWaalsContact OD1-CA 3.25Å; N217-T243 WeakPolarHBondContact OD1-CA 3.44Å; N217-T243 WeakPolarHBondContact OD1-CB 3.47Å; N217-I244 HydrophobicContact CB-CD1 4.16Å; N217-I244 HydrophobicContact CB-CG1 4.38Å; N217-I244 PolarHBondContact OD1-N 2.97Å |
| 218 | D | 93.2 | Very high | 90 | Very high | 33 Ų | 33 | 44.5 Ų | 44.5 | 18% | 0.176 | 23% | 0.232 | C | C | . | . | trans | -81.5 | 134.3 | 176.5 | -167.8 | -68.7 | 0 | 0 | 0 | 111.2 | P182 R220 V221 A222 | P182-D218 HydrophobicContact CB-CB 3.72Å; P182-D218 WeakPolarHBondContact CB-OD2 3.47Å; P182-D218 HydrophobicContact CG-CB 3.82Å; D218-R220 PolarHBondContact O-N 3.37Å; D218-R220 WeakPolarHBondContact OD1-CB 3.36Å; D218-R220 WeakPolarHBondContact OD1-CG 3.28Å; D218-R220 IonicContact OD1-CZ 3.12Å; D218-R220 PolarHBondContact OD1-N 2.89Å; D218-R220 IonicContact OD1-NE 3.32Å; D218-R220 PolarHBondContact OD1-NE 2.95Å; D218-R220 IonicContact OD1-NH2 3.04Å; D218-R220 IonicContact OD2-CZ 2.77Å; D218-R220 IonicContact OD2-NE 2.71Å; D218-R220 PolarHBondContact OD2-NE 3.47Å; D218-R220 IonicContact OD2-NH2 3.41Å; D218-R220 PolarHBondContact OD2-NH2 3.37Å; D218-V221 HydrophobicContact CB-CB 4.47Å; D218-V221 HydrophobicContact CB-CG2 4.18Å; D218-V221 PolarHBondContact O-N 3.46Å; D218-V221 VanDerWaalsContact O-N 3.14Å; D218-A222 PolarHBondContact O-N 3.37Å; D218-A222 VanDerWaalsContact O-N 3.07Å | ||
| 219 | E | 94.4 | Very high | 90.8 | Very high | 55 Ų | 55 | 52.3 Ų | 52.3 | 26% | 0.257 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -58.1 | -34.6 | 179.7 | -174.5 | 171.9 | 164.8 | 0 | 0 | 112.4 | L117 K120 L121 A222 R223 | L117-E219 HydrophobicContact CD1-CB 3.86Å; L117-E219 HydrophobicContact CD1-CG 3.97Å; L117-E219 HydrophobicContact CD2-CB 4.1Å; K120-E219 IonicContact NZ-OE1 3.18Å; K120-E219 PolarHBondContact NZ-OE1 2.87Å; K120-E219 IonicContact NZ-OE2 2.99Å; K120-E219 PolarHBondContact NZ-OE2 3.29Å; L121-E219 HydrophobicContact CD2-CG 4.32Å; E219-A222 PolarHBondContact O-N 2.67Å; E219-R223 HydrophobicContact CG-CG 4.48Å; E219-R223 WeakPolarHBondContact O-CG 3.41Å; E219-R223 PolarHBondContact O-N 3.03Å; E219-R223 IonicContact OE1-CZ 3.87Å; E219-R223 VanDerWaalsContact OE1-CZ 3.28Å; E219-R223 IonicContact OE1-NE 2.7Å; E219-R223 PolarHBondContact OE1-NE 2.9Å; E219-R223 IonicContact OE1-NH2 3.89Å; E219-R223 PolarHBondContact OE1-NH2 3.47Å |
| 220 | R | 95 | Very high | 91.7 | Very high | 136 Ų | 136 | 49.9 Ų | 49.9 | 51% | 0.513 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -66.8 | -40.2 | 179.7 | -59.4 | 170 | -71.6 | 179.2 | -2.9 | 111.1 | V186 D218 R223 A224 | V186-R220 HydrophobicContact CG2-CB 3.98Å; V186-R220 WeakPolarHBondContact CG2-O 3.25Å; D218-R220 PolarHBondContact O-N 3.37Å; D218-R220 WeakPolarHBondContact OD1-CB 3.36Å; D218-R220 WeakPolarHBondContact OD1-CG 3.28Å; D218-R220 IonicContact OD1-CZ 3.12Å; D218-R220 PolarHBondContact OD1-N 2.89Å; D218-R220 IonicContact OD1-NE 3.32Å; D218-R220 PolarHBondContact OD1-NE 2.95Å; D218-R220 IonicContact OD1-NH2 3.04Å; D218-R220 IonicContact OD2-CZ 2.77Å; D218-R220 IonicContact OD2-NE 2.71Å; D218-R220 PolarHBondContact OD2-NE 3.47Å; D218-R220 IonicContact OD2-NH2 3.41Å; D218-R220 PolarHBondContact OD2-NH2 3.37Å; R220-R223 PolarHBondContact O-N 3.46Å; R220-A224 WeakPolarHBondContact O-CB 3.47Å; R220-A224 PolarHBondContact O-N 3.23Å |
| 221 | V | 95.6 | Very high | 92.7 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -66.5 | -46.4 | 176.7 | 174.8 | 0 | 0 | 0 | 0 | 110.1 | P182 I185 V186 D218 R223 A224 I225 | P182-V221 HydrophobicContact CB-CG2 3.86Å; I185-V221 HydrophobicContact CB-CG2 4.08Å; I185-V221 HydrophobicContact CD1-CG2 4.44Å; I185-V221 HydrophobicContact CG2-CG1 3.8Å; I185-V221 HydrophobicContact CG2-CG2 4.07Å; V186-V221 HydrophobicContact CG2-CG2 4.19Å; D218-V221 HydrophobicContact CB-CB 4.47Å; D218-V221 HydrophobicContact CB-CG2 4.18Å; D218-V221 PolarHBondContact O-N 3.46Å; D218-V221 VanDerWaalsContact O-N 3.14Å; V221-R223 PolarHBondContact O-N 3.02Å; V221-A224 PolarHBondContact O-N 2.91Å; V221-I225 HydrophobicContact CG1-CD1 3.88Å; V221-I225 HydrophobicContact CG1-CG1 4.39Å; V221-I225 WeakPolarHBondContact O-CG1 3.37Å; V221-I225 PolarHBondContact O-N 3.4Å |
| 222 | A | 95.3 | Very high | 93.5 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -54 | -51.2 | 175 | 0 | 0 | 0 | 0 | 0 | 111.6 | L121 D218 E219 A224 I225 F226 I244 V248 | L121-A222 HydrophobicContact CD1-CB 3.71Å; D218-A222 PolarHBondContact O-N 3.37Å; D218-A222 VanDerWaalsContact O-N 3.07Å; E219-A222 PolarHBondContact O-N 2.67Å; A222-A224 VanDerWaalsContact C-N 3.35Å; A222-A224 PolarHBondContact O-N 3.03Å; A222-I225 PolarHBondContact O-N 2.95Å; A222-F226 PolarHBondContact O-N 2.93Å; A222-I244 HydrophobicContact CB-CG2 3.81Å; A222-V248 HydrophobicContact CB-CG2 4.01Å; A222-V248 WeakPolarHBondContact O-CG1 3.43Å |
| 223 | R | 95 | Very high | 94.1 | Very high | 95 Ų | 95 | 38 Ų | 38 | 36% | 0.358 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -64.5 | -36.7 | 178.7 | -69.2 | -175.5 | -174.3 | -71.9 | -2.1 | 112.9 | E124 L126 E219 R220 V221 F226 A227 | E124-R223 VanDerWaalsContact CD-NH2 3.32Å; E124-R223 IonicContact OE1-NH2 2.98Å; E124-R223 PolarHBondContact OE1-NH2 3.16Å; E124-R223 IonicContact OE2-CZ 3.24Å; E124-R223 VanDerWaalsContact OE2-CZ 3.23Å; E124-R223 IonicContact OE2-NH1 3.34Å; E124-R223 PolarHBondContact OE2-NH1 3.23Å; E124-R223 IonicContact OE2-NH2 3.77Å; E124-R223 PolarHBondContact OE2-NH2 3.34Å; L126-R223 HydrophobicContact CD2-CG 4.39Å; E219-R223 HydrophobicContact CG-CG 4.48Å; E219-R223 WeakPolarHBondContact O-CG 3.41Å; E219-R223 PolarHBondContact O-N 3.03Å; E219-R223 IonicContact OE1-CZ 3.87Å; E219-R223 VanDerWaalsContact OE1-CZ 3.28Å; E219-R223 IonicContact OE1-NE 2.7Å; E219-R223 PolarHBondContact OE1-NE 2.9Å; E219-R223 IonicContact OE1-NH2 3.89Å; E219-R223 PolarHBondContact OE1-NH2 3.47Å; R220-R223 PolarHBondContact O-N 3.46Å; V221-R223 PolarHBondContact O-N 3.02Å; R223-F226 PolarHBondContact O-N 3.14Å; R223-A227 VanDerWaalsContact O-CB 3.25Å; R223-A227 WeakPolarHBondContact O-CB 3.37Å; R223-A227 PolarHBondContact O-N 3Å |
| 224 | A | 96 | Very high | 94.6 | Very high | 13 Ų | 13 | 37.6 Ų | 37.6 | 11% | 0.107 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -67 | -39.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | V186 I189 R220 V221 A222 A227 S228 | V186-A224 HydrophobicContact CB-CB 4.24Å; V186-A224 HydrophobicContact CG1-CB 4.03Å; V186-A224 HydrophobicContact CG2-CB 3.85Å; I189-A224 HydrophobicContact CD1-CB 4.17Å; R220-A224 WeakPolarHBondContact O-CB 3.47Å; R220-A224 PolarHBondContact O-N 3.23Å; V221-A224 PolarHBondContact O-N 2.91Å; A222-A224 VanDerWaalsContact C-N 3.35Å; A222-A224 PolarHBondContact O-N 3.03Å; A224-A227 PolarHBondContact O-N 3.02Å; A224-S228 PolarHBondContact O-N 3.5Å |
| 225 | I | 96.2 | Very high | 94.8 | Very high | 3 Ų | 3 | 34.8 Ų | 34.8 | 2% | 0.015 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -62.4 | -49.2 | 174 | -68.3 | 171.8 | 0 | 0 | 0 | 109.8 | I189 V221 A222 A227 S228 V232 A245 V248 A249 | I189-I225 HydrophobicContact CD1-CG1 3.72Å; V221-I225 HydrophobicContact CG1-CD1 3.88Å; V221-I225 HydrophobicContact CG1-CG1 4.39Å; V221-I225 WeakPolarHBondContact O-CG1 3.37Å; V221-I225 PolarHBondContact O-N 3.4Å; A222-I225 PolarHBondContact O-N 2.95Å; I225-A227 VanDerWaalsContact C-N 3.31Å; I225-A227 PolarHBondContact O-N 3.49Å; I225-S228 VanDerWaalsContact O-CB 3.25Å; I225-S228 WeakPolarHBondContact O-CB 3.4Å; I225-S228 PolarHBondContact O-N 2.91Å; I225-V232 HydrophobicContact CG1-CG1 4.42Å; I225-V232 HydrophobicContact CG2-CB 4Å; I225-V232 HydrophobicContact CG2-CG1 4.05Å; I225-V232 HydrophobicContact CG2-CG2 4.26Å; I225-A245 HydrophobicContact CD1-CB 3.61Å; I225-V248 HydrophobicContact CB-CG1 4.19Å; I225-V248 HydrophobicContact CG2-CB 4.31Å; I225-V248 HydrophobicContact CG2-CG1 3.99Å; I225-A249 HydrophobicContact CG2-CB 4.24Å |
| 226 | F | 95.5 | Very high | 94.8 | Very high | 77 Ų | 77 | 34.5 Ų | 34.5 | 34% | 0.338 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -60.1 | -40.1 | 178.6 | -170.5 | -98.8 | 0 | 0 | 0 | 112.7 | L126 Y131 A222 R223 S228 V248 | L126-F226 HydrophobicContact CB-CD2 4.12Å; L126-F226 HydrophobicContact CB-CE2 4.36Å; L126-F226 HydrophobicContact CD2-CB 4.08Å; L126-F226 HydrophobicContact CD2-CD2 4.45Å; L126-F226 HydrophobicContact CD2-CG 4.15Å; L126-F226 HydrophobicContact CG-CB 4.42Å; L126-F226 HydrophobicContact CG-CD1 4.31Å; L126-F226 HydrophobicContact CG-CD2 3.9Å; L126-F226 HydrophobicContact CG-CE2 4.2Å; L126-F226 HydrophobicContact CG-CG 3.95Å; Y131-F226 HydrophobicContact CD1-CZ 4.14Å; Y131-F226 AromaticContact CD2-CE2 3.93Å; Y131-F226 HydrophobicContact CD2-CE2 3.93Å; Y131-F226 AromaticContact CD2-CZ 3.89Å; Y131-F226 HydrophobicContact CD2-CZ 3.89Å; Y131-F226 HydrophobicContact CE2-CZ 4.48Å; Y131-F226 AromaticContact CG-CE2 3.83Å; Y131-F226 HydrophobicContact CG-CE2 3.83Å; Y131-F226 AromaticContact CG-CZ 3.71Å; Y131-F226 HydrophobicContact CG-CZ 3.71Å; A222-F226 PolarHBondContact O-N 2.93Å; R223-F226 PolarHBondContact O-N 3.14Å; F226-S228 VanDerWaalsContact C-N 3.33Å; F226-V248 HydrophobicContact CB-CG1 3.59Å; F226-V248 HydrophobicContact CD2-CG1 4.13Å; F226-V248 HydrophobicContact CG-CG1 4.36Å |
| 227 | A | 95 | Very high | 94.3 | Very high | 76 Ų | 76 | 34.5 Ų | 34.5 | 63% | 0.628 | 16% | 0.161 | S | C | * | . | H | α-helix | trans | -79.9 | -11.7 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114 | R223 A224 I225 R229 | R223-A227 VanDerWaalsContact O-CB 3.25Å; R223-A227 WeakPolarHBondContact O-CB 3.37Å; R223-A227 PolarHBondContact O-N 3Å; A224-A227 PolarHBondContact O-N 3.02Å; I225-A227 VanDerWaalsContact C-N 3.31Å; I225-A227 PolarHBondContact O-N 3.49Å; A227-R229 PolarHBondContact O-N 3.29Å |
| 228 | S | 95.8 | Very high | 93.8 | Very high | 2 Ų | 2 | 39 Ų | 39 | 1% | 0.014 | 18% | 0.181 | C | C | . | . | trans | -58.5 | 132.5 | -179.9 | -177.9 | 0 | 0 | 0 | 0 | 110.1 | K133 N193 A224 I225 F226 I230 | K133-S228 PolarHBondContact NZ-O 3.4Å; N193-S228 PolarHBondContact ND2-OG 3.41Å; N193-S228 PolarHBondContact OD1-OG 3.02Å; A224-S228 PolarHBondContact O-N 3.5Å; I225-S228 VanDerWaalsContact O-CB 3.25Å; I225-S228 WeakPolarHBondContact O-CB 3.4Å; I225-S228 PolarHBondContact O-N 2.91Å; F226-S228 VanDerWaalsContact C-N 3.33Å; S228-I230 PolarHBondContact OG-N 3.49Å; S228-I230 PolarHBondContact OG-O 2.89Å | ||
| 229 | R | 94.2 | Very high | 92.8 | Very high | 202 Ų | 202 | 44.6 Ų | 44.6 | 76% | 0.762 | 21% | 0.206 | S | C | * | . | S | Bend | trans | -74.1 | -38.4 | 173.6 | -63.2 | 178.7 | -176 | 171.5 | 1.1 | 111.2 | K133 N193 A227 | K133-R229 VanDerWaalsContact NZ-C 3.34Å; K133-R229 VanDerWaalsContact NZ-CA 3.29Å; K133-R229 PolarHBondContact NZ-O 3.37Å; N193-R229 WeakPolarHBondContact OD1-CA 3.47Å; N193-R229 WeakPolarHBondContact OD1-CB 3.39Å; N193-R229 PolarHBondContact OD1-N 3.35Å; A227-R229 PolarHBondContact O-N 3.29Å |
| 230 | I | 95.6 | Very high | 91.9 | Very high | 7 Ų | 7 | 47.8 Ų | 47.8 | 4% | 0.036 | 23% | 0.229 | C | C | . | . | S | Bend | trans | -77.8 | 131.7 | 176.3 | -54.7 | 166.2 | 0 | 0 | 0 | 109.1 | A192 N193 C198 L201 S228 | A192-I230 WeakPolarHBondContact O-CD1 3.48Å; N193-I230 PolarHBondContact OD1-N 3.31Å; N193-I230 VanDerWaalsContact OD1-N 3.12Å; C198-I230 WeakPolarHBondContact O-CD1 3.39Å; L201-I230 HydrophobicContact CD1-CB 4.29Å; L201-I230 HydrophobicContact CD1-CG2 4.48Å; L201-I230 HydrophobicContact CG-CB 4.19Å; L201-I230 HydrophobicContact CG-CG2 3.84Å; S228-I230 PolarHBondContact OG-N 3.49Å; S228-I230 PolarHBondContact OG-O 2.89Å |
| 231 | P | 96.2 | Very high | 91.1 | Very high | 18 Ų | 18 | 43.4 Ų | 43.4 | 12% | 0.117 | 22% | 0.216 | C | C | . | . | trans | -54.4 | 136.1 | 174.7 | -25.9 | 32.8 | 0 | 0 | 0 | 113.1 | K133 L135 D199 L201 D250 | K133-P231 HydrophobicContact CB-CB 4.26Å; K133-P231 HydrophobicContact CB-CG 3.97Å; K133-P231 HydrophobicContact CD-CG 4.42Å; L135-P231 HydrophobicContact CD2-CB 3.88Å; D199-P231 WeakPolarHBondContact O-CD 3.33Å; L201-P231 PolarHBondContact N-O 2.89Å; P231-D250 WeakPolarHBondContact CA-OD2 3.49Å | ||
| 232 | V | 97.1 | Very high | 90.7 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 127 | -176.5 | -175.2 | 0 | 0 | 0 | 0 | 110.9 | L201 V203 I225 D250 L251 | L201-V232 HydrophobicContact CB-CG2 4.31Å; L201-V232 HydrophobicContact CD1-CG2 4.44Å; L201-V232 CarbonylContact O-C 3.57Å; L201-V232 WeakPolarHBondContact O-CA 3.5Å; V203-V232 HydrophobicContact CB-CG1 4.1Å; V203-V232 HydrophobicContact CG2-CG1 3.62Å; I225-V232 HydrophobicContact CG1-CG1 4.42Å; I225-V232 HydrophobicContact CG2-CB 4Å; I225-V232 HydrophobicContact CG2-CG1 4.05Å; I225-V232 HydrophobicContact CG2-CG2 4.26Å; V232-D250 PolarHBondContact N-OD2 2.93Å; V232-D250 PolarHBondContact O-N 2.92Å; V232-L251 PolarHBondContact O-N 3.37Å |
| 233 | V | 96.5 | Very high | 90.5 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 117.4 | 168.9 | -176 | 0 | 0 | 0 | 0 | 108.4 | L135 V200 L201 I202 V203 L251 A253 A259 V263 | L135-V233 HydrophobicContact CD1-CG2 4.09Å; L135-V233 HydrophobicContact CD2-CG2 3.64Å; V200-V233 HydrophobicContact CG2-CG2 3.83Å; L201-V233 PolarHBondContact O-N 3.47Å; I202-V233 WeakPolarHBondContact CA-O 3.28Å; I202-V233 HydrophobicContact CG1-CB 4.42Å; V203-V233 PolarHBondContact N-O 2.8Å; V233-L251 CarbonylContact C-O 3.59Å; V233-L251 VanDerWaalsContact CA-O 3.3Å; V233-L251 WeakPolarHBondContact CA-O 3.33Å; V233-L251 HydrophobicContact CG1-CD2 4.43Å; V233-L251 HydrophobicContact CG2-CB 4.36Å; V233-A253 HydrophobicContact CG1-CB 3.87Å; V233-A259 HydrophobicContact CG1-CB 3.86Å; V233-V263 HydrophobicContact CG2-CG1 4.12Å |
| 234 | S | 95.6 | Very high | 90.4 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 132.6 | 172.1 | -174.9 | 0 | 0 | 0 | 0 | 110 | V203 D246 L251 A253 | V203-S234 WeakPolarHBondContact O-CA 3.27Å; S234-D246 WeakPolarHBondContact CB-OD1 3.35Å; S234-D246 PolarHBondContact OG-OD1 3.26Å; S234-L251 PolarHBondContact N-O 2.97Å; S234-A253 PolarHBondContact O-N 2.84Å |
| 235 | A | 93.7 | Very high | 90.3 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 62.4 | -176.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | I202 V203 G204 R205 A253 A259 | I202-A235 HydrophobicContact CG2-CB 4Å; V203-A235 PolarHBondContact O-N 3.26Å; G204-A235 WeakPolarHBondContact CA-O 3.27Å; R205-A235 PolarHBondContact N-O 3.19Å; R205-A235 VanDerWaalsContact N-O 3.14Å; R205-A235 VanDerWaalsContact O-O 3.09Å; A235-A253 HydrophobicContact CB-CB 4.41Å; A235-A259 HydrophobicContact CB-CB 3.52Å |
| 236 | V | 89.8 | Confident | 90.2 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 121 | -172.2 | -177.3 | 0 | 0 | 0 | 0 | 109.8 | L213 F216 T243 | L213-V236 HydrophobicContact CD2-CG1 3.67Å; F216-V236 HydrophobicContact CB-CG1 4.36Å; F216-V236 HydrophobicContact CB-CG2 4.3Å; F216-V236 HydrophobicContact CD1-CG2 3.5Å; F216-V236 VanDerWaalsContact CD1-CG2 3.5Å; F216-V236 HydrophobicContact CD2-CG1 3.7Å; F216-V236 HydrophobicContact CD2-CG2 4.06Å; F216-V236 HydrophobicContact CE1-CG2 3.73Å; F216-V236 HydrophobicContact CE2-CG1 4.13Å; F216-V236 HydrophobicContact CE2-CG2 4.27Å; F216-V236 HydrophobicContact CG-CB 4.5Å; F216-V236 HydrophobicContact CG-CG1 3.97Å; F216-V236 HydrophobicContact CG-CG2 3.68Å; F216-V236 HydrophobicContact CZ-CG2 4.11Å; V236-T243 HydrophobicContact CB-CG2 4.3Å; V236-T243 HydrophobicContact CG1-CG2 3.68Å |
| 237 | G | 82.3 | Confident | 90.1 | Very high | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.01 | 21% | 0.206 | C | C | . | . | S | Bend | trans | 72.3 | -140 | 172.4 | 0 | 0 | 0 | 0 | 0 | 115 | R205 | R205-G237 PolarHBondContact O-N 3.06Š|
| 238 | H | 81.4 | Confident | 90.1 | Very high | 102 Ų | 102 | 36.6 Ų | 36.6 | 47% | 0.472 | 18% | 0.177 | S | C | . | . | S | Bend | trans | -118.8 | -175.7 | 176.1 | -64.5 | 87.3 | 0 | 0 | 0 | 111.9 | T240 D241 P254 | H238-T240 PolarHBondContact O-N 2.96Å; H238-T240 VanDerWaalsContact O-N 3.09Å; H238-D241 PolarHBondContact N-OD2 3.41Å; H238-D241 IonicContact ND1-OD2 3.58Å; H238-D241 PolarHBondContact O-N 3.32Å; H238-P254 CarbonylContact C-O 3.55Å; H238-P254 WeakPolarHBondContact CA-O 3.17Å |
| 239 | E | 72.8 | Confident | 90 | Very high | 150 Ų | 150 | 36.5 Ų | 36.5 | 70% | 0.701 | 18% | 0.176 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -53.8 | -34 | -176.7 | -70.4 | -170.3 | 163.3 | 0 | 0 | 114.6 | R252 P254 | E239-R252 PolarHBondContact O-NH2 2.87Å; E239-P254 HydrophobicContact CG-CB 3.76Å |
| 240 | T | 75.9 | Confident | 90.1 | Very high | 121 Ų | 121 | 27.9 Ų | 27.9 | 74% | 0.742 | 15% | 0.146 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.6 | -19.9 | 179.8 | 49.6 | 0 | 0 | 0 | 0 | 114.1 | H238 V242 | H238-T240 PolarHBondContact O-N 2.96Å; H238-T240 VanDerWaalsContact O-N 3.09Å; T240-V242 PolarHBondContact O-N 3.18Å |
| 241 | D | 78.2 | Confident | 90 | Very high | 44 Ų | 44 | 30.3 Ų | 30.3 | 24% | 0.235 | 16% | 0.159 | C | C | . | . | trans | -93.7 | 86.6 | -169.3 | -50.5 | -26.1 | 0 | 0 | 0 | 108.1 | L213 H238 | L213-D241 HydrophobicContact CD1-CB 3.9Å; H238-D241 PolarHBondContact N-OD2 3.41Å; H238-D241 IonicContact ND1-OD2 3.58Å; H238-D241 PolarHBondContact O-N 3.32Å | ||
| 242 | V | 86.6 | Confident | 89.9 | Confident | 49 Ų | 49 | 33.8 Ų | 33.8 | 30% | 0.297 | 17% | 0.169 | S | C | . | . | trans | -99.5 | 111.3 | -178.7 | -165.3 | 0 | 0 | 0 | 0 | 110.4 | Y114 T240 D246 F247 | Y114-V242 PolarHBondContact OH-O 3.45Å; T240-V242 PolarHBondContact O-N 3.18Å; V242-D246 HydrophobicContact CG1-CB 4.24Å; V242-F247 HydrophobicContact CB-CE2 4.45Å; V242-F247 HydrophobicContact CB-CZ 4.49Å; V242-F247 HydrophobicContact CG1-CD2 4.21Å; V242-F247 HydrophobicContact CG1-CE1 4.21Å; V242-F247 HydrophobicContact CG1-CE2 3.43Å; V242-F247 VanDerWaalsContact CG1-CE2 3.43Å; V242-F247 HydrophobicContact CG1-CZ 3.43Å; V242-F247 VanDerWaalsContact CG1-CZ 3.43Å | ||
| 243 | T | 91.3 | Very high | 89.7 | Confident | 3 Ų | 3 | 34 Ų | 34 | 2% | 0.018 | 17% | 0.171 | C | C | . | . | trans | -96.1 | 167.4 | 179.3 | 65.7 | 0 | 0 | 0 | 0 | 112.2 | F216 N217 V236 A245 D246 F247 | F216-T243 HydrophobicContact CB-CG2 4.06Å; N217-T243 VanDerWaalsContact OD1-CA 3.25Å; N217-T243 WeakPolarHBondContact OD1-CA 3.44Å; N217-T243 WeakPolarHBondContact OD1-CB 3.47Å; V236-T243 HydrophobicContact CB-CG2 4.3Å; V236-T243 HydrophobicContact CG1-CG2 3.68Å; T243-A245 VanDerWaalsContact C-N 3.29Å; T243-A245 PolarHBondContact O-N 3.4Å; T243-D246 PolarHBondContact N-OD2 2.59Å; T243-D246 WeakPolarHBondContact O-CB 3.4Å; T243-D246 PolarHBondContact O-N 3Å; T243-D246 VanDerWaalsContact OG1-CG 3.31Å; T243-D246 PolarHBondContact OG1-N 2.87Å; T243-D246 PolarHBondContact OG1-OD2 3.27Å; T243-F247 VanDerWaalsContact O-CD2 3.24Å; T243-F247 WeakPolarHBondContact O-CD2 3.37Å | ||
| 244 | I | 93.2 | Very high | 89.4 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -64.1 | -38.3 | 174.8 | -63.7 | 177 | 0 | 0 | 0 | 110.5 | Y114 L117 L121 F127 N217 A222 D246 F247 V248 | Y114-I244 HydrophobicContact CD2-CD1 4.1Å; Y114-I244 HydrophobicContact CD2-CG1 3.9Å; Y114-I244 HydrophobicContact CE2-CD1 4.46Å; Y114-I244 HydrophobicContact CE2-CG1 3.77Å; L117-I244 HydrophobicContact CB-CD1 3.85Å; L117-I244 HydrophobicContact CD2-CD1 3.41Å; L117-I244 VanDerWaalsContact CD2-CD1 3.41Å; L117-I244 HydrophobicContact CG-CD1 3.58Å; L121-I244 HydrophobicContact CD1-CG2 3.54Å; F127-I244 HydrophobicContact CE1-CG2 4.35Å; F127-I244 HydrophobicContact CZ-CG2 4.4Å; N217-I244 HydrophobicContact CB-CD1 4.16Å; N217-I244 HydrophobicContact CB-CG1 4.38Å; N217-I244 PolarHBondContact OD1-N 2.97Å; A222-I244 HydrophobicContact CB-CG2 3.81Å; I244-D246 PolarHBondContact O-N 3.47Å; I244-F247 PolarHBondContact O-N 3.1Å; I244-V248 HydrophobicContact CG2-CG2 4.33Å; I244-V248 WeakPolarHBondContact O-CG2 3.49Å; I244-V248 PolarHBondContact O-N 2.94Å |
| 245 | A | 93.7 | Very high | 89.1 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -53.4 | -38.3 | 173 | 0 | 0 | 0 | 0 | 0 | 112.5 | F216 I225 T243 F247 V248 A249 | F216-A245 HydrophobicContact CB-CB 4Å; F216-A245 HydrophobicContact CD1-CB 4.3Å; F216-A245 WeakPolarHBondContact O-CB 3.09Å; F216-A245 PolarHBondContact O-N 2.89Å; F216-A245 VanDerWaalsContact O-N 3.09Å; I225-A245 HydrophobicContact CD1-CB 3.61Å; T243-A245 VanDerWaalsContact C-N 3.29Å; T243-A245 PolarHBondContact O-N 3.4Å; A245-F247 VanDerWaalsContact C-N 3.33Å; A245-F247 PolarHBondContact O-N 3.42Å; A245-V248 PolarHBondContact O-N 3.27Å; A245-A249 VanDerWaalsContact O-CB 3.23Å; A245-A249 WeakPolarHBondContact O-CB 3.13Å; A245-A249 PolarHBondContact O-N 3.32Å |
| 246 | D | 93.5 | Very high | 89.1 | Confident | 4 Ų | 4 | 38.2 Ų | 38.2 | 2% | 0.021 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -65.1 | -33.8 | 178.2 | -63.7 | -52.9 | 0 | 0 | 0 | 113.6 | S234 V242 T243 I244 R252 | S234-D246 WeakPolarHBondContact CB-OD1 3.35Å; S234-D246 PolarHBondContact OG-OD1 3.26Å; V242-D246 HydrophobicContact CG1-CB 4.24Å; T243-D246 PolarHBondContact N-OD2 2.59Å; T243-D246 WeakPolarHBondContact O-CB 3.4Å; T243-D246 PolarHBondContact O-N 3Å; T243-D246 VanDerWaalsContact OG1-CG 3.31Å; T243-D246 PolarHBondContact OG1-N 2.87Å; T243-D246 PolarHBondContact OG1-OD2 3.27Å; I244-D246 PolarHBondContact O-N 3.47Å; D246-R252 HydrophobicContact CB-CB 4.36Å; D246-R252 HydrophobicContact CB-CG 3.87Å |
| 247 | F | 93.4 | Very high | 89.2 | Confident | 60 Ų | 60 | 40.1 Ų | 40.1 | 26% | 0.263 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -74.5 | -38.3 | 178.2 | -70.2 | -69.9 | 0 | 0 | 0 | 112 | K118 F127 K132 V242 T243 I244 A245 | K118-F247 HydrophobicContact CD-CE2 4.42Å; F127-F247 HydrophobicContact CD1-CB 3.54Å; F127-F247 HydrophobicContact CD2-CB 4.25Å; F127-F247 HydrophobicContact CE1-CB 3.67Å; F127-F247 HydrophobicContact CE2-CB 4.33Å; F127-F247 HydrophobicContact CG-CB 3.88Å; F127-F247 HydrophobicContact CZ-CB 4.07Å; K132-F247 PolarHBondContact NZ-O 3.44Å; V242-F247 HydrophobicContact CB-CE2 4.45Å; V242-F247 HydrophobicContact CB-CZ 4.49Å; V242-F247 HydrophobicContact CG1-CD2 4.21Å; V242-F247 HydrophobicContact CG1-CE1 4.21Å; V242-F247 HydrophobicContact CG1-CE2 3.43Å; V242-F247 VanDerWaalsContact CG1-CE2 3.43Å; V242-F247 HydrophobicContact CG1-CZ 3.43Å; V242-F247 VanDerWaalsContact CG1-CZ 3.43Å; T243-F247 VanDerWaalsContact O-CD2 3.24Å; T243-F247 WeakPolarHBondContact O-CD2 3.37Å; I244-F247 PolarHBondContact O-N 3.1Å; A245-F247 VanDerWaalsContact C-N 3.33Å; A245-F247 PolarHBondContact O-N 3.42Å |
| 248 | V | 94.5 | Very high | 89.7 | Confident | 5 Ų | 5 | 41.1 Ų | 41.1 | 3% | 0.03 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -78.9 | -32 | -178.5 | -174.1 | 0 | 0 | 0 | 0 | 112.5 | F127 A222 I225 F226 I244 A245 | F127-V248 HydrophobicContact CD1-CG2 3.78Å; F127-V248 HydrophobicContact CE1-CG2 3.5Å; F127-V248 VanDerWaalsContact CE1-CG2 3.5Å; A222-V248 HydrophobicContact CB-CG2 4.01Å; A222-V248 WeakPolarHBondContact O-CG1 3.43Å; I225-V248 HydrophobicContact CB-CG1 4.19Å; I225-V248 HydrophobicContact CG2-CB 4.31Å; I225-V248 HydrophobicContact CG2-CG1 3.99Å; F226-V248 HydrophobicContact CB-CG1 3.59Å; F226-V248 HydrophobicContact CD2-CG1 4.13Å; F226-V248 HydrophobicContact CG-CG1 4.36Å; I244-V248 HydrophobicContact CG2-CG2 4.33Å; I244-V248 WeakPolarHBondContact O-CG2 3.49Å; I244-V248 PolarHBondContact O-N 2.94Å; A245-V248 PolarHBondContact O-N 3.27Å |
| 249 | A | 95.4 | Very high | 90.2 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 20% | 0.197 | C | C | . | . | S | Bend | trans | -58.7 | 149.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | K132 I225 A245 L251 | K132-A249 WeakPolarHBondContact CE-O 3.26Å; K132-A249 PolarHBondContact NZ-O 2.71Å; I225-A249 HydrophobicContact CG2-CB 4.24Å; A245-A249 VanDerWaalsContact O-CB 3.23Å; A245-A249 WeakPolarHBondContact O-CB 3.13Å; A245-A249 PolarHBondContact O-N 3.32Å; A249-L251 PolarHBondContact O-N 3.12Å |
| 250 | D | 95.3 | Very high | 91.2 | Very high | 22 Ų | 22 | 29.1 Ų | 29.1 | 12% | 0.118 | 16% | 0.163 | C | C | . | . | S | Bend | trans | -63.5 | -32.5 | 178.1 | -60.2 | -63.2 | 0 | 0 | 0 | 111.3 | K132 K133 P231 V232 | K132-D250 WeakPolarHBondContact CA-OD1 3.37Å; K133-D250 PolarHBondContact N-OD1 3.04Å; P231-D250 WeakPolarHBondContact CA-OD2 3.49Å; V232-D250 PolarHBondContact N-OD2 2.93Å; V232-D250 PolarHBondContact O-N 2.92Å |
| 251 | L | 93.4 | Very high | 91.9 | Very high | 58 Ų | 58 | 26.8 Ų | 26.8 | 30% | 0.304 | 14% | 0.144 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 137 | 169.9 | -173.4 | 76.3 | 0 | 0 | 0 | 111.5 | L135 V232 V233 S234 A249 V262 | L135-L251 HydrophobicContact CD1-CB 3.78Å; L135-L251 HydrophobicContact CD1-CD2 3.41Å; L135-L251 VanDerWaalsContact CD1-CD2 3.41Å; L135-L251 HydrophobicContact CD1-CG 4.13Å; V232-L251 PolarHBondContact O-N 3.37Å; V233-L251 CarbonylContact C-O 3.59Å; V233-L251 VanDerWaalsContact CA-O 3.3Å; V233-L251 WeakPolarHBondContact CA-O 3.33Å; V233-L251 HydrophobicContact CG1-CD2 4.43Å; V233-L251 HydrophobicContact CG2-CB 4.36Å; S234-L251 PolarHBondContact N-O 2.97Å; A249-L251 PolarHBondContact O-N 3.12Å; L251-V262 HydrophobicContact CD2-CB 4.28Å; L251-V262 HydrophobicContact CD2-CG1 3.53Å; L251-V262 HydrophobicContact CD2-CG2 4.35Å |
| 252 | R | 93.4 | Very high | 92.5 | Very high | 91 Ų | 91 | 28.5 Ų | 28.5 | 34% | 0.343 | 16% | 0.156 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 125.8 | 165.6 | -179.3 | -172.6 | -178.8 | -125.5 | -2.5 | 110.2 | E239 D246 | E239-R252 PolarHBondContact O-NH2 2.87Å; D246-R252 HydrophobicContact CB-CB 4.36Å; D246-R252 HydrophobicContact CB-CG 3.87Å |
| 253 | A | 93 | Very high | 92.7 | Very high | 3 Ų | 3 | 26.5 Ų | 26.5 | 3% | 0.025 | 14% | 0.143 | C | C | . | . | trans | -107.5 | 135.3 | 165.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | V233 S234 A235 T255 A258 A259 | V233-A253 HydrophobicContact CG1-CB 3.87Å; S234-A253 PolarHBondContact O-N 2.84Å; A235-A253 HydrophobicContact CB-CB 4.41Å; A253-T255 PolarHBondContact O-N 3.11Å; A253-A258 HydrophobicContact CB-CB 4.39Å; A253-A259 HydrophobicContact CB-CB 3.61Å | ||
| 254 | P | 90.2 | Very high | 92.6 | Very high | 42 Ų | 42 | 27 Ų | 27 | 27% | 0.273 | 15% | 0.147 | S | C | . | . | S | Bend | trans | -69 | -20.1 | -174.6 | 27 | -35.7 | 0 | 0 | 0 | 113.9 | H238 E239 A258 | H238-P254 CarbonylContact C-O 3.55Å; H238-P254 WeakPolarHBondContact CA-O 3.17Å; E239-P254 HydrophobicContact CG-CB 3.76Å; P254-A258 HydrophobicContact CG-CB 3.86Å |
| 255 | T | 90.7 | Very high | 92.2 | Very high | 42 Ų | 42 | 30.3 Ų | 30.3 | 26% | 0.258 | 16% | 0.159 | S | C | . | . | S | Bend | trans | -148.5 | 158.4 | 178.5 | 59.8 | 0 | 0 | 0 | 0 | 110.5 | A253 S257 A258 A259 | A253-T255 PolarHBondContact O-N 3.11Å; T255-S257 PolarHBondContact O-N 3.03Å; T255-A258 PolarHBondContact O-N 3.27Å; T255-A258 VanDerWaalsContact O-N 3.08Å; T255-A258 WeakPolarHBondContact OG1-CB 3.45Å; T255-A258 PolarHBondContact OG1-N 2.9Å; T255-A258 VanDerWaalsContact OG1-N 3.12Å; T255-A259 PolarHBondContact O-N 2.7Å |
| 256 | P | 92.1 | Very high | 91.7 | Very high | 6 Ų | 6 | 32.8 Ų | 32.8 | 4% | 0.039 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -51.9 | -40.8 | 170.1 | -28.7 | 35.8 | 0 | 0 | 0 | 113.4 | A152 I156 A259 A260 | A152-P256 HydrophobicContact CB-CB 3.97Å; A152-P256 HydrophobicContact CB-CG 3.69Å; I156-P256 HydrophobicContact CD1-CB 3.95Å; I156-P256 HydrophobicContact CG1-CB 3.79Å; I156-P256 WeakPolarHBondContact CG1-O 3.36Å; P256-A259 WeakPolarHBondContact O-CB 3.35Å; P256-A259 PolarHBondContact O-N 3.3Å; P256-A260 PolarHBondContact O-N 2.91Å; P256-A260 VanDerWaalsContact O-N 3.13Å |
| 257 | S | 92.4 | Very high | 91.1 | Very high | 40 Ų | 40 | 36.3 Ų | 36.3 | 28% | 0.28 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -61.1 | -46.2 | 175.2 | -72.4 | 0 | 0 | 0 | 0 | 112.2 | T255 A259 A260 E261 | T255-S257 PolarHBondContact O-N 3.03Å; S257-A259 VanDerWaalsContact C-N 3.31Å; S257-A259 PolarHBondContact O-N 3.24Å; S257-A260 WeakPolarHBondContact O-CB 3.19Å; S257-A260 PolarHBondContact O-N 3.29Å; S257-E261 WeakPolarHBondContact O-CG 3.33Å; S257-E261 PolarHBondContact O-N 3.25Å |
| 258 | A | 92.8 | Very high | 90.7 | Very high | 22 Ų | 22 | 39.5 Ų | 39.5 | 18% | 0.182 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -64.2 | -37.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | A253 P254 T255 A260 E261 V262 | A253-A258 HydrophobicContact CB-CB 4.39Å; P254-A258 HydrophobicContact CG-CB 3.86Å; T255-A258 PolarHBondContact O-N 3.27Å; T255-A258 VanDerWaalsContact O-N 3.08Å; T255-A258 WeakPolarHBondContact OG1-CB 3.45Å; T255-A258 PolarHBondContact OG1-N 2.9Å; T255-A258 VanDerWaalsContact OG1-N 3.12Å; A258-A260 VanDerWaalsContact C-N 3.32Å; A258-A260 PolarHBondContact O-N 3.23Å; A258-E261 PolarHBondContact O-N 2.8Å; A258-E261 VanDerWaalsContact O-N 3.16Å; A258-V262 WeakPolarHBondContact O-CG2 3.45Å; A258-V262 PolarHBondContact O-N 3.04Å; A258-V262 VanDerWaalsContact O-N 3.08Å |
| 259 | A | 93 | Very high | 90.2 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -59.9 | -45 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | I202 V233 A235 A253 T255 P256 S257 E261 V262 V263 | I202-A259 HydrophobicContact CD1-CB 4.06Å; I202-A259 HydrophobicContact CG1-CB 4.34Å; I202-A259 HydrophobicContact CG2-CB 3.87Å; V233-A259 HydrophobicContact CG1-CB 3.86Å; A235-A259 HydrophobicContact CB-CB 3.52Å; A253-A259 HydrophobicContact CB-CB 3.61Å; T255-A259 PolarHBondContact O-N 2.7Å; P256-A259 WeakPolarHBondContact O-CB 3.35Å; P256-A259 PolarHBondContact O-N 3.3Å; S257-A259 VanDerWaalsContact C-N 3.31Å; S257-A259 PolarHBondContact O-N 3.24Å; A259-E261 VanDerWaalsContact C-N 3.31Å; A259-E261 PolarHBondContact O-N 3.13Å; A259-V262 PolarHBondContact O-N 2.88Å; A259-V263 PolarHBondContact O-N 3.49Å |
| 260 | A | 92.7 | Very high | 89.8 | Confident | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -60.9 | -38.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | I156 V159 L160 P256 S257 A258 S264 | I156-A260 HydrophobicContact CB-CB 4.39Å; I156-A260 HydrophobicContact CG1-CB 4.46Å; I156-A260 HydrophobicContact CG2-CB 4.15Å; V159-A260 HydrophobicContact CB-CB 3.74Å; V159-A260 HydrophobicContact CG1-CB 3.59Å; L160-A260 HydrophobicContact CD2-CB 3.94Å; L160-A260 WeakPolarHBondContact CD2-O 3.45Å; L160-A260 HydrophobicContact CG-CB 3.96Å; P256-A260 PolarHBondContact O-N 2.91Å; P256-A260 VanDerWaalsContact O-N 3.13Å; S257-A260 WeakPolarHBondContact O-CB 3.19Å; S257-A260 PolarHBondContact O-N 3.29Å; A258-A260 VanDerWaalsContact C-N 3.32Å; A258-A260 PolarHBondContact O-N 3.23Å; A260-S264 WeakPolarHBondContact O-CB 3.46Å; A260-S264 PolarHBondContact O-N 3.06Å; A260-S264 VanDerWaalsContact O-N 3.13Å; A260-S264 PolarHBondContact O-OG 2.8Å; A260-S264 VanDerWaalsContact O-OG 3.13Å |
| 261 | E | 91.7 | Very high | 89.5 | Confident | 71 Ų | 71 | 49.6 Ų | 49.6 | 33% | 0.332 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -64.4 | -41.4 | 177.5 | -62.8 | -151 | 136.9 | 0 | 0 | 112.8 | V159 R162 R163 S257 A258 A259 S264 | V159-E261 HydrophobicContact CG1-CG 3.61Å; R162-E261 IonicContact NH2-OE1 2.99Å; R162-E261 PolarHBondContact NH2-OE1 2.96Å; R163-E261 IonicContact CZ-OE1 2.72Å; R163-E261 IonicContact NH1-OE1 2.9Å; R163-E261 PolarHBondContact NH1-OE1 3.21Å; R163-E261 IonicContact NH1-OE2 3.28Å; R163-E261 PolarHBondContact NH1-OE2 2.98Å; S257-E261 WeakPolarHBondContact O-CG 3.33Å; S257-E261 PolarHBondContact O-N 3.25Å; A258-E261 PolarHBondContact O-N 2.8Å; A258-E261 VanDerWaalsContact O-N 3.16Å; A259-E261 VanDerWaalsContact C-N 3.31Å; A259-E261 PolarHBondContact O-N 3.13Å; E261-S264 PolarHBondContact O-N 2.98Å; E261-S264 PolarHBondContact O-OG 3.44Å |
| 262 | V | 90.7 | Very high | 89.3 | Confident | 81 Ų | 81 | 53.8 Ų | 53.8 | 49% | 0.491 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -69 | -37.5 | -177 | 176.2 | 0 | 0 | 0 | 0 | 112.2 | L135 L251 A258 A259 | L135-V262 HydrophobicContact CD1-CG1 3.99Å; L251-V262 HydrophobicContact CD2-CB 4.28Å; L251-V262 HydrophobicContact CD2-CG1 3.53Å; L251-V262 HydrophobicContact CD2-CG2 4.35Å; A258-V262 WeakPolarHBondContact O-CG2 3.45Å; A258-V262 PolarHBondContact O-N 3.04Å; A258-V262 VanDerWaalsContact O-N 3.08Å; A259-V262 PolarHBondContact O-N 2.88Å |
| 263 | V | 91.1 | Very high | 89.2 | Confident | 6 Ų | 6 | 54 Ų | 54 | 4% | 0.036 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -82.4 | -21.2 | 179.5 | -56.7 | 0 | 0 | 0 | 0 | 113.3 | V142 L160 V200 I202 V233 A259 | V142-V263 HydrophobicContact CG1-CG2 4.32Å; V142-V263 HydrophobicContact CG2-CB 4.12Å; V142-V263 HydrophobicContact CG2-CG2 3.73Å; L160-V263 HydrophobicContact CD2-CG2 4.08Å; V200-V263 HydrophobicContact CG1-CB 4.05Å; V200-V263 HydrophobicContact CG1-CG1 3.83Å; V200-V263 HydrophobicContact CG2-CG1 3.89Å; I202-V263 HydrophobicContact CD1-CG1 4.41Å; I202-V263 HydrophobicContact CD1-CG2 3.9Å; I202-V263 HydrophobicContact CG1-CG1 4.44Å; V233-V263 HydrophobicContact CG2-CG1 4.12Å; A259-V263 PolarHBondContact O-N 3.49Å |
| 264 | S | 89 | Confident | 89.3 | Confident | 13 Ų | 13 | 58.7 Ų | 58.7 | 9% | 0.091 | 30% | 0.3 | C | S | . | . | S | Bend | trans | -79.5 | 145.5 | -176.7 | 68.3 | 0 | 0 | 0 | 0 | 113.3 | R163 A260 E261 | R163-S264 PolarHBondContact NE-OG 2.82Å; A260-S264 WeakPolarHBondContact O-CB 3.46Å; A260-S264 PolarHBondContact O-N 3.06Å; A260-S264 VanDerWaalsContact O-N 3.13Å; A260-S264 PolarHBondContact O-OG 2.8Å; A260-S264 VanDerWaalsContact O-OG 3.13Å; E261-S264 PolarHBondContact O-N 2.98Å; E261-S264 PolarHBondContact O-OG 3.44Å |
| 265 | R | 84.5 | Confident | 89.5 | Confident | 70 Ų | 70 | 62 Ų | 62 | 26% | 0.264 | 31% | 0.312 | S | S | . | . | trans | -63.8 | 145.5 | 158.2 | -71.8 | 167.4 | -74.9 | -169.7 | 4.1 | 109.2 | P138 R163 D164 S166 Q267 L270 | P138-R265 VanDerWaalsContact CB-CD 3.49Å; P138-R265 HydrophobicContact CB-CG 3.2Å; P138-R265 HydrophobicContact CG-CG 4.01Å; R163-R265 CarbonylContact C-O 3.6Å; R163-R265 VanDerWaalsContact C-O 3.32Å; D164-R265 HydrophobicContact CB-CB 4.21Å; D164-R265 IonicContact OD1-CZ 3.21Å; D164-R265 IonicContact OD1-NE 2.98Å; D164-R265 IonicContact OD1-NH2 3.49Å; D164-R265 PolarHBondContact OD1-NH2 3.46Å; D164-R265 VanDerWaalsContact OD1-NH2 3.12Å; D164-R265 WeakPolarHBondContact OD2-CB 3.16Å; D164-R265 IonicContact OD2-CZ 3.87Å; D164-R265 PolarHBondContact OD2-N 2.9Å; D164-R265 IonicContact OD2-NE 3.08Å; D164-R265 PolarHBondContact OD2-NE 3.33Å; D164-R265 IonicContact OD2-NH2 3.75Å; D164-R265 PolarHBondContact OD2-NH2 2.7Å; S166-R265 PolarHBondContact OG-NH2 3.28Å; R265-Q267 PolarHBondContact O-N 2.77Å; R265-L270 HydrophobicContact CB-CD1 4.2Å; R265-L270 HydrophobicContact CG-CD1 4.46Å | ||
| 266 | N | 83 | Confident | 89.7 | Confident | 52 Ų | 52 | 62.4 Ų | 62.4 | 28% | 0.278 | 32% | 0.317 | S | S | . | . | trans | -87.2 | 86.6 | 164.2 | -171.3 | -18 | 0 | 0 | 0 | 108.5 | Q268 E269 L270 | N266-Q268 PolarHBondContact O-N 3.14Å; N266-Q268 PolarHBondContact OD1-N 2.97Å; N266-E269 HydrophobicContact CB-CB 3.75Å; N266-E269 VanDerWaalsContact CG-CB 3.47Å; N266-E269 WeakPolarHBondContact O-CA 3.21Å; N266-E269 WeakPolarHBondContact O-CB 3.22Å; N266-E269 PolarHBondContact O-N 3.38Å; N266-E269 PolarHBondContact OD1-N 3.2Å; N266-E269 VanDerWaalsContact OD1-N 3.11Å; N266-L270 PolarHBondContact O-N 3.3Å | ||
| 267 | Q | 81.6 | Confident | 89.9 | Confident | 78 Ų | 78 | 64 Ų | 64 | 36% | 0.364 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -59.3 | -34.4 | -176.8 | -170.1 | -174.4 | 17.6 | 0 | 0 | 112.2 | R163 R265 E269 L270 L271 | R163-Q267 WeakPolarHBondContact O-CB 3.33Å; R163-Q267 PolarHBondContact O-N 3.31Å; R265-Q267 PolarHBondContact O-N 2.77Å; Q267-E269 VanDerWaalsContact C-N 3.34Å; Q267-L270 PolarHBondContact O-N 3.35Å; Q267-L271 HydrophobicContact CG-CD1 4.45Å; Q267-L271 WeakPolarHBondContact O-CB 3.38Å; Q267-L271 WeakPolarHBondContact O-CG 3.35Å; Q267-L271 PolarHBondContact O-N 3.38Å |
| 268 | Q | 83.4 | Confident | 90.2 | Very high | 128 Ų | 128 | 68.9 Ų | 68.9 | 60% | 0.598 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -64.3 | -40.3 | 175.2 | -66.7 | -178.1 | -13.3 | 0 | 0 | 111.5 | N266 L271 R272 | N266-Q268 PolarHBondContact O-N 3.14Å; N266-Q268 PolarHBondContact OD1-N 2.97Å; Q268-L271 PolarHBondContact O-N 3.31Å; Q268-R272 WeakPolarHBondContact O-CG 3.24Å; Q268-R272 PolarHBondContact O-N 2.93Å |
| 269 | E | 85.6 | Confident | 90.3 | Very high | 63 Ų | 63 | 73 Ų | 73 | 29% | 0.294 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -62.9 | -46.1 | 173 | 180 | 57 | -157.7 | 0 | 0 | 111.7 | N266 Q267 L271 R272 Q273 | N266-E269 HydrophobicContact CB-CB 3.75Å; N266-E269 VanDerWaalsContact CG-CB 3.47Å; N266-E269 WeakPolarHBondContact O-CA 3.21Å; N266-E269 WeakPolarHBondContact O-CB 3.22Å; N266-E269 PolarHBondContact O-N 3.38Å; N266-E269 PolarHBondContact OD1-N 3.2Å; N266-E269 VanDerWaalsContact OD1-N 3.11Å; Q267-E269 VanDerWaalsContact C-N 3.34Å; E269-L271 VanDerWaalsContact C-N 3.33Å; E269-L271 PolarHBondContact O-N 3.5Å; E269-R272 WeakPolarHBondContact O-CB 3.45Å; E269-R272 PolarHBondContact O-N 2.9Å; E269-R272 IonicContact OE2-CZ 3.93Å; E269-R272 IonicContact OE2-NE 2.67Å; E269-R272 PolarHBondContact OE2-NE 3.05Å; E269-R272 IonicContact OE2-NH2 3.38Å; E269-R272 PolarHBondContact OE2-NH2 3.43Å; E269-Q273 WeakPolarHBondContact O-CG 3.38Å; E269-Q273 PolarHBondContact O-N 3.16Å; E269-Q273 PolarHBondContact OE1-NE2 3Å |
| 270 | L | 85.4 | Confident | 90.4 | Very high | 81 Ų | 81 | 80.6 Ų | 80.6 | 42% | 0.424 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -59.3 | -43.6 | 176.3 | -69.5 | 171.3 | 0 | 0 | 0 | 111.8 | R265 N266 Q267 Q273 V274 | R265-L270 HydrophobicContact CB-CD1 4.2Å; R265-L270 HydrophobicContact CG-CD1 4.46Å; N266-L270 PolarHBondContact O-N 3.3Å; Q267-L270 PolarHBondContact O-N 3.35Å; L270-Q273 PolarHBondContact O-N 2.85Å; L270-V274 WeakPolarHBondContact O-CG2 3.21Å; L270-V274 PolarHBondContact O-N 3.45Å |
| 271 | L | 89 | Confident | 90.6 | Very high | 94 Ų | 94 | 85.7 Ų | 85.7 | 49% | 0.492 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -62.6 | -42.5 | 175.7 | -75.8 | 170.9 | 0 | 0 | 0 | 112.1 | Q267 Q268 E269 Q273 V274 Q275 | Q267-L271 HydrophobicContact CG-CD1 4.45Å; Q267-L271 WeakPolarHBondContact O-CB 3.38Å; Q267-L271 WeakPolarHBondContact O-CG 3.35Å; Q267-L271 PolarHBondContact O-N 3.38Å; Q268-L271 PolarHBondContact O-N 3.31Å; E269-L271 VanDerWaalsContact C-N 3.33Å; E269-L271 PolarHBondContact O-N 3.5Å; L271-Q273 VanDerWaalsContact C-N 3.33Å; L271-Q273 PolarHBondContact O-N 3.44Å; L271-V274 PolarHBondContact O-N 2.92Å; L271-Q275 WeakPolarHBondContact O-CB 3.35Å; L271-Q275 VanDerWaalsContact O-CG 3.28Å; L271-Q275 WeakPolarHBondContact O-CG 3.29Å; L271-Q275 PolarHBondContact O-N 3.23Å |
| 272 | R | 90.7 | Very high | 90.9 | Very high | 147 Ų | 147 | 86.1 Ų | 86.1 | 56% | 0.555 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -61.7 | -41.7 | 174.5 | -74.9 | -171.2 | -63.8 | 170.4 | -5.8 | 111.7 | Q268 E269 Q275 S276 | Q268-R272 WeakPolarHBondContact O-CG 3.24Å; Q268-R272 PolarHBondContact O-N 2.93Å; E269-R272 WeakPolarHBondContact O-CB 3.45Å; E269-R272 PolarHBondContact O-N 2.9Å; E269-R272 IonicContact OE2-CZ 3.93Å; E269-R272 IonicContact OE2-NE 2.67Å; E269-R272 PolarHBondContact OE2-NE 3.05Å; E269-R272 IonicContact OE2-NH2 3.38Å; E269-R272 PolarHBondContact OE2-NH2 3.43Å; R272-Q275 PolarHBondContact O-N 2.8Å; R272-S276 WeakPolarHBondContact O-CB 3.42Å; R272-S276 PolarHBondContact O-N 2.78Å; R272-S276 PolarHBondContact O-OG 3.24Å |
| 273 | Q | 91.6 | Very high | 91.2 | Very high | 96 Ų | 96 | 88.1 Ų | 88.1 | 45% | 0.449 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -62.5 | -45.3 | 176.2 | -71.9 | 176.4 | 8.8 | 0 | 0 | 111.5 | E269 L270 L271 S276 A277 | E269-Q273 WeakPolarHBondContact O-CG 3.38Å; E269-Q273 PolarHBondContact O-N 3.16Å; E269-Q273 PolarHBondContact OE1-NE2 3Å; L270-Q273 PolarHBondContact O-N 2.85Å; L271-Q273 VanDerWaalsContact C-N 3.33Å; L271-Q273 PolarHBondContact O-N 3.44Å; Q273-S276 PolarHBondContact O-N 3.13Å; Q273-S276 PolarHBondContact O-OG 3.24Å; Q273-A277 WeakPolarHBondContact O-CB 3.39Å; Q273-A277 PolarHBondContact O-N 3.13Å |
| 274 | V | 93.9 | Very high | 91.4 | Very high | 100 Ų | 100 | 90.6 Ų | 90.6 | 61% | 0.606 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -62.2 | -44.7 | 175.2 | 172.6 | 0 | 0 | 0 | 0 | 111.5 | L270 L271 A277 R278 | L270-V274 WeakPolarHBondContact O-CG2 3.21Å; L270-V274 PolarHBondContact O-N 3.45Å; L271-V274 PolarHBondContact O-N 2.92Å; V274-A277 PolarHBondContact O-N 3.47Å; V274-R278 PolarHBondContact O-N 3.31Å |
| 275 | Q | 95.2 | Very high | 91.8 | Very high | 111 Ų | 111 | 95 Ų | 95 | 52% | 0.519 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -63 | -43.7 | 178 | -74.2 | 174.4 | -4.8 | 0 | 0 | 112.1 | L271 R272 A277 R278 Q279 | L271-Q275 WeakPolarHBondContact O-CB 3.35Å; L271-Q275 VanDerWaalsContact O-CG 3.28Å; L271-Q275 WeakPolarHBondContact O-CG 3.29Å; L271-Q275 PolarHBondContact O-N 3.23Å; R272-Q275 PolarHBondContact O-N 2.8Å; Q275-A277 VanDerWaalsContact C-N 3.35Å; Q275-R278 WeakPolarHBondContact O-CB 3.42Å; Q275-R278 PolarHBondContact O-N 2.86Å; Q275-Q279 WeakPolarHBondContact O-CG 3.32Å; Q275-Q279 PolarHBondContact O-N 2.88Å |
| 276 | S | 95.3 | Very high | 92.4 | Very high | 51 Ų | 51 | 96.9 Ų | 96.9 | 36% | 0.357 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -65.6 | -37.3 | 176.3 | 72.4 | 0 | 0 | 0 | 0 | 112.2 | R272 Q273 Q279 R280 | R272-S276 WeakPolarHBondContact O-CB 3.42Å; R272-S276 PolarHBondContact O-N 2.78Å; R272-S276 PolarHBondContact O-OG 3.24Å; Q273-S276 PolarHBondContact O-N 3.13Å; Q273-S276 PolarHBondContact O-OG 3.24Å; S276-Q279 PolarHBondContact O-N 2.85Å; S276-R280 WeakPolarHBondContact O-CG 3.33Å; S276-R280 PolarHBondContact O-N 2.92Å |
| 277 | A | 96 | Very high | 93 | Very high | 41 Ų | 41 | 102.1 Ų | 102.1 | 34% | 0.339 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -64.3 | -42.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q273 V274 Q275 R280 L281 | Q273-A277 WeakPolarHBondContact O-CB 3.39Å; Q273-A277 PolarHBondContact O-N 3.13Å; V274-A277 PolarHBondContact O-N 3.47Å; Q275-A277 VanDerWaalsContact C-N 3.35Å; A277-R280 PolarHBondContact O-N 3.28Å; A277-L281 PolarHBondContact O-N 3.49Å |
| 278 | R | 97.2 | Very high | 93.8 | Very high | 141 Ų | 141 | 104.5 Ų | 104.5 | 53% | 0.532 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -60.1 | -49.6 | 174 | -173.2 | -174.9 | 74.9 | 109.3 | -7.5 | 112 | V274 Q275 R280 L281 E282 | V274-R278 PolarHBondContact O-N 3.31Å; Q275-R278 WeakPolarHBondContact O-CB 3.42Å; Q275-R278 PolarHBondContact O-N 2.86Å; R278-R280 VanDerWaalsContact C-N 3.33Å; R278-R280 PolarHBondContact O-N 2.86Å; R278-L281 WeakPolarHBondContact O-CB 3.46Å; R278-L281 PolarHBondContact O-N 3.12Å; R278-L281 VanDerWaalsContact O-N 3.14Å; R278-E282 IonicContact CZ-OE1 3.81Å; R278-E282 IonicContact NE-OE1 3.92Å; R278-E282 IonicContact NH1-OE1 2.92Å; R278-E282 PolarHBondContact NH1-OE1 3.43Å; R278-E282 IonicContact NH1-OE2 3.56Å; R278-E282 WeakPolarHBondContact O-CG 3.43Å; R278-E282 PolarHBondContact O-N 3.1Å |
| 279 | Q | 95.9 | Very high | 94.4 | Very high | 108 Ų | 108 | 103 Ų | 103 | 51% | 0.505 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -60.4 | -41.4 | 178.6 | -74.3 | 175.3 | -22.9 | 0 | 0 | 112.1 | Q275 S276 L281 E282 M283 | Q275-Q279 WeakPolarHBondContact O-CG 3.32Å; Q275-Q279 PolarHBondContact O-N 2.88Å; S276-Q279 PolarHBondContact O-N 2.85Å; Q279-L281 VanDerWaalsContact C-N 3.34Å; Q279-L281 PolarHBondContact O-N 2.93Å; Q279-E282 PolarHBondContact O-N 3.44Å; Q279-M283 WeakPolarHBondContact O-CE 3.3Å; Q279-M283 WeakPolarHBondContact O-CG 3.22Å; Q279-M283 PolarHBondContact O-N 3.49Å |
| 280 | R | 95.6 | Very high | 95 | Very high | 160 Ų | 160 | 102.7 Ų | 102.7 | 60% | 0.604 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -63.2 | -39.8 | 175 | -74.6 | -173.5 | -61.1 | 123.3 | -2.9 | 112.3 | S276 A277 R278 M283 A284 | S276-R280 WeakPolarHBondContact O-CG 3.33Å; S276-R280 PolarHBondContact O-N 2.92Å; A277-R280 PolarHBondContact O-N 3.28Å; R278-R280 VanDerWaalsContact C-N 3.33Å; R278-R280 PolarHBondContact O-N 2.86Å; R280-M283 HydrophobicContact CG-CE 4.31Å; R280-A284 WeakPolarHBondContact O-CB 3.33Å; R280-A284 PolarHBondContact O-N 3.08Å |
| 281 | L | 96.9 | Very high | 95.5 | Very high | 108 Ų | 108 | 101.9 Ų | 101.9 | 57% | 0.565 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -64.3 | -46.3 | 176 | -179.4 | 66.2 | 0 | 0 | 0 | 111.4 | A277 R278 Q279 A284 M285 | A277-L281 PolarHBondContact O-N 3.49Å; R278-L281 WeakPolarHBondContact O-CB 3.46Å; R278-L281 PolarHBondContact O-N 3.12Å; R278-L281 VanDerWaalsContact O-N 3.14Å; Q279-L281 VanDerWaalsContact C-N 3.34Å; Q279-L281 PolarHBondContact O-N 2.93Å; L281-A284 PolarHBondContact O-N 2.91Å; L281-M285 HydrophobicContact CD1-CG 4.46Å; L281-M285 HydrophobicContact CD1-SD 4.47Å; L281-M285 HydrophobicContact CG-SD 4.23Å; L281-M285 WeakPolarHBondContact O-CG 3.23Å; L281-M285 PolarHBondContact O-N 3.49Å |
| 282 | E | 97.4 | Very high | 95.9 | Very high | 80 Ų | 80 | 103.2 Ų | 103.2 | 37% | 0.374 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -57.6 | -50.7 | 177.5 | -73.2 | 169.8 | 179.2 | 0 | 0 | 111.1 | R278 Q279 A284 M285 D286 | R278-E282 IonicContact CZ-OE1 3.81Å; R278-E282 IonicContact NE-OE1 3.92Å; R278-E282 IonicContact NH1-OE1 2.92Å; R278-E282 PolarHBondContact NH1-OE1 3.43Å; R278-E282 IonicContact NH1-OE2 3.56Å; R278-E282 WeakPolarHBondContact O-CG 3.43Å; R278-E282 PolarHBondContact O-N 3.1Å; Q279-E282 PolarHBondContact O-N 3.44Å; E282-A284 VanDerWaalsContact C-N 3.32Å; E282-A284 PolarHBondContact O-N 3.28Å; E282-M285 PolarHBondContact O-N 3.02Å; E282-M285 VanDerWaalsContact O-N 3.16Å; E282-D286 PolarHBondContact O-N 2.91Å |
| 283 | M | 96.1 | Very high | 96.1 | Very high | 122 Ų | 122 | 100.2 Ų | 100.2 | 60% | 0.601 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -60 | -39.8 | 176.4 | -71 | -174.6 | -71.6 | 0 | 0 | 113 | Q279 R280 Y287 | Q279-M283 WeakPolarHBondContact O-CE 3.3Å; Q279-M283 WeakPolarHBondContact O-CG 3.22Å; Q279-M283 PolarHBondContact O-N 3.49Å; R280-M283 HydrophobicContact CG-CE 4.31Å; M283-Y287 WeakPolarHBondContact O-CB 3.42Å; M283-Y287 PolarHBondContact O-N 3.44Å |
| 284 | A | 97.1 | Very high | 96.3 | Very high | 58 Ų | 58 | 103.6 Ų | 103.6 | 48% | 0.479 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -66.7 | -38.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | R280 L281 E282 Y288 | R280-A284 WeakPolarHBondContact O-CB 3.33Å; R280-A284 PolarHBondContact O-N 3.08Å; L281-A284 PolarHBondContact O-N 2.91Å; E282-A284 VanDerWaalsContact C-N 3.32Å; E282-A284 PolarHBondContact O-N 3.28Å; A284-Y288 VanDerWaalsContact O-CB 3.31Å; A284-Y288 WeakPolarHBondContact O-CB 3.48Å; A284-Y288 PolarHBondContact O-N 3Å |
| 285 | M | 96.5 | Very high | 96.4 | Very high | 106 Ų | 106 | 106.1 Ų | 106.1 | 52% | 0.522 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -66.9 | -44.5 | 175.5 | -74.7 | -177.8 | 62.6 | 0 | 0 | 111.9 | L281 E282 Y287 Y288 L289 | L281-M285 HydrophobicContact CD1-CG 4.46Å; L281-M285 HydrophobicContact CD1-SD 4.47Å; L281-M285 HydrophobicContact CG-SD 4.23Å; L281-M285 WeakPolarHBondContact O-CG 3.23Å; L281-M285 PolarHBondContact O-N 3.49Å; E282-M285 PolarHBondContact O-N 3.02Å; E282-M285 VanDerWaalsContact O-N 3.16Å; M285-Y287 VanDerWaalsContact C-N 3.35Å; M285-Y287 PolarHBondContact O-N 3.34Å; M285-Y288 WeakPolarHBondContact O-CB 3.44Å; M285-Y288 PolarHBondContact O-N 3.08Å; M285-L289 WeakPolarHBondContact O-CB 3.47Å; M285-L289 WeakPolarHBondContact O-CG 3.47Å; M285-L289 PolarHBondContact O-N 3.38Å |
| 286 | D | 96.8 | Very high | 96.4 | Very high | 109 Ų | 109 | 107.3 Ų | 107.3 | 58% | 0.583 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -60 | -46.1 | 176.4 | -73.4 | -21.8 | 0 | 0 | 0 | 111.2 | E282 Y288 L289 A290 | E282-D286 PolarHBondContact O-N 2.91Å; D286-Y288 VanDerWaalsContact C-N 3.35Å; D286-Y288 PolarHBondContact O-N 3.12Å; D286-L289 PolarHBondContact O-N 3.23Å; D286-A290 VanDerWaalsContact O-CB 3.27Å; D286-A290 WeakPolarHBondContact O-CB 3.4Å; D286-A290 PolarHBondContact O-N 3.46Å |
| 287 | Y | 96.3 | Very high | 96.4 | Very high | 163 Ų | 163 | 108.8 Ų | 108.8 | 64% | 0.639 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -62.7 | -41.3 | 176.6 | -172.7 | -101.5 | 0 | 0 | 0 | 112.2 | M283 M285 N291 | M283-Y287 WeakPolarHBondContact O-CB 3.42Å; M283-Y287 PolarHBondContact O-N 3.44Å; M285-Y287 VanDerWaalsContact C-N 3.35Å; M285-Y287 PolarHBondContact O-N 3.34Å; Y287-N291 WeakPolarHBondContact CD1-ND2 3.48Å; Y287-N291 WeakPolarHBondContact CE1-ND2 3.3Å; Y287-N291 WeakPolarHBondContact O-CB 3.44Å; Y287-N291 PolarHBondContact O-N 2.83Å; Y287-N291 PolarHBondContact O-ND2 2.94Å |
| 288 | Y | 97.3 | Very high | 96.4 | Very high | 128 Ų | 128 | 111.5 Ų | 111.5 | 50% | 0.502 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -60.8 | -50 | 175.8 | 178.9 | -90.6 | 0 | 0 | 0 | 111.4 | A284 M285 D286 N291 R292 | A284-Y288 VanDerWaalsContact O-CB 3.31Å; A284-Y288 WeakPolarHBondContact O-CB 3.48Å; A284-Y288 PolarHBondContact O-N 3Å; M285-Y288 WeakPolarHBondContact O-CB 3.44Å; M285-Y288 PolarHBondContact O-N 3.08Å; D286-Y288 VanDerWaalsContact C-N 3.35Å; D286-Y288 PolarHBondContact O-N 3.12Å; Y288-N291 PolarHBondContact O-N 2.83Å; Y288-R292 HydrophobicContact CD1-CG 4.14Å; Y288-R292 HydrophobicContact CE1-CG 3.78Å; Y288-R292 VanDerWaalsContact O-CG 3.28Å; Y288-R292 WeakPolarHBondContact O-CG 3.33Å; Y288-R292 PolarHBondContact O-N 3.48Å; Y288-R292 PolarHBondContact OH-NE 3.28Å; Y288-R292 PolarHBondContact OH-NH2 3.08Å |
| 289 | L | 97.2 | Very high | 96.2 | Very high | 95 Ų | 95 | 109.4 Ų | 109.4 | 50% | 0.497 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -65.5 | -41.3 | -179.7 | -71.4 | 173.8 | 0 | 0 | 0 | 112.1 | M285 D286 N291 R292 T293 | M285-L289 WeakPolarHBondContact O-CB 3.47Å; M285-L289 WeakPolarHBondContact O-CG 3.47Å; M285-L289 PolarHBondContact O-N 3.38Å; D286-L289 PolarHBondContact O-N 3.23Å; L289-N291 PolarHBondContact O-N 2.91Å; L289-R292 PolarHBondContact O-N 2.75Å; L289-T293 WeakPolarHBondContact O-CB 3.17Å; L289-T293 PolarHBondContact O-N 3.34Å; L289-T293 PolarHBondContact O-OG1 3.46Å |
| 290 | A | 97 | Very high | 96 | Very high | 58 Ų | 58 | 108 Ų | 108 | 48% | 0.479 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -60.6 | -44.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | D286 T293 R294 | D286-A290 VanDerWaalsContact O-CB 3.27Å; D286-A290 WeakPolarHBondContact O-CB 3.4Å; D286-A290 PolarHBondContact O-N 3.46Å; A290-T293 PolarHBondContact O-N 3Å; A290-R294 WeakPolarHBondContact O-CB 3.4Å; A290-R294 PolarHBondContact O-N 3.35Å |
| 291 | N | 96.1 | Very high | 95.7 | Very high | 63 Ų | 63 | 105 Ų | 105 | 34% | 0.337 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -66 | -40 | 176.7 | -80.3 | -26.5 | 0 | 0 | 0 | 112.9 | Y287 Y288 L289 R294 R295 | Y287-N291 WeakPolarHBondContact CD1-ND2 3.48Å; Y287-N291 WeakPolarHBondContact CE1-ND2 3.3Å; Y287-N291 WeakPolarHBondContact O-CB 3.44Å; Y287-N291 PolarHBondContact O-N 2.83Å; Y287-N291 PolarHBondContact O-ND2 2.94Å; Y288-N291 PolarHBondContact O-N 2.83Å; L289-N291 PolarHBondContact O-N 2.91Å; N291-R294 PolarHBondContact O-N 2.84Å; N291-R295 WeakPolarHBondContact O-CB 3.36Å; N291-R295 PolarHBondContact O-N 2.91Å |
| 292 | R | 96.7 | Very high | 95.3 | Very high | 123 Ų | 123 | 108.8 Ų | 108.8 | 46% | 0.464 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.7 | -43.8 | 175.1 | -70 | -66.6 | 176 | -175.7 | -2.7 | 111.5 | Y288 L289 R295 F296 | Y288-R292 HydrophobicContact CD1-CG 4.14Å; Y288-R292 HydrophobicContact CE1-CG 3.78Å; Y288-R292 VanDerWaalsContact O-CG 3.28Å; Y288-R292 WeakPolarHBondContact O-CG 3.33Å; Y288-R292 PolarHBondContact O-N 3.48Å; Y288-R292 PolarHBondContact OH-NE 3.28Å; Y288-R292 PolarHBondContact OH-NH2 3.08Å; L289-R292 PolarHBondContact O-N 2.75Å; R292-R295 PolarHBondContact O-N 3.32Å; R292-F296 WeakPolarHBondContact O-CB 3.49Å; R292-F296 PolarHBondContact O-N 2.8Å |
| 293 | T | 96.7 | Very high | 94.9 | Very high | 83 Ų | 83 | 110.8 Ų | 110.8 | 51% | 0.509 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -62.3 | -47.4 | 176.3 | -55.2 | 0 | 0 | 0 | 0 | 110.9 | L289 A290 R295 F296 T297 | L289-T293 WeakPolarHBondContact O-CB 3.17Å; L289-T293 PolarHBondContact O-N 3.34Å; L289-T293 PolarHBondContact O-OG1 3.46Å; A290-T293 PolarHBondContact O-N 3Å; T293-R295 VanDerWaalsContact C-N 3.34Å; T293-R295 PolarHBondContact O-N 3.25Å; T293-F296 WeakPolarHBondContact O-CB 3.48Å; T293-F296 PolarHBondContact O-N 2.93Å; T293-T297 PolarHBondContact O-N 3Å; T293-T297 PolarHBondContact O-OG1 2.75Å |
| 294 | R | 95.7 | Very high | 94.4 | Very high | 168 Ų | 168 | 109.8 Ų | 109.8 | 63% | 0.634 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -57.9 | -44.9 | 176.3 | -174.5 | 178.3 | -177.7 | -173.7 | 1.4 | 112.1 | A290 N291 T297 Q298 | A290-R294 WeakPolarHBondContact O-CB 3.4Å; A290-R294 PolarHBondContact O-N 3.35Å; N291-R294 PolarHBondContact O-N 2.84Å; R294-T297 PolarHBondContact O-N 3.48Å; R294-Q298 WeakPolarHBondContact O-CB 3.16Å; R294-Q298 VanDerWaalsContact O-CG 3.25Å; R294-Q298 WeakPolarHBondContact O-CG 3.27Å; R294-Q298 PolarHBondContact O-N 2.75Å |
| 295 | R | 95.5 | Very high | 93.6 | Very high | 152 Ų | 152 | 109.9 Ų | 109.9 | 57% | 0.574 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -64 | -42.7 | 177.2 | -174.9 | 175.7 | 177.9 | 176 | -0.5 | 111.5 | N291 R292 T293 Q298 I299 | N291-R295 WeakPolarHBondContact O-CB 3.36Å; N291-R295 PolarHBondContact O-N 2.91Å; R292-R295 PolarHBondContact O-N 3.32Å; T293-R295 VanDerWaalsContact C-N 3.34Å; T293-R295 PolarHBondContact O-N 3.25Å; R295-Q298 PolarHBondContact O-N 2.72Å; R295-I299 HydrophobicContact CG-CD1 3.94Å; R295-I299 WeakPolarHBondContact O-CG1 3.48Å; R295-I299 PolarHBondContact O-N 3.41Å |
| 296 | F | 95.9 | Very high | 92.8 | Very high | 136 Ų | 136 | 110.2 Ų | 110.2 | 60% | 0.596 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -59.8 | -51.5 | 175.2 | 174.6 | -96.9 | 0 | 0 | 0 | 111.1 | R292 T293 Q298 I299 H300 | R292-F296 WeakPolarHBondContact O-CB 3.49Å; R292-F296 PolarHBondContact O-N 2.8Å; T293-F296 WeakPolarHBondContact O-CB 3.48Å; T293-F296 PolarHBondContact O-N 2.93Å; F296-Q298 VanDerWaalsContact C-N 3.31Å; F296-Q298 PolarHBondContact O-N 3.39Å; F296-I299 PolarHBondContact O-N 2.75Å; F296-H300 HydrophobicContact CE1-CB 4.43Å; F296-H300 VanDerWaalsContact O-CB 3.27Å; F296-H300 WeakPolarHBondContact O-CB 3.25Å; F296-H300 PolarHBondContact O-N 3.27Å |
| 297 | T | 95.3 | Very high | 92.1 | Very high | 82 Ų | 82 | 109.3 Ų | 109.3 | 50% | 0.503 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -60.6 | -39.3 | -179.8 | -49.9 | 0 | 0 | 0 | 0 | 112 | T293 R294 H301 | T293-T297 PolarHBondContact O-N 3Å; T293-T297 PolarHBondContact O-OG1 2.75Å; R294-T297 PolarHBondContact O-N 3.48Å; T297-H301 VanDerWaalsContact O-CB 3.25Å; T297-H301 WeakPolarHBondContact O-CB 3.34Å; T297-H301 PolarHBondContact O-N 3.33Å |
| 298 | Q | 94.2 | Very high | 91.4 | Very high | 98 Ų | 98 | 105.7 Ų | 105.7 | 46% | 0.458 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.6 | -46 | 175.5 | -75.4 | 173.4 | -6.2 | 0 | 0 | 112.7 | R294 R295 F296 R302 | R294-Q298 WeakPolarHBondContact O-CB 3.16Å; R294-Q298 VanDerWaalsContact O-CG 3.25Å; R294-Q298 WeakPolarHBondContact O-CG 3.27Å; R294-Q298 PolarHBondContact O-N 2.75Å; R295-Q298 PolarHBondContact O-N 2.72Å; F296-Q298 VanDerWaalsContact C-N 3.31Å; F296-Q298 PolarHBondContact O-N 3.39Å; Q298-R302 WeakPolarHBondContact O-CG 3.5Å; Q298-R302 PolarHBondContact O-N 3.22Å |
| 299 | I | 93.1 | Very high | 90.8 | Very high | 97 Ų | 97 | 106.3 Ų | 106.3 | 50% | 0.497 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -67.9 | -43.7 | 178.9 | -66.9 | 169.3 | 0 | 0 | 0 | 110.1 | R295 F296 H301 R302 L303 | R295-I299 HydrophobicContact CG-CD1 3.94Å; R295-I299 WeakPolarHBondContact O-CG1 3.48Å; R295-I299 PolarHBondContact O-N 3.41Å; F296-I299 PolarHBondContact O-N 2.75Å; I299-H301 PolarHBondContact O-N 3.14Å; I299-R302 PolarHBondContact O-N 2.57Å; I299-L303 WeakPolarHBondContact O-CB 3.18Å; I299-L303 PolarHBondContact O-N 3.31Å |
| 300 | H | 92.4 | Very high | 90.1 | Very high | 78 Ų | 78 | 105.5 Ų | 105.5 | 36% | 0.361 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.5 | -43.7 | 177.9 | -169.9 | 73.7 | 0 | 0 | 0 | 111.4 | F296 L303 Q304 | F296-H300 HydrophobicContact CE1-CB 4.43Å; F296-H300 VanDerWaalsContact O-CB 3.27Å; F296-H300 WeakPolarHBondContact O-CB 3.25Å; F296-H300 PolarHBondContact O-N 3.27Å; H300-L303 WeakPolarHBondContact O-CB 3.25Å; H300-L303 PolarHBondContact O-N 3.37Å; H300-Q304 PolarHBondContact CD2-NE2 3.29Å; H300-Q304 PolarHBondContact NE2-NE2 3.22Å; H300-Q304 WeakPolarHBondContact O-CG 3.45Å; H300-Q304 PolarHBondContact O-N 3.14Å |
| 301 | H | 90.1 | Very high | 89.5 | Confident | 97 Ų | 97 | 108.8 Ų | 108.8 | 45% | 0.449 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.8 | -43.2 | 175.4 | -171.6 | 66.5 | 0 | 0 | 0 | 112 | T297 I299 L303 Q304 Q305 | T297-H301 VanDerWaalsContact O-CB 3.25Å; T297-H301 WeakPolarHBondContact O-CB 3.34Å; T297-H301 PolarHBondContact O-N 3.33Å; I299-H301 PolarHBondContact O-N 3.14Å; H301-L303 VanDerWaalsContact C-N 3.3Å; H301-L303 PolarHBondContact O-N 2.95Å; H301-Q304 PolarHBondContact O-N 3.25Å; H301-Q305 PolarHBondContact CE1-NE2 2.79Å; H301-Q305 VanDerWaalsContact CE1-NE2 3.29Å; H301-Q305 PolarHBondContact NE2-NE2 2.98Å; H301-Q305 VanDerWaalsContact O-CG 3.25Å; H301-Q305 WeakPolarHBondContact O-CG 3.32Å; H301-Q305 PolarHBondContact O-N 3.27Å |
| 302 | R | 87.9 | Confident | 89.1 | Confident | 189 Ų | 189 | 110.3 Ų | 110.3 | 71% | 0.713 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -59.6 | -41.4 | 174.2 | -75.4 | 178.8 | -178.7 | -173.7 | 1.4 | 111.8 | Q298 I299 Q305 Q306 | Q298-R302 WeakPolarHBondContact O-CG 3.5Å; Q298-R302 PolarHBondContact O-N 3.22Å; I299-R302 PolarHBondContact O-N 2.57Å; R302-Q305 PolarHBondContact O-N 2.88Å; R302-Q306 WeakPolarHBondContact O-CG 3.38Å; R302-Q306 PolarHBondContact O-N 3.19Å; R302-Q306 VanDerWaalsContact O-N 3.14Å |
| 303 | L | 88 | Confident | 88.7 | Confident | 122 Ų | 122 | 106.5 Ų | 106.5 | 64% | 0.639 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -62.8 | -46.6 | 176.7 | -177.7 | 64.3 | 0 | 0 | 0 | 111.4 | I299 H300 H301 Q305 Q306 H307 | I299-L303 WeakPolarHBondContact O-CB 3.18Å; I299-L303 PolarHBondContact O-N 3.31Å; H300-L303 WeakPolarHBondContact O-CB 3.25Å; H300-L303 PolarHBondContact O-N 3.37Å; H301-L303 VanDerWaalsContact C-N 3.3Å; H301-L303 PolarHBondContact O-N 2.95Å; L303-Q305 VanDerWaalsContact C-N 3.33Å; L303-Q305 PolarHBondContact O-N 2.75Å; L303-Q306 PolarHBondContact O-N 3.22Å; L303-Q306 VanDerWaalsContact O-N 3.1Å; L303-H307 PolarHBondContact O-N 3.29Å |
| 304 | Q | 86 | Confident | 88.3 | Confident | 100 Ų | 100 | 109.6 Ų | 109.6 | 47% | 0.467 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -60.3 | -40.4 | 175.3 | -72.6 | -179 | -15.7 | 0 | 0 | 112.1 | H300 H301 Q306 H307 L310 | H300-Q304 PolarHBondContact CD2-NE2 3.29Å; H300-Q304 PolarHBondContact NE2-NE2 3.22Å; H300-Q304 WeakPolarHBondContact O-CG 3.45Å; H300-Q304 PolarHBondContact O-N 3.14Å; H301-Q304 PolarHBondContact O-N 3.25Å; Q304-Q306 PolarHBondContact O-N 2.92Å; Q304-H307 WeakPolarHBondContact O-CB 3.23Å; Q304-H307 PolarHBondContact O-N 3.48Å; Q304-L310 WeakPolarHBondContact O-CD1 3.43Å |
| 305 | Q | 80.9 | Confident | 88 | Confident | 61 Ų | 61 | 107.1 Ų | 107.1 | 29% | 0.285 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -67.8 | -20.6 | 177 | -68.2 | -63.9 | -29.5 | 0 | 0 | 113.6 | H301 R302 L303 H307 | H301-Q305 PolarHBondContact CE1-NE2 2.79Å; H301-Q305 VanDerWaalsContact CE1-NE2 3.29Å; H301-Q305 PolarHBondContact NE2-NE2 2.98Å; H301-Q305 VanDerWaalsContact O-CG 3.25Å; H301-Q305 WeakPolarHBondContact O-CG 3.32Å; H301-Q305 PolarHBondContact O-N 3.27Å; R302-Q305 PolarHBondContact O-N 2.88Å; L303-Q305 VanDerWaalsContact C-N 3.33Å; L303-Q305 PolarHBondContact O-N 2.75Å; Q305-H307 VanDerWaalsContact C-N 3.32Å |
| 306 | Q | 80.2 | Confident | 87.9 | Confident | 113 Ų | 113 | 105.6 Ų | 105.6 | 53% | 0.528 | 50% | 0.502 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.2 | 2.1 | 173.9 | -67.4 | -65.3 | -30.2 | 0 | 0 | 112.8 | R302 L303 Q304 R311 | R302-Q306 WeakPolarHBondContact O-CG 3.38Å; R302-Q306 PolarHBondContact O-N 3.19Å; R302-Q306 VanDerWaalsContact O-N 3.14Å; L303-Q306 PolarHBondContact O-N 3.22Å; L303-Q306 VanDerWaalsContact O-N 3.1Å; Q304-Q306 PolarHBondContact O-N 2.92Å; Q306-R311 WeakPolarHBondContact O-CD 3.36Å |
| 307 | H | 80.8 | Confident | 87.7 | Confident | 89 Ų | 89 | 103.5 Ų | 103.5 | 41% | 0.412 | 50% | 0.5 | S | S | . | . | trans | -54 | 126.5 | -179.7 | -166 | -98.9 | 0 | 0 | 0 | 110.4 | L303 Q304 Q305 Q309 L310 R311 | L303-H307 PolarHBondContact O-N 3.29Å; Q304-H307 WeakPolarHBondContact O-CB 3.23Å; Q304-H307 PolarHBondContact O-N 3.48Å; Q305-H307 VanDerWaalsContact C-N 3.32Å; H307-Q309 PolarHBondContact CE1-OE1 2.9Å; H307-Q309 PolarHBondContact O-N 2.91Å; H307-Q309 VanDerWaalsContact O-N 3.08Å; H307-L310 HydrophobicContact CB-CD1 4.35Å; H307-L310 HydrophobicContact CB-CG 4.47Å; H307-L310 PolarHBondContact O-N 3.02Å; H307-R311 PolarHBondContact O-N 3.4Å; H307-R311 VanDerWaalsContact O-N 3.08Å | ||
| 308 | P | 82.7 | Confident | 87.7 | Confident | 87 Ų | 87 | 104.4 Ų | 104.4 | 57% | 0.565 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -52.5 | -37.7 | -173 | -29.6 | 34.6 | 0 | 0 | 0 | 113.5 | L310 R311 L312 | P308-L310 PolarHBondContact O-N 3.46Å; P308-R311 PolarHBondContact O-N 3.19Å; P308-L312 WeakPolarHBondContact O-CB 3.35Å; P308-L312 VanDerWaalsContact O-CG 3.25Å; P308-L312 WeakPolarHBondContact O-CG 3.38Å; P308-L312 PolarHBondContact O-N 2.85Å |
| 309 | Q | 84.6 | Confident | 87.7 | Confident | 141 Ų | 141 | 104.2 Ų | 104.2 | 66% | 0.659 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -64.5 | -39.4 | 177.4 | -64.3 | 174.9 | -12.1 | 0 | 0 | 112.8 | H307 L312 A313 | H307-Q309 PolarHBondContact CE1-OE1 2.9Å; H307-Q309 PolarHBondContact O-N 2.91Å; H307-Q309 VanDerWaalsContact O-N 3.08Å; Q309-L312 PolarHBondContact O-N 3.31Å; Q309-A313 VanDerWaalsContact O-CB 3.26Å; Q309-A313 WeakPolarHBondContact O-CB 3.23Å; Q309-A313 PolarHBondContact O-N 2.89Å |
| 310 | L | 81.9 | Confident | 87.9 | Confident | 79 Ų | 79 | 105.1 Ų | 105.1 | 41% | 0.414 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -69.7 | -37.7 | 176.2 | -72 | 176.1 | 0 | 0 | 0 | 111.4 | Q304 H307 P308 A313 R314 | Q304-L310 WeakPolarHBondContact O-CD1 3.43Å; H307-L310 HydrophobicContact CB-CD1 4.35Å; H307-L310 HydrophobicContact CB-CG 4.47Å; H307-L310 PolarHBondContact O-N 3.02Å; P308-L310 PolarHBondContact O-N 3.46Å; L310-A313 PolarHBondContact O-N 2.94Å; L310-R314 WeakPolarHBondContact O-CG 3.11Å; L310-R314 PolarHBondContact O-N 3.37Å |
| 311 | R | 83.9 | Confident | 88 | Confident | 127 Ų | 127 | 109.8 Ų | 109.8 | 48% | 0.479 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63.5 | -46.9 | 174.2 | -69 | -176.5 | 64.8 | -178.8 | -2.2 | 111.2 | Q306 H307 P308 R314 Q315 | Q306-R311 WeakPolarHBondContact O-CD 3.36Å; H307-R311 PolarHBondContact O-N 3.4Å; H307-R311 VanDerWaalsContact O-N 3.08Å; P308-R311 PolarHBondContact O-N 3.19Å; R311-R314 PolarHBondContact O-N 3.04Å; R311-Q315 WeakPolarHBondContact O-CB 3.34Å; R311-Q315 VanDerWaalsContact O-CG 3.32Å; R311-Q315 WeakPolarHBondContact O-CG 3.35Å; R311-Q315 PolarHBondContact O-N 3.07Å |
| 312 | L | 88.2 | Confident | 88.3 | Confident | 95 Ų | 95 | 109 Ų | 109 | 50% | 0.497 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62.6 | -43.9 | 176.3 | -72.5 | 170.3 | 0 | 0 | 0 | 111.2 | P308 Q309 R314 Q315 Q316 | P308-L312 WeakPolarHBondContact O-CB 3.35Å; P308-L312 VanDerWaalsContact O-CG 3.25Å; P308-L312 WeakPolarHBondContact O-CG 3.38Å; P308-L312 PolarHBondContact O-N 2.85Å; Q309-L312 PolarHBondContact O-N 3.31Å; L312-R314 PolarHBondContact O-N 3.43Å; L312-Q315 PolarHBondContact O-N 2.98Å; L312-Q316 WeakPolarHBondContact O-CB 3.49Å; L312-Q316 VanDerWaalsContact O-CG 3.31Å; L312-Q316 WeakPolarHBondContact O-CG 3.45Å; L312-Q316 PolarHBondContact O-N 3.09Å |
| 313 | A | 88.8 | Confident | 88.7 | Confident | 43 Ų | 43 | 106.4 Ų | 106.4 | 36% | 0.355 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -59.6 | -46.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q309 L310 Q315 Q316 T317 | Q309-A313 VanDerWaalsContact O-CB 3.26Å; Q309-A313 WeakPolarHBondContact O-CB 3.23Å; Q309-A313 PolarHBondContact O-N 2.89Å; L310-A313 PolarHBondContact O-N 2.94Å; A313-Q315 VanDerWaalsContact C-N 3.34Å; A313-Q315 PolarHBondContact O-N 3.46Å; A313-Q316 PolarHBondContact O-N 2.84Å; A313-T317 PolarHBondContact O-N 3.13Å; A313-T317 PolarHBondContact O-OG1 2.54Å |
| 314 | R | 87.2 | Confident | 89.1 | Confident | 148 Ų | 148 | 106.9 Ų | 106.9 | 56% | 0.558 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -60.7 | -42.1 | 175 | -75.3 | -178.6 | -173.7 | 162.5 | 9 | 112.3 | L310 R311 L312 M318 | L310-R314 WeakPolarHBondContact O-CG 3.11Å; L310-R314 PolarHBondContact O-N 3.37Å; R311-R314 PolarHBondContact O-N 3.04Å; L312-R314 PolarHBondContact O-N 3.43Å; R314-M318 WeakPolarHBondContact O-CB 3.37Å; R314-M318 PolarHBondContact O-N 3.13Å |
| 315 | Q | 89.9 | Confident | 89.5 | Confident | 115 Ų | 115 | 110.3 Ų | 110.3 | 54% | 0.537 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -66.6 | -39.6 | 177.6 | -74.7 | 176.9 | -18 | 0 | 0 | 111.8 | R311 L312 A313 M318 L319 | R311-Q315 WeakPolarHBondContact O-CB 3.34Å; R311-Q315 VanDerWaalsContact O-CG 3.32Å; R311-Q315 WeakPolarHBondContact O-CG 3.35Å; R311-Q315 PolarHBondContact O-N 3.07Å; L312-Q315 PolarHBondContact O-N 2.98Å; A313-Q315 VanDerWaalsContact C-N 3.34Å; A313-Q315 PolarHBondContact O-N 3.46Å; Q315-M318 PolarHBondContact O-N 3.04Å; Q315-L319 WeakPolarHBondContact O-CB 3.33Å; Q315-L319 PolarHBondContact O-N 3.37Å |
| 316 | Q | 93 | Very high | 90.2 | Very high | 121 Ų | 121 | 113.8 Ų | 113.8 | 57% | 0.565 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -62.4 | -48.1 | 174.5 | -76.2 | 174.9 | -16.1 | 0 | 0 | 111.2 | L312 A313 M318 L319 E320 | L312-Q316 WeakPolarHBondContact O-CB 3.49Å; L312-Q316 VanDerWaalsContact O-CG 3.31Å; L312-Q316 WeakPolarHBondContact O-CG 3.45Å; L312-Q316 PolarHBondContact O-N 3.09Å; A313-Q316 PolarHBondContact O-N 2.84Å; Q316-M318 VanDerWaalsContact C-N 3.3Å; Q316-M318 PolarHBondContact O-N 2.98Å; Q316-L319 WeakPolarHBondContact O-CB 3.25Å; Q316-L319 PolarHBondContact O-N 2.78Å; Q316-E320 WeakPolarHBondContact O-CG 3.15Å; Q316-E320 PolarHBondContact O-N 3.1Å |
| 317 | T | 93.3 | Very high | 91 | Very high | 92 Ų | 92 | 110.8 Ų | 110.8 | 56% | 0.564 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -60.6 | -40 | 176 | -50.8 | 0 | 0 | 0 | 0 | 111.9 | A313 E320 R321 | A313-T317 PolarHBondContact O-N 3.13Å; A313-T317 PolarHBondContact O-OG1 2.54Å; T317-E320 PolarHBondContact O-N 3.22Å; T317-R321 WeakPolarHBondContact O-CB 3.08Å; T317-R321 PolarHBondContact O-N 2.75Å |
| 318 | M | 94.3 | Very high | 91.7 | Very high | 100 Ų | 100 | 112.5 Ų | 112.5 | 49% | 0.493 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -65.3 | -42.7 | 176.1 | -174.2 | 60.4 | 178.5 | 0 | 0 | 111.6 | R314 Q315 Q316 R321 L322 | R314-M318 WeakPolarHBondContact O-CB 3.37Å; R314-M318 PolarHBondContact O-N 3.13Å; Q315-M318 PolarHBondContact O-N 3.04Å; Q316-M318 VanDerWaalsContact C-N 3.3Å; Q316-M318 PolarHBondContact O-N 2.98Å; M318-R321 PolarHBondContact O-N 3.26Å; M318-L322 HydrophobicContact CE-CD1 4.07Å; M318-L322 HydrophobicContact CE-CD2 4.13Å; M318-L322 HydrophobicContact CE-CG 4.06Å; M318-L322 HydrophobicContact CG-CD1 4.24Å; M318-L322 WeakPolarHBondContact O-CB 3.31Å; M318-L322 WeakPolarHBondContact O-CG 3.41Å; M318-L322 PolarHBondContact O-N 3.32Å |
| 319 | L | 95.3 | Very high | 92.4 | Very high | 94 Ų | 94 | 111.1 Ų | 111.1 | 49% | 0.492 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -60.6 | -46.1 | 176.3 | -177.6 | 68.6 | 0 | 0 | 0 | 111.1 | Q315 Q316 R321 L322 K323 | Q315-L319 WeakPolarHBondContact O-CB 3.33Å; Q315-L319 PolarHBondContact O-N 3.37Å; Q316-L319 WeakPolarHBondContact O-CB 3.25Å; Q316-L319 PolarHBondContact O-N 2.78Å; L319-R321 VanDerWaalsContact C-N 3.34Å; L319-R321 PolarHBondContact O-N 2.89Å; L319-L322 PolarHBondContact O-N 3.47Å; L319-K323 HydrophobicContact CG-CD 4.41Å; L319-K323 WeakPolarHBondContact O-CB 3.29Å; L319-K323 WeakPolarHBondContact O-CG 3.47Å; L319-K323 PolarHBondContact O-N 3.09Å |
| 320 | E | 96 | Very high | 92.9 | Very high | 116 Ų | 116 | 108.9 Ų | 108.9 | 54% | 0.542 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -60.7 | -42.7 | 176.1 | -73.8 | -178.9 | 177.3 | 0 | 0 | 112.2 | Q316 T317 K323 K324 | Q316-E320 WeakPolarHBondContact O-CG 3.15Å; Q316-E320 PolarHBondContact O-N 3.1Å; T317-E320 PolarHBondContact O-N 3.22Å; E320-K323 PolarHBondContact O-N 3.49Å; E320-K324 WeakPolarHBondContact O-CG 3.39Å; E320-K324 PolarHBondContact O-N 3.16Å |
| 321 | R | 95.4 | Very high | 93.6 | Very high | 177 Ų | 177 | 110.6 Ų | 110.6 | 67% | 0.668 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -63.4 | -42.9 | 177 | -164.8 | 180 | -154 | 176.3 | 7.7 | 111.7 | T317 M318 L319 R325 | T317-R321 WeakPolarHBondContact O-CB 3.08Å; T317-R321 PolarHBondContact O-N 2.75Å; M318-R321 PolarHBondContact O-N 3.26Å; L319-R321 VanDerWaalsContact C-N 3.34Å; L319-R321 PolarHBondContact O-N 2.89Å; R321-R325 WeakPolarHBondContact O-CG 3.32Å; R321-R325 PolarHBondContact O-N 3.44Å |
| 322 | L | 96.1 | Very high | 94.2 | Very high | 81 Ų | 81 | 108.5 Ų | 108.5 | 42% | 0.424 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -65.8 | -42.7 | 177 | -73.4 | 174.2 | 0 | 0 | 0 | 111.7 | M318 L319 K324 R325 M326 | M318-L322 HydrophobicContact CE-CD1 4.07Å; M318-L322 HydrophobicContact CE-CD2 4.13Å; M318-L322 HydrophobicContact CE-CG 4.06Å; M318-L322 HydrophobicContact CG-CD1 4.24Å; M318-L322 WeakPolarHBondContact O-CB 3.31Å; M318-L322 WeakPolarHBondContact O-CG 3.41Å; M318-L322 PolarHBondContact O-N 3.32Å; L319-L322 PolarHBondContact O-N 3.47Å; L322-K324 PolarHBondContact O-N 3.42Å; L322-R325 PolarHBondContact O-N 3.2Å; L322-M326 WeakPolarHBondContact O-CB 3.27Å; L322-M326 PolarHBondContact O-N 3.37Å |
| 323 | K | 96.5 | Very high | 94.6 | Very high | 133 Ų | 133 | 110.4 Ų | 110.4 | 58% | 0.578 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -58.2 | -47.8 | 174.6 | -77 | -179.7 | 177.3 | -175.9 | 0 | 111.8 | L319 E320 R325 M326 S327 | L319-K323 HydrophobicContact CG-CD 4.41Å; L319-K323 WeakPolarHBondContact O-CB 3.29Å; L319-K323 WeakPolarHBondContact O-CG 3.47Å; L319-K323 PolarHBondContact O-N 3.09Å; E320-K323 PolarHBondContact O-N 3.49Å; K323-R325 PolarHBondContact O-N 3.24Å; K323-M326 PolarHBondContact O-N 2.88Å; K323-S327 PolarHBondContact O-N 3.42Å |
| 324 | K | 95.6 | Very high | 94.9 | Very high | 133 Ų | 133 | 113.9 Ų | 113.9 | 58% | 0.578 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -61.6 | -43.7 | 175.9 | -72.9 | 178.4 | 179.5 | 176.7 | 0 | 112 | E320 L322 M326 S327 F328 | E320-K324 WeakPolarHBondContact O-CG 3.39Å; E320-K324 PolarHBondContact O-N 3.16Å; L322-K324 PolarHBondContact O-N 3.42Å; K324-M326 VanDerWaalsContact C-N 3.32Å; K324-M326 PolarHBondContact O-N 3.2Å; K324-S327 PolarHBondContact O-N 3.14Å; K324-S327 PolarHBondContact O-OG 3.41Å; K324-F328 WeakPolarHBondContact O-CD2 3.35Å; K324-F328 PolarHBondContact O-N 3.07Å |
| 325 | R | 95.3 | Very high | 95.4 | Very high | 171 Ų | 171 | 113.3 Ų | 113.3 | 65% | 0.645 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -61.8 | -40.7 | 176.4 | -75.9 | 179.5 | 68.5 | -167.1 | 1.1 | 112.1 | R321 L322 K323 A329 | R321-R325 WeakPolarHBondContact O-CG 3.32Å; R321-R325 PolarHBondContact O-N 3.44Å; L322-R325 PolarHBondContact O-N 3.2Å; K323-R325 PolarHBondContact O-N 3.24Å; R325-A329 WeakPolarHBondContact O-CB 3.46Å; R325-A329 PolarHBondContact O-N 3.18Å |
| 326 | M | 96 | Very high | 95.6 | Very high | 135 Ų | 135 | 116.5 Ų | 116.5 | 67% | 0.665 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -63.6 | -46.9 | 176.4 | 177.9 | -175.4 | 157.8 | 0 | 0 | 111.1 | L322 K323 K324 F328 A329 L330 | L322-M326 WeakPolarHBondContact O-CB 3.27Å; L322-M326 PolarHBondContact O-N 3.37Å; K323-M326 PolarHBondContact O-N 2.88Å; K324-M326 VanDerWaalsContact C-N 3.32Å; K324-M326 PolarHBondContact O-N 3.2Å; M326-F328 PolarHBondContact O-N 3.42Å; M326-A329 PolarHBondContact O-N 3.12Å; M326-L330 WeakPolarHBondContact O-CB 3.41Å; M326-L330 PolarHBondContact O-N 3.14Å |
| 327 | S | 96.7 | Very high | 95.8 | Very high | 49 Ų | 49 | 113.2 Ų | 113.2 | 34% | 0.343 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -61.4 | -46.7 | 178.9 | 67.4 | 0 | 0 | 0 | 0 | 111.4 | K323 K324 A329 L330 E331 | K323-S327 PolarHBondContact O-N 3.42Å; K324-S327 PolarHBondContact O-N 3.14Å; K324-S327 PolarHBondContact O-OG 3.41Å; S327-A329 VanDerWaalsContact C-N 3.33Å; S327-A329 PolarHBondContact O-N 2.95Å; S327-L330 PolarHBondContact O-N 3.5Å; S327-E331 WeakPolarHBondContact O-CB 3.17Å; S327-E331 WeakPolarHBondContact O-CG 3.44Å; S327-E331 PolarHBondContact O-N 3.04Å |
| 328 | F | 95.6 | Very high | 95.9 | Very high | 126 Ų | 126 | 110.3 Ų | 110.3 | 55% | 0.553 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -61.1 | -38.7 | 175.3 | -81.4 | -62.9 | 0 | 0 | 0 | 113 | K324 M326 N332 | K324-F328 WeakPolarHBondContact O-CD2 3.35Å; K324-F328 PolarHBondContact O-N 3.07Å; M326-F328 PolarHBondContact O-N 3.42Å; F328-N332 VanDerWaalsContact O-CB 3.31Å; F328-N332 WeakPolarHBondContact O-CB 3.47Å; F328-N332 VanDerWaalsContact O-CG 3.29Å; F328-N332 PolarHBondContact O-N 3.07Å; F328-N332 PolarHBondContact O-ND2 3.22Å |
| 329 | A | 96.6 | Very high | 95.9 | Very high | 58 Ų | 58 | 109.8 Ų | 109.8 | 48% | 0.479 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -65.7 | -43.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | R325 M326 S327 N332 Q333 | R325-A329 WeakPolarHBondContact O-CB 3.46Å; R325-A329 PolarHBondContact O-N 3.18Å; M326-A329 PolarHBondContact O-N 3.12Å; S327-A329 VanDerWaalsContact C-N 3.33Å; S327-A329 PolarHBondContact O-N 2.95Å; A329-N332 PolarHBondContact O-N 2.98Å; A329-Q333 WeakPolarHBondContact O-CB 3.38Å; A329-Q333 PolarHBondContact O-N 2.7Å |
| 330 | L | 96.1 | Very high | 95.9 | Very high | 93 Ų | 93 | 110.9 Ų | 110.9 | 49% | 0.487 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -64.7 | -47.4 | 178.4 | -171.1 | 71.4 | 0 | 0 | 0 | 111.6 | M326 S327 N332 Q333 L334 | M326-L330 WeakPolarHBondContact O-CB 3.41Å; M326-L330 PolarHBondContact O-N 3.14Å; S327-L330 PolarHBondContact O-N 3.5Å; L330-N332 VanDerWaalsContact C-N 3.32Å; L330-N332 PolarHBondContact O-N 3.07Å; L330-Q333 PolarHBondContact O-N 2.92Å; L330-L334 HydrophobicContact CG-CD1 4.3Å; L330-L334 WeakPolarHBondContact O-CG 3.47Å; L330-L334 PolarHBondContact O-N 3.34Å |
| 331 | E | 96.8 | Very high | 95.9 | Very high | 115 Ų | 115 | 111.7 Ų | 111.7 | 54% | 0.537 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -58.1 | -44.2 | 175.9 | -76.3 | 172.8 | -162.9 | 0 | 0 | 111.7 | S327 Q333 L334 K335 | S327-E331 WeakPolarHBondContact O-CB 3.17Å; S327-E331 WeakPolarHBondContact O-CG 3.44Å; S327-E331 PolarHBondContact O-N 3.04Å; E331-Q333 PolarHBondContact O-N 3.41Å; E331-L334 PolarHBondContact O-N 3.36Å; E331-K335 VanDerWaalsContact O-CB 3.3Å; E331-K335 WeakPolarHBondContact O-CB 3.44Å; E331-K335 PolarHBondContact O-N 3.21Å |
| 332 | N | 95.8 | Very high | 95.9 | Very high | 84 Ų | 84 | 108.8 Ų | 108.8 | 45% | 0.449 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -65.7 | -37.9 | 176.9 | -79.4 | -45.8 | 0 | 0 | 0 | 112.5 | F328 A329 L330 R336 | F328-N332 VanDerWaalsContact O-CB 3.31Å; F328-N332 WeakPolarHBondContact O-CB 3.47Å; F328-N332 VanDerWaalsContact O-CG 3.29Å; F328-N332 PolarHBondContact O-N 3.07Å; F328-N332 PolarHBondContact O-ND2 3.22Å; A329-N332 PolarHBondContact O-N 2.98Å; L330-N332 VanDerWaalsContact C-N 3.32Å; L330-N332 PolarHBondContact O-N 3.07Å; N332-R336 WeakPolarHBondContact O-CB 3.35Å; N332-R336 VanDerWaalsContact O-CG 3.28Å; N332-R336 WeakPolarHBondContact O-CG 3.25Å; N332-R336 PolarHBondContact O-N 3.17Å |
| 333 | Q | 96.5 | Very high | 95.8 | Very high | 135 Ų | 135 | 111.9 Ų | 111.9 | 63% | 0.631 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -65.8 | -45.7 | 176.5 | -174.3 | 173.8 | -0.7 | 0 | 0 | 111.3 | A329 L330 E331 R336 A337 | A329-Q333 WeakPolarHBondContact O-CB 3.38Å; A329-Q333 PolarHBondContact O-N 2.7Å; L330-Q333 PolarHBondContact O-N 2.92Å; E331-Q333 PolarHBondContact O-N 3.41Å; Q333-R336 PolarHBondContact O-N 3.12Å; Q333-A337 WeakPolarHBondContact O-CB 3.12Å; Q333-A337 PolarHBondContact O-N 3.1Å |
| 334 | L | 95.9 | Very high | 95.7 | Very high | 116 Ų | 116 | 110.3 Ų | 110.3 | 61% | 0.607 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -61.7 | -43.8 | 175.5 | -71 | 171.7 | 0 | 0 | 0 | 111.5 | L330 E331 R336 A337 G338 | L330-L334 HydrophobicContact CG-CD1 4.3Å; L330-L334 WeakPolarHBondContact O-CG 3.47Å; L330-L334 PolarHBondContact O-N 3.34Å; E331-L334 PolarHBondContact O-N 3.36Å; L334-R336 PolarHBondContact O-N 3.19Å; L334-A337 PolarHBondContact O-N 3.25Å; L334-G338 PolarHBondContact O-N 3.32Å |
| 335 | K | 96.1 | Very high | 95.6 | Very high | 136 Ų | 136 | 107 Ų | 107 | 59% | 0.591 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -60.8 | -43.4 | 176 | -174.3 | 175.3 | -178.5 | 177.1 | 0 | 112 | E331 G338 Q339 | E331-K335 VanDerWaalsContact O-CB 3.3Å; E331-K335 WeakPolarHBondContact O-CB 3.44Å; E331-K335 PolarHBondContact O-N 3.21Å; K335-G338 PolarHBondContact O-N 3.17Å; K335-Q339 WeakPolarHBondContact O-CB 3.43Å; K335-Q339 VanDerWaalsContact O-CG 3.29Å; K335-Q339 WeakPolarHBondContact O-CG 3.43Å; K335-Q339 PolarHBondContact O-N 3.38Å |
| 336 | R | 95.7 | Very high | 95.5 | Very high | 181 Ų | 181 | 103.4 Ų | 103.4 | 68% | 0.683 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -63.2 | -43.4 | 175.8 | -76.1 | 175.3 | -177.3 | -175.8 | 1.7 | 111.7 | N332 Q333 L334 Q339 Q340 | N332-R336 WeakPolarHBondContact O-CB 3.35Å; N332-R336 VanDerWaalsContact O-CG 3.28Å; N332-R336 WeakPolarHBondContact O-CG 3.25Å; N332-R336 PolarHBondContact O-N 3.17Å; Q333-R336 PolarHBondContact O-N 3.12Å; L334-R336 PolarHBondContact O-N 3.19Å; R336-Q339 PolarHBondContact O-N 2.74Å; R336-Q340 WeakPolarHBondContact O-CB 3.38Å; R336-Q340 PolarHBondContact O-N 2.86Å |
| 337 | A | 95.6 | Very high | 95.2 | Very high | 53 Ų | 53 | 105.2 Ų | 105.2 | 44% | 0.438 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.2 | -45.5 | 177 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q333 L334 Q339 Q340 Q341 | Q333-A337 WeakPolarHBondContact O-CB 3.12Å; Q333-A337 PolarHBondContact O-N 3.1Å; L334-A337 PolarHBondContact O-N 3.25Å; A337-Q339 PolarHBondContact O-N 3.39Å; A337-Q340 PolarHBondContact O-N 2.87Å; A337-Q341 PolarHBondContact O-N 2.92Å |
| 338 | G | 96 | Very high | 94.9 | Very high | 31 Ų | 31 | 108.9 Ų | 108.9 | 32% | 0.32 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -61.7 | -42.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113 | L334 K335 Q340 Q341 Q342 | L334-G338 PolarHBondContact O-N 3.32Å; K335-G338 PolarHBondContact O-N 3.17Å; G338-Q340 VanDerWaalsContact C-N 3.33Å; G338-Q340 PolarHBondContact O-N 3.09Å; G338-Q341 PolarHBondContact O-N 2.82Å; G338-Q342 WeakPolarHBondContact O-CB 3.24Å; G338-Q342 PolarHBondContact O-N 3.22Å |
| 339 | Q | 95.2 | Very high | 94.6 | Very high | 88 Ų | 88 | 108 Ų | 108 | 41% | 0.411 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -65.6 | -33.7 | 174.5 | -73.8 | 176.3 | -12.2 | 0 | 0 | 112.9 | K335 R336 A337 R343 | K335-Q339 WeakPolarHBondContact O-CB 3.43Å; K335-Q339 VanDerWaalsContact O-CG 3.29Å; K335-Q339 WeakPolarHBondContact O-CG 3.43Å; K335-Q339 PolarHBondContact O-N 3.38Å; R336-Q339 PolarHBondContact O-N 2.74Å; A337-Q339 PolarHBondContact O-N 3.39Å; Q339-R343 WeakPolarHBondContact O-CB 3.35Å; Q339-R343 VanDerWaalsContact O-CG 3.28Å; Q339-R343 WeakPolarHBondContact O-CG 3.19Å; Q339-R343 PolarHBondContact O-N 2.99Å; Q339-R343 VanDerWaalsContact O-N 3.09Å; Q339-R343 PolarHBondContact O-NE 3.09Å; Q339-R343 VanDerWaalsContact O-NE 3.09Å |
| 340 | Q | 95.3 | Very high | 94.1 | Very high | 117 Ų | 117 | 112.5 Ų | 112.5 | 55% | 0.547 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -69.1 | -45.2 | 174.6 | -176.5 | 174.7 | -0.8 | 0 | 0 | 110.9 | R336 A337 G338 R343 L344 | R336-Q340 WeakPolarHBondContact O-CB 3.38Å; R336-Q340 PolarHBondContact O-N 2.86Å; A337-Q340 PolarHBondContact O-N 2.87Å; G338-Q340 VanDerWaalsContact C-N 3.33Å; G338-Q340 PolarHBondContact O-N 3.09Å; Q340-R343 PolarHBondContact O-N 2.9Å; Q340-L344 HydrophobicContact CG-CD1 4.21Å; Q340-L344 WeakPolarHBondContact O-CG 3.16Å; Q340-L344 PolarHBondContact O-N 3.46Å |
| 341 | Q | 95.6 | Very high | 93.6 | Very high | 133 Ų | 133 | 114.8 Ų | 114.8 | 62% | 0.621 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -56.6 | -51.4 | 173.8 | -175.4 | -158 | -3.2 | 0 | 0 | 110.6 | A337 G338 R343 L344 T345 | A337-Q341 PolarHBondContact O-N 2.92Å; G338-Q341 PolarHBondContact O-N 2.82Å; Q341-R343 VanDerWaalsContact C-N 3.32Å; Q341-R343 PolarHBondContact O-N 2.72Å; Q341-L344 PolarHBondContact O-N 2.83Å; Q341-L344 VanDerWaalsContact O-N 3.11Å; Q341-T345 PolarHBondContact O-N 3.24Å; Q341-T345 PolarHBondContact O-OG1 3.4Å; Q341-T345 VanDerWaalsContact O-OG1 3.08Å |
| 342 | Q | 95.2 | Very high | 93 | Very high | 117 Ų | 117 | 113 Ų | 113 | 55% | 0.547 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -59.2 | -42 | -179.7 | -171.9 | 179.9 | 1.2 | 0 | 0 | 112 | G338 T345 Q346 | G338-Q342 WeakPolarHBondContact O-CB 3.24Å; G338-Q342 PolarHBondContact O-N 3.22Å; Q342-T345 PolarHBondContact O-N 2.95Å; Q342-Q346 WeakPolarHBondContact O-CB 3.33Å; Q342-Q346 VanDerWaalsContact O-CG 3.29Å; Q342-Q346 WeakPolarHBondContact O-CG 3.17Å; Q342-Q346 PolarHBondContact O-N 3.08Å |
| 343 | R | 94.4 | Very high | 92.7 | Very high | 145 Ų | 145 | 112.5 Ų | 112.5 | 55% | 0.547 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -63.1 | -42.5 | 175.2 | -78.7 | -179 | -76 | 176.9 | -3.9 | 112.1 | Q339 Q340 Q341 Q346 R347 | Q339-R343 WeakPolarHBondContact O-CB 3.35Å; Q339-R343 VanDerWaalsContact O-CG 3.28Å; Q339-R343 WeakPolarHBondContact O-CG 3.19Å; Q339-R343 PolarHBondContact O-N 2.99Å; Q339-R343 VanDerWaalsContact O-N 3.09Å; Q339-R343 PolarHBondContact O-NE 3.09Å; Q339-R343 VanDerWaalsContact O-NE 3.09Å; Q340-R343 PolarHBondContact O-N 2.9Å; Q341-R343 VanDerWaalsContact C-N 3.32Å; Q341-R343 PolarHBondContact O-N 2.72Å; R343-Q346 PolarHBondContact O-N 3.21Å; R343-R347 WeakPolarHBondContact O-CG 2.92Å; R343-R347 PolarHBondContact O-N 3.04Å |
| 344 | L | 93.6 | Very high | 92.3 | Very high | 101 Ų | 101 | 111.6 Ų | 111.6 | 53% | 0.529 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -65 | -43.9 | 176.7 | -72 | 171.5 | 0 | 0 | 0 | 111.4 | Q340 Q341 R347 L348 | Q340-L344 HydrophobicContact CG-CD1 4.21Å; Q340-L344 WeakPolarHBondContact O-CG 3.16Å; Q340-L344 PolarHBondContact O-N 3.46Å; Q341-L344 PolarHBondContact O-N 2.83Å; Q341-L344 VanDerWaalsContact O-N 3.11Å; L344-R347 PolarHBondContact O-N 3.43Å; L344-L348 WeakPolarHBondContact O-CB 3.43Å; L344-L348 PolarHBondContact O-N 2.83Å |
| 345 | T | 94.1 | Very high | 91.8 | Very high | 63 Ų | 63 | 109.6 Ų | 109.6 | 39% | 0.387 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -62.7 | -42.3 | 175.4 | -55.9 | 0 | 0 | 0 | 0 | 111.8 | Q341 Q342 L348 N349 | Q341-T345 PolarHBondContact O-N 3.24Å; Q341-T345 PolarHBondContact O-OG1 3.4Å; Q341-T345 VanDerWaalsContact O-OG1 3.08Å; Q342-T345 PolarHBondContact O-N 2.95Å; T345-L348 PolarHBondContact O-N 2.93Å; T345-N349 WeakPolarHBondContact O-CB 3.35Å; T345-N349 VanDerWaalsContact O-CG 3.27Å; T345-N349 PolarHBondContact O-N 3.28Å |
| 346 | Q | 92.5 | Very high | 91.4 | Very high | 96 Ų | 96 | 110.1 Ų | 110.1 | 45% | 0.449 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -62.5 | -44.2 | 174.9 | -76.7 | 174.7 | -9.2 | 0 | 0 | 111.9 | Q342 R343 L348 N349 Q350 | Q342-Q346 WeakPolarHBondContact O-CB 3.33Å; Q342-Q346 VanDerWaalsContact O-CG 3.29Å; Q342-Q346 WeakPolarHBondContact O-CG 3.17Å; Q342-Q346 PolarHBondContact O-N 3.08Å; R343-Q346 PolarHBondContact O-N 3.21Å; Q346-L348 VanDerWaalsContact C-N 3.35Å; Q346-L348 PolarHBondContact O-N 2.99Å; Q346-N349 PolarHBondContact O-N 2.77Å; Q346-Q350 WeakPolarHBondContact O-CB 3.25Å; Q346-Q350 VanDerWaalsContact O-CG 3.26Å; Q346-Q350 WeakPolarHBondContact O-CG 3.2Å; Q346-Q350 PolarHBondContact O-N 3.33Å |
| 347 | R | 90.9 | Very high | 91.1 | Very high | 173 Ų | 173 | 105 Ų | 105 | 65% | 0.653 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -62.2 | -41.4 | 175.1 | -73.8 | -177.3 | 75.2 | 176.7 | 3.6 | 111.8 | R343 L344 Q350 Q351 | R343-R347 WeakPolarHBondContact O-CG 2.92Å; R343-R347 PolarHBondContact O-N 3.04Å; L344-R347 PolarHBondContact O-N 3.43Å; R347-Q350 PolarHBondContact O-N 2.95Å; R347-Q351 VanDerWaalsContact O-CG 3.29Å; R347-Q351 WeakPolarHBondContact O-CG 3.49Å; R347-Q351 PolarHBondContact O-N 2.92Å |
| 348 | L | 90.1 | Very high | 90.9 | Very high | 126 Ų | 126 | 108.1 Ų | 108.1 | 66% | 0.66 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -61.7 | -46.8 | 176.1 | -176.6 | 65.9 | 0 | 0 | 0 | 111.2 | L344 T345 Q346 Q350 Q351 N352 | L344-L348 WeakPolarHBondContact O-CB 3.43Å; L344-L348 PolarHBondContact O-N 2.83Å; T345-L348 PolarHBondContact O-N 2.93Å; Q346-L348 VanDerWaalsContact C-N 3.35Å; Q346-L348 PolarHBondContact O-N 2.99Å; L348-Q350 PolarHBondContact O-N 3.35Å; L348-Q351 CarbonylContact O-C 3.59Å; L348-Q351 PolarHBondContact O-N 3.48Å; L348-Q351 VanDerWaalsContact O-N 3.17Å; L348-N352 PolarHBondContact O-N 2.96Å |
| 349 | N | 88.6 | Confident | 90.7 | Very high | 106 Ų | 106 | 115.7 Ų | 115.7 | 57% | 0.567 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -65.4 | -36.6 | 178.8 | -71.7 | -12.9 | 0 | 0 | 0 | 112.5 | T345 Q346 Q351 N352 | T345-N349 WeakPolarHBondContact O-CB 3.35Å; T345-N349 VanDerWaalsContact O-CG 3.27Å; T345-N349 PolarHBondContact O-N 3.28Å; Q346-N349 PolarHBondContact O-N 2.77Å; N349-Q351 VanDerWaalsContact C-N 3.29Å; N349-Q351 PolarHBondContact O-N 3.47Å; N349-N352 WeakPolarHBondContact O-CB 3.45Å; N349-N352 PolarHBondContact O-N 3.48Å |
| 350 | Q | 85.9 | Confident | 90.6 | Very high | 154 Ų | 154 | 113.9 Ų | 113.9 | 72% | 0.72 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -68.4 | -28.4 | 174.6 | -74.1 | 173.1 | 3.6 | 0 | 0 | 112.9 | Q346 R347 L348 N352 | Q346-Q350 WeakPolarHBondContact O-CB 3.25Å; Q346-Q350 VanDerWaalsContact O-CG 3.26Å; Q346-Q350 WeakPolarHBondContact O-CG 3.2Å; Q346-Q350 PolarHBondContact O-N 3.33Å; R347-Q350 PolarHBondContact O-N 2.95Å; L348-Q350 PolarHBondContact O-N 3.35Å; Q350-N352 VanDerWaalsContact C-N 3.27Å |
| 351 | Q | 85.4 | Confident | 90.6 | Very high | 141 Ų | 141 | 113 Ų | 113 | 66% | 0.659 | 54% | 0.543 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85 | 2.8 | 174.9 | -67.6 | -68 | -9.3 | 0 | 0 | 113 | R347 L348 N349 P353 | R347-Q351 VanDerWaalsContact O-CG 3.29Å; R347-Q351 WeakPolarHBondContact O-CG 3.49Å; R347-Q351 PolarHBondContact O-N 2.92Å; L348-Q351 CarbonylContact O-C 3.59Å; L348-Q351 PolarHBondContact O-N 3.48Å; L348-Q351 VanDerWaalsContact O-N 3.17Å; N349-Q351 VanDerWaalsContact C-N 3.29Å; N349-Q351 PolarHBondContact O-N 3.47Å; Q351-P353 VanDerWaalsContact O-CD 3.3Å; Q351-P353 WeakPolarHBondContact O-CD 3.4Å; Q351-P353 VanDerWaalsContact O-N 3.14Å |
| 352 | N | 85.4 | Confident | 90.5 | Very high | 77 Ų | 77 | 109 Ų | 109 | 41% | 0.412 | 53% | 0.528 | S | S | . | . | trans | -59 | 118.6 | 176.9 | -174.7 | -11.6 | 0 | 0 | 0 | 109.8 | L348 N349 Q350 Q354 P355 | L348-N352 PolarHBondContact O-N 2.96Å; N349-N352 WeakPolarHBondContact O-CB 3.45Å; N349-N352 PolarHBondContact O-N 3.48Å; Q350-N352 VanDerWaalsContact C-N 3.27Å; N352-Q354 PolarHBondContact O-N 3.43Å; N352-Q354 VanDerWaalsContact OD1-CB 3.29Å; N352-Q354 WeakPolarHBondContact OD1-CB 3.4Å; N352-Q354 WeakPolarHBondContact OD1-CG 3.25Å; N352-Q354 PolarHBondContact OD1-N 3.45Å; N352-P355 VanDerWaalsContact O-CD 3.3Å; N352-P355 WeakPolarHBondContact O-CD 3.39Å | ||
| 353 | P | 88.5 | Confident | 90.5 | Very high | 74 Ų | 74 | 111.5 Ų | 111.5 | 48% | 0.481 | 53% | 0.532 | S | S | . | . | S | Bend | trans | -74.9 | -13.6 | -176.8 | 30.6 | -35.7 | 0 | 0 | 0 | 112.9 | Q351 K356 I357 | Q351-P353 VanDerWaalsContact O-CD 3.3Å; Q351-P353 WeakPolarHBondContact O-CD 3.4Å; Q351-P353 VanDerWaalsContact O-N 3.14Å; P353-K356 CarbonylContact O-C 3.48Å; P353-K356 WeakPolarHBondContact O-CA 3.35Å; P353-K356 WeakPolarHBondContact O-CB 3.37Å; P353-K356 PolarHBondContact O-N 2.92Å; P353-I357 HydrophobicContact CB-CD1 4.01Å; P353-I357 HydrophobicContact CB-CG1 4.41Å; P353-I357 HydrophobicContact CG-CD1 4.3Å; P353-I357 WeakPolarHBondContact O-CG1 3.39Å; P353-I357 PolarHBondContact O-N 2.9Å |
| 354 | Q | 87.6 | Confident | 90.5 | Very high | 115 Ų | 115 | 109 Ų | 109 | 54% | 0.537 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -52.1 | -48.5 | -175.4 | -82.6 | -69.6 | -12.2 | 0 | 0 | 114 | N352 K356 I357 H358 | N352-Q354 PolarHBondContact O-N 3.43Å; N352-Q354 VanDerWaalsContact OD1-CB 3.29Å; N352-Q354 WeakPolarHBondContact OD1-CB 3.4Å; N352-Q354 WeakPolarHBondContact OD1-CG 3.25Å; N352-Q354 PolarHBondContact OD1-N 3.45Å; Q354-K356 VanDerWaalsContact C-N 3.31Å; Q354-K356 PolarHBondContact O-N 2.82Å; Q354-I357 PolarHBondContact O-N 3.37Å; Q354-H358 WeakPolarHBondContact O-CB 3.37Å; Q354-H358 PolarHBondContact O-N 3.3Å |
| 355 | P | 85.5 | Confident | 90.5 | Very high | 74 Ų | 74 | 110 Ų | 110 | 48% | 0.481 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -64.3 | -33.9 | 176.5 | -21.9 | 34.4 | 0 | 0 | 0 | 113.3 | N352 R359 | N352-P355 VanDerWaalsContact O-CD 3.3Å; N352-P355 WeakPolarHBondContact O-CD 3.39Å; P355-R359 WeakPolarHBondContact O-CB 3.48Å; P355-R359 VanDerWaalsContact O-CG 3.27Å; P355-R359 WeakPolarHBondContact O-CG 3.28Å; P355-R359 PolarHBondContact O-N 3.41Å |
| 356 | K | 87.6 | Confident | 90.5 | Very high | 147 Ų | 147 | 113 Ų | 113 | 64% | 0.639 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -69.1 | -42 | 175.5 | -69 | -177.7 | -179.7 | 174.8 | 0 | 110.9 | P353 Q354 R359 A360 | P353-K356 CarbonylContact O-C 3.48Å; P353-K356 WeakPolarHBondContact O-CA 3.35Å; P353-K356 WeakPolarHBondContact O-CB 3.37Å; P353-K356 PolarHBondContact O-N 2.92Å; Q354-K356 VanDerWaalsContact C-N 3.31Å; Q354-K356 PolarHBondContact O-N 2.82Å; K356-R359 PolarHBondContact O-N 3.16Å; K356-A360 WeakPolarHBondContact O-CB 3.42Å; K356-A360 PolarHBondContact O-N 3.42Å |
| 357 | I | 90.7 | Very high | 90.7 | Very high | 74 Ų | 74 | 113.2 Ų | 113.2 | 38% | 0.379 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -61.8 | -48.2 | 175.1 | -67 | 167.8 | 0 | 0 | 0 | 109.8 | P353 Q354 R359 A360 Q361 | P353-I357 HydrophobicContact CB-CD1 4.01Å; P353-I357 HydrophobicContact CB-CG1 4.41Å; P353-I357 HydrophobicContact CG-CD1 4.3Å; P353-I357 WeakPolarHBondContact O-CG1 3.39Å; P353-I357 PolarHBondContact O-N 2.9Å; Q354-I357 PolarHBondContact O-N 3.37Å; I357-R359 PolarHBondContact O-N 2.92Å; I357-A360 CarbonylContact O-C 3.6Å; I357-A360 WeakPolarHBondContact O-CB 3.26Å; I357-A360 PolarHBondContact O-N 2.82Å; I357-A360 VanDerWaalsContact O-N 3.11Å; I357-Q361 HydrophobicContact CG2-CG 4.29Å; I357-Q361 WeakPolarHBondContact O-CB 3.34Å; I357-Q361 WeakPolarHBondContact O-CG 3.35Å; I357-Q361 PolarHBondContact O-N 2.85Å |
| 358 | H | 91.4 | Very high | 90.9 | Very high | 119 Ų | 119 | 110.6 Ų | 110.6 | 55% | 0.551 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -61.8 | -41.5 | 179.2 | -168.8 | 62.6 | 0 | 0 | 0 | 112.3 | Q354 Q361 T362 | Q354-H358 WeakPolarHBondContact O-CB 3.37Å; Q354-H358 PolarHBondContact O-N 3.3Å; H358-Q361 PolarHBondContact O-N 3.49Å; H358-T362 WeakPolarHBondContact O-CB 3.47Å; H358-T362 PolarHBondContact O-N 2.96Å; H358-T362 PolarHBondContact O-OG1 3.25Å |
| 359 | R | 92.1 | Very high | 91.1 | Very high | 189 Ų | 189 | 112.3 Ų | 112.3 | 71% | 0.713 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -62.2 | -41.8 | 172.2 | -74.2 | 175.7 | -172.2 | 176.8 | 3.3 | 112.3 | P355 K356 I357 R363 | P355-R359 WeakPolarHBondContact O-CB 3.48Å; P355-R359 VanDerWaalsContact O-CG 3.27Å; P355-R359 WeakPolarHBondContact O-CG 3.28Å; P355-R359 PolarHBondContact O-N 3.41Å; K356-R359 PolarHBondContact O-N 3.16Å; I357-R359 PolarHBondContact O-N 2.92Å; R359-R363 WeakPolarHBondContact O-CB 3.23Å; R359-R363 PolarHBondContact O-N 3.2Å |
| 360 | A | 92.9 | Very high | 91.3 | Very high | 50 Ų | 50 | 115.4 Ų | 115.4 | 41% | 0.413 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -66.1 | -43.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | K356 I357 R363 I364 | K356-A360 WeakPolarHBondContact O-CB 3.42Å; K356-A360 PolarHBondContact O-N 3.42Å; I357-A360 CarbonylContact O-C 3.6Å; I357-A360 WeakPolarHBondContact O-CB 3.26Å; I357-A360 PolarHBondContact O-N 2.82Å; I357-A360 VanDerWaalsContact O-N 3.11Å; A360-R363 WeakPolarHBondContact O-CB 3.46Å; A360-R363 PolarHBondContact O-N 2.93Å; A360-I364 WeakPolarHBondContact O-CG1 3.19Å; A360-I364 PolarHBondContact O-N 3.48Å |
| 361 | Q | 94.3 | Very high | 91.7 | Very high | 100 Ų | 100 | 113.2 Ų | 113.2 | 47% | 0.467 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -60.7 | -46.2 | 174.3 | -74.4 | 173.8 | -27.5 | 0 | 0 | 111.6 | I357 H358 R363 I364 Q365 | I357-Q361 HydrophobicContact CG2-CG 4.29Å; I357-Q361 WeakPolarHBondContact O-CB 3.34Å; I357-Q361 WeakPolarHBondContact O-CG 3.35Å; I357-Q361 PolarHBondContact O-N 2.85Å; H358-Q361 PolarHBondContact O-N 3.49Å; Q361-R363 VanDerWaalsContact C-N 3.28Å; Q361-R363 PolarHBondContact O-N 3.35Å; Q361-I364 PolarHBondContact O-N 2.94Å; Q361-I364 VanDerWaalsContact O-N 3.16Å; Q361-Q365 WeakPolarHBondContact O-CG 3.38Å; Q361-Q365 PolarHBondContact O-N 2.92Å |
| 362 | T | 94.2 | Very high | 92.2 | Very high | 48 Ų | 48 | 108.5 Ų | 108.5 | 29% | 0.294 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -60.5 | -40.8 | 175.9 | -51.6 | 0 | 0 | 0 | 0 | 110.9 | H358 Q365 Q366 | H358-T362 WeakPolarHBondContact O-CB 3.47Å; H358-T362 PolarHBondContact O-N 2.96Å; H358-T362 PolarHBondContact O-OG1 3.25Å; T362-Q365 PolarHBondContact O-N 3.4Å; T362-Q366 VanDerWaalsContact O-CG 3.3Å; T362-Q366 WeakPolarHBondContact O-CG 3.5Å; T362-Q366 PolarHBondContact O-N 3.43Å |
| 363 | R | 94.8 | Very high | 92.5 | Very high | 169 Ų | 169 | 109 Ų | 109 | 64% | 0.638 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -64.5 | -40.3 | 175.8 | -175.5 | 174.3 | -178.4 | 156.7 | 0.4 | 112 | R359 A360 Q361 Q366 L367 | R359-R363 WeakPolarHBondContact O-CB 3.23Å; R359-R363 PolarHBondContact O-N 3.2Å; A360-R363 WeakPolarHBondContact O-CB 3.46Å; A360-R363 PolarHBondContact O-N 2.93Å; Q361-R363 VanDerWaalsContact C-N 3.28Å; Q361-R363 PolarHBondContact O-N 3.35Å; R363-Q366 PolarHBondContact O-N 3.47Å; R363-L367 HydrophobicContact CG-CD1 4.09Å; R363-L367 WeakPolarHBondContact O-CB 3.33Å; R363-L367 WeakPolarHBondContact O-CG 3.36Å; R363-L367 PolarHBondContact O-N 3.11Å |
| 364 | I | 94.4 | Very high | 92.8 | Very high | 92 Ų | 92 | 109.8 Ų | 109.8 | 47% | 0.472 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -61.3 | -50.5 | 174.6 | -70.8 | 166.9 | 0 | 0 | 0 | 109.8 | A360 Q361 Q366 L367 E368 | A360-I364 WeakPolarHBondContact O-CG1 3.19Å; A360-I364 PolarHBondContact O-N 3.48Å; Q361-I364 PolarHBondContact O-N 2.94Å; Q361-I364 VanDerWaalsContact O-N 3.16Å; I364-Q366 VanDerWaalsContact C-N 3.31Å; I364-Q366 PolarHBondContact O-N 3.48Å; I364-L367 CarbonylContact O-C 3.53Å; I364-L367 WeakPolarHBondContact O-CB 3.44Å; I364-L367 PolarHBondContact O-N 3.49Å; I364-E368 HydrophobicContact CG2-CG 4.21Å; I364-E368 WeakPolarHBondContact O-CG 3.37Å; I364-E368 PolarHBondContact O-N 3.03Å |
| 365 | Q | 94.6 | Very high | 93.1 | Very high | 124 Ų | 124 | 108.5 Ų | 108.5 | 58% | 0.579 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -57.7 | -42.2 | 178.3 | -72.7 | 176.2 | -15.1 | 0 | 0 | 112.6 | Q361 T362 E368 Y369 | Q361-Q365 WeakPolarHBondContact O-CG 3.38Å; Q361-Q365 PolarHBondContact O-N 2.92Å; T362-Q365 PolarHBondContact O-N 3.4Å; Q365-E368 PolarHBondContact O-N 3.11Å; Q365-Y369 WeakPolarHBondContact O-CB 3.32Å; Q365-Y369 PolarHBondContact O-N 3Å |
| 366 | Q | 94.2 | Very high | 93.5 | Very high | 126 Ų | 126 | 113 Ų | 113 | 59% | 0.589 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -63.7 | -40.9 | 175.2 | -74.1 | 173.6 | -7 | 0 | 0 | 112.3 | T362 R363 I364 R370 | T362-Q366 VanDerWaalsContact O-CG 3.3Å; T362-Q366 WeakPolarHBondContact O-CG 3.5Å; T362-Q366 PolarHBondContact O-N 3.43Å; R363-Q366 PolarHBondContact O-N 3.47Å; I364-Q366 VanDerWaalsContact C-N 3.31Å; I364-Q366 PolarHBondContact O-N 3.48Å; Q366-R370 WeakPolarHBondContact O-CB 3.18Å; Q366-R370 PolarHBondContact O-N 2.77Å |
| 367 | L | 95 | Very high | 93.6 | Very high | 99 Ų | 99 | 108.8 Ų | 108.8 | 52% | 0.518 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -68.1 | -40.5 | 177.5 | -72.4 | 170.7 | 0 | 0 | 0 | 111.7 | R363 I364 R370 L371 | R363-L367 HydrophobicContact CG-CD1 4.09Å; R363-L367 WeakPolarHBondContact O-CB 3.33Å; R363-L367 WeakPolarHBondContact O-CG 3.36Å; R363-L367 PolarHBondContact O-N 3.11Å; I364-L367 CarbonylContact O-C 3.53Å; I364-L367 WeakPolarHBondContact O-CB 3.44Å; I364-L367 PolarHBondContact O-N 3.49Å; L367-R370 PolarHBondContact O-N 3.41Å; L367-L371 WeakPolarHBondContact O-CB 3.48Å; L367-L371 PolarHBondContact O-N 2.79Å |
| 368 | E | 95.4 | Very high | 93.8 | Very high | 119 Ų | 119 | 111.1 Ų | 111.1 | 56% | 0.556 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -62.3 | -46.8 | 174.8 | -73.7 | 175.5 | 159.3 | 0 | 0 | 111.5 | I364 Q365 R370 L371 A372 | I364-E368 HydrophobicContact CG2-CG 4.21Å; I364-E368 WeakPolarHBondContact O-CG 3.37Å; I364-E368 PolarHBondContact O-N 3.03Å; Q365-E368 PolarHBondContact O-N 3.11Å; E368-R370 VanDerWaalsContact C-N 3.35Å; E368-R370 PolarHBondContact O-N 3.3Å; E368-L371 PolarHBondContact O-N 2.84Å; E368-A372 PolarHBondContact O-N 2.86Å |
| 369 | Y | 94.1 | Very high | 93.9 | Very high | 161 Ų | 161 | 110.6 Ų | 110.6 | 63% | 0.631 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -59.3 | -46.3 | 175.3 | -177.9 | -93.8 | 0 | 0 | 0 | 111.4 | Q365 L371 A372 E373 | Q365-Y369 WeakPolarHBondContact O-CB 3.32Å; Q365-Y369 PolarHBondContact O-N 3Å; Y369-L371 PolarHBondContact O-N 3.04Å; Y369-A372 PolarHBondContact O-N 2.92Å; Y369-E373 HydrophobicContact CD1-CG 4.29Å; Y369-E373 HydrophobicContact CE1-CG 3.8Å; Y369-E373 PolarHBondContact O-N 2.84Å |
| 370 | R | 93.7 | Very high | 93.8 | Very high | 171 Ų | 171 | 104.9 Ų | 104.9 | 65% | 0.645 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -64 | -39.3 | 178.3 | -170.1 | 175.6 | -175.4 | 178.8 | 1.3 | 112.2 | Q366 L367 E368 I374 | Q366-R370 WeakPolarHBondContact O-CB 3.18Å; Q366-R370 PolarHBondContact O-N 2.77Å; L367-R370 PolarHBondContact O-N 3.41Å; E368-R370 VanDerWaalsContact C-N 3.35Å; E368-R370 PolarHBondContact O-N 3.3Å; R370-I374 HydrophobicContact CG-CD1 4.06Å; R370-I374 VanDerWaalsContact O-CG1 3.26Å; R370-I374 WeakPolarHBondContact O-CG1 3.43Å; R370-I374 PolarHBondContact O-N 3.01Å |
| 371 | L | 94.5 | Very high | 93.8 | Very high | 108 Ų | 108 | 104 Ų | 104 | 57% | 0.565 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -61.9 | -47.5 | 175.3 | -177.6 | 76.2 | 0 | 0 | 0 | 110.8 | L367 E368 Y369 E373 I374 L375 | L367-L371 WeakPolarHBondContact O-CB 3.48Å; L367-L371 PolarHBondContact O-N 2.79Å; E368-L371 PolarHBondContact O-N 2.84Å; Y369-L371 PolarHBondContact O-N 3.04Å; L371-E373 PolarHBondContact O-N 3.13Å; L371-I374 PolarHBondContact O-N 2.95Å; L371-L375 HydrophobicContact CG-CD1 4.06Å; L371-L375 WeakPolarHBondContact O-CB 3.31Å; L371-L375 WeakPolarHBondContact O-CG 3.39Å; L371-L375 PolarHBondContact O-N 2.71Å |
| 372 | A | 94.5 | Very high | 93.6 | Very high | 43 Ų | 43 | 102.9 Ų | 102.9 | 36% | 0.355 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.4 | -42.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | E368 Y369 L375 R376 | E368-A372 PolarHBondContact O-N 2.86Å; Y369-A372 PolarHBondContact O-N 2.92Å; A372-L375 PolarHBondContact O-N 3.04Å; A372-R376 WeakPolarHBondContact O-CB 3.32Å; A372-R376 WeakPolarHBondContact O-CG 3.11Å; A372-R376 PolarHBondContact O-N 3.14Å |
| 373 | E | 93.8 | Very high | 93.4 | Very high | 86 Ų | 86 | 110 Ų | 110 | 40% | 0.402 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -62 | -45.7 | 175.2 | -80.6 | -69.1 | 109.6 | 0 | 0 | 112.1 | Y369 L371 L375 R376 A377 | Y369-E373 HydrophobicContact CD1-CG 4.29Å; Y369-E373 HydrophobicContact CE1-CG 3.8Å; Y369-E373 PolarHBondContact O-N 2.84Å; L371-E373 PolarHBondContact O-N 3.13Å; E373-L375 PolarHBondContact O-N 3.45Å; E373-R376 PolarHBondContact O-N 2.88Å; E373-R376 IonicContact OE1-NH1 3.91Å; E373-A377 WeakPolarHBondContact O-CB 3.46Å; E373-A377 PolarHBondContact O-N 2.83Å |
| 374 | I | 94 | Very high | 93.1 | Very high | 92 Ų | 92 | 108.3 Ų | 108.3 | 47% | 0.472 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -63.3 | -44.4 | 177.7 | -68.8 | 167.5 | 0 | 0 | 0 | 110.8 | R370 L371 R376 A377 Q378 | R370-I374 HydrophobicContact CG-CD1 4.06Å; R370-I374 VanDerWaalsContact O-CG1 3.26Å; R370-I374 WeakPolarHBondContact O-CG1 3.43Å; R370-I374 PolarHBondContact O-N 3.01Å; L371-I374 PolarHBondContact O-N 2.95Å; I374-R376 PolarHBondContact O-N 2.84Å; I374-A377 PolarHBondContact O-N 3.18Å; I374-Q378 WeakPolarHBondContact O-CB 3.49Å; I374-Q378 PolarHBondContact O-N 2.88Å |
| 375 | L | 93.1 | Very high | 92.8 | Very high | 87 Ų | 87 | 112.7 Ų | 112.7 | 46% | 0.455 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -61.6 | -43.7 | 177.4 | -75.9 | 171.9 | 0 | 0 | 0 | 111.7 | L371 A372 E373 Q378 L379 | L371-L375 HydrophobicContact CG-CD1 4.06Å; L371-L375 WeakPolarHBondContact O-CB 3.31Å; L371-L375 WeakPolarHBondContact O-CG 3.39Å; L371-L375 PolarHBondContact O-N 2.71Å; A372-L375 PolarHBondContact O-N 3.04Å; E373-L375 PolarHBondContact O-N 3.45Å; L375-Q378 PolarHBondContact O-N 2.88Å; L375-L379 WeakPolarHBondContact O-CB 2.99Å; L375-L379 WeakPolarHBondContact O-CG 3.29Å; L375-L379 PolarHBondContact O-N 2.94Å |
| 376 | R | 93.6 | Very high | 92.6 | Very high | 170 Ų | 170 | 113.8 Ų | 113.8 | 64% | 0.642 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -61.2 | -47.7 | 175.2 | -77.3 | 177.1 | -176.4 | -178 | 0 | 111.6 | A372 E373 I374 Q378 L379 S380 | A372-R376 WeakPolarHBondContact O-CB 3.32Å; A372-R376 WeakPolarHBondContact O-CG 3.11Å; A372-R376 PolarHBondContact O-N 3.14Å; E373-R376 PolarHBondContact O-N 2.88Å; E373-R376 IonicContact OE1-NH1 3.91Å; I374-R376 PolarHBondContact O-N 2.84Å; R376-Q378 VanDerWaalsContact C-N 3.35Å; R376-Q378 PolarHBondContact O-N 2.92Å; R376-L379 PolarHBondContact O-N 3.36Å; R376-S380 WeakPolarHBondContact O-CB 3.19Å; R376-S380 PolarHBondContact O-N 2.88Å; R376-S380 PolarHBondContact O-OG 3.27Å |
| 377 | A | 91.3 | Very high | 92.1 | Very high | 57 Ų | 57 | 109.3 Ų | 109.3 | 47% | 0.471 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -59.6 | -45.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | E373 I374 S380 A381 | E373-A377 WeakPolarHBondContact O-CB 3.46Å; E373-A377 PolarHBondContact O-N 2.83Å; I374-A377 PolarHBondContact O-N 3.18Å; A377-S380 PolarHBondContact O-N 2.8Å; A377-S380 PolarHBondContact O-OG 2.88Å; A377-A381 PolarHBondContact O-N 3.27Å |
| 378 | Q | 93.6 | Very high | 91.6 | Very high | 123 Ų | 123 | 108.8 Ų | 108.8 | 58% | 0.575 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -66.4 | -41.6 | -179.9 | -166 | 173.1 | 5 | 0 | 0 | 112.4 | I374 L375 R376 T382 | I374-Q378 WeakPolarHBondContact O-CB 3.49Å; I374-Q378 PolarHBondContact O-N 2.88Å; L375-Q378 PolarHBondContact O-N 2.88Å; R376-Q378 VanDerWaalsContact C-N 3.35Å; R376-Q378 PolarHBondContact O-N 2.92Å; Q378-T382 WeakPolarHBondContact O-CB 3.48Å; Q378-T382 PolarHBondContact O-N 3.12Å; Q378-T382 PolarHBondContact O-OG1 2.89Å |
| 379 | L | 93 | Very high | 91 | Very high | 108 Ų | 108 | 105.9 Ų | 105.9 | 57% | 0.565 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -64.4 | -40.9 | 174.1 | -78.2 | 166.5 | 0 | 0 | 0 | 112 | L375 R376 T382 R383 | L375-L379 WeakPolarHBondContact O-CB 2.99Å; L375-L379 WeakPolarHBondContact O-CG 3.29Å; L375-L379 PolarHBondContact O-N 2.94Å; R376-L379 PolarHBondContact O-N 3.36Å; L379-T382 PolarHBondContact O-N 2.84Å; L379-R383 WeakPolarHBondContact O-CB 3.31Å; L379-R383 WeakPolarHBondContact O-CG 3.47Å; L379-R383 PolarHBondContact O-N 3.41Å |
| 380 | S | 91.8 | Very high | 90.4 | Very high | 69 Ų | 69 | 100.8 Ų | 100.8 | 48% | 0.483 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.2 | -47.6 | 177.6 | 72.4 | 0 | 0 | 0 | 0 | 111.7 | R376 A377 T382 R383 E384 | R376-S380 WeakPolarHBondContact O-CB 3.19Å; R376-S380 PolarHBondContact O-N 2.88Å; R376-S380 PolarHBondContact O-OG 3.27Å; A377-S380 PolarHBondContact O-N 2.8Å; A377-S380 PolarHBondContact O-OG 2.88Å; S380-T382 VanDerWaalsContact C-N 3.28Å; S380-T382 PolarHBondContact O-N 2.89Å; S380-R383 PolarHBondContact O-N 2.88Å; S380-E384 WeakPolarHBondContact O-CB 3.5Å; S380-E384 PolarHBondContact O-N 3.49Å |
| 381 | A | 91.1 | Very high | 89.7 | Confident | 33 Ų | 33 | 96.4 Ų | 96.4 | 27% | 0.273 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.4 | -36.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112 | A377 R385 | A377-A381 PolarHBondContact O-N 3.27Å; A381-R385 VanDerWaalsContact O-CG 3.3Å; A381-R385 WeakPolarHBondContact O-CG 3.49Å; A381-R385 PolarHBondContact O-N 3.01Å |
| 382 | T | 91.4 | Very high | 88.9 | Confident | 76 Ų | 76 | 98 Ų | 98 | 47% | 0.466 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -69.7 | -41.9 | 176.6 | -52.1 | 0 | 0 | 0 | 0 | 111.5 | Q378 L379 S380 R385 F386 | Q378-T382 WeakPolarHBondContact O-CB 3.48Å; Q378-T382 PolarHBondContact O-N 3.12Å; Q378-T382 PolarHBondContact O-OG1 2.89Å; L379-T382 PolarHBondContact O-N 2.84Å; S380-T382 VanDerWaalsContact C-N 3.28Å; S380-T382 PolarHBondContact O-N 2.89Å; T382-R385 PolarHBondContact O-N 2.83Å; T382-F386 WeakPolarHBondContact O-CB 3.42Å; T382-F386 PolarHBondContact O-N 3.12Å |
| 383 | R | 90 | Very high | 88 | Confident | 197 Ų | 197 | 102.3 Ų | 102.3 | 74% | 0.743 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -62.5 | -41.5 | 174.2 | -81.7 | -179.6 | 176 | 168.7 | -1 | 112.2 | L379 S380 F386 G387 | L379-R383 WeakPolarHBondContact O-CB 3.31Å; L379-R383 WeakPolarHBondContact O-CG 3.47Å; L379-R383 PolarHBondContact O-N 3.41Å; S380-R383 PolarHBondContact O-N 2.88Å; R383-F386 PolarHBondContact O-N 3.46Å; R383-G387 PolarHBondContact O-N 3.38Å |
| 384 | E | 89 | Confident | 86.8 | Confident | 134 Ų | 134 | 104.2 Ų | 104.2 | 63% | 0.626 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -63.4 | -47.3 | 177.3 | -170.4 | -175 | 176.1 | 0 | 0 | 111.3 | S380 F386 G387 N388 | S380-E384 WeakPolarHBondContact O-CB 3.5Å; S380-E384 PolarHBondContact O-N 3.49Å; E384-F386 VanDerWaalsContact C-N 3.3Å; E384-F386 PolarHBondContact O-N 2.82Å; E384-G387 PolarHBondContact O-N 3.39Å; E384-N388 WeakPolarHBondContact O-CB 3.45Å; E384-N388 VanDerWaalsContact O-CG 3.29Å; E384-N388 PolarHBondContact O-N 2.78Å; E384-N388 PolarHBondContact O-ND2 2.85Å |
| 385 | R | 88 | Confident | 85.6 | Confident | 184 Ų | 184 | 103.3 Ų | 103.3 | 69% | 0.694 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -58 | -42.5 | 173.6 | -72.3 | 177.8 | -158.5 | 169.8 | 4.9 | 112.2 | A381 T382 A389 | A381-R385 VanDerWaalsContact O-CG 3.3Å; A381-R385 WeakPolarHBondContact O-CG 3.49Å; A381-R385 PolarHBondContact O-N 3.01Å; T382-R385 PolarHBondContact O-N 2.83Å; R385-A389 WeakPolarHBondContact O-CB 3.41Å; R385-A389 PolarHBondContact O-N 2.72Å |
| 386 | F | 88.8 | Confident | 84.5 | Confident | 147 Ų | 147 | 104.9 Ų | 104.9 | 65% | 0.645 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -65.4 | -46.5 | 177.7 | -179 | -98.7 | 0 | 0 | 0 | 111.8 | T382 R383 E384 N388 A389 V390 | T382-F386 WeakPolarHBondContact O-CB 3.42Å; T382-F386 PolarHBondContact O-N 3.12Å; R383-F386 PolarHBondContact O-N 3.46Å; E384-F386 VanDerWaalsContact C-N 3.3Å; E384-F386 PolarHBondContact O-N 2.82Å; F386-N388 VanDerWaalsContact C-N 3.35Å; F386-N388 PolarHBondContact O-N 3.21Å; F386-A389 WeakPolarHBondContact O-CB 3.42Å; F386-A389 PolarHBondContact O-N 2.94Å; F386-A389 VanDerWaalsContact O-N 3.16Å; F386-V390 HydrophobicContact CD1-CG2 4.23Å; F386-V390 HydrophobicContact CE1-CG2 3.8Å; F386-V390 HydrophobicContact CE2-CG2 4.43Å; F386-V390 HydrophobicContact CZ-CG2 3.91Å; F386-V390 WeakPolarHBondContact O-CG2 3.29Å; F386-V390 PolarHBondContact O-N 2.9Å |
| 387 | G | 84.9 | Confident | 82.9 | Confident | 32 Ų | 32 | 98.6 Ų | 98.6 | 33% | 0.33 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -58.1 | -46.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112 | R383 E384 A389 V390 T391 | R383-G387 PolarHBondContact O-N 3.38Å; E384-G387 PolarHBondContact O-N 3.39Å; G387-A389 VanDerWaalsContact C-N 3.32Å; G387-A389 PolarHBondContact O-N 2.91Å; G387-V390 PolarHBondContact O-N 2.88Å; G387-V390 VanDerWaalsContact O-N 3.16Å; G387-T391 PolarHBondContact O-N 3.04Å; G387-T391 PolarHBondContact O-OG1 2.76Å; G387-T391 VanDerWaalsContact O-OG1 3.05Å |
| 388 | N | 84.9 | Confident | 81.6 | Confident | 87 Ų | 87 | 100.7 Ų | 100.7 | 47% | 0.465 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -59.7 | -41.4 | 175.9 | -71.5 | -21.6 | 0 | 0 | 0 | 112 | E384 F386 T391 H392 | E384-N388 WeakPolarHBondContact O-CB 3.45Å; E384-N388 VanDerWaalsContact O-CG 3.29Å; E384-N388 PolarHBondContact O-N 2.78Å; E384-N388 PolarHBondContact O-ND2 2.85Å; F386-N388 VanDerWaalsContact C-N 3.35Å; F386-N388 PolarHBondContact O-N 3.21Å; N388-T391 VanDerWaalsContact CA-OG1 3.31Å; N388-T391 WeakPolarHBondContact CA-OG1 3.5Å; N388-T391 PolarHBondContact O-N 3.25Å; N388-T391 PolarHBondContact O-OG1 3.34Å; N388-H392 WeakPolarHBondContact O-CB 3.45Å; N388-H392 PolarHBondContact O-CD2 2.92Å; N388-H392 VanDerWaalsContact O-CD2 3.29Å; N388-H392 PolarHBondContact O-N 3.35Å |
| 389 | A | 81.4 | Confident | 80.2 | Confident | 58 Ų | 58 | 100.6 Ų | 100.6 | 48% | 0.479 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -64 | -39.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | R385 F386 G387 H392 L393 | R385-A389 WeakPolarHBondContact O-CB 3.41Å; R385-A389 PolarHBondContact O-N 2.72Å; F386-A389 WeakPolarHBondContact O-CB 3.42Å; F386-A389 PolarHBondContact O-N 2.94Å; F386-A389 VanDerWaalsContact O-N 3.16Å; G387-A389 VanDerWaalsContact C-N 3.32Å; G387-A389 PolarHBondContact O-N 2.91Å; A389-H392 PolarHBondContact O-N 2.97Å; A389-L393 PolarHBondContact O-N 2.75Å |
| 390 | V | 82.3 | Confident | 78.8 | Confident | 55 Ų | 55 | 97 Ų | 97 | 33% | 0.333 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -66.2 | -46.7 | 175.7 | 173 | 0 | 0 | 0 | 0 | 111.4 | F386 G387 H392 L393 E394 | F386-V390 HydrophobicContact CD1-CG2 4.23Å; F386-V390 HydrophobicContact CE1-CG2 3.8Å; F386-V390 HydrophobicContact CE2-CG2 4.43Å; F386-V390 HydrophobicContact CZ-CG2 3.91Å; F386-V390 WeakPolarHBondContact O-CG2 3.29Å; F386-V390 PolarHBondContact O-N 2.9Å; G387-V390 PolarHBondContact O-N 2.88Å; G387-V390 VanDerWaalsContact O-N 3.16Å; V390-H392 VanDerWaalsContact C-N 3.27Å; V390-H392 PolarHBondContact O-N 3.4Å; V390-L393 WeakPolarHBondContact O-CA 3.35Å; V390-L393 WeakPolarHBondContact O-CB 3.49Å; V390-L393 PolarHBondContact O-N 3.16Å; V390-E394 PolarHBondContact O-N 2.97Å |
| 391 | T | 78.8 | Confident | 77.6 | Confident | 79 Ų | 79 | 97.1 Ų | 97.1 | 49% | 0.485 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -62 | -35.6 | 176.2 | 39.8 | 0 | 0 | 0 | 0 | 112.5 | G387 N388 L393 E394 A395 | G387-T391 PolarHBondContact O-N 3.04Å; G387-T391 PolarHBondContact O-OG1 2.76Å; G387-T391 VanDerWaalsContact O-OG1 3.05Å; N388-T391 VanDerWaalsContact CA-OG1 3.31Å; N388-T391 WeakPolarHBondContact CA-OG1 3.5Å; N388-T391 PolarHBondContact O-N 3.25Å; N388-T391 PolarHBondContact O-OG1 3.34Å; T391-L393 VanDerWaalsContact C-N 3.34Å; T391-E394 PolarHBondContact O-N 3.09Å; T391-A395 WeakPolarHBondContact O-CB 3.42Å; T391-A395 PolarHBondContact O-N 2.79Å |
| 392 | H | 77.8 | Confident | 76.4 | Confident | 140 Ų | 140 | 96.4 Ų | 96.4 | 65% | 0.648 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -63.7 | -41.2 | 172.1 | -91.6 | -64.3 | 0 | 0 | 0 | 111.6 | N388 A389 V390 V396 | N388-H392 WeakPolarHBondContact O-CB 3.45Å; N388-H392 PolarHBondContact O-CD2 2.92Å; N388-H392 VanDerWaalsContact O-CD2 3.29Å; N388-H392 PolarHBondContact O-N 3.35Å; A389-H392 PolarHBondContact O-N 2.97Å; V390-H392 VanDerWaalsContact C-N 3.27Å; V390-H392 PolarHBondContact O-N 3.4Å; H392-V396 WeakPolarHBondContact O-CG2 3.46Å |
| 393 | L | 76.4 | Confident | 75.3 | Confident | 134 Ų | 134 | 95.4 Ų | 95.4 | 70% | 0.702 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -64.8 | -42.6 | 177.2 | -167.3 | 72 | 0 | 0 | 0 | 112.1 | A389 V390 T391 V396 | A389-L393 PolarHBondContact O-N 2.75Å; V390-L393 WeakPolarHBondContact O-CA 3.35Å; V390-L393 WeakPolarHBondContact O-CB 3.49Å; V390-L393 PolarHBondContact O-N 3.16Å; T391-L393 VanDerWaalsContact C-N 3.34Å; L393-V396 PolarHBondContact O-N 3.08Å |
| 394 | E | 68.6 | Low | 74.2 | Confident | 126 Ų | 126 | 94.9 Ų | 94.9 | 59% | 0.589 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -66.1 | -39.6 | 177.5 | -75.4 | -171.8 | 161.7 | 0 | 0 | 112.6 | V390 T391 V396 S397 | V390-E394 PolarHBondContact O-N 2.97Å; T391-E394 PolarHBondContact O-N 3.09Å; E394-V396 PolarHBondContact O-N 2.83Å; E394-S397 VanDerWaalsContact O-CB 3.26Å; E394-S397 WeakPolarHBondContact O-CB 3.42Å; E394-S397 PolarHBondContact O-N 2.89Å |
| 395 | A | 68.5 | Low | 73.1 | Confident | 74 Ų | 74 | 91.8 Ų | 91.8 | 61% | 0.612 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -63.7 | -21.4 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | T391 | T391-A395 WeakPolarHBondContact O-CB 3.42Å; T391-A395 PolarHBondContact O-N 2.79Å |
| 396 | V | 68.7 | Low | 72.5 | Confident | 120 Ų | 120 | 90.3 Ų | 90.3 | 73% | 0.727 | 51% | 0.514 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.3 | -0.3 | 175.3 | -120.2 | 0 | 0 | 0 | 0 | 113.1 | H392 L393 E394 P398 | H392-V396 WeakPolarHBondContact O-CG2 3.46Å; L393-V396 PolarHBondContact O-N 3.08Å; E394-V396 PolarHBondContact O-N 2.83Å; V396-P398 WeakPolarHBondContact O-CD 3.33Å |
| 397 | S | 61 | Low | 72.1 | Confident | 38 Ų | 38 | 86 Ų | 86 | 27% | 0.266 | 50% | 0.502 | S | S | . | . | trans | -73 | 122.3 | -179.2 | -177.6 | 0 | 0 | 0 | 0 | 111.2 | E394 L399 S400 | E394-S397 VanDerWaalsContact O-CB 3.26Å; E394-S397 WeakPolarHBondContact O-CB 3.42Å; E394-S397 PolarHBondContact O-N 2.89Å; S397-L399 PolarHBondContact O-N 3.01Å; S397-S400 WeakPolarHBondContact O-CB 3.23Å; S397-S400 PolarHBondContact O-N 3Å; S397-S400 PolarHBondContact O-OG 2.67Å | ||
| 398 | P | 63.4 | Low | 71.9 | Confident | 101 Ų | 101 | 87 Ų | 87 | 66% | 0.656 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -56.1 | -25.5 | 176.7 | -23.9 | 33.2 | 0 | 0 | 0 | 113.8 | V396 T401 L402 | V396-P398 WeakPolarHBondContact O-CD 3.33Å; P398-T401 PolarHBondContact O-N 3Å; P398-L402 PolarHBondContact O-N 3.02Å |
| 399 | L | 64.5 | Low | 71.9 | Confident | 120 Ų | 120 | 84.5 Ų | 84.5 | 63% | 0.628 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -67.3 | -36.9 | 177.1 | -65.8 | 167.7 | 0 | 0 | 0 | 112.1 | S397 T401 L402 A403 | S397-L399 PolarHBondContact O-N 3.01Å; L399-T401 PolarHBondContact O-N 3.39Å; L399-L402 PolarHBondContact O-N 3.01Å; L399-A403 PolarHBondContact O-N 2.81Å |
| 400 | S | 64.4 | Low | 72.1 | Confident | 32 Ų | 32 | 82.6 Ų | 82.6 | 22% | 0.224 | 47% | 0.472 | C | S | . | . | H | α-helix | trans | -66.2 | -29.3 | 178.1 | 71.8 | 0 | 0 | 0 | 0 | 112.2 | S397 R404 | S397-S400 WeakPolarHBondContact O-CB 3.23Å; S397-S400 PolarHBondContact O-N 3Å; S397-S400 PolarHBondContact O-OG 2.67Å; S400-R404 WeakPolarHBondContact O-CG 3.44Å; S400-R404 PolarHBondContact O-N 3.08Å |
| 401 | T | 65.3 | Low | 72 | Confident | 72 Ų | 72 | 80.7 Ų | 80.7 | 44% | 0.442 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -70.1 | -41.4 | 175.6 | -38.8 | 0 | 0 | 0 | 0 | 111.3 | P398 L399 R404 Y406 | P398-T401 PolarHBondContact O-N 3Å; L399-T401 PolarHBondContact O-N 3.39Å; T401-R404 PolarHBondContact O-N 3.3Å; T401-Y406 HydrophobicContact CG2-CD2 4.38Å; T401-Y406 WeakPolarHBondContact O-CB 3.28Å |
| 402 | L | 67.2 | Low | 71.8 | Confident | 18 Ų | 18 | 82.8 Ų | 82.8 | 9% | 0.094 | 48% | 0.475 | C | S | . | . | H | α-helix | trans | -67.7 | -41.4 | 177 | -69 | 168.8 | 0 | 0 | 0 | 111.8 | P398 L399 R404 G405 V408 R432 | P398-L402 PolarHBondContact O-N 3.02Å; L399-L402 PolarHBondContact O-N 3.01Å; L402-R404 PolarHBondContact O-N 2.99Å; L402-G405 PolarHBondContact O-N 2.63Å; L402-G405 VanDerWaalsContact O-N 3.12Å; L402-V408 HydrophobicContact CD2-CG2 4.01Å; L402-R432 HydrophobicContact CD2-CG 4.44Å |
| 403 | A | 67.6 | Low | 71.7 | Confident | 55 Ų | 55 | 81 Ų | 81 | 46% | 0.455 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -65.7 | -19.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | L399 G405 | L399-A403 PolarHBondContact O-N 2.81Å; A403-G405 PolarHBondContact O-N 3.11Å |
| 404 | R | 66.5 | Low | 71.7 | Confident | 187 Ų | 187 | 77 Ų | 77 | 71% | 0.706 | 46% | 0.462 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.5 | 9 | 173.9 | -76.7 | 178.8 | -176.7 | 167.5 | 4.1 | 113.5 | S400 T401 L402 Y406 | S400-R404 WeakPolarHBondContact O-CG 3.44Å; S400-R404 PolarHBondContact O-N 3.08Å; T401-R404 PolarHBondContact O-N 3.3Å; L402-R404 PolarHBondContact O-N 2.99Å; R404-Y406 VanDerWaalsContact C-N 3.32Å; R404-Y406 HydrophobicContact CB-CD2 3.75Å; R404-Y406 HydrophobicContact CB-CE2 3.88Å |
| 405 | G | 67 | Low | 72.3 | Confident | 69 Ų | 69 | 75.7 Ų | 75.7 | 71% | 0.711 | 46% | 0.459 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.2 | 13.1 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114 | L402 A403 | L402-G405 PolarHBondContact O-N 2.63Å; L402-G405 VanDerWaalsContact O-N 3.12Å; A403-G405 PolarHBondContact O-N 3.11Å |
| 406 | Y | 75 | Confident | 73 | Confident | 152 Ų | 152 | 75.4 Ų | 75.4 | 60% | 0.596 | 45% | 0.449 | S | S | * | . | trans | -84.2 | 136.1 | 168.3 | -62.8 | -82.3 | 0 | 0 | 0 | 109.4 | T401 R404 | T401-Y406 HydrophobicContact CG2-CD2 4.38Å; T401-Y406 WeakPolarHBondContact O-CB 3.28Å; R404-Y406 VanDerWaalsContact C-N 3.32Å; R404-Y406 HydrophobicContact CB-CD2 3.75Å; R404-Y406 HydrophobicContact CB-CE2 3.88Å | ||
| 407 | S | 79.1 | Confident | 73.5 | Confident | 57 Ų | 57 | 71.2 Ų | 71.2 | 40% | 0.399 | 42% | 0.422 | S | S | . | . | trans | -100.5 | 156.5 | 172.7 | 62.5 | 0 | 0 | 0 | 0 | 111.1 | T431 R432 | S407-T431 WeakPolarHBondContact OG-CG2 3.41Å; S407-R432 WeakPolarHBondContact CA-O 3.4Å; S407-R432 VanDerWaalsContact CB-O 3.26Å; S407-R432 WeakPolarHBondContact CB-O 3.36Å | ||
| 408 | V | 82.5 | Confident | 74.6 | Confident | 54 Ų | 54 | 78 Ų | 78 | 33% | 0.327 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 109.4 | 170.8 | 178.7 | 0 | 0 | 0 | 0 | 107.6 | L402 V416 R432 | L402-V408 HydrophobicContact CD2-CG2 4.01Å; V408-V416 HydrophobicContact CG1-CB 4.35Å; V408-V416 HydrophobicContact CG1-CG1 3.78Å; V408-V416 HydrophobicContact CG1-CG2 3.67Å; V408-R432 HydrophobicContact CB-CB 4.35Å; V408-R432 PolarHBondContact N-O 2.67Å; V408-R432 PolarHBondContact O-N 3Å |
| 409 | T | 83.8 | Confident | 75.4 | Confident | 34 Ų | 34 | 80.3 Ų | 80.3 | 21% | 0.209 | 45% | 0.447 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 126.9 | 177.9 | -47 | 0 | 0 | 0 | 0 | 109.9 | V416 L417 L429 T430 | T409-V416 WeakPolarHBondContact O-CA 3.44Å; T409-L417 HydrophobicContact CG2-CD1 3.92Å; T409-L417 WeakPolarHBondContact O-CB 3.2Å; T409-L417 PolarHBondContact O-N 3.46Å; T409-L429 HydrophobicContact CG2-CB 3.94Å; T409-L429 HydrophobicContact CG2-CD1 4.02Å; T409-L429 HydrophobicContact CG2-CG 4.46Å; T409-T430 CarbonylContact C-O 3.57Å; T409-T430 WeakPolarHBondContact CA-O 3.41Å |
| 410 | T | 86 | Confident | 76.1 | Confident | 17 Ų | 17 | 78.3 Ų | 78.3 | 10% | 0.104 | 44% | 0.439 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 145.8 | 175.6 | 46.8 | 0 | 0 | 0 | 0 | 110.7 | N415 V416 T430 | T410-N415 VanDerWaalsContact CA-O 3.29Å; T410-N415 WeakPolarHBondContact CA-O 3.37Å; T410-V416 HydrophobicContact CG2-CG2 4.1Å; T410-T430 PolarHBondContact N-O 3.01Å; T410-T430 PolarHBondContact O-N 3.46Å; T410-T430 PolarHBondContact O-OG1 3.39Å; T410-T430 WeakPolarHBondContact OG1-CB 3.46Å; T410-T430 PolarHBondContact OG1-O 2.93Å; T410-T430 PolarHBondContact OG1-OG1 3.12Å |
| 411 | A | 79.9 | Confident | 76.8 | Confident | 15 Ų | 15 | 86.4 Ų | 86.4 | 12% | 0.124 | 47% | 0.471 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 173.3 | 165.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | D413 G414 N415 L417 | A411-D413 WeakPolarHBondContact CB-OD1 3.37Å; A411-D413 PolarHBondContact O-N 2.97Å; A411-D413 VanDerWaalsContact O-N 3.11Å; A411-G414 PolarHBondContact O-N 3.3Å; A411-N415 PolarHBondContact N-O 3.46Å; A411-L417 HydrophobicContact CB-CD1 4.42Å; A411-L417 HydrophobicContact CB-CD2 4.09Å; A411-L417 HydrophobicContact CB-CG 4.37Å |
| 412 | T | 74.6 | Confident | 77.4 | Confident | 123 Ų | 123 | 87.2 Ų | 87.2 | 76% | 0.755 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | -19.1 | 176.6 | 45.5 | 0 | 0 | 0 | 0 | 113.9 | G414 M428 | T412-G414 VanDerWaalsContact C-N 3.34Å; T412-M428 HydrophobicContact CG2-CB 4.02Å |
| 413 | D | 75.8 | Confident | 77.9 | Confident | 104 Ų | 104 | 87.5 Ų | 87.5 | 56% | 0.556 | 47% | 0.471 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.4 | 2.5 | 174.7 | 67 | -3.1 | 0 | 0 | 0 | 113.8 | A411 N415 | A411-D413 WeakPolarHBondContact CB-OD1 3.37Å; A411-D413 PolarHBondContact O-N 2.97Å; A411-D413 VanDerWaalsContact O-N 3.11Å; D413-N415 VanDerWaalsContact C-N 3.28Å; D413-N415 VanDerWaalsContact CG-ND2 3.26Å; D413-N415 PolarHBondContact O-N 3.43Å; D413-N415 VanDerWaalsContact OD1-CB 3.28Å; D413-N415 WeakPolarHBondContact OD1-CB 3.41Å; D413-N415 PolarHBondContact OD1-N 2.94Å; D413-N415 PolarHBondContact OD2-ND2 3.37Å |
| 414 | G | 77.2 | Confident | 78.4 | Confident | 50 Ų | 50 | 91.8 Ų | 91.8 | 52% | 0.515 | 48% | 0.48 | S | S | . | . | S | Bend | trans | 79.9 | 0.5 | -178 | 0 | 0 | 0 | 0 | 0 | 114.8 | A411 T412 | A411-G414 PolarHBondContact O-N 3.3Å; T412-G414 VanDerWaalsContact C-N 3.34Å |
| 415 | N | 80.3 | Confident | 79 | Confident | 98 Ų | 98 | 86.3 Ų | 86.3 | 52% | 0.524 | 47% | 0.474 | S | S | . | . | trans | -77.9 | 130.6 | -179.9 | -73.8 | -44.5 | 0 | 0 | 0 | 111.8 | T410 A411 D413 L417 | T410-N415 VanDerWaalsContact CA-O 3.29Å; T410-N415 WeakPolarHBondContact CA-O 3.37Å; A411-N415 PolarHBondContact N-O 3.46Å; D413-N415 VanDerWaalsContact C-N 3.28Å; D413-N415 VanDerWaalsContact CG-ND2 3.26Å; D413-N415 PolarHBondContact O-N 3.43Å; D413-N415 VanDerWaalsContact OD1-CB 3.28Å; D413-N415 WeakPolarHBondContact OD1-CB 3.41Å; D413-N415 PolarHBondContact OD1-N 2.94Å; D413-N415 PolarHBondContact OD2-ND2 3.37Å; N415-L417 PolarHBondContact O-N 3.05Å | ||
| 416 | V | 83.3 | Confident | 79.6 | Confident | 68 Ų | 68 | 85.1 Ų | 85.1 | 41% | 0.412 | 46% | 0.463 | S | S | . | . | B | Isolated β-bridge | trans | -66.1 | 124.2 | 176.6 | 178.8 | 0 | 0 | 0 | 0 | 110.8 | V408 T409 T410 K418 | V408-V416 HydrophobicContact CG1-CB 4.35Å; V408-V416 HydrophobicContact CG1-CG1 3.78Å; V408-V416 HydrophobicContact CG1-CG2 3.67Å; T409-V416 WeakPolarHBondContact O-CA 3.44Å; T410-V416 HydrophobicContact CG2-CG2 4.1Å; V416-K418 HydrophobicContact CG1-CG 4.42Å; V416-K418 PolarHBondContact O-N 2.87Å |
| 417 | L | 80.3 | Confident | 80 | Confident | 32 Ų | 32 | 81.5 Ų | 81.5 | 17% | 0.168 | 45% | 0.451 | C | S | . | . | trans | -80.5 | 112.7 | 178.9 | -64.3 | 172 | 0 | 0 | 0 | 110 | T409 A411 N415 Q422 V423 L429 | T409-L417 HydrophobicContact CG2-CD1 3.92Å; T409-L417 WeakPolarHBondContact O-CB 3.2Å; T409-L417 PolarHBondContact O-N 3.46Å; A411-L417 HydrophobicContact CB-CD1 4.42Å; A411-L417 HydrophobicContact CB-CD2 4.09Å; A411-L417 HydrophobicContact CB-CG 4.37Å; N415-L417 PolarHBondContact O-N 3.05Å; L417-Q422 HydrophobicContact CD2-CB 3.54Å; L417-V423 HydrophobicContact CD1-CG2 3.62Å; L417-V423 HydrophobicContact CD2-CG2 3.76Å; L417-V423 HydrophobicContact CG-CG2 4.24Å; L417-L429 HydrophobicContact CD1-CD1 4.33Å; L417-L429 HydrophobicContact CD1-CD2 3.36Å; L417-L429 HydrophobicContact CD1-CG 4.38Å | ||
| 418 | K | 83.1 | Confident | 80.2 | Confident | 179 Ų | 179 | 82.9 Ų | 82.9 | 78% | 0.778 | 45% | 0.452 | S | S | * | . | trans | -107.6 | -19.9 | -179.6 | -63.7 | -179.6 | -178 | 177.5 | 0 | 112.6 | V416 | V416-K418 HydrophobicContact CG1-CG 4.42Å; V416-K418 PolarHBondContact O-N 2.87Å | ||
| 419 | K | 80.8 | Confident | 80.3 | Confident | 151 Ų | 151 | 81.6 Ų | 81.6 | 66% | 0.657 | 44% | 0.443 | S | S | * | . | S | Bend | trans | -138.3 | 138.2 | -173.2 | -64.6 | 179 | -176.4 | 169.8 | 0 | 109.5 | K421 Q422 | K419-K421 PolarHBondContact O-N 3.31Å; K419-Q422 HydrophobicContact CB-CG 4.32Å; K419-Q422 WeakPolarHBondContact O-CB 3.48Å; K419-Q422 WeakPolarHBondContact O-CG 3.37Å; K419-Q422 PolarHBondContact O-N 3.09Å; K419-Q422 PolarHBondContact O-OE1 2.8Å |
| 420 | V | 78.6 | Confident | 80.4 | Confident | 78 Ų | 78 | 81.7 Ų | 81.7 | 47% | 0.473 | 44% | 0.444 | S | S | . | . | G | 310 helix | trans | -56.6 | -22 | 177.1 | -175.6 | 0 | 0 | 0 | 0 | 113.2 | Q422 I445 | V420-Q422 PolarHBondContact O-N 2.98Å; V420-I445 HydrophobicContact CG1-CG2 3.2Å |
| 421 | K | 78.8 | Confident | 80.4 | Confident | 202 Ų | 202 | 81.9 Ų | 81.9 | 88% | 0.878 | 45% | 0.445 | S | S | * | . | G | 310 helix | trans | -71.4 | -9.4 | 176.6 | -62.9 | -171.4 | 176.6 | -168 | 0 | 114.6 | K419 V423 | K419-K421 PolarHBondContact O-N 3.31Å; K421-V423 VanDerWaalsContact C-N 3.33Å |
| 422 | Q | 78.3 | Confident | 80.5 | Confident | 89 Ų | 89 | 86.2 Ų | 86.2 | 42% | 0.416 | 46% | 0.458 | S | S | . | . | G | 310 helix | trans | -92 | 4.8 | -175.1 | -62.6 | 176.9 | -78.3 | 0 | 0 | 113 | L417 K419 V420 | L417-Q422 HydrophobicContact CD2-CB 3.54Å; K419-Q422 HydrophobicContact CB-CG 4.32Å; K419-Q422 WeakPolarHBondContact O-CB 3.48Å; K419-Q422 WeakPolarHBondContact O-CG 3.37Å; K419-Q422 PolarHBondContact O-N 3.09Å; K419-Q422 PolarHBondContact O-OE1 2.8Å; V420-Q422 PolarHBondContact O-N 2.98Å |
| 423 | V | 78.4 | Confident | 80.8 | Confident | 23 Ų | 23 | 83.1 Ų | 83.1 | 14% | 0.139 | 44% | 0.437 | C | S | . | . | trans | -134 | 146.7 | -173.8 | -169.3 | 0 | 0 | 0 | 0 | 109.2 | L417 K421 E427 L429 V442 I445 | L417-V423 HydrophobicContact CD1-CG2 3.62Å; L417-V423 HydrophobicContact CD2-CG2 3.76Å; L417-V423 HydrophobicContact CG-CG2 4.24Å; K421-V423 VanDerWaalsContact C-N 3.33Å; V423-E427 VanDerWaalsContact CA-OE2 3.31Å; V423-E427 WeakPolarHBondContact CA-OE2 3.27Å; V423-E427 HydrophobicContact CG1-CB 4.35Å; V423-L429 HydrophobicContact CG1-CD1 4.32Å; V423-L429 HydrophobicContact CG1-CD2 3.91Å; V423-L429 HydrophobicContact CG1-CG 4.47Å; V423-L429 HydrophobicContact CG2-CD2 4.23Å; V423-V442 HydrophobicContact CG1-CB 4.06Å; V423-V442 HydrophobicContact CG1-CG1 4.02Å; V423-V442 HydrophobicContact CG1-CG2 3.25Å; V423-I445 HydrophobicContact CB-CD1 4.41Å; V423-I445 WeakPolarHBondContact O-CD1 3.27Å | ||
| 424 | K | 76.9 | Confident | 81 | Confident | 146 Ų | 146 | 84.9 Ų | 84.9 | 64% | 0.635 | 44% | 0.442 | S | S | * | . | trans | -115.8 | 155.9 | 170.6 | -63.9 | 177.4 | -175.7 | 170.7 | 0 | 110.9 | G426 E427 V442 | K424-G426 PolarHBondContact O-N 3.37Å; K424-E427 HydrophobicContact CB-CG 4.19Å; K424-E427 PolarHBondContact N-OE2 3.49Å; K424-E427 WeakPolarHBondContact O-CB 3.38Å; K424-E427 PolarHBondContact O-N 3.45Å; K424-V442 WeakPolarHBondContact O-CB 3.36Å | ||
| 425 | A | 80.1 | Confident | 81.1 | Confident | 71 Ų | 71 | 89.6 Ų | 89.6 | 59% | 0.587 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | 133.7 | 170.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | V442 | A425-V442 CarbonylContact C-O 3.53Å; A425-V442 WeakPolarHBondContact CA-O 3.29Å |
| 426 | G | 78.3 | Confident | 81.2 | Confident | 45 Ų | 45 | 86.1 Ų | 86.1 | 46% | 0.464 | 44% | 0.442 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 89.1 | -4.5 | -174.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | K424 V442 | K424-G426 PolarHBondContact O-N 3.37Å; G426-V442 PolarHBondContact N-O 3.1Å |
| 427 | E | 83.2 | Confident | 81.4 | Confident | 75 Ų | 75 | 90.5 Ų | 90.5 | 35% | 0.35 | 45% | 0.451 | S | S | . | . | trans | -78.2 | 141.5 | 174.7 | -77.8 | 174.7 | 177.6 | 0 | 0 | 111.7 | V423 K424 V442 | V423-E427 VanDerWaalsContact CA-OE2 3.31Å; V423-E427 WeakPolarHBondContact CA-OE2 3.27Å; V423-E427 HydrophobicContact CG1-CB 4.35Å; K424-E427 HydrophobicContact CB-CG 4.19Å; K424-E427 PolarHBondContact N-OE2 3.49Å; K424-E427 WeakPolarHBondContact O-CB 3.38Å; K424-E427 PolarHBondContact O-N 3.45Å; E427-V442 WeakPolarHBondContact O-CG2 3.4Å; E427-V442 PolarHBondContact O-N 3.26Å | ||
| 428 | M | 83.4 | Confident | 81.5 | Confident | 86 Ų | 86 | 92.7 Ų | 92.7 | 42% | 0.424 | 46% | 0.463 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 135.6 | 171.8 | -68.7 | -64.9 | -73.2 | 0 | 0 | 110.4 | T412 E439 S440 E441 | T412-M428 HydrophobicContact CG2-CB 4.02Å; M428-E439 HydrophobicContact CE-CB 4.11Å; M428-S440 CarbonylContact C-O 3.54Å; M428-E441 HydrophobicContact SD-CB 3.95Å; M428-E441 HydrophobicContact SD-CG 4.3Å |
| 429 | L | 86.2 | Confident | 81.7 | Confident | 27 Ų | 27 | 91.1 Ų | 91.1 | 14% | 0.141 | 46% | 0.458 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 143 | 178 | -57.8 | -174.6 | 0 | 0 | 0 | 109.6 | T409 L417 V423 E439 S440 V442 | T409-L429 HydrophobicContact CG2-CB 3.94Å; T409-L429 HydrophobicContact CG2-CD1 4.02Å; T409-L429 HydrophobicContact CG2-CG 4.46Å; L417-L429 HydrophobicContact CD1-CD1 4.33Å; L417-L429 HydrophobicContact CD1-CD2 3.36Å; L417-L429 HydrophobicContact CD1-CG 4.38Å; V423-L429 HydrophobicContact CG1-CD1 4.32Å; V423-L429 HydrophobicContact CG1-CD2 3.91Å; V423-L429 HydrophobicContact CG1-CG 4.47Å; V423-L429 HydrophobicContact CG2-CD2 4.23Å; L429-E439 CarbonylContact O-C 3.57Å; L429-E439 WeakPolarHBondContact O-CA 3.37Å; L429-S440 PolarHBondContact N-O 3.49Å; L429-S440 PolarHBondContact O-N 2.88Å; L429-V442 HydrophobicContact CD1-CG2 3.44Å; L429-V442 VanDerWaalsContact CD1-CG2 3.44Å; L429-V442 HydrophobicContact CD2-CG2 4.2Å; L429-V442 HydrophobicContact CG-CG2 3.61Å |
| 430 | T | 84.9 | Confident | 81.8 | Confident | 36 Ų | 36 | 86.1 Ų | 86.1 | 22% | 0.221 | 44% | 0.442 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 125 | 168.8 | 15.7 | 0 | 0 | 0 | 0 | 108.8 | T409 T410 I438 E439 | T409-T430 CarbonylContact C-O 3.57Å; T409-T430 WeakPolarHBondContact CA-O 3.41Å; T410-T430 PolarHBondContact N-O 3.01Å; T410-T430 PolarHBondContact O-N 3.46Å; T410-T430 PolarHBondContact O-OG1 3.39Å; T410-T430 WeakPolarHBondContact OG1-CB 3.46Å; T410-T430 PolarHBondContact OG1-O 2.93Å; T410-T430 PolarHBondContact OG1-OG1 3.12Å; T430-I438 CarbonylContact C-O 3.54Å; T430-I438 WeakPolarHBondContact CA-O 3.4Å; T430-E439 HydrophobicContact CG2-CG 3.97Å |
| 431 | T | 86.2 | Confident | 82.1 | Confident | 21 Ų | 21 | 88.4 Ų | 88.4 | 13% | 0.129 | 45% | 0.448 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 116.8 | -179.8 | -59.2 | 0 | 0 | 0 | 0 | 109.1 | S407 W437 I438 | S407-T431 WeakPolarHBondContact OG-CG2 3.41Å; T431-W437 CarbonylContact O-C 3.59Å; T431-W437 WeakPolarHBondContact O-CA 3.21Å; T431-I438 PolarHBondContact N-O 3.37Å; T431-I438 PolarHBondContact O-N 3.23Å |
| 432 | R | 81.9 | Confident | 82.3 | Confident | 107 Ų | 107 | 79.6 Ų | 79.6 | 40% | 0.404 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 128.4 | 174 | -175.3 | 176.1 | 179.3 | 156.3 | 0.6 | 110.8 | L402 S407 V408 W437 | L402-R432 HydrophobicContact CD2-CG 4.44Å; S407-R432 WeakPolarHBondContact CA-O 3.4Å; S407-R432 VanDerWaalsContact CB-O 3.26Å; S407-R432 WeakPolarHBondContact CB-O 3.36Å; V408-R432 HydrophobicContact CB-CB 4.35Å; V408-R432 PolarHBondContact N-O 2.67Å; V408-R432 PolarHBondContact O-N 3Å; R432-W437 HydrophobicContact CB-CD2 4.28Å; R432-W437 HydrophobicContact CB-CE3 3.83Å; R432-W437 HydrophobicContact CB-CH2 4.06Å; R432-W437 HydrophobicContact CB-CZ2 4.46Å; R432-W437 HydrophobicContact CB-CZ3 3.72Å; R432-W437 HydrophobicContact CG-CD2 4.36Å; R432-W437 HydrophobicContact CG-CE3 4.35Å; R432-W437 HydrophobicContact CG-CH2 4.12Å; R432-W437 HydrophobicContact CG-CZ2 4.09Å; R432-W437 HydrophobicContact CG-CZ3 4.25Å |
| 433 | L | 81.1 | Confident | 82.5 | Confident | 58 Ų | 58 | 84.6 Ų | 84.6 | 30% | 0.304 | 43% | 0.431 | S | S | . | . | trans | -107 | -178.2 | 171.5 | -65.7 | 175.1 | 0 | 0 | 0 | 110.7 | D435 G436 I438 | L433-D435 VanDerWaalsContact C-N 3.27Å; L433-D435 PolarHBondContact O-N 3.22Å; L433-G436 PolarHBondContact N-O 3.03Å; L433-I438 HydrophobicContact CD1-CD1 3.42Å; L433-I438 VanDerWaalsContact CD1-CD1 3.42Å; L433-I438 HydrophobicContact CD1-CG1 3.96Å; L433-I438 HydrophobicContact CG-CD1 4.35Å | ||
| 434 | E | 79.1 | Confident | 82.6 | Confident | 141 Ų | 141 | 89.2 Ų | 89.2 | 66% | 0.659 | 46% | 0.455 | S | S | * | . | S | Bend | trans | -57.9 | -41.6 | 173.6 | -179.1 | 176 | -172.1 | 0 | 0 | 111.8 | ||
| 435 | D | 80.8 | Confident | 82.8 | Confident | 148 Ų | 148 | 84.9 Ų | 84.9 | 79% | 0.791 | 44% | 0.438 | S | S | * | . | S | Bend | trans | -117.5 | 1 | -168.3 | 64 | -22.6 | 0 | 0 | 0 | 114 | L433 | L433-D435 VanDerWaalsContact C-N 3.27Å; L433-D435 PolarHBondContact O-N 3.22Å |
| 436 | G | 81.1 | Confident | 82.8 | Confident | 25 Ų | 25 | 89 Ų | 89 | 26% | 0.258 | 45% | 0.446 | S | S | . | . | trans | -177.9 | -167.6 | -175.9 | 0 | 0 | 0 | 0 | 0 | 117.1 | L433 | L433-G436 PolarHBondContact N-O 3.03Š| ||
| 437 | W | 87.2 | Confident | 82.6 | Confident | 160 Ų | 160 | 91.8 Ų | 91.8 | 61% | 0.606 | 46% | 0.455 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 138.7 | -178.5 | -59.8 | 83.2 | 0 | 0 | 0 | 109.7 | T431 R432 | T431-W437 CarbonylContact O-C 3.59Å; T431-W437 WeakPolarHBondContact O-CA 3.21Å; R432-W437 HydrophobicContact CB-CD2 4.28Å; R432-W437 HydrophobicContact CB-CE3 3.83Å; R432-W437 HydrophobicContact CB-CH2 4.06Å; R432-W437 HydrophobicContact CB-CZ2 4.46Å; R432-W437 HydrophobicContact CB-CZ3 3.72Å; R432-W437 HydrophobicContact CG-CD2 4.36Å; R432-W437 HydrophobicContact CG-CE3 4.35Å; R432-W437 HydrophobicContact CG-CH2 4.12Å; R432-W437 HydrophobicContact CG-CZ2 4.09Å; R432-W437 HydrophobicContact CG-CZ3 4.25Å |
| 438 | I | 83.5 | Confident | 82.1 | Confident | 78 Ų | 78 | 94.7 Ų | 94.7 | 40% | 0.4 | 48% | 0.478 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 126.9 | 176.8 | -61 | 179 | 0 | 0 | 0 | 108.7 | T430 T431 L433 | T430-I438 CarbonylContact C-O 3.54Å; T430-I438 WeakPolarHBondContact CA-O 3.4Å; T431-I438 PolarHBondContact N-O 3.37Å; T431-I438 PolarHBondContact O-N 3.23Å; L433-I438 HydrophobicContact CD1-CD1 3.42Å; L433-I438 VanDerWaalsContact CD1-CD1 3.42Å; L433-I438 HydrophobicContact CD1-CG1 3.96Å; L433-I438 HydrophobicContact CG-CD1 4.35Å |
| 439 | E | 86.5 | Confident | 80.4 | Confident | 146 Ų | 146 | 100.4 Ų | 100.4 | 68% | 0.682 | 50% | 0.5 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 135.2 | 167.7 | -69.3 | -175.4 | 171.6 | 0 | 0 | 110.1 | M428 L429 T430 | M428-E439 HydrophobicContact CE-CB 4.11Å; L429-E439 CarbonylContact O-C 3.57Å; L429-E439 WeakPolarHBondContact O-CA 3.37Å; T430-E439 HydrophobicContact CG2-CG 3.97Å |
| 440 | S | 83.1 | Confident | 78.6 | Confident | 47 Ų | 47 | 109.1 Ų | 109.1 | 33% | 0.329 | 54% | 0.537 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 138.5 | -175.9 | -61.9 | 0 | 0 | 0 | 0 | 111.3 | M428 L429 | M428-S440 CarbonylContact C-O 3.54Å; L429-S440 PolarHBondContact N-O 3.49Å; L429-S440 PolarHBondContact O-N 2.88Å |
| 441 | E | 85.6 | Confident | 76.5 | Confident | 125 Ų | 125 | 112.9 Ų | 112.9 | 58% | 0.584 | 57% | 0.565 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -97.7 | 136.8 | 174.2 | -168.2 | -169.5 | 161.2 | 0 | 0 | 110.7 | M428 K443 | M428-E441 HydrophobicContact SD-CB 3.95Å; M428-E441 HydrophobicContact SD-CG 4.3Å; E441-K443 PolarHBondContact O-N 2.98Å |
| 442 | V | 83.5 | Confident | 74.4 | Confident | 17 Ų | 17 | 123.7 Ų | 123.7 | 10% | 0.103 | 60% | 0.603 | C | S | . | * | trans | -79.6 | 106.1 | -176.5 | 179.5 | 0 | 0 | 0 | 0 | 110.8 | V423 K424 A425 G426 E427 L429 I445 | V423-V442 HydrophobicContact CG1-CB 4.06Å; V423-V442 HydrophobicContact CG1-CG1 4.02Å; V423-V442 HydrophobicContact CG1-CG2 3.25Å; K424-V442 WeakPolarHBondContact O-CB 3.36Å; A425-V442 CarbonylContact C-O 3.53Å; A425-V442 WeakPolarHBondContact CA-O 3.29Å; G426-V442 PolarHBondContact N-O 3.1Å; E427-V442 WeakPolarHBondContact O-CG2 3.4Å; E427-V442 PolarHBondContact O-N 3.26Å; L429-V442 HydrophobicContact CD1-CG2 3.44Å; L429-V442 VanDerWaalsContact CD1-CG2 3.44Å; L429-V442 HydrophobicContact CD2-CG2 4.2Å; L429-V442 HydrophobicContact CG-CG2 3.61Å; V442-I445 HydrophobicContact CG1-CD1 4Å; V442-I445 HydrophobicContact CG1-CG1 3.67Å | ||
| 443 | K | 81.3 | Confident | 72.2 | Confident | 194 Ų | 194 | 128 Ų | 128 | 84% | 0.843 | 63% | 0.625 | S | S | * | * | trans | -79.2 | -38.2 | 177.2 | -66.5 | -171.2 | 177.4 | -178 | 0 | 114.2 | E441 | E441-K443 PolarHBondContact O-N 2.98Š| ||
| 444 | N | 80.5 | Confident | 70.3 | Confident | 120 Ų | 120 | 135.4 Ų | 135.4 | 64% | 0.642 | 66% | 0.655 | S | S | * | * | trans | -156.7 | 151.3 | -174.4 | -167.6 | 11.2 | 0 | 0 | 0 | 111.1 | ||||
| 445 | I | 82.1 | Confident | 68.6 | Low | 55 Ų | 55 | 134.8 Ų | 134.8 | 28% | 0.282 | 66% | 0.66 | S | S | . | * | trans | -127.3 | 113.8 | -176.2 | -61.1 | -178.3 | 0 | 0 | 0 | 109.5 | V420 V423 V442 | V420-I445 HydrophobicContact CG1-CG2 3.2Å; V423-I445 HydrophobicContact CB-CD1 4.41Å; V423-I445 WeakPolarHBondContact O-CD1 3.27Å; V442-I445 HydrophobicContact CG1-CD1 4Å; V442-I445 HydrophobicContact CG1-CG1 3.67Å | ||
| 446 | Q | 78.5 | Confident | 66.5 | Low | 159 Ų | 159 | 140.1 Ų | 140.1 | 74% | 0.743 | 68% | 0.68 | S | S | * | * | trans | -116.6 | 106.1 | 176.4 | -73.8 | -172.4 | -13.8 | 0 | 0 | 111.4 | ||||
| 447 | P | 74.3 | Confident | 65.7 | Low | 103 Ų | 103 | 145.9 Ų | 145.9 | 67% | 0.669 | 70% | 0.701 | S | S | * | * | P | Polyproline II helix | trans | -76.6 | 132.5 | 176 | 27.7 | -30.9 | 0 | 0 | 0 | 112.2 | ||
| 448 | V | 72.7 | Confident | 64.6 | Low | 136 Ų | 136 | 145.1 Ų | 145.1 | 82% | 0.824 | 71% | 0.706 | S | S | * | * | P | Polyproline II helix | trans | -74.6 | 130.4 | 174.8 | -176.7 | 0 | 0 | 0 | 0 | 110.7 | K450 | V448-K450 PolarHBondContact O-N 3.22Š|
| 449 | K | 48 | Very low | 63.5 | Low | 205 Ų | 205 | 148.8 Ų | 148.8 | 89% | 0.891 | 72% | 0.723 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 123.5 | 172 | -85.7 | -179.1 | 176 | 175.8 | 0 | 110.4 | S451 | K449-S451 PolarHBondContact O-N 2.93Š|
| 450 | K | 48.2 | Very low | 62.2 | Low | 211 Ų | 211 | 149 Ų | 149 | 92% | 0.917 | 73% | 0.725 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 120.7 | 179.8 | -83.9 | -176.9 | 173.6 | -178.7 | 0 | 112.5 | V448 | V448-K450 PolarHBondContact O-N 3.22Š|
| 451 | S | 40.7 | Very low | 60.9 | Low | 115 Ų | 115 | 155.4 Ų | 155.4 | 80% | 0.804 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -81.4 | 139.4 | 161.6 | 171.3 | 0 | 0 | 0 | 0 | 110.8 | K449 | K449-S451 PolarHBondContact O-N 2.93Š|
| 452 | R | 42.1 | Very low | 59.2 | Low | 248 Ų | 248 | 157.4 Ų | 157.4 | 94% | 0.936 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -70.7 | 121.9 | -179.2 | -83 | 177 | 164.6 | 165.7 | -5.3 | 110.9 | ||
| 453 | K | 37.1 | Very low | 57.5 | Low | 196 Ų | 196 | 167.4 Ų | 167.4 | 85% | 0.852 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 135.7 | 167.7 | -81.4 | -178.7 | 169.7 | -174.6 | 0 | 111.2 | ||
| 454 | K | 40.6 | Very low | 55.7 | Low | 215 Ų | 215 | 165.4 Ų | 165.4 | 94% | 0.935 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -98.1 | 131.5 | 149.8 | -85.3 | -174.1 | 175.4 | -178.5 | 0 | 107.8 | ||
| 455 | V | 42.6 | Very low | 53.6 | Low | 127 Ų | 127 | 169.2 Ų | 169.2 | 77% | 0.77 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -97.7 | 130.2 | 175.1 | 174.9 | 0 | 0 | 0 | 0 | 107.3 | ||
| 456 | H | 36.5 | Very low | 51 | Low | 260 Ų | 260 | 179.5 Ų | 179.5 | 100% | 1.204 | 87% | 0.868 | S | S | * | * | trans | -128.6 | 0 | 154.6 | -101.3 | -50.7 | 0 | 0 | 0 | 107.5 |
Retrieved 456 of 456 residues in 429.2 ms
(Link to these results)