| 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 | 52.4 | Low | 71.3 | Confident | 209 Ų | 209 | 123.2 Ų | 123.2 | 100% | 1.03 | 66% | 0.655 | S | S | * | * | 0 | -40.9 | 0 | -83.3 | -174.2 | 176.4 | 0 | 0 | 113.1 | A3 K4 | M1-A3 PolarHBondContact O-N 2.9Å; M1-K4 WeakPolarHBondContact O-CB 3.5Å; M1-K4 PolarHBondContact O-N 3.34Å; M1-K4 VanDerWaalsContact O-N 3.16Å | |||
| 2 | L | 62.6 | Low | 71.8 | Confident | 89 Ų | 89 | 117.8 Ų | 117.8 | 47% | 0.466 | 63% | 0.63 | S | S | . | * | G | 310 helix | trans | -63.4 | -35.3 | -178.7 | -67.8 | 164.4 | 0 | 0 | 0 | 114.3 | K4 Q5 Y14 | L2-K4 PolarHBondContact O-N 3.19Å; L2-K4 VanDerWaalsContact O-N 3.17Å; L2-Q5 WeakPolarHBondContact O-CB 3.47Å; L2-Q5 PolarHBondContact O-N 3.25Å; L2-Y14 HydrophobicContact CB-CD1 3.52Å; L2-Y14 HydrophobicContact CB-CE1 3.79Å; L2-Y14 HydrophobicContact CB-CG 3.97Å; L2-Y14 HydrophobicContact CD1-CD1 4.32Å; L2-Y14 HydrophobicContact CD1-CD2 4.14Å; L2-Y14 HydrophobicContact CD1-CG 3.87Å |
| 3 | A | 64.4 | Low | 72.3 | Confident | 52 Ų | 52 | 112.5 Ų | 112.5 | 43% | 0.43 | 60% | 0.601 | S | S | . | * | G | 310 helix | trans | -61.6 | -22.2 | 175 | 0 | 0 | 0 | 0 | 0 | 113.9 | M1 Q5 S6 Y14 | M1-A3 PolarHBondContact O-N 2.9Å; A3-Q5 PolarHBondContact O-N 3.19Å; A3-S6 PolarHBondContact O-OG 3.39Å; A3-S6 VanDerWaalsContact O-OG 3.1Å; A3-Y14 HydrophobicContact CB-CE1 4.11Å |
| 4 | K | 69.6 | Low | 72.7 | Confident | 192 Ų | 192 | 107.8 Ų | 107.8 | 84% | 0.835 | 57% | 0.571 | S | S | * | * | G | 310 helix | trans | -78.4 | -7.5 | 177.2 | -65.1 | -175.4 | 176.1 | -177.3 | 0 | 113.2 | M1 L2 | M1-K4 WeakPolarHBondContact O-CB 3.5Å; M1-K4 PolarHBondContact O-N 3.34Å; M1-K4 VanDerWaalsContact O-N 3.16Å; L2-K4 PolarHBondContact O-N 3.19Å; L2-K4 VanDerWaalsContact O-N 3.17Å |
| 5 | Q | 74.1 | Confident | 72.8 | Confident | 136 Ų | 136 | 103.6 Ų | 103.6 | 64% | 0.636 | 56% | 0.564 | S | S | * | * | G | 310 helix | trans | -88.2 | -4.8 | 178.2 | -66.4 | -73.2 | -18.2 | 0 | 0 | 112.8 | L2 A3 V12 | L2-Q5 WeakPolarHBondContact O-CB 3.47Å; L2-Q5 PolarHBondContact O-N 3.25Å; A3-Q5 PolarHBondContact O-N 3.19Å; Q5-V12 HydrophobicContact CB-CG2 4.47Å |
| 6 | S | 74.6 | Confident | 73 | Confident | 57 Ų | 57 | 99.9 Ų | 99.9 | 40% | 0.399 | 56% | 0.557 | S | S | . | * | trans | -72.2 | 130.5 | 174.1 | 61.2 | 0 | 0 | 0 | 0 | 111.1 | A3 V10 | A3-S6 PolarHBondContact O-OG 3.39Å; A3-S6 VanDerWaalsContact O-OG 3.1Å; S6-V10 CarbonylContact C-O 3.56Å; S6-V10 WeakPolarHBondContact CA-O 3.25Å | ||
| 7 | T | 82 | Confident | 73.1 | Confident | 88 Ų | 88 | 101.1 Ų | 101.1 | 54% | 0.54 | 57% | 0.568 | S | S | . | * | trans | -102.9 | 173.9 | 173.2 | 66.5 | 0 | 0 | 0 | 0 | 110.7 | E9 V10 | T7-E9 PolarHBondContact O-N 3.18Å; T7-V10 PolarHBondContact N-O 3.12Å; T7-V10 PolarHBondContact O-N 3.13Å; T7-V10 PolarHBondContact OG1-N 3.07Å | ||
| 8 | S | 76.6 | Confident | 73.5 | Confident | 131 Ų | 131 | 104.6 Ų | 104.6 | 92% | 0.916 | 58% | 0.579 | S | S | * | * | S | Bend | trans | -64.1 | -21.1 | 175.5 | 54.4 | 0 | 0 | 0 | 0 | 113.7 | ||
| 9 | E | 74.4 | Confident | 73.9 | Confident | 181 Ų | 181 | 102.5 Ų | 102.5 | 85% | 0.846 | 57% | 0.566 | S | S | * | * | S | Bend | trans | -102.5 | -24.4 | 179 | -62.2 | -170.2 | 166.2 | 0 | 0 | 113 | T7 | T7-E9 PolarHBondContact O-N 3.18Š|
| 10 | V | 77.4 | Confident | 74.3 | Confident | 88 Ų | 88 | 100.7 Ų | 100.7 | 53% | 0.533 | 55% | 0.552 | S | S | . | * | trans | -131.1 | 111.5 | -174.7 | -176.8 | 0 | 0 | 0 | 0 | 110.7 | S6 T7 V12 | S6-V10 CarbonylContact C-O 3.56Å; S6-V10 WeakPolarHBondContact CA-O 3.25Å; T7-V10 PolarHBondContact N-O 3.12Å; T7-V10 PolarHBondContact O-N 3.13Å; T7-V10 PolarHBondContact OG1-N 3.07Å; V10-V12 HydrophobicContact CG1-CG2 4.41Å | ||
| 11 | K | 75.9 | Confident | 74.7 | Confident | 132 Ų | 132 | 100.9 Ų | 100.9 | 57% | 0.574 | 55% | 0.553 | S | S | * | * | trans | -86.4 | 112.2 | 170.7 | -168.5 | 175.4 | -174.4 | -177.6 | 0 | 109.5 | L13 | K11-L13 HydrophobicContact CD-CD2 4.26Å; K11-L13 HydrophobicContact CG-CD2 4.24Å | ||
| 12 | V | 78 | Confident | 76.2 | Confident | 58 Ų | 58 | 94.7 Ų | 94.7 | 35% | 0.352 | 52% | 0.524 | S | S | . | . | trans | -85.3 | 121.1 | 174.4 | -178 | 0 | 0 | 0 | 0 | 108.9 | Q5 V10 | Q5-V12 HydrophobicContact CB-CG2 4.47Å; V10-V12 HydrophobicContact CG1-CG2 4.41Å | ||
| 13 | L | 77.4 | Confident | 77.3 | Confident | 49 Ų | 49 | 93.4 Ų | 93.4 | 26% | 0.257 | 52% | 0.515 | S | S | . | . | trans | -108.6 | 144.7 | 171.8 | -58.4 | 173.4 | 0 | 0 | 0 | 108.7 | K11 N316 T319 L320 L323 | K11-L13 HydrophobicContact CD-CD2 4.26Å; K11-L13 HydrophobicContact CG-CD2 4.24Å; L13-N316 VanDerWaalsContact CA-OD1 3.28Å; L13-N316 WeakPolarHBondContact CA-OD1 3.36Å; L13-N316 WeakPolarHBondContact CB-OD1 3.48Å; L13-N316 WeakPolarHBondContact CD2-OD1 3.41Å; L13-T319 HydrophobicContact CD1-CG2 3.75Å; L13-T319 HydrophobicContact CD2-CG2 4.04Å; L13-L320 HydrophobicContact CB-CD1 4.31Å; L13-L323 HydrophobicContact CD1-CD1 3.21Å | ||
| 14 | Y | 78.4 | Confident | 78.3 | Confident | 47 Ų | 47 | 91.7 Ų | 91.7 | 18% | 0.184 | 50% | 0.5 | C | S | . | . | trans | -131.5 | 144.8 | -178.5 | 53.5 | -90.3 | 0 | 0 | 0 | 110.2 | L2 A3 L19 N316 | L2-Y14 HydrophobicContact CB-CD1 3.52Å; L2-Y14 HydrophobicContact CB-CE1 3.79Å; L2-Y14 HydrophobicContact CB-CG 3.97Å; L2-Y14 HydrophobicContact CD1-CD1 4.32Å; L2-Y14 HydrophobicContact CD1-CD2 4.14Å; L2-Y14 HydrophobicContact CD1-CG 3.87Å; A3-Y14 HydrophobicContact CB-CE1 4.11Å; Y14-L19 HydrophobicContact CD2-CD2 3.49Å; Y14-L19 VanDerWaalsContact CD2-CD2 3.49Å; Y14-L19 HydrophobicContact CD2-CG 4.23Å; Y14-L19 HydrophobicContact CE2-CD2 4.26Å; Y14-L19 HydrophobicContact CG-CD2 4.35Å; Y14-N316 WeakPolarHBondContact CD1-ND2 3.39Å; Y14-N316 WeakPolarHBondContact CD2-ND2 3.14Å; Y14-N316 HydrophobicContact CE1-CB 4.45Å; Y14-N316 VanDerWaalsContact CE1-ND2 3.32Å; Y14-N316 WeakPolarHBondContact CE1-ND2 3.38Å; Y14-N316 WeakPolarHBondContact CE2-ND2 3.48Å; Y14-N316 VanDerWaalsContact CG-ND2 3.31Å; Y14-N316 PolarHBondContact N-OD1 3.42Å; Y14-N316 PolarHBondContact O-ND2 3.22Å | ||
| 15 | G | 74.5 | Confident | 79.1 | Confident | 45 Ų | 45 | 90.4 Ų | 90.4 | 46% | 0.464 | 49% | 0.49 | S | S | . | . | trans | -163.6 | 165.1 | -178.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 16 | G | 76.4 | Confident | 79.8 | Confident | 44 Ų | 44 | 88.9 Ų | 88.9 | 45% | 0.454 | 48% | 0.482 | S | S | . | . | trans | 166.4 | 157.4 | -175.9 | 0 | 0 | 0 | 0 | 0 | 107.6 | L19 F20 | G16-L19 PolarHBondContact O-N 3.14Å; G16-F20 WeakPolarHBondContact O-CB 3.38Å; G16-F20 PolarHBondContact O-N 3.5Å | ||
| 17 | T | 74.8 | Confident | 80.4 | Confident | 120 Ų | 120 | 86.8 Ų | 86.8 | 74% | 0.736 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -60.1 | -49.8 | -177.4 | 45.2 | 0 | 0 | 0 | 0 | 111.6 | L19 F20 D21 | T17-L19 PolarHBondContact O-N 3.23Å; T17-F20 WeakPolarHBondContact O-CB 3.45Å; T17-F20 PolarHBondContact O-N 3.48Å; T17-D21 PolarHBondContact O-N 2.93Å; T17-D21 VanDerWaalsContact O-N 3.1Å |
| 18 | E | 78.9 | Confident | 80.8 | Confident | 165 Ų | 165 | 85.4 Ų | 85.4 | 77% | 0.771 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -66.3 | -38.4 | 179.2 | -61.1 | -171.5 | 172.1 | 0 | 0 | 112.8 | F20 D21 D22 | E18-F20 VanDerWaalsContact C-N 3.33Å; E18-D21 PolarHBondContact O-N 2.97Å; E18-D22 PolarHBondContact O-N 3.26Å |
| 19 | L | 81.2 | Confident | 81.4 | Confident | 64 Ų | 64 | 86 Ų | 86 | 34% | 0.335 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -72.9 | -30.3 | -180 | -166.4 | 60.6 | 0 | 0 | 0 | 111.9 | Y14 G16 T17 E23 | Y14-L19 HydrophobicContact CD2-CD2 3.49Å; Y14-L19 VanDerWaalsContact CD2-CD2 3.49Å; Y14-L19 HydrophobicContact CD2-CG 4.23Å; Y14-L19 HydrophobicContact CE2-CD2 4.26Å; Y14-L19 HydrophobicContact CG-CD2 4.35Å; G16-L19 PolarHBondContact O-N 3.14Å; T17-L19 PolarHBondContact O-N 3.23Å; L19-E23 WeakPolarHBondContact O-CB 3.04Å; L19-E23 PolarHBondContact O-N 3.26Å; L19-E23 VanDerWaalsContact O-N 3.13Å |
| 20 | F | 81.7 | Confident | 82.1 | Confident | 66 Ų | 66 | 80.8 Ų | 80.8 | 29% | 0.289 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -62.7 | -53.5 | 170.6 | -179.5 | -81.4 | 0 | 0 | 0 | 109.2 | G16 T17 E18 D22 E23 V24 F311 L317 | G16-F20 WeakPolarHBondContact O-CB 3.38Å; G16-F20 PolarHBondContact O-N 3.5Å; T17-F20 WeakPolarHBondContact O-CB 3.45Å; T17-F20 PolarHBondContact O-N 3.48Å; E18-F20 VanDerWaalsContact C-N 3.33Å; F20-D22 VanDerWaalsContact C-N 3.31Å; F20-D22 PolarHBondContact O-N 3.26Å; F20-E23 PolarHBondContact O-N 2.71Å; F20-V24 HydrophobicContact CD1-CG2 3.86Å; F20-V24 HydrophobicContact CE1-CG2 3.57Å; F20-V24 HydrophobicContact CG-CG2 4.46Å; F20-V24 HydrophobicContact CZ-CG2 3.94Å; F20-V24 VanDerWaalsContact O-CG2 3.26Å; F20-V24 WeakPolarHBondContact O-CG2 3.41Å; F20-V24 PolarHBondContact O-N 3.02Å; F20-F311 HydrophobicContact CZ-CE2 4.5Å; F20-L317 HydrophobicContact CB-CD1 4.45Å; F20-L317 HydrophobicContact CD2-CD1 3.35Å; F20-L317 HydrophobicContact CD2-CD2 3.65Å; F20-L317 HydrophobicContact CD2-CG 3.74Å; F20-L317 HydrophobicContact CE2-CD1 3.9Å; F20-L317 HydrophobicContact CE2-CD2 3.53Å; F20-L317 HydrophobicContact CE2-CG 3.73Å; F20-L317 HydrophobicContact CG-CD1 4.22Å; F20-L317 HydrophobicContact CG-CD2 4.34Å; F20-L317 HydrophobicContact CZ-CD2 4.17Å |
| 21 | D | 82.6 | Confident | 82.8 | Confident | 105 Ų | 105 | 76.7 Ų | 76.7 | 56% | 0.561 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -60.7 | -39.3 | -177.6 | -67.6 | -21.3 | 0 | 0 | 0 | 112.6 | T17 E18 R25 | T17-D21 PolarHBondContact O-N 2.93Å; T17-D21 VanDerWaalsContact O-N 3.1Å; E18-D21 PolarHBondContact O-N 2.97Å; D21-R25 WeakPolarHBondContact O-CB 3.18Å; D21-R25 PolarHBondContact O-N 2.83Å |
| 22 | D | 85.5 | Confident | 83.4 | Confident | 80 Ų | 80 | 72 Ų | 72 | 43% | 0.428 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -66.6 | -45.4 | 176.8 | -164.2 | 55.7 | 0 | 0 | 0 | 112.6 | E18 F20 V24 R25 H26 | E18-D22 PolarHBondContact O-N 3.26Å; F20-D22 VanDerWaalsContact C-N 3.31Å; F20-D22 PolarHBondContact O-N 3.26Å; D22-V24 PolarHBondContact O-N 2.91Å; D22-R25 PolarHBondContact O-N 3.19Å; D22-R25 IonicContact OD1-CZ 3.06Å; D22-R25 IonicContact OD1-NH2 3.07Å; D22-R25 PolarHBondContact OD1-NH2 3.11Å; D22-H26 WeakPolarHBondContact O-CB 3.3Å; D22-H26 PolarHBondContact O-N 3.17Å |
| 23 | E | 84.8 | Confident | 84 | Confident | 61 Ų | 61 | 73.2 Ų | 73.2 | 29% | 0.285 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -63.8 | -40.8 | 177.5 | -171.6 | 71.2 | -155.3 | 0 | 0 | 111.4 | L19 F20 H26 T27 | L19-E23 WeakPolarHBondContact O-CB 3.04Å; L19-E23 PolarHBondContact O-N 3.26Å; L19-E23 VanDerWaalsContact O-N 3.13Å; F20-E23 PolarHBondContact O-N 2.71Å; E23-H26 PolarHBondContact O-N 2.75Å; E23-T27 VanDerWaalsContact O-CB 3.29Å; E23-T27 WeakPolarHBondContact O-CB 3.33Å; E23-T27 PolarHBondContact O-N 3.25Å; E23-T27 PolarHBondContact O-OG1 3.35Å |
| 24 | V | 86.3 | Confident | 84.6 | Confident | 17 Ų | 17 | 72.8 Ų | 72.8 | 10% | 0.103 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -61.6 | -47.7 | 176 | 172.8 | 0 | 0 | 0 | 0 | 110.6 | F20 D22 T27 F28 I86 F311 L317 | F20-V24 HydrophobicContact CD1-CG2 3.86Å; F20-V24 HydrophobicContact CE1-CG2 3.57Å; F20-V24 HydrophobicContact CG-CG2 4.46Å; F20-V24 HydrophobicContact CZ-CG2 3.94Å; F20-V24 VanDerWaalsContact O-CG2 3.26Å; F20-V24 WeakPolarHBondContact O-CG2 3.41Å; F20-V24 PolarHBondContact O-N 3.02Å; D22-V24 PolarHBondContact O-N 2.91Å; V24-T27 PolarHBondContact O-N 3.01Å; V24-F28 WeakPolarHBondContact O-CB 3.4Å; V24-F28 PolarHBondContact O-N 3.09Å; V24-I86 HydrophobicContact CG1-CD1 3.91Å; V24-F311 HydrophobicContact CB-CZ 4.4Å; V24-F311 HydrophobicContact CG1-CZ 4.34Å; V24-F311 HydrophobicContact CG2-CE1 4.29Å; V24-F311 HydrophobicContact CG2-CE2 4.22Å; V24-F311 HydrophobicContact CG2-CZ 3.52Å; V24-L317 HydrophobicContact CG2-CD2 3.98Å |
| 25 | R | 85.7 | Confident | 85 | Confident | 165 Ų | 165 | 71.1 Ų | 71.1 | 62% | 0.623 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -64.7 | -41.7 | 179.6 | -176.6 | 169.3 | 57 | 109.5 | 5 | 112.3 | D21 D22 F28 Y29 | D21-R25 WeakPolarHBondContact O-CB 3.18Å; D21-R25 PolarHBondContact O-N 2.83Å; D22-R25 PolarHBondContact O-N 3.19Å; D22-R25 IonicContact OD1-CZ 3.06Å; D22-R25 IonicContact OD1-NH2 3.07Å; D22-R25 PolarHBondContact OD1-NH2 3.11Å; R25-F28 PolarHBondContact O-N 3.46Å; R25-Y29 PolarHBondContact O-N 3.35Å |
| 26 | H | 87.8 | Confident | 85.7 | Confident | 104 Ų | 104 | 73.2 Ų | 73.2 | 48% | 0.481 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -64.4 | -43.4 | 175.8 | -179.2 | -97.9 | 0 | 0 | 0 | 111.7 | D22 E23 Y29 N30 | D22-H26 WeakPolarHBondContact O-CB 3.3Å; D22-H26 PolarHBondContact O-N 3.17Å; E23-H26 PolarHBondContact O-N 2.75Å; H26-Y29 PolarHBondContact O-N 2.73Å; H26-N30 PolarHBondContact CE1-ND2 3.13Å; H26-N30 PolarHBondContact ND1-ND2 2.96Å; H26-N30 PolarHBondContact O-N 3.17Å; H26-N30 VanDerWaalsContact O-N 3.08Å; H26-N30 PolarHBondContact O-ND2 3.31Å |
| 27 | T | 88.9 | Confident | 86.3 | Confident | 12 Ų | 12 | 75.6 Ų | 75.6 | 7% | 0.074 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -62.5 | -44.8 | 175.9 | -56.4 | 0 | 0 | 0 | 0 | 111.3 | E23 V24 Y29 N30 D31 F311 V871 I872 | E23-T27 VanDerWaalsContact O-CB 3.29Å; E23-T27 WeakPolarHBondContact O-CB 3.33Å; E23-T27 PolarHBondContact O-N 3.25Å; E23-T27 PolarHBondContact O-OG1 3.35Å; V24-T27 PolarHBondContact O-N 3.01Å; T27-Y29 PolarHBondContact O-N 3.31Å; T27-N30 PolarHBondContact O-N 3.16Å; T27-D31 PolarHBondContact O-N 3.38Å; T27-F311 HydrophobicContact CG2-CD1 4.3Å; T27-F311 HydrophobicContact CG2-CE1 4.4Å; T27-V871 HydrophobicContact CG2-CB 3.66Å; T27-V871 HydrophobicContact CG2-CG1 3.63Å; T27-I872 HydrophobicContact CG2-CG1 4.13Å |
| 28 | F | 89.5 | Confident | 86.9 | Confident | 59 Ų | 59 | 69.9 Ų | 69.9 | 26% | 0.259 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -59.7 | -44.3 | 176.6 | 176.9 | -100.1 | 0 | 0 | 0 | 112.3 | V24 R25 N30 D31 M32 I86 I872 F875 | V24-F28 WeakPolarHBondContact O-CB 3.4Å; V24-F28 PolarHBondContact O-N 3.09Å; R25-F28 PolarHBondContact O-N 3.46Å; F28-N30 PolarHBondContact O-N 2.95Å; F28-D31 PolarHBondContact O-N 3.13Å; F28-M32 HydrophobicContact CD1-CG 4.2Å; F28-M32 HydrophobicContact CE1-CG 3.75Å; F28-M32 HydrophobicContact CE2-CE 3.98Å; F28-M32 HydrophobicContact CE2-CG 4.17Å; F28-M32 HydrophobicContact CE2-SD 4.31Å; F28-M32 HydrophobicContact CZ-CE 4.27Å; F28-M32 HydrophobicContact CZ-CG 3.74Å; F28-M32 HydrophobicContact CZ-SD 3.98Å; F28-M32 WeakPolarHBondContact O-CG 3.4Å; F28-M32 PolarHBondContact O-N 3.38Å; F28-I86 HydrophobicContact CD2-CG2 3.99Å; F28-I86 HydrophobicContact CE2-CG2 4.29Å; F28-I872 HydrophobicContact CB-CD1 4.08Å; F28-I872 HydrophobicContact CD2-CD1 4.01Å; F28-F875 HydrophobicContact CD2-CE2 4.1Å; F28-F875 HydrophobicContact CD2-CZ 4.11Å; F28-F875 HydrophobicContact CE2-CE2 4.11Å; F28-F875 AromaticContact CE2-CZ 3.93Å; F28-F875 HydrophobicContact CE2-CZ 3.93Å |
| 29 | Y | 89.3 | Confident | 87.3 | Confident | 143 Ų | 143 | 62.8 Ų | 62.8 | 56% | 0.561 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -62 | -42.4 | 177 | -175.5 | -93 | 0 | 0 | 0 | 112.2 | R25 H26 T27 M32 M33 | R25-Y29 PolarHBondContact O-N 3.35Å; H26-Y29 PolarHBondContact O-N 2.73Å; T27-Y29 PolarHBondContact O-N 3.31Å; Y29-M32 PolarHBondContact O-N 2.04Å; Y29-M33 HydrophobicContact CD1-CG 4.47Å; Y29-M33 HydrophobicContact CE1-CE 4.15Å; Y29-M33 HydrophobicContact CE1-CG 4.13Å; Y29-M33 HydrophobicContact CE1-SD 4.44Å; Y29-M33 HydrophobicContact CE2-CE 4.02Å; Y29-M33 PolarHBondContact O-N 3.25Å; Y29-M33 VanDerWaalsContact O-N 3.09Å |
| 30 | N | 89.9 | Confident | 87.7 | Confident | 72 Ų | 72 | 63.9 Ų | 63.9 | 39% | 0.385 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -63.3 | -41.5 | 176.2 | -69.3 | -27.2 | 0 | 0 | 0 | 112.1 | H26 T27 F28 M33 | H26-N30 PolarHBondContact CE1-ND2 3.13Å; H26-N30 PolarHBondContact ND1-ND2 2.96Å; H26-N30 PolarHBondContact O-N 3.17Å; H26-N30 VanDerWaalsContact O-N 3.08Å; H26-N30 PolarHBondContact O-ND2 3.31Å; T27-N30 PolarHBondContact O-N 3.16Å; F28-N30 PolarHBondContact O-N 2.95Å; N30-M33 WeakPolarHBondContact O-CB 3.39Å; N30-M33 PolarHBondContact O-N 2.92Å |
| 31 | D | 91.4 | Very high | 88 | Confident | 3 Ų | 3 | 63.5 Ų | 63.5 | 2% | 0.016 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -66.2 | -37.6 | 175.2 | -79.2 | -8.4 | 0 | 0 | 0 | 111.3 | T27 F28 M33 L34 F93 C870 V871 I872 | T27-D31 PolarHBondContact O-N 3.38Å; F28-D31 PolarHBondContact O-N 3.13Å; D31-M33 VanDerWaalsContact C-N 3.28Å; D31-M33 PolarHBondContact O-N 3.32Å; D31-L34 VanDerWaalsContact O-CB 3.27Å; D31-L34 WeakPolarHBondContact O-CB 3.42Å; D31-L34 PolarHBondContact O-N 3.48Å; D31-F93 WeakPolarHBondContact O-CZ 3.25Å; D31-C870 WeakPolarHBondContact OD1-CA 3.34Å; D31-V871 PolarHBondContact OD1-N 2.94Å; D31-V871 PolarHBondContact OD2-N 3.22Å; D31-I872 WeakPolarHBondContact OD2-CB 3.31Å; D31-I872 VanDerWaalsContact OD2-CG1 3.28Å; D31-I872 WeakPolarHBondContact OD2-CG1 3.32Å; D31-I872 PolarHBondContact OD2-N 2.92Å |
| 32 | M | 89.3 | Confident | 88.3 | Confident | 33 Ų | 33 | 58.5 Ų | 58.5 | 16% | 0.163 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -63.6 | -30 | 174.2 | -74 | -59.3 | 99.5 | 0 | 0 | 113.3 | F28 Y29 L34 A35 F93 F875 | F28-M32 HydrophobicContact CD1-CG 4.2Å; F28-M32 HydrophobicContact CE1-CG 3.75Å; F28-M32 HydrophobicContact CE2-CE 3.98Å; F28-M32 HydrophobicContact CE2-CG 4.17Å; F28-M32 HydrophobicContact CE2-SD 4.31Å; F28-M32 HydrophobicContact CZ-CE 4.27Å; F28-M32 HydrophobicContact CZ-CG 3.74Å; F28-M32 HydrophobicContact CZ-SD 3.98Å; F28-M32 WeakPolarHBondContact O-CG 3.4Å; F28-M32 PolarHBondContact O-N 3.38Å; Y29-M32 PolarHBondContact O-N 2.04Å; M32-L34 PolarHBondContact O-N 2.96Å; M32-A35 WeakPolarHBondContact O-CB 3.42Å; M32-A35 PolarHBondContact O-N 2.87Å; M32-F93 HydrophobicContact CE-CD2 4.43Å; M32-F93 HydrophobicContact CE-CE2 3.51Å; M32-F93 HydrophobicContact CE-CZ 4.2Å; M32-F875 HydrophobicContact CE-CD2 4.47Å; M32-F875 HydrophobicContact CE-CE2 3.8Å |
| 33 | M | 89.7 | Confident | 88.4 | Confident | 84 Ų | 84 | 57.4 Ų | 57.4 | 41% | 0.414 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -64.3 | -28.1 | 172.7 | -69.3 | -65.3 | 113 | 0 | 0 | 112.4 | Y29 N30 D31 A35 V36 I37 | Y29-M33 HydrophobicContact CD1-CG 4.47Å; Y29-M33 HydrophobicContact CE1-CE 4.15Å; Y29-M33 HydrophobicContact CE1-CG 4.13Å; Y29-M33 HydrophobicContact CE1-SD 4.44Å; Y29-M33 HydrophobicContact CE2-CE 4.02Å; Y29-M33 PolarHBondContact O-N 3.25Å; Y29-M33 VanDerWaalsContact O-N 3.09Å; N30-M33 WeakPolarHBondContact O-CB 3.39Å; N30-M33 PolarHBondContact O-N 2.92Å; D31-M33 VanDerWaalsContact C-N 3.28Å; D31-M33 PolarHBondContact O-N 3.32Å; M33-A35 PolarHBondContact O-N 3.17Å; M33-V36 WeakPolarHBondContact O-CB 3.26Å; M33-V36 PolarHBondContact O-N 3.07Å; M33-I37 PolarHBondContact O-N 2.98Å |
| 34 | L | 90.2 | Very high | 88.6 | Confident | 39 Ų | 39 | 58.3 Ų | 58.3 | 20% | 0.204 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -66.4 | -26.7 | 172 | -61.1 | 170.9 | 0 | 0 | 0 | 112.1 | D31 M32 V36 I37 S38 F93 F869 | D31-L34 VanDerWaalsContact O-CB 3.27Å; D31-L34 WeakPolarHBondContact O-CB 3.42Å; D31-L34 PolarHBondContact O-N 3.48Å; M32-L34 PolarHBondContact O-N 2.96Å; L34-V36 VanDerWaalsContact C-N 3.29Å; L34-V36 PolarHBondContact O-N 3.4Å; L34-I37 HydrophobicContact CD2-CD1 4.17Å; L34-I37 PolarHBondContact O-N 3.43Å; L34-S38 PolarHBondContact O-N 3.44Å; L34-F93 HydrophobicContact CB-CE1 4.3Å; L34-F93 HydrophobicContact CB-CZ 4.47Å; L34-F869 HydrophobicContact CD1-CB 4.22Å |
| 35 | A | 87.3 | Confident | 88.6 | Confident | 12 Ų | 12 | 58.7 Ų | 58.7 | 10% | 0.099 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -65.4 | -34.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | M32 M33 S38 G39 F93 | M32-A35 WeakPolarHBondContact O-CB 3.42Å; M32-A35 PolarHBondContact O-N 2.87Å; M33-A35 PolarHBondContact O-N 3.17Å; A35-S38 WeakPolarHBondContact O-CB 3.13Å; A35-S38 PolarHBondContact O-N 3.2Å; A35-G39 PolarHBondContact O-N 3.48Å; A35-F93 HydrophobicContact CB-CD1 3.85Å; A35-F93 HydrophobicContact CB-CD2 4.32Å; A35-F93 HydrophobicContact CB-CE1 3.52Å; A35-F93 HydrophobicContact CB-CE2 4.03Å; A35-F93 HydrophobicContact CB-CG 4.25Å; A35-F93 HydrophobicContact CB-CZ 3.61Å; A35-F93 VanDerWaalsContact N-CE1 3.31Å |
| 36 | V | 88.9 | Confident | 88.5 | Confident | 89 Ų | 89 | 51.1 Ų | 51.1 | 54% | 0.539 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -63.9 | -43 | 174.7 | -178.7 | 0 | 0 | 0 | 0 | 110.5 | M33 L34 S38 G39 V40 | M33-V36 WeakPolarHBondContact O-CB 3.26Å; M33-V36 PolarHBondContact O-N 3.07Å; L34-V36 VanDerWaalsContact C-N 3.29Å; L34-V36 PolarHBondContact O-N 3.4Å; V36-S38 VanDerWaalsContact C-N 3.31Å; V36-S38 PolarHBondContact O-N 3.05Å; V36-G39 PolarHBondContact O-N 2.69Å; V36-V40 WeakPolarHBondContact O-CG2 3.41Å; V36-V40 PolarHBondContact O-N 2.94Å |
| 37 | I | 88.8 | Confident | 88.4 | Confident | 95 Ų | 95 | 50.2 Ų | 50.2 | 49% | 0.487 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -60.8 | -43.3 | 175 | -60.6 | 174.2 | 0 | 0 | 0 | 110.3 | M33 L34 G39 V40 C41 | M33-I37 PolarHBondContact O-N 2.98Å; L34-I37 HydrophobicContact CD2-CD1 4.17Å; L34-I37 PolarHBondContact O-N 3.43Å; I37-G39 PolarHBondContact O-N 2.84Å; I37-V40 PolarHBondContact O-N 3.15Å; I37-C41 PolarHBondContact O-N 2.82Å; I37-C41 PolarHBondContact O-SG 2.91Å; I37-C41 VanDerWaalsContact O-SG 3.4Å |
| 38 | S | 86.4 | Confident | 88.2 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -57.1 | -47.7 | 173.5 | -163.2 | 0 | 0 | 0 | 0 | 112.1 | L34 A35 V36 V40 C41 I42 S863 | L34-S38 PolarHBondContact O-N 3.44Å; A35-S38 WeakPolarHBondContact O-CB 3.13Å; A35-S38 PolarHBondContact O-N 3.2Å; V36-S38 VanDerWaalsContact C-N 3.31Å; V36-S38 PolarHBondContact O-N 3.05Å; S38-V40 VanDerWaalsContact C-N 3.3Å; S38-V40 PolarHBondContact O-N 3.01Å; S38-C41 PolarHBondContact O-N 3.08Å; S38-I42 VanDerWaalsContact O-CG1 3.29Å; S38-I42 WeakPolarHBondContact O-CG1 3.37Å; S38-I42 PolarHBondContact O-N 3.42Å; S38-S863 PolarHBondContact OG-O 3.29Å |
| 39 | G | 88.1 | Confident | 87.6 | Confident | 15 Ų | 15 | 51.8 Ų | 51.8 | 16% | 0.155 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -58.3 | -39.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | A35 V36 I37 T43 | A35-G39 PolarHBondContact O-N 3.48Å; V36-G39 PolarHBondContact O-N 2.69Å; I37-G39 PolarHBondContact O-N 2.84Å; G39-T43 WeakPolarHBondContact O-CB 3.46Å; G39-T43 PolarHBondContact O-N 3.42Å; G39-T43 PolarHBondContact O-OG1 3.16Å |
| 40 | V | 89.4 | Confident | 86.9 | Confident | 88 Ų | 88 | 45 Ų | 45 | 53% | 0.533 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -66.2 | -47.7 | 175 | 175 | 0 | 0 | 0 | 0 | 111.2 | V36 I37 S38 I42 T43 V44 | V36-V40 WeakPolarHBondContact O-CG2 3.41Å; V36-V40 PolarHBondContact O-N 2.94Å; I37-V40 PolarHBondContact O-N 3.15Å; S38-V40 VanDerWaalsContact C-N 3.3Å; S38-V40 PolarHBondContact O-N 3.01Å; V40-I42 VanDerWaalsContact C-N 3.31Å; V40-I42 PolarHBondContact O-N 3.12Å; V40-T43 WeakPolarHBondContact O-CB 3.34Å; V40-T43 PolarHBondContact O-N 3.4Å; V40-V44 WeakPolarHBondContact O-CG2 3.08Å; V40-V44 PolarHBondContact O-N 2.86Å |
| 41 | C | 89.2 | Confident | 86.2 | Confident | 58 Ų | 58 | 43.8 Ų | 43.8 | 39% | 0.392 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -58 | -43.7 | 177.7 | -70.3 | 0 | 0 | 0 | 0 | 112 | I37 S38 V44 L45 I862 | I37-C41 PolarHBondContact O-N 2.82Å; I37-C41 PolarHBondContact O-SG 2.91Å; I37-C41 VanDerWaalsContact O-SG 3.4Å; S38-C41 PolarHBondContact O-N 3.08Å; C41-V44 PolarHBondContact O-N 3.41Å; C41-L45 WeakPolarHBondContact O-CB 3.35Å; C41-L45 PolarHBondContact O-N 3.33Å; C41-I862 HydrophobicContact CB-CG2 4.47Å |
| 42 | I | 88 | Confident | 85.4 | Confident | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -69.6 | -39.6 | 178.4 | -61.4 | 161.4 | 0 | 0 | 0 | 110.7 | S38 V40 V44 L45 V46 I96 V100 | S38-I42 VanDerWaalsContact O-CG1 3.29Å; S38-I42 WeakPolarHBondContact O-CG1 3.37Å; S38-I42 PolarHBondContact O-N 3.42Å; V40-I42 VanDerWaalsContact C-N 3.31Å; V40-I42 PolarHBondContact O-N 3.12Å; I42-V44 VanDerWaalsContact C-N 3.3Å; I42-V44 PolarHBondContact O-N 2.84Å; I42-L45 CarbonylContact O-C 3.6Å; I42-L45 WeakPolarHBondContact O-CB 3.08Å; I42-L45 PolarHBondContact O-N 3.27Å; I42-L45 VanDerWaalsContact O-N 3.09Å; I42-V46 HydrophobicContact CG2-CG2 3.81Å; I42-V46 WeakPolarHBondContact O-CG2 3.44Å; I42-V46 PolarHBondContact O-N 3.31Å; I42-I96 HydrophobicContact CB-CG2 3.97Å; I42-I96 HydrophobicContact CD1-CB 3.72Å; I42-I96 HydrophobicContact CD1-CG2 3.51Å; I42-I96 HydrophobicContact CG1-CG2 4.36Å; I42-I96 HydrophobicContact CG2-CG2 3.64Å; I42-V100 HydrophobicContact CG2-CG2 3.96Å |
| 43 | T | 88.2 | Confident | 85.2 | Confident | 57 Ų | 57 | 47.6 Ų | 47.6 | 35% | 0.35 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -57.4 | -44.3 | 175.7 | -61.6 | 0 | 0 | 0 | 0 | 111.4 | G39 V40 V46 Y47 L61 | G39-T43 WeakPolarHBondContact O-CB 3.46Å; G39-T43 PolarHBondContact O-N 3.42Å; G39-T43 PolarHBondContact O-OG1 3.16Å; V40-T43 WeakPolarHBondContact O-CB 3.34Å; V40-T43 PolarHBondContact O-N 3.4Å; T43-V46 PolarHBondContact O-N 3.32Å; T43-Y47 VanDerWaalsContact O-CB 3.29Å; T43-Y47 WeakPolarHBondContact O-CB 3.24Å; T43-Y47 PolarHBondContact O-N 3.09Å; T43-L61 HydrophobicContact CG2-CD1 3.63Å; T43-L61 WeakPolarHBondContact OG1-CD1 3.26Å |
| 44 | V | 88.6 | Confident | 85 | Confident | 79 Ų | 79 | 48 Ų | 48 | 48% | 0.479 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -62.9 | -43.3 | 174.7 | 173.6 | 0 | 0 | 0 | 0 | 111 | V40 C41 I42 Y47 I48 | V40-V44 WeakPolarHBondContact O-CG2 3.08Å; V40-V44 PolarHBondContact O-N 2.86Å; C41-V44 PolarHBondContact O-N 3.41Å; I42-V44 VanDerWaalsContact C-N 3.3Å; I42-V44 PolarHBondContact O-N 2.84Å; V44-Y47 WeakPolarHBondContact O-CB 3.24Å; V44-Y47 PolarHBondContact O-N 2.96Å; V44-I48 HydrophobicContact CG1-CD1 4.1Å; V44-I48 WeakPolarHBondContact O-CG1 3.25Å; V44-I48 PolarHBondContact O-N 3.16Å |
| 45 | L | 85.6 | Confident | 84.9 | Confident | 25 Ų | 25 | 48.5 Ų | 48.5 | 13% | 0.131 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -63.3 | -48.3 | 178 | -178.4 | 67.7 | 0 | 0 | 0 | 111.9 | C41 I42 Y47 I48 L49 T859 I862 | C41-L45 WeakPolarHBondContact O-CB 3.35Å; C41-L45 PolarHBondContact O-N 3.33Å; I42-L45 CarbonylContact O-C 3.6Å; I42-L45 WeakPolarHBondContact O-CB 3.08Å; I42-L45 PolarHBondContact O-N 3.27Å; I42-L45 VanDerWaalsContact O-N 3.09Å; L45-Y47 PolarHBondContact O-N 3.49Å; L45-I48 PolarHBondContact O-N 3.41Å; L45-I48 VanDerWaalsContact O-N 3.1Å; L45-L49 HydrophobicContact CD1-CD1 4.28Å; L45-L49 HydrophobicContact CD1-CG 4.35Å; L45-L49 HydrophobicContact CD2-CD1 4.44Å; L45-L49 HydrophobicContact CG-CD1 3.88Å; L45-L49 HydrophobicContact CG-CG 4.33Å; L45-L49 WeakPolarHBondContact O-CB 3.38Å; L45-L49 VanDerWaalsContact O-CG 3.28Å; L45-L49 WeakPolarHBondContact O-CG 3.46Å; L45-L49 PolarHBondContact O-N 2.83Å; L45-T859 HydrophobicContact CD2-CG2 3.51Å; L45-T859 HydrophobicContact CG-CG2 4.19Å; L45-I862 HydrophobicContact CD1-CD1 3.97Å; L45-I862 HydrophobicContact CD2-CB 4.23Å; L45-I862 HydrophobicContact CD2-CD1 3.62Å; L45-I862 HydrophobicContact CD2-CG1 4.48Å; L45-I862 HydrophobicContact CD2-CG2 4.39Å; L45-I862 HydrophobicContact CG-CD1 4.38Å |
| 46 | V | 84.8 | Confident | 84.9 | Confident | 6 Ų | 6 | 47.9 Ų | 47.9 | 4% | 0.036 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -57.7 | -43 | 176.3 | -178.4 | 0 | 0 | 0 | 0 | 109.4 | I42 T43 I48 L49 T50 T57 V100 | I42-V46 HydrophobicContact CG2-CG2 3.81Å; I42-V46 WeakPolarHBondContact O-CG2 3.44Å; I42-V46 PolarHBondContact O-N 3.31Å; T43-V46 PolarHBondContact O-N 3.32Å; V46-I48 VanDerWaalsContact C-N 3.31Å; V46-I48 PolarHBondContact O-N 2.88Å; V46-L49 PolarHBondContact O-N 2.68Å; V46-L49 VanDerWaalsContact O-N 3.14Å; V46-T50 HydrophobicContact CG1-CG2 3.98Å; V46-T50 WeakPolarHBondContact O-CG2 2.93Å; V46-T50 PolarHBondContact O-N 3.01Å; V46-T50 PolarHBondContact O-OG1 3.31Å; V46-T50 VanDerWaalsContact O-OG1 3.08Å; V46-T57 HydrophobicContact CB-CG2 4.49Å; V46-T57 HydrophobicContact CG1-CG2 3.89Å; V46-V100 HydrophobicContact CG2-CB 4.21Å; V46-V100 HydrophobicContact CG2-CG1 3.45Å; V46-V100 VanDerWaalsContact CG2-CG1 3.45Å; V46-V100 HydrophobicContact CG2-CG2 3.6Å |
| 47 | Y | 85.9 | Confident | 85 | Confident | 86 Ų | 86 | 44.2 Ų | 44.2 | 34% | 0.337 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -59.4 | -39.5 | 176.8 | 177.3 | -114 | 0 | 0 | 0 | 113.4 | T43 V44 L45 T50 F52 V54 T57 | T43-Y47 VanDerWaalsContact O-CB 3.29Å; T43-Y47 WeakPolarHBondContact O-CB 3.24Å; T43-Y47 PolarHBondContact O-N 3.09Å; V44-Y47 WeakPolarHBondContact O-CB 3.24Å; V44-Y47 PolarHBondContact O-N 2.96Å; L45-Y47 PolarHBondContact O-N 3.49Å; Y47-T50 PolarHBondContact O-OG1 3.32Å; Y47-F52 AromaticContact CD1-CD1 3.96Å; Y47-F52 HydrophobicContact CD1-CD1 3.96Å; Y47-F52 HydrophobicContact CE1-CB 4.45Å; Y47-F52 AromaticContact CE1-CD1 3.47Å; Y47-F52 HydrophobicContact CE1-CD1 3.47Å; Y47-F52 VanDerWaalsContact CE1-CD1 3.47Å; Y47-F52 HydrophobicContact CE1-CE1 4.21Å; Y47-F52 HydrophobicContact CE1-CG 4.44Å; Y47-F52 VanDerWaalsContact CE2-C 3.43Å; Y47-F52 HydrophobicContact CE2-CB 4.13Å; Y47-F52 VanDerWaalsContact CE2-O 3.23Å; Y47-F52 WeakPolarHBondContact CE2-O 3.5Å; Y47-F52 AromaticContact CZ-CD1 3.79Å; Y47-F52 VanDerWaalsContact O-CA 3.3Å; Y47-F52 WeakPolarHBondContact O-CA 3.23Å; Y47-F52 PolarHBondContact O-N 2.88Å; Y47-V54 HydrophobicContact CD2-CG2 4.47Å; Y47-V54 HydrophobicContact CE2-CG2 3.7Å; Y47-T57 VanDerWaalsContact CA-CG2 3.43Å; Y47-T57 HydrophobicContact CD2-CG2 4.23Å |
| 48 | I | 83.1 | Confident | 85.1 | Confident | 69 Ų | 69 | 45.9 Ų | 45.9 | 35% | 0.354 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -68.7 | -44.7 | 173.7 | -65.3 | 164.7 | 0 | 0 | 0 | 110.6 | V44 L45 V46 T50 S51 F52 | V44-I48 HydrophobicContact CG1-CD1 4.1Å; V44-I48 WeakPolarHBondContact O-CG1 3.25Å; V44-I48 PolarHBondContact O-N 3.16Å; L45-I48 PolarHBondContact O-N 3.41Å; L45-I48 VanDerWaalsContact O-N 3.1Å; V46-I48 VanDerWaalsContact C-N 3.31Å; V46-I48 PolarHBondContact O-N 2.88Å; I48-T50 PolarHBondContact O-N 2.93Å; I48-S51 PolarHBondContact O-N 2.75Å; I48-F52 HydrophobicContact CG1-CE1 4.06Å; I48-F52 HydrophobicContact CG1-CZ 4.42Å |
| 49 | L | 77.4 | Confident | 85.4 | Confident | 35 Ų | 35 | 48.7 Ų | 48.7 | 18% | 0.183 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -67.4 | -34.4 | -177 | -69.5 | 175.9 | 0 | 0 | 0 | 113.1 | L45 V46 S51 F104 S855 T859 | L45-L49 HydrophobicContact CD1-CD1 4.28Å; L45-L49 HydrophobicContact CD1-CG 4.35Å; L45-L49 HydrophobicContact CD2-CD1 4.44Å; L45-L49 HydrophobicContact CG-CD1 3.88Å; L45-L49 HydrophobicContact CG-CG 4.33Å; L45-L49 WeakPolarHBondContact O-CB 3.38Å; L45-L49 VanDerWaalsContact O-CG 3.28Å; L45-L49 WeakPolarHBondContact O-CG 3.46Å; L45-L49 PolarHBondContact O-N 2.83Å; V46-L49 PolarHBondContact O-N 2.68Å; V46-L49 VanDerWaalsContact O-N 3.14Å; L49-S51 PolarHBondContact O-N 2.86Å; L49-F104 HydrophobicContact CB-CD2 4.09Å; L49-F104 HydrophobicContact CB-CE2 3.86Å; L49-S855 VanDerWaalsContact CD1-OG 3.31Å; L49-S855 WeakPolarHBondContact CD1-OG 3Å; L49-S855 VanDerWaalsContact CD2-OG 3.26Å; L49-S855 WeakPolarHBondContact CD2-OG 3.29Å; L49-T859 HydrophobicContact CD1-CG2 3.4Å |
| 50 | T | 75.6 | Confident | 85.5 | Confident | 1 Ų | 1 | 48 Ų | 48 | 1% | 0.006 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.3 | 11.8 | 172.9 | 63 | 0 | 0 | 0 | 0 | 112.9 | V46 Y47 I48 S53 L56 T57 I107 R111 | V46-T50 HydrophobicContact CG1-CG2 3.98Å; V46-T50 WeakPolarHBondContact O-CG2 2.93Å; V46-T50 PolarHBondContact O-N 3.01Å; V46-T50 PolarHBondContact O-OG1 3.31Å; V46-T50 VanDerWaalsContact O-OG1 3.08Å; Y47-T50 PolarHBondContact O-OG1 3.32Å; I48-T50 PolarHBondContact O-N 2.93Å; T50-S53 PolarHBondContact OG1-O 3.44Å; T50-L56 HydrophobicContact CG2-CB 4.46Å; T50-T57 HydrophobicContact CG2-CG2 3.92Å; T50-T57 WeakPolarHBondContact OG1-CG2 3.41Å; T50-I107 HydrophobicContact CG2-CD1 3.61Å; T50-R111 PolarHBondContact O-NH2 3.26Å |
| 51 | S | 73.8 | Confident | 85.6 | Confident | 45 Ų | 45 | 46 Ų | 46 | 32% | 0.315 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 60.5 | 44.5 | -179.5 | -50.7 | 0 | 0 | 0 | 0 | 113.3 | I48 L49 S53 R111 | I48-S51 PolarHBondContact O-N 2.75Å; L49-S51 PolarHBondContact O-N 2.86Å; S51-S53 PolarHBondContact O-N 2.92Å; S51-R111 PolarHBondContact OG-NH1 2.75Å |
| 52 | F | 75.8 | Confident | 85.8 | Confident | 115 Ų | 115 | 44.6 Ų | 44.6 | 50% | 0.504 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 65.7 | 19.5 | 174.6 | -52.4 | -79.6 | 0 | 0 | 0 | 115.2 | Y47 I48 V54 | Y47-F52 AromaticContact CD1-CD1 3.96Å; Y47-F52 HydrophobicContact CD1-CD1 3.96Å; Y47-F52 HydrophobicContact CE1-CB 4.45Å; Y47-F52 AromaticContact CE1-CD1 3.47Å; Y47-F52 HydrophobicContact CE1-CD1 3.47Å; Y47-F52 VanDerWaalsContact CE1-CD1 3.47Å; Y47-F52 HydrophobicContact CE1-CE1 4.21Å; Y47-F52 HydrophobicContact CE1-CG 4.44Å; Y47-F52 VanDerWaalsContact CE2-C 3.43Å; Y47-F52 HydrophobicContact CE2-CB 4.13Å; Y47-F52 VanDerWaalsContact CE2-O 3.23Å; Y47-F52 WeakPolarHBondContact CE2-O 3.5Å; Y47-F52 AromaticContact CZ-CD1 3.79Å; Y47-F52 VanDerWaalsContact O-CA 3.3Å; Y47-F52 WeakPolarHBondContact O-CA 3.23Å; Y47-F52 PolarHBondContact O-N 2.88Å; I48-F52 HydrophobicContact CG1-CE1 4.06Å; I48-F52 HydrophobicContact CG1-CZ 4.42Å; F52-V54 PolarHBondContact O-N 2.87Å |
| 53 | S | 83.8 | Confident | 86.1 | Confident | 2 Ų | 2 | 44.7 Ų | 44.7 | 1% | 0.014 | 23% | 0.233 | C | C | . | . | trans | -82.8 | 115.5 | 171.1 | 179.2 | 0 | 0 | 0 | 0 | 110.8 | T50 S51 F55 T57 W185 E193 | T50-S53 PolarHBondContact OG1-O 3.44Å; S51-S53 PolarHBondContact O-N 2.92Å; S53-F55 VanDerWaalsContact C-N 3.34Å; S53-T57 VanDerWaalsContact O-CG2 3.3Å; S53-T57 WeakPolarHBondContact O-CG2 3.25Å; S53-T57 PolarHBondContact O-N 3.13Å; S53-T57 PolarHBondContact O-OG1 2.77Å; S53-W185 PolarHBondContact OG-NE1 3.26Å; S53-E193 WeakPolarHBondContact CA-OE1 3.44Å; S53-E193 WeakPolarHBondContact CB-OE1 3.35Å; S53-E193 PolarHBondContact OG-OE1 2.84Å; S53-E193 PolarHBondContact OG-OE2 2.85Å | ||
| 54 | V | 85.7 | Confident | 86.3 | Confident | 93 Ų | 93 | 42.4 Ų | 42.4 | 56% | 0.564 | 22% | 0.219 | S | C | * | . | H | α-helix | trans | -70.9 | -32 | 178.3 | 180 | 0 | 0 | 0 | 0 | 111.4 | Y47 F52 T57 F58 | Y47-V54 HydrophobicContact CD2-CG2 4.47Å; Y47-V54 HydrophobicContact CE2-CG2 3.7Å; F52-V54 PolarHBondContact O-N 2.87Å; V54-T57 WeakPolarHBondContact CA-OG1 3.22Å; V54-T57 PolarHBondContact O-OG1 2Å; V54-F58 WeakPolarHBondContact O-CB 3.42Å; V54-F58 PolarHBondContact O-N 2.87Å; V54-F58 VanDerWaalsContact O-N 3.07Å |
| 55 | F | 89.5 | Confident | 86.4 | Confident | 48 Ų | 48 | 40.4 Ų | 40.4 | 21% | 0.211 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -66.3 | -49.7 | -178.9 | -176.9 | -89.5 | 0 | 0 | 0 | 111.3 | S53 T57 F58 F59 A181 I184 W185 V189 | S53-F55 VanDerWaalsContact C-N 3.34Å; F55-T57 VanDerWaalsContact C-N 3.33Å; F55-T57 PolarHBondContact O-N 2.87Å; F55-F58 PolarHBondContact O-N 3.34Å; F55-F59 HydrophobicContact CD1-CD2 4.03Å; F55-F59 HydrophobicContact CD1-CE2 4.4Å; F55-F59 HydrophobicContact CD2-CD2 4.19Å; F55-F59 AromaticContact CD2-CE2 3.87Å; F55-F59 HydrophobicContact CD2-CE2 3.87Å; F55-F59 AromaticContact CE1-CD2 3.7Å; F55-F59 HydrophobicContact CE1-CD2 3.7Å; F55-F59 AromaticContact CE1-CE2 3.89Å; F55-F59 HydrophobicContact CE1-CE2 3.89Å; F55-F59 AromaticContact CE2-CD2 3.92Å; F55-F59 HydrophobicContact CE2-CD2 3.92Å; F55-F59 AromaticContact CE2-CE2 3.31Å; F55-F59 HydrophobicContact CE2-CE2 3.31Å; F55-F59 HydrophobicContact CE2-CZ 4.29Å; F55-F59 HydrophobicContact CG-CD2 4.25Å; F55-F59 HydrophobicContact CG-CE2 4.39Å; F55-F59 AromaticContact CZ-CD2 3.64Å; F55-F59 HydrophobicContact CZ-CD2 3.64Å; F55-F59 AromaticContact CZ-CE2 3.31Å; F55-F59 HydrophobicContact CZ-CE2 3.31Å; F55-F59 HydrophobicContact CZ-CZ 4.19Å; F55-F59 WeakPolarHBondContact O-CD2 3.16Å; F55-F59 PolarHBondContact O-N 3.44Å; F55-F59 VanDerWaalsContact O-N 3.16Å; F55-A181 HydrophobicContact CE1-CB 4.26Å; F55-A181 WeakPolarHBondContact CE1-O 3.16Å; F55-I184 HydrophobicContact CE1-CB 4.42Å; F55-I184 HydrophobicContact CE1-CG2 4.32Å; F55-I184 HydrophobicContact CE2-CG2 4.27Å; F55-I184 HydrophobicContact CZ-CB 4.07Å; F55-I184 HydrophobicContact CZ-CG2 3.61Å; F55-W185 HydrophobicContact CD1-CB 3.98Å; F55-W185 HydrophobicContact CD1-CG 4.47Å; F55-W185 HydrophobicContact CE1-CB 4.08Å; F55-V189 HydrophobicContact CB-CG1 4.03Å; F55-V189 HydrophobicContact CD1-CG2 4.36Å; F55-V189 HydrophobicContact CD2-CG2 3.95Å; F55-V189 HydrophobicContact CE2-CG2 4.19Å; F55-V189 HydrophobicContact CG-CG1 4.4Å; F55-V189 HydrophobicContact CG-CG2 4.03Å |
| 56 | L | 87.4 | Confident | 86.9 | Confident | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -66.5 | -35 | -178.7 | -65.5 | 176.3 | 0 | 0 | 0 | 112.2 | T50 G60 I107 M178 L182 W185 | T50-L56 HydrophobicContact CG2-CB 4.46Å; L56-G60 PolarHBondContact O-N 3.24Å; L56-I107 HydrophobicContact CB-CD1 4.38Å; L56-M178 HydrophobicContact CD2-CE 3.8Å; L56-L182 HydrophobicContact CD2-CD2 3.89Å; L56-W185 HydrophobicContact CD1-CD2 3.98Å; L56-W185 HydrophobicContact CD1-CG 4.16Å; L56-W185 HydrophobicContact CD1-CZ2 4.47Å; L56-W185 HydrophobicContact CD2-CB 3.88Å; L56-W185 HydrophobicContact CD2-CD2 4.35Å; L56-W185 HydrophobicContact CD2-CG 3.84Å; L56-W185 HydrophobicContact CG-CD2 4.34Å; L56-W185 HydrophobicContact CG-CG 3.98Å |
| 57 | T | 89.7 | Confident | 87.3 | Confident | 11 Ų | 11 | 42.3 Ų | 42.3 | 7% | 0.067 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -69.7 | -41 | 177.2 | 55 | 0 | 0 | 0 | 0 | 112.3 | V46 Y47 T50 S53 V54 F55 G60 L61 | V46-T57 HydrophobicContact CB-CG2 4.49Å; V46-T57 HydrophobicContact CG1-CG2 3.89Å; Y47-T57 VanDerWaalsContact CA-CG2 3.43Å; Y47-T57 HydrophobicContact CD2-CG2 4.23Å; T50-T57 HydrophobicContact CG2-CG2 3.92Å; T50-T57 WeakPolarHBondContact OG1-CG2 3.41Å; S53-T57 VanDerWaalsContact O-CG2 3.3Å; S53-T57 WeakPolarHBondContact O-CG2 3.25Å; S53-T57 PolarHBondContact O-N 3.13Å; S53-T57 PolarHBondContact O-OG1 2.77Å; V54-T57 WeakPolarHBondContact CA-OG1 3.22Å; V54-T57 PolarHBondContact O-OG1 2Å; F55-T57 VanDerWaalsContact C-N 3.33Å; F55-T57 PolarHBondContact O-N 2.87Å; T57-G60 PolarHBondContact O-N 2.95Å; T57-L61 WeakPolarHBondContact O-CB 3.25Å; T57-L61 WeakPolarHBondContact O-CG 3.18Å; T57-L61 PolarHBondContact O-N 3.12Å |
| 58 | F | 91.8 | Very high | 87.6 | Confident | 131 Ų | 131 | 40.1 Ų | 40.1 | 58% | 0.575 | 22% | 0.22 | S | C | * | . | H | α-helix | trans | -60.4 | -51.8 | 176.8 | 175.8 | -99.4 | 0 | 0 | 0 | 111.5 | V54 F55 G60 L61 A62 | V54-F58 WeakPolarHBondContact O-CB 3.42Å; V54-F58 PolarHBondContact O-N 2.87Å; V54-F58 VanDerWaalsContact O-N 3.07Å; F55-F58 PolarHBondContact O-N 3.34Å; F58-G60 VanDerWaalsContact C-N 3.35Å; F58-G60 PolarHBondContact O-N 2.99Å; F58-L61 PolarHBondContact O-N 3.4Å; F58-A62 WeakPolarHBondContact O-CB 3.42Å; F58-A62 PolarHBondContact O-N 3.26Å |
| 59 | F | 92.6 | Very high | 88.1 | Confident | 58 Ų | 58 | 42.2 Ų | 42.2 | 25% | 0.254 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -67.5 | -34.5 | 179.8 | -80.2 | -77 | 0 | 0 | 0 | 112.8 | F55 A63 L177 A181 | F55-F59 HydrophobicContact CD1-CD2 4.03Å; F55-F59 HydrophobicContact CD1-CE2 4.4Å; F55-F59 HydrophobicContact CD2-CD2 4.19Å; F55-F59 AromaticContact CD2-CE2 3.87Å; F55-F59 HydrophobicContact CD2-CE2 3.87Å; F55-F59 AromaticContact CE1-CD2 3.7Å; F55-F59 HydrophobicContact CE1-CD2 3.7Å; F55-F59 AromaticContact CE1-CE2 3.89Å; F55-F59 HydrophobicContact CE1-CE2 3.89Å; F55-F59 AromaticContact CE2-CD2 3.92Å; F55-F59 HydrophobicContact CE2-CD2 3.92Å; F55-F59 AromaticContact CE2-CE2 3.31Å; F55-F59 HydrophobicContact CE2-CE2 3.31Å; F55-F59 HydrophobicContact CE2-CZ 4.29Å; F55-F59 HydrophobicContact CG-CD2 4.25Å; F55-F59 HydrophobicContact CG-CE2 4.39Å; F55-F59 AromaticContact CZ-CD2 3.64Å; F55-F59 HydrophobicContact CZ-CD2 3.64Å; F55-F59 AromaticContact CZ-CE2 3.31Å; F55-F59 HydrophobicContact CZ-CE2 3.31Å; F55-F59 HydrophobicContact CZ-CZ 4.19Å; F55-F59 WeakPolarHBondContact O-CD2 3.16Å; F55-F59 PolarHBondContact O-N 3.44Å; F55-F59 VanDerWaalsContact O-N 3.16Å; F59-A63 PolarHBondContact O-N 2.91Å; F59-L177 HydrophobicContact CD1-CD1 4Å; F59-L177 HydrophobicContact CD1-CD2 4.19Å; F59-L177 HydrophobicContact CD1-CG 4.15Å; F59-L177 HydrophobicContact CE1-CD1 4.44Å; F59-A181 HydrophobicContact CB-CB 3.85Å; F59-A181 HydrophobicContact CD2-CB 4.43Å; F59-A181 HydrophobicContact CG-CB 4.03Å |
| 60 | G | 90.5 | Very high | 88.9 | Confident | 2 Ų | 2 | 44.2 Ų | 44.2 | 2% | 0.021 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -61.4 | -49.6 | 173 | 0 | 0 | 0 | 0 | 0 | 112.7 | L56 T57 F58 A63 I64 | L56-G60 PolarHBondContact O-N 3.24Å; T57-G60 PolarHBondContact O-N 2.95Å; F58-G60 VanDerWaalsContact C-N 3.35Å; F58-G60 PolarHBondContact O-N 2.99Å; G60-A63 WeakPolarHBondContact O-CB 3.41Å; G60-A63 PolarHBondContact O-N 3.35Å; G60-I64 WeakPolarHBondContact O-CG1 3.4Å; G60-I64 PolarHBondContact O-N 3.39Å |
| 61 | L | 91.3 | Very high | 89.8 | Confident | 45 Ų | 45 | 44.2 Ų | 44.2 | 24% | 0.236 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -70.3 | -34.9 | 178.1 | -68.3 | 171.4 | 0 | 0 | 0 | 112.5 | T43 T57 F58 A63 I64 G65 V100 | T43-L61 HydrophobicContact CG2-CD1 3.63Å; T43-L61 WeakPolarHBondContact OG1-CD1 3.26Å; T57-L61 WeakPolarHBondContact O-CB 3.25Å; T57-L61 WeakPolarHBondContact O-CG 3.18Å; T57-L61 PolarHBondContact O-N 3.12Å; F58-L61 PolarHBondContact O-N 3.4Å; L61-A63 VanDerWaalsContact C-N 3.33Å; L61-A63 PolarHBondContact O-N 2.95Å; L61-I64 PolarHBondContact O-N 2.85Å; L61-G65 PolarHBondContact O-N 3.39Å; L61-V100 HydrophobicContact CD2-CG2 4.45Å |
| 62 | A | 92.7 | Very high | 90.7 | Very high | 29 Ų | 29 | 44.4 Ų | 44.4 | 24% | 0.24 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -63.1 | -38.5 | 175 | 0 | 0 | 0 | 0 | 0 | 111.8 | F58 I64 G65 L66 | F58-A62 WeakPolarHBondContact O-CB 3.42Å; F58-A62 PolarHBondContact O-N 3.26Å; A62-I64 VanDerWaalsContact C-N 3.31Å; A62-I64 PolarHBondContact O-N 3.11Å; A62-G65 PolarHBondContact O-N 3.33Å; A62-L66 WeakPolarHBondContact O-CB 3.2Å; A62-L66 VanDerWaalsContact O-CG 3.27Å; A62-L66 WeakPolarHBondContact O-CG 3.29Å; A62-L66 PolarHBondContact O-N 3.34Å |
| 63 | A | 93.7 | Very high | 91.5 | Very high | 2 Ų | 2 | 44.3 Ų | 44.3 | 2% | 0.017 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -57.1 | -46 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | F59 G60 L61 S67 W173 V174 L177 | F59-A63 PolarHBondContact O-N 2.91Å; G60-A63 WeakPolarHBondContact O-CB 3.41Å; G60-A63 PolarHBondContact O-N 3.35Å; L61-A63 VanDerWaalsContact C-N 3.33Å; L61-A63 PolarHBondContact O-N 2.95Å; A63-S67 WeakPolarHBondContact O-CB 2.9Å; A63-S67 PolarHBondContact O-N 3.47Å; A63-W173 HydrophobicContact CB-CB 4.43Å; A63-V174 HydrophobicContact CB-CG2 4.07Å; A63-L177 HydrophobicContact CB-CB 4.48Å; A63-L177 HydrophobicContact CB-CD2 3.94Å |
| 64 | I | 92.6 | Very high | 92 | Very high | 9 Ų | 9 | 46.5 Ų | 46.5 | 5% | 0.046 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -67.1 | -44.9 | -179.7 | -57.7 | 168.9 | 0 | 0 | 0 | 110.2 | G60 L61 A62 L66 S67 C68 I95 G99 V100 | G60-I64 WeakPolarHBondContact O-CG1 3.4Å; G60-I64 PolarHBondContact O-N 3.39Å; L61-I64 PolarHBondContact O-N 2.85Å; A62-I64 VanDerWaalsContact C-N 3.31Å; A62-I64 PolarHBondContact O-N 3.11Å; I64-L66 PolarHBondContact O-N 3.06Å; I64-S67 PolarHBondContact O-N 2.97Å; I64-S67 PolarHBondContact O-OG 3.36Å; I64-C68 PolarHBondContact O-N 3.5Å; I64-C68 VanDerWaalsContact O-N 3.12Å; I64-I95 HydrophobicContact CG2-CG1 4.05Å; I64-G99 VanDerWaalsContact CD1-C 3.49Å; I64-V100 HydrophobicContact CD1-CB 4.44Å; I64-V100 HydrophobicContact CD1-CG2 3.59Å |
| 65 | G | 92.3 | Very high | 92.3 | Very high | 36 Ų | 36 | 42 Ų | 42 | 37% | 0.371 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -59.8 | -47.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113 | L61 A62 S67 C68 L69 | L61-G65 PolarHBondContact O-N 3.39Å; A62-G65 PolarHBondContact O-N 3.33Å; G65-S67 VanDerWaalsContact C-N 3.31Å; G65-S67 PolarHBondContact O-N 2.79Å; G65-C68 PolarHBondContact O-N 3.35Å; G65-L69 PolarHBondContact O-N 2.8Å |
| 66 | L | 94.1 | Very high | 92.3 | Very high | 71 Ų | 71 | 43.1 Ų | 43.1 | 37% | 0.372 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -62.9 | -36.5 | 176.8 | -72.1 | 169.5 | 0 | 0 | 0 | 112.1 | A62 I64 C68 L69 M70 W173 | A62-L66 WeakPolarHBondContact O-CB 3.2Å; A62-L66 VanDerWaalsContact O-CG 3.27Å; A62-L66 WeakPolarHBondContact O-CG 3.29Å; A62-L66 PolarHBondContact O-N 3.34Å; I64-L66 PolarHBondContact O-N 3.06Å; L66-C68 VanDerWaalsContact C-N 3.35Å; L66-C68 PolarHBondContact O-N 2.89Å; L66-L69 PolarHBondContact O-N 3.4Å; L66-M70 PolarHBondContact O-N 3.19Å; L66-W173 HydrophobicContact CB-CD2 4.11Å; L66-W173 HydrophobicContact CB-CG 4.41Å; L66-W173 HydrophobicContact CB-CZ2 4.39Å; L66-W173 HydrophobicContact CD1-CE3 4.27Å; L66-W173 HydrophobicContact CD1-CH2 4.36Å; L66-W173 HydrophobicContact CD1-CZ3 4.12Å |
| 67 | S | 94.6 | Very high | 92.4 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -64.6 | -37.4 | 174.9 | 70.3 | 0 | 0 | 0 | 0 | 113.5 | A63 I64 G65 M70 A71 A170 | A63-S67 WeakPolarHBondContact O-CB 2.9Å; A63-S67 PolarHBondContact O-N 3.47Å; I64-S67 PolarHBondContact O-N 2.97Å; I64-S67 PolarHBondContact O-OG 3.36Å; G65-S67 VanDerWaalsContact C-N 3.31Å; G65-S67 PolarHBondContact O-N 2.79Å; S67-M70 PolarHBondContact O-N 2.76Å; S67-A71 WeakPolarHBondContact O-CB 3.33Å; S67-A71 PolarHBondContact O-N 2.79Å; S67-A170 VanDerWaalsContact CB-CA 3.42Å |
| 68 | C | 92.2 | Very high | 92.5 | Very high | 40 Ų | 40 | 51.5 Ų | 51.5 | 27% | 0.27 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -66.1 | -42.9 | 177.1 | -174.4 | 0 | 0 | 0 | 0 | 110.7 | I64 G65 L66 A71 L72 | I64-C68 PolarHBondContact O-N 3.5Å; I64-C68 VanDerWaalsContact O-N 3.12Å; G65-C68 PolarHBondContact O-N 3.35Å; L66-C68 VanDerWaalsContact C-N 3.35Å; L66-C68 PolarHBondContact O-N 2.89Å; C68-A71 PolarHBondContact O-N 2.82Å; C68-L72 WeakPolarHBondContact O-CG 3.38Å; C68-L72 PolarHBondContact O-N 3.3Å |
| 69 | L | 93.5 | Very high | 92.2 | Very high | 114 Ų | 114 | 50 Ų | 50 | 60% | 0.597 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -61.9 | -44.3 | 175.7 | -67.3 | 174.8 | 0 | 0 | 0 | 112.1 | G65 L66 L72 F73 | G65-L69 PolarHBondContact O-N 2.8Å; L66-L69 PolarHBondContact O-N 3.4Å; L69-L72 PolarHBondContact O-N 2.81Å; L69-F73 PolarHBondContact O-N 3.11Å |
| 70 | M | 94.6 | Very high | 91.7 | Very high | 77 Ų | 77 | 49.2 Ų | 49.2 | 38% | 0.379 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -62.1 | -44 | 176 | -171.9 | 71.8 | 77.7 | 0 | 0 | 111.3 | L66 S67 F73 L74 C169 W173 | L66-M70 PolarHBondContact O-N 3.19Å; S67-M70 PolarHBondContact O-N 2.76Å; M70-F73 WeakPolarHBondContact O-CB 3.35Å; M70-F73 PolarHBondContact O-N 3.27Å; M70-L74 HydrophobicContact CG-CD1 4.49Å; M70-L74 WeakPolarHBondContact O-CG 3.35Å; M70-L74 PolarHBondContact O-N 3.41Å; M70-C169 HydrophobicContact CB-CB 4.5Å; M70-W173 HydrophobicContact CE-CZ2 3.93Å |
| 71 | A | 94 | Very high | 91.3 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -65.3 | -40 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | S67 C68 F73 L74 Y75 L165 I166 C169 | S67-A71 WeakPolarHBondContact O-CB 3.33Å; S67-A71 PolarHBondContact O-N 2.79Å; C68-A71 PolarHBondContact O-N 2.82Å; A71-F73 VanDerWaalsContact C-N 3.35Å; A71-L74 PolarHBondContact O-N 3.15Å; A71-Y75 VanDerWaalsContact O-CB 3.26Å; A71-Y75 WeakPolarHBondContact O-CB 3.41Å; A71-Y75 PolarHBondContact O-N 3.18Å; A71-L165 HydrophobicContact CB-CB 4.38Å; A71-I166 HydrophobicContact CB-CB 4.24Å; A71-I166 HydrophobicContact CB-CG1 3.48Å; A71-I166 VanDerWaalsContact CB-CG1 3.48Å; A71-C169 HydrophobicContact CB-CB 4.48Å |
| 72 | L | 91.9 | Very high | 90.5 | Very high | 50 Ų | 50 | 56.2 Ų | 56.2 | 26% | 0.262 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -62.2 | -41.2 | 173.5 | -76.2 | 169.6 | 0 | 0 | 0 | 112 | C68 L69 Y75 H76 L84 F162 | C68-L72 WeakPolarHBondContact O-CG 3.38Å; C68-L72 PolarHBondContact O-N 3.3Å; L69-L72 PolarHBondContact O-N 2.81Å; L72-Y75 PolarHBondContact O-N 3.2Å; L72-H76 PolarHBondContact O-CD2 2.99Å; L72-H76 PolarHBondContact O-N 3.46Å; L72-L84 HydrophobicContact CD2-CD1 4.25Å; L72-F162 HydrophobicContact CD2-CE2 3.67Å; L72-F162 HydrophobicContact CD2-CZ 3.71Å; L72-F162 HydrophobicContact CG-CE2 4.23Å; L72-F162 HydrophobicContact CG-CZ 4.34Å |
| 73 | F | 94.1 | Very high | 89.7 | Confident | 113 Ų | 113 | 62.9 Ų | 62.9 | 50% | 0.496 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -60.7 | -48.4 | 174.1 | 173.2 | -97 | 0 | 0 | 0 | 111.3 | L69 M70 A71 Y75 V77 | L69-F73 PolarHBondContact O-N 3.11Å; M70-F73 WeakPolarHBondContact O-CB 3.35Å; M70-F73 PolarHBondContact O-N 3.27Å; A71-F73 VanDerWaalsContact C-N 3.35Å; F73-Y75 PolarHBondContact O-N 3.26Å; F73-V77 HydrophobicContact CD2-CB 4.32Å; F73-V77 HydrophobicContact CD2-CG2 3.7Å; F73-V77 HydrophobicContact CE2-CB 4.08Å; F73-V77 HydrophobicContact CE2-CG1 4.18Å; F73-V77 HydrophobicContact CE2-CG2 3.67Å; F73-V77 HydrophobicContact CG-CG2 4.42Å; F73-V77 HydrophobicContact CZ-CB 4.27Å; F73-V77 HydrophobicContact CZ-CG1 4.13Å; F73-V77 HydrophobicContact CZ-CG2 4.35Å; F73-V77 WeakPolarHBondContact O-CB 3.47Å; F73-V77 WeakPolarHBondContact O-CG2 3.24Å; F73-V77 PolarHBondContact O-N 3.32Å |
| 74 | L | 93.2 | Very high | 89.1 | Confident | 47 Ų | 47 | 67 Ų | 67 | 25% | 0.246 | 35% | 0.346 | C | S | . | . | I | π-helix | trans | -61.6 | -44.6 | 177.2 | -67.5 | 175.5 | 0 | 0 | 0 | 111.7 | M70 A71 V78 F79 | M70-L74 HydrophobicContact CG-CD1 4.49Å; M70-L74 WeakPolarHBondContact O-CG 3.35Å; M70-L74 PolarHBondContact O-N 3.41Å; A71-L74 PolarHBondContact O-N 3.15Å; L74-V78 HydrophobicContact CD2-CG2 3.72Å; L74-V78 WeakPolarHBondContact O-CA 3.29Å; L74-V78 VanDerWaalsContact O-CB 3.25Å; L74-V78 WeakPolarHBondContact O-CB 3.42Å; L74-V78 PolarHBondContact O-N 3.27Å; L74-F79 WeakPolarHBondContact O-CD2 3.36Å; L74-F79 PolarHBondContact O-N 3.2Å; L74-F79 VanDerWaalsContact O-N 3.15Å |
| 75 | Y | 91.5 | Very high | 88.5 | Confident | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 36% | 0.358 | C | S | . | . | I | π-helix | trans | -61.5 | -46.3 | -178.8 | -174.8 | -96 | 0 | 0 | 0 | 112.6 | A71 L72 F73 V81 L84 N88 L161 F162 L165 | A71-Y75 VanDerWaalsContact O-CB 3.26Å; A71-Y75 WeakPolarHBondContact O-CB 3.41Å; A71-Y75 PolarHBondContact O-N 3.18Å; L72-Y75 PolarHBondContact O-N 3.2Å; F73-Y75 PolarHBondContact O-N 3.26Å; Y75-V81 HydrophobicContact CD1-CB 4.27Å; Y75-V81 HydrophobicContact CE1-CB 3.69Å; Y75-V81 HydrophobicContact CE1-CG1 3.74Å; Y75-V81 HydrophobicContact CE2-CB 4.35Å; Y75-V81 HydrophobicContact CE2-CG2 4.46Å; Y75-V81 PolarHBondContact O-N 3.08Å; Y75-V81 VanDerWaalsContact OH-CG1 3.31Å; Y75-V81 WeakPolarHBondContact OH-CG1 3.39Å; Y75-L84 HydrophobicContact CD1-CD2 4.15Å; Y75-L84 HydrophobicContact CE1-CD2 3.76Å; Y75-N88 PolarHBondContact OH-ND2 3.11Å; Y75-L161 HydrophobicContact CE2-CD2 4.43Å; Y75-F162 HydrophobicContact CD1-CD2 4.48Å; Y75-F162 HydrophobicContact CD2-CB 3.98Å; Y75-F162 AromaticContact CD2-CD2 3.78Å; Y75-F162 HydrophobicContact CD2-CD2 3.78Å; Y75-F162 HydrophobicContact CD2-CG 4.31Å; Y75-F162 HydrophobicContact CE2-CB 3.81Å; Y75-F162 HydrophobicContact CE2-CD2 4.27Å; Y75-F162 HydrophobicContact CE2-CG 4.39Å; Y75-F162 AromaticContact CG-CD2 3.88Å; Y75-F162 HydrophobicContact CG-CD2 3.88Å; Y75-F162 HydrophobicContact CG-CE2 4.49Å; Y75-L165 HydrophobicContact CD2-CD1 4.39Å |
| 76 | H | 89.6 | Confident | 88.1 | Confident | 71 Ų | 71 | 70.3 Ų | 70.3 | 33% | 0.329 | 36% | 0.361 | S | S | . | . | I | π-helix | trans | -82.4 | -39.9 | -178.3 | -75.1 | -59.4 | 0 | 0 | 0 | 113.8 | L72 G80 V81 | L72-H76 PolarHBondContact O-CD2 2.99Å; L72-H76 PolarHBondContact O-N 3.46Å; H76-G80 WeakPolarHBondContact O-CA 3.21Å; H76-G80 PolarHBondContact O-N 3.26Å; H76-V81 PolarHBondContact CE1-O 3.26Å; H76-V81 PolarHBondContact ND1-O 3.38Å |
| 77 | V | 90.9 | Very high | 87.5 | Confident | 93 Ų | 93 | 68.9 Ų | 68.9 | 56% | 0.564 | 35% | 0.354 | S | S | * | . | I | π-helix | trans | -90.1 | -42.8 | -172.4 | -178.3 | 0 | 0 | 0 | 0 | 112.2 | F73 | F73-V77 HydrophobicContact CD2-CB 4.32Å; F73-V77 HydrophobicContact CD2-CG2 3.7Å; F73-V77 HydrophobicContact CE2-CB 4.08Å; F73-V77 HydrophobicContact CE2-CG1 4.18Å; F73-V77 HydrophobicContact CE2-CG2 3.67Å; F73-V77 HydrophobicContact CG-CG2 4.42Å; F73-V77 HydrophobicContact CZ-CB 4.27Å; F73-V77 HydrophobicContact CZ-CG1 4.13Å; F73-V77 HydrophobicContact CZ-CG2 4.35Å; F73-V77 WeakPolarHBondContact O-CB 3.47Å; F73-V77 WeakPolarHBondContact O-CG2 3.24Å; F73-V77 PolarHBondContact O-N 3.32Å |
| 78 | V | 90.4 | Very high | 87.2 | Confident | 94 Ų | 94 | 69.2 Ų | 69.2 | 57% | 0.57 | 36% | 0.356 | S | S | * | . | I | π-helix | trans | -86.2 | -47.4 | -175.6 | -178.8 | 0 | 0 | 0 | 0 | 111.3 | L74 | L74-V78 HydrophobicContact CD2-CG2 3.72Å; L74-V78 WeakPolarHBondContact O-CA 3.29Å; L74-V78 VanDerWaalsContact O-CB 3.25Å; L74-V78 WeakPolarHBondContact O-CB 3.42Å; L74-V78 PolarHBondContact O-N 3.27Å |
| 79 | F | 85.3 | Confident | 87 | Confident | 99 Ų | 99 | 67.7 Ų | 67.7 | 43% | 0.434 | 35% | 0.347 | S | S | . | . | S | Bend | trans | -86.5 | -10.8 | -179.8 | -66.3 | -81.3 | 0 | 0 | 0 | 113.6 | L74 V81 L161 L165 | L74-F79 WeakPolarHBondContact O-CD2 3.36Å; L74-F79 PolarHBondContact O-N 3.2Å; L74-F79 VanDerWaalsContact O-N 3.15Å; F79-V81 HydrophobicContact CB-CG2 4.29Å; F79-V81 PolarHBondContact O-N 3.31Å; F79-L161 HydrophobicContact CB-CD2 4.3Å; F79-L161 HydrophobicContact CD1-CD1 4.32Å; F79-L161 HydrophobicContact CD1-CD2 4.03Å; F79-L161 HydrophobicContact CE1-CD1 4.02Å; F79-L161 HydrophobicContact CE2-CD1 4.48Å; F79-L161 HydrophobicContact CG-CD2 4.05Å; F79-L161 HydrophobicContact CZ-CD1 4.1Å; F79-L165 HydrophobicContact CD2-CD1 3.7Å; F79-L165 HydrophobicContact CE2-CD1 3.51Å; F79-L165 HydrophobicContact CE2-CD2 3.67Å; F79-L165 HydrophobicContact CE2-CG 4.15Å; F79-L165 HydrophobicContact CZ-CD1 4.44Å; F79-L165 HydrophobicContact CZ-CD2 4.17Å |
| 80 | G | 83.7 | Confident | 86.7 | Confident | 42 Ų | 42 | 62.5 Ų | 62.5 | 43% | 0.433 | 32% | 0.32 | S | S | . | . | trans | 69 | 13.3 | 174 | 0 | 0 | 0 | 0 | 0 | 114.8 | H76 R82 | H76-G80 WeakPolarHBondContact O-CA 3.21Å; H76-G80 PolarHBondContact O-N 3.26Å; G80-R82 PolarHBondContact O-N 3.02Å | ||
| 81 | V | 81.9 | Confident | 86.3 | Confident | 19 Ų | 19 | 58.9 Ų | 58.9 | 12% | 0.115 | 30% | 0.302 | C | S | . | . | trans | -78.5 | 112.3 | -178.4 | -173.6 | 0 | 0 | 0 | 0 | 109.1 | Y75 H76 F79 | Y75-V81 HydrophobicContact CD1-CB 4.27Å; Y75-V81 HydrophobicContact CE1-CB 3.69Å; Y75-V81 HydrophobicContact CE1-CG1 3.74Å; Y75-V81 HydrophobicContact CE2-CB 4.35Å; Y75-V81 HydrophobicContact CE2-CG2 4.46Å; Y75-V81 PolarHBondContact O-N 3.08Å; Y75-V81 VanDerWaalsContact OH-CG1 3.31Å; Y75-V81 WeakPolarHBondContact OH-CG1 3.39Å; H76-V81 PolarHBondContact CE1-O 3.26Å; H76-V81 PolarHBondContact ND1-O 3.38Å; F79-V81 HydrophobicContact CB-CG2 4.29Å; F79-V81 PolarHBondContact O-N 3.31Å | ||
| 82 | R | 74.8 | Confident | 86 | Confident | 174 Ų | 174 | 61 Ų | 61 | 66% | 0.657 | 32% | 0.319 | S | S | * | . | trans | -80.2 | -24.5 | -173.4 | -64.9 | -176.3 | -174.9 | 166.8 | 10.3 | 114.1 | G80 E585 | G80-R82 PolarHBondContact O-N 3.02Å; R82-E585 IonicContact NH2-OE1 3.71Å; R82-E585 PolarHBondContact NH2-OE1 3.4Å | ||
| 83 | Y | 75.4 | Confident | 85.8 | Confident | 169 Ų | 169 | 58.6 Ų | 58.6 | 66% | 0.663 | 31% | 0.307 | S | S | * | . | trans | -112.3 | 138.4 | -173.9 | -61.1 | -82.6 | 0 | 0 | 0 | 111.6 | ||||
| 84 | L | 79.8 | Confident | 85.3 | Confident | 89 Ų | 89 | 53.8 Ų | 53.8 | 47% | 0.466 | 29% | 0.287 | S | S | . | . | trans | -94.7 | 117.2 | 168.3 | -75.4 | 167.8 | 0 | 0 | 0 | 108.4 | L72 Y75 N88 F162 | L72-L84 HydrophobicContact CD2-CD1 4.25Å; Y75-L84 HydrophobicContact CD1-CD2 4.15Å; Y75-L84 HydrophobicContact CE1-CD2 3.76Å; L84-N88 HydrophobicContact CD2-CB 4.29Å; L84-F162 HydrophobicContact CD2-CZ 4.43Å | ||
| 85 | G | 80.9 | Confident | 85.1 | Confident | 29 Ų | 29 | 52 Ų | 52 | 30% | 0.299 | 28% | 0.277 | S | S | . | . | trans | -67.5 | 159.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | L87 N88 | G85-L87 VanDerWaalsContact C-N 3.26Å; G85-L87 PolarHBondContact O-N 3.46Å; G85-N88 WeakPolarHBondContact O-CB 3.4Å; G85-N88 PolarHBondContact O-N 2.89Å | ||
| 86 | I | 83.7 | Confident | 84.9 | Confident | 86 Ų | 86 | 53.5 Ų | 53.5 | 44% | 0.441 | 29% | 0.285 | S | S | . | . | G | 310 helix | trans | -58.6 | -40.6 | 178.3 | -61 | 170.4 | 0 | 0 | 0 | 110.5 | V24 F28 N88 G89 I872 F875 | V24-I86 HydrophobicContact CG1-CD1 3.91Å; F28-I86 HydrophobicContact CD2-CG2 3.99Å; F28-I86 HydrophobicContact CE2-CG2 4.29Å; I86-N88 PolarHBondContact O-N 3.17Å; I86-G89 PolarHBondContact O-N 3.13Å; I86-I872 HydrophobicContact CG2-CD1 4.33Å; I86-F875 HydrophobicContact CG2-CE1 4.23Å; I86-F875 HydrophobicContact CG2-CZ 3.88Å; I86-F875 WeakPolarHBondContact O-CE1 3.41Å; I86-F875 WeakPolarHBondContact O-CZ 3.3Å |
| 87 | L | 82 | Confident | 84.7 | Confident | 40 Ų | 40 | 50.2 Ų | 50.2 | 21% | 0.209 | 27% | 0.27 | C | S | . | . | G | 310 helix | trans | -60.3 | -28.1 | 177.7 | -69.2 | 178.5 | 0 | 0 | 0 | 113.3 | G85 G89 V90 A155 F159 P874 | G85-L87 VanDerWaalsContact C-N 3.26Å; G85-L87 PolarHBondContact O-N 3.46Å; L87-G89 PolarHBondContact O-N 2.92Å; L87-G89 VanDerWaalsContact O-N 3.16Å; L87-V90 WeakPolarHBondContact O-CB 3.2Å; L87-V90 WeakPolarHBondContact O-CG2 2.88Å; L87-V90 PolarHBondContact O-N 3.48Å; L87-A155 HydrophobicContact CD1-CB 3.96Å; L87-F159 HydrophobicContact CB-CB 4.31Å; L87-F159 HydrophobicContact CB-CD2 4.27Å; L87-F159 HydrophobicContact CB-CG 4.44Å; L87-F159 WeakPolarHBondContact O-CD2 3.17Å; L87-P874 HydrophobicContact CD2-CB 4.34Å |
| 88 | N | 87.9 | Confident | 84.5 | Confident | 7 Ų | 7 | 47.2 Ų | 47.2 | 4% | 0.037 | 25% | 0.251 | C | S | . | . | G | 310 helix | trans | -64.7 | -19.8 | 176.6 | -62.3 | 1.5 | 0 | 0 | 0 | 111.8 | Y75 L84 G85 I86 V90 A91 F159 F162 | Y75-N88 PolarHBondContact OH-ND2 3.11Å; L84-N88 HydrophobicContact CD2-CB 4.29Å; G85-N88 WeakPolarHBondContact O-CB 3.4Å; G85-N88 PolarHBondContact O-N 2.89Å; I86-N88 PolarHBondContact O-N 3.17Å; N88-V90 PolarHBondContact O-N 2.91Å; N88-A91 WeakPolarHBondContact O-CB 3.42Å; N88-A91 PolarHBondContact O-N 3.37Å; N88-A91 VanDerWaalsContact O-N 3.11Å; N88-F159 VanDerWaalsContact OD1-CA 3.22Å; N88-F159 WeakPolarHBondContact OD1-CA 3.32Å; N88-F162 HydrophobicContact CB-CD1 3.93Å; N88-F162 HydrophobicContact CB-CE1 4.2Å |
| 89 | G | 87.1 | Confident | 84.4 | Confident | 8 Ų | 8 | 42.7 Ų | 42.7 | 8% | 0.082 | 22% | 0.223 | C | C | . | . | G | 310 helix | trans | -60.9 | -27.8 | 171.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | I86 L87 A91 A92 | I86-G89 PolarHBondContact O-N 3.13Å; L87-G89 PolarHBondContact O-N 2.92Å; L87-G89 VanDerWaalsContact O-N 3.16Å; G89-A91 PolarHBondContact O-N 2.89Å; G89-A92 WeakPolarHBondContact O-CB 3.29Å; G89-A92 PolarHBondContact O-N 3.4Å |
| 90 | V | 87.3 | Confident | 84.6 | Confident | 5 Ų | 5 | 38.2 Ų | 38.2 | 3% | 0.03 | 20% | 0.204 | C | C | . | . | G | 310 helix | trans | -61.4 | -32.7 | 175 | 178.5 | 0 | 0 | 0 | 0 | 111.3 | L87 N88 A92 F93 V94 F159 F875 F878 | L87-V90 WeakPolarHBondContact O-CB 3.2Å; L87-V90 WeakPolarHBondContact O-CG2 2.88Å; L87-V90 PolarHBondContact O-N 3.48Å; N88-V90 PolarHBondContact O-N 2.91Å; V90-A92 PolarHBondContact O-N 3.14Å; V90-F93 PolarHBondContact O-N 3.27Å; V90-V94 HydrophobicContact CG1-CG2 3.88Å; V90-V94 WeakPolarHBondContact O-CG2 3.24Å; V90-V94 PolarHBondContact O-N 3.44Å; V90-F159 HydrophobicContact CB-CE2 4.21Å; V90-F875 HydrophobicContact CG2-CD1 3.21Å; V90-F875 HydrophobicContact CG2-CE1 3.46Å; V90-F875 VanDerWaalsContact CG2-CE1 3.46Å; V90-F875 HydrophobicContact CG2-CG 3.96Å; V90-F875 HydrophobicContact CG2-CZ 4.35Å; V90-F878 HydrophobicContact CG1-CD1 3.34Å; V90-F878 HydrophobicContact CG1-CE1 3.39Å; V90-F878 HydrophobicContact CG1-CG 3.99Å; V90-F878 HydrophobicContact CG1-CZ 4.07Å |
| 91 | A | 88.1 | Confident | 84.8 | Confident | 2 Ų | 2 | 36.8 Ų | 36.8 | 2% | 0.017 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -55.4 | -37.2 | -180 | 0 | 0 | 0 | 0 | 0 | 112.2 | N88 G89 F93 V94 I95 F162 M163 I166 | N88-A91 WeakPolarHBondContact O-CB 3.42Å; N88-A91 PolarHBondContact O-N 3.37Å; N88-A91 VanDerWaalsContact O-N 3.11Å; G89-A91 PolarHBondContact O-N 2.89Å; A91-F93 PolarHBondContact O-N 2.8Å; A91-V94 PolarHBondContact O-N 3.18Å; A91-I95 WeakPolarHBondContact O-CB 3.39Å; A91-I95 WeakPolarHBondContact O-CG2 3.46Å; A91-I95 PolarHBondContact O-N 3Å; A91-F162 HydrophobicContact CB-CD1 3.97Å; A91-F162 HydrophobicContact CB-CE1 3.71Å; A91-M163 VanDerWaalsContact CA-SD 3.59Å; A91-M163 HydrophobicContact CB-SD 3.3Å; A91-M163 WeakPolarHBondContact CB-SD 3.35Å; A91-I166 HydrophobicContact CB-CD1 4.01Å |
| 92 | A | 86.5 | Confident | 85.1 | Confident | 43 Ų | 43 | 36 Ų | 36 | 36% | 0.355 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -62 | -29.9 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | G89 V90 | G89-A92 WeakPolarHBondContact O-CB 3.29Å; G89-A92 PolarHBondContact O-N 3.4Å; V90-A92 PolarHBondContact O-N 3.14Å |
| 93 | F | 87 | Confident | 85.9 | Confident | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -84.7 | -38.2 | 177.4 | -63.9 | -90.8 | 0 | 0 | 0 | 112.5 | D31 M32 L34 A35 V90 A91 P866 L867 | D31-F93 WeakPolarHBondContact O-CZ 3.25Å; M32-F93 HydrophobicContact CE-CD2 4.43Å; M32-F93 HydrophobicContact CE-CE2 3.51Å; M32-F93 HydrophobicContact CE-CZ 4.2Å; L34-F93 HydrophobicContact CB-CE1 4.3Å; L34-F93 HydrophobicContact CB-CZ 4.47Å; A35-F93 HydrophobicContact CB-CD1 3.85Å; A35-F93 HydrophobicContact CB-CD2 4.32Å; A35-F93 HydrophobicContact CB-CE1 3.52Å; A35-F93 HydrophobicContact CB-CE2 4.03Å; A35-F93 HydrophobicContact CB-CG 4.25Å; A35-F93 HydrophobicContact CB-CZ 3.61Å; A35-F93 VanDerWaalsContact N-CE1 3.31Å; V90-F93 PolarHBondContact O-N 3.27Å; A91-F93 PolarHBondContact O-N 2.8Å; F93-P866 HydrophobicContact CE1-CB 4.48Å; F93-L867 HydrophobicContact CB-CD1 3.57Å; F93-L867 HydrophobicContact CB-CD2 4.14Å; F93-L867 HydrophobicContact CB-CG 3.94Å; F93-L867 HydrophobicContact CD1-CD1 4.26Å; F93-L867 HydrophobicContact CD1-CD2 4.38Å; F93-L867 HydrophobicContact CD1-CG 3.87Å; F93-L867 HydrophobicContact CD2-CD2 3.85Å; F93-L867 HydrophobicContact CD2-CG 4.24Å; F93-L867 HydrophobicContact CE1-CG 4.35Å; F93-L867 HydrophobicContact CE2-CD2 4.26Å; F93-L867 HydrophobicContact CG-CD1 4Å; F93-L867 HydrophobicContact CG-CD2 3.9Å; F93-L867 HydrophobicContact CG-CG 3.78Å |
| 94 | V | 84.6 | Confident | 86.5 | Confident | 13 Ų | 13 | 20.9 Ų | 20.9 | 8% | 0.079 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -79.5 | -37.5 | -171.6 | 177.9 | 0 | 0 | 0 | 0 | 111.8 | V90 A91 I96 G97 I98 M163 F878 | V90-V94 HydrophobicContact CG1-CG2 3.88Å; V90-V94 WeakPolarHBondContact O-CG2 3.24Å; V90-V94 PolarHBondContact O-N 3.44Å; A91-V94 PolarHBondContact O-N 3.18Å; V94-I96 VanDerWaalsContact C-N 3.26Å; V94-I96 PolarHBondContact O-N 3.2Å; V94-G97 PolarHBondContact O-N 3.11Å; V94-G97 VanDerWaalsContact O-N 3.09Å; V94-I98 HydrophobicContact CG1-CD1 3.47Å; V94-I98 VanDerWaalsContact CG1-CD1 3.47Å; V94-I98 HydrophobicContact CG1-CG1 3.95Å; V94-I98 PolarHBondContact O-N 3.08Å; V94-M163 HydrophobicContact CB-CE 4.22Å; V94-M163 HydrophobicContact CG1-CE 3.95Å; V94-F878 HydrophobicContact CG2-CD1 4.46Å; V94-F878 HydrophobicContact CG2-CE1 3.43Å; V94-F878 VanDerWaalsContact CG2-CE1 3.43Å; V94-F878 HydrophobicContact CG2-CZ 4.02Å |
| 95 | I | 88.9 | Confident | 86.8 | Confident | 8 Ų | 8 | 17 Ų | 17 | 4% | 0.041 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -61.7 | -35.2 | -174.2 | -172.6 | 46.8 | 0 | 0 | 0 | 113 | I64 A91 G97 G99 I166 A170 | I64-I95 HydrophobicContact CG2-CG1 4.05Å; A91-I95 WeakPolarHBondContact O-CB 3.39Å; A91-I95 WeakPolarHBondContact O-CG2 3.46Å; A91-I95 PolarHBondContact O-N 3Å; I95-G97 VanDerWaalsContact C-N 3.32Å; I95-G97 PolarHBondContact O-N 3.36Å; I95-G99 PolarHBondContact O-N 3.36Å; I95-I166 HydrophobicContact CB-CG2 4.06Å; I95-I166 HydrophobicContact CD1-CG2 3.11Å; I95-I166 HydrophobicContact CG1-CG2 3.42Å; I95-I166 VanDerWaalsContact CG1-CG2 3.42Å; I95-A170 HydrophobicContact CD1-CB 4.11Å |
| 96 | I | 86.8 | Confident | 87.2 | Confident | 33 Ų | 33 | 15.7 Ų | 15.7 | 17% | 0.169 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -68.3 | -37.4 | -180 | -49.8 | 178.3 | 0 | 0 | 0 | 109.8 | I42 V94 V100 | I42-I96 HydrophobicContact CB-CG2 3.97Å; I42-I96 HydrophobicContact CD1-CB 3.72Å; I42-I96 HydrophobicContact CD1-CG2 3.51Å; I42-I96 HydrophobicContact CG1-CG2 4.36Å; I42-I96 HydrophobicContact CG2-CG2 3.64Å; V94-I96 VanDerWaalsContact C-N 3.26Å; V94-I96 PolarHBondContact O-N 3.2Å; I96-V100 HydrophobicContact CG2-CG2 4.35Å; I96-V100 VanDerWaalsContact O-CB 3.26Å; I96-V100 WeakPolarHBondContact O-CB 3.47Å; I96-V100 WeakPolarHBondContact O-CG2 3.44Å; I96-V100 PolarHBondContact O-N 3.45Å |
| 97 | G | 85 | Confident | 87.4 | Confident | 1 Ų | 1 | 11.7 Ų | 11.7 | 1% | 0.01 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -65.2 | -53.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | V94 I95 V100 D101 | V94-G97 PolarHBondContact O-N 3.11Å; V94-G97 VanDerWaalsContact O-N 3.09Å; I95-G97 VanDerWaalsContact C-N 3.32Å; I95-G97 PolarHBondContact O-N 3.36Å; G97-V100 PolarHBondContact O-N 3.27Å; G97-D101 PolarHBondContact O-N 3.3Å |
| 98 | I | 88.1 | Confident | 87.5 | Confident | 30 Ų | 30 | 10.3 Ų | 10.3 | 15% | 0.154 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -64.3 | -44.4 | -178.1 | -59.8 | 178.9 | 0 | 0 | 0 | 111.3 | V94 V100 D101 T141 Y145 | V94-I98 HydrophobicContact CG1-CD1 3.47Å; V94-I98 VanDerWaalsContact CG1-CD1 3.47Å; V94-I98 HydrophobicContact CG1-CG1 3.95Å; V94-I98 PolarHBondContact O-N 3.08Å; I98-V100 PolarHBondContact O-N 3.11Å; I98-D101 WeakPolarHBondContact O-CB 3.38Å; I98-D101 PolarHBondContact O-N 2.89Å; I98-T141 HydrophobicContact CD1-CG2 4.35Å; I98-Y145 HydrophobicContact CD1-CE2 4.43Å |
| 99 | G | 88.5 | Confident | 87.3 | Confident | 0 Ų | 0 | 10.5 Ų | 10.5 | 0% | 0 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -69.5 | -31.7 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | I64 I95 D101 V103 | I64-G99 VanDerWaalsContact CD1-C 3.49Å; I95-G99 PolarHBondContact O-N 3.36Å; G99-D101 VanDerWaalsContact C-N 3.32Å; G99-V103 WeakPolarHBondContact O-CG2 3.24Å; G99-V103 PolarHBondContact O-N 2.91Å |
| 100 | V | 88.2 | Confident | 87.3 | Confident | 5 Ų | 5 | 10.4 Ų | 10.4 | 3% | 0.03 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -69.9 | -31.6 | 176.2 | 164.3 | 0 | 0 | 0 | 0 | 111.6 | I42 V46 L61 I64 I96 G97 I98 V103 F104 T859 | I42-V100 HydrophobicContact CG2-CG2 3.96Å; V46-V100 HydrophobicContact CG2-CB 4.21Å; V46-V100 HydrophobicContact CG2-CG1 3.45Å; V46-V100 VanDerWaalsContact CG2-CG1 3.45Å; V46-V100 HydrophobicContact CG2-CG2 3.6Å; L61-V100 HydrophobicContact CD2-CG2 4.45Å; I64-V100 HydrophobicContact CD1-CB 4.44Å; I64-V100 HydrophobicContact CD1-CG2 3.59Å; I96-V100 HydrophobicContact CG2-CG2 4.35Å; I96-V100 VanDerWaalsContact O-CB 3.26Å; I96-V100 WeakPolarHBondContact O-CB 3.47Å; I96-V100 WeakPolarHBondContact O-CG2 3.44Å; I96-V100 PolarHBondContact O-N 3.45Å; G97-V100 PolarHBondContact O-N 3.27Å; I98-V100 PolarHBondContact O-N 3.11Å; V100-V103 PolarHBondContact O-N 3.5Å; V100-F104 WeakPolarHBondContact O-CB 3.47Å; V100-F104 PolarHBondContact O-N 2.89Å; V100-T859 HydrophobicContact CG1-CG2 4.12Å |
| 101 | D | 87.8 | Confident | 87.1 | Confident | 11 Ų | 11 | 13.1 Ų | 13.1 | 6% | 0.059 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -56.7 | -54 | 175.6 | -173.6 | 16.7 | 0 | 0 | 0 | 111.1 | G97 I98 G99 V103 F104 V105 S856 | G97-D101 PolarHBondContact O-N 3.3Å; I98-D101 WeakPolarHBondContact O-CB 3.38Å; I98-D101 PolarHBondContact O-N 2.89Å; G99-D101 VanDerWaalsContact C-N 3.32Å; D101-V103 VanDerWaalsContact C-N 3.3Å; D101-V103 PolarHBondContact O-N 3.28Å; D101-F104 PolarHBondContact O-N 3.18Å; D101-V105 WeakPolarHBondContact O-CG2 3.45Å; D101-V105 PolarHBondContact O-N 3.28Å; D101-S856 WeakPolarHBondContact OD1-CB 3.13Å; D101-S856 PolarHBondContact OD1-OG 3.03Å; D101-S856 PolarHBondContact OD2-OG 2.83Å |
| 102 | D | 89.6 | Confident | 86.6 | Confident | 4 Ų | 4 | 14.6 Ų | 14.6 | 2% | 0.021 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -56.8 | -45.6 | 179.4 | -70.1 | -25.8 | 0 | 0 | 0 | 111.2 | F104 V105 F106 T134 S138 V174 | D102-F104 VanDerWaalsContact C-N 3.33Å; D102-F104 PolarHBondContact O-N 2.9Å; D102-V105 PolarHBondContact O-N 3.28Å; D102-F106 WeakPolarHBondContact O-CD2 2.82Å; D102-F106 PolarHBondContact O-N 3.31Å; D102-F106 VanDerWaalsContact O-N 3.14Å; D102-T134 HydrophobicContact CB-CG2 4.23Å; D102-S138 PolarHBondContact OD2-OG 3.41Å; D102-V174 HydrophobicContact CB-CB 4.46Å; D102-V174 HydrophobicContact CB-CG1 3.93Å; D102-V174 HydrophobicContact CB-CG2 4.48Å |
| 103 | V | 90.6 | Very high | 86.4 | Confident | 3 Ų | 3 | 12.6 Ų | 12.6 | 2% | 0.018 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -57.9 | -45.4 | 176.2 | 171.4 | 0 | 0 | 0 | 0 | 111.3 | G99 V100 D101 F106 I107 V174 M178 | G99-V103 WeakPolarHBondContact O-CG2 3.24Å; G99-V103 PolarHBondContact O-N 2.91Å; V100-V103 PolarHBondContact O-N 3.5Å; D101-V103 VanDerWaalsContact C-N 3.3Å; D101-V103 PolarHBondContact O-N 3.28Å; V103-F106 PolarHBondContact O-N 2.67Å; V103-I107 HydrophobicContact CG1-CD1 3.87Å; V103-I107 WeakPolarHBondContact O-CG1 3.49Å; V103-I107 PolarHBondContact O-N 3.23Å; V103-I107 VanDerWaalsContact O-N 3.12Å; V103-V174 HydrophobicContact CG2-CG1 4.03Å; V103-V174 HydrophobicContact CG2-CG2 3.83Å; V103-M178 HydrophobicContact CG1-SD 3.86Å |
| 104 | F | 88.1 | Confident | 85.9 | Confident | 21 Ų | 21 | 15.9 Ų | 15.9 | 9% | 0.092 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -67.5 | -38.8 | -179.3 | -172.4 | -105.9 | 0 | 0 | 0 | 112.5 | L49 V100 D101 D102 F106 I107 S108 S855 | L49-F104 HydrophobicContact CB-CD2 4.09Å; L49-F104 HydrophobicContact CB-CE2 3.86Å; V100-F104 WeakPolarHBondContact O-CB 3.47Å; V100-F104 PolarHBondContact O-N 2.89Å; D101-F104 PolarHBondContact O-N 3.18Å; D102-F104 VanDerWaalsContact C-N 3.33Å; D102-F104 PolarHBondContact O-N 2.9Å; F104-F106 VanDerWaalsContact C-N 3.31Å; F104-F106 PolarHBondContact O-N 3.48Å; F104-I107 PolarHBondContact O-N 2.76Å; F104-S108 WeakPolarHBondContact O-CB 3.4Å; F104-S108 PolarHBondContact O-N 3.27Å; F104-S108 PolarHBondContact O-OG 3.26Å; F104-S855 VanDerWaalsContact CE1-OG 3.25Å; F104-S855 WeakPolarHBondContact CE1-OG 3.36Å; F104-S855 WeakPolarHBondContact CZ-OG 3.4Å |
| 105 | V | 86.9 | Confident | 85.6 | Confident | 7 Ų | 7 | 21.5 Ų | 21.5 | 4% | 0.042 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -60.5 | -41.6 | 175.7 | 173.7 | 0 | 0 | 0 | 0 | 110.9 | D101 D102 S108 T109 A130 T134 | D101-V105 WeakPolarHBondContact O-CG2 3.45Å; D101-V105 PolarHBondContact O-N 3.28Å; D102-V105 PolarHBondContact O-N 3.28Å; V105-S108 WeakPolarHBondContact CA-OG 3.14Å; V105-S108 PolarHBondContact O-OG 1.98Å; V105-S108 VanDerWaalsContact O-OG 3.07Å; V105-T109 VanDerWaalsContact O-CB 3.29Å; V105-T109 WeakPolarHBondContact O-CB 3.27Å; V105-T109 PolarHBondContact O-N 3.04Å; V105-T109 VanDerWaalsContact O-N 3.07Å; V105-T109 PolarHBondContact O-OG1 2.98Å; V105-A130 HydrophobicContact CG1-CB 4.22Å; V105-T134 HydrophobicContact CB-CG2 3.92Å; V105-T134 HydrophobicContact CG1-CG2 3.77Å |
| 106 | F | 89.6 | Confident | 85.2 | Confident | 2 Ų | 2 | 23.3 Ų | 23.3 | 1% | 0.009 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -63.4 | -47 | 174.6 | -89.6 | -87.3 | 0 | 0 | 0 | 112.5 | D102 V103 F104 F110 T126 A130 T134 V174 M178 P179 | D102-F106 WeakPolarHBondContact O-CD2 2.82Å; D102-F106 PolarHBondContact O-N 3.31Å; D102-F106 VanDerWaalsContact O-N 3.14Å; V103-F106 PolarHBondContact O-N 2.67Å; F104-F106 VanDerWaalsContact C-N 3.31Å; F104-F106 PolarHBondContact O-N 3.48Å; F106-F110 WeakPolarHBondContact O-CB 3.38Å; F106-F110 PolarHBondContact O-N 2.91Å; F106-T126 HydrophobicContact CD1-CG2 4.17Å; F106-A130 HydrophobicContact CD1-CB 3.94Å; F106-A130 HydrophobicContact CD2-CB 4.4Å; F106-A130 HydrophobicContact CE1-CB 4.16Å; F106-A130 HydrophobicContact CG-CB 4.08Å; F106-A130 HydrophobicContact CZ-CB 4.49Å; F106-T134 HydrophobicContact CD2-CG2 4.25Å; F106-T134 HydrophobicContact CE2-CG2 4.09Å; F106-T134 WeakPolarHBondContact CE2-OG1 3.29Å; F106-V174 HydrophobicContact CD2-CG1 3.97Å; F106-V174 HydrophobicContact CE2-CG1 4.15Å; F106-M178 HydrophobicContact CB-CB 4.42Å; F106-M178 HydrophobicContact CB-CG 3.67Å; F106-M178 HydrophobicContact CG-CB 4.42Å; F106-M178 HydrophobicContact CG-CG 4.19Å; F106-P179 HydrophobicContact CD1-CG 4.37Å; F106-P179 HydrophobicContact CE1-CG 4.03Å |
| 107 | I | 87.3 | Confident | 84.7 | Confident | 2 Ų | 2 | 33.6 Ų | 33.6 | 1% | 0.01 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -65.1 | -46.1 | -179 | -66 | 169.9 | 0 | 0 | 0 | 111.3 | T50 L56 V103 F104 F110 R111 M178 L182 | T50-I107 HydrophobicContact CG2-CD1 3.61Å; L56-I107 HydrophobicContact CB-CD1 4.38Å; V103-I107 HydrophobicContact CG1-CD1 3.87Å; V103-I107 WeakPolarHBondContact O-CG1 3.49Å; V103-I107 PolarHBondContact O-N 3.23Å; V103-I107 VanDerWaalsContact O-N 3.12Å; F104-I107 PolarHBondContact O-N 2.76Å; I107-F110 PolarHBondContact O-N 3.29Å; I107-R111 WeakPolarHBondContact O-CG 3.36Å; I107-R111 PolarHBondContact O-N 2.84Å; I107-M178 HydrophobicContact CD1-CE 3.67Å; I107-M178 HydrophobicContact CD1-SD 4.46Å; I107-M178 HydrophobicContact CG1-CE 3.32Å; I107-M178 HydrophobicContact CG1-SD 4.33Å; I107-L182 HydrophobicContact CG1-CD2 4.39Å |
| 108 | S | 83.5 | Confident | 84.7 | Confident | 12 Ų | 12 | 41.2 Ų | 41.2 | 8% | 0.084 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -63.8 | -45.2 | -179.1 | 56.4 | 0 | 0 | 0 | 0 | 111.6 | F104 V105 F110 R111 Q112 | F104-S108 WeakPolarHBondContact O-CB 3.4Å; F104-S108 PolarHBondContact O-N 3.27Å; F104-S108 PolarHBondContact O-OG 3.26Å; V105-S108 WeakPolarHBondContact CA-OG 3.14Å; V105-S108 PolarHBondContact O-OG 1.98Å; V105-S108 VanDerWaalsContact O-OG 3.07Å; S108-F110 VanDerWaalsContact C-N 3.31Å; S108-F110 PolarHBondContact O-N 2.89Å; S108-R111 PolarHBondContact O-N 3.3Å; S108-Q112 VanDerWaalsContact O-CG 3.25Å; S108-Q112 WeakPolarHBondContact O-CG 3.34Å; S108-Q112 PolarHBondContact O-N 3.27Å |
| 109 | T | 84.5 | Confident | 84.4 | Confident | 11 Ų | 11 | 43.7 Ų | 43.7 | 7% | 0.067 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -62.4 | -38.3 | 176.7 | -55.1 | 0 | 0 | 0 | 0 | 111.7 | V105 Q112 A113 Y125 T126 T129 A130 | V105-T109 VanDerWaalsContact O-CB 3.29Å; V105-T109 WeakPolarHBondContact O-CB 3.27Å; V105-T109 PolarHBondContact O-N 3.04Å; V105-T109 VanDerWaalsContact O-N 3.07Å; V105-T109 PolarHBondContact O-OG1 2.98Å; T109-Q112 PolarHBondContact O-N 2.83Å; T109-A113 WeakPolarHBondContact O-CB 3.35Å; T109-A113 PolarHBondContact O-N 3.37Å; T109-A113 VanDerWaalsContact O-N 3.16Å; T109-Y125 HydrophobicContact CG2-CE1 4.46Å; T109-T126 HydrophobicContact CG2-CG2 4.36Å; T109-T129 HydrophobicContact CG2-CG2 3.97Å; T109-A130 HydrophobicContact CG2-CB 4.15Å |
| 110 | F | 87.2 | Confident | 84.2 | Confident | 5 Ų | 5 | 53.3 Ų | 53.3 | 2% | 0.022 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -65.1 | -41.6 | 175.9 | -174.1 | -103.6 | 0 | 0 | 0 | 112.7 | F106 I107 S108 A113 R122 M123 T126 L182 W185 T186 | F106-F110 WeakPolarHBondContact O-CB 3.38Å; F106-F110 PolarHBondContact O-N 2.91Å; I107-F110 PolarHBondContact O-N 3.29Å; S108-F110 VanDerWaalsContact C-N 3.31Å; S108-F110 PolarHBondContact O-N 2.89Å; F110-A113 PolarHBondContact O-N 2.96Å; F110-R122 HydrophobicContact CD2-CG 4.09Å; F110-R122 HydrophobicContact CE2-CG 3.98Å; F110-R122 VanDerWaalsContact CE2-NE 3.34Å; F110-R122 VanDerWaalsContact CZ-CZ 3.49Å; F110-M123 HydrophobicContact CD2-CE 3.95Å; F110-M123 HydrophobicContact CE2-CE 3.58Å; F110-M123 HydrophobicContact CZ-CE 4.35Å; F110-T126 WeakPolarHBondContact CA-OG1 3.05Å; F110-T126 HydrophobicContact CB-CG2 4Å; F110-T126 HydrophobicContact CD2-CG2 4.47Å; F110-T126 WeakPolarHBondContact CD2-OG1 3.42Å; F110-L182 HydrophobicContact CB-CD1 3.98Å; F110-L182 HydrophobicContact CB-CD2 4.48Å; F110-L182 HydrophobicContact CD1-CD2 3.89Å; F110-L182 HydrophobicContact CD2-CD1 4.3Å; F110-L182 HydrophobicContact CE1-CD2 4.25Å; F110-L182 HydrophobicContact CE2-CB 4.5Å; F110-L182 HydrophobicContact CG-CD1 4.05Å; F110-L182 HydrophobicContact CG-CD2 4.22Å; F110-L182 HydrophobicContact CZ-CB 4.4Å; F110-W185 HydrophobicContact CE1-CE3 4.33Å; F110-W185 HydrophobicContact CE1-CZ3 4.18Å; F110-T186 VanDerWaalsContact CE1-OG1 3.29Å; F110-T186 WeakPolarHBondContact CE1-OG1 3.08Å; F110-T186 VanDerWaalsContact CZ-OG1 3.25Å; F110-T186 WeakPolarHBondContact CZ-OG1 3.26Å |
| 111 | R | 82.7 | Confident | 84.1 | Confident | 62 Ų | 62 | 57.1 Ų | 57.1 | 23% | 0.234 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -68.1 | -35.9 | 176.8 | -72.9 | 177.5 | 174.6 | -178.6 | -4.7 | 112.7 | T50 S51 I107 S108 A113 S114 | T50-R111 PolarHBondContact O-NH2 3.26Å; S51-R111 PolarHBondContact OG-NH1 2.75Å; I107-R111 WeakPolarHBondContact O-CG 3.36Å; I107-R111 PolarHBondContact O-N 2.84Å; S108-R111 PolarHBondContact O-N 3.3Å; R111-A113 VanDerWaalsContact C-N 3.28Å; R111-A113 PolarHBondContact O-N 3.34Å; R111-S114 WeakPolarHBondContact O-CB 3.48Å; R111-S114 PolarHBondContact O-N 2.86Å |
| 112 | Q | 77.8 | Confident | 84.1 | Confident | 34 Ų | 34 | 58.4 Ų | 58.4 | 16% | 0.159 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -68.4 | -27.8 | 175.6 | -71.3 | 167.4 | -2.8 | 0 | 0 | 112.9 | S108 T109 S114 H115 M257 H848 | S108-Q112 VanDerWaalsContact O-CG 3.25Å; S108-Q112 WeakPolarHBondContact O-CG 3.34Å; S108-Q112 PolarHBondContact O-N 3.27Å; T109-Q112 PolarHBondContact O-N 2.83Å; Q112-S114 PolarHBondContact O-N 2.89Å; Q112-S114 VanDerWaalsContact O-N 3.14Å; Q112-H115 PolarHBondContact O-ND1 3.5Å; Q112-M257 HydrophobicContact CG-CE 4.08Å; Q112-H848 PolarHBondContact NE2-O 3.22Å; Q112-H848 PolarHBondContact OE1-CE1 3.23Å; Q112-H848 PolarHBondContact OE1-ND1 2.96Å; Q112-H848 PolarHBondContact OE1-NE2 3.45Å; Q112-H848 PolarHBondContact OE1-O 3.39Å |
| 113 | A | 81.4 | Confident | 84.1 | Confident | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 26% | 0.263 | C | S | . | . | G | 310 helix | trans | -78.9 | 19.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | T109 F110 R111 H115 L116 R122 Y125 | T109-A113 WeakPolarHBondContact O-CB 3.35Å; T109-A113 PolarHBondContact O-N 3.37Å; T109-A113 VanDerWaalsContact O-N 3.16Å; F110-A113 PolarHBondContact O-N 2.96Å; R111-A113 VanDerWaalsContact C-N 3.28Å; R111-A113 PolarHBondContact O-N 3.34Å; A113-H115 PolarHBondContact O-N 2.84Å; A113-H115 VanDerWaalsContact O-N 3.17Å; A113-L116 HydrophobicContact CB-CD1 4.42Å; A113-L116 PolarHBondContact O-N 3.47Å; A113-R122 HydrophobicContact CB-CG 3.73Å; A113-R122 WeakPolarHBondContact O-CD 3.42Å; A113-R122 WeakPolarHBondContact O-CG 3.5Å; A113-Y125 HydrophobicContact CB-CD1 3.69Å; A113-Y125 HydrophobicContact CB-CE1 4.09Å |
| 114 | S | 77.6 | Confident | 84 | Confident | 69 Ų | 69 | 63.4 Ų | 63.4 | 48% | 0.483 | 29% | 0.286 | S | S | . | . | G | 310 helix | trans | -60.3 | -23.2 | 179.6 | 60.7 | 0 | 0 | 0 | 0 | 114.1 | R111 Q112 L116 | R111-S114 WeakPolarHBondContact O-CB 3.48Å; R111-S114 PolarHBondContact O-N 2.86Å; Q112-S114 PolarHBondContact O-N 2.89Å; Q112-S114 VanDerWaalsContact O-N 3.14Å; S114-L116 PolarHBondContact O-N 2.87Å |
| 115 | H | 76.8 | Confident | 83.9 | Confident | 132 Ų | 132 | 65.3 Ų | 65.3 | 61% | 0.611 | 29% | 0.293 | S | S | * | . | G | 310 helix | trans | -64 | -22.3 | 174.9 | 66.1 | -84.2 | 0 | 0 | 0 | 113.3 | Q112 A113 R117 | Q112-H115 PolarHBondContact O-ND1 3.5Å; A113-H115 PolarHBondContact O-N 2.84Å; A113-H115 VanDerWaalsContact O-N 3.17Å; H115-R117 PolarHBondContact O-N 2.84Å |
| 116 | L | 82.3 | Confident | 84 | Confident | 46 Ų | 46 | 65 Ų | 65 | 24% | 0.241 | 29% | 0.291 | C | S | . | . | trans | -85.2 | 105.3 | 174.2 | -65.5 | 167.6 | 0 | 0 | 0 | 109.8 | A113 S114 R118 R122 Y125 | A113-L116 HydrophobicContact CB-CD1 4.42Å; A113-L116 PolarHBondContact O-N 3.47Å; S114-L116 PolarHBondContact O-N 2.87Å; L116-R118 VanDerWaalsContact C-N 3.34Å; L116-R118 PolarHBondContact O-N 3.43Å; L116-R122 HydrophobicContact CB-CB 4.17Å; L116-Y125 HydrophobicContact CD1-CG 4.1Å | ||
| 117 | R | 76 | Confident | 84 | Confident | 248 Ų | 248 | 68.8 Ų | 68.8 | 94% | 0.936 | 31% | 0.31 | S | S | * | . | trans | -67.2 | -28.7 | -177.1 | -68.3 | -174 | 179.7 | -174.3 | -0.1 | 114 | H115 | H115-R117 PolarHBondContact O-N 2.84Š| ||
| 118 | R | 84.1 | Confident | 83.9 | Confident | 161 Ų | 161 | 75.8 Ų | 75.8 | 61% | 0.608 | 34% | 0.341 | S | S | * | . | S | Bend | trans | -84 | 122.8 | -179.7 | -64.8 | -164.6 | -173.7 | 102.7 | 1.8 | 110.5 | L116 R120 E121 R122 | L116-R118 VanDerWaalsContact C-N 3.34Å; L116-R118 PolarHBondContact O-N 3.43Å; R118-R120 VanDerWaalsContact C-N 3.28Å; R118-R120 PolarHBondContact O-N 3.27Å; R118-E121 HydrophobicContact CB-CB 4.15Å; R118-E121 HydrophobicContact CB-CG 4.07Å; R118-E121 WeakPolarHBondContact CD-OE1 3.29Å; R118-E121 IonicContact CZ-OE1 2.83Å; R118-E121 IonicContact NE-OE1 3.69Å; R118-E121 IonicContact NH1-OE1 3.64Å; R118-E121 PolarHBondContact NH1-OE1 3.46Å; R118-E121 IonicContact NH1-OE2 2.75Å; R118-E121 PolarHBondContact O-N 3.31Å; R118-R122 PolarHBondContact O-N 2.98Å |
| 119 | P | 81.3 | Confident | 83.9 | Confident | 82 Ų | 82 | 75.6 Ų | 75.6 | 53% | 0.532 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -62.6 | -33.8 | -175.8 | 23.1 | -33.1 | 0 | 0 | 0 | 112.8 | M123 | P119-M123 WeakPolarHBondContact O-CB 3.34Å; P119-M123 PolarHBondContact O-N 2.98Å |
| 120 | R | 85.8 | Confident | 84 | Confident | 202 Ų | 202 | 75.1 Ų | 75.1 | 76% | 0.762 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -66.3 | -44.7 | 176.9 | -173.5 | 178.8 | 180 | -175.3 | 0.4 | 112.3 | R118 M123 I124 | R118-R120 VanDerWaalsContact C-N 3.28Å; R118-R120 PolarHBondContact O-N 3.27Å; R120-M123 PolarHBondContact O-N 3.45Å; R120-I124 HydrophobicContact CG-CD1 4.13Å; R120-I124 VanDerWaalsContact O-CG1 3.29Å; R120-I124 WeakPolarHBondContact O-CG1 3.44Å; R120-I124 PolarHBondContact O-N 3.09Å |
| 121 | E | 86.1 | Confident | 84.1 | Confident | 85 Ų | 85 | 75.5 Ų | 75.5 | 40% | 0.397 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -67.8 | -41.2 | 178.6 | -68.3 | 172.4 | -176 | 0 | 0 | 110.7 | R118 M123 I124 Y125 | R118-E121 HydrophobicContact CB-CB 4.15Å; R118-E121 HydrophobicContact CB-CG 4.07Å; R118-E121 WeakPolarHBondContact CD-OE1 3.29Å; R118-E121 IonicContact CZ-OE1 2.83Å; R118-E121 IonicContact NE-OE1 3.69Å; R118-E121 IonicContact NH1-OE1 3.64Å; R118-E121 PolarHBondContact NH1-OE1 3.46Å; R118-E121 IonicContact NH1-OE2 2.75Å; R118-E121 PolarHBondContact O-N 3.31Å; E121-M123 VanDerWaalsContact C-N 3.33Å; E121-M123 PolarHBondContact O-N 3.09Å; E121-I124 PolarHBondContact O-N 2.94Å; E121-Y125 PolarHBondContact O-N 3.2Å |
| 122 | R | 87.5 | Confident | 84.2 | Confident | 39 Ų | 39 | 75.9 Ų | 75.9 | 15% | 0.147 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -55.9 | -46.7 | 173.3 | -169.4 | 169.4 | 77.4 | -172 | 4.8 | 111.6 | F110 A113 L116 R118 Y125 T126 T186 | F110-R122 HydrophobicContact CD2-CG 4.09Å; F110-R122 HydrophobicContact CE2-CG 3.98Å; F110-R122 VanDerWaalsContact CE2-NE 3.34Å; F110-R122 VanDerWaalsContact CZ-CZ 3.49Å; A113-R122 HydrophobicContact CB-CG 3.73Å; A113-R122 WeakPolarHBondContact O-CD 3.42Å; A113-R122 WeakPolarHBondContact O-CG 3.5Å; L116-R122 HydrophobicContact CB-CB 4.17Å; R118-R122 PolarHBondContact O-N 2.98Å; R122-Y125 PolarHBondContact O-N 3.35Å; R122-T126 PolarHBondContact O-N 2.68Å; R122-T126 PolarHBondContact O-OG1 3.39Å; R122-T186 VanDerWaalsContact NH2-CG2 3.26Å; R122-T186 PolarHBondContact NH2-OG1 3.42Å |
| 123 | M | 89 | Confident | 84.6 | Confident | 13 Ų | 13 | 74.7 Ų | 74.7 | 6% | 0.064 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -65.9 | -43.3 | 178.8 | -175.7 | 51.9 | 67.1 | 0 | 0 | 113.1 | F110 P119 R120 E121 Y125 T126 I127 P179 L182 C183 | F110-M123 HydrophobicContact CD2-CE 3.95Å; F110-M123 HydrophobicContact CE2-CE 3.58Å; F110-M123 HydrophobicContact CZ-CE 4.35Å; P119-M123 WeakPolarHBondContact O-CB 3.34Å; P119-M123 PolarHBondContact O-N 2.98Å; R120-M123 PolarHBondContact O-N 3.45Å; E121-M123 VanDerWaalsContact C-N 3.33Å; E121-M123 PolarHBondContact O-N 3.09Å; M123-Y125 VanDerWaalsContact C-N 3.27Å; M123-Y125 PolarHBondContact O-N 3.23Å; M123-T126 PolarHBondContact O-N 3.08Å; M123-T126 VanDerWaalsContact O-N 3.15Å; M123-I127 HydrophobicContact CG-CD1 3.92Å; M123-I127 HydrophobicContact CG-CG1 4.4Å; M123-I127 WeakPolarHBondContact O-CG1 3.39Å; M123-I127 PolarHBondContact O-N 3.11Å; M123-I127 HydrophobicContact SD-CD1 4.03Å; M123-I127 HydrophobicContact SD-CG1 3.99Å; M123-P179 HydrophobicContact CE-CB 4.49Å; M123-P179 WeakPolarHBondContact CE-O 3.32Å; M123-P179 HydrophobicContact SD-CB 3.73Å; M123-L182 HydrophobicContact CE-CB 3.49Å; M123-L182 VanDerWaalsContact CE-CB 3.49Å; M123-L182 HydrophobicContact CE-CD1 4.29Å; M123-C183 VanDerWaalsContact CE-SG 3.56Å |
| 124 | I | 88.6 | Confident | 85 | Confident | 98 Ų | 98 | 74.7 Ų | 74.7 | 50% | 0.503 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -60.5 | -42.3 | 177.6 | -69.4 | 165.5 | 0 | 0 | 0 | 110.3 | R120 E121 K128 | R120-I124 HydrophobicContact CG-CD1 4.13Å; R120-I124 VanDerWaalsContact O-CG1 3.29Å; R120-I124 WeakPolarHBondContact O-CG1 3.44Å; R120-I124 PolarHBondContact O-N 3.09Å; E121-I124 PolarHBondContact O-N 2.94Å; I124-K128 WeakPolarHBondContact O-CB 3.33Å; I124-K128 PolarHBondContact O-N 3.42Å |
| 125 | Y | 85.9 | Confident | 85.6 | Confident | 62 Ų | 62 | 75.1 Ų | 75.1 | 24% | 0.243 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -60.6 | -46.9 | 174 | 179.1 | -94.9 | 0 | 0 | 0 | 111.4 | T109 A113 L116 E121 R122 M123 I127 K128 T129 | T109-Y125 HydrophobicContact CG2-CE1 4.46Å; A113-Y125 HydrophobicContact CB-CD1 3.69Å; A113-Y125 HydrophobicContact CB-CE1 4.09Å; L116-Y125 HydrophobicContact CD1-CG 4.1Å; E121-Y125 PolarHBondContact O-N 3.2Å; R122-Y125 PolarHBondContact O-N 3.35Å; M123-Y125 VanDerWaalsContact C-N 3.27Å; M123-Y125 PolarHBondContact O-N 3.23Å; Y125-I127 PolarHBondContact O-N 3.15Å; Y125-K128 PolarHBondContact O-N 3.44Å; Y125-T129 VanDerWaalsContact O-CB 3.26Å; Y125-T129 WeakPolarHBondContact O-CB 3.18Å; Y125-T129 PolarHBondContact O-N 3.45Å; Y125-T129 PolarHBondContact O-OG1 3.15Å |
| 126 | T | 88.8 | Confident | 86.1 | Confident | 0 Ų | 0 | 69.3 Ų | 69.3 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -59.7 | -47.9 | 177.8 | -57.6 | 0 | 0 | 0 | 0 | 112.4 | F106 T109 F110 R122 M123 K128 T129 A130 | F106-T126 HydrophobicContact CD1-CG2 4.17Å; T109-T126 HydrophobicContact CG2-CG2 4.36Å; F110-T126 WeakPolarHBondContact CA-OG1 3.05Å; F110-T126 HydrophobicContact CB-CG2 4Å; F110-T126 HydrophobicContact CD2-CG2 4.47Å; F110-T126 WeakPolarHBondContact CD2-OG1 3.42Å; R122-T126 PolarHBondContact O-N 2.68Å; R122-T126 PolarHBondContact O-OG1 3.39Å; M123-T126 PolarHBondContact O-N 3.08Å; M123-T126 VanDerWaalsContact O-N 3.15Å; T126-K128 PolarHBondContact O-N 2.88Å; T126-T129 PolarHBondContact O-N 3.29Å; T126-A130 HydrophobicContact CG2-CB 4.31Å; T126-A130 WeakPolarHBondContact O-CA 3.22Å; T126-A130 VanDerWaalsContact O-CB 3.22Å; T126-A130 WeakPolarHBondContact O-CB 3.48Å; T126-A130 PolarHBondContact O-N 2.96Å |
| 127 | I | 90.1 | Very high | 86.3 | Confident | 81 Ų | 81 | 67.3 Ų | 67.3 | 42% | 0.415 | 30% | 0.296 | S | S | . | . | I | π-helix | trans | -63.5 | -43 | 179.8 | -67.1 | 169.7 | 0 | 0 | 0 | 110.9 | M123 Y125 T129 G131 P179 | M123-I127 HydrophobicContact CG-CD1 3.92Å; M123-I127 HydrophobicContact CG-CG1 4.4Å; M123-I127 WeakPolarHBondContact O-CG1 3.39Å; M123-I127 PolarHBondContact O-N 3.11Å; M123-I127 HydrophobicContact SD-CD1 4.03Å; M123-I127 HydrophobicContact SD-CG1 3.99Å; Y125-I127 PolarHBondContact O-N 3.15Å; I127-T129 VanDerWaalsContact C-N 3.33Å; I127-T129 PolarHBondContact O-N 3.38Å; I127-G131 WeakPolarHBondContact O-CA 3.43Å; I127-G131 PolarHBondContact O-N 3.38Å; I127-P179 HydrophobicContact CD1-CB 3.94Å; I127-P179 HydrophobicContact CD1-CG 4.25Å; I127-P179 HydrophobicContact CG1-CB 4.07Å; I127-P179 HydrophobicContact CG1-CG 3.97Å |
| 128 | K | 85.7 | Confident | 87.1 | Confident | 149 Ų | 149 | 55.8 Ų | 55.8 | 65% | 0.648 | 25% | 0.253 | S | S | * | . | I | π-helix | trans | -65.2 | -38.3 | -179.8 | -171.9 | -179.2 | 176.5 | -169 | 0 | 112 | I124 Y125 T126 R132 | I124-K128 WeakPolarHBondContact O-CB 3.33Å; I124-K128 PolarHBondContact O-N 3.42Å; Y125-K128 PolarHBondContact O-N 3.44Å; T126-K128 PolarHBondContact O-N 2.88Å; K128-R132 VanDerWaalsContact O-CB 3.23Å; K128-R132 WeakPolarHBondContact O-CB 3.41Å |
| 129 | T | 83.1 | Confident | 87.4 | Confident | 9 Ų | 9 | 52.8 Ų | 52.8 | 6% | 0.055 | 25% | 0.245 | C | C | . | . | I | π-helix | trans | -86.5 | -60.7 | -175.3 | -58.6 | 0 | 0 | 0 | 0 | 111.7 | T109 Y125 T126 I127 A133 L819 | T109-T129 HydrophobicContact CG2-CG2 3.97Å; Y125-T129 VanDerWaalsContact O-CB 3.26Å; Y125-T129 WeakPolarHBondContact O-CB 3.18Å; Y125-T129 PolarHBondContact O-N 3.45Å; Y125-T129 PolarHBondContact O-OG1 3.15Å; T126-T129 PolarHBondContact O-N 3.29Å; I127-T129 VanDerWaalsContact C-N 3.33Å; I127-T129 PolarHBondContact O-N 3.38Å; T129-A133 PolarHBondContact O-N 2.87Å; T129-A133 VanDerWaalsContact O-N 3.1Å; T129-L819 HydrophobicContact CG2-CD1 3.48Å; T129-L819 VanDerWaalsContact CG2-CD1 3.48Å; T129-L819 HydrophobicContact CG2-CD2 3.95Å; T129-L819 HydrophobicContact CG2-CG 4.37Å |
| 130 | A | 87 | Confident | 87.7 | Confident | 1 Ų | 1 | 48.9 Ų | 48.9 | 1% | 0.008 | 22% | 0.22 | C | C | . | . | I | π-helix | trans | -70 | -40.2 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | V105 F106 T109 T126 R132 A133 T134 | V105-A130 HydrophobicContact CG1-CB 4.22Å; F106-A130 HydrophobicContact CD1-CB 3.94Å; F106-A130 HydrophobicContact CD2-CB 4.4Å; F106-A130 HydrophobicContact CE1-CB 4.16Å; F106-A130 HydrophobicContact CG-CB 4.08Å; F106-A130 HydrophobicContact CZ-CB 4.49Å; T109-A130 HydrophobicContact CG2-CB 4.15Å; T126-A130 HydrophobicContact CG2-CB 4.31Å; T126-A130 WeakPolarHBondContact O-CA 3.22Å; T126-A130 VanDerWaalsContact O-CB 3.22Å; T126-A130 WeakPolarHBondContact O-CB 3.48Å; T126-A130 PolarHBondContact O-N 2.96Å; A130-R132 VanDerWaalsContact C-N 3.34Å; A130-R132 PolarHBondContact O-N 3.03Å; A130-A133 PolarHBondContact O-N 3.43Å; A130-T134 WeakPolarHBondContact O-CB 3.5Å; A130-T134 WeakPolarHBondContact O-CG2 3.35Å; A130-T134 PolarHBondContact O-N 3.45Å; A130-T134 PolarHBondContact O-OG1 3.34Å |
| 131 | G | 88.8 | Confident | 87.9 | Confident | 13 Ų | 13 | 39.4 Ų | 39.4 | 13% | 0.134 | 18% | 0.184 | C | C | . | . | I | π-helix | trans | -65.3 | -36 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | I127 T134 F135 | I127-G131 WeakPolarHBondContact O-CA 3.43Å; I127-G131 PolarHBondContact O-N 3.38Å; G131-T134 PolarHBondContact O-OG1 3.06Å; G131-F135 WeakPolarHBondContact O-CB 3.25Å; G131-F135 PolarHBondContact O-N 3.07Å |
| 132 | R | 85.6 | Confident | 88.2 | Confident | 69 Ų | 69 | 35.7 Ų | 35.7 | 26% | 0.26 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -65.9 | -52.7 | 171.2 | -174.8 | 171.9 | 77.8 | 172 | -4.9 | 110.4 | K128 A130 T134 F135 L136 E815 | K128-R132 VanDerWaalsContact O-CB 3.23Å; K128-R132 WeakPolarHBondContact O-CB 3.41Å; A130-R132 VanDerWaalsContact C-N 3.34Å; A130-R132 PolarHBondContact O-N 3.03Å; R132-T134 PolarHBondContact O-N 2.82Å; R132-F135 PolarHBondContact O-N 3.33Å; R132-L136 VanDerWaalsContact O-CG 3.3Å; R132-L136 WeakPolarHBondContact O-CG 3.42Å; R132-L136 PolarHBondContact O-N 3.06Å; R132-E815 IonicContact CZ-OE1 2.82Å; R132-E815 IonicContact CZ-OE2 3.73Å; R132-E815 IonicContact NE-OE1 2.72Å; R132-E815 PolarHBondContact NE-OE1 2.64Å; R132-E815 IonicContact NE-OE2 2.77Å; R132-E815 IonicContact NH2-OE1 2.77Å; R132-E815 PolarHBondContact NH2-OE1 3.22Å; R132-E815 IonicContact NH2-OE2 3.49Å; R132-E815 PolarHBondContact NH2-OE2 2.83Å |
| 133 | A | 85.4 | Confident | 88.2 | Confident | 10 Ų | 10 | 34.7 Ų | 34.7 | 8% | 0.083 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -57.5 | -49.5 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | T129 A130 L136 T137 E815 | T129-A133 PolarHBondContact O-N 2.87Å; T129-A133 VanDerWaalsContact O-N 3.1Å; A130-A133 PolarHBondContact O-N 3.43Å; A133-L136 WeakPolarHBondContact O-CB 3.43Å; A133-L136 PolarHBondContact O-N 3.33Å; A133-T137 PolarHBondContact O-N 3.1Å; A133-T137 PolarHBondContact O-OG1 2.74Å; A133-E815 HydrophobicContact CB-CG 4.05Å |
| 134 | T | 89.8 | Confident | 88.2 | Confident | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -67.9 | -36.8 | 179.8 | 53.5 | 0 | 0 | 0 | 0 | 112.7 | D102 V105 F106 A130 G131 R132 L136 T137 S138 | D102-T134 HydrophobicContact CB-CG2 4.23Å; V105-T134 HydrophobicContact CB-CG2 3.92Å; V105-T134 HydrophobicContact CG1-CG2 3.77Å; F106-T134 HydrophobicContact CD2-CG2 4.25Å; F106-T134 HydrophobicContact CE2-CG2 4.09Å; F106-T134 WeakPolarHBondContact CE2-OG1 3.29Å; A130-T134 WeakPolarHBondContact O-CB 3.5Å; A130-T134 WeakPolarHBondContact O-CG2 3.35Å; A130-T134 PolarHBondContact O-N 3.45Å; A130-T134 PolarHBondContact O-OG1 3.34Å; G131-T134 PolarHBondContact O-OG1 3.06Å; R132-T134 PolarHBondContact O-N 2.82Å; T134-L136 VanDerWaalsContact C-N 3.25Å; T134-L136 PolarHBondContact O-N 3.39Å; T134-T137 WeakPolarHBondContact CA-OG1 3.26Å; T134-T137 PolarHBondContact O-N 3.33Å; T134-T137 PolarHBondContact O-OG1 3.4Å; T134-S138 WeakPolarHBondContact O-CB 3.26Å; T134-S138 PolarHBondContact O-N 3.01Å; T134-S138 PolarHBondContact O-OG 3.07Å |
| 135 | F | 91.1 | Very high | 88.3 | Confident | 78 Ų | 78 | 30 Ų | 30 | 34% | 0.342 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -59 | -40.1 | 174.2 | 175 | -107.5 | 0 | 0 | 0 | 112.2 | G131 R132 F139 W171 F759 | G131-F135 WeakPolarHBondContact O-CB 3.25Å; G131-F135 PolarHBondContact O-N 3.07Å; R132-F135 PolarHBondContact O-N 3.33Å; F135-F139 WeakPolarHBondContact O-CB 3.25Å; F135-F139 PolarHBondContact O-N 3.22Å; F135-W171 VanDerWaalsContact CA-NE1 3.26Å; F135-W171 HydrophobicContact CB-CZ2 3.66Å; F135-W171 HydrophobicContact CD2-CD2 4.03Å; F135-W171 AromaticContact CD2-CE2 3.63Å; F135-W171 HydrophobicContact CD2-CE3 4.11Å; F135-W171 AromaticContact CD2-CH2 3.48Å; F135-W171 HydrophobicContact CD2-CH2 3.48Å; F135-W171 VanDerWaalsContact CD2-CH2 3.48Å; F135-W171 AromaticContact CD2-CZ2 3.37Å; F135-W171 HydrophobicContact CD2-CZ2 3.37Å; F135-W171 AromaticContact CD2-CZ3 3.85Å; F135-W171 HydrophobicContact CD2-CZ3 3.85Å; F135-W171 HydrophobicContact CE2-CH2 4.04Å; F135-W171 HydrophobicContact CE2-CZ2 4.36Å; F135-W171 HydrophobicContact CE2-CZ3 4.16Å; F135-W171 HydrophobicContact CG-CH2 4.33Å; F135-W171 AromaticContact CG-CZ2 3.87Å; F135-W171 HydrophobicContact CG-CZ2 3.87Å; F135-F759 HydrophobicContact CE1-CE1 4.28Å; F135-F759 HydrophobicContact CE1-CZ 4.1Å |
| 136 | L | 85.6 | Confident | 88.5 | Confident | 10 Ų | 10 | 28.7 Ų | 28.7 | 5% | 0.052 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -64.2 | -48.2 | 179.8 | -62.5 | -175 | 0 | 0 | 0 | 111.4 | R132 A133 T134 F139 T140 F759 | R132-L136 VanDerWaalsContact O-CG 3.3Å; R132-L136 WeakPolarHBondContact O-CG 3.42Å; R132-L136 PolarHBondContact O-N 3.06Å; A133-L136 WeakPolarHBondContact O-CB 3.43Å; A133-L136 PolarHBondContact O-N 3.33Å; T134-L136 VanDerWaalsContact C-N 3.25Å; T134-L136 PolarHBondContact O-N 3.39Å; L136-F139 PolarHBondContact O-N 2.72Å; L136-T140 WeakPolarHBondContact O-CG2 3.21Å; L136-T140 PolarHBondContact O-N 3.39Å; L136-T140 PolarHBondContact O-OG1 2.89Å; L136-F759 HydrophobicContact CD1-CB 4.11Å; L136-F759 HydrophobicContact CD1-CG 4.34Å; L136-F759 HydrophobicContact CD2-CB 3.88Å; L136-F759 HydrophobicContact CD2-CD1 3.1Å; L136-F759 HydrophobicContact CD2-CD2 3.45Å; L136-F759 VanDerWaalsContact CD2-CD2 3.45Å; L136-F759 HydrophobicContact CD2-CE1 3.22Å; L136-F759 HydrophobicContact CD2-CE2 3.59Å; L136-F759 HydrophobicContact CD2-CG 3.2Å; L136-F759 HydrophobicContact CD2-CZ 3.47Å; L136-F759 VanDerWaalsContact CD2-CZ 3.47Å; L136-F759 HydrophobicContact CG-CD1 4.44Å; L136-F759 HydrophobicContact CG-CG 4.32Å |
| 137 | T | 87.9 | Confident | 88.4 | Confident | 4 Ų | 4 | 28.7 Ų | 28.7 | 3% | 0.025 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -67.7 | -46.6 | -179 | 52 | 0 | 0 | 0 | 0 | 111.7 | A133 T134 F139 T140 T141 D808 L811 H812 | A133-T137 PolarHBondContact O-N 3.1Å; A133-T137 PolarHBondContact O-OG1 2.74Å; T134-T137 WeakPolarHBondContact CA-OG1 3.26Å; T134-T137 PolarHBondContact O-N 3.33Å; T134-T137 PolarHBondContact O-OG1 3.4Å; T137-F139 VanDerWaalsContact C-N 3.31Å; T137-F139 PolarHBondContact O-N 2.97Å; T137-T140 WeakPolarHBondContact CA-OG1 3.49Å; T137-T140 PolarHBondContact O-N 2.89Å; T137-T140 PolarHBondContact O-OG1 3.27Å; T137-T141 WeakPolarHBondContact O-CB 3.31Å; T137-T141 PolarHBondContact O-N 3.34Å; T137-T141 PolarHBondContact O-OG1 2.82Å; T137-D808 HydrophobicContact CG2-CB 4.05Å; T137-L811 HydrophobicContact CG2-CB 4.37Å; T137-H812 WeakPolarHBondContact CG2-NE2 3.44Å |
| 138 | S | 91.7 | Very high | 88.1 | Confident | 6 Ų | 6 | 24.9 Ų | 24.9 | 4% | 0.042 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -63.8 | -37.1 | 176.9 | -43.3 | 0 | 0 | 0 | 0 | 111.8 | D102 T134 A142 V167 | D102-S138 PolarHBondContact OD2-OG 3.41Å; T134-S138 WeakPolarHBondContact O-CB 3.26Å; T134-S138 PolarHBondContact O-N 3.01Å; T134-S138 PolarHBondContact O-OG 3.07Å; S138-A142 WeakPolarHBondContact O-CB 3.43Å; S138-A142 PolarHBondContact O-N 3.45Å; S138-V167 WeakPolarHBondContact O-CG1 3.46Å |
| 139 | F | 90.3 | Very high | 88.2 | Confident | 98 Ų | 98 | 19.7 Ų | 19.7 | 43% | 0.43 | 11% | 0.107 | S | C | . | . | H | α-helix | trans | -66.7 | -45.6 | 176 | 179.4 | -96.6 | 0 | 0 | 0 | 112 | F135 L136 T137 T141 A142 A143 A755 F759 | F135-F139 WeakPolarHBondContact O-CB 3.25Å; F135-F139 PolarHBondContact O-N 3.22Å; L136-F139 PolarHBondContact O-N 2.72Å; T137-F139 VanDerWaalsContact C-N 3.31Å; T137-F139 PolarHBondContact O-N 2.97Å; F139-T141 VanDerWaalsContact C-N 3.32Å; F139-T141 PolarHBondContact O-N 2.91Å; F139-A142 PolarHBondContact O-N 3.44Å; F139-A143 WeakPolarHBondContact O-CB 3.43Å; F139-A143 PolarHBondContact O-N 2.87Å; F139-A755 HydrophobicContact CD1-CB 4.26Å; F139-A755 HydrophobicContact CE1-CB 4.05Å; F139-F759 AromaticContact CD1-CE2 3.8Å; F139-F759 HydrophobicContact CD1-CE2 3.8Å; F139-F759 HydrophobicContact CD1-CZ 4.16Å; F139-F759 HydrophobicContact CE1-CE2 4.21Å |
| 140 | T | 88.1 | Confident | 88.2 | Confident | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -62.6 | -41.9 | 177.2 | 44.1 | 0 | 0 | 0 | 0 | 111.6 | L136 T137 A143 A144 A755 L811 | L136-T140 WeakPolarHBondContact O-CG2 3.21Å; L136-T140 PolarHBondContact O-N 3.39Å; L136-T140 PolarHBondContact O-OG1 2.89Å; T137-T140 WeakPolarHBondContact CA-OG1 3.49Å; T137-T140 PolarHBondContact O-N 2.89Å; T137-T140 PolarHBondContact O-OG1 3.27Å; T140-A143 PolarHBondContact O-N 3.44Å; T140-A144 WeakPolarHBondContact O-CB 3.42Å; T140-A144 PolarHBondContact O-N 3.15Å; T140-A755 HydrophobicContact CG2-CB 3.67Å; T140-L811 HydrophobicContact CG2-CD1 4.16Å |
| 141 | T | 89.9 | Confident | 87.8 | Confident | 3 Ų | 3 | 26.6 Ų | 26.6 | 2% | 0.018 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -69.2 | -44.1 | 179.1 | -69.9 | 0 | 0 | 0 | 0 | 111.8 | I98 T137 F139 A143 A144 Y145 V167 D808 | I98-T141 HydrophobicContact CD1-CG2 4.35Å; T137-T141 WeakPolarHBondContact O-CB 3.31Å; T137-T141 PolarHBondContact O-N 3.34Å; T137-T141 PolarHBondContact O-OG1 2.82Å; F139-T141 VanDerWaalsContact C-N 3.32Å; F139-T141 PolarHBondContact O-N 2.91Å; T141-A143 VanDerWaalsContact C-N 3.33Å; T141-A143 PolarHBondContact O-N 2.63Å; T141-A144 PolarHBondContact O-N 3.39Å; T141-Y145 HydrophobicContact CG2-CD2 3.88Å; T141-Y145 HydrophobicContact CG2-CE2 3.61Å; T141-Y145 WeakPolarHBondContact O-CD2 3.32Å; T141-Y145 PolarHBondContact O-N 3.48Å; T141-V167 HydrophobicContact CG2-CG1 4.17Å; T141-V167 HydrophobicContact CG2-CG2 4.26Å; T141-D808 PolarHBondContact OG1-OD1 3.36Å; T141-D808 PolarHBondContact OG1-OD2 2.88Å; T141-D808 VanDerWaalsContact OG1-OD2 3.07Å |
| 142 | A | 92.2 | Very high | 87.2 | Confident | 7 Ų | 7 | 32.6 Ų | 32.6 | 6% | 0.058 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -61.6 | -40.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | S138 F139 Y145 A146 A164 V167 | S138-A142 WeakPolarHBondContact O-CB 3.43Å; S138-A142 PolarHBondContact O-N 3.45Å; F139-A142 PolarHBondContact O-N 3.44Å; A142-Y145 PolarHBondContact O-N 2.85Å; A142-A146 VanDerWaalsContact O-CB 3.32Å; A142-A146 WeakPolarHBondContact O-CB 3.43Å; A142-A146 PolarHBondContact O-N 3.14Å; A142-A164 WeakPolarHBondContact O-CB 3.48Å; A142-V167 HydrophobicContact CB-CB 4.28Å; A142-V167 HydrophobicContact CB-CG1 4.08Å |
| 143 | A | 88.8 | Confident | 86.8 | Confident | 18 Ų | 18 | 30.7 Ų | 30.7 | 15% | 0.149 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -69.2 | -36.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | F139 T140 T141 A146 A147 I751 | F139-A143 WeakPolarHBondContact O-CB 3.43Å; F139-A143 PolarHBondContact O-N 2.87Å; T140-A143 PolarHBondContact O-N 3.44Å; T141-A143 VanDerWaalsContact C-N 3.33Å; T141-A143 PolarHBondContact O-N 2.63Å; A143-A146 PolarHBondContact O-N 3.26Å; A143-A147 PolarHBondContact O-N 2.62Å; A143-I751 HydrophobicContact CB-CG2 3.53Å |
| 144 | A | 88 | Confident | 86.5 | Confident | 1 Ų | 1 | 32.2 Ų | 32.2 | 1% | 0.008 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -63.6 | -42.2 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | T140 T141 A147 | T140-A144 WeakPolarHBondContact O-CB 3.42Å; T140-A144 PolarHBondContact O-N 3.15Å; T141-A144 PolarHBondContact O-N 3.39Å; A144-A147 WeakPolarHBondContact O-CB 3.44Å; A144-A147 PolarHBondContact O-N 3.02Å |
| 145 | Y | 90 | Very high | 86 | Confident | 10 Ų | 10 | 34.2 Ų | 34.2 | 4% | 0.039 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -65.7 | -40.6 | 172.5 | -78.4 | -64.9 | 0 | 0 | 0 | 112.4 | I98 T141 A142 A147 N148 F159 G160 M163 V167 I801 | I98-Y145 HydrophobicContact CD1-CE2 4.43Å; T141-Y145 HydrophobicContact CG2-CD2 3.88Å; T141-Y145 HydrophobicContact CG2-CE2 3.61Å; T141-Y145 WeakPolarHBondContact O-CD2 3.32Å; T141-Y145 PolarHBondContact O-N 3.48Å; A142-Y145 PolarHBondContact O-N 2.85Å; Y145-A147 VanDerWaalsContact C-N 3.26Å; Y145-A147 PolarHBondContact O-N 3.25Å; Y145-N148 WeakPolarHBondContact O-CB 3.17Å; Y145-N148 PolarHBondContact O-N 3.38Å; Y145-N148 VanDerWaalsContact O-N 3.09Å; Y145-F159 HydrophobicContact CD1-CE1 4.23Å; Y145-F159 HydrophobicContact CE1-CE1 4.06Å; Y145-F159 HydrophobicContact CE1-CZ 4.15Å; Y145-G160 CarbonylContact O-C 3.59Å; Y145-G160 WeakPolarHBondContact O-CA 3.43Å; Y145-M163 HydrophobicContact CD1-CB 3.44Å; Y145-M163 VanDerWaalsContact CD1-CB 3.44Å; Y145-M163 HydrophobicContact CD1-CG 3.99Å; Y145-M163 HydrophobicContact CD2-CB 4Å; Y145-M163 HydrophobicContact CE1-CB 3.81Å; Y145-M163 HydrophobicContact CE1-CE 3.97Å; Y145-M163 HydrophobicContact CE1-CG 3.92Å; Y145-M163 HydrophobicContact CE2-CB 4.34Å; Y145-M163 HydrophobicContact CE2-CE 3.89Å; Y145-M163 HydrophobicContact CG-CB 3.55Å; Y145-M163 WeakPolarHBondContact OH-CE 3.46Å; Y145-V167 HydrophobicContact CD2-CG2 4.19Å; Y145-V167 HydrophobicContact CE2-CG2 4.18Å; Y145-I801 HydrophobicContact CD1-CG1 4.06Å; Y145-I801 HydrophobicContact CD1-CG2 4.28Å; Y145-I801 HydrophobicContact CE1-CB 4.09Å; Y145-I801 HydrophobicContact CE1-CD1 4.12Å; Y145-I801 HydrophobicContact CE1-CG1 3.72Å; Y145-I801 HydrophobicContact CE1-CG2 3.32Å; Y145-I801 VanDerWaalsContact CZ-CG2 3.46Å; Y145-I801 VanDerWaalsContact OH-CG2 3.24Å; Y145-I801 WeakPolarHBondContact OH-CG2 3.35Å |
| 146 | A | 90.1 | Very high | 85.5 | Confident | 36 Ų | 36 | 30.7 Ų | 30.7 | 30% | 0.298 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -63.9 | -30.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | A142 A143 N148 T149 A164 | A142-A146 VanDerWaalsContact O-CB 3.32Å; A142-A146 WeakPolarHBondContact O-CB 3.43Å; A142-A146 PolarHBondContact O-N 3.14Å; A143-A146 PolarHBondContact O-N 3.26Å; A146-N148 PolarHBondContact O-N 3.03Å; A146-T149 WeakPolarHBondContact O-CB 3.47Å; A146-T149 WeakPolarHBondContact O-CG2 3.4Å; A146-T149 PolarHBondContact O-N 3.12Å; A146-T149 PolarHBondContact O-OG1 3.29Å; A146-A164 HydrophobicContact CB-CB 4.05Å |
| 147 | A | 87.2 | Confident | 85.5 | Confident | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -57.3 | -31 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | A143 A144 Y145 T149 F150 S744 L747 I751 | A143-A147 PolarHBondContact O-N 2.62Å; A144-A147 WeakPolarHBondContact O-CB 3.44Å; A144-A147 PolarHBondContact O-N 3.02Å; Y145-A147 VanDerWaalsContact C-N 3.26Å; Y145-A147 PolarHBondContact O-N 3.25Å; A147-T149 PolarHBondContact O-N 2.78Å; A147-F150 WeakPolarHBondContact O-CD2 3.34Å; A147-F150 PolarHBondContact O-N 3.22Å; A147-F150 VanDerWaalsContact O-N 3.14Å; A147-S744 PolarHBondContact O-OG 2.99Å; A147-L747 HydrophobicContact CB-CD2 4.31Å; A147-L747 HydrophobicContact CB-CG 4.22Å; A147-I751 HydrophobicContact CB-CD1 3.94Å |
| 148 | N | 85.1 | Confident | 85.5 | Confident | 1 Ų | 1 | 33.3 Ų | 33.3 | 1% | 0.005 | 18% | 0.179 | C | C | . | . | G | 310 helix | trans | -69.8 | -13.9 | 177.4 | -65.9 | -51.1 | 0 | 0 | 0 | 113.7 | Y145 A146 F150 S151 V156 S744 S800 | Y145-N148 WeakPolarHBondContact O-CB 3.17Å; Y145-N148 PolarHBondContact O-N 3.38Å; Y145-N148 VanDerWaalsContact O-N 3.09Å; A146-N148 PolarHBondContact O-N 3.03Å; N148-F150 PolarHBondContact O-N 2.96Å; N148-S151 VanDerWaalsContact O-CB 3.23Å; N148-S151 WeakPolarHBondContact O-CB 3.48Å; N148-S151 PolarHBondContact O-N 2.91Å; N148-V156 HydrophobicContact CB-CG1 4.13Å; N148-S744 WeakPolarHBondContact CA-OG 3.34Å; N148-S744 PolarHBondContact OD1-OG 3.14Å; N148-S800 PolarHBondContact OD1-OG 3.35Å |
| 149 | T | 86.6 | Confident | 85.3 | Confident | 40 Ų | 40 | 33.3 Ų | 33.3 | 25% | 0.245 | 18% | 0.178 | C | C | . | . | G | 310 helix | trans | -67.2 | -14.1 | 170.7 | 67.1 | 0 | 0 | 0 | 0 | 112.8 | A146 A147 S151 H157 L161 | A146-T149 WeakPolarHBondContact O-CB 3.47Å; A146-T149 WeakPolarHBondContact O-CG2 3.4Å; A146-T149 PolarHBondContact O-N 3.12Å; A146-T149 PolarHBondContact O-OG1 3.29Å; A147-T149 PolarHBondContact O-N 2.78Å; T149-S151 VanDerWaalsContact C-N 3.27Å; T149-H157 PolarHBondContact O-CD2 3.31Å; T149-L161 HydrophobicContact CG2-CB 3.9Å |
| 150 | F | 82.8 | Confident | 85.2 | Confident | 149 Ų | 149 | 28.6 Ų | 28.6 | 65% | 0.654 | 16% | 0.158 | S | C | * | . | G | 310 helix | trans | -81.6 | -6.6 | 171.2 | -69 | -86.5 | 0 | 0 | 0 | 113.1 | A147 N148 L747 | A147-F150 WeakPolarHBondContact O-CD2 3.34Å; A147-F150 PolarHBondContact O-N 3.22Å; A147-F150 VanDerWaalsContact O-N 3.14Å; N148-F150 PolarHBondContact O-N 2.96Å; F150-L747 HydrophobicContact CB-CD2 4.01Å; F150-L747 HydrophobicContact CD1-CD2 4.5Å; F150-L747 HydrophobicContact CD2-CD2 3.27Å; F150-L747 HydrophobicContact CE2-CD2 3.79Å; F150-L747 HydrophobicContact CG-CD2 3.67Å |
| 151 | S | 79.6 | Confident | 85.4 | Confident | 6 Ų | 6 | 29.9 Ų | 29.9 | 4% | 0.042 | 16% | 0.164 | C | C | . | . | trans | -67.3 | 136.7 | 175.9 | -174.9 | 0 | 0 | 0 | 0 | 110.8 | N148 T149 I153 S740 | N148-S151 VanDerWaalsContact O-CB 3.23Å; N148-S151 WeakPolarHBondContact O-CB 3.48Å; N148-S151 PolarHBondContact O-N 2.91Å; T149-S151 VanDerWaalsContact C-N 3.27Å; S151-I153 PolarHBondContact O-N 2.95Å; S151-I153 PolarHBondContact OG-N 3.21Å; S151-S740 PolarHBondContact OG-OG 3.14Å | ||
| 152 | Q | 76.4 | Confident | 85.5 | Confident | 139 Ų | 139 | 30.3 Ų | 30.3 | 65% | 0.65 | 17% | 0.166 | S | C | * | . | S | Bend | trans | -76.3 | -9.5 | 175.7 | -62.4 | -174 | 9.2 | 0 | 0 | 112.5 | P154 I736 | Q152-P154 WeakPolarHBondContact O-CD 3.45Å; Q152-I736 HydrophobicContact CB-CG2 3.83Å; Q152-I736 HydrophobicContact CG-CG2 4.39Å |
| 153 | I | 75.8 | Confident | 85.5 | Confident | 29 Ų | 29 | 30 Ų | 30 | 15% | 0.149 | 16% | 0.163 | C | C | . | . | trans | -80.8 | 115.7 | 174.9 | -50.5 | 179 | 0 | 0 | 0 | 108.6 | S151 A155 V156 H157 | S151-I153 PolarHBondContact O-N 2.95Å; S151-I153 PolarHBondContact OG-N 3.21Å; I153-A155 VanDerWaalsContact C-N 3.29Å; I153-A155 HydrophobicContact CG2-CB 4.35Å; I153-A155 PolarHBondContact O-N 2.94Å; I153-V156 HydrophobicContact CB-CB 4.11Å; I153-V156 HydrophobicContact CB-CG2 3.78Å; I153-V156 HydrophobicContact CD1-CG2 4.02Å; I153-V156 HydrophobicContact CG1-CG2 4.47Å; I153-V156 HydrophobicContact CG2-CG2 3.87Å; I153-V156 PolarHBondContact O-N 3.36Å; I153-H157 PolarHBondContact O-N 3.17Å | ||
| 154 | P | 79.1 | Confident | 85.7 | Confident | 41 Ų | 41 | 29.7 Ų | 29.7 | 27% | 0.266 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -56.2 | -42.5 | -177 | -26.5 | 35.3 | 0 | 0 | 0 | 113.1 | Q152 V156 H157 D158 | Q152-P154 WeakPolarHBondContact O-CD 3.45Å; P154-V156 PolarHBondContact O-N 3.42Å; P154-H157 WeakPolarHBondContact O-CB 3.33Å; P154-H157 PolarHBondContact O-N 3.45Å; P154-D158 WeakPolarHBondContact O-CB 3.23Å; P154-D158 PolarHBondContact O-N 3.37Å |
| 155 | A | 79.3 | Confident | 86 | Confident | 43 Ų | 43 | 30.8 Ų | 30.8 | 36% | 0.355 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -61.2 | -29.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | L87 I153 F159 | L87-A155 HydrophobicContact CD1-CB 3.96Å; I153-A155 VanDerWaalsContact C-N 3.29Å; I153-A155 HydrophobicContact CG2-CB 4.35Å; I153-A155 PolarHBondContact O-N 2.94Å; A155-F159 WeakPolarHBondContact O-CB 3.43Å; A155-F159 PolarHBondContact O-N 2.86Å |
| 156 | V | 81.2 | Confident | 86.2 | Confident | 3 Ų | 3 | 30.4 Ų | 30.4 | 2% | 0.018 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -85.4 | -41.6 | 178.6 | -179 | 0 | 0 | 0 | 0 | 110.9 | N148 I153 P154 F159 G160 I797 | N148-V156 HydrophobicContact CB-CG1 4.13Å; I153-V156 HydrophobicContact CB-CB 4.11Å; I153-V156 HydrophobicContact CB-CG2 3.78Å; I153-V156 HydrophobicContact CD1-CG2 4.02Å; I153-V156 HydrophobicContact CG1-CG2 4.47Å; I153-V156 HydrophobicContact CG2-CG2 3.87Å; I153-V156 PolarHBondContact O-N 3.36Å; P154-V156 PolarHBondContact O-N 3.42Å; V156-F159 PolarHBondContact O-N 2.93Å; V156-G160 PolarHBondContact O-N 3.21Å; V156-I797 HydrophobicContact CB-CD1 4.41Å; V156-I797 HydrophobicContact CG1-CD1 4.34Å; V156-I797 HydrophobicContact CG1-CG1 3.92Å; V156-I797 HydrophobicContact CG1-CG2 4.18Å; V156-I797 HydrophobicContact CG2-CD1 3.21Å; V156-I797 HydrophobicContact CG2-CG1 3.72Å |
| 157 | H | 85.6 | Confident | 86.4 | Confident | 55 Ų | 55 | 28.8 Ų | 28.8 | 26% | 0.255 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -53.7 | -54.3 | 173.4 | 168.7 | -74.3 | 0 | 0 | 0 | 110.8 | T149 I153 P154 F159 G160 L161 | T149-H157 PolarHBondContact O-CD2 3.31Å; I153-H157 PolarHBondContact O-N 3.17Å; P154-H157 WeakPolarHBondContact O-CB 3.33Å; P154-H157 PolarHBondContact O-N 3.45Å; H157-F159 PolarHBondContact O-N 2.93Å; H157-G160 PolarHBondContact O-N 3.47Å; H157-L161 PolarHBondContact O-N 2.84Å |
| 158 | D | 87.1 | Confident | 86.7 | Confident | 14 Ų | 14 | 31.3 Ų | 31.3 | 8% | 0.075 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -67.5 | -39 | -175.9 | -63.9 | -22.2 | 0 | 0 | 0 | 111.8 | P154 L161 F162 H587 | P154-D158 WeakPolarHBondContact O-CB 3.23Å; P154-D158 PolarHBondContact O-N 3.37Å; D158-L161 PolarHBondContact O-N 2.77Å; D158-F162 VanDerWaalsContact O-CB 3.27Å; D158-F162 WeakPolarHBondContact O-CB 3.18Å; D158-F162 PolarHBondContact O-N 3.5Å; D158-H587 IonicContact OD1-CE1 3.47Å; D158-H587 IonicContact OD2-CE1 3.63Å; D158-H587 PolarHBondContact OD2-CE1 2.71Å; D158-H587 IonicContact OD2-NE2 3.94Å |
| 159 | F | 87.5 | Confident | 87.2 | Confident | 6 Ų | 6 | 31.6 Ų | 31.6 | 3% | 0.026 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -61.3 | -46.3 | 172.9 | 169.4 | -93.8 | 0 | 0 | 0 | 111.9 | L87 N88 V90 Y145 A155 V156 H157 F162 M163 I801 | L87-F159 HydrophobicContact CB-CB 4.31Å; L87-F159 HydrophobicContact CB-CD2 4.27Å; L87-F159 HydrophobicContact CB-CG 4.44Å; L87-F159 WeakPolarHBondContact O-CD2 3.17Å; N88-F159 VanDerWaalsContact OD1-CA 3.22Å; N88-F159 WeakPolarHBondContact OD1-CA 3.32Å; V90-F159 HydrophobicContact CB-CE2 4.21Å; Y145-F159 HydrophobicContact CD1-CE1 4.23Å; Y145-F159 HydrophobicContact CE1-CE1 4.06Å; Y145-F159 HydrophobicContact CE1-CZ 4.15Å; A155-F159 WeakPolarHBondContact O-CB 3.43Å; A155-F159 PolarHBondContact O-N 2.86Å; V156-F159 PolarHBondContact O-N 2.93Å; H157-F159 PolarHBondContact O-N 2.93Å; F159-F162 PolarHBondContact O-N 3.25Å; F159-M163 HydrophobicContact CD2-CG 4.14Å; F159-M163 HydrophobicContact CE1-CG 4.04Å; F159-M163 HydrophobicContact CE2-CG 3.62Å; F159-M163 HydrophobicContact CE2-SD 4.27Å; F159-M163 HydrophobicContact CZ-CG 3.57Å; F159-M163 HydrophobicContact CZ-SD 4.45Å; F159-M163 WeakPolarHBondContact O-CB 3.42Å; F159-M163 WeakPolarHBondContact O-CG 3.36Å; F159-M163 PolarHBondContact O-N 3.49Å; F159-I801 HydrophobicContact CD1-CD1 4.38Å; F159-I801 HydrophobicContact CE1-CD1 3.37Å; F159-I801 HydrophobicContact CE1-CG1 4.24Å; F159-I801 HydrophobicContact CZ-CD1 3.93Å |
| 160 | G | 89.3 | Confident | 87.6 | Confident | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -62 | -44.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y145 V156 H157 A164 | Y145-G160 CarbonylContact O-C 3.59Å; Y145-G160 WeakPolarHBondContact O-CA 3.43Å; V156-G160 PolarHBondContact O-N 3.21Å; H157-G160 PolarHBondContact O-N 3.47Å; G160-A164 VanDerWaalsContact O-CB 3.31Å; G160-A164 WeakPolarHBondContact O-CB 3.5Å; G160-A164 PolarHBondContact O-N 2.97Å |
| 161 | L | 91 | Very high | 88.1 | Confident | 26 Ų | 26 | 25.5 Ų | 25.5 | 14% | 0.136 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -60.8 | -48.9 | 175.2 | 179.4 | 63.3 | 0 | 0 | 0 | 111.3 | Y75 F79 T149 H157 D158 M163 A164 L165 | Y75-L161 HydrophobicContact CE2-CD2 4.43Å; F79-L161 HydrophobicContact CB-CD2 4.3Å; F79-L161 HydrophobicContact CD1-CD1 4.32Å; F79-L161 HydrophobicContact CD1-CD2 4.03Å; F79-L161 HydrophobicContact CE1-CD1 4.02Å; F79-L161 HydrophobicContact CE2-CD1 4.48Å; F79-L161 HydrophobicContact CG-CD2 4.05Å; F79-L161 HydrophobicContact CZ-CD1 4.1Å; T149-L161 HydrophobicContact CG2-CB 3.9Å; H157-L161 PolarHBondContact O-N 2.84Å; D158-L161 PolarHBondContact O-N 2.77Å; L161-M163 PolarHBondContact O-N 2.77Å; L161-A164 PolarHBondContact O-N 3.27Å; L161-L165 HydrophobicContact CD1-CD1 4.35Å; L161-L165 HydrophobicContact CG-CD1 4.28Å; L161-L165 WeakPolarHBondContact O-CG 3.39Å; L161-L165 PolarHBondContact O-N 2.96Å; L161-L165 VanDerWaalsContact O-N 3.1Å |
| 162 | F | 92.6 | Very high | 88.9 | Confident | 12 Ų | 12 | 29.9 Ų | 29.9 | 5% | 0.053 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -61.9 | -45.9 | -178.4 | -175.6 | -125.8 | 0 | 0 | 0 | 112.1 | L72 Y75 L84 N88 A91 D158 F159 L165 I166 | L72-F162 HydrophobicContact CD2-CE2 3.67Å; L72-F162 HydrophobicContact CD2-CZ 3.71Å; L72-F162 HydrophobicContact CG-CE2 4.23Å; L72-F162 HydrophobicContact CG-CZ 4.34Å; Y75-F162 HydrophobicContact CD1-CD2 4.48Å; Y75-F162 HydrophobicContact CD2-CB 3.98Å; Y75-F162 AromaticContact CD2-CD2 3.78Å; Y75-F162 HydrophobicContact CD2-CD2 3.78Å; Y75-F162 HydrophobicContact CD2-CG 4.31Å; Y75-F162 HydrophobicContact CE2-CB 3.81Å; Y75-F162 HydrophobicContact CE2-CD2 4.27Å; Y75-F162 HydrophobicContact CE2-CG 4.39Å; Y75-F162 AromaticContact CG-CD2 3.88Å; Y75-F162 HydrophobicContact CG-CD2 3.88Å; Y75-F162 HydrophobicContact CG-CE2 4.49Å; L84-F162 HydrophobicContact CD2-CZ 4.43Å; N88-F162 HydrophobicContact CB-CD1 3.93Å; N88-F162 HydrophobicContact CB-CE1 4.2Å; A91-F162 HydrophobicContact CB-CD1 3.97Å; A91-F162 HydrophobicContact CB-CE1 3.71Å; D158-F162 VanDerWaalsContact O-CB 3.27Å; D158-F162 WeakPolarHBondContact O-CB 3.18Å; D158-F162 PolarHBondContact O-N 3.5Å; F159-F162 PolarHBondContact O-N 3.25Å; F162-L165 PolarHBondContact O-N 3.19Å; F162-I166 HydrophobicContact CD1-CD1 3.77Å; F162-I166 HydrophobicContact CD2-CD1 4.16Å; F162-I166 HydrophobicContact CD2-CG1 4.46Å; F162-I166 HydrophobicContact CE1-CD1 3.37Å; F162-I166 HydrophobicContact CE2-CD1 3.77Å; F162-I166 HydrophobicContact CE2-CG1 4.19Å; F162-I166 HydrophobicContact CG-CD1 4.16Å; F162-I166 HydrophobicContact CZ-CD1 3.39Å; F162-I166 HydrophobicContact CZ-CG1 4.27Å; F162-I166 WeakPolarHBondContact O-CG1 3.46Å; F162-I166 PolarHBondContact O-N 3.06Å |
| 163 | M | 91.8 | Very high | 89.8 | Confident | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -65.3 | -40.8 | 177.6 | -74 | -60.9 | -67 | 0 | 0 | 112.7 | A91 V94 Y145 F159 L161 L165 I166 V167 | A91-M163 VanDerWaalsContact CA-SD 3.59Å; A91-M163 HydrophobicContact CB-SD 3.3Å; A91-M163 WeakPolarHBondContact CB-SD 3.35Å; V94-M163 HydrophobicContact CB-CE 4.22Å; V94-M163 HydrophobicContact CG1-CE 3.95Å; Y145-M163 HydrophobicContact CD1-CB 3.44Å; Y145-M163 VanDerWaalsContact CD1-CB 3.44Å; Y145-M163 HydrophobicContact CD1-CG 3.99Å; Y145-M163 HydrophobicContact CD2-CB 4Å; Y145-M163 HydrophobicContact CE1-CB 3.81Å; Y145-M163 HydrophobicContact CE1-CE 3.97Å; Y145-M163 HydrophobicContact CE1-CG 3.92Å; Y145-M163 HydrophobicContact CE2-CB 4.34Å; Y145-M163 HydrophobicContact CE2-CE 3.89Å; Y145-M163 HydrophobicContact CG-CB 3.55Å; Y145-M163 WeakPolarHBondContact OH-CE 3.46Å; F159-M163 HydrophobicContact CD2-CG 4.14Å; F159-M163 HydrophobicContact CE1-CG 4.04Å; F159-M163 HydrophobicContact CE2-CG 3.62Å; F159-M163 HydrophobicContact CE2-SD 4.27Å; F159-M163 HydrophobicContact CZ-CG 3.57Å; F159-M163 HydrophobicContact CZ-SD 4.45Å; F159-M163 WeakPolarHBondContact O-CB 3.42Å; F159-M163 WeakPolarHBondContact O-CG 3.36Å; F159-M163 PolarHBondContact O-N 3.49Å; L161-M163 PolarHBondContact O-N 2.77Å; M163-L165 VanDerWaalsContact C-N 3.3Å; M163-L165 PolarHBondContact O-N 3.22Å; M163-I166 PolarHBondContact O-N 3.45Å; M163-V167 WeakPolarHBondContact O-CG2 3.42Å; M163-V167 PolarHBondContact O-N 2.91Å |
| 164 | A | 93.3 | Very high | 90.6 | Very high | 12 Ų | 12 | 25.4 Ų | 25.4 | 10% | 0.099 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -60.8 | -40.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112 | A142 A146 G160 L161 S168 | A142-A164 WeakPolarHBondContact O-CB 3.48Å; A146-A164 HydrophobicContact CB-CB 4.05Å; G160-A164 VanDerWaalsContact O-CB 3.31Å; G160-A164 WeakPolarHBondContact O-CB 3.5Å; G160-A164 PolarHBondContact O-N 2.97Å; L161-A164 PolarHBondContact O-N 3.27Å; A164-S168 WeakPolarHBondContact O-CB 3.4Å; A164-S168 PolarHBondContact O-N 2.99Å; A164-S168 VanDerWaalsContact O-N 3.1Å; A164-S168 PolarHBondContact O-OG 3Å |
| 165 | L | 94.2 | Very high | 91.3 | Very high | 25 Ų | 25 | 25 Ų | 25 | 13% | 0.131 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -67.1 | -44.7 | 175.6 | -67.7 | 171.4 | 0 | 0 | 0 | 112.1 | A71 Y75 F79 L161 F162 M163 S168 C169 | A71-L165 HydrophobicContact CB-CB 4.38Å; Y75-L165 HydrophobicContact CD2-CD1 4.39Å; F79-L165 HydrophobicContact CD2-CD1 3.7Å; F79-L165 HydrophobicContact CE2-CD1 3.51Å; F79-L165 HydrophobicContact CE2-CD2 3.67Å; F79-L165 HydrophobicContact CE2-CG 4.15Å; F79-L165 HydrophobicContact CZ-CD1 4.44Å; F79-L165 HydrophobicContact CZ-CD2 4.17Å; L161-L165 HydrophobicContact CD1-CD1 4.35Å; L161-L165 HydrophobicContact CG-CD1 4.28Å; L161-L165 WeakPolarHBondContact O-CG 3.39Å; L161-L165 PolarHBondContact O-N 2.96Å; L161-L165 VanDerWaalsContact O-N 3.1Å; F162-L165 PolarHBondContact O-N 3.19Å; M163-L165 VanDerWaalsContact C-N 3.3Å; M163-L165 PolarHBondContact O-N 3.22Å; L165-S168 PolarHBondContact O-N 2.52Å; L165-C169 WeakPolarHBondContact O-CB 3.33Å; L165-C169 PolarHBondContact O-N 3.43Å; L165-C169 PolarHBondContact O-SG 3.48Å |
| 166 | I | 94.4 | Very high | 91.9 | Very high | 2 Ų | 2 | 27.9 Ų | 27.9 | 1% | 0.01 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -58.1 | -52.3 | 177.6 | -78 | 174.6 | 0 | 0 | 0 | 110.8 | A71 A91 I95 F162 M163 S168 C169 A170 | A71-I166 HydrophobicContact CB-CB 4.24Å; A71-I166 HydrophobicContact CB-CG1 3.48Å; A71-I166 VanDerWaalsContact CB-CG1 3.48Å; A91-I166 HydrophobicContact CB-CD1 4.01Å; I95-I166 HydrophobicContact CB-CG2 4.06Å; I95-I166 HydrophobicContact CD1-CG2 3.11Å; I95-I166 HydrophobicContact CG1-CG2 3.42Å; I95-I166 VanDerWaalsContact CG1-CG2 3.42Å; F162-I166 HydrophobicContact CD1-CD1 3.77Å; F162-I166 HydrophobicContact CD2-CD1 4.16Å; F162-I166 HydrophobicContact CD2-CG1 4.46Å; F162-I166 HydrophobicContact CE1-CD1 3.37Å; F162-I166 HydrophobicContact CE2-CD1 3.77Å; F162-I166 HydrophobicContact CE2-CG1 4.19Å; F162-I166 HydrophobicContact CG-CD1 4.16Å; F162-I166 HydrophobicContact CZ-CD1 3.39Å; F162-I166 HydrophobicContact CZ-CG1 4.27Å; F162-I166 WeakPolarHBondContact O-CG1 3.46Å; F162-I166 PolarHBondContact O-N 3.06Å; M163-I166 PolarHBondContact O-N 3.45Å; I166-S168 VanDerWaalsContact C-N 3.33Å; I166-S168 PolarHBondContact O-N 3.31Å; I166-C169 PolarHBondContact O-N 2.84Å; I166-A170 WeakPolarHBondContact O-CB 3.27Å; I166-A170 PolarHBondContact O-N 3.38Å |
| 167 | V | 93.8 | Very high | 92.5 | Very high | 1 Ų | 1 | 29.3 Ų | 29.3 | 1% | 0.006 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -62.9 | -41.3 | -177.9 | 173.9 | 0 | 0 | 0 | 0 | 110.9 | S138 T141 A142 Y145 M163 A170 W171 | S138-V167 WeakPolarHBondContact O-CG1 3.46Å; T141-V167 HydrophobicContact CG2-CG1 4.17Å; T141-V167 HydrophobicContact CG2-CG2 4.26Å; A142-V167 HydrophobicContact CB-CB 4.28Å; A142-V167 HydrophobicContact CB-CG1 4.08Å; Y145-V167 HydrophobicContact CD2-CG2 4.19Å; Y145-V167 HydrophobicContact CE2-CG2 4.18Å; M163-V167 WeakPolarHBondContact O-CG2 3.42Å; M163-V167 PolarHBondContact O-N 2.91Å; V167-A170 PolarHBondContact O-N 2.92Å; V167-W171 PolarHBondContact O-N 3.49Å; V167-W171 VanDerWaalsContact O-N 3.11Å |
| 168 | S | 94.7 | Very high | 92.8 | Very high | 53 Ų | 53 | 27 Ų | 27 | 37% | 0.371 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -63.6 | -43.5 | 177 | -57.4 | 0 | 0 | 0 | 0 | 112.2 | A164 L165 I166 A170 L172 | A164-S168 WeakPolarHBondContact O-CB 3.4Å; A164-S168 PolarHBondContact O-N 2.99Å; A164-S168 VanDerWaalsContact O-N 3.1Å; A164-S168 PolarHBondContact O-OG 3Å; L165-S168 PolarHBondContact O-N 2.52Å; I166-S168 VanDerWaalsContact C-N 3.33Å; I166-S168 PolarHBondContact O-N 3.31Å; S168-A170 VanDerWaalsContact C-N 3.35Å; S168-L172 WeakPolarHBondContact O-CG 3.44Å; S168-L172 PolarHBondContact O-N 3.32Å |
| 169 | C | 95.4 | Very high | 93 | Very high | 8 Ų | 8 | 26.9 Ų | 26.9 | 5% | 0.054 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -68.2 | -35.1 | 176.7 | -67.2 | 0 | 0 | 0 | 0 | 112 | M70 A71 L165 I166 L172 W173 | M70-C169 HydrophobicContact CB-CB 4.5Å; A71-C169 HydrophobicContact CB-CB 4.48Å; L165-C169 WeakPolarHBondContact O-CB 3.33Å; L165-C169 PolarHBondContact O-N 3.43Å; L165-C169 PolarHBondContact O-SG 3.48Å; I166-C169 PolarHBondContact O-N 2.84Å; C169-L172 PolarHBondContact O-N 2.95Å; C169-W173 PolarHBondContact O-N 3.02Å |
| 170 | A | 94.6 | Very high | 93.2 | Very high | 2 Ų | 2 | 28.9 Ų | 28.9 | 2% | 0.017 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -61.6 | -49.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | S67 I95 I166 V167 S168 L172 W173 V174 | S67-A170 VanDerWaalsContact CB-CA 3.42Å; I95-A170 HydrophobicContact CD1-CB 4.11Å; I166-A170 WeakPolarHBondContact O-CB 3.27Å; I166-A170 PolarHBondContact O-N 3.38Å; V167-A170 PolarHBondContact O-N 2.92Å; S168-A170 VanDerWaalsContact C-N 3.35Å; A170-L172 VanDerWaalsContact C-N 3.34Å; A170-L172 PolarHBondContact O-N 3.28Å; A170-W173 PolarHBondContact O-N 2.92Å; A170-V174 WeakPolarHBondContact O-CB 3.4Å; A170-V174 VanDerWaalsContact O-CG2 3.29Å; A170-V174 WeakPolarHBondContact O-CG2 3.22Å; A170-V174 PolarHBondContact O-N 3.1Å |
| 171 | W | 94.6 | Very high | 93.3 | Very high | 58 Ų | 58 | 29 Ų | 29 | 22% | 0.22 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -59 | -43.7 | 176.3 | 176.8 | 76.6 | 0 | 0 | 0 | 112.8 | F135 V167 W173 V174 S175 | F135-W171 VanDerWaalsContact CA-NE1 3.26Å; F135-W171 HydrophobicContact CB-CZ2 3.66Å; F135-W171 HydrophobicContact CD2-CD2 4.03Å; F135-W171 AromaticContact CD2-CE2 3.63Å; F135-W171 HydrophobicContact CD2-CE3 4.11Å; F135-W171 AromaticContact CD2-CH2 3.48Å; F135-W171 HydrophobicContact CD2-CH2 3.48Å; F135-W171 VanDerWaalsContact CD2-CH2 3.48Å; F135-W171 AromaticContact CD2-CZ2 3.37Å; F135-W171 HydrophobicContact CD2-CZ2 3.37Å; F135-W171 AromaticContact CD2-CZ3 3.85Å; F135-W171 HydrophobicContact CD2-CZ3 3.85Å; F135-W171 HydrophobicContact CE2-CH2 4.04Å; F135-W171 HydrophobicContact CE2-CZ2 4.36Å; F135-W171 HydrophobicContact CE2-CZ3 4.16Å; F135-W171 HydrophobicContact CG-CH2 4.33Å; F135-W171 AromaticContact CG-CZ2 3.87Å; F135-W171 HydrophobicContact CG-CZ2 3.87Å; V167-W171 PolarHBondContact O-N 3.49Å; V167-W171 VanDerWaalsContact O-N 3.11Å; W171-W173 PolarHBondContact O-N 3.43Å; W171-V174 PolarHBondContact O-N 3.36Å; W171-S175 PolarHBondContact NE1-OG 2.65Å; W171-S175 VanDerWaalsContact NE1-OG 3.15Å; W171-S175 WeakPolarHBondContact O-CB 3.17Å; W171-S175 PolarHBondContact O-N 3.43Å; W171-S175 PolarHBondContact O-OG 3.23Å |
| 172 | L | 94.8 | Very high | 93.2 | Very high | 98 Ų | 98 | 27.8 Ų | 27.8 | 51% | 0.513 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -59.7 | -47.3 | 178.3 | -74.2 | 171.1 | 0 | 0 | 0 | 111.6 | S168 C169 A170 V176 | S168-L172 WeakPolarHBondContact O-CG 3.44Å; S168-L172 PolarHBondContact O-N 3.32Å; C169-L172 PolarHBondContact O-N 2.95Å; A170-L172 VanDerWaalsContact C-N 3.34Å; A170-L172 PolarHBondContact O-N 3.28Å; L172-V176 WeakPolarHBondContact O-CG2 3.46Å; L172-V176 PolarHBondContact O-N 2.65Å |
| 173 | W | 95.4 | Very high | 93.1 | Very high | 75 Ų | 75 | 30.2 Ų | 30.2 | 28% | 0.284 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -69.8 | -41.6 | 179.9 | -85.5 | 108.6 | 0 | 0 | 0 | 112.9 | A63 L66 M70 C169 A170 W171 V176 L177 | A63-W173 HydrophobicContact CB-CB 4.43Å; L66-W173 HydrophobicContact CB-CD2 4.11Å; L66-W173 HydrophobicContact CB-CG 4.41Å; L66-W173 HydrophobicContact CB-CZ2 4.39Å; L66-W173 HydrophobicContact CD1-CE3 4.27Å; L66-W173 HydrophobicContact CD1-CH2 4.36Å; L66-W173 HydrophobicContact CD1-CZ3 4.12Å; M70-W173 HydrophobicContact CE-CZ2 3.93Å; C169-W173 PolarHBondContact O-N 3.02Å; A170-W173 PolarHBondContact O-N 2.92Å; W171-W173 PolarHBondContact O-N 3.43Å; W173-V176 PolarHBondContact O-N 3.13Å; W173-L177 WeakPolarHBondContact O-CB 3.28Å; W173-L177 PolarHBondContact O-N 3.04Å |
| 174 | V | 93.9 | Very high | 93 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -63.6 | -43.6 | 176.7 | 173.6 | 0 | 0 | 0 | 0 | 110.6 | A63 D102 V103 F106 A170 W171 V176 M178 | A63-V174 HydrophobicContact CB-CG2 4.07Å; D102-V174 HydrophobicContact CB-CB 4.46Å; D102-V174 HydrophobicContact CB-CG1 3.93Å; D102-V174 HydrophobicContact CB-CG2 4.48Å; V103-V174 HydrophobicContact CG2-CG1 4.03Å; V103-V174 HydrophobicContact CG2-CG2 3.83Å; F106-V174 HydrophobicContact CD2-CG1 3.97Å; F106-V174 HydrophobicContact CE2-CG1 4.15Å; A170-V174 WeakPolarHBondContact O-CB 3.4Å; A170-V174 VanDerWaalsContact O-CG2 3.29Å; A170-V174 WeakPolarHBondContact O-CG2 3.22Å; A170-V174 PolarHBondContact O-N 3.1Å; W171-V174 PolarHBondContact O-N 3.36Å; V174-V176 VanDerWaalsContact C-N 3.27Å; V174-V176 PolarHBondContact O-N 3.38Å; V174-M178 HydrophobicContact CG1-CB 4.23Å; V174-M178 WeakPolarHBondContact O-CB 3Å; V174-M178 PolarHBondContact O-N 3.31Å |
| 175 | S | 92.1 | Very high | 92.8 | Very high | 31 Ų | 31 | 34.4 Ų | 34.4 | 22% | 0.217 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -64.1 | -29.1 | -179.9 | -64.4 | 0 | 0 | 0 | 0 | 113.6 | W171 P179 | W171-S175 PolarHBondContact NE1-OG 2.65Å; W171-S175 VanDerWaalsContact NE1-OG 3.15Å; W171-S175 WeakPolarHBondContact O-CB 3.17Å; W171-S175 PolarHBondContact O-N 3.43Å; W171-S175 PolarHBondContact O-OG 3.23Å; S175-P179 VanDerWaalsContact O-CD 3.23Å; S175-P179 WeakPolarHBondContact O-CD 3.2Å; S175-P179 VanDerWaalsContact O-CG 3.27Å; S175-P179 WeakPolarHBondContact O-CG 3.41Å |
| 176 | V | 92.7 | Very high | 92.4 | Very high | 104 Ų | 104 | 34.6 Ų | 34.6 | 63% | 0.63 | 20% | 0.196 | S | C | * | . | H | α-helix | trans | -89.1 | -48.8 | 177.9 | 174.4 | 0 | 0 | 0 | 0 | 111.5 | L172 W173 V174 | L172-V176 WeakPolarHBondContact O-CG2 3.46Å; L172-V176 PolarHBondContact O-N 2.65Å; W173-V176 PolarHBondContact O-N 3.13Å; V174-V176 VanDerWaalsContact C-N 3.27Å; V174-V176 PolarHBondContact O-N 3.38Å |
| 177 | L | 93.5 | Very high | 91.9 | Very high | 34 Ų | 34 | 44 Ų | 44 | 18% | 0.178 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -79.1 | -36.3 | -170.3 | -167.8 | 59.3 | 0 | 0 | 0 | 112.4 | F59 A63 W173 A180 A181 | F59-L177 HydrophobicContact CD1-CD1 4Å; F59-L177 HydrophobicContact CD1-CD2 4.19Å; F59-L177 HydrophobicContact CD1-CG 4.15Å; F59-L177 HydrophobicContact CE1-CD1 4.44Å; A63-L177 HydrophobicContact CB-CB 4.48Å; A63-L177 HydrophobicContact CB-CD2 3.94Å; W173-L177 WeakPolarHBondContact O-CB 3.28Å; W173-L177 PolarHBondContact O-N 3.04Å; L177-A180 PolarHBondContact O-N 3.06Å; L177-A181 WeakPolarHBondContact O-CB 3.26Å; L177-A181 PolarHBondContact O-N 3.48Å |
| 178 | M | 91.3 | Very high | 91.3 | Very high | 5 Ų | 5 | 49.2 Ų | 49.2 | 3% | 0.025 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -68.8 | -45.9 | -174.1 | -164 | 65.4 | -138.9 | 0 | 0 | 113.1 | L56 V103 F106 I107 V174 A180 A181 L182 | L56-M178 HydrophobicContact CD2-CE 3.8Å; V103-M178 HydrophobicContact CG1-SD 3.86Å; F106-M178 HydrophobicContact CB-CB 4.42Å; F106-M178 HydrophobicContact CB-CG 3.67Å; F106-M178 HydrophobicContact CG-CB 4.42Å; F106-M178 HydrophobicContact CG-CG 4.19Å; I107-M178 HydrophobicContact CD1-CE 3.67Å; I107-M178 HydrophobicContact CD1-SD 4.46Å; I107-M178 HydrophobicContact CG1-CE 3.32Å; I107-M178 HydrophobicContact CG1-SD 4.33Å; V174-M178 HydrophobicContact CG1-CB 4.23Å; V174-M178 WeakPolarHBondContact O-CB 3Å; V174-M178 PolarHBondContact O-N 3.31Å; M178-A180 VanDerWaalsContact C-N 3.31Å; M178-A180 PolarHBondContact O-N 3.41Å; M178-A181 PolarHBondContact O-N 2.89Å; M178-L182 HydrophobicContact CE-CD1 4.09Å; M178-L182 HydrophobicContact CE-CD2 3.78Å; M178-L182 HydrophobicContact CE-CG 3.58Å; M178-L182 HydrophobicContact CG-CD1 4.3Å; M178-L182 WeakPolarHBondContact O-CG 3.35Å; M178-L182 PolarHBondContact O-N 2.99Å |
| 179 | P | 91.4 | Very high | 90.5 | Very high | 12 Ų | 12 | 47.9 Ų | 47.9 | 8% | 0.078 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -61 | -39.5 | 174.2 | -25.9 | 37.8 | 0 | 0 | 0 | 112.8 | F106 M123 I127 S175 L182 C183 | F106-P179 HydrophobicContact CD1-CG 4.37Å; F106-P179 HydrophobicContact CE1-CG 4.03Å; M123-P179 HydrophobicContact CE-CB 4.49Å; M123-P179 WeakPolarHBondContact CE-O 3.32Å; M123-P179 HydrophobicContact SD-CB 3.73Å; I127-P179 HydrophobicContact CD1-CB 3.94Å; I127-P179 HydrophobicContact CD1-CG 4.25Å; I127-P179 HydrophobicContact CG1-CB 4.07Å; I127-P179 HydrophobicContact CG1-CG 3.97Å; S175-P179 VanDerWaalsContact O-CD 3.23Å; S175-P179 WeakPolarHBondContact O-CD 3.2Å; S175-P179 VanDerWaalsContact O-CG 3.27Å; S175-P179 WeakPolarHBondContact O-CG 3.41Å; P179-L182 PolarHBondContact O-N 3.44Å; P179-C183 PolarHBondContact O-N 2.91Å; P179-C183 PolarHBondContact O-SG 3.08Å; P179-C183 VanDerWaalsContact O-SG 3.4Å |
| 180 | A | 91.9 | Very high | 89.6 | Confident | 48 Ų | 48 | 50 Ų | 50 | 40% | 0.397 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -63.3 | -45.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | L177 M178 C183 I184 | L177-A180 PolarHBondContact O-N 3.06Å; M178-A180 VanDerWaalsContact C-N 3.31Å; M178-A180 PolarHBondContact O-N 3.41Å; A180-C183 PolarHBondContact O-N 3.24Å; A180-I184 WeakPolarHBondContact O-CG1 3.34Å; A180-I184 PolarHBondContact O-N 2.96Å; A180-I184 VanDerWaalsContact O-N 3.11Å |
| 181 | A | 91.9 | Very high | 88.5 | Confident | 2 Ų | 2 | 53.1 Ų | 53.1 | 2% | 0.017 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -61.9 | -43.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112 | F55 F59 L177 M178 C183 I184 W185 | F55-A181 HydrophobicContact CE1-CB 4.26Å; F55-A181 WeakPolarHBondContact CE1-O 3.16Å; F59-A181 HydrophobicContact CB-CB 3.85Å; F59-A181 HydrophobicContact CD2-CB 4.43Å; F59-A181 HydrophobicContact CG-CB 4.03Å; L177-A181 WeakPolarHBondContact O-CB 3.26Å; L177-A181 PolarHBondContact O-N 3.48Å; M178-A181 PolarHBondContact O-N 2.89Å; A181-C183 PolarHBondContact O-N 3.13Å; A181-I184 PolarHBondContact O-N 2.83Å; A181-W185 VanDerWaalsContact O-CB 3.29Å; A181-W185 WeakPolarHBondContact O-CB 3.26Å; A181-W185 PolarHBondContact O-N 2.93Å |
| 182 | L | 90.1 | Very high | 87.1 | Confident | 1 Ų | 1 | 56.8 Ų | 56.8 | 1% | 0.005 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -62.9 | -40.2 | 177.1 | -74.7 | 169.6 | 0 | 0 | 0 | 112.6 | L56 I107 F110 M123 M178 P179 W185 T186 | L56-L182 HydrophobicContact CD2-CD2 3.89Å; I107-L182 HydrophobicContact CG1-CD2 4.39Å; F110-L182 HydrophobicContact CB-CD1 3.98Å; F110-L182 HydrophobicContact CB-CD2 4.48Å; F110-L182 HydrophobicContact CD1-CD2 3.89Å; F110-L182 HydrophobicContact CD2-CD1 4.3Å; F110-L182 HydrophobicContact CE1-CD2 4.25Å; F110-L182 HydrophobicContact CE2-CB 4.5Å; F110-L182 HydrophobicContact CG-CD1 4.05Å; F110-L182 HydrophobicContact CG-CD2 4.22Å; F110-L182 HydrophobicContact CZ-CB 4.4Å; M123-L182 HydrophobicContact CE-CB 3.49Å; M123-L182 VanDerWaalsContact CE-CB 3.49Å; M123-L182 HydrophobicContact CE-CD1 4.29Å; M178-L182 HydrophobicContact CE-CD1 4.09Å; M178-L182 HydrophobicContact CE-CD2 3.78Å; M178-L182 HydrophobicContact CE-CG 3.58Å; M178-L182 HydrophobicContact CG-CD1 4.3Å; M178-L182 WeakPolarHBondContact O-CG 3.35Å; M178-L182 PolarHBondContact O-N 2.99Å; P179-L182 PolarHBondContact O-N 3.44Å; L182-W185 PolarHBondContact O-N 3.32Å; L182-T186 PolarHBondContact O-N 3.02Å; L182-T186 PolarHBondContact O-OG1 3.47Å |
| 183 | C | 89.1 | Confident | 85.9 | Confident | 63 Ų | 63 | 54.3 Ų | 54.3 | 43% | 0.426 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -61.2 | -43.1 | 174.6 | -78.6 | 0 | 0 | 0 | 0 | 112.2 | M123 P179 A180 A181 R187 | M123-C183 VanDerWaalsContact CE-SG 3.56Å; P179-C183 PolarHBondContact O-N 2.91Å; P179-C183 PolarHBondContact O-SG 3.08Å; P179-C183 VanDerWaalsContact O-SG 3.4Å; A180-C183 PolarHBondContact O-N 3.24Å; A181-C183 PolarHBondContact O-N 3.13Å; C183-R187 PolarHBondContact O-N 2.85Å |
| 184 | I | 89.8 | Confident | 84.2 | Confident | 80 Ų | 80 | 54 Ų | 54 | 41% | 0.41 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -68.5 | -43.9 | 177.9 | -65.3 | 167.4 | 0 | 0 | 0 | 110.2 | F55 A180 A181 R187 H188 | F55-I184 HydrophobicContact CE1-CB 4.42Å; F55-I184 HydrophobicContact CE1-CG2 4.32Å; F55-I184 HydrophobicContact CE2-CG2 4.27Å; F55-I184 HydrophobicContact CZ-CB 4.07Å; F55-I184 HydrophobicContact CZ-CG2 3.61Å; A180-I184 WeakPolarHBondContact O-CG1 3.34Å; A180-I184 PolarHBondContact O-N 2.96Å; A180-I184 VanDerWaalsContact O-N 3.11Å; A181-I184 PolarHBondContact O-N 2.83Å; I184-R187 PolarHBondContact O-N 2.94Å; I184-H188 PolarHBondContact O-N 3.3Å |
| 185 | W | 89 | Confident | 82.4 | Confident | 20 Ų | 20 | 58.9 Ų | 58.9 | 8% | 0.076 | 31% | 0.307 | C | S | . | . | I | π-helix | trans | -58.6 | -50.8 | -179.4 | 176.9 | 79.2 | 0 | 0 | 0 | 111.5 | S53 F55 L56 F110 A181 L182 R187 V189 E190 E193 | S53-W185 PolarHBondContact OG-NE1 3.26Å; F55-W185 HydrophobicContact CD1-CB 3.98Å; F55-W185 HydrophobicContact CD1-CG 4.47Å; F55-W185 HydrophobicContact CE1-CB 4.08Å; L56-W185 HydrophobicContact CD1-CD2 3.98Å; L56-W185 HydrophobicContact CD1-CG 4.16Å; L56-W185 HydrophobicContact CD1-CZ2 4.47Å; L56-W185 HydrophobicContact CD2-CB 3.88Å; L56-W185 HydrophobicContact CD2-CD2 4.35Å; L56-W185 HydrophobicContact CD2-CG 3.84Å; L56-W185 HydrophobicContact CG-CD2 4.34Å; L56-W185 HydrophobicContact CG-CG 3.98Å; F110-W185 HydrophobicContact CE1-CE3 4.33Å; F110-W185 HydrophobicContact CE1-CZ3 4.18Å; A181-W185 VanDerWaalsContact O-CB 3.29Å; A181-W185 WeakPolarHBondContact O-CB 3.26Å; A181-W185 PolarHBondContact O-N 2.93Å; L182-W185 PolarHBondContact O-N 3.32Å; W185-R187 VanDerWaalsContact C-N 3.27Å; W185-R187 PolarHBondContact O-N 2.91Å; W185-V189 HydrophobicContact CB-CB 4.49Å; W185-V189 HydrophobicContact CG-CB 4.25Å; W185-V189 WeakPolarHBondContact O-CA 3.35Å; W185-V189 PolarHBondContact O-N 2.93Å; W185-E190 HydrophobicContact CH2-CB 4.4Å; W185-E190 HydrophobicContact CH2-CG 4.11Å; W185-E190 HydrophobicContact CZ2-CB 4.28Å; W185-E190 HydrophobicContact CZ2-CG 4.27Å; W185-E190 PolarHBondContact O-N 3.49Å; W185-E193 PolarHBondContact NE1-OE2 3.37Å |
| 186 | T | 85.9 | Confident | 80.8 | Confident | 30 Ų | 30 | 66.1 Ų | 66.1 | 18% | 0.184 | 33% | 0.329 | C | S | . | . | I | π-helix | trans | -61.7 | -32.8 | 178.1 | -67.2 | 0 | 0 | 0 | 0 | 113.3 | F110 R122 L182 | F110-T186 VanDerWaalsContact CE1-OG1 3.29Å; F110-T186 WeakPolarHBondContact CE1-OG1 3.08Å; F110-T186 VanDerWaalsContact CZ-OG1 3.25Å; F110-T186 WeakPolarHBondContact CZ-OG1 3.26Å; R122-T186 VanDerWaalsContact NH2-CG2 3.26Å; R122-T186 PolarHBondContact NH2-OG1 3.42Å; L182-T186 PolarHBondContact O-N 3.02Å; L182-T186 PolarHBondContact O-OG1 3.47Å |
| 187 | R | 84.3 | Confident | 79 | Confident | 199 Ų | 199 | 65.8 Ų | 65.8 | 75% | 0.751 | 32% | 0.322 | S | S | * | . | I | π-helix | trans | -85.1 | -36.1 | -175.8 | -173.4 | 171.2 | 178.2 | 168.2 | 2.1 | 113.7 | C183 I184 W185 | C183-R187 PolarHBondContact O-N 2.85Å; I184-R187 PolarHBondContact O-N 2.94Å; W185-R187 VanDerWaalsContact C-N 3.27Å; W185-R187 PolarHBondContact O-N 2.91Å |
| 188 | H | 80.5 | Confident | 77.3 | Confident | 110 Ų | 110 | 68.6 Ų | 68.6 | 51% | 0.509 | 34% | 0.337 | S | S | . | . | I | π-helix | trans | -123.4 | -26.5 | -169.1 | -58.7 | 91.4 | 0 | 0 | 0 | 114.2 | I184 H192 | I184-H188 PolarHBondContact O-N 3.3Å; H188-H192 PolarHBondContact O-CD2 3.48Å |
| 189 | V | 78.3 | Confident | 75.1 | Confident | 25 Ų | 25 | 71.3 Ų | 71.3 | 15% | 0.152 | 36% | 0.356 | C | S | . | . | I | π-helix | trans | -103.6 | -40.6 | -168.7 | -176.6 | 0 | 0 | 0 | 0 | 112 | F55 W185 H192 E193 | F55-V189 HydrophobicContact CB-CG1 4.03Å; F55-V189 HydrophobicContact CD1-CG2 4.36Å; F55-V189 HydrophobicContact CD2-CG2 3.95Å; F55-V189 HydrophobicContact CE2-CG2 4.19Å; F55-V189 HydrophobicContact CG-CG1 4.4Å; F55-V189 HydrophobicContact CG-CG2 4.03Å; W185-V189 HydrophobicContact CB-CB 4.49Å; W185-V189 HydrophobicContact CG-CB 4.25Å; W185-V189 WeakPolarHBondContact O-CA 3.35Å; W185-V189 PolarHBondContact O-N 2.93Å; V189-H192 PolarHBondContact O-N 2.97Å; V189-H192 VanDerWaalsContact O-N 3.15Å; V189-E193 HydrophobicContact CG1-CG 3.73Å; V189-E193 WeakPolarHBondContact O-CB 3.43Å; V189-E193 PolarHBondContact O-N 2.98Å |
| 190 | E | 76 | Confident | 73.4 | Confident | 53 Ų | 53 | 73 Ų | 73 | 25% | 0.248 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -50.6 | -45.2 | 175.4 | -171.4 | 170.3 | -169.6 | 0 | 0 | 113.5 | W185 H194 | W185-E190 HydrophobicContact CH2-CB 4.4Å; W185-E190 HydrophobicContact CH2-CG 4.11Å; W185-E190 HydrophobicContact CZ2-CB 4.28Å; W185-E190 HydrophobicContact CZ2-CG 4.27Å; W185-E190 PolarHBondContact O-N 3.49Å; E190-H194 PolarHBondContact O-N 2.81Å; E190-H194 PolarHBondContact O-ND1 3.46Å |
| 191 | P | 71.7 | Confident | 71.5 | Confident | 67 Ų | 67 | 77.5 Ų | 77.5 | 44% | 0.435 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -67.7 | -41.8 | 176.2 | 22.8 | -30.8 | 0 | 0 | 0 | 113.2 | H194 D195 | P191-H194 PolarHBondContact O-N 2.9Å; P191-D195 PolarHBondContact O-N 3.44Å |
| 192 | H | 64.8 | Low | 69.5 | Low | 136 Ų | 136 | 84.9 Ų | 84.9 | 63% | 0.63 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -72.9 | -32.5 | -178.8 | -85.9 | -66.3 | 0 | 0 | 0 | 113.9 | H188 V189 H194 D195 W196 | H188-H192 PolarHBondContact O-CD2 3.48Å; V189-H192 PolarHBondContact O-N 2.97Å; V189-H192 VanDerWaalsContact O-N 3.15Å; H192-H194 VanDerWaalsContact C-N 3.34Å; H192-D195 PolarHBondContact O-N 3.37Å; H192-W196 WeakPolarHBondContact O-CB 3.46Å; H192-W196 PolarHBondContact O-N 2.89Å |
| 193 | E | 69.4 | Low | 67.4 | Low | 46 Ų | 46 | 91.6 Ų | 91.6 | 22% | 0.215 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -66.4 | -37.6 | 175.6 | -81.3 | -178.3 | 162.5 | 0 | 0 | 111.1 | S53 W185 V189 M197 | S53-E193 WeakPolarHBondContact CA-OE1 3.44Å; S53-E193 WeakPolarHBondContact CB-OE1 3.35Å; S53-E193 PolarHBondContact OG-OE1 2.84Å; S53-E193 PolarHBondContact OG-OE2 2.85Å; W185-E193 PolarHBondContact NE1-OE2 3.37Å; V189-E193 HydrophobicContact CG1-CG 3.73Å; V189-E193 WeakPolarHBondContact O-CB 3.43Å; V189-E193 PolarHBondContact O-N 2.98Å; E193-M197 WeakPolarHBondContact O-CB 3.28Å; E193-M197 PolarHBondContact O-N 3.33Å |
| 194 | H | 60 | Low | 65.3 | Low | 69 Ų | 69 | 94.2 Ų | 94.2 | 32% | 0.319 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -66.3 | -41.6 | 174.6 | -77.7 | 33.6 | 0 | 0 | 0 | 111.9 | E190 P191 H192 N198 Q256 | E190-H194 PolarHBondContact O-N 2.81Å; E190-H194 PolarHBondContact O-ND1 3.46Å; P191-H194 PolarHBondContact O-N 2.9Å; H192-H194 VanDerWaalsContact C-N 3.34Å; H194-N198 VanDerWaalsContact O-CB 3.31Å; H194-N198 WeakPolarHBondContact O-CB 3.34Å; H194-N198 PolarHBondContact O-N 3.49Å; H194-N198 PolarHBondContact O-ND2 2.84Å; H194-Q256 PolarHBondContact NE2-NE2 2.99Å; H194-Q256 VanDerWaalsContact NE2-NE2 3.14Å; H194-Q256 PolarHBondContact NE2-OE1 3.38Å |
| 195 | D | 57.6 | Low | 63.3 | Low | 101 Ų | 101 | 93.3 Ų | 93.3 | 54% | 0.54 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -65.5 | -43 | 177.2 | -68.1 | -20.5 | 0 | 0 | 0 | 112 | P191 H192 N198 C199 | P191-D195 PolarHBondContact O-N 3.44Å; H192-D195 PolarHBondContact O-N 3.37Å; D195-N198 PolarHBondContact O-N 2.88Å; D195-C199 VanDerWaalsContact O-CB 3.31Å; D195-C199 WeakPolarHBondContact O-CB 3.35Å; D195-C199 PolarHBondContact O-N 3.19Å |
| 196 | W | 57.9 | Low | 60.8 | Low | 183 Ų | 183 | 99.7 Ų | 99.7 | 69% | 0.693 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -66.3 | -44.7 | 176.3 | -180 | -99.9 | 0 | 0 | 0 | 112.2 | H192 N198 C199 V200 | H192-W196 WeakPolarHBondContact O-CB 3.46Å; H192-W196 PolarHBondContact O-N 2.89Å; W196-N198 VanDerWaalsContact C-N 3.32Å; W196-N198 PolarHBondContact O-N 3.23Å; W196-C199 PolarHBondContact O-N 3.09Å; W196-V200 HydrophobicContact CD2-CG2 4.32Å; W196-V200 HydrophobicContact CG-CG2 4.47Å; W196-V200 HydrophobicContact CZ2-CG2 4.25Å; W196-V200 WeakPolarHBondContact O-CB 3.44Å; W196-V200 VanDerWaalsContact O-CG2 3.3Å; W196-V200 WeakPolarHBondContact O-CG2 3.33Å; W196-V200 PolarHBondContact O-N 2.9Å |
| 197 | M | 55.4 | Low | 58.5 | Low | 97 Ų | 97 | 103.6 Ų | 103.6 | 48% | 0.478 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -64.4 | -35.8 | 176.7 | -86 | -167.5 | 55.3 | 0 | 0 | 112.7 | E193 K201 | E193-M197 WeakPolarHBondContact O-CB 3.28Å; E193-M197 PolarHBondContact O-N 3.33Å; M197-K201 WeakPolarHBondContact O-CB 3.37Å; M197-K201 WeakPolarHBondContact O-CG 3.36Å; M197-K201 PolarHBondContact O-N 3.03Å |
| 198 | N | 55.9 | Low | 56 | Low | 93 Ų | 93 | 98 Ų | 98 | 50% | 0.497 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -69.1 | -41.2 | 174.1 | -75.2 | -20 | 0 | 0 | 0 | 111.2 | H194 D195 W196 K201 L202 | H194-N198 VanDerWaalsContact O-CB 3.31Å; H194-N198 WeakPolarHBondContact O-CB 3.34Å; H194-N198 PolarHBondContact O-N 3.49Å; H194-N198 PolarHBondContact O-ND2 2.84Å; D195-N198 PolarHBondContact O-N 2.88Å; W196-N198 VanDerWaalsContact C-N 3.32Å; W196-N198 PolarHBondContact O-N 3.23Å; N198-K201 PolarHBondContact O-N 3.4Å; N198-L202 WeakPolarHBondContact O-CB 3.32Å; N198-L202 PolarHBondContact O-N 3.32Å |
| 199 | C | 45.9 | Very low | 53.6 | Low | 62 Ų | 62 | 97.4 Ų | 97.4 | 42% | 0.419 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -62.2 | -43.5 | 174 | -166.9 | 0 | 0 | 0 | 0 | 112.1 | D195 W196 L202 L203 | D195-C199 VanDerWaalsContact O-CB 3.31Å; D195-C199 WeakPolarHBondContact O-CB 3.35Å; D195-C199 PolarHBondContact O-N 3.19Å; W196-C199 PolarHBondContact O-N 3.09Å; C199-L202 WeakPolarHBondContact O-CB 3.39Å; C199-L202 PolarHBondContact O-N 3.43Å; C199-L203 WeakPolarHBondContact O-CB 3.38Å; C199-L203 PolarHBondContact O-N 3.41Å |
| 200 | V | 55.7 | Low | 51.1 | Low | 49 Ų | 49 | 106.6 Ų | 106.6 | 30% | 0.297 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -66.2 | -40.1 | 176 | 171.8 | 0 | 0 | 0 | 0 | 111.6 | W196 L202 L203 L204 | W196-V200 HydrophobicContact CD2-CG2 4.32Å; W196-V200 HydrophobicContact CG-CG2 4.47Å; W196-V200 HydrophobicContact CZ2-CG2 4.25Å; W196-V200 WeakPolarHBondContact O-CB 3.44Å; W196-V200 VanDerWaalsContact O-CG2 3.3Å; W196-V200 WeakPolarHBondContact O-CG2 3.33Å; W196-V200 PolarHBondContact O-N 2.9Å; V200-L202 VanDerWaalsContact C-N 3.31Å; V200-L202 PolarHBondContact O-N 3.35Å; V200-L203 PolarHBondContact O-N 2.96Å; V200-L204 HydrophobicContact CG1-CD1 3.61Å; V200-L204 WeakPolarHBondContact O-CB 3.34Å; V200-L204 PolarHBondContact O-N 2.68Å |
| 201 | K | 51.4 | Low | 48.7 | Very low | 141 Ų | 141 | 109 Ų | 109 | 61% | 0.613 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -63.3 | -36.8 | 171.8 | -82 | 177.7 | 178.6 | 176.4 | 0 | 112.3 | M197 N198 L203 | M197-K201 WeakPolarHBondContact O-CB 3.37Å; M197-K201 WeakPolarHBondContact O-CG 3.36Å; M197-K201 PolarHBondContact O-N 3.03Å; N198-K201 PolarHBondContact O-N 3.4Å; K201-L203 VanDerWaalsContact C-N 3.35Å |
| 202 | L | 51.1 | Low | 46.8 | Very low | 157 Ų | 157 | 111.4 Ų | 111.4 | 82% | 0.822 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -66.6 | -37.3 | 174.4 | -144.6 | 98 | 0 | 0 | 0 | 111.5 | N198 C199 V200 | N198-L202 WeakPolarHBondContact O-CB 3.32Å; N198-L202 PolarHBondContact O-N 3.32Å; C199-L202 WeakPolarHBondContact O-CB 3.39Å; C199-L202 PolarHBondContact O-N 3.43Å; V200-L202 VanDerWaalsContact C-N 3.31Å; V200-L202 PolarHBondContact O-N 3.35Å |
| 203 | L | 44.8 | Very low | 45.1 | Very low | 143 Ų | 143 | 112.4 Ų | 112.4 | 75% | 0.749 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -77.3 | -31.5 | 178.7 | -100 | 143.3 | 0 | 0 | 0 | 114 | C199 V200 K201 | C199-L203 WeakPolarHBondContact O-CB 3.38Å; C199-L203 PolarHBondContact O-N 3.41Å; V200-L203 PolarHBondContact O-N 2.96Å; K201-L203 VanDerWaalsContact C-N 3.35Å |
| 204 | L | 45.6 | Very low | 43.1 | Very low | 118 Ų | 118 | 114.8 Ų | 114.8 | 62% | 0.618 | 64% | 0.64 | S | S | * | * | S | Bend | trans | -86.9 | -0.4 | -177.7 | -105.4 | 126.5 | 0 | 0 | 0 | 115.1 | V200 L206 | V200-L204 HydrophobicContact CG1-CD1 3.61Å; V200-L204 WeakPolarHBondContact O-CB 3.34Å; V200-L204 PolarHBondContact O-N 2.68Å; L204-L206 VanDerWaalsContact C-N 3.31Å; L204-L206 PolarHBondContact O-N 2.75Å |
| 205 | G | 47.4 | Very low | 41.7 | Very low | 60 Ų | 60 | 118.9 Ų | 118.9 | 62% | 0.619 | 67% | 0.665 | S | S | * | * | trans | 44.4 | 46.2 | 162 | 0 | 0 | 0 | 0 | 0 | 115.9 | S207 | G205-S207 PolarHBondContact O-N 3.31Š| ||
| 206 | L | 37.6 | Very low | 40.5 | Very low | 155 Ų | 155 | 122.1 Ų | 122.1 | 81% | 0.812 | 68% | 0.676 | S | S | * | * | trans | -75.2 | 86.9 | 164.1 | -94 | 104.9 | 0 | 0 | 0 | 108.5 | L204 A208 | L204-L206 VanDerWaalsContact C-N 3.31Å; L204-L206 PolarHBondContact O-N 2.75Å; L206-A208 VanDerWaalsContact C-N 3.27Å; L206-A208 PolarHBondContact O-N 3.08Å | ||
| 207 | S | 36.5 | Very low | 39.3 | Very low | 111 Ų | 111 | 119.7 Ų | 119.7 | 78% | 0.776 | 68% | 0.677 | S | S | * | * | trans | -58.7 | 95.7 | 152.2 | 177.6 | 0 | 0 | 0 | 0 | 108 | G205 | G205-S207 PolarHBondContact O-N 3.31Š| ||
| 208 | A | 31.6 | Very low | 38.3 | Very low | 83 Ų | 83 | 121.6 Ų | 121.6 | 69% | 0.686 | 69% | 0.689 | S | S | * | * | trans | -107.2 | 75.5 | 154.6 | 0 | 0 | 0 | 0 | 0 | 106.9 | L206 Y210 | L206-A208 VanDerWaalsContact C-N 3.27Å; L206-A208 PolarHBondContact O-N 3.08Å; A208-Y210 VanDerWaalsContact C-N 3.29Å; A208-Y210 PolarHBondContact O-N 3.05Å | ||
| 209 | S | 31.3 | Very low | 37.2 | Very low | 97 Ų | 97 | 124.5 Ų | 124.5 | 68% | 0.678 | 71% | 0.705 | S | S | * | * | trans | -60.6 | 96.9 | 153.8 | 166.3 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 210 | Y | 25.6 | Very low | 36.7 | Very low | 217 Ų | 217 | 128.2 Ų | 128.2 | 85% | 0.851 | 73% | 0.725 | S | S | * | * | trans | -132.1 | 98.7 | 157.3 | -105.1 | -84.5 | 0 | 0 | 0 | 108 | A208 | A208-Y210 VanDerWaalsContact C-N 3.29Å; A208-Y210 PolarHBondContact O-N 3.05Å | ||
| 211 | S | 26.2 | Very low | 35.6 | Very low | 103 Ų | 103 | 130.1 Ų | 130.1 | 72% | 0.72 | 75% | 0.746 | S | S | * | * | trans | -58.3 | 148.2 | 161.3 | -48.7 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 212 | P | 31.9 | Very low | 34.5 | Very low | 118 Ų | 118 | 130.9 Ų | 130.9 | 77% | 0.766 | 76% | 0.756 | S | S | * | * | trans | -126.4 | 121.7 | 134.1 | 28.1 | -13.3 | 0 | 0 | 0 | 110.7 | ||||
| 213 | L | 28.5 | Very low | 33.3 | Very low | 158 Ų | 158 | 130.6 Ų | 130.6 | 83% | 0.827 | 76% | 0.755 | S | S | * | * | trans | 20.8 | 118.2 | 139.9 | -72.7 | 153.9 | 0 | 0 | 0 | 119.2 | ||||
| 214 | S | 27.9 | Very low | 32.5 | Very low | 95 Ų | 95 | 128.8 Ų | 128.8 | 66% | 0.664 | 75% | 0.754 | S | S | * | * | trans | 39.9 | 113.5 | 136.3 | 68 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 215 | D | 28.9 | Very low | 31.8 | Very low | 156 Ų | 156 | 129 Ų | 129 | 83% | 0.834 | 76% | 0.76 | S | S | * | * | -163.2 | 159.9 | 105.1 | -95.7 | -14.7 | 0 | 0 | 0 | 110.4 | |||||
| 216 | E | 33.4 | Very low | 30.7 | Very low | 168 Ų | 168 | 133.8 Ų | 133.8 | 79% | 0.785 | 77% | 0.771 | S | S | * | * | trans | -59.3 | 152.9 | -156.9 | -75.6 | 169.8 | 123.3 | 0 | 0 | 119.4 | ||||
| 217 | D | 32.9 | Very low | 30.2 | Very low | 132 Ų | 132 | 134.8 Ų | 134.8 | 71% | 0.706 | 77% | 0.774 | S | S | * | * | trans | 87.8 | 124.7 | 139.3 | -66.8 | -14.6 | 0 | 0 | 0 | 124.6 | ||||
| 218 | D | 33.4 | Very low | 29.8 | Very low | 138 Ų | 138 | 138.6 Ų | 138.6 | 74% | 0.738 | 78% | 0.779 | S | S | * | * | trans | 86.1 | 91.2 | 143.4 | -63.6 | -23.7 | 0 | 0 | 0 | 121.9 | ||||
| 219 | D | 34.4 | Very low | 30.1 | Very low | 154 Ų | 154 | 140.3 Ų | 140.3 | 82% | 0.824 | 78% | 0.783 | S | S | * | * | trans | 3.5 | 124.5 | 133.2 | -59.9 | -32.7 | 0 | 0 | 0 | 119 | ||||
| 220 | V | 34.2 | Very low | 29.8 | Very low | 140 Ų | 140 | 139.7 Ų | 139.7 | 85% | 0.848 | 79% | 0.792 | S | S | * | * | -154.9 | 121.9 | 122.5 | 176.1 | 0 | 0 | 0 | 0 | 109.3 | |||||
| 221 | A | 32.1 | Very low | 29.6 | Very low | 89 Ų | 89 | 134.5 Ų | 134.5 | 74% | 0.736 | 79% | 0.788 | S | S | * | * | trans | -78.4 | 137 | 168.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 222 | L | 28.7 | Very low | 29.6 | Very low | 157 Ų | 157 | 134.8 Ų | 134.8 | 82% | 0.822 | 79% | 0.789 | S | S | * | * | trans | -164.9 | 104.6 | 147.7 | -113.3 | 136.1 | 0 | 0 | 0 | 113.8 | ||||
| 223 | L | 26.4 | Very low | 29.2 | Very low | 151 Ų | 151 | 135.9 Ų | 135.9 | 79% | 0.791 | 79% | 0.788 | S | S | * | * | trans | 35.7 | 120.3 | 137.7 | -66.9 | 159.1 | 0 | 0 | 0 | 120.8 | ||||
| 224 | S | 28.4 | Very low | 29.3 | Very low | 105 Ų | 105 | 133.6 Ų | 133.6 | 73% | 0.734 | 78% | 0.781 | S | S | * | * | trans | -43.5 | 133.8 | 147.4 | 49.8 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 225 | V | 29.5 | Very low | 29.2 | Very low | 121 Ų | 121 | 136.3 Ų | 136.3 | 73% | 0.733 | 79% | 0.788 | S | S | * | * | trans | -145.7 | 108.7 | 146.5 | -179.7 | 0 | 0 | 0 | 0 | 108.5 | M227 | V225-M227 HydrophobicContact CG1-CE 4.15Š| ||
| 226 | D | 25.6 | Very low | 29.1 | Very low | 162 Ų | 162 | 133.7 Ų | 133.7 | 87% | 0.866 | 78% | 0.782 | S | S | * | * | trans | -74.5 | 137.7 | 157.1 | -73.6 | -50.6 | 0 | 0 | 0 | 109 | ||||
| 227 | M | 27.1 | Very low | 28.9 | Very low | 176 Ų | 176 | 133.1 Ų | 133.1 | 87% | 0.867 | 78% | 0.784 | S | S | * | * | trans | -151.5 | 129.2 | 155.4 | -115.7 | -171.3 | -65.1 | 0 | 0 | 111.8 | V225 | V225-M227 HydrophobicContact CG1-CE 4.15Š| ||
| 228 | E | 27.7 | Very low | 28.8 | Very low | 190 Ų | 190 | 130.6 Ų | 130.6 | 89% | 0.888 | 79% | 0.79 | S | S | * | * | trans | -67 | 176.2 | 177.8 | -106.2 | -158.9 | 134 | 0 | 0 | 114.2 | ||||
| 229 | P | 38.6 | Very low | 28.5 | Very low | 119 Ų | 119 | 128.4 Ų | 128.4 | 77% | 0.773 | 79% | 0.79 | S | S | * | * | trans | -93.6 | 160.6 | -144.8 | 37.8 | -36.2 | 0 | 0 | 0 | 115.1 | ||||
| 230 | G | 23.9 | Very low | 28.1 | Very low | 84 Ų | 84 | 128.6 Ų | 128.6 | 87% | 0.866 | 79% | 0.79 | S | S | * | * | trans | -142.8 | 145.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 231 | S | 22.3 | Very low | 28 | Very low | 108 Ų | 108 | 129.6 Ų | 129.6 | 76% | 0.755 | 79% | 0.789 | S | S | * | * | trans | -96.2 | 161.6 | -164.3 | 53.4 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 232 | C | 25.1 | Very low | 27.5 | Very low | 109 Ų | 109 | 130 Ų | 130 | 74% | 0.736 | 79% | 0.786 | S | S | * | * | trans | 69.6 | 142 | 153.5 | -68.2 | 0 | 0 | 0 | 0 | 118 | ||||
| 233 | D | 25.2 | Very low | 27.4 | Very low | 141 Ų | 141 | 129.8 Ų | 129.8 | 75% | 0.754 | 79% | 0.785 | S | S | * | * | cis | -165.2 | 157.1 | 30.1 | -104.7 | -25.7 | 0 | 0 | 0 | 114 | ||||
| 234 | T | 29.2 | Very low | 27.2 | Very low | 110 Ų | 110 | 128.5 Ų | 128.5 | 68% | 0.675 | 78% | 0.783 | S | S | * | * | trans | 30.5 | 137.5 | 147.5 | 57.2 | 0 | 0 | 0 | 0 | 128.1 | ||||
| 235 | D | 27.2 | Very low | 27.2 | Very low | 152 Ų | 152 | 129.1 Ų | 129.1 | 81% | 0.813 | 78% | 0.783 | S | S | * | * | trans | 73.5 | 114.8 | 141.2 | -59.7 | -12.9 | 0 | 0 | 0 | 123.9 | ||||
| 236 | S | 26.8 | Very low | 26.8 | Very low | 102 Ų | 102 | 130.8 Ų | 130.8 | 71% | 0.713 | 79% | 0.787 | S | S | * | * | 162.3 | 137.9 | 97 | -145.1 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 237 | D | 27.5 | Very low | 26.7 | Very low | 156 Ų | 156 | 127 Ų | 127 | 83% | 0.834 | 78% | 0.779 | S | S | * | * | trans | 60.8 | 132.8 | 151.4 | -57.9 | -40.2 | 0 | 0 | 0 | 124.4 | ||||
| 238 | G | 32.6 | Very low | 26.5 | Very low | 79 Ų | 79 | 124.3 Ų | 124.3 | 81% | 0.814 | 78% | 0.775 | S | S | * | * | trans | -90 | 156.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 239 | A | 26.3 | Very low | 26.6 | Very low | 91 Ų | 91 | 123.5 Ų | 123.5 | 75% | 0.752 | 78% | 0.776 | S | S | * | * | trans | -163.1 | 125.5 | 151.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 240 | I | 26.8 | Very low | 25.8 | Very low | 158 Ų | 158 | 122.9 Ų | 122.9 | 81% | 0.81 | 77% | 0.774 | S | S | * | * | trans | 56.5 | 112.5 | 138.4 | -50.2 | 175.4 | 0 | 0 | 0 | 118.3 | S242 | I240-S242 PolarHBondContact O-N 3.14Š| ||
| 241 | I | 30.2 | Very low | 26 | Very low | 162 Ų | 162 | 124.9 Ų | 124.9 | 83% | 0.831 | 77% | 0.771 | S | S | * | * | trans | -67.7 | 112.7 | 168.9 | -64.9 | 161.9 | 0 | 0 | 0 | 109.6 | ||||
| 242 | S | 22.6 | Very low | 26.1 | Very low | 98 Ų | 98 | 124.7 Ų | 124.7 | 69% | 0.685 | 78% | 0.777 | S | S | * | * | trans | -130.2 | 105.5 | 158.4 | 53.6 | 0 | 0 | 0 | 0 | 108.8 | I240 T244 | I240-S242 PolarHBondContact O-N 3.14Å; S242-T244 PolarHBondContact O-N 2.9Å | ||
| 243 | L | 26.7 | Very low | 26 | Very low | 151 Ų | 151 | 122.7 Ų | 122.7 | 79% | 0.791 | 77% | 0.774 | S | S | * | * | trans | -73.8 | 97.9 | 173.6 | -93.1 | 149.3 | 0 | 0 | 0 | 109.4 | V245 | L243-V245 HydrophobicContact CD2-CG2 3.98Š| ||
| 244 | T | 22 | Very low | 26.3 | Very low | 124 Ų | 124 | 125.3 Ų | 125.3 | 76% | 0.761 | 78% | 0.782 | S | S | * | * | trans | -111.2 | 102.8 | 156.3 | 37.3 | 0 | 0 | 0 | 0 | 107.3 | S242 | S242-T244 PolarHBondContact O-N 2.9Š| ||
| 245 | V | 27.9 | Very low | 26.3 | Very low | 118 Ų | 118 | 128 Ų | 128 | 72% | 0.715 | 79% | 0.787 | S | S | * | * | trans | -97.2 | 96.4 | 170.8 | 175.9 | 0 | 0 | 0 | 0 | 106.6 | L243 | L243-V245 HydrophobicContact CD2-CG2 3.98Š| ||
| 246 | D | 22.7 | Very low | 27 | Very low | 156 Ų | 156 | 127.4 Ų | 127.4 | 83% | 0.834 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -75 | 116.6 | 158.5 | -78 | -40.1 | 0 | 0 | 0 | 107.7 | ||
| 247 | A | 22.5 | Very low | 27.8 | Very low | 84 Ų | 84 | 125.7 Ų | 125.7 | 69% | 0.694 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -92.9 | 123.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||
| 248 | P | 23.6 | Very low | 29.1 | Very low | 119 Ų | 119 | 119.5 Ų | 119.5 | 77% | 0.773 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -90.8 | 127.3 | 154.5 | 16.3 | -0 | 0 | 0 | 0 | 109.5 | S250 | P248-S250 PolarHBondContact O-N 2.73Š|
| 249 | L | 29.6 | Very low | 30 | Very low | 173 Ų | 173 | 121.1 Ų | 121.1 | 91% | 0.906 | 73% | 0.727 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 128 | 163.6 | -90.5 | 81.4 | 0 | 0 | 0 | 109.9 | ||
| 250 | S | 21.2 | Very low | 31.5 | Very low | 106 Ų | 106 | 121.3 Ų | 121.3 | 74% | 0.741 | 72% | 0.719 | S | S | * | * | trans | -152.5 | 145.5 | 158.2 | -74.8 | 0 | 0 | 0 | 0 | 109 | P248 | P248-S250 PolarHBondContact O-N 2.73Š| ||
| 251 | P | 27.4 | Very low | 33.4 | Very low | 125 Ų | 125 | 115.4 Ų | 115.4 | 81% | 0.812 | 69% | 0.691 | S | S | * | * | trans | -71.1 | 153.3 | -170.1 | 30.8 | -33.5 | 0 | 0 | 0 | 111.3 | G253 | P251-G253 PolarHBondContact O-N 3.1Š| ||
| 252 | A | 25.3 | Very low | 35.3 | Very low | 105 Ų | 105 | 110.3 Ų | 110.3 | 87% | 0.868 | 67% | 0.668 | S | S | * | * | trans | -56.4 | 101.9 | -173.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 253 | G | 23.6 | Very low | 37.9 | Very low | 66 Ų | 66 | 110.7 Ų | 110.7 | 68% | 0.68 | 66% | 0.662 | S | S | * | * | trans | -69 | 125.5 | 162.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | P251 H255 | P251-G253 PolarHBondContact O-N 3.1Å; G253-H255 PolarHBondContact O-N 3.37Å | ||
| 254 | Q | 30.3 | Very low | 40.3 | Very low | 197 Ų | 197 | 106 Ų | 106 | 92% | 0.921 | 64% | 0.637 | S | S | * | * | trans | -55.4 | 97.2 | 172.7 | -84.4 | 158.7 | -54.8 | 0 | 0 | 111.4 | ||||
| 255 | H | 29.8 | Very low | 43.1 | Very low | 167 Ų | 167 | 102.6 Ų | 102.6 | 77% | 0.773 | 61% | 0.613 | S | S | * | * | trans | -113.6 | 99.3 | 159.6 | -98.2 | -66.3 | 0 | 0 | 0 | 110 | G253 M257 | G253-H255 PolarHBondContact O-N 3.37Å; H255-M257 PolarHBondContact O-N 2.85Å | ||
| 256 | Q | 41.1 | Very low | 45.8 | Very low | 139 Ų | 139 | 105 Ų | 105 | 65% | 0.65 | 61% | 0.61 | S | S | * | * | trans | 39 | 63.8 | 156.2 | -71.9 | 178.8 | -29.6 | 0 | 0 | 118 | H194 | H194-Q256 PolarHBondContact NE2-NE2 2.99Å; H194-Q256 VanDerWaalsContact NE2-NE2 3.14Å; H194-Q256 PolarHBondContact NE2-OE1 3.38Å | ||
| 257 | M | 43.8 | Very low | 48.7 | Very low | 66 Ų | 66 | 99.9 Ų | 99.9 | 33% | 0.325 | 59% | 0.585 | S | S | . | * | trans | -87.9 | 133.5 | 148.3 | -76.7 | -94.6 | 176 | 0 | 0 | 107.8 | Q112 H255 V259 T262 | Q112-M257 HydrophobicContact CG-CE 4.08Å; H255-M257 PolarHBondContact O-N 2.85Å; M257-V259 PolarHBondContact O-N 3.46Å; M257-T262 HydrophobicContact CB-CG2 3.46Å; M257-T262 VanDerWaalsContact CB-CG2 3.46Å | ||
| 258 | G | 54.4 | Low | 51.6 | Low | 25 Ų | 25 | 96.2 Ų | 96.2 | 26% | 0.258 | 55% | 0.554 | S | S | . | * | trans | -55.1 | 138.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | V260 S261 T262 | G258-V260 PolarHBondContact O-N 3.16Å; G258-S261 WeakPolarHBondContact O-CB 3.27Å; G258-S261 PolarHBondContact O-N 3.29Å; G258-T262 PolarHBondContact O-N 2.91Å | ||
| 259 | V | 52.6 | Low | 54.5 | Low | 114 Ų | 114 | 94 Ų | 94 | 69% | 0.691 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -50.8 | -33.8 | -172.1 | -179.6 | 0 | 0 | 0 | 0 | 113.6 | M257 T262 N263 | M257-V259 PolarHBondContact O-N 3.46Å; V259-T262 PolarHBondContact O-OG1 2.99Å; V259-T262 VanDerWaalsContact O-OG1 3.06Å; V259-N263 PolarHBondContact O-ND2 3.27Å |
| 260 | V | 58.3 | Low | 57.1 | Low | 95 Ų | 95 | 89.7 Ų | 89.7 | 58% | 0.576 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -72.3 | -39 | 178 | 178.7 | 0 | 0 | 0 | 0 | 111.9 | G258 L264 | G258-V260 PolarHBondContact O-N 3.16Å; V260-L264 WeakPolarHBondContact O-CB 3.49Å; V260-L264 PolarHBondContact O-N 3.42Å; V260-L264 VanDerWaalsContact O-N 3.13Å |
| 261 | S | 66.5 | Low | 60 | Low | 34 Ų | 34 | 90.2 Ų | 90.2 | 24% | 0.238 | 50% | 0.501 | C | S | . | . | H | α-helix | trans | -69.2 | -37.7 | -178.1 | -173.1 | 0 | 0 | 0 | 0 | 111.9 | G258 Q265 | G258-S261 WeakPolarHBondContact O-CB 3.27Å; G258-S261 PolarHBondContact O-N 3.29Å; S261-Q265 WeakPolarHBondContact O-CB 3.22Å; S261-Q265 PolarHBondContact O-N 3.41Å |
| 262 | T | 70.2 | Confident | 62.6 | Low | 54 Ų | 54 | 86.6 Ų | 86.6 | 33% | 0.331 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -69.5 | -42.5 | -178.7 | 52.6 | 0 | 0 | 0 | 0 | 112 | M257 G258 V259 Q265 W266 | M257-T262 HydrophobicContact CB-CG2 3.46Å; M257-T262 VanDerWaalsContact CB-CG2 3.46Å; G258-T262 PolarHBondContact O-N 2.91Å; V259-T262 PolarHBondContact O-OG1 2.99Å; V259-T262 VanDerWaalsContact O-OG1 3.06Å; T262-Q265 PolarHBondContact O-N 3.37Å; T262-W266 WeakPolarHBondContact O-CB 3.34Å; T262-W266 PolarHBondContact O-N 2.94Å |
| 263 | N | 77.4 | Confident | 65.3 | Low | 107 Ų | 107 | 81.6 Ų | 81.6 | 57% | 0.572 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -66.4 | -41.3 | 176.3 | -70.9 | -16.5 | 0 | 0 | 0 | 111.6 | V259 W266 C267 | V259-N263 PolarHBondContact O-ND2 3.27Å; N263-W266 PolarHBondContact O-N 2.95Å; N263-C267 VanDerWaalsContact O-CB 3.31Å; N263-C267 WeakPolarHBondContact O-CB 3.48Å; N263-C267 PolarHBondContact O-N 3.25Å |
| 264 | L | 77 | Confident | 68.3 | Low | 51 Ų | 51 | 81.8 Ų | 81.8 | 27% | 0.267 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -66 | -41 | 177.1 | -175 | 59.3 | 0 | 0 | 0 | 111.7 | V260 C267 L268 V851 V854 | V260-L264 WeakPolarHBondContact O-CB 3.49Å; V260-L264 PolarHBondContact O-N 3.42Å; V260-L264 VanDerWaalsContact O-N 3.13Å; L264-C267 PolarHBondContact O-N 3.19Å; L264-L268 HydrophobicContact CD1-CD1 4.36Å; L264-L268 HydrophobicContact CG-CD1 3.99Å; L264-L268 WeakPolarHBondContact O-CB 3.33Å; L264-L268 WeakPolarHBondContact O-CG 3.35Å; L264-L268 PolarHBondContact O-N 3.26Å; L264-V851 HydrophobicContact CD2-CG1 4.22Å; L264-V854 HydrophobicContact CD1-CG1 4.3Å; L264-V854 HydrophobicContact CD2-CB 4.43Å; L264-V854 HydrophobicContact CD2-CG1 4.23Å |
| 265 | Q | 80.4 | Confident | 71 | Confident | 53 Ų | 53 | 74.9 Ų | 74.9 | 25% | 0.248 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -62.7 | -44.3 | 176.2 | -173.1 | 177.4 | -2.8 | 0 | 0 | 111.9 | S261 T262 L268 K269 N847 V851 | S261-Q265 WeakPolarHBondContact O-CB 3.22Å; S261-Q265 PolarHBondContact O-N 3.41Å; T262-Q265 PolarHBondContact O-N 3.37Å; Q265-L268 PolarHBondContact O-N 3.15Å; Q265-K269 WeakPolarHBondContact O-CB 3.14Å; Q265-K269 PolarHBondContact O-N 3.39Å; Q265-N847 WeakPolarHBondContact CG-OD1 3.5Å; Q265-N847 PolarHBondContact NE2-OD1 3.13Å; Q265-V851 HydrophobicContact CB-CG2 3.85Å; Q265-V851 HydrophobicContact CG-CG2 4.28Å |
| 266 | W | 83.1 | Confident | 73.7 | Confident | 170 Ų | 170 | 67.2 Ų | 67.2 | 64% | 0.644 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -61.3 | -46 | 175.6 | -176.6 | 89.3 | 0 | 0 | 0 | 111.8 | T262 N263 K269 H270 | T262-W266 WeakPolarHBondContact O-CB 3.34Å; T262-W266 PolarHBondContact O-N 2.94Å; N263-W266 PolarHBondContact O-N 2.95Å; W266-K269 PolarHBondContact O-N 2.98Å; W266-H270 AromaticContact CD1-CD2 3.98Å; W266-H270 AromaticContact CE2-CD2 3.67Å; W266-H270 AromaticContact NE1-CD2 3.47Å; W266-H270 PolarHBondContact NE1-CD2 2.91Å; W266-H270 AromaticContact NE1-NE2 3.94Å; W266-H270 PolarHBondContact O-N 3.3Å; W266-H270 VanDerWaalsContact O-N 3.09Å |
| 267 | C | 84 | Confident | 75.8 | Confident | 47 Ų | 47 | 61.2 Ų | 61.2 | 32% | 0.318 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -58.9 | -51.2 | 176 | 177.8 | 0 | 0 | 0 | 0 | 111.6 | N263 L264 K269 H270 L271 | N263-C267 VanDerWaalsContact O-CB 3.31Å; N263-C267 WeakPolarHBondContact O-CB 3.48Å; N263-C267 PolarHBondContact O-N 3.25Å; L264-C267 PolarHBondContact O-N 3.19Å; C267-K269 VanDerWaalsContact C-N 3.32Å; C267-K269 PolarHBondContact O-N 3.49Å; C267-H270 PolarHBondContact O-N 2.82Å; C267-L271 HydrophobicContact CB-CD1 4.44Å; C267-L271 VanDerWaalsContact O-CB 3.25Å; C267-L271 WeakPolarHBondContact O-CB 3.13Å; C267-L271 PolarHBondContact O-N 2.92Å; C267-L271 WeakPolarHBondContact SG-CD1 3.31Å |
| 268 | L | 84.9 | Confident | 77.9 | Confident | 7 Ų | 7 | 65.8 Ų | 65.8 | 4% | 0.037 | 35% | 0.347 | C | S | . | . | I | π-helix | trans | -56.8 | -44.4 | 178.2 | -89.1 | 159.5 | 0 | 0 | 0 | 112.5 | L264 Q265 V272 A273 V851 V854 L894 | L264-L268 HydrophobicContact CD1-CD1 4.36Å; L264-L268 HydrophobicContact CG-CD1 3.99Å; L264-L268 WeakPolarHBondContact O-CB 3.33Å; L264-L268 WeakPolarHBondContact O-CG 3.35Å; L264-L268 PolarHBondContact O-N 3.26Å; Q265-L268 PolarHBondContact O-N 3.15Å; L268-V272 WeakPolarHBondContact O-CB 3.37Å; L268-V272 PolarHBondContact O-N 3.42Å; L268-A273 PolarHBondContact O-N 3.12Å; L268-V851 HydrophobicContact CD1-CG2 3.97Å; L268-V854 HydrophobicContact CD1-CG2 3.95Å; L268-V854 HydrophobicContact CD2-CG2 3.75Å; L268-V854 HydrophobicContact CG-CG2 4.24Å; L268-L894 HydrophobicContact CD2-CD1 3.94Å; L268-L894 HydrophobicContact CD2-CD2 4.28Å |
| 269 | K | 83.4 | Confident | 79.6 | Confident | 74 Ų | 74 | 69.7 Ų | 69.7 | 32% | 0.322 | 36% | 0.358 | S | S | . | . | I | π-helix | trans | -64.9 | -54 | -178.6 | -174.8 | 179.3 | 175.9 | -177.7 | 0 | 111.8 | Q265 W266 C267 E274 L843 | Q265-K269 WeakPolarHBondContact O-CB 3.14Å; Q265-K269 PolarHBondContact O-N 3.39Å; W266-K269 PolarHBondContact O-N 2.98Å; C267-K269 VanDerWaalsContact C-N 3.32Å; C267-K269 PolarHBondContact O-N 3.49Å; K269-E274 WeakPolarHBondContact O-CG 3.37Å; K269-E274 PolarHBondContact O-N 3.21Å; K269-L843 HydrophobicContact CG-CD1 4.43Å |
| 270 | H | 83.9 | Confident | 81.3 | Confident | 82 Ų | 82 | 67.1 Ų | 67.1 | 38% | 0.38 | 34% | 0.336 | S | S | . | . | I | π-helix | trans | -82.3 | -38 | -173 | -84.9 | -56.7 | 0 | 0 | 0 | 114.3 | W266 C267 E274 P275 | W266-H270 AromaticContact CD1-CD2 3.98Å; W266-H270 AromaticContact CE2-CD2 3.67Å; W266-H270 AromaticContact NE1-CD2 3.47Å; W266-H270 PolarHBondContact NE1-CD2 2.91Å; W266-H270 AromaticContact NE1-NE2 3.94Å; W266-H270 PolarHBondContact O-N 3.3Å; W266-H270 VanDerWaalsContact O-N 3.09Å; C267-H270 PolarHBondContact O-N 2.82Å; H270-E274 IonicContact CE1-OE1 3.48Å; H270-E274 PolarHBondContact CE1-OE1 3.3Å; H270-E274 IonicContact CE1-OE2 3.53Å; H270-E274 IonicContact CG-OE2 3.87Å; H270-E274 IonicContact ND1-OE1 3.39Å; H270-E274 PolarHBondContact ND1-OE1 3.11Å; H270-E274 IonicContact ND1-OE2 2.81Å; H270-E274 PolarHBondContact ND1-OE2 3.16Å; H270-P275 WeakPolarHBondContact O-CD 3.38Å |
| 271 | L | 82 | Confident | 82.9 | Confident | 117 Ų | 117 | 70.8 Ų | 70.8 | 61% | 0.613 | 34% | 0.344 | S | S | * | . | I | π-helix | trans | -87.5 | -25.4 | -175.6 | -69.9 | 164.3 | 0 | 0 | 0 | 113.3 | C267 | C267-L271 HydrophobicContact CB-CD1 4.44Å; C267-L271 VanDerWaalsContact O-CB 3.25Å; C267-L271 WeakPolarHBondContact O-CB 3.13Å; C267-L271 PolarHBondContact O-N 2.92Å; C267-L271 WeakPolarHBondContact SG-CD1 3.31Å |
| 272 | V | 82.9 | Confident | 84.1 | Confident | 48 Ų | 48 | 73.7 Ų | 73.7 | 29% | 0.291 | 36% | 0.36 | S | S | . | . | I | π-helix | trans | -119.1 | -57.2 | -172.1 | -172.2 | 0 | 0 | 0 | 0 | 112.2 | L268 A276 L894 | L268-V272 WeakPolarHBondContact O-CB 3.37Å; L268-V272 PolarHBondContact O-N 3.42Å; V272-A276 WeakPolarHBondContact O-CB 3.39Å; V272-A276 PolarHBondContact O-N 3.04Å; V272-A276 VanDerWaalsContact O-N 3.11Å; V272-L894 HydrophobicContact CG1-CB 3.77Å; V272-L894 HydrophobicContact CG1-CD1 4.43Å |
| 273 | A | 81.5 | Confident | 85.1 | Confident | 1 Ų | 1 | 72.8 Ų | 72.8 | 1% | 0.008 | 36% | 0.355 | C | S | . | . | I | π-helix | trans | -69 | -48.3 | -171.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | L268 A276 V277 L843 V846 | L268-A273 PolarHBondContact O-N 3.12Å; A273-A276 PolarHBondContact O-N 3.43Å; A273-V277 VanDerWaalsContact O-CG2 3.29Å; A273-V277 WeakPolarHBondContact O-CG2 3.44Å; A273-V277 PolarHBondContact O-N 2.95Å; A273-V277 VanDerWaalsContact O-N 3.07Å; A273-L843 HydrophobicContact CB-CD1 3.64Å; A273-V846 HydrophobicContact CB-CB 4.07Å; A273-V846 HydrophobicContact CB-CG1 3.69Å |
| 274 | E | 86.4 | Confident | 85.7 | Confident | 70 Ų | 70 | 69.4 Ų | 69.4 | 33% | 0.327 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -61.8 | -48.8 | 179.6 | -79.1 | 175 | -173.6 | 0 | 0 | 112.9 | K269 H270 A276 V277 K278 L843 | K269-E274 WeakPolarHBondContact O-CG 3.37Å; K269-E274 PolarHBondContact O-N 3.21Å; H270-E274 IonicContact CE1-OE1 3.48Å; H270-E274 PolarHBondContact CE1-OE1 3.3Å; H270-E274 IonicContact CE1-OE2 3.53Å; H270-E274 IonicContact CG-OE2 3.87Å; H270-E274 IonicContact ND1-OE1 3.39Å; H270-E274 PolarHBondContact ND1-OE1 3.11Å; H270-E274 IonicContact ND1-OE2 2.81Å; H270-E274 PolarHBondContact ND1-OE2 3.16Å; E274-A276 PolarHBondContact O-N 2.85Å; E274-V277 PolarHBondContact O-N 3.32Å; E274-K278 WeakPolarHBondContact O-CB 3.38Å; E274-K278 PolarHBondContact O-N 2.85Å; E274-L843 HydrophobicContact CG-CD1 4.14Å |
| 275 | P | 88.2 | Confident | 86.4 | Confident | 52 Ų | 52 | 68.9 Ų | 68.9 | 34% | 0.338 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -61.9 | -42.2 | 175.3 | -26.2 | 36.4 | 0 | 0 | 0 | 113.3 | H270 V277 K278 H279 | H270-P275 WeakPolarHBondContact O-CD 3.38Å; P275-V277 VanDerWaalsContact C-N 3.32Å; P275-V277 PolarHBondContact O-N 3.32Å; P275-K278 PolarHBondContact O-N 3Å; P275-H279 WeakPolarHBondContact O-CB 3.36Å; P275-H279 PolarHBondContact O-N 3.21Å |
| 276 | A | 85.5 | Confident | 87 | Confident | 6 Ų | 6 | 70.4 Ų | 70.4 | 5% | 0.05 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -62.2 | -39.2 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | V272 A273 E274 R280 | V272-A276 WeakPolarHBondContact O-CB 3.39Å; V272-A276 PolarHBondContact O-N 3.04Å; V272-A276 VanDerWaalsContact O-N 3.11Å; A273-A276 PolarHBondContact O-N 3.43Å; E274-A276 PolarHBondContact O-N 2.85Å; A276-R280 WeakPolarHBondContact O-CA 3.39Å; A276-R280 WeakPolarHBondContact O-CB 3.13Å; A276-R280 PolarHBondContact O-N 3.45Å |
| 277 | V | 86 | Confident | 87.5 | Confident | 12 Ų | 12 | 62.9 Ų | 62.9 | 7% | 0.073 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -79.1 | -41.3 | 179.8 | 177.3 | 0 | 0 | 0 | 0 | 111.9 | A273 E274 P275 R280 Q839 T842 A902 | A273-V277 VanDerWaalsContact O-CG2 3.29Å; A273-V277 WeakPolarHBondContact O-CG2 3.44Å; A273-V277 PolarHBondContact O-N 2.95Å; A273-V277 VanDerWaalsContact O-N 3.07Å; E274-V277 PolarHBondContact O-N 3.32Å; P275-V277 VanDerWaalsContact C-N 3.32Å; P275-V277 PolarHBondContact O-N 3.32Å; V277-R280 PolarHBondContact O-NH1 2.83Å; V277-Q839 HydrophobicContact CG1-CB 3.65Å; V277-Q839 HydrophobicContact CG1-CG 3.59Å; V277-T842 HydrophobicContact CG2-CG2 4.04Å; V277-A902 HydrophobicContact CG1-CB 4.27Å |
| 278 | K | 88.2 | Confident | 87.8 | Confident | 163 Ų | 163 | 65.6 Ų | 65.6 | 71% | 0.709 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -69.3 | -45.1 | -178.8 | -170 | 177.6 | -176.5 | 179.7 | 0 | 112.1 | E274 P275 | E274-K278 WeakPolarHBondContact O-CB 3.38Å; E274-K278 PolarHBondContact O-N 2.85Å; P275-K278 PolarHBondContact O-N 3Å |
| 279 | H | 89.1 | Confident | 88.2 | Confident | 106 Ų | 106 | 71.3 Ų | 71.3 | 49% | 0.491 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.5 | 27 | -178.7 | -62.8 | -75.8 | 0 | 0 | 0 | 113.4 | P275 K281 V282 V283 | P275-H279 WeakPolarHBondContact O-CB 3.36Å; P275-H279 PolarHBondContact O-N 3.21Å; H279-K281 VanDerWaalsContact C-N 3.28Å; H279-K281 PolarHBondContact O-N 3.17Å; H279-V282 WeakPolarHBondContact O-CB 3.35Å; H279-V282 PolarHBondContact O-N 3.28Å; H279-V283 PolarHBondContact O-N 3.4Å; H279-V283 VanDerWaalsContact O-N 3.13Å |
| 280 | R | 88.8 | Confident | 88.7 | Confident | 61 Ų | 61 | 69.9 Ų | 69.9 | 23% | 0.23 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -49.1 | -38.4 | -174.5 | 66.9 | -169.3 | -179.6 | -91 | 1.4 | 115.7 | A276 V277 V282 V283 L284 A899 C903 | A276-R280 WeakPolarHBondContact O-CA 3.39Å; A276-R280 WeakPolarHBondContact O-CB 3.13Å; A276-R280 PolarHBondContact O-N 3.45Å; V277-R280 PolarHBondContact O-NH1 2.83Å; R280-V282 VanDerWaalsContact C-N 3.35Å; R280-V282 PolarHBondContact O-N 3.34Å; R280-V283 PolarHBondContact O-N 2.92Å; R280-L284 WeakPolarHBondContact O-CB 3.37Å; R280-L284 VanDerWaalsContact O-CG 3.27Å; R280-L284 WeakPolarHBondContact O-CG 3.16Å; R280-L284 PolarHBondContact O-N 3.41Å; R280-A899 HydrophobicContact CB-CB 4.01Å; R280-C903 VanDerWaalsContact CD-SG 3.5Å |
| 281 | K | 90.4 | Very high | 89 | Confident | 171 Ų | 171 | 67.9 Ų | 67.9 | 74% | 0.743 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -66.1 | -37.6 | 178.8 | -66.1 | -171.7 | -178.7 | -178.7 | 0 | 112.1 | H279 G285 | H279-K281 VanDerWaalsContact C-N 3.28Å; H279-K281 PolarHBondContact O-N 3.17Å; K281-G285 PolarHBondContact O-N 3.42Å |
| 282 | V | 93.1 | Very high | 89.5 | Confident | 95 Ų | 95 | 67.2 Ų | 67.2 | 58% | 0.576 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -69.4 | -45 | 177 | -179.3 | 0 | 0 | 0 | 0 | 109.6 | H279 R280 L284 G285 V286 | H279-V282 WeakPolarHBondContact O-CB 3.35Å; H279-V282 PolarHBondContact O-N 3.28Å; R280-V282 VanDerWaalsContact C-N 3.35Å; R280-V282 PolarHBondContact O-N 3.34Å; V282-L284 VanDerWaalsContact C-N 3.34Å; V282-L284 PolarHBondContact O-N 3.35Å; V282-G285 PolarHBondContact O-N 3.26Å; V282-G285 VanDerWaalsContact O-N 3.16Å; V282-V286 HydrophobicContact CG1-CG2 4.49Å; V282-V286 WeakPolarHBondContact O-CG2 3.46Å; V282-V286 PolarHBondContact O-N 2.96Å |
| 283 | V | 91.3 | Very high | 90 | Very high | 35 Ų | 35 | 69.9 Ų | 69.9 | 21% | 0.212 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -57.7 | -46.1 | 176.6 | 177.6 | 0 | 0 | 0 | 0 | 111.2 | H279 R280 V286 F287 A899 | H279-V283 PolarHBondContact O-N 3.4Å; H279-V283 VanDerWaalsContact O-N 3.13Å; R280-V283 PolarHBondContact O-N 2.92Å; V283-V286 PolarHBondContact O-N 3.49Å; V283-F287 WeakPolarHBondContact O-CB 3.45Å; V283-F287 PolarHBondContact O-N 3Å; V283-A899 HydrophobicContact CB-CB 4.4Å; V283-A899 HydrophobicContact CG1-CB 4.16Å |
| 284 | L | 90.5 | Very high | 90.5 | Very high | 36 Ų | 36 | 70 Ų | 70 | 19% | 0.188 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -65.9 | -36.7 | 177 | -68.7 | 173.8 | 0 | 0 | 0 | 112.8 | R280 V282 F287 L288 A899 L900 | R280-L284 WeakPolarHBondContact O-CB 3.37Å; R280-L284 VanDerWaalsContact O-CG 3.27Å; R280-L284 WeakPolarHBondContact O-CG 3.16Å; R280-L284 PolarHBondContact O-N 3.41Å; V282-L284 VanDerWaalsContact C-N 3.34Å; V282-L284 PolarHBondContact O-N 3.35Å; L284-F287 PolarHBondContact O-N 2.96Å; L284-L288 WeakPolarHBondContact O-CG 3.16Å; L284-L288 PolarHBondContact O-N 3.37Å; L284-A899 HydrophobicContact CD2-CB 4.41Å; L284-A899 HydrophobicContact CG-CB 4.39Å; L284-L900 HydrophobicContact CD2-CD2 3.49Å; L284-L900 VanDerWaalsContact CD2-CD2 3.49Å; L284-L900 HydrophobicContact CD2-CG 3.75Å |
| 285 | G | 91.6 | Very high | 90.6 | Very high | 41 Ų | 41 | 68.4 Ų | 68.4 | 42% | 0.423 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -64.2 | -44.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | K281 V282 L288 L289 | K281-G285 PolarHBondContact O-N 3.42Å; V282-G285 PolarHBondContact O-N 3.26Å; V282-G285 VanDerWaalsContact O-N 3.16Å; G285-L288 PolarHBondContact O-N 3.46Å; G285-L289 PolarHBondContact O-N 3.3Å; G285-L289 VanDerWaalsContact O-N 3.12Å |
| 286 | V | 92.8 | Very high | 90.7 | Very high | 85 Ų | 85 | 67.8 Ų | 67.8 | 52% | 0.515 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -63.4 | -43.8 | 174.7 | 173.8 | 0 | 0 | 0 | 0 | 110.7 | V282 V283 L288 L289 V290 | V282-V286 HydrophobicContact CG1-CG2 4.49Å; V282-V286 WeakPolarHBondContact O-CG2 3.46Å; V282-V286 PolarHBondContact O-N 2.96Å; V283-V286 PolarHBondContact O-N 3.49Å; V286-L288 PolarHBondContact O-N 2.87Å; V286-L289 PolarHBondContact O-N 3.47Å; V286-V290 HydrophobicContact CG1-CG2 4.35Å; V286-V290 WeakPolarHBondContact O-CG2 3.32Å; V286-V290 PolarHBondContact O-N 3.08Å |
| 287 | F | 92.2 | Very high | 90.9 | Very high | 12 Ų | 12 | 67.9 Ų | 67.9 | 5% | 0.053 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -59.1 | -46.8 | 176.8 | 169.1 | -103.3 | 0 | 0 | 0 | 112.4 | V283 L284 L289 V290 L291 I771 F892 V896 | V283-F287 WeakPolarHBondContact O-CB 3.45Å; V283-F287 PolarHBondContact O-N 3Å; L284-F287 PolarHBondContact O-N 2.96Å; F287-L289 VanDerWaalsContact C-N 3.3Å; F287-L289 PolarHBondContact O-N 3.27Å; F287-V290 PolarHBondContact O-N 3.46Å; F287-L291 HydrophobicContact CE1-CD1 3.93Å; F287-L291 HydrophobicContact CE2-CD1 4.25Å; F287-L291 HydrophobicContact CZ-CD1 3.56Å; F287-L291 VanDerWaalsContact O-CB 3.32Å; F287-L291 WeakPolarHBondContact O-CB 3.36Å; F287-L291 PolarHBondContact O-N 2.95Å; F287-I771 HydrophobicContact CE1-CG2 3.52Å; F287-I771 HydrophobicContact CZ-CG2 3.67Å; F287-F892 HydrophobicContact CD2-CD2 4.24Å; F287-F892 AromaticContact CD2-CE2 3.8Å; F287-F892 HydrophobicContact CD2-CE2 3.8Å; F287-F892 HydrophobicContact CD2-CZ 4.25Å; F287-F892 AromaticContact CE2-CD2 3.8Å; F287-F892 HydrophobicContact CE2-CD2 3.8Å; F287-F892 AromaticContact CE2-CE2 3.46Å; F287-F892 HydrophobicContact CE2-CE2 3.46Å; F287-F892 VanDerWaalsContact CE2-CE2 3.46Å; F287-F892 HydrophobicContact CE2-CZ 4.32Å; F287-V896 HydrophobicContact CB-CG1 4.42Å; F287-V896 HydrophobicContact CB-CG2 4.01Å; F287-V896 HydrophobicContact CD1-CG1 4.02Å; F287-V896 HydrophobicContact CD2-CB 4.26Å; F287-V896 HydrophobicContact CD2-CG1 3.74Å; F287-V896 HydrophobicContact CD2-CG2 3.53Å; F287-V896 HydrophobicContact CE1-CG1 4.19Å; F287-V896 HydrophobicContact CE2-CG1 3.89Å; F287-V896 HydrophobicContact CE2-CG2 4.23Å; F287-V896 HydrophobicContact CG-CG1 3.78Å; F287-V896 HydrophobicContact CG-CG2 3.92Å; F287-V896 HydrophobicContact CZ-CG1 4.12Å |
| 288 | L | 91.4 | Very high | 90.9 | Very high | 104 Ų | 104 | 69 Ų | 69 | 55% | 0.545 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -61.2 | -39.7 | 177.2 | -79.1 | 169.4 | 0 | 0 | 0 | 111.9 | L284 G285 V286 L291 V292 | L284-L288 WeakPolarHBondContact O-CG 3.16Å; L284-L288 PolarHBondContact O-N 3.37Å; G285-L288 PolarHBondContact O-N 3.46Å; V286-L288 PolarHBondContact O-N 2.87Å; L288-L291 PolarHBondContact O-N 2.87Å; L288-V292 VanDerWaalsContact O-CG2 3.31Å; L288-V292 WeakPolarHBondContact O-CG2 3.36Å; L288-V292 PolarHBondContact O-N 3.21Å |
| 289 | L | 93.5 | Very high | 90.8 | Very high | 126 Ų | 126 | 66.8 Ų | 66.8 | 66% | 0.66 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -63.8 | -44.9 | 175.9 | -173.3 | 149.3 | 0 | 0 | 0 | 111.6 | G285 V286 F287 L291 V292 F293 | G285-L289 PolarHBondContact O-N 3.3Å; G285-L289 VanDerWaalsContact O-N 3.12Å; V286-L289 PolarHBondContact O-N 3.47Å; F287-L289 VanDerWaalsContact C-N 3.3Å; F287-L289 PolarHBondContact O-N 3.27Å; L289-L291 VanDerWaalsContact C-N 3.32Å; L289-L291 PolarHBondContact O-N 3.36Å; L289-V292 PolarHBondContact O-N 2.75Å; L289-F293 WeakPolarHBondContact O-CB 3.39Å; L289-F293 PolarHBondContact O-N 3.35Å |
| 290 | V | 92.9 | Very high | 90.6 | Very high | 44 Ų | 44 | 66.6 Ų | 66.6 | 27% | 0.267 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -63.2 | -38.9 | 175.3 | 172 | 0 | 0 | 0 | 0 | 111.2 | V286 F287 F293 S294 L779 F892 | V286-V290 HydrophobicContact CG1-CG2 4.35Å; V286-V290 WeakPolarHBondContact O-CG2 3.32Å; V286-V290 PolarHBondContact O-N 3.08Å; F287-V290 PolarHBondContact O-N 3.46Å; V290-F293 PolarHBondContact O-N 3.36Å; V290-S294 VanDerWaalsContact O-CB 3.28Å; V290-S294 WeakPolarHBondContact O-CB 3.3Å; V290-S294 PolarHBondContact O-N 2.87Å; V290-S294 PolarHBondContact O-OG 3.33Å; V290-L779 HydrophobicContact CG1-CD1 4.16Å; V290-L779 HydrophobicContact CG1-CD2 4.45Å; V290-F892 HydrophobicContact CG1-CZ 4.34Å |
| 291 | L | 91.3 | Very high | 90.2 | Very high | 41 Ų | 41 | 65.4 Ų | 65.4 | 22% | 0.215 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -67.6 | -43.8 | 178.8 | -170.3 | 142.5 | 0 | 0 | 0 | 111.7 | F287 L288 L289 S294 A295 | F287-L291 HydrophobicContact CE1-CD1 3.93Å; F287-L291 HydrophobicContact CE2-CD1 4.25Å; F287-L291 HydrophobicContact CZ-CD1 3.56Å; F287-L291 VanDerWaalsContact O-CB 3.32Å; F287-L291 WeakPolarHBondContact O-CB 3.36Å; F287-L291 PolarHBondContact O-N 2.95Å; L288-L291 PolarHBondContact O-N 2.87Å; L289-L291 VanDerWaalsContact C-N 3.32Å; L289-L291 PolarHBondContact O-N 3.36Å; L291-S294 WeakPolarHBondContact CA-OG 3.37Å; L291-S294 PolarHBondContact O-N 2.88Å; L291-S294 PolarHBondContact O-OG 2.72Å; L291-A295 VanDerWaalsContact O-CB 3.27Å; L291-A295 WeakPolarHBondContact O-CB 3.28Å; L291-A295 PolarHBondContact O-N 3.36Å |
| 292 | V | 91.9 | Very high | 89.6 | Confident | 103 Ų | 103 | 66.2 Ų | 66.2 | 62% | 0.624 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -64.5 | -43.6 | 175.6 | 171.3 | 0 | 0 | 0 | 0 | 110.9 | L288 L289 G296 | L288-V292 VanDerWaalsContact O-CG2 3.31Å; L288-V292 WeakPolarHBondContact O-CG2 3.36Å; L288-V292 PolarHBondContact O-N 3.21Å; L289-V292 PolarHBondContact O-N 2.75Å; V292-G296 PolarHBondContact O-N 3.06Å |
| 293 | F | 92.5 | Very high | 88.6 | Confident | 104 Ų | 104 | 65.2 Ų | 65.2 | 46% | 0.456 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -62.1 | -47.7 | 176.8 | 179.4 | -87.1 | 0 | 0 | 0 | 111.8 | L289 V290 G296 C297 W786 | L289-F293 WeakPolarHBondContact O-CB 3.39Å; L289-F293 PolarHBondContact O-N 3.35Å; V290-F293 PolarHBondContact O-N 3.36Å; F293-G296 PolarHBondContact O-N 3.42Å; F293-C297 WeakPolarHBondContact CE1-SG 3.29Å; F293-C297 PolarHBondContact O-N 3.26Å; F293-W786 HydrophobicContact CD1-CH2 4.49Å; F293-W786 HydrophobicContact CD1-CZ2 4.18Å; F293-W786 AromaticContact CE1-CE2 3.8Å; F293-W786 AromaticContact CE1-CH2 3.81Å; F293-W786 HydrophobicContact CE1-CH2 3.81Å; F293-W786 AromaticContact CE1-CZ2 3.13Å; F293-W786 HydrophobicContact CE1-CZ2 3.13Å; F293-W786 AromaticContact CZ-CZ2 3.56Å; F293-W786 HydrophobicContact CZ-CZ2 3.56Å |
| 294 | S | 92.9 | Very high | 87.5 | Confident | 2 Ų | 2 | 64.4 Ų | 64.4 | 1% | 0.014 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -65.5 | -39.2 | 179.3 | 54.3 | 0 | 0 | 0 | 0 | 112.6 | V290 L291 G296 C297 C298 | V290-S294 VanDerWaalsContact O-CB 3.28Å; V290-S294 WeakPolarHBondContact O-CB 3.3Å; V290-S294 PolarHBondContact O-N 2.87Å; V290-S294 PolarHBondContact O-OG 3.33Å; L291-S294 WeakPolarHBondContact CA-OG 3.37Å; L291-S294 PolarHBondContact O-N 2.88Å; L291-S294 PolarHBondContact O-OG 2.72Å; S294-G296 VanDerWaalsContact C-N 3.3Å; S294-G296 PolarHBondContact O-N 3.34Å; S294-C297 WeakPolarHBondContact O-CB 3.34Å; S294-C297 PolarHBondContact O-N 3.13Å; S294-C297 VanDerWaalsContact O-N 3.16Å; S294-C298 PolarHBondContact O-N 3.09Å; S294-C298 PolarHBondContact O-SG 2.74Å |
| 295 | A | 89.4 | Confident | 86.1 | Confident | 38 Ų | 38 | 65.4 Ų | 65.4 | 31% | 0.314 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -60.4 | -40.2 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | L291 C297 C298 C299 | L291-A295 VanDerWaalsContact O-CB 3.27Å; L291-A295 WeakPolarHBondContact O-CB 3.28Å; L291-A295 PolarHBondContact O-N 3.36Å; A295-C297 PolarHBondContact O-N 3.17Å; A295-C298 WeakPolarHBondContact O-CB 3.38Å; A295-C298 PolarHBondContact O-N 3.16Å; A295-C299 PolarHBondContact O-N 3.43Å; A295-C299 PolarHBondContact O-SG 3.14Å; A295-C299 VanDerWaalsContact O-SG 3.41Å |
| 296 | G | 89.6 | Confident | 84.8 | Confident | 38 Ų | 38 | 69.2 Ų | 69.2 | 39% | 0.392 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -59.1 | -43.6 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | V292 F293 S294 C299 | V292-G296 PolarHBondContact O-N 3.06Å; F293-G296 PolarHBondContact O-N 3.42Å; S294-G296 VanDerWaalsContact C-N 3.3Å; S294-G296 PolarHBondContact O-N 3.34Å; G296-C299 PolarHBondContact O-N 2.96Å |
| 297 | C | 89.7 | Confident | 83.4 | Confident | 8 Ų | 8 | 68.7 Ų | 68.7 | 5% | 0.054 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -65.4 | -37.5 | 174.1 | -68.8 | 0 | 0 | 0 | 0 | 113 | F293 S294 A295 C299 L300 L301 A782 Y785 | F293-C297 WeakPolarHBondContact CE1-SG 3.29Å; F293-C297 PolarHBondContact O-N 3.26Å; S294-C297 WeakPolarHBondContact O-CB 3.34Å; S294-C297 PolarHBondContact O-N 3.13Å; S294-C297 VanDerWaalsContact O-N 3.16Å; A295-C297 PolarHBondContact O-N 3.17Å; C297-C299 VanDerWaalsContact C-N 3.28Å; C297-C299 PolarHBondContact O-N 2.78Å; C297-L300 PolarHBondContact O-N 3.49Å; C297-L301 PolarHBondContact O-N 2.86Å; C297-A782 HydrophobicContact CB-CB 3.8Å; C297-Y785 HydrophobicContact CB-CD1 3.97Å; C297-Y785 HydrophobicContact CB-CG 4.45Å |
| 298 | C | 85.1 | Confident | 82.2 | Confident | 37 Ų | 37 | 71.5 Ų | 71.5 | 25% | 0.25 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -59.8 | -39.2 | 176.9 | -66.4 | 0 | 0 | 0 | 0 | 111.6 | S294 A295 L300 L301 V781 | S294-C298 PolarHBondContact O-N 3.09Å; S294-C298 PolarHBondContact O-SG 2.74Å; A295-C298 WeakPolarHBondContact O-CB 3.38Å; A295-C298 PolarHBondContact O-N 3.16Å; C298-L300 PolarHBondContact O-N 3.47Å; C298-L301 VanDerWaalsContact O-CB 3.29Å; C298-L301 WeakPolarHBondContact O-CB 3.28Å; C298-L301 PolarHBondContact O-N 2.9Å; C298-V781 HydrophobicContact CB-CG1 4.3Å; C298-V781 VanDerWaalsContact SG-CG1 3.58Å |
| 299 | C | 85.8 | Confident | 81.4 | Confident | 116 Ų | 116 | 70.1 Ų | 70.1 | 78% | 0.784 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -67.3 | -18.7 | 176.5 | -64.7 | 0 | 0 | 0 | 0 | 113.8 | A295 G296 C297 | A295-C299 PolarHBondContact O-N 3.43Å; A295-C299 PolarHBondContact O-SG 3.14Å; A295-C299 VanDerWaalsContact O-SG 3.41Å; G296-C299 PolarHBondContact O-N 2.96Å; C297-C299 VanDerWaalsContact C-N 3.28Å; C297-C299 PolarHBondContact O-N 2.78Å |
| 300 | L | 86.4 | Confident | 80.7 | Confident | 101 Ų | 101 | 67.7 Ų | 67.7 | 53% | 0.529 | 39% | 0.39 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95 | -3.9 | 179.9 | -64.8 | 171.9 | 0 | 0 | 0 | 113.2 | C297 C298 R302 Y785 | C297-L300 PolarHBondContact O-N 3.49Å; C298-L300 PolarHBondContact O-N 3.47Å; L300-R302 PolarHBondContact O-N 3.39Å; L300-Y785 HydrophobicContact CB-CD2 4.44Å; L300-Y785 HydrophobicContact CB-CE2 3.79Å |
| 301 | L | 80.3 | Confident | 80.3 | Confident | 37 Ų | 37 | 66.3 Ų | 66.3 | 19% | 0.194 | 38% | 0.38 | C | S | . | . | P | Polyproline II helix | trans | -67.5 | 129.6 | -176.4 | -167.1 | 69.4 | 0 | 0 | 0 | 110.9 | C297 C298 V781 Y785 M791 | C297-L301 PolarHBondContact O-N 2.86Å; C298-L301 VanDerWaalsContact O-CB 3.29Å; C298-L301 WeakPolarHBondContact O-CB 3.28Å; C298-L301 PolarHBondContact O-N 2.9Å; L301-V781 HydrophobicContact CD2-CG1 3.53Å; L301-Y785 HydrophobicContact CD1-CD2 4.39Å; L301-M791 HydrophobicContact CD1-CG 4.3Å; L301-M791 HydrophobicContact CD2-CG 3.16Å; L301-M791 HydrophobicContact CD2-SD 3.86Å; L301-M791 HydrophobicContact CG-CG 3.64Å |
| 302 | R | 77.9 | Confident | 80 | Confident | 188 Ų | 188 | 69.6 Ų | 69.6 | 71% | 0.709 | 39% | 0.39 | S | S | * | . | P | Polyproline II helix | trans | -91.3 | 135.4 | -179.1 | -63.9 | -177.8 | -177.6 | -178.4 | 0.7 | 110.4 | L300 M791 | L300-R302 PolarHBondContact O-N 3.39Å; R302-M791 PolarHBondContact O-N 2.83Å; R302-M791 VanDerWaalsContact O-N 3.1Å |
| 303 | P | 72.1 | Confident | 79.3 | Confident | 73 Ų | 73 | 71.3 Ų | 71.3 | 47% | 0.474 | 39% | 0.391 | S | S | . | . | B | Isolated β-bridge | trans | -64.9 | 151.8 | 167.6 | 29.2 | -33.4 | 0 | 0 | 0 | 110 | T305 F692 | P303-T305 PolarHBondContact O-N 3.01Å; P303-F692 HydrophobicContact CB-CE2 4.5Å |
| 304 | A | 67.4 | Low | 78.7 | Confident | 19 Ų | 19 | 74.3 Ų | 74.3 | 16% | 0.157 | 41% | 0.407 | C | S | . | . | P | Polyproline II helix | trans | -55.2 | 127.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | E790 M791 | A304-E790 WeakPolarHBondContact CA-OE2 3.2Å; A304-E790 HydrophobicContact CB-CB 4.31Å; A304-M791 VanDerWaalsContact CB-O 3.32Å; A304-M791 WeakPolarHBondContact CB-O 3.38Å; A304-M791 PolarHBondContact N-O 3.37Å |
| 305 | T | 62 | Low | 78.3 | Confident | 56 Ų | 56 | 75.9 Ų | 75.9 | 34% | 0.344 | 42% | 0.416 | S | S | . | . | trans | -102.7 | -12.4 | -178.6 | 57.8 | 0 | 0 | 0 | 0 | 113 | P303 S690 E790 | P303-T305 PolarHBondContact O-N 3.01Å; T305-S690 VanDerWaalsContact O-CB 3.22Å; T305-S690 WeakPolarHBondContact O-CB 3.36Å; T305-E790 PolarHBondContact N-OE2 3.43Å; T305-E790 PolarHBondContact OG1-OE1 2.87Å; T305-E790 PolarHBondContact OG1-OE2 2.77Å | ||
| 306 | H | 63.1 | Low | 78 | Confident | 122 Ų | 122 | 75.3 Ų | 75.3 | 57% | 0.565 | 41% | 0.408 | S | S | * | . | S | Bend | trans | -130.6 | 154.9 | -178.1 | -61.3 | -65.5 | 0 | 0 | 0 | 110.9 | ||
| 307 | A | 63.9 | Low | 77.5 | Confident | 73 Ų | 73 | 74 Ų | 74 | 60% | 0.603 | 39% | 0.392 | S | S | * | . | P | Polyproline II helix | trans | -53.2 | 140.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||
| 308 | P | 67.1 | Low | 77.3 | Confident | 71 Ų | 71 | 74.3 Ų | 74.3 | 46% | 0.461 | 39% | 0.393 | S | S | . | . | P | Polyproline II helix | trans | -62.1 | 140.7 | -175.1 | 25 | -34 | 0 | 0 | 0 | 111.2 | L310 | P308-L310 PolarHBondContact O-N 3.31Š|
| 309 | L | 74.4 | Confident | 77.1 | Confident | 76 Ų | 76 | 73.8 Ų | 73.8 | 40% | 0.398 | 39% | 0.388 | S | S | . | . | P | Polyproline II helix | trans | -68.6 | 116.8 | 171.2 | -63.8 | 172.8 | 0 | 0 | 0 | 108.2 | Q318 V873 | L309-Q318 HydrophobicContact CD2-CG 4.26Å; L309-V873 HydrophobicContact CB-CB 4.48Å; L309-V873 HydrophobicContact CB-CG1 4.14Å; L309-V873 HydrophobicContact CB-CG2 4.4Å; L309-V873 WeakPolarHBondContact O-CB 3.47Å; L309-V873 WeakPolarHBondContact O-CG1 3.27Å |
| 310 | L | 78.6 | Confident | 76.7 | Confident | 75 Ų | 75 | 70.9 Ų | 70.9 | 39% | 0.393 | 37% | 0.365 | S | S | . | . | trans | -89.5 | -37.4 | 177.4 | -64.7 | 176.4 | 0 | 0 | 0 | 111.3 | P308 V873 P874 | P308-L310 PolarHBondContact O-N 3.31Å; L310-V873 PolarHBondContact O-N 3.06Å; L310-P874 WeakPolarHBondContact O-CD 3.44Å | ||
| 311 | F | 84.9 | Confident | 76.2 | Confident | 14 Ų | 14 | 68.9 Ų | 68.9 | 6% | 0.061 | 35% | 0.354 | C | S | . | . | B | Isolated β-bridge | trans | -125.2 | 159 | -179.6 | -53.9 | -83.3 | 0 | 0 | 0 | 110.8 | F20 V24 T27 T315 L317 Q318 I872 V873 | F20-F311 HydrophobicContact CZ-CE2 4.5Å; V24-F311 HydrophobicContact CB-CZ 4.4Å; V24-F311 HydrophobicContact CG1-CZ 4.34Å; V24-F311 HydrophobicContact CG2-CE1 4.29Å; V24-F311 HydrophobicContact CG2-CE2 4.22Å; V24-F311 HydrophobicContact CG2-CZ 3.52Å; T27-F311 HydrophobicContact CG2-CD1 4.3Å; T27-F311 HydrophobicContact CG2-CE1 4.4Å; F311-T315 HydrophobicContact CB-CG2 4.28Å; F311-T315 WeakPolarHBondContact CB-OG1 3.14Å; F311-L317 HydrophobicContact CD2-CB 4.46Å; F311-L317 HydrophobicContact CD2-CD2 3.88Å; F311-L317 HydrophobicContact CD2-CG 4.43Å; F311-L317 HydrophobicContact CE2-CD2 3.56Å; F311-L317 HydrophobicContact CE2-CG 4.45Å; F311-L317 HydrophobicContact CZ-CD2 4.03Å; F311-Q318 HydrophobicContact CB-CB 4.23Å; F311-Q318 WeakPolarHBondContact O-CG 3.46Å; F311-Q318 PolarHBondContact O-OE1 3.39Å; F311-I872 HydrophobicContact CD1-CG1 4.47Å; F311-I872 HydrophobicContact CE1-CG1 4.23Å; F311-V873 WeakPolarHBondContact O-CG2 3.4Å |
| 312 | R | 83.9 | Confident | 75.8 | Confident | 110 Ų | 110 | 69.6 Ų | 69.6 | 42% | 0.415 | 37% | 0.366 | S | S | . | . | trans | -55.8 | 142 | 175.5 | -161.6 | 176.6 | -71.6 | -176.7 | 2.5 | 110.2 | E314 T315 Q318 F869 C870 V871 | R312-E314 PolarHBondContact O-N 3.28Å; R312-T315 HydrophobicContact CB-CG2 4.45Å; R312-T315 WeakPolarHBondContact O-CB 3.4Å; R312-T315 WeakPolarHBondContact O-CG2 3.32Å; R312-T315 PolarHBondContact O-N 3.23Å; R312-T315 PolarHBondContact O-OG1 2.98Å; R312-Q318 WeakPolarHBondContact O-CB 3.32Å; R312-F869 PolarHBondContact NH2-O 3.41Å; R312-C870 PolarHBondContact NH2-O 3.48Å; R312-C870 VanDerWaalsContact NH2-O 3.08Å; R312-V871 PolarHBondContact N-O 3.02Å; R312-V871 VanDerWaalsContact N-O 3.09Å | ||
| 313 | Q | 78.9 | Confident | 75.6 | Confident | 140 Ų | 140 | 64.3 Ų | 64.3 | 65% | 0.654 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.5 | -27.7 | -171.4 | -74.2 | 178.9 | -17 | 0 | 0 | 114.5 | T315 T319 | Q313-T315 VanDerWaalsContact C-N 3.27Å; Q313-T315 PolarHBondContact O-N 3.48Å; Q313-T319 PolarHBondContact O-OG1 3.24Å |
| 314 | E | 79.3 | Confident | 75.4 | Confident | 167 Ų | 167 | 68.1 Ų | 68.1 | 78% | 0.78 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.7 | -13.9 | -178 | -60.3 | -176.6 | 170.3 | 0 | 0 | 113.6 | R312 | R312-E314 PolarHBondContact O-N 3.28Š|
| 315 | T | 83.6 | Confident | 75.2 | Confident | 34 Ų | 34 | 69.6 Ų | 69.6 | 21% | 0.209 | 37% | 0.365 | C | S | . | . | S | Bend | trans | -68.6 | 147.1 | -179.9 | 62.4 | 0 | 0 | 0 | 0 | 111.5 | F311 R312 Q313 L317 Q318 T319 V871 | F311-T315 HydrophobicContact CB-CG2 4.28Å; F311-T315 WeakPolarHBondContact CB-OG1 3.14Å; R312-T315 HydrophobicContact CB-CG2 4.45Å; R312-T315 WeakPolarHBondContact O-CB 3.4Å; R312-T315 WeakPolarHBondContact O-CG2 3.32Å; R312-T315 PolarHBondContact O-N 3.23Å; R312-T315 PolarHBondContact O-OG1 2.98Å; Q313-T315 VanDerWaalsContact C-N 3.27Å; Q313-T315 PolarHBondContact O-N 3.48Å; T315-L317 VanDerWaalsContact C-N 3.25Å; T315-L317 PolarHBondContact O-N 2.98Å; T315-Q318 PolarHBondContact O-N 2.93Å; T315-Q318 WeakPolarHBondContact OG1-CB 3.4Å; T315-Q318 PolarHBondContact OG1-N 3.4Å; T315-T319 WeakPolarHBondContact O-CB 3.24Å; T315-T319 PolarHBondContact O-N 2.82Å; T315-T319 PolarHBondContact O-OG1 3.42Å; T315-V871 HydrophobicContact CG2-CG1 3.82Å |
| 316 | N | 83.8 | Confident | 75.3 | Confident | 26 Ų | 26 | 71 Ų | 71 | 14% | 0.139 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -55.1 | -44.9 | 175.9 | 170.9 | 42 | 0 | 0 | 0 | 111 | L13 Y14 T319 L320 | L13-N316 VanDerWaalsContact CA-OD1 3.28Å; L13-N316 WeakPolarHBondContact CA-OD1 3.36Å; L13-N316 WeakPolarHBondContact CB-OD1 3.48Å; L13-N316 WeakPolarHBondContact CD2-OD1 3.41Å; Y14-N316 WeakPolarHBondContact CD1-ND2 3.39Å; Y14-N316 WeakPolarHBondContact CD2-ND2 3.14Å; Y14-N316 HydrophobicContact CE1-CB 4.45Å; Y14-N316 VanDerWaalsContact CE1-ND2 3.32Å; Y14-N316 WeakPolarHBondContact CE1-ND2 3.38Å; Y14-N316 WeakPolarHBondContact CE2-ND2 3.48Å; Y14-N316 VanDerWaalsContact CG-ND2 3.31Å; Y14-N316 PolarHBondContact N-OD1 3.42Å; Y14-N316 PolarHBondContact O-ND2 3.22Å; N316-T319 PolarHBondContact O-N 2.91Å; N316-L320 WeakPolarHBondContact O-CB 3.46Å; N316-L320 PolarHBondContact O-N 3.35Å |
| 317 | L | 80.1 | Confident | 75.2 | Confident | 12 Ų | 12 | 69.7 Ų | 69.7 | 6% | 0.063 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -62.7 | -48.5 | -178 | -152.8 | 60 | 0 | 0 | 0 | 112.2 | F20 V24 F311 T315 T319 L320 L321 | F20-L317 HydrophobicContact CB-CD1 4.45Å; F20-L317 HydrophobicContact CD2-CD1 3.35Å; F20-L317 HydrophobicContact CD2-CD2 3.65Å; F20-L317 HydrophobicContact CD2-CG 3.74Å; F20-L317 HydrophobicContact CE2-CD1 3.9Å; F20-L317 HydrophobicContact CE2-CD2 3.53Å; F20-L317 HydrophobicContact CE2-CG 3.73Å; F20-L317 HydrophobicContact CG-CD1 4.22Å; F20-L317 HydrophobicContact CG-CD2 4.34Å; F20-L317 HydrophobicContact CZ-CD2 4.17Å; V24-L317 HydrophobicContact CG2-CD2 3.98Å; F311-L317 HydrophobicContact CD2-CB 4.46Å; F311-L317 HydrophobicContact CD2-CD2 3.88Å; F311-L317 HydrophobicContact CD2-CG 4.43Å; F311-L317 HydrophobicContact CE2-CD2 3.56Å; F311-L317 HydrophobicContact CE2-CG 4.45Å; F311-L317 HydrophobicContact CZ-CD2 4.03Å; T315-L317 VanDerWaalsContact C-N 3.25Å; T315-L317 PolarHBondContact O-N 2.98Å; L317-T319 PolarHBondContact O-N 2.89Å; L317-L320 PolarHBondContact O-N 2.88Å; L317-L321 WeakPolarHBondContact O-CG 3.28Å; L317-L321 PolarHBondContact O-N 3.36Å |
| 318 | Q | 84.5 | Confident | 74.8 | Confident | 14 Ų | 14 | 66.8 Ų | 66.8 | 7% | 0.065 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -67.1 | -38.7 | 178.9 | -167.1 | 61.2 | 38.3 | 0 | 0 | 111.9 | L309 F311 R312 T315 L320 L321 A322 | L309-Q318 HydrophobicContact CD2-CG 4.26Å; F311-Q318 HydrophobicContact CB-CB 4.23Å; F311-Q318 WeakPolarHBondContact O-CG 3.46Å; F311-Q318 PolarHBondContact O-OE1 3.39Å; R312-Q318 WeakPolarHBondContact O-CB 3.32Å; T315-Q318 PolarHBondContact O-N 2.93Å; T315-Q318 WeakPolarHBondContact OG1-CB 3.4Å; T315-Q318 PolarHBondContact OG1-N 3.4Å; Q318-L320 VanDerWaalsContact C-N 3.28Å; Q318-L320 PolarHBondContact O-N 2.85Å; Q318-L321 PolarHBondContact O-N 2.91Å; Q318-A322 VanDerWaalsContact O-CB 3.27Å; Q318-A322 WeakPolarHBondContact O-CB 3.36Å; Q318-A322 PolarHBondContact O-N 3.25Å |
| 319 | T | 81.2 | Confident | 73.8 | Confident | 26 Ų | 26 | 65 Ų | 65 | 16% | 0.16 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -60.9 | -41.5 | 175.7 | -53.2 | 0 | 0 | 0 | 0 | 110.5 | L13 Q313 T315 N316 L317 A322 L323 | L13-T319 HydrophobicContact CD1-CG2 3.75Å; L13-T319 HydrophobicContact CD2-CG2 4.04Å; Q313-T319 PolarHBondContact O-OG1 3.24Å; T315-T319 WeakPolarHBondContact O-CB 3.24Å; T315-T319 PolarHBondContact O-N 2.82Å; T315-T319 PolarHBondContact O-OG1 3.42Å; N316-T319 PolarHBondContact O-N 2.91Å; L317-T319 PolarHBondContact O-N 2.89Å; T319-A322 PolarHBondContact O-N 2.98Å; T319-L323 HydrophobicContact CG2-CD1 4.1Å; T319-L323 WeakPolarHBondContact O-CB 3.47Å; T319-L323 VanDerWaalsContact O-CG 3.3Å; T319-L323 WeakPolarHBondContact O-CG 3.49Å; T319-L323 PolarHBondContact O-N 3.49Å |
| 320 | L | 77.3 | Confident | 72.5 | Confident | 55 Ų | 55 | 67.9 Ų | 67.9 | 29% | 0.288 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -66.9 | -42.8 | 178.6 | -171.5 | 143.6 | 0 | 0 | 0 | 111.8 | L13 N316 L317 Q318 L323 R324 | L13-L320 HydrophobicContact CB-CD1 4.31Å; N316-L320 WeakPolarHBondContact O-CB 3.46Å; N316-L320 PolarHBondContact O-N 3.35Å; L317-L320 PolarHBondContact O-N 2.88Å; Q318-L320 VanDerWaalsContact C-N 3.28Å; Q318-L320 PolarHBondContact O-N 2.85Å; L320-L323 PolarHBondContact O-N 3.05Å; L320-R324 WeakPolarHBondContact O-CB 3.32Å; L320-R324 PolarHBondContact O-N 3.48Å |
| 321 | L | 74.9 | Confident | 71 | Confident | 59 Ų | 59 | 66.5 Ų | 66.5 | 31% | 0.309 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -62.6 | -44.2 | 173.8 | -69.6 | 172.7 | 0 | 0 | 0 | 112 | L317 Q318 R324 S325 | L317-L321 WeakPolarHBondContact O-CG 3.28Å; L317-L321 PolarHBondContact O-N 3.36Å; Q318-L321 PolarHBondContact O-N 2.91Å; L321-R324 PolarHBondContact O-N 3.49Å; L321-S325 PolarHBondContact O-N 3.48Å |
| 322 | A | 73.6 | Confident | 69.2 | Low | 52 Ų | 52 | 69.9 Ų | 69.9 | 43% | 0.43 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -65.4 | -41.1 | 178 | 0 | 0 | 0 | 0 | 0 | 112 | Q318 T319 S325 N326 | Q318-A322 VanDerWaalsContact O-CB 3.27Å; Q318-A322 WeakPolarHBondContact O-CB 3.36Å; Q318-A322 PolarHBondContact O-N 3.25Å; T319-A322 PolarHBondContact O-N 2.98Å; A322-S325 PolarHBondContact O-N 3.32Å; A322-N326 WeakPolarHBondContact O-CB 3.49Å; A322-N326 PolarHBondContact O-N 3.28Å |
| 323 | L | 72.9 | Confident | 67 | Low | 77 Ų | 77 | 68.2 Ų | 68.2 | 40% | 0.403 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -64.6 | -42.6 | 173.9 | -77.7 | 169.2 | 0 | 0 | 0 | 111.5 | L13 T319 L320 S325 N326 L327 | L13-L323 HydrophobicContact CD1-CD1 3.21Å; T319-L323 HydrophobicContact CG2-CD1 4.1Å; T319-L323 WeakPolarHBondContact O-CB 3.47Å; T319-L323 VanDerWaalsContact O-CG 3.3Å; T319-L323 WeakPolarHBondContact O-CG 3.49Å; T319-L323 PolarHBondContact O-N 3.49Å; L320-L323 PolarHBondContact O-N 3.05Å; L323-S325 VanDerWaalsContact C-N 3.29Å; L323-S325 PolarHBondContact O-N 3.05Å; L323-N326 PolarHBondContact O-N 3.47Å; L323-L327 WeakPolarHBondContact O-CB 3.28Å; L323-L327 WeakPolarHBondContact O-CG 3.14Å; L323-L327 PolarHBondContact O-N 3.28Å |
| 324 | R | 67.8 | Low | 65 | Low | 153 Ų | 153 | 63.9 Ų | 63.9 | 58% | 0.577 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -57.9 | -44.3 | 174.9 | -174.8 | 176.1 | -177.1 | 168.6 | 1.3 | 111 | L320 L321 S328 | L320-R324 WeakPolarHBondContact O-CB 3.32Å; L320-R324 PolarHBondContact O-N 3.48Å; L321-R324 PolarHBondContact O-N 3.49Å; R324-S328 VanDerWaalsContact O-CB 3.28Å; R324-S328 WeakPolarHBondContact O-CB 3.49Å; R324-S328 PolarHBondContact O-N 2.8Å; R324-S328 VanDerWaalsContact O-N 3.13Å; R324-S328 PolarHBondContact O-OG 2.9Å |
| 325 | S | 63.1 | Low | 63.1 | Low | 50 Ų | 50 | 61.6 Ų | 61.6 | 35% | 0.35 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -64.1 | -48.8 | 176.2 | 179.4 | 0 | 0 | 0 | 0 | 112.2 | L321 A322 L323 S328 G329 | L321-S325 PolarHBondContact O-N 3.48Å; A322-S325 PolarHBondContact O-N 3.32Å; L323-S325 VanDerWaalsContact C-N 3.29Å; L323-S325 PolarHBondContact O-N 3.05Å; S325-S328 CarbonylContact O-C 3.38Å; S325-S328 WeakPolarHBondContact O-CB 3.16Å; S325-S328 PolarHBondContact O-N 3.04Å; S325-G329 PolarHBondContact O-N 2.96Å |
| 326 | N | 64.4 | Low | 60.7 | Low | 85 Ų | 85 | 65.5 Ų | 65.5 | 46% | 0.455 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -69.4 | -41 | -176.2 | -163.9 | 2.6 | 0 | 0 | 0 | 112.7 | A322 L323 S328 G329 Q330 | A322-N326 WeakPolarHBondContact O-CB 3.49Å; A322-N326 PolarHBondContact O-N 3.28Å; L323-N326 PolarHBondContact O-N 3.47Å; N326-S328 PolarHBondContact O-N 3.49Å; N326-G329 PolarHBondContact O-N 3.48Å; N326-G329 VanDerWaalsContact O-N 3.15Å; N326-Q330 PolarHBondContact O-N 2.95Å |
| 327 | L | 61 | Low | 58.4 | Low | 94 Ų | 94 | 67.3 Ų | 67.3 | 49% | 0.492 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -64.6 | -30.9 | 173.7 | -68.3 | 170.6 | 0 | 0 | 0 | 111.7 | L323 I332 | L323-L327 WeakPolarHBondContact O-CB 3.28Å; L323-L327 WeakPolarHBondContact O-CG 3.14Å; L323-L327 PolarHBondContact O-N 3.28Å; L327-I332 HydrophobicContact CD2-CD1 3.58Å |
| 328 | S | 54.8 | Low | 56.2 | Low | 13 Ų | 13 | 71.5 Ų | 71.5 | 9% | 0.091 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -75.3 | -36.1 | 172.3 | -56.9 | 0 | 0 | 0 | 0 | 112.1 | R324 S325 N326 Y686 | R324-S328 VanDerWaalsContact O-CB 3.28Å; R324-S328 WeakPolarHBondContact O-CB 3.49Å; R324-S328 PolarHBondContact O-N 2.8Å; R324-S328 VanDerWaalsContact O-N 3.13Å; R324-S328 PolarHBondContact O-OG 2.9Å; S325-S328 CarbonylContact O-C 3.38Å; S325-S328 WeakPolarHBondContact O-CB 3.16Å; S325-S328 PolarHBondContact O-N 3.04Å; N326-S328 PolarHBondContact O-N 3.49Å; S328-Y686 WeakPolarHBondContact O-CD2 3.18Å |
| 329 | G | 46.2 | Very low | 53.7 | Low | 34 Ų | 34 | 73.8 Ų | 73.8 | 35% | 0.351 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -78.6 | -34.9 | -176 | 0 | 0 | 0 | 0 | 0 | 115.4 | S325 N326 G331 | S325-G329 PolarHBondContact O-N 2.96Å; N326-G329 PolarHBondContact O-N 3.48Å; N326-G329 VanDerWaalsContact O-N 3.15Å; G329-G331 PolarHBondContact O-N 3.37Å |
| 330 | Q | 46.7 | Very low | 51.2 | Low | 136 Ų | 136 | 78.6 Ų | 78.6 | 64% | 0.636 | 48% | 0.484 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.6 | 1.6 | -179.9 | -75.3 | -170.1 | -9.9 | 0 | 0 | 114.1 | N326 I332 | N326-Q330 PolarHBondContact O-N 2.95Å; Q330-I332 VanDerWaalsContact C-N 3.28Å; Q330-I332 HydrophobicContact CB-CG1 4.35Å; Q330-I332 PolarHBondContact O-N 3.32Å |
| 331 | G | 48.3 | Very low | 48.9 | Very low | 46 Ų | 46 | 85.2 Ų | 85.2 | 47% | 0.474 | 51% | 0.511 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 46.9 | 56.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | G329 S333 | G329-G331 PolarHBondContact O-N 3.37Å; G331-S333 PolarHBondContact O-N 2.92Å |
| 332 | I | 46.8 | Very low | 46.6 | Very low | 85 Ų | 85 | 90.6 Ų | 90.6 | 44% | 0.436 | 54% | 0.537 | S | S | . | . | trans | -68.5 | 72.4 | 172.5 | -52.7 | 175.9 | 0 | 0 | 0 | 106.9 | L327 Q330 C334 | L327-I332 HydrophobicContact CD2-CD1 3.58Å; Q330-I332 VanDerWaalsContact C-N 3.28Å; Q330-I332 HydrophobicContact CB-CG1 4.35Å; Q330-I332 PolarHBondContact O-N 3.32Å; I332-C334 PolarHBondContact O-N 3.42Å | ||
| 333 | S | 38.8 | Very low | 44.3 | Very low | 75 Ų | 75 | 94.7 Ų | 94.7 | 52% | 0.524 | 55% | 0.547 | S | S | . | . | trans | -69.2 | 90.7 | 153.4 | 56.4 | 0 | 0 | 0 | 0 | 104.2 | G331 P335 | G331-S333 PolarHBondContact O-N 2.92Å; S333-P335 WeakPolarHBondContact O-CD 3.4Å | ||
| 334 | C | 36.9 | Very low | 42 | Very low | 49 Ų | 49 | 99.7 Ų | 99.7 | 33% | 0.331 | 57% | 0.566 | S | S | . | * | trans | -73.3 | 107.6 | 153.4 | -139.8 | 0 | 0 | 0 | 0 | 104.6 | I332 T336 C337 | I332-C334 PolarHBondContact O-N 3.42Å; C334-T336 PolarHBondContact O-N 3.42Å; C334-T336 VanDerWaalsContact O-N 3.07Å; C334-T336 PolarHBondContact SG-O 3.17Å; C334-T336 VanDerWaalsContact SG-O 3.41Å; C334-C337 HydrophobicContact CB-CB 4.17Å; C334-C337 WeakPolarHBondContact CB-SG 3.33Å | ||
| 335 | P | 38.3 | Very low | 40.1 | Very low | 118 Ų | 118 | 98.4 Ų | 98.4 | 77% | 0.766 | 58% | 0.577 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.9 | -15.7 | 172.5 | 26.1 | -34.1 | 0 | 0 | 0 | 111.2 | S333 | S333-P335 WeakPolarHBondContact O-CD 3.4Š|
| 336 | T | 33.7 | Very low | 38.3 | Very low | 116 Ų | 116 | 102.4 Ų | 102.4 | 71% | 0.712 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -143.5 | 81.3 | 175.7 | 50.9 | 0 | 0 | 0 | 0 | 110.4 | C334 | C334-T336 PolarHBondContact O-N 3.42Å; C334-T336 VanDerWaalsContact O-N 3.07Å; C334-T336 PolarHBondContact SG-O 3.17Å; C334-T336 VanDerWaalsContact SG-O 3.41Å |
| 337 | C | 35.4 | Very low | 36.6 | Very low | 64 Ų | 64 | 106.9 Ų | 106.9 | 43% | 0.432 | 61% | 0.613 | S | S | . | * | P | Polyproline II helix | trans | -77.6 | 117.7 | 160.2 | -88.5 | 0 | 0 | 0 | 0 | 108.1 | C334 G339 | C334-C337 HydrophobicContact CB-CB 4.17Å; C334-C337 WeakPolarHBondContact CB-SG 3.33Å; C337-G339 PolarHBondContact O-N 2.9Å |
| 338 | S | 33.4 | Very low | 35.1 | Very low | 100 Ų | 100 | 109.9 Ų | 109.9 | 70% | 0.699 | 63% | 0.628 | S | S | * | * | P | Polyproline II helix | trans | -57.2 | 126.6 | 163.8 | 42.6 | 0 | 0 | 0 | 0 | 108.9 | ||
| 339 | G | 32.9 | Very low | 33.8 | Very low | 63 Ų | 63 | 119 Ų | 119 | 65% | 0.649 | 66% | 0.663 | S | S | * | * | P | Polyproline II helix | trans | -54.2 | 159.3 | -165.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | C337 F341 | C337-G339 PolarHBondContact O-N 2.9Å; G339-F341 PolarHBondContact O-N 3.46Å |
| 340 | V | 28.6 | Very low | 32.9 | Very low | 126 Ų | 126 | 124 Ų | 124 | 76% | 0.764 | 69% | 0.686 | S | S | * | * | P | Polyproline II helix | trans | -61.2 | 117.6 | 169.1 | 178.3 | 0 | 0 | 0 | 0 | 108.6 | M342 | V340-M342 HydrophobicContact CG1-CG 4.12Å; V340-M342 PolarHBondContact O-N 3.33Å |
| 341 | F | 27.9 | Very low | 32.1 | Very low | 194 Ų | 194 | 126.1 Ų | 126.1 | 85% | 0.851 | 70% | 0.696 | S | S | * | * | trans | -78.4 | 98.6 | 165.4 | -125.9 | -92.4 | 0 | 0 | 0 | 107.3 | G339 E343 | G339-F341 PolarHBondContact O-N 3.46Å; F341-E343 PolarHBondContact O-N 3.39Å | ||
| 342 | M | 26.5 | Very low | 31 | Very low | 173 Ų | 173 | 130.5 Ų | 130.5 | 85% | 0.852 | 71% | 0.713 | S | S | * | * | trans | -80.8 | 94.8 | 160.5 | -75.3 | -168.6 | 77.2 | 0 | 0 | 107.3 | V340 K344 | V340-M342 HydrophobicContact CG1-CG 4.12Å; V340-M342 PolarHBondContact O-N 3.33Å; M342-K344 PolarHBondContact O-N 2.99Å | ||
| 343 | E | 25.3 | Very low | 30.1 | Very low | 138 Ų | 138 | 131.7 Ų | 131.7 | 65% | 0.645 | 73% | 0.729 | S | S | * | * | trans | -68.4 | 126.1 | 162 | -158.5 | 170.7 | 179.7 | 0 | 0 | 107.2 | F341 H346 | F341-E343 PolarHBondContact O-N 3.39Å; E343-H346 IonicContact OE1-CD2 2.84Å; E343-H346 IonicContact OE1-CE1 2.76Å; E343-H346 IonicContact OE1-NE2 3.41Å; E343-H346 PolarHBondContact OE1-NE2 2.85Å | ||
| 344 | K | 24.7 | Very low | 29.5 | Very low | 182 Ų | 182 | 137.4 Ų | 137.4 | 79% | 0.791 | 75% | 0.747 | S | S | * | * | trans | -55.4 | 137.8 | 173.9 | -76.5 | -179.3 | 177.5 | 178.2 | 0 | 108.1 | M342 H346 | M342-K344 PolarHBondContact O-N 2.99Å; K344-H346 PolarHBondContact O-N 2.92Å | ||
| 345 | P | 27.6 | Very low | 29 | Very low | 125 Ų | 125 | 140.7 Ų | 140.7 | 81% | 0.812 | 77% | 0.771 | S | S | * | * | trans | -58.9 | 115.5 | -179 | 22.6 | -31.3 | 0 | 0 | 0 | 109.4 | L347 | P345-L347 PolarHBondContact O-N 3.01Š| ||
| 346 | H | 26.5 | Very low | 28.4 | Very low | 134 Ų | 134 | 138.4 Ų | 138.4 | 62% | 0.62 | 77% | 0.769 | S | S | * | * | trans | -65.9 | 121.1 | 165.8 | -66.6 | -70.1 | 0 | 0 | 0 | 107.1 | E343 K344 L348 | E343-H346 IonicContact OE1-CD2 2.84Å; E343-H346 IonicContact OE1-CE1 2.76Å; E343-H346 IonicContact OE1-NE2 3.41Å; E343-H346 PolarHBondContact OE1-NE2 2.85Å; K344-H346 PolarHBondContact O-N 2.92Å; H346-L348 VanDerWaalsContact C-N 3.35Å; H346-L348 PolarHBondContact O-N 3.3Å | ||
| 347 | L | 29.2 | Very low | 28 | Very low | 180 Ų | 180 | 141.4 Ų | 141.4 | 94% | 0.942 | 78% | 0.78 | S | S | * | * | trans | -61.9 | 97.3 | 170.6 | -84.8 | 157.5 | 0 | 0 | 0 | 108.5 | P345 Y349 | P345-L347 PolarHBondContact O-N 3.01Å; L347-Y349 PolarHBondContact O-N 3.2Å | ||
| 348 | L | 28.3 | Very low | 27.3 | Very low | 156 Ų | 156 | 149.5 Ų | 149.5 | 82% | 0.817 | 80% | 0.801 | S | S | * | * | trans | -76.7 | 105.5 | 170.8 | -81.2 | 162.5 | 0 | 0 | 0 | 108.9 | H346 | H346-L348 VanDerWaalsContact C-N 3.35Å; H346-L348 PolarHBondContact O-N 3.3Å | ||
| 349 | Y | 28.1 | Very low | 26.8 | Very low | 206 Ų | 206 | 154.9 Ų | 154.9 | 81% | 0.808 | 81% | 0.812 | S | S | * | * | trans | 38.6 | 99.4 | 152.3 | -81.3 | -90.5 | 0 | 0 | 0 | 117.9 | L347 H351 | L347-Y349 PolarHBondContact O-N 3.2Å; Y349-H351 PolarHBondContact O-N 3.27Å | ||
| 350 | T | 26.8 | Very low | 26.3 | Very low | 137 Ų | 137 | 156.1 Ų | 156.1 | 84% | 0.84 | 81% | 0.811 | S | S | * | * | trans | -60.4 | 116.4 | 152.6 | 42.6 | 0 | 0 | 0 | 0 | 110 | T352 | T350-T352 PolarHBondContact O-N 3.47Š| ||
| 351 | H | 30 | Very low | 26.1 | Very low | 182 Ų | 182 | 156.2 Ų | 156.2 | 84% | 0.843 | 81% | 0.812 | S | S | * | * | trans | -62.2 | 121.9 | 163.1 | -90.9 | -89.8 | 0 | 0 | 0 | 109.5 | Y349 S353 | Y349-H351 PolarHBondContact O-N 3.27Å; H351-S353 PolarHBondContact O-N 2.87Å | ||
| 352 | T | 26.3 | Very low | 26 | Very low | 138 Ų | 138 | 154.4 Ų | 154.4 | 85% | 0.847 | 81% | 0.806 | S | S | * | * | trans | -62.1 | 107.2 | 166.8 | 41 | 0 | 0 | 0 | 0 | 110.3 | T350 | T350-T352 PolarHBondContact O-N 3.47Š| ||
| 353 | S | 27.5 | Very low | 26 | Very low | 109 Ų | 109 | 154.4 Ų | 154.4 | 76% | 0.762 | 80% | 0.804 | S | S | * | * | trans | -99.3 | 113.2 | 154.7 | 53.7 | 0 | 0 | 0 | 0 | 108.6 | H351 S355 | H351-S353 PolarHBondContact O-N 2.87Å; S353-S355 PolarHBondContact O-N 3.31Å | ||
| 354 | Q | 25.6 | Very low | 25.9 | Very low | 195 Ų | 195 | 155.9 Ų | 155.9 | 91% | 0.911 | 81% | 0.811 | S | S | * | * | trans | -61.8 | 122.1 | 165.8 | -76.5 | 174 | -27.2 | 0 | 0 | 109.9 | ||||
| 355 | S | 26.8 | Very low | 25.8 | Very low | 118 Ų | 118 | 153 Ų | 153 | 83% | 0.825 | 81% | 0.813 | S | S | * | * | trans | -166.9 | 131.4 | 138.7 | 46.9 | 0 | 0 | 0 | 0 | 108.3 | S353 | S353-S355 PolarHBondContact O-N 3.31Š| ||
| 356 | G | 24.7 | Very low | 25.6 | Very low | 70 Ų | 70 | 156 Ų | 156 | 72% | 0.722 | 82% | 0.816 | S | S | * | * | trans | -78.5 | 154.2 | -164.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 357 | L | 26.1 | Very low | 25.3 | Very low | 180 Ų | 180 | 154.7 Ų | 154.7 | 94% | 0.942 | 82% | 0.822 | S | S | * | * | trans | -155.9 | 119.8 | 139.7 | -106.4 | 132.9 | 0 | 0 | 0 | 108.7 | ||||
| 358 | R | 21.1 | Very low | 25 | Very low | 234 Ų | 234 | 151.9 Ų | 151.9 | 88% | 0.883 | 81% | 0.813 | S | S | * | * | trans | -64.7 | 140.5 | 171.9 | -70.5 | 171.5 | 172.1 | 169 | -3 | 109.1 | ||||
| 359 | F | 23.6 | Very low | 24.6 | Very low | 212 Ų | 212 | 150.3 Ų | 150.3 | 93% | 0.93 | 81% | 0.81 | S | S | * | * | -155.3 | 139.4 | 123.8 | -110 | -79.1 | 0 | 0 | 0 | 111 | |||||
| 360 | S | 21.2 | Very low | 24.3 | Very low | 89 Ų | 89 | 145.2 Ų | 145.2 | 62% | 0.622 | 81% | 0.81 | S | S | * | * | trans | -83.4 | 147.1 | -171.5 | 174 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 361 | T | 24.4 | Very low | 24.2 | Very low | 129 Ų | 129 | 144.2 Ų | 144.2 | 79% | 0.791 | 81% | 0.809 | S | S | * | * | 179.2 | 126.5 | 109.1 | 33.2 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 362 | H | 25.1 | Very low | 23.7 | Very low | 155 Ų | 155 | 142.4 Ų | 142.4 | 72% | 0.718 | 81% | 0.811 | S | S | * | * | trans | 20.2 | 139.4 | 145.9 | -83.2 | -86.1 | 0 | 0 | 0 | 120.5 | ||||
| 363 | Q | 26.6 | Very low | 23.6 | Very low | 174 Ų | 174 | 142.8 Ų | 142.8 | 81% | 0.813 | 81% | 0.813 | S | S | * | * | -171.6 | 112 | 51.5 | -135.7 | 169 | -2.4 | 0 | 0 | 107.7 | |||||
| 364 | Q | 23.6 | Very low | 23.3 | Very low | 169 Ų | 169 | 143.2 Ų | 143.2 | 79% | 0.79 | 82% | 0.816 | S | S | * | * | 54.7 | 106.2 | 94.7 | -151.9 | 173.1 | 14.3 | 0 | 0 | 118.1 | |||||
| 365 | S | 23.5 | Very low | 23.1 | Very low | 120 Ų | 120 | 142 Ų | 142 | 84% | 0.839 | 81% | 0.812 | S | S | * | * | -166.3 | 117.5 | 123.2 | 61.5 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 366 | Q | 22.2 | Very low | 22.8 | Very low | 188 Ų | 188 | 145.2 Ų | 145.2 | 88% | 0.879 | 81% | 0.811 | S | S | * | * | trans | -94.1 | 151.8 | 173.7 | -75.5 | 171.7 | -29.2 | 0 | 0 | 111.1 | ||||
| 367 | S | 21.8 | Very low | 22.7 | Very low | 107 Ų | 107 | 148 Ų | 148 | 75% | 0.748 | 81% | 0.814 | S | S | * | * | trans | -169.1 | 100.7 | 140.6 | 57.9 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 368 | T | 21.1 | Very low | 22.6 | Very low | 121 Ų | 121 | 144.5 Ų | 144.5 | 74% | 0.742 | 81% | 0.805 | S | S | * | * | 107 | 121.3 | 84.1 | -9.2 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 369 | T | 21.6 | Very low | 23.3 | Very low | 124 Ų | 124 | 139 Ų | 139 | 76% | 0.761 | 80% | 0.799 | S | S | * | * | trans | 64.5 | 111.3 | 140.7 | 42.1 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 370 | A | 21.8 | Very low | 23.4 | Very low | 98 Ų | 98 | 134.8 Ų | 134.8 | 81% | 0.81 | 80% | 0.797 | S | S | * | * | 56.8 | 116.4 | 118.1 | 0 | 0 | 0 | 0 | 0 | 119.6 | |||||
| 371 | S | 22.6 | Very low | 23.6 | Very low | 116 Ų | 116 | 136.6 Ų | 136.6 | 81% | 0.811 | 80% | 0.804 | S | S | * | * | trans | -132.6 | 110 | 160.4 | 60.6 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 372 | T | 21.4 | Very low | 23.7 | Very low | 145 Ų | 145 | 138.4 Ų | 138.4 | 89% | 0.89 | 81% | 0.809 | S | S | * | * | trans | -54.6 | 143 | 160 | -0.1 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 373 | V | 22.8 | Very low | 24 | Very low | 145 Ų | 145 | 138.7 Ų | 138.7 | 88% | 0.879 | 82% | 0.816 | S | S | * | * | trans | -75.9 | 129.5 | 176.6 | 172.8 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 374 | S | 21 | Very low | 24.4 | Very low | 118 Ų | 118 | 136.6 Ų | 136.6 | 83% | 0.825 | 82% | 0.815 | S | S | * | * | trans | -132.4 | 126.9 | 161.5 | -177.4 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 375 | M | 22.9 | Very low | 25.4 | Very low | 170 Ų | 170 | 134.4 Ų | 134.4 | 84% | 0.837 | 81% | 0.809 | S | S | * | * | trans | -79 | 138.5 | 168.6 | -91.4 | -179.6 | 148.5 | 0 | 0 | 110.5 | ||||
| 376 | K | 20.4 | Very low | 27.2 | Very low | 186 Ų | 186 | 130.8 Ų | 130.8 | 81% | 0.809 | 78% | 0.783 | S | S | * | * | 173.2 | 137.9 | 116.1 | -102.7 | -179.6 | 178.2 | 176.5 | 0 | 114.7 | |||||
| 377 | T | 22.1 | Very low | 29.6 | Very low | 128 Ų | 128 | 125.1 Ų | 125.1 | 79% | 0.785 | 76% | 0.759 | S | S | * | * | trans | 61.8 | 142.8 | 142.9 | 46.5 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 378 | S | 23.1 | Very low | 32.3 | Very low | 106 Ų | 106 | 122.5 Ų | 122.5 | 74% | 0.741 | 74% | 0.736 | S | S | * | * | cis | -177.7 | -155.8 | 10.1 | 45.3 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 379 | P | 36.9 | Very low | 35.2 | Very low | 118 Ų | 118 | 118.7 Ų | 118.7 | 77% | 0.766 | 71% | 0.713 | S | S | * | * | -122.2 | 170.1 | -61.5 | 31.5 | -13.5 | 0 | 0 | 0 | 112.8 | |||||
| 380 | S | 25.3 | Very low | 38 | Very low | 125 Ų | 125 | 112.8 Ų | 112.8 | 87% | 0.874 | 68% | 0.676 | S | S | * | * | trans | -165.2 | 132.3 | 144.2 | 46.2 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 381 | T | 24.5 | Very low | 41 | Very low | 127 Ų | 127 | 111.9 Ų | 111.9 | 78% | 0.779 | 65% | 0.653 | S | S | * | * | trans | -87 | 139.9 | 176.7 | 33.4 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 382 | N | 27.7 | Very low | 43.9 | Very low | 167 Ų | 167 | 106.6 Ų | 106.6 | 89% | 0.893 | 62% | 0.615 | S | S | * | * | trans | -158.5 | 129.8 | 137.7 | -100.2 | -14.5 | 0 | 0 | 0 | 110.9 | ||||
| 383 | N | 30.1 | Very low | 46.9 | Very low | 160 Ų | 160 | 100 Ų | 100 | 86% | 0.856 | 58% | 0.575 | S | S | * | * | trans | -78.4 | 117.6 | -170.1 | -77.7 | -33.6 | 0 | 0 | 0 | 112.9 | ||||
| 384 | T | 36 | Very low | 49.8 | Very low | 130 Ų | 130 | 95.5 Ų | 95.5 | 80% | 0.798 | 54% | 0.544 | S | S | * | . | S | Bend | trans | -139.8 | 107.6 | 146.4 | 42 | 0 | 0 | 0 | 0 | 107.8 | ||
| 385 | D | 45.3 | Very low | 52.6 | Low | 123 Ų | 123 | 90.7 Ų | 90.7 | 66% | 0.658 | 51% | 0.508 | S | S | * | . | trans | 33 | 87.2 | 160.2 | -61.1 | -31.2 | 0 | 0 | 0 | 117.6 | L387 | D385-L387 PolarHBondContact O-N 3.46Š| ||
| 386 | S | 60.8 | Low | 54.6 | Low | 44 Ų | 44 | 85.1 Ų | 85.1 | 31% | 0.308 | 49% | 0.489 | S | S | . | . | trans | -78.8 | 59 | -174.3 | 65.8 | 0 | 0 | 0 | 0 | 113.3 | S433 | S386-S433 WeakPolarHBondContact CB-OG 3.4Å; S386-S433 PolarHBondContact O-N 2.98Å; S386-S433 PolarHBondContact OG-OG 3.29Å | ||
| 387 | L | 71.7 | Confident | 56.7 | Low | 70 Ų | 70 | 82.2 Ų | 82.2 | 37% | 0.366 | 48% | 0.479 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 114.5 | 164.6 | -86.9 | 132.9 | 0 | 0 | 0 | 109.4 | D385 Q430 A431 F432 P527 | D385-L387 PolarHBondContact O-N 3.46Å; L387-Q430 HydrophobicContact CD2-CB 3.89Å; L387-A431 CarbonylContact C-O 3.59Å; L387-F432 HydrophobicContact CD1-CE1 3.9Å; L387-F432 HydrophobicContact CD1-CZ 4.34Å; L387-F432 HydrophobicContact CD2-CE1 4.16Å; L387-F432 HydrophobicContact CD2-CZ 4.18Å; L387-F432 HydrophobicContact CG-CD1 4.05Å; L387-F432 HydrophobicContact CG-CE1 3.67Å; L387-F432 HydrophobicContact CG-CZ 4.18Å; L387-P527 HydrophobicContact CD2-CB 4.44Å; L387-P527 HydrophobicContact CD2-CG 3.62Å |
| 388 | L | 78.4 | Confident | 58.2 | Low | 51 Ų | 51 | 80.5 Ų | 80.5 | 27% | 0.267 | 49% | 0.486 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 138.5 | 171.6 | -67.5 | 163.8 | 0 | 0 | 0 | 109.5 | L408 Q430 A431 | L388-L408 HydrophobicContact CB-CD2 4.23Å; L388-L408 HydrophobicContact CD2-CD1 4.39Å; L388-L408 HydrophobicContact CD2-CD2 4.28Å; L388-Q430 CarbonylContact O-C 3.56Å; L388-Q430 VanDerWaalsContact O-CA 3.3Å; L388-Q430 WeakPolarHBondContact O-CA 3.24Å; L388-A431 PolarHBondContact N-O 2.95Å; L388-A431 PolarHBondContact O-N 3.28Å |
| 389 | T | 82.7 | Confident | 59.9 | Low | 41 Ų | 41 | 77.9 Ų | 77.9 | 25% | 0.252 | 48% | 0.476 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 118 | 167.5 | -56.7 | 0 | 0 | 0 | 0 | 109.1 | Y391 F429 | T389-Y391 HydrophobicContact CG2-CE1 4.1Å; T389-Y391 HydrophobicContact CG2-CE2 3.97Å; T389-F429 CarbonylContact C-O 3.57Å; T389-F429 WeakPolarHBondContact CA-O 3.29Å |
| 390 | V | 81.6 | Confident | 60.9 | Low | 0 Ų | 0 | 78.4 Ų | 78.4 | 0% | 0 | 48% | 0.483 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 116.3 | 176.3 | -176.3 | 0 | 0 | 0 | 0 | 108.4 | F406 L408 S428 F429 F474 F476 | V390-F406 HydrophobicContact CG1-CB 4.2Å; V390-F406 HydrophobicContact CG1-CD1 4.28Å; V390-L408 HydrophobicContact CG2-CD2 4.08Å; V390-S428 CarbonylContact O-C 3.52Å; V390-S428 WeakPolarHBondContact O-CA 3.5Å; V390-S428 WeakPolarHBondContact O-CB 3.18Å; V390-F429 HydrophobicContact CB-CD1 4.22Å; V390-F429 HydrophobicContact CB-CD2 4.39Å; V390-F429 HydrophobicContact CB-CE1 3.8Å; V390-F429 HydrophobicContact CB-CE2 4Å; V390-F429 HydrophobicContact CB-CG 4.48Å; V390-F429 HydrophobicContact CB-CZ 3.68Å; V390-F429 HydrophobicContact CG1-CE1 3.81Å; V390-F429 HydrophobicContact CG1-CZ 3.81Å; V390-F429 HydrophobicContact CG2-CE2 4Å; V390-F429 HydrophobicContact CG2-CZ 4.01Å; V390-F429 PolarHBondContact N-O 3.32Å; V390-F429 PolarHBondContact O-N 3.09Å; V390-F474 HydrophobicContact CG1-CE2 4.1Å; V390-F474 HydrophobicContact CG1-CZ 3.96Å; V390-F474 HydrophobicContact CG2-CE2 3.97Å; V390-F476 HydrophobicContact CG2-CD1 4.15Å; V390-F476 HydrophobicContact CG2-CE1 4.34Å |
| 391 | Y | 83.6 | Confident | 62.7 | Low | 79 Ų | 79 | 75.9 Ų | 75.9 | 31% | 0.31 | 46% | 0.462 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 143.6 | 176.2 | -62.6 | -84.9 | 0 | 0 | 0 | 110.9 | T389 F406 S407 T410 | T389-Y391 HydrophobicContact CG2-CE1 4.1Å; T389-Y391 HydrophobicContact CG2-CE2 3.97Å; Y391-F406 WeakPolarHBondContact O-CA 3.49Å; Y391-S407 PolarHBondContact N-O 2.72Å; Y391-S407 PolarHBondContact O-N 3.49Å; Y391-T410 HydrophobicContact CD2-CG2 4.27Å; Y391-T410 HydrophobicContact CE1-CG2 3.92Å; Y391-T410 HydrophobicContact CE2-CG2 3.55Å; Y391-T410 WeakPolarHBondContact OH-CG2 3.19Å |
| 392 | M | 83.9 | Confident | 64.9 | Low | 6 Ų | 6 | 72.9 Ų | 72.9 | 3% | 0.03 | 44% | 0.443 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 126.1 | 178.5 | -166.7 | 176.6 | 81.6 | 0 | 0 | 110.3 | Y404 R405 F406 C419 E425 V426 S427 L503 | M392-Y404 HydrophobicContact CE-CD1 4.03Å; M392-Y404 HydrophobicContact CE-CE1 4.21Å; M392-Y404 HydrophobicContact CG-CD1 4.29Å; M392-Y404 HydrophobicContact SD-CD1 4.15Å; M392-R405 WeakPolarHBondContact CA-O 3.43Å; M392-F406 HydrophobicContact CB-CD1 4.36Å; M392-F406 HydrophobicContact CB-CE1 4.25Å; M392-F406 HydrophobicContact CG-CD1 4.1Å; M392-F406 HydrophobicContact CG-CE1 3.64Å; M392-F406 HydrophobicContact CG-CZ 4.17Å; M392-F406 HydrophobicContact SD-CE1 3.57Å; M392-F406 VanDerWaalsContact SD-CE1 3.57Å; M392-F406 HydrophobicContact SD-CZ 3.94Å; M392-C419 HydrophobicContact CE-CB 3.96Å; M392-C419 WeakPolarHBondContact CE-SG 3.32Å; M392-C419 PolarHBondContact O-SG 3.15Å; M392-E425 HydrophobicContact CE-CB 4.36Å; M392-V426 WeakPolarHBondContact CE-O 3.46Å; M392-S427 PolarHBondContact N-O 3.18Å; M392-L503 HydrophobicContact SD-CB 4.21Å |
| 393 | S | 84.9 | Confident | 67.2 | Low | 6 Ų | 6 | 66.4 Ų | 66.4 | 4% | 0.042 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 151.3 | 176.4 | 56.9 | 0 | 0 | 0 | 0 | 110.7 | Y404 R405 K417 | S393-Y404 CarbonylContact O-C 3.57Å; S393-Y404 WeakPolarHBondContact O-CA 3.49Å; S393-R405 PolarHBondContact N-O 3.29Å; S393-R405 PolarHBondContact O-N 3.22Å; S393-R405 PolarHBondContact OG-O 3.38Å; S393-K417 WeakPolarHBondContact CA-O 3.43Å |
| 394 | K | 83.8 | Confident | 69.6 | Low | 51 Ų | 51 | 59.5 Ų | 59.5 | 22% | 0.222 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 143.7 | -179.4 | 65.1 | 178.5 | 176.8 | -175.4 | 0 | 111.7 | T402 I403 Y404 K417 S420 | K394-T402 HydrophobicContact CB-CG2 4.22Å; K394-I403 WeakPolarHBondContact CA-O 3.3Å; K394-Y404 HydrophobicContact CB-CD1 4.11Å; K394-Y404 HydrophobicContact CB-CE1 4.12Å; K394-K417 PolarHBondContact N-O 2.8Å; K394-K417 PolarHBondContact O-N 3.48Å; K394-S420 PolarHBondContact NZ-OG 3.11Å |
| 395 | L | 79.4 | Confident | 71.8 | Confident | 16 Ų | 16 | 56 Ų | 56 | 8% | 0.084 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 129.8 | 177.9 | -168.7 | 66 | 0 | 0 | 0 | 110.7 | Q397 I403 P415 W416 Y454 | L395-Q397 VanDerWaalsContact C-N 3.3Å; L395-Q397 PolarHBondContact O-N 2.92Å; L395-I403 HydrophobicContact CB-CB 4.28Å; L395-I403 HydrophobicContact CD2-CD1 4.22Å; L395-I403 PolarHBondContact N-O 3.33Å; L395-P415 HydrophobicContact CD1-CB 4.03Å; L395-P415 HydrophobicContact CD1-CG 3.8Å; L395-W416 HydrophobicContact CB-CE3 4.02Å; L395-W416 HydrophobicContact CB-CH2 4.03Å; L395-W416 HydrophobicContact CB-CZ3 3.69Å; L395-W416 HydrophobicContact CD1-CD2 4.11Å; L395-W416 HydrophobicContact CD1-CE3 4.31Å; L395-W416 HydrophobicContact CD1-CH2 4.24Å; L395-W416 HydrophobicContact CD1-CZ2 4.06Å; L395-W416 HydrophobicContact CD1-CZ3 4.38Å; L395-Y454 HydrophobicContact CD2-CD2 4.07Å; L395-Y454 HydrophobicContact CD2-CE2 4.29Å; L395-Y454 HydrophobicContact CD2-CG 4.35Å |
| 396 | A | 63.7 | Low | 73.7 | Confident | 53 Ų | 53 | 50.2 Ų | 50.2 | 44% | 0.438 | 31% | 0.312 | S | S | . | . | trans | -84.2 | 19.5 | -169.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | P415 K417 | A396-P415 PolarHBondContact N-O 3.24Å; A396-K417 HydrophobicContact CB-CD 3.62Å; A396-K417 HydrophobicContact CB-CG 3.95Å | ||
| 397 | Q | 64.7 | Low | 74.7 | Confident | 126 Ų | 126 | 48.8 Ų | 48.8 | 59% | 0.589 | 30% | 0.302 | S | S | * | . | S | Bend | trans | -99.9 | 129.5 | -173.5 | -151.1 | 162.6 | 20 | 0 | 0 | 110.7 | L395 G399 Y454 | L395-Q397 VanDerWaalsContact C-N 3.3Å; L395-Q397 PolarHBondContact O-N 2.92Å; Q397-G399 PolarHBondContact O-N 3.39Å; Q397-Y454 PolarHBondContact OE1-OH 3.41Å |
| 398 | G | 55.1 | Low | 75.2 | Confident | 91 Ų | 91 | 49 Ų | 49 | 94% | 0.938 | 30% | 0.303 | S | S | * | . | trans | -71 | 47.1 | -169.4 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 399 | G | 59 | Low | 75 | Confident | 51 Ų | 51 | 51.2 Ų | 51.2 | 53% | 0.526 | 32% | 0.315 | S | S | . | . | trans | -81.9 | 164.3 | 170.8 | 0 | 0 | 0 | 0 | 0 | 113 | Q397 T401 | Q397-G399 PolarHBondContact O-N 3.39Å; G399-T401 PolarHBondContact O-N 3.23Å | ||
| 400 | S | 57.9 | Low | 74.4 | Confident | 130 Ų | 130 | 53.6 Ų | 53.6 | 91% | 0.909 | 33% | 0.33 | S | S | * | . | S | Bend | trans | -66 | -19 | 179.1 | 62.8 | 0 | 0 | 0 | 0 | 113.9 | ||
| 401 | T | 62.2 | Low | 73.8 | Confident | 72 Ų | 72 | 56.9 Ų | 56.9 | 44% | 0.442 | 35% | 0.352 | S | S | . | . | S | Bend | trans | -120.8 | 121.5 | 177.8 | 49.6 | 0 | 0 | 0 | 0 | 111.1 | G399 | G399-T401 PolarHBondContact O-N 3.23Š|
| 402 | T | 70.2 | Confident | 73.1 | Confident | 63 Ų | 63 | 56.8 Ų | 56.8 | 39% | 0.387 | 36% | 0.357 | S | S | . | . | trans | -81.5 | 124.7 | 177.3 | -46.3 | 0 | 0 | 0 | 0 | 110.2 | K394 Y404 P500 | K394-T402 HydrophobicContact CB-CG2 4.22Å; T402-Y404 HydrophobicContact CG2-CE1 4.41Å; T402-Y404 HydrophobicContact CG2-CE2 4.17Å; T402-Y404 WeakPolarHBondContact O-CE2 3.48Å; T402-P500 WeakPolarHBondContact O-CB 3.39Å; T402-P500 WeakPolarHBondContact O-CG 3.48Å | ||
| 403 | I | 76.1 | Confident | 72.4 | Confident | 31 Ų | 31 | 59.3 Ų | 59.3 | 16% | 0.159 | 37% | 0.373 | C | S | . | . | trans | -91.7 | 130.1 | 177.6 | -56.4 | 175.4 | 0 | 0 | 0 | 109.5 | K394 L395 W416 W457 | K394-I403 WeakPolarHBondContact CA-O 3.3Å; L395-I403 HydrophobicContact CB-CB 4.28Å; L395-I403 HydrophobicContact CD2-CD1 4.22Å; L395-I403 PolarHBondContact N-O 3.33Å; I403-W416 HydrophobicContact CG2-CH2 3.93Å; I403-W416 HydrophobicContact CG2-CZ3 4.3Å; I403-W457 HydrophobicContact CG2-CE3 4.16Å; I403-W457 HydrophobicContact CG2-CZ3 4.32Å | ||
| 404 | Y | 79.8 | Confident | 71.3 | Confident | 16 Ų | 16 | 64.5 Ų | 64.5 | 6% | 0.063 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 141.7 | 176.2 | -60.3 | -88.4 | 0 | 0 | 0 | 110.5 | M392 S393 K394 T402 E425 S501 R502 | M392-Y404 HydrophobicContact CE-CD1 4.03Å; M392-Y404 HydrophobicContact CE-CE1 4.21Å; M392-Y404 HydrophobicContact CG-CD1 4.29Å; M392-Y404 HydrophobicContact SD-CD1 4.15Å; S393-Y404 CarbonylContact O-C 3.57Å; S393-Y404 WeakPolarHBondContact O-CA 3.49Å; K394-Y404 HydrophobicContact CB-CD1 4.11Å; K394-Y404 HydrophobicContact CB-CE1 4.12Å; T402-Y404 HydrophobicContact CG2-CE1 4.41Å; T402-Y404 HydrophobicContact CG2-CE2 4.17Å; T402-Y404 WeakPolarHBondContact O-CE2 3.48Å; Y404-E425 PolarHBondContact OH-OE1 3.27Å; Y404-S501 WeakPolarHBondContact CB-O 3.42Å; Y404-S501 WeakPolarHBondContact CD2-O 3.47Å; Y404-R502 HydrophobicContact CD2-CB 4.29Å; Y404-R502 HydrophobicContact CE1-CG 4.47Å; Y404-R502 HydrophobicContact CE2-CB 3.87Å; Y404-R502 HydrophobicContact CE2-CG 4.05Å |
| 405 | R | 83.4 | Confident | 70.7 | Confident | 57 Ų | 57 | 65.2 Ų | 65.2 | 22% | 0.215 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 131.7 | 175 | 173.8 | -178.9 | -178.4 | -169 | 0.3 | 109.6 | M392 S393 P413 W416 W457 | M392-R405 WeakPolarHBondContact CA-O 3.43Å; S393-R405 PolarHBondContact N-O 3.29Å; S393-R405 PolarHBondContact O-N 3.22Å; S393-R405 PolarHBondContact OG-O 3.38Å; R405-P413 VanDerWaalsContact NH1-CG 3.31Å; R405-W416 HydrophobicContact CB-CD2 4.3Å; R405-W416 HydrophobicContact CB-CE3 3.77Å; R405-W416 HydrophobicContact CB-CH2 3.93Å; R405-W416 HydrophobicContact CB-CZ2 4.41Å; R405-W416 HydrophobicContact CB-CZ3 3.57Å; R405-W457 HydrophobicContact CB-CD2 4.28Å; R405-W457 HydrophobicContact CB-CE3 4.28Å; R405-W457 HydrophobicContact CB-CZ3 4.42Å; R405-W457 HydrophobicContact CG-CD2 4.3Å; R405-W457 HydrophobicContact CG-CH2 4.4Å; R405-W457 HydrophobicContact CG-CZ2 4.01Å |
| 406 | F | 84.9 | Confident | 70.5 | Confident | 1 Ų | 1 | 65.7 Ų | 65.7 | 0% | 0.004 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 131.3 | 174.9 | -57.4 | -85.3 | 0 | 0 | 0 | 109.5 | V390 Y391 M392 V445 F474 S501 L503 | V390-F406 HydrophobicContact CG1-CB 4.2Å; V390-F406 HydrophobicContact CG1-CD1 4.28Å; Y391-F406 WeakPolarHBondContact O-CA 3.49Å; M392-F406 HydrophobicContact CB-CD1 4.36Å; M392-F406 HydrophobicContact CB-CE1 4.25Å; M392-F406 HydrophobicContact CG-CD1 4.1Å; M392-F406 HydrophobicContact CG-CE1 3.64Å; M392-F406 HydrophobicContact CG-CZ 4.17Å; M392-F406 HydrophobicContact SD-CE1 3.57Å; M392-F406 VanDerWaalsContact SD-CE1 3.57Å; M392-F406 HydrophobicContact SD-CZ 3.94Å; F406-V445 HydrophobicContact CB-CG1 4.11Å; F406-V445 HydrophobicContact CB-CG2 4.31Å; F406-F474 HydrophobicContact CB-CZ 4.12Å; F406-S501 WeakPolarHBondContact CE2-OG 3.35Å; F406-L503 HydrophobicContact CE1-CD1 3.69Å; F406-L503 HydrophobicContact CE1-CG 4.44Å; F406-L503 HydrophobicContact CZ-CD1 4.41Å |
| 407 | S | 82.3 | Confident | 71.2 | Confident | 13 Ų | 13 | 69.5 Ų | 69.5 | 9% | 0.091 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 152.4 | 179.4 | 58.2 | 0 | 0 | 0 | 0 | 111.8 | Y391 N409 | Y391-S407 PolarHBondContact N-O 2.72Å; Y391-S407 PolarHBondContact O-N 3.49Å; S407-N409 VanDerWaalsContact C-N 3.35Å; S407-N409 PolarHBondContact OG-O 3.28Å; S407-N409 VanDerWaalsContact OG-O 3.08Å |
| 408 | L | 81.3 | Confident | 71.9 | Confident | 75 Ų | 75 | 67.7 Ų | 67.7 | 39% | 0.393 | 42% | 0.424 | S | S | . | . | S | Bend | trans | -84.4 | -13.9 | 170.7 | -61.4 | 175.3 | 0 | 0 | 0 | 112.4 | L388 V390 F474 | L388-L408 HydrophobicContact CB-CD2 4.23Å; L388-L408 HydrophobicContact CD2-CD1 4.39Å; L388-L408 HydrophobicContact CD2-CD2 4.28Å; V390-L408 HydrophobicContact CG2-CD2 4.08Å; L408-F474 HydrophobicContact CD1-CB 4.19Å; L408-F474 HydrophobicContact CD1-CD1 4.45Å; L408-F474 HydrophobicContact CD1-CD2 4.15Å; L408-F474 HydrophobicContact CD1-CG 4.02Å; L408-F474 HydrophobicContact CD2-CD2 4.05Å; L408-F474 HydrophobicContact CD2-CE2 3.9Å; L408-F474 HydrophobicContact CD2-CZ 4.36Å; L408-F474 HydrophobicContact CG-CD1 4.32Å; L408-F474 HydrophobicContact CG-CD2 4.1Å; L408-F474 HydrophobicContact CG-CE1 4.39Å; L408-F474 HydrophobicContact CG-CE2 4.16Å; L408-F474 HydrophobicContact CG-CG 4.19Å; L408-F474 HydrophobicContact CG-CZ 4.31Å |
| 409 | N | 74.6 | Confident | 72.8 | Confident | 98 Ų | 98 | 63.6 Ų | 63.6 | 52% | 0.524 | 38% | 0.381 | S | S | . | . | S | Bend | trans | -94.4 | 146.3 | 179.1 | -158.3 | -10.6 | 0 | 0 | 0 | 111.4 | S407 S411 | S407-N409 VanDerWaalsContact C-N 3.35Å; S407-N409 PolarHBondContact OG-O 3.28Å; S407-N409 VanDerWaalsContact OG-O 3.08Å; N409-S411 PolarHBondContact ND2-OG 3.02Å |
| 410 | T | 69.7 | Low | 73.1 | Confident | 91 Ų | 91 | 62.9 Ų | 62.9 | 56% | 0.558 | 37% | 0.368 | S | S | * | . | trans | -81.4 | -17.1 | 179.4 | 49.8 | 0 | 0 | 0 | 0 | 113.3 | Y391 I412 | Y391-T410 HydrophobicContact CD2-CG2 4.27Å; Y391-T410 HydrophobicContact CE1-CG2 3.92Å; Y391-T410 HydrophobicContact CE2-CG2 3.55Å; Y391-T410 WeakPolarHBondContact OH-CG2 3.19Å; T410-I412 PolarHBondContact O-N 3.39Å | ||
| 411 | S | 68.6 | Low | 73.2 | Confident | 68 Ų | 68 | 62.2 Ų | 62.2 | 48% | 0.476 | 36% | 0.359 | S | S | . | . | trans | -67.4 | 121.7 | 179.9 | 62.3 | 0 | 0 | 0 | 0 | 111.4 | N409 P413 | N409-S411 PolarHBondContact ND2-OG 3.02Å; S411-P413 VanDerWaalsContact O-CD 3.24Å; S411-P413 WeakPolarHBondContact O-CD 3.41Å | ||
| 412 | I | 70.3 | Confident | 73 | Confident | 78 Ų | 78 | 67.2 Ų | 67.2 | 40% | 0.4 | 38% | 0.377 | S | S | . | . | trans | -106.1 | 97 | 177.8 | -54.9 | 175.2 | 0 | 0 | 0 | 108.4 | T410 W416 V418 | T410-I412 PolarHBondContact O-N 3.39Å; I412-W416 HydrophobicContact CG2-CB 3.66Å; I412-W416 WeakPolarHBondContact CG2-O 3.43Å; I412-V418 HydrophobicContact CD1-CB 4.42Å; I412-V418 HydrophobicContact CD1-CG2 3.29Å | ||
| 413 | P | 68.7 | Low | 72.4 | Confident | 59 Ų | 59 | 72.7 Ų | 72.7 | 38% | 0.383 | 39% | 0.391 | S | S | . | . | trans | -70.7 | 147.8 | 176.8 | 27.8 | -32.5 | 0 | 0 | 0 | 110.9 | R405 S411 W416 | R405-P413 VanDerWaalsContact NH1-CG 3.31Å; S411-P413 VanDerWaalsContact O-CD 3.24Å; S411-P413 WeakPolarHBondContact O-CD 3.41Å; P413-W416 WeakPolarHBondContact O-CB 3.11Å; P413-W416 PolarHBondContact O-N 3.39Å | ||
| 414 | S | 62.2 | Low | 71.8 | Confident | 115 Ų | 115 | 74.6 Ų | 74.6 | 80% | 0.804 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | 131.5 | 168.7 | 54 | 0 | 0 | 0 | 0 | 109.6 | ||
| 415 | P | 69.9 | Low | 71.4 | Confident | 65 Ų | 65 | 74.4 Ų | 74.4 | 42% | 0.422 | 40% | 0.401 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -104.9 | 19.4 | 23.4 | 13.9 | 7.9 | 0 | 0 | 0 | 114.8 | L395 A396 | L395-P415 HydrophobicContact CD1-CB 4.03Å; L395-P415 HydrophobicContact CD1-CG 3.8Å; A396-P415 PolarHBondContact N-O 3.24Å |
| 416 | W | 76 | Confident | 71.1 | Confident | 27 Ų | 27 | 72.3 Ų | 72.3 | 10% | 0.102 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 143.2 | -175.3 | -57.8 | 89.6 | 0 | 0 | 0 | 111.4 | L395 I403 R405 I412 P413 W457 | L395-W416 HydrophobicContact CB-CE3 4.02Å; L395-W416 HydrophobicContact CB-CH2 4.03Å; L395-W416 HydrophobicContact CB-CZ3 3.69Å; L395-W416 HydrophobicContact CD1-CD2 4.11Å; L395-W416 HydrophobicContact CD1-CE3 4.31Å; L395-W416 HydrophobicContact CD1-CH2 4.24Å; L395-W416 HydrophobicContact CD1-CZ2 4.06Å; L395-W416 HydrophobicContact CD1-CZ3 4.38Å; I403-W416 HydrophobicContact CG2-CH2 3.93Å; I403-W416 HydrophobicContact CG2-CZ3 4.3Å; R405-W416 HydrophobicContact CB-CD2 4.3Å; R405-W416 HydrophobicContact CB-CE3 3.77Å; R405-W416 HydrophobicContact CB-CH2 3.93Å; R405-W416 HydrophobicContact CB-CZ2 4.41Å; R405-W416 HydrophobicContact CB-CZ3 3.57Å; I412-W416 HydrophobicContact CG2-CB 3.66Å; I412-W416 WeakPolarHBondContact CG2-O 3.43Å; P413-W416 WeakPolarHBondContact O-CB 3.11Å; P413-W416 PolarHBondContact O-N 3.39Å; W416-W457 HydrophobicContact CH2-CE3 4.11Å; W416-W457 AromaticContact CH2-CH2 3.89Å; W416-W457 HydrophobicContact CH2-CH2 3.89Å; W416-W457 AromaticContact CH2-CZ3 3.35Å; W416-W457 HydrophobicContact CH2-CZ3 3.35Å; W416-W457 AromaticContact CZ2-CH2 3.59Å; W416-W457 HydrophobicContact CZ2-CH2 3.59Å; W416-W457 AromaticContact CZ2-CZ3 3.53Å; W416-W457 HydrophobicContact CZ2-CZ3 3.53Å; W416-W457 HydrophobicContact CZ3-CZ3 4.44Å |
| 417 | K | 79.3 | Confident | 70.9 | Confident | 133 Ų | 133 | 74.7 Ų | 74.7 | 58% | 0.578 | 41% | 0.411 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 155.3 | 175.5 | -69.3 | -176.4 | -177.3 | 178.6 | 0 | 110.4 | S393 K394 A396 | S393-K417 WeakPolarHBondContact CA-O 3.43Å; K394-K417 PolarHBondContact N-O 2.8Å; K394-K417 PolarHBondContact O-N 3.48Å; A396-K417 HydrophobicContact CB-CD 3.62Å; A396-K417 HydrophobicContact CB-CG 3.95Å |
| 418 | V | 78.8 | Confident | 70.9 | Confident | 87 Ų | 87 | 75.7 Ų | 75.7 | 53% | 0.527 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.3 | 141.6 | 172.4 | -175.4 | 0 | 0 | 0 | 0 | 109.5 | I412 S420 | I412-V418 HydrophobicContact CD1-CB 4.42Å; I412-V418 HydrophobicContact CD1-CG2 3.29Å; V418-S420 PolarHBondContact O-N 2.88Å |
| 419 | C | 73.4 | Confident | 71.1 | Confident | 6 Ų | 6 | 72.3 Ų | 72.3 | 4% | 0.041 | 40% | 0.4 | C | S | . | . | P | Polyproline II helix | trans | -67.4 | 131.9 | 173.9 | -58.3 | 0 | 0 | 0 | 0 | 110.2 | M392 E425 | M392-C419 HydrophobicContact CE-CB 3.96Å; M392-C419 WeakPolarHBondContact CE-SG 3.32Å; M392-C419 PolarHBondContact O-SG 3.15Å; C419-E425 HydrophobicContact CB-CB 4.42Å |
| 420 | S | 64.9 | Low | 71.6 | Confident | 36 Ų | 36 | 70.3 Ų | 70.3 | 25% | 0.252 | 39% | 0.387 | S | S | . | . | P | Polyproline II helix | trans | -82.4 | 137.8 | -178.2 | 49.7 | 0 | 0 | 0 | 0 | 110.3 | K394 V418 E422 | K394-S420 PolarHBondContact NZ-OG 3.11Å; V418-S420 PolarHBondContact O-N 2.88Å; S420-E422 PolarHBondContact O-N 2.84Å; S420-E422 VanDerWaalsContact O-N 3.16Å |
| 421 | T | 60.6 | Low | 72.2 | Confident | 116 Ų | 116 | 66 Ų | 66 | 71% | 0.712 | 36% | 0.361 | S | S | * | . | G | 310 helix | trans | -69 | -8.9 | 178.6 | 46.7 | 0 | 0 | 0 | 0 | 114.1 | R423 D424 | T421-R423 PolarHBondContact O-N 2.89Å; T421-R423 VanDerWaalsContact O-N 3.14Å; T421-D424 PolarHBondContact O-N 3.31Å |
| 422 | E | 57.1 | Low | 72.9 | Confident | 176 Ų | 176 | 63.8 Ų | 63.8 | 82% | 0.822 | 34% | 0.343 | S | S | * | . | G | 310 helix | trans | -63.3 | -16.3 | -175.4 | -66.4 | 178 | 169.9 | 0 | 0 | 115.3 | S420 | S420-E422 PolarHBondContact O-N 2.84Å; S420-E422 VanDerWaalsContact O-N 3.16Å |
| 423 | R | 57.4 | Low | 73.5 | Confident | 179 Ų | 179 | 61.3 Ų | 61.3 | 68% | 0.675 | 33% | 0.333 | S | S | * | . | G | 310 helix | trans | -123.6 | 32 | -179.9 | -64.9 | -171.6 | -178.3 | -172.6 | -0.2 | 114 | T421 E425 R502 | T421-R423 PolarHBondContact O-N 2.89Å; T421-R423 VanDerWaalsContact O-N 3.14Å; R423-E425 HydrophobicContact CB-CG 4.41Å; R423-E425 PolarHBondContact O-N 2.97Å; R423-E425 VanDerWaalsContact O-N 3.1Å; R423-R502 PolarHBondContact O-NH2 3.42Å |
| 424 | D | 63.8 | Low | 74.1 | Confident | 71 Ų | 71 | 64.5 Ų | 64.5 | 38% | 0.38 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.9 | 27.9 | -175.9 | -68.7 | -28.5 | 0 | 0 | 0 | 113.7 | T421 V505 | T421-D424 PolarHBondContact O-N 3.31Å; D424-V505 PolarHBondContact O-N 2.85Å |
| 425 | E | 72.1 | Confident | 74.9 | Confident | 12 Ų | 12 | 62.6 Ų | 62.6 | 6% | 0.056 | 33% | 0.327 | C | S | . | . | B | Isolated β-bridge | trans | -83.1 | 144.9 | 174.9 | -71.8 | 176.6 | -174.9 | 0 | 0 | 110.9 | M392 Y404 C419 R423 R502 | M392-E425 HydrophobicContact CE-CB 4.36Å; Y404-E425 PolarHBondContact OH-OE1 3.27Å; C419-E425 HydrophobicContact CB-CB 4.42Å; R423-E425 HydrophobicContact CB-CG 4.41Å; R423-E425 PolarHBondContact O-N 2.97Å; R423-E425 VanDerWaalsContact O-N 3.1Å; E425-R502 IonicContact OE1-CZ 3.58Å; E425-R502 VanDerWaalsContact OE1-CZ 3.22Å; E425-R502 IonicContact OE1-NE 2.89Å; E425-R502 PolarHBondContact OE1-NE 3.42Å; E425-R502 IonicContact OE1-NH2 2.9Å; E425-R502 PolarHBondContact OE1-NH2 2.63Å |
| 426 | V | 76.4 | Confident | 75 | Confident | 12 Ų | 12 | 62.5 Ų | 62.5 | 7% | 0.073 | 32% | 0.321 | C | S | . | . | trans | -100.4 | 123.9 | -179.2 | -175.6 | 0 | 0 | 0 | 0 | 109.8 | M392 S428 L489 V505 | M392-V426 WeakPolarHBondContact CE-O 3.46Å; V426-S428 WeakPolarHBondContact CG1-O 3.16Å; V426-L489 HydrophobicContact CG2-CD2 3.77Å; V426-V505 HydrophobicContact CG2-CG2 3.36Å | ||
| 427 | S | 80.4 | Confident | 75.2 | Confident | 51 Ų | 51 | 70 Ų | 70 | 36% | 0.357 | 35% | 0.354 | S | S | . | . | S | Bend | trans | -75.3 | -27.7 | 176.4 | 58.1 | 0 | 0 | 0 | 0 | 113.2 | M392 | M392-S427 PolarHBondContact N-O 3.18Š|
| 428 | S | 84.1 | Confident | 75.1 | Confident | 35 Ų | 35 | 68.1 Ų | 68.1 | 25% | 0.245 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.9 | 154.9 | 173.9 | 60.2 | 0 | 0 | 0 | 0 | 114 | V390 V426 R487 | V390-S428 CarbonylContact O-C 3.52Å; V390-S428 WeakPolarHBondContact O-CA 3.5Å; V390-S428 WeakPolarHBondContact O-CB 3.18Å; V426-S428 WeakPolarHBondContact CG1-O 3.16Å; S428-R487 PolarHBondContact O-NH2 3.27Å |
| 429 | F | 84.8 | Confident | 75.3 | Confident | 4 Ų | 4 | 65 Ų | 65 | 2% | 0.018 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 150 | 174.8 | 66.8 | -88.4 | 0 | 0 | 0 | 115.2 | T389 V390 A431 F476 L489 L503 F524 T526 | T389-F429 CarbonylContact C-O 3.57Å; T389-F429 WeakPolarHBondContact CA-O 3.29Å; V390-F429 HydrophobicContact CB-CD1 4.22Å; V390-F429 HydrophobicContact CB-CD2 4.39Å; V390-F429 HydrophobicContact CB-CE1 3.8Å; V390-F429 HydrophobicContact CB-CE2 4Å; V390-F429 HydrophobicContact CB-CG 4.48Å; V390-F429 HydrophobicContact CB-CZ 3.68Å; V390-F429 HydrophobicContact CG1-CE1 3.81Å; V390-F429 HydrophobicContact CG1-CZ 3.81Å; V390-F429 HydrophobicContact CG2-CE2 4Å; V390-F429 HydrophobicContact CG2-CZ 4.01Å; V390-F429 PolarHBondContact N-O 3.32Å; V390-F429 PolarHBondContact O-N 3.09Å; F429-A431 HydrophobicContact CD2-CB 4.34Å; F429-A431 HydrophobicContact CE2-CB 4.19Å; F429-F476 HydrophobicContact CE2-CD2 4.24Å; F429-F476 HydrophobicContact CE2-CE1 4.32Å; F429-F476 AromaticContact CE2-CE2 3.58Å; F429-F476 HydrophobicContact CE2-CE2 3.58Å; F429-F476 AromaticContact CE2-CZ 3.6Å; F429-F476 HydrophobicContact CE2-CZ 3.6Å; F429-F476 HydrophobicContact CZ-CE1 4.06Å; F429-F476 AromaticContact CZ-CE2 3.98Å; F429-F476 HydrophobicContact CZ-CE2 3.98Å; F429-F476 AromaticContact CZ-CZ 3.49Å; F429-F476 HydrophobicContact CZ-CZ 3.49Å; F429-F476 VanDerWaalsContact CZ-CZ 3.49Å; F429-L489 HydrophobicContact CB-CD1 3.87Å; F429-L489 HydrophobicContact CD1-CD1 4.34Å; F429-L489 HydrophobicContact CD2-CD1 4.4Å; F429-L489 HydrophobicContact CG-CD1 3.97Å; F429-L503 HydrophobicContact CD1-CD1 3.97Å; F429-L503 HydrophobicContact CE1-CD1 3.31Å; F429-L503 HydrophobicContact CZ-CD1 3.98Å; F429-F524 HydrophobicContact CE2-CE2 4.3Å; F429-T526 HydrophobicContact CD2-CG2 3.83Å; F429-T526 HydrophobicContact CE2-CG2 4.47Å |
| 430 | Q | 84.1 | Confident | 75.8 | Confident | 55 Ų | 55 | 69 Ų | 69 | 26% | 0.257 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 138.1 | 175.6 | -69.9 | -174.7 | -12.3 | 0 | 0 | 111 | L387 L388 T526 P527 | L387-Q430 HydrophobicContact CD2-CB 3.89Å; L388-Q430 CarbonylContact O-C 3.56Å; L388-Q430 VanDerWaalsContact O-CA 3.3Å; L388-Q430 WeakPolarHBondContact O-CA 3.24Å; Q430-T526 VanDerWaalsContact O-CB 3.29Å; Q430-T526 WeakPolarHBondContact O-CB 3.22Å; Q430-T526 WeakPolarHBondContact O-CG2 3.23Å; Q430-P527 HydrophobicContact CB-CG 4.21Å; Q430-P527 WeakPolarHBondContact O-CD 3.47Å |
| 431 | A | 83.5 | Confident | 76.6 | Confident | 0 Ų | 0 | 69.1 Ų | 69.1 | 0% | 0 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.8 | 160 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | L387 L388 F429 F476 V478 | L387-A431 CarbonylContact C-O 3.59Å; L388-A431 PolarHBondContact N-O 2.95Å; L388-A431 PolarHBondContact O-N 3.28Å; F429-A431 HydrophobicContact CD2-CB 4.34Å; F429-A431 HydrophobicContact CE2-CB 4.19Å; A431-F476 HydrophobicContact CB-CB 3.83Å; A431-F476 HydrophobicContact CB-CD2 3.45Å; A431-F476 VanDerWaalsContact CB-CD2 3.45Å; A431-F476 HydrophobicContact CB-CE2 4.21Å; A431-F476 HydrophobicContact CB-CG 3.86Å; A431-V478 HydrophobicContact CB-CG1 4.37Å |
| 432 | F | 83.4 | Confident | 77.9 | Confident | 23 Ų | 23 | 68.1 Ų | 68.1 | 10% | 0.101 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 141.5 | -179.7 | -67.8 | -80.7 | 0 | 0 | 0 | 111.3 | L387 H434 Q436 Y439 F476 Y477 P527 | L387-F432 HydrophobicContact CD1-CE1 3.9Å; L387-F432 HydrophobicContact CD1-CZ 4.34Å; L387-F432 HydrophobicContact CD2-CE1 4.16Å; L387-F432 HydrophobicContact CD2-CZ 4.18Å; L387-F432 HydrophobicContact CG-CD1 4.05Å; L387-F432 HydrophobicContact CG-CE1 3.67Å; L387-F432 HydrophobicContact CG-CZ 4.18Å; F432-H434 VanDerWaalsContact C-N 3.32Å; F432-H434 WeakPolarHBondContact CB-O 3.34Å; F432-Q436 HydrophobicContact CD1-CB 4.17Å; F432-Q436 HydrophobicContact CG-CB 4.3Å; F432-Y439 HydrophobicContact CD2-CD1 4.25Å; F432-Y439 HydrophobicContact CD2-CD2 4.13Å; F432-Y439 AromaticContact CD2-CG 3.83Å; F432-Y439 HydrophobicContact CD2-CG 3.83Å; F432-Y439 HydrophobicContact CE2-CD1 4.24Å; F432-Y439 AromaticContact CE2-CD2 3.68Å; F432-Y439 HydrophobicContact CE2-CD2 3.68Å; F432-Y439 HydrophobicContact CE2-CE2 4.01Å; F432-Y439 AromaticContact CE2-CG 3.83Å; F432-Y439 HydrophobicContact CE2-CG 3.83Å; F432-F476 CarbonylContact O-C 3.45Å; F432-F476 WeakPolarHBondContact O-CA 3.2Å; F432-Y477 PolarHBondContact N-O 3.06Å; F432-Y477 PolarHBondContact O-N 3.26Å; F432-P527 HydrophobicContact CE2-CG 3.98Å; F432-P527 HydrophobicContact CZ-CG 4.41Å |
| 433 | S | 81.8 | Confident | 79.3 | Confident | 26 Ų | 26 | 60.4 Ų | 60.4 | 18% | 0.182 | 30% | 0.302 | C | S | . | . | S | Bend | trans | -74.2 | -24.1 | 174.2 | 72.4 | 0 | 0 | 0 | 0 | 113.4 | S386 Y477 | S386-S433 WeakPolarHBondContact CB-OG 3.4Å; S386-S433 PolarHBondContact O-N 2.98Å; S386-S433 PolarHBondContact OG-OG 3.29Å; S433-Y477 WeakPolarHBondContact O-CD2 3.38Å; S433-Y477 WeakPolarHBondContact O-CE2 3.36Å |
| 434 | H | 81.5 | Confident | 80.6 | Confident | 125 Ų | 125 | 51.9 Ų | 51.9 | 58% | 0.579 | 27% | 0.27 | S | S | * | . | S | Bend | trans | -131.7 | 155.6 | -179.3 | -64.6 | -57.2 | 0 | 0 | 0 | 109.9 | F432 Q436 Y477 | F432-H434 VanDerWaalsContact C-N 3.32Å; F432-H434 WeakPolarHBondContact CB-O 3.34Å; H434-Q436 PolarHBondContact O-N 3.26Å; H434-Q436 VanDerWaalsContact O-N 3.14Å; H434-Y477 VanDerWaalsContact C-CD2 3.48Å |
| 435 | P | 79.9 | Confident | 81.8 | Confident | 76 Ų | 76 | 48.5 Ų | 48.5 | 49% | 0.494 | 25% | 0.252 | S | S | . | . | trans | -65 | 117.5 | 179.9 | 25.1 | -29.9 | 0 | 0 | 0 | 109.5 | Y477 | P435-Y477 HydrophobicContact CB-CD1 3.75Å; P435-Y477 HydrophobicContact CB-CE1 3.83Å; P435-Y477 HydrophobicContact CB-CG 4.3Å; P435-Y477 HydrophobicContact CG-CD1 4.38Å; P435-Y477 HydrophobicContact CG-CE1 4Å | ||
| 436 | Q | 72.6 | Confident | 82.4 | Confident | 63 Ų | 63 | 48 Ų | 48 | 29% | 0.294 | 25% | 0.249 | S | C | . | . | B | Isolated β-bridge | trans | -132.6 | 125.3 | -175.6 | -159.7 | 174.7 | 3.2 | 0 | 0 | 110.3 | F432 H434 N438 Y439 | F432-Q436 HydrophobicContact CD1-CB 4.17Å; F432-Q436 HydrophobicContact CG-CB 4.3Å; H434-Q436 PolarHBondContact O-N 3.26Å; H434-Q436 VanDerWaalsContact O-N 3.14Å; Q436-N438 PolarHBondContact O-N 3.14Å; Q436-Y439 PolarHBondContact N-O 3.06Å; Q436-Y439 WeakPolarHBondContact O-CB 3.18Å; Q436-Y439 PolarHBondContact O-N 3.23Å; Q436-Y439 VanDerWaalsContact O-N 3.09Å |
| 437 | K | 78.4 | Confident | 82.9 | Confident | 184 Ų | 184 | 47.9 Ų | 47.9 | 80% | 0.8 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52.4 | -125.7 | -176.1 | -58.1 | -179.7 | -179.8 | 178.6 | 0 | 111.6 | Y439 | K437-Y439 VanDerWaalsContact C-N 3.3Å; K437-Y439 PolarHBondContact O-N 2.84Å |
| 438 | N | 78.8 | Confident | 82.9 | Confident | 94 Ų | 94 | 45.5 Ų | 45.5 | 50% | 0.503 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.9 | 3.5 | -178.3 | -65.3 | -16.9 | 0 | 0 | 0 | 113.6 | Q436 T440 A479 Q483 | Q436-N438 PolarHBondContact O-N 3.14Å; N438-T440 PolarHBondContact O-N 2.95Å; N438-A479 WeakPolarHBondContact O-CB 3.46Å; N438-Q483 VanDerWaalsContact CB-CD 3.47Å; N438-Q483 HydrophobicContact CB-CG 4.22Å; N438-Q483 PolarHBondContact ND2-OE1 3.19Å |
| 439 | Y | 82.7 | Confident | 82.6 | Confident | 20 Ų | 20 | 53.5 Ų | 53.5 | 8% | 0.078 | 26% | 0.257 | C | S | . | . | B | Isolated β-bridge | trans | -95.5 | 74.2 | 176.8 | -62.8 | -97.2 | 0 | 0 | 0 | 110.1 | F432 Q436 K437 Y477 V478 A479 Q483 S486 Y525 | F432-Y439 HydrophobicContact CD2-CD1 4.25Å; F432-Y439 HydrophobicContact CD2-CD2 4.13Å; F432-Y439 AromaticContact CD2-CG 3.83Å; F432-Y439 HydrophobicContact CD2-CG 3.83Å; F432-Y439 HydrophobicContact CE2-CD1 4.24Å; F432-Y439 AromaticContact CE2-CD2 3.68Å; F432-Y439 HydrophobicContact CE2-CD2 3.68Å; F432-Y439 HydrophobicContact CE2-CE2 4.01Å; F432-Y439 AromaticContact CE2-CG 3.83Å; F432-Y439 HydrophobicContact CE2-CG 3.83Å; Q436-Y439 PolarHBondContact N-O 3.06Å; Q436-Y439 WeakPolarHBondContact O-CB 3.18Å; Q436-Y439 PolarHBondContact O-N 3.23Å; Q436-Y439 VanDerWaalsContact O-N 3.09Å; K437-Y439 VanDerWaalsContact C-N 3.3Å; K437-Y439 PolarHBondContact O-N 2.84Å; Y439-Y477 WeakPolarHBondContact O-CB 3.29Å; Y439-V478 CarbonylContact C-O 3.52Å; Y439-V478 WeakPolarHBondContact CA-O 3.49Å; Y439-A479 HydrophobicContact CD1-CB 3.51Å; Y439-A479 VanDerWaalsContact CD1-N 3.3Å; Y439-A479 HydrophobicContact CE1-CB 3.73Å; Y439-A479 HydrophobicContact CG-CB 3.99Å; Y439-Q483 HydrophobicContact CE2-CG 4.36Å; Y439-S486 WeakPolarHBondContact OH-CB 3.49Å; Y439-Y525 WeakPolarHBondContact CE1-O 3.34Å |
| 440 | T | 82.6 | Confident | 81.9 | Confident | 90 Ų | 90 | 59.3 Ų | 59.3 | 55% | 0.552 | 28% | 0.284 | S | S | * | . | trans | -106.2 | -11.8 | -174.5 | 54.7 | 0 | 0 | 0 | 0 | 114.1 | N438 R442 V478 | N438-T440 PolarHBondContact O-N 2.95Å; T440-R442 PolarHBondContact O-N 3.23Å; T440-V478 PolarHBondContact N-O 3.1Å | ||
| 441 | S | 83.3 | Confident | 80.7 | Confident | 39 Ų | 39 | 60.7 Ų | 60.7 | 27% | 0.273 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 116.6 | -179.1 | -54.5 | 0 | 0 | 0 | 0 | 110.4 | Y477 V478 A480 | S441-Y477 WeakPolarHBondContact O-CA 3.27Å; S441-V478 WeakPolarHBondContact CA-O 3.49Å; S441-V478 VanDerWaalsContact CB-O 3.29Å; S441-V478 WeakPolarHBondContact CB-O 3.42Å; S441-V478 PolarHBondContact N-O 3.26Å; S441-V478 WeakPolarHBondContact O-CG2 3.49Å; S441-V478 PolarHBondContact O-N 3.44Å; S441-A480 WeakPolarHBondContact OG-CB 3.29Å |
| 442 | R | 86.7 | Confident | 79.4 | Confident | 95 Ų | 95 | 72 Ų | 72 | 36% | 0.358 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 134.1 | 179.5 | -170.4 | 173.7 | 66.1 | -176.8 | 0 | 111 | T440 S461 Y477 | T440-R442 PolarHBondContact O-N 3.23Å; R442-S461 WeakPolarHBondContact O-CA 3.3Å; R442-Y477 HydrophobicContact CB-CD1 4.14Å; R442-Y477 HydrophobicContact CB-CE1 3.85Å; R442-Y477 HydrophobicContact CG-CE1 4.15Å |
| 443 | M | 86.6 | Confident | 78.1 | Confident | 15 Ų | 15 | 76.2 Ų | 76.2 | 7% | 0.074 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 134.8 | 168.9 | -68.9 | -67.3 | 177.2 | 0 | 0 | 109 | I459 S475 F476 V478 F491 F524 | M443-I459 HydrophobicContact CB-CD1 4.28Å; M443-I459 HydrophobicContact CB-CG1 4.39Å; M443-S475 CarbonylContact O-C 3.42Å; M443-S475 VanDerWaalsContact O-CA 3.24Å; M443-S475 WeakPolarHBondContact O-CA 3.43Å; M443-S475 WeakPolarHBondContact O-CB 3.2Å; M443-F476 HydrophobicContact CB-CD2 4.04Å; M443-F476 HydrophobicContact CB-CE1 4.2Å; M443-F476 HydrophobicContact CB-CE2 3.59Å; M443-F476 HydrophobicContact CB-CZ 3.7Å; M443-F476 HydrophobicContact CG-CE2 4.1Å; M443-F476 HydrophobicContact CG-CZ 4.45Å; M443-F476 PolarHBondContact N-O 2.87Å; M443-F476 PolarHBondContact O-N 3.43Å; M443-V478 HydrophobicContact CE-CG2 4.27Å; M443-V478 HydrophobicContact CG-CG2 3.69Å; M443-F491 HydrophobicContact CE-CE1 3.98Å; M443-F491 HydrophobicContact CE-CZ 4.39Å; M443-F524 HydrophobicContact CE-CB 4.4Å; M443-F524 HydrophobicContact CE-CD1 3.93Å; M443-F524 HydrophobicContact CE-CG 4.45Å |
| 444 | T | 86.1 | Confident | 77.5 | Confident | 0 Ų | 0 | 79 Ų | 79 | 0% | 0 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 129.4 | -175.5 | -47.2 | 0 | 0 | 0 | 0 | 109.4 | I459 T460 G462 Q472 | T444-I459 CarbonylContact O-C 3.6Å; T444-I459 WeakPolarHBondContact O-CA 3.5Å; T444-T460 PolarHBondContact N-O 2.92Å; T444-T460 PolarHBondContact O-N 2.9Å; T444-G462 WeakPolarHBondContact CB-O 3.2Å; T444-G462 PolarHBondContact OG1-O 3.49Å; T444-Q472 HydrophobicContact CG2-CB 4.29Å; T444-Q472 HydrophobicContact CG2-CG 3.58Å |
| 445 | V | 87.4 | Confident | 77.1 | Confident | 0 Ų | 0 | 75 Ų | 75 | 0% | 0 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 121.9 | 171.8 | -179.2 | 0 | 0 | 0 | 0 | 108.5 | F406 M458 I459 E473 F474 F476 | F406-V445 HydrophobicContact CB-CG1 4.11Å; F406-V445 HydrophobicContact CB-CG2 4.31Å; V445-M458 WeakPolarHBondContact CA-O 3.19Å; V445-I459 HydrophobicContact CG2-CG1 4.49Å; V445-E473 PolarHBondContact O-N 3.42Å; V445-F474 HydrophobicContact CB-CD1 4.37Å; V445-F474 HydrophobicContact CB-CE1 4.07Å; V445-F474 HydrophobicContact CB-CE2 4.44Å; V445-F474 HydrophobicContact CB-CZ 4.11Å; V445-F474 HydrophobicContact CG1-CE1 4.18Å; V445-F474 HydrophobicContact CG1-CZ 4.42Å; V445-F474 HydrophobicContact CG2-CD2 4.41Å; V445-F474 HydrophobicContact CG2-CE1 4.17Å; V445-F474 HydrophobicContact CG2-CE2 3.82Å; V445-F474 HydrophobicContact CG2-CZ 3.69Å; V445-F474 PolarHBondContact N-O 2.86Å; V445-F476 HydrophobicContact CG2-CE1 4Å |
| 446 | C | 84.9 | Confident | 76.8 | Confident | 0 Ų | 0 | 71.8 Ų | 71.8 | 0% | 0 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 142.7 | 179.4 | -50 | 0 | 0 | 0 | 0 | 110.4 | W457 M458 C464 W470 T471 | C446-W457 WeakPolarHBondContact O-CA 3.38Å; C446-M458 HydrophobicContact CB-CE 3.57Å; C446-M458 HydrophobicContact CB-CG 3.72Å; C446-M458 PolarHBondContact N-O 3.27Å; C446-M458 PolarHBondContact O-N 3.47Å; C446-C464 VanDerWaalsContact CA-SG 3.59Å; C446-C464 HydrophobicContact CB-CB 3.83Å; C446-C464 WeakPolarHBondContact CB-SG 3.27Å; C446-C464 VanDerWaalsContact SG-CA 3.5Å; C446-C464 WeakPolarHBondContact SG-CB 3.34Å; C446-C464 CovalentContact SG-SG 2.02Å; C446-C464 PolarHBondContact SG-SG 3.09Å; C446-W470 HydrophobicContact CB-CB 4.39Å; C446-W470 HydrophobicContact CB-CE3 3.79Å; C446-T471 CarbonylContact C-O 3.5Å; C446-T471 VanDerWaalsContact CA-O 3.28Å; C446-T471 WeakPolarHBondContact CA-O 3.43Å |
| 447 | V | 86.5 | Confident | 77.1 | Confident | 10 Ų | 10 | 69.4 Ų | 69.4 | 6% | 0.061 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 133.7 | 175.8 | 64.1 | 0 | 0 | 0 | 0 | 110.6 | P455 S456 W457 T471 E473 | V447-P455 HydrophobicContact CG2-CB 4.02Å; V447-S456 CarbonylContact C-O 3.56Å; V447-S456 VanDerWaalsContact CA-O 3.32Å; V447-S456 WeakPolarHBondContact CA-O 3.5Å; V447-W457 HydrophobicContact CG2-CD2 4.36Å; V447-W457 HydrophobicContact CG2-CG 4.42Å; V447-W457 HydrophobicContact CG2-CZ2 4.33Å; V447-T471 WeakPolarHBondContact CG1-OG1 3.48Å; V447-T471 PolarHBondContact N-O 3.26Å; V447-T471 PolarHBondContact O-N 3.09Å; V447-T471 PolarHBondContact O-OG1 3.05Å; V447-E473 HydrophobicContact CG1-CB 4.37Å |
| 448 | S | 81.7 | Confident | 77.1 | Confident | 1 Ų | 1 | 62 Ų | 62 | 1% | 0.007 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 133.9 | 171.5 | 175.9 | 0 | 0 | 0 | 0 | 110.2 | E450 P455 S456 G469 | S448-E450 PolarHBondContact OG-N 3.48Å; S448-P455 WeakPolarHBondContact O-CA 3.38Å; S448-S456 PolarHBondContact N-O 3.35Å; S448-S456 PolarHBondContact O-N 3.01Å; S448-G469 WeakPolarHBondContact CA-O 3.47Å; S448-G469 WeakPolarHBondContact CB-O 3.36Å; S448-G469 PolarHBondContact OG-O 3.34Å |
| 449 | R | 77.6 | Confident | 77.2 | Confident | 204 Ų | 204 | 57.6 Ų | 57.6 | 77% | 0.77 | 27% | 0.265 | S | S | * | . | trans | -111.1 | 3.2 | 177.9 | -62.9 | -177.4 | -177 | -172.5 | 2.2 | 112.8 | P455 | R449-P455 HydrophobicContact CG-CB 4.32Š| ||
| 450 | E | 69.3 | Low | 77.1 | Confident | 125 Ų | 125 | 58.5 Ų | 58.5 | 58% | 0.584 | 27% | 0.273 | S | S | * | . | S | Bend | trans | -72.2 | -29.8 | -175.2 | -100 | 179.2 | 172.9 | 0 | 0 | 113.3 | S448 G469 | S448-E450 PolarHBondContact OG-N 3.48Å; E450-G469 WeakPolarHBondContact OE2-CA 3.48Å |
| 451 | Y | 60 | Low | 76.7 | Confident | 84 Ų | 84 | 57.8 Ų | 57.8 | 33% | 0.329 | 27% | 0.271 | S | S | . | . | S | Bend | trans | -95.4 | 107.5 | -179.9 | -56.4 | -71.8 | 0 | 0 | 0 | 110.4 | Y454 R497 | Y451-Y454 VanDerWaalsContact O-O 3.14Å; Y451-R497 PolarHBondContact OH-NH1 2.8Å |
| 452 | R | 56.1 | Low | 76.3 | Confident | 239 Ų | 239 | 57.3 Ų | 57.3 | 90% | 0.902 | 27% | 0.273 | S | S | * | . | S | Bend | trans | -76.8 | 145 | 174.6 | -69.1 | -150.5 | -164.5 | -172.5 | 8.3 | 110.7 | ||
| 453 | P | 56.3 | Low | 75.8 | Confident | 111 Ų | 111 | 58.6 Ų | 58.6 | 72% | 0.721 | 29% | 0.286 | S | S | * | . | S | Bend | cis | -105.4 | -4.7 | 23.1 | 27.7 | -15.3 | 0 | 0 | 0 | 117 | ||
| 454 | Y | 68.8 | Low | 75.5 | Confident | 84 Ų | 84 | 58.6 Ų | 58.6 | 33% | 0.329 | 29% | 0.287 | S | S | . | . | S | Bend | trans | -132.9 | 149.1 | -179 | -55.7 | -69.3 | 0 | 0 | 0 | 111.8 | L395 Q397 Y451 | L395-Y454 HydrophobicContact CD2-CD2 4.07Å; L395-Y454 HydrophobicContact CD2-CE2 4.29Å; L395-Y454 HydrophobicContact CD2-CG 4.35Å; Q397-Y454 PolarHBondContact OE1-OH 3.41Å; Y451-Y454 VanDerWaalsContact O-O 3.14Å |
| 455 | P | 72.9 | Confident | 75.2 | Confident | 42 Ų | 42 | 61.6 Ų | 61.6 | 27% | 0.273 | 30% | 0.303 | S | S | . | . | trans | -61.4 | 151.4 | 176 | -6.7 | 19.4 | 0 | 0 | 0 | 110.6 | V447 S448 R449 W457 | V447-P455 HydrophobicContact CG2-CB 4.02Å; S448-P455 WeakPolarHBondContact O-CA 3.38Å; R449-P455 HydrophobicContact CG-CB 4.32Å; P455-W457 HydrophobicContact CB-CH2 3.53Å; P455-W457 HydrophobicContact CB-CZ2 3.83Å; P455-W457 HydrophobicContact CB-CZ3 3.9Å; P455-W457 HydrophobicContact CG-CH2 3.57Å; P455-W457 HydrophobicContact CG-CZ2 4.05Å; P455-W457 HydrophobicContact CG-CZ3 4.26Å; P455-W457 VanDerWaalsContact O-CE3 3.31Å; P455-W457 WeakPolarHBondContact O-CZ3 3.44Å | ||
| 456 | S | 73.8 | Confident | 74.7 | Confident | 7 Ų | 7 | 66.4 Ų | 66.4 | 5% | 0.049 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 141.9 | 175.1 | -62 | 0 | 0 | 0 | 0 | 110 | V447 S448 W470 P498 | V447-S456 CarbonylContact C-O 3.56Å; V447-S456 VanDerWaalsContact CA-O 3.32Å; V447-S456 WeakPolarHBondContact CA-O 3.5Å; S448-S456 PolarHBondContact N-O 3.35Å; S448-S456 PolarHBondContact O-N 3.01Å; S456-W470 VanDerWaalsContact O-CZ3 3.31Å; S456-W470 WeakPolarHBondContact O-CZ3 3.47Å; S456-P498 WeakPolarHBondContact OG-CB 3.46Å |
| 457 | W | 79.4 | Confident | 74.2 | Confident | 14 Ų | 14 | 77.1 Ų | 77.1 | 5% | 0.053 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 139 | 179.4 | -67.1 | -96 | 0 | 0 | 0 | 111 | I403 R405 W416 C446 V447 P455 E473 | I403-W457 HydrophobicContact CG2-CE3 4.16Å; I403-W457 HydrophobicContact CG2-CZ3 4.32Å; R405-W457 HydrophobicContact CB-CD2 4.28Å; R405-W457 HydrophobicContact CB-CE3 4.28Å; R405-W457 HydrophobicContact CB-CZ3 4.42Å; R405-W457 HydrophobicContact CG-CD2 4.3Å; R405-W457 HydrophobicContact CG-CH2 4.4Å; R405-W457 HydrophobicContact CG-CZ2 4.01Å; W416-W457 HydrophobicContact CH2-CE3 4.11Å; W416-W457 AromaticContact CH2-CH2 3.89Å; W416-W457 HydrophobicContact CH2-CH2 3.89Å; W416-W457 AromaticContact CH2-CZ3 3.35Å; W416-W457 HydrophobicContact CH2-CZ3 3.35Å; W416-W457 AromaticContact CZ2-CH2 3.59Å; W416-W457 HydrophobicContact CZ2-CH2 3.59Å; W416-W457 AromaticContact CZ2-CZ3 3.53Å; W416-W457 HydrophobicContact CZ2-CZ3 3.53Å; W416-W457 HydrophobicContact CZ3-CZ3 4.44Å; C446-W457 WeakPolarHBondContact O-CA 3.38Å; V447-W457 HydrophobicContact CG2-CD2 4.36Å; V447-W457 HydrophobicContact CG2-CG 4.42Å; V447-W457 HydrophobicContact CG2-CZ2 4.33Å; P455-W457 HydrophobicContact CB-CH2 3.53Å; P455-W457 HydrophobicContact CB-CZ2 3.83Å; P455-W457 HydrophobicContact CB-CZ3 3.9Å; P455-W457 HydrophobicContact CG-CH2 3.57Å; P455-W457 HydrophobicContact CG-CZ2 4.05Å; P455-W457 HydrophobicContact CG-CZ3 4.26Å; P455-W457 VanDerWaalsContact O-CE3 3.31Å; P455-W457 WeakPolarHBondContact O-CZ3 3.44Å; W457-E473 PolarHBondContact NE1-OE2 2.95Å |
| 458 | M | 77.3 | Confident | 73.3 | Confident | 28 Ų | 28 | 81 Ų | 81 | 14% | 0.138 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 156.5 | 173.9 | 70.8 | 176.1 | -175.3 | 0 | 0 | 110.9 | V445 C446 W470 | V445-M458 WeakPolarHBondContact CA-O 3.19Å; C446-M458 HydrophobicContact CB-CE 3.57Å; C446-M458 HydrophobicContact CB-CG 3.72Å; C446-M458 PolarHBondContact N-O 3.27Å; C446-M458 PolarHBondContact O-N 3.47Å; M458-W470 HydrophobicContact CB-CH2 4.05Å; M458-W470 HydrophobicContact CB-CZ3 4.01Å; M458-W470 HydrophobicContact CE-CB 4.05Å; M458-W470 HydrophobicContact CE-CD2 3.55Å; M458-W470 HydrophobicContact CE-CE3 3.83Å; M458-W470 HydrophobicContact CE-CG 3.66Å; M458-W470 HydrophobicContact CE-CZ3 4.5Å; M458-W470 HydrophobicContact CG-CD2 4.31Å; M458-W470 HydrophobicContact CG-CE3 3.76Å; M458-W470 HydrophobicContact CG-CH2 3.9Å; M458-W470 HydrophobicContact CG-CZ2 4.44Å; M458-W470 HydrophobicContact CG-CZ3 3.54Å; M458-W470 HydrophobicContact SD-CD2 3.86Å; M458-W470 HydrophobicContact SD-CE3 3.95Å; M458-W470 HydrophobicContact SD-CH2 4.03Å; M458-W470 HydrophobicContact SD-CZ2 3.96Å; M458-W470 HydrophobicContact SD-CZ3 4.03Å |
| 459 | I | 82.3 | Confident | 73 | Confident | 1 Ų | 1 | 81.8 Ų | 81.8 | 1% | 0.005 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 114.3 | 175.7 | -172.3 | 175.4 | 0 | 0 | 0 | 110.8 | M443 T444 V445 F476 Q493 | M443-I459 HydrophobicContact CB-CD1 4.28Å; M443-I459 HydrophobicContact CB-CG1 4.39Å; T444-I459 CarbonylContact O-C 3.6Å; T444-I459 WeakPolarHBondContact O-CA 3.5Å; V445-I459 HydrophobicContact CG2-CG1 4.49Å; I459-F476 HydrophobicContact CD1-CE1 4.02Å; I459-F476 HydrophobicContact CD1-CZ 3.52Å; I459-Q493 PolarHBondContact O-NE2 3.06Å |
| 460 | T | 78.9 | Confident | 73.2 | Confident | 40 Ų | 40 | 73.6 Ų | 73.6 | 25% | 0.245 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 150.3 | -177.9 | -178.9 | 0 | 0 | 0 | 0 | 111.1 | T444 G462 | T444-T460 PolarHBondContact N-O 2.92Å; T444-T460 PolarHBondContact O-N 2.9Å; T460-G462 PolarHBondContact OG1-N 2.89Å |
| 461 | S | 75.4 | Confident | 73.9 | Confident | 74 Ų | 74 | 71.3 Ų | 71.3 | 52% | 0.517 | 36% | 0.364 | S | S | . | . | S | Bend | trans | -74.6 | -15.4 | 169.9 | 53.2 | 0 | 0 | 0 | 0 | 112.6 | R442 | R442-S461 WeakPolarHBondContact O-CA 3.3Š|
| 462 | G | 73.5 | Confident | 75.2 | Confident | 30 Ų | 30 | 71.9 Ų | 71.9 | 31% | 0.309 | 37% | 0.37 | S | S | . | . | S | Bend | trans | -90.9 | -167.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | T444 T460 | T444-G462 WeakPolarHBondContact CB-O 3.2Å; T444-G462 PolarHBondContact OG1-O 3.49Å; T460-G462 PolarHBondContact OG1-N 2.89Å |
| 463 | L | 76.8 | Confident | 76.5 | Confident | 122 Ų | 122 | 64.6 Ų | 64.6 | 64% | 0.639 | 35% | 0.346 | S | S | * | . | trans | -82.8 | 148.7 | 167 | -71.9 | 158.6 | 0 | 0 | 0 | 109.5 | ||||
| 464 | C | 81.2 | Confident | 78 | Confident | 14 Ų | 14 | 60.4 Ų | 60.4 | 10% | 0.095 | 32% | 0.316 | C | S | . | . | trans | -65.8 | 137.6 | 172.3 | -52 | 0 | 0 | 0 | 0 | 109.6 | C446 P466 W470 Q472 | C446-C464 VanDerWaalsContact CA-SG 3.59Å; C446-C464 HydrophobicContact CB-CB 3.83Å; C446-C464 WeakPolarHBondContact CB-SG 3.27Å; C446-C464 VanDerWaalsContact SG-CA 3.5Å; C446-C464 WeakPolarHBondContact SG-CB 3.34Å; C446-C464 CovalentContact SG-SG 2.02Å; C446-C464 PolarHBondContact SG-SG 3.09Å; C464-P466 WeakPolarHBondContact O-CD 3.27Å; C464-W470 HydrophobicContact CB-CB 4.33Å; C464-Q472 HydrophobicContact CB-CB 4.45Å; C464-Q472 WeakPolarHBondContact SG-CA 3.4Å | ||
| 465 | D | 79.8 | Confident | 78.9 | Confident | 63 Ų | 63 | 57.9 Ų | 57.9 | 34% | 0.337 | 31% | 0.311 | S | S | . | . | trans | -86.5 | 104.8 | 177 | -176.4 | 5.4 | 0 | 0 | 0 | 110.9 | R467 H468 W470 | D465-R467 PolarHBondContact O-N 2.76Å; D465-R467 WeakPolarHBondContact OD1-CB 3.19Å; D465-R467 PolarHBondContact OD1-N 3.02Å; D465-R467 VanDerWaalsContact OD1-N 3.08Å; D465-H468 PolarHBondContact O-N 3.02Å; D465-H468 IonicContact OD2-CE1 4Å; D465-H468 PolarHBondContact OD2-CE1 3.43Å; D465-H468 IonicContact OD2-CG 2.96Å; D465-H468 IonicContact OD2-ND1 3.22Å; D465-H468 PolarHBondContact OD2-ND1 3.04Å; D465-W470 WeakPolarHBondContact O-CB 3.36Å; D465-W470 PolarHBondContact O-N 3.35Å | ||
| 466 | P | 76.9 | Confident | 79.7 | Confident | 102 Ų | 102 | 55.9 Ų | 55.9 | 66% | 0.662 | 30% | 0.298 | S | S | * | . | G | 310 helix | trans | -69.2 | -18.7 | -177.7 | 30 | -35.9 | 0 | 0 | 0 | 113 | C464 H468 G469 W470 | C464-P466 WeakPolarHBondContact O-CD 3.27Å; P466-H468 PolarHBondContact O-N 3.42Å; P466-G469 PolarHBondContact O-N 2.88Å; P466-W470 WeakPolarHBondContact CA-O 3.21Å |
| 467 | R | 74 | Confident | 80.4 | Confident | 225 Ų | 225 | 57.5 Ų | 57.5 | 85% | 0.849 | 30% | 0.304 | S | S | * | . | G | 310 helix | trans | -68.3 | -22.7 | -179.3 | -60.3 | -170.4 | -130.5 | -161.4 | 1.1 | 113.1 | D465 | D465-R467 PolarHBondContact O-N 2.76Å; D465-R467 WeakPolarHBondContact OD1-CB 3.19Å; D465-R467 PolarHBondContact OD1-N 3.02Å; D465-R467 VanDerWaalsContact OD1-N 3.08Å |
| 468 | H | 67.9 | Low | 80.7 | Confident | 92 Ų | 92 | 56.9 Ų | 56.9 | 43% | 0.426 | 30% | 0.301 | S | S | . | . | G | 310 helix | trans | -107.9 | 25.5 | 179.1 | -65.7 | 99.7 | 0 | 0 | 0 | 112.1 | D465 P466 W470 | D465-H468 PolarHBondContact O-N 3.02Å; D465-H468 IonicContact OD2-CE1 4Å; D465-H468 PolarHBondContact OD2-CE1 3.43Å; D465-H468 IonicContact OD2-CG 2.96Å; D465-H468 IonicContact OD2-ND1 3.22Å; D465-H468 PolarHBondContact OD2-ND1 3.04Å; P466-H468 PolarHBondContact O-N 3.42Å; H468-W470 VanDerWaalsContact C-N 3.32Å; H468-W470 VanDerWaalsContact O-CD1 3.27Å; H468-W470 PolarHBondContact O-N 3.28Å |
| 469 | G | 74.4 | Confident | 81.2 | Confident | 17 Ų | 17 | 55.5 Ų | 55.5 | 18% | 0.175 | 29% | 0.294 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 74 | 14 | 175 | 0 | 0 | 0 | 0 | 0 | 115.6 | S448 E450 P466 | S448-G469 WeakPolarHBondContact CA-O 3.47Å; S448-G469 WeakPolarHBondContact CB-O 3.36Å; S448-G469 PolarHBondContact OG-O 3.34Å; E450-G469 WeakPolarHBondContact OE2-CA 3.48Å; P466-G469 PolarHBondContact O-N 2.88Å |
| 470 | W | 82.2 | Confident | 81.1 | Confident | 31 Ų | 31 | 58.8 Ų | 58.8 | 12% | 0.117 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 124.2 | 177.3 | -67.7 | 93.7 | 0 | 0 | 0 | 111.7 | C446 S456 M458 C464 D465 P466 H468 | C446-W470 HydrophobicContact CB-CB 4.39Å; C446-W470 HydrophobicContact CB-CE3 3.79Å; S456-W470 VanDerWaalsContact O-CZ3 3.31Å; S456-W470 WeakPolarHBondContact O-CZ3 3.47Å; M458-W470 HydrophobicContact CB-CH2 4.05Å; M458-W470 HydrophobicContact CB-CZ3 4.01Å; M458-W470 HydrophobicContact CE-CB 4.05Å; M458-W470 HydrophobicContact CE-CD2 3.55Å; M458-W470 HydrophobicContact CE-CE3 3.83Å; M458-W470 HydrophobicContact CE-CG 3.66Å; M458-W470 HydrophobicContact CE-CZ3 4.5Å; M458-W470 HydrophobicContact CG-CD2 4.31Å; M458-W470 HydrophobicContact CG-CE3 3.76Å; M458-W470 HydrophobicContact CG-CH2 3.9Å; M458-W470 HydrophobicContact CG-CZ2 4.44Å; M458-W470 HydrophobicContact CG-CZ3 3.54Å; M458-W470 HydrophobicContact SD-CD2 3.86Å; M458-W470 HydrophobicContact SD-CE3 3.95Å; M458-W470 HydrophobicContact SD-CH2 4.03Å; M458-W470 HydrophobicContact SD-CZ2 3.96Å; M458-W470 HydrophobicContact SD-CZ3 4.03Å; C464-W470 HydrophobicContact CB-CB 4.33Å; D465-W470 WeakPolarHBondContact O-CB 3.36Å; D465-W470 PolarHBondContact O-N 3.35Å; P466-W470 WeakPolarHBondContact CA-O 3.21Å; H468-W470 VanDerWaalsContact C-N 3.32Å; H468-W470 VanDerWaalsContact O-CD1 3.27Å; H468-W470 PolarHBondContact O-N 3.28Å |
| 471 | T | 84.8 | Confident | 81.2 | Confident | 78 Ų | 78 | 59.9 Ų | 59.9 | 48% | 0.479 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 142.7 | 177.6 | 57.2 | 0 | 0 | 0 | 0 | 110.4 | C446 V447 | C446-T471 CarbonylContact C-O 3.5Å; C446-T471 VanDerWaalsContact CA-O 3.28Å; C446-T471 WeakPolarHBondContact CA-O 3.43Å; V447-T471 WeakPolarHBondContact CG1-OG1 3.48Å; V447-T471 PolarHBondContact N-O 3.26Å; V447-T471 PolarHBondContact O-N 3.09Å; V447-T471 PolarHBondContact O-OG1 3.05Å |
| 472 | Q | 85.9 | Confident | 81.4 | Confident | 95 Ų | 95 | 60.6 Ų | 60.6 | 44% | 0.444 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 125.7 | 176.5 | 175.6 | 173.3 | -25.6 | 0 | 0 | 110.2 | T444 C464 | T444-Q472 HydrophobicContact CG2-CB 4.29Å; T444-Q472 HydrophobicContact CG2-CG 3.58Å; C464-Q472 HydrophobicContact CB-CB 4.45Å; C464-Q472 WeakPolarHBondContact SG-CA 3.4Å |
| 473 | E | 84.6 | Confident | 81.7 | Confident | 86 Ų | 86 | 61.5 Ų | 61.5 | 40% | 0.402 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | -53.5 | 175.5 | -163.2 | 173.7 | 171.9 | 0 | 0 | 110.5 | V445 V447 W457 | V445-E473 PolarHBondContact O-N 3.42Å; V447-E473 HydrophobicContact CG1-CB 4.37Å; W457-E473 PolarHBondContact NE1-OE2 2.95Å |
| 474 | F | 87.9 | Confident | 81.3 | Confident | 23 Ų | 23 | 64.9 Ų | 64.9 | 10% | 0.101 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.9 | 163.9 | 172.9 | 62.4 | -84.4 | 0 | 0 | 0 | 111 | V390 F406 L408 V445 F476 | V390-F474 HydrophobicContact CG1-CE2 4.1Å; V390-F474 HydrophobicContact CG1-CZ 3.96Å; V390-F474 HydrophobicContact CG2-CE2 3.97Å; F406-F474 HydrophobicContact CB-CZ 4.12Å; L408-F474 HydrophobicContact CD1-CB 4.19Å; L408-F474 HydrophobicContact CD1-CD1 4.45Å; L408-F474 HydrophobicContact CD1-CD2 4.15Å; L408-F474 HydrophobicContact CD1-CG 4.02Å; L408-F474 HydrophobicContact CD2-CD2 4.05Å; L408-F474 HydrophobicContact CD2-CE2 3.9Å; L408-F474 HydrophobicContact CD2-CZ 4.36Å; L408-F474 HydrophobicContact CG-CD1 4.32Å; L408-F474 HydrophobicContact CG-CD2 4.1Å; L408-F474 HydrophobicContact CG-CE1 4.39Å; L408-F474 HydrophobicContact CG-CE2 4.16Å; L408-F474 HydrophobicContact CG-CG 4.19Å; L408-F474 HydrophobicContact CG-CZ 4.31Å; V445-F474 HydrophobicContact CB-CD1 4.37Å; V445-F474 HydrophobicContact CB-CE1 4.07Å; V445-F474 HydrophobicContact CB-CE2 4.44Å; V445-F474 HydrophobicContact CB-CZ 4.11Å; V445-F474 HydrophobicContact CG1-CE1 4.18Å; V445-F474 HydrophobicContact CG1-CZ 4.42Å; V445-F474 HydrophobicContact CG2-CD2 4.41Å; V445-F474 HydrophobicContact CG2-CE1 4.17Å; V445-F474 HydrophobicContact CG2-CE2 3.82Å; V445-F474 HydrophobicContact CG2-CZ 3.69Å; V445-F474 PolarHBondContact N-O 2.86Å; F474-F476 HydrophobicContact CD2-CD1 4.25Å; F474-F476 AromaticContact CE2-CD1 3.96Å; F474-F476 HydrophobicContact CE2-CD1 3.96Å; F474-F476 HydrophobicContact CE2-CE1 4.32Å |
| 475 | S | 86.6 | Confident | 80.8 | Confident | 31 Ų | 31 | 70.8 Ų | 70.8 | 22% | 0.217 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 150.8 | 175.5 | 59.3 | 0 | 0 | 0 | 0 | 111 | M443 | M443-S475 CarbonylContact O-C 3.42Å; M443-S475 VanDerWaalsContact O-CA 3.24Å; M443-S475 WeakPolarHBondContact O-CA 3.43Å; M443-S475 WeakPolarHBondContact O-CB 3.2Å |
| 476 | F | 89.9 | Confident | 80.8 | Confident | 0 Ų | 0 | 69 Ų | 69 | 0% | 0 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 162.4 | 178.5 | 60.4 | -95.3 | 0 | 0 | 0 | 111 | V390 F429 A431 F432 M443 V445 I459 F474 V478 | V390-F476 HydrophobicContact CG2-CD1 4.15Å; V390-F476 HydrophobicContact CG2-CE1 4.34Å; F429-F476 HydrophobicContact CE2-CD2 4.24Å; F429-F476 HydrophobicContact CE2-CE1 4.32Å; F429-F476 AromaticContact CE2-CE2 3.58Å; F429-F476 HydrophobicContact CE2-CE2 3.58Å; F429-F476 AromaticContact CE2-CZ 3.6Å; F429-F476 HydrophobicContact CE2-CZ 3.6Å; F429-F476 HydrophobicContact CZ-CE1 4.06Å; F429-F476 AromaticContact CZ-CE2 3.98Å; F429-F476 HydrophobicContact CZ-CE2 3.98Å; F429-F476 AromaticContact CZ-CZ 3.49Å; F429-F476 HydrophobicContact CZ-CZ 3.49Å; F429-F476 VanDerWaalsContact CZ-CZ 3.49Å; A431-F476 HydrophobicContact CB-CB 3.83Å; A431-F476 HydrophobicContact CB-CD2 3.45Å; A431-F476 VanDerWaalsContact CB-CD2 3.45Å; A431-F476 HydrophobicContact CB-CE2 4.21Å; A431-F476 HydrophobicContact CB-CG 3.86Å; F432-F476 CarbonylContact O-C 3.45Å; F432-F476 WeakPolarHBondContact O-CA 3.2Å; M443-F476 HydrophobicContact CB-CD2 4.04Å; M443-F476 HydrophobicContact CB-CE1 4.2Å; M443-F476 HydrophobicContact CB-CE2 3.59Å; M443-F476 HydrophobicContact CB-CZ 3.7Å; M443-F476 HydrophobicContact CG-CE2 4.1Å; M443-F476 HydrophobicContact CG-CZ 4.45Å; M443-F476 PolarHBondContact N-O 2.87Å; M443-F476 PolarHBondContact O-N 3.43Å; V445-F476 HydrophobicContact CG2-CE1 4Å; I459-F476 HydrophobicContact CD1-CE1 4.02Å; I459-F476 HydrophobicContact CD1-CZ 3.52Å; F474-F476 HydrophobicContact CD2-CD1 4.25Å; F474-F476 AromaticContact CE2-CD1 3.96Å; F474-F476 HydrophobicContact CE2-CD1 3.96Å; F474-F476 HydrophobicContact CE2-CE1 4.32Å; F476-V478 HydrophobicContact CD2-CG1 3.7Å; F476-V478 HydrophobicContact CE2-CG1 3.63Å |
| 477 | Y | 87.8 | Confident | 81.1 | Confident | 42 Ų | 42 | 67.5 Ų | 67.5 | 17% | 0.165 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 134.9 | -175.3 | -67.7 | -96.6 | 0 | 0 | 0 | 111.2 | F432 S433 H434 P435 Y439 S441 R442 | F432-Y477 PolarHBondContact N-O 3.06Å; F432-Y477 PolarHBondContact O-N 3.26Å; S433-Y477 WeakPolarHBondContact O-CD2 3.38Å; S433-Y477 WeakPolarHBondContact O-CE2 3.36Å; H434-Y477 VanDerWaalsContact C-CD2 3.48Å; P435-Y477 HydrophobicContact CB-CD1 3.75Å; P435-Y477 HydrophobicContact CB-CE1 3.83Å; P435-Y477 HydrophobicContact CB-CG 4.3Å; P435-Y477 HydrophobicContact CG-CD1 4.38Å; P435-Y477 HydrophobicContact CG-CE1 4Å; Y439-Y477 WeakPolarHBondContact O-CB 3.29Å; S441-Y477 WeakPolarHBondContact O-CA 3.27Å; R442-Y477 HydrophobicContact CB-CD1 4.14Å; R442-Y477 HydrophobicContact CB-CE1 3.85Å; R442-Y477 HydrophobicContact CG-CE1 4.15Å |
| 478 | V | 87.6 | Confident | 81.6 | Confident | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 167.6 | -177.5 | -64.8 | 0 | 0 | 0 | 0 | 110.3 | A431 Y439 T440 S441 M443 F476 F524 T526 | A431-V478 HydrophobicContact CB-CG1 4.37Å; Y439-V478 CarbonylContact C-O 3.52Å; Y439-V478 WeakPolarHBondContact CA-O 3.49Å; T440-V478 PolarHBondContact N-O 3.1Å; S441-V478 WeakPolarHBondContact CA-O 3.49Å; S441-V478 VanDerWaalsContact CB-O 3.29Å; S441-V478 WeakPolarHBondContact CB-O 3.42Å; S441-V478 PolarHBondContact N-O 3.26Å; S441-V478 WeakPolarHBondContact O-CG2 3.49Å; S441-V478 PolarHBondContact O-N 3.44Å; M443-V478 HydrophobicContact CE-CG2 4.27Å; M443-V478 HydrophobicContact CG-CG2 3.69Å; F476-V478 HydrophobicContact CD2-CG1 3.7Å; F476-V478 HydrophobicContact CE2-CG1 3.63Å; V478-F524 HydrophobicContact CB-CB 3.99Å; V478-F524 HydrophobicContact CB-CD2 3.77Å; V478-F524 HydrophobicContact CB-CG 4.14Å; V478-F524 HydrophobicContact CG1-CD2 3.55Å; V478-F524 HydrophobicContact CG1-CE2 3.9Å; V478-F524 HydrophobicContact CG1-CG 4.29Å; V478-F524 HydrophobicContact CG2-CB 3.57Å; V478-F524 HydrophobicContact CG2-CD2 3.94Å; V478-F524 HydrophobicContact CG2-CG 3.81Å; V478-T526 HydrophobicContact CG1-CG2 4.13Å |
| 479 | A | 86.9 | Confident | 82.4 | Confident | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 30% | 0.304 | C | S | . | . | B | Isolated β-bridge | trans | -97.7 | 136.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | N438 Y439 Q483 Y525 | N438-A479 WeakPolarHBondContact O-CB 3.46Å; Y439-A479 HydrophobicContact CD1-CB 3.51Å; Y439-A479 VanDerWaalsContact CD1-N 3.3Å; Y439-A479 HydrophobicContact CE1-CB 3.73Å; Y439-A479 HydrophobicContact CG-CB 3.99Å; A479-Q483 HydrophobicContact CB-CG 3.96Å; A479-Y525 PolarHBondContact N-O 2.91Å; A479-Y525 VanDerWaalsContact N-O 3.17Å; A479-Y525 PolarHBondContact O-N 3.09Å |
| 480 | A | 80.8 | Confident | 82.7 | Confident | 70 Ų | 70 | 58.7 Ų | 58.7 | 58% | 0.579 | 31% | 0.305 | S | S | * | . | S | Bend | trans | -79.5 | -26.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | S441 | S441-A480 WeakPolarHBondContact OG-CB 3.29Š|
| 481 | S | 79.8 | Confident | 82.6 | Confident | 62 Ų | 62 | 58.1 Ų | 58.1 | 43% | 0.434 | 30% | 0.303 | S | S | . | . | S | Bend | trans | -109.5 | 153.2 | 179.8 | 58 | 0 | 0 | 0 | 0 | 111.8 | Q483 Y525 | S481-Q483 PolarHBondContact OG-NE2 3.35Å; S481-Y525 VanDerWaalsContact C-CD2 3.44Å; S481-Y525 WeakPolarHBondContact O-CD2 3.49Å |
| 482 | P | 80.1 | Confident | 82.1 | Confident | 90 Ų | 90 | 55.2 Ų | 55.2 | 58% | 0.584 | 29% | 0.287 | S | S | * | . | trans | -62.1 | 135.9 | 179.5 | 24.5 | -33.1 | 0 | 0 | 0 | 112 | Y525 | P482-Y525 HydrophobicContact CB-CD1 4.25Å; P482-Y525 HydrophobicContact CB-CE1 3.68Å; P482-Y525 HydrophobicContact CB-CE2 4.35Å | ||
| 483 | Q | 79.9 | Confident | 81.4 | Confident | 49 Ų | 49 | 52.2 Ų | 52.2 | 23% | 0.229 | 27% | 0.273 | C | S | . | . | trans | -123.4 | 157.7 | 178.5 | -58.9 | -59.9 | -45.3 | 0 | 0 | 111.1 | N438 Y439 A479 S481 N485 S486 | N438-Q483 VanDerWaalsContact CB-CD 3.47Å; N438-Q483 HydrophobicContact CB-CG 4.22Å; N438-Q483 PolarHBondContact ND2-OE1 3.19Å; Y439-Q483 HydrophobicContact CE2-CG 4.36Å; A479-Q483 HydrophobicContact CB-CG 3.96Å; S481-Q483 PolarHBondContact OG-NE2 3.35Å; Q483-N485 PolarHBondContact O-N 3.08Å; Q483-S486 PolarHBondContact N-OG 2.91Å; Q483-S486 VanDerWaalsContact N-OG 3.13Å; Q483-S486 PolarHBondContact O-N 2.81Å; Q483-S486 PolarHBondContact O-OG 2.8Å | ||
| 484 | Q | 69.1 | Low | 80.6 | Confident | 193 Ų | 193 | 50.1 Ų | 50.1 | 90% | 0.902 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | 131.7 | 171 | -78.9 | -179.4 | -18.2 | 0 | 0 | 110.3 | ||
| 485 | N | 70.1 | Confident | 79.2 | Confident | 138 Ų | 138 | 54.7 Ų | 54.7 | 74% | 0.738 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.2 | 43.9 | -174 | -74.8 | -5.9 | 0 | 0 | 0 | 115.2 | Q483 L528 | Q483-N485 PolarHBondContact O-N 3.08Å; N485-L528 PolarHBondContact O-N 3.37Å |
| 486 | S | 78.9 | Confident | 77.7 | Confident | 25 Ų | 25 | 60.6 Ų | 60.6 | 18% | 0.175 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 143.6 | 173.1 | 70 | 0 | 0 | 0 | 0 | 113.1 | Y439 Q483 T526 | Y439-S486 WeakPolarHBondContact OH-CB 3.49Å; Q483-S486 PolarHBondContact N-OG 2.91Å; Q483-S486 VanDerWaalsContact N-OG 3.13Å; Q483-S486 PolarHBondContact O-N 2.81Å; Q483-S486 PolarHBondContact O-OG 2.8Å; S486-T526 CarbonylContact C-O 3.56Å; S486-T526 WeakPolarHBondContact CA-O 3.02Å; S486-T526 WeakPolarHBondContact CB-O 3.04Å |
| 487 | R | 83.5 | Confident | 76.1 | Confident | 71 Ų | 71 | 68.5 Ų | 68.5 | 27% | 0.268 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 133.2 | 172.8 | 65.7 | -176.4 | -171.4 | 172.9 | 4.8 | 109.2 | S428 Y525 T526 L528 | S428-R487 PolarHBondContact O-NH2 3.27Å; R487-Y525 WeakPolarHBondContact O-CA 3.3Å; R487-T526 WeakPolarHBondContact CG-OG1 3.42Å; R487-T526 PolarHBondContact N-O 2.93Å; R487-T526 PolarHBondContact NE-OG1 2.79Å; R487-T526 PolarHBondContact O-N 3.49Å; R487-T526 PolarHBondContact O-OG1 3.32Å; R487-L528 HydrophobicContact CB-CD1 3.63Å; R487-L528 HydrophobicContact CB-CG 4.29Å; R487-L528 HydrophobicContact CG-CD1 4.26Å |
| 488 | R | 84.8 | Confident | 74.5 | Confident | 101 Ų | 101 | 69.1 Ų | 69.1 | 38% | 0.381 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 127.8 | 176 | -166.3 | 175.8 | -177.3 | -178.9 | -1.2 | 109.5 | Y490 S523 Y525 | R488-Y490 WeakPolarHBondContact CD-OH 3.46Å; R488-Y490 HydrophobicContact CG-CE2 4.21Å; R488-Y490 VanDerWaalsContact CZ-OH 3.25Å; R488-Y490 PolarHBondContact NE-OH 3.39Å; R488-Y490 PolarHBondContact NH1-OH 3Å; R488-S523 PolarHBondContact NE-OG 2.84Å; R488-S523 VanDerWaalsContact NE-OG 3.14Å; R488-S523 PolarHBondContact NH2-OG 3.22Å; R488-Y525 HydrophobicContact CB-CD1 3.86Å; R488-Y525 HydrophobicContact CB-CE1 3.59Å; R488-Y525 WeakPolarHBondContact CD-OH 3.34Å; R488-Y525 HydrophobicContact CG-CD1 4.17Å; R488-Y525 HydrophobicContact CG-CE1 3.71Å; R488-Y525 HydrophobicContact CG-CE2 4.4Å |
| 489 | L | 84.7 | Confident | 73.3 | Confident | 0 Ų | 0 | 71.2 Ų | 71.2 | 0% | 0 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 138.6 | 173.3 | -63.7 | 179.2 | 0 | 0 | 0 | 109.3 | V426 F429 L503 V505 S523 F524 T526 | V426-L489 HydrophobicContact CG2-CD2 3.77Å; F429-L489 HydrophobicContact CB-CD1 3.87Å; F429-L489 HydrophobicContact CD1-CD1 4.34Å; F429-L489 HydrophobicContact CD2-CD1 4.4Å; F429-L489 HydrophobicContact CG-CD1 3.97Å; L489-L503 HydrophobicContact CB-CD2 4.37Å; L489-V505 HydrophobicContact CD2-CG2 4.24Å; L489-S523 CarbonylContact O-C 3.55Å; L489-S523 WeakPolarHBondContact O-CA 3.16Å; L489-S523 WeakPolarHBondContact O-CB 3.42Å; L489-F524 HydrophobicContact CB-CE2 4.15Å; L489-F524 HydrophobicContact CB-CZ 4.29Å; L489-F524 HydrophobicContact CD1-CE2 4.08Å; L489-F524 HydrophobicContact CD1-CZ 4.48Å; L489-F524 PolarHBondContact N-O 2.75Å; L489-F524 PolarHBondContact O-N 2.87Å; L489-T526 HydrophobicContact CD1-CG2 3.94Å |
| 490 | Y | 80.5 | Confident | 72.4 | Confident | 48 Ų | 48 | 72.1 Ų | 72.1 | 19% | 0.188 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 132.6 | 175.1 | -62.6 | -88.5 | 0 | 0 | 0 | 108.5 | R488 L503 C504 V505 T507 G522 | R488-Y490 WeakPolarHBondContact CD-OH 3.46Å; R488-Y490 HydrophobicContact CG-CE2 4.21Å; R488-Y490 VanDerWaalsContact CZ-OH 3.25Å; R488-Y490 PolarHBondContact NE-OH 3.39Å; R488-Y490 PolarHBondContact NH1-OH 3Å; Y490-L503 CarbonylContact O-C 3.53Å; Y490-L503 VanDerWaalsContact O-CA 3.32Å; Y490-L503 WeakPolarHBondContact O-CA 3.36Å; Y490-C504 PolarHBondContact N-O 3.31Å; Y490-C504 PolarHBondContact O-N 2.83Å; Y490-V505 WeakPolarHBondContact CD2-O 3.44Å; Y490-V505 WeakPolarHBondContact CE2-O 3.4Å; Y490-T507 HydrophobicContact CD1-CG2 3.52Å; Y490-T507 HydrophobicContact CD2-CG2 4.14Å; Y490-T507 HydrophobicContact CE1-CG2 3.29Å; Y490-T507 HydrophobicContact CE2-CG2 3.95Å; Y490-T507 HydrophobicContact CG-CG2 3.94Å; Y490-G522 WeakPolarHBondContact CA-O 3.38Å |
| 491 | F | 80.3 | Confident | 72.1 | Confident | 18 Ų | 18 | 68.8 Ų | 68.8 | 8% | 0.079 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 145.9 | 169 | 68.4 | -86.7 | 0 | 0 | 0 | 110.4 | M443 R502 L503 K521 G522 F524 | M443-F491 HydrophobicContact CE-CE1 3.98Å; M443-F491 HydrophobicContact CE-CZ 4.39Å; F491-R502 VanDerWaalsContact CA-O 3.26Å; F491-R502 WeakPolarHBondContact CA-O 3.24Å; F491-L503 HydrophobicContact CB-CD2 3.63Å; F491-L503 HydrophobicContact CB-CG 4.41Å; F491-K521 WeakPolarHBondContact O-CA 3.47Å; F491-G522 VanDerWaalsContact CD1-O 3.24Å; F491-G522 WeakPolarHBondContact CD1-O 3.32Å; F491-G522 VanDerWaalsContact CE1-C 3.41Å; F491-G522 VanDerWaalsContact CE1-CA 3.43Å; F491-G522 PolarHBondContact N-O 3.49Å; F491-G522 PolarHBondContact O-N 3.08Å; F491-G522 VanDerWaalsContact O-N 3.09Å; F491-F524 AromaticContact CD1-CD1 3.67Å; F491-F524 HydrophobicContact CD1-CD1 3.67Å; F491-F524 AromaticContact CD1-CE1 3.67Å; F491-F524 HydrophobicContact CD1-CE1 3.67Å; F491-F524 AromaticContact CE1-CD1 3.95Å; F491-F524 HydrophobicContact CE1-CD1 3.95Å; F491-F524 HydrophobicContact CE1-CE1 4.31Å; F491-F524 HydrophobicContact CG-CE1 4.46Å |
| 492 | A | 73.8 | Confident | 71.9 | Confident | 18 Ų | 18 | 67.7 Ų | 67.7 | 15% | 0.149 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 141.8 | 171.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | R502 L520 K521 | A492-R502 PolarHBondContact N-O 3.18Å; A492-R502 PolarHBondContact O-N 2.85Å; A492-L520 CarbonylContact C-O 3.58Å; A492-L520 WeakPolarHBondContact CA-O 3.29Å; A492-K521 HydrophobicContact CB-CG 4.07Å |
| 493 | Q | 72.6 | Confident | 72 | Confident | 31 Ų | 31 | 63.4 Ų | 63.4 | 15% | 0.145 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 146.4 | 175.7 | -62.8 | -167 | -14.7 | 0 | 0 | 110.6 | I459 L520 | I459-Q493 PolarHBondContact O-NE2 3.06Å; Q493-L520 HydrophobicContact CB-CD2 4.2Å; Q493-L520 PolarHBondContact N-O 2.96Å |
| 494 | C | 66.6 | Low | 71.8 | Confident | 43 Ų | 43 | 61.1 Ų | 61.1 | 29% | 0.291 | 29% | 0.288 | S | S | . | . | trans | -81.2 | 146.5 | 174.3 | -168.2 | 0 | 0 | 0 | 0 | 111.1 | H499 | C494-H499 VanDerWaalsContact O-CB 3.23Å; C494-H499 WeakPolarHBondContact O-CB 3.45Å; C494-H499 PolarHBondContact O-ND1 3.36Å | ||
| 495 | H | 58.2 | Low | 72.1 | Confident | 118 Ų | 118 | 55 Ų | 55 | 55% | 0.546 | 26% | 0.264 | S | S | . | . | S | Bend | trans | -89.6 | -5.3 | -179.2 | -148.1 | -40 | 0 | 0 | 0 | 114 | H499 L520 | H495-H499 PolarHBondContact O-CE1 2.77Å; H495-L520 HydrophobicContact CB-CD1 4.34Å; H495-L520 WeakPolarHBondContact CD2-CD1 3.41Å |
| 496 | Q | 56.2 | Low | 72.2 | Confident | 155 Ų | 155 | 54.3 Ų | 54.3 | 72% | 0.724 | 25% | 0.254 | S | S | * | . | S | Bend | trans | -107.1 | 129.3 | 179.9 | -75.6 | -177.6 | -9.2 | 0 | 0 | 112.7 | H499 | Q496-H499 VanDerWaalsContact CA-CE1 3.45Å; Q496-H499 WeakPolarHBondContact CA-CE1 3.5Å; Q496-H499 PolarHBondContact N-CE1 2.89Å; Q496-H499 VanDerWaalsContact N-CE1 3.26Å; Q496-H499 PolarHBondContact N-ND1 3.18Å; Q496-H499 PolarHBondContact O-CE1 2.93Å; Q496-H499 PolarHBondContact O-ND1 2.96Å |
| 497 | R | 55.5 | Low | 71.2 | Confident | 167 Ų | 167 | 57.2 Ų | 57.2 | 63% | 0.63 | 27% | 0.271 | S | S | * | . | S | Bend | trans | -62.6 | 139.8 | -174.9 | -70.6 | -171 | -171.7 | -176.8 | 7 | 109.1 | Y451 H499 | Y451-R497 PolarHBondContact OH-NH1 2.8Å; R497-H499 PolarHBondContact N-CE1 2.02Å; R497-H499 PolarHBondContact N-ND1 2.89Å |
| 498 | P | 55 | Low | 69.7 | Low | 55 Ų | 55 | 59.6 Ų | 59.6 | 36% | 0.357 | 30% | 0.296 | S | S | . | . | S | Bend | cis | -92.7 | 122.4 | 0.1 | 32.8 | -25.8 | 0 | 0 | 0 | 111 | S456 P500 | S456-P498 WeakPolarHBondContact OG-CB 3.46Å; P498-P500 WeakPolarHBondContact O-CD 3.46Å |
| 499 | H | 63 | Low | 68.2 | Low | 44 Ų | 44 | 56.2 Ų | 56.2 | 20% | 0.204 | 29% | 0.293 | C | S | . | . | trans | -75 | 110.7 | -166.1 | -51.7 | -28.4 | 0 | 0 | 0 | 113.8 | C494 H495 Q496 R497 | C494-H499 VanDerWaalsContact O-CB 3.23Å; C494-H499 WeakPolarHBondContact O-CB 3.45Å; C494-H499 PolarHBondContact O-ND1 3.36Å; H495-H499 PolarHBondContact O-CE1 2.77Å; Q496-H499 VanDerWaalsContact CA-CE1 3.45Å; Q496-H499 WeakPolarHBondContact CA-CE1 3.5Å; Q496-H499 PolarHBondContact N-CE1 2.89Å; Q496-H499 VanDerWaalsContact N-CE1 3.26Å; Q496-H499 PolarHBondContact N-ND1 3.18Å; Q496-H499 PolarHBondContact O-CE1 2.93Å; Q496-H499 PolarHBondContact O-ND1 2.96Å; R497-H499 PolarHBondContact N-CE1 2.02Å; R497-H499 PolarHBondContact N-ND1 2.89Å | ||
| 500 | P | 68.2 | Low | 67.2 | Low | 19 Ų | 19 | 57.1 Ų | 57.1 | 12% | 0.123 | 30% | 0.299 | C | S | . | . | trans | -87 | 146.9 | 171 | 35.1 | -29 | 0 | 0 | 0 | 111 | T402 P498 | T402-P500 WeakPolarHBondContact O-CB 3.39Å; T402-P500 WeakPolarHBondContact O-CG 3.48Å; P498-P500 WeakPolarHBondContact O-CD 3.46Å | ||
| 501 | S | 73.3 | Confident | 65.9 | Low | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 139.5 | 173.3 | 57.4 | 0 | 0 | 0 | 0 | 112.4 | Y404 F406 | Y404-S501 WeakPolarHBondContact CB-O 3.42Å; Y404-S501 WeakPolarHBondContact CD2-O 3.47Å; F406-S501 WeakPolarHBondContact CE2-OG 3.35Å |
| 502 | R | 76.6 | Confident | 64.4 | Low | 38 Ų | 38 | 66.2 Ų | 66.2 | 14% | 0.143 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 140.4 | 176.7 | -175.5 | 177.2 | -176.6 | -136 | -14 | 110.3 | Y404 R423 E425 F491 A492 G509 | Y404-R502 HydrophobicContact CD2-CB 4.29Å; Y404-R502 HydrophobicContact CE1-CG 4.47Å; Y404-R502 HydrophobicContact CE2-CB 3.87Å; Y404-R502 HydrophobicContact CE2-CG 4.05Å; R423-R502 PolarHBondContact O-NH2 3.42Å; E425-R502 IonicContact OE1-CZ 3.58Å; E425-R502 VanDerWaalsContact OE1-CZ 3.22Å; E425-R502 IonicContact OE1-NE 2.89Å; E425-R502 PolarHBondContact OE1-NE 3.42Å; E425-R502 IonicContact OE1-NH2 2.9Å; E425-R502 PolarHBondContact OE1-NH2 2.63Å; F491-R502 VanDerWaalsContact CA-O 3.26Å; F491-R502 WeakPolarHBondContact CA-O 3.24Å; A492-R502 PolarHBondContact N-O 3.18Å; A492-R502 PolarHBondContact O-N 2.85Å; R502-G509 PolarHBondContact NH1-O 3.44Å |
| 503 | L | 80.7 | Confident | 62.8 | Low | 1 Ų | 1 | 69 Ų | 69 | 1% | 0.005 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 125.8 | 173.2 | -76.3 | 164.5 | 0 | 0 | 0 | 110.7 | M392 F406 F429 L489 Y490 F491 F524 | M392-L503 HydrophobicContact SD-CB 4.21Å; F406-L503 HydrophobicContact CE1-CD1 3.69Å; F406-L503 HydrophobicContact CE1-CG 4.44Å; F406-L503 HydrophobicContact CZ-CD1 4.41Å; F429-L503 HydrophobicContact CD1-CD1 3.97Å; F429-L503 HydrophobicContact CE1-CD1 3.31Å; F429-L503 HydrophobicContact CZ-CD1 3.98Å; L489-L503 HydrophobicContact CB-CD2 4.37Å; Y490-L503 CarbonylContact O-C 3.53Å; Y490-L503 VanDerWaalsContact O-CA 3.32Å; Y490-L503 WeakPolarHBondContact O-CA 3.36Å; F491-L503 HydrophobicContact CB-CD2 3.63Å; F491-L503 HydrophobicContact CB-CG 4.41Å; L503-F524 HydrophobicContact CD2-CE1 3.74Å; L503-F524 HydrophobicContact CD2-CZ 3.6Å |
| 504 | C | 75.8 | Confident | 61.1 | Low | 1 Ų | 1 | 73.2 Ų | 73.2 | 1% | 0.007 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 153.5 | 177.9 | -46.6 | 0 | 0 | 0 | 0 | 111 | Y490 C510 | Y490-C504 PolarHBondContact N-O 3.31Å; Y490-C504 PolarHBondContact O-N 2.83Å; C504-C510 HydrophobicContact CB-CB 3.98Å; C504-C510 WeakPolarHBondContact CB-SG 3.42Å; C504-C510 WeakPolarHBondContact SG-CB 3.37Å; C504-C510 CovalentContact SG-SG 2.06Å; C504-C510 PolarHBondContact SG-SG 3.48Å |
| 505 | V | 76.8 | Confident | 60 | Low | 65 Ų | 65 | 73.4 Ų | 73.4 | 39% | 0.394 | 42% | 0.415 | S | S | . | . | S | Bend | trans | -81.3 | -33.2 | 172.7 | -176.1 | 0 | 0 | 0 | 0 | 112.2 | D424 V426 L489 Y490 | D424-V505 PolarHBondContact O-N 2.85Å; V426-V505 HydrophobicContact CG2-CG2 3.36Å; L489-V505 HydrophobicContact CD2-CG2 4.24Å; Y490-V505 WeakPolarHBondContact CD2-O 3.44Å; Y490-V505 WeakPolarHBondContact CE2-O 3.4Å |
| 506 | K | 71 | Confident | 59.2 | Low | 122 Ų | 122 | 73.2 Ų | 73.2 | 53% | 0.53 | 42% | 0.424 | S | S | . | . | S | Bend | trans | -125.9 | 146.7 | -177.2 | -61.3 | -179.7 | 179 | 168 | 0 | 112.1 | P508 | K506-P508 VanDerWaalsContact C-CD 3.47Å; K506-P508 HydrophobicContact CB-CG 4.49Å |
| 507 | T | 57.7 | Low | 58.2 | Low | 87 Ų | 87 | 72.8 Ų | 72.8 | 53% | 0.534 | 43% | 0.427 | S | S | . | . | G | 310 helix | trans | -66.5 | -33 | -179.2 | 43.6 | 0 | 0 | 0 | 0 | 116.8 | Y490 G509 C510 | Y490-T507 HydrophobicContact CD1-CG2 3.52Å; Y490-T507 HydrophobicContact CD2-CG2 4.14Å; Y490-T507 HydrophobicContact CE1-CG2 3.29Å; Y490-T507 HydrophobicContact CE2-CG2 3.95Å; Y490-T507 HydrophobicContact CG-CG2 3.94Å; T507-G509 PolarHBondContact O-N 3.33Å; T507-C510 PolarHBondContact O-N 3.27Å |
| 508 | P | 52.1 | Low | 57.8 | Low | 120 Ų | 120 | 67.5 Ų | 67.5 | 78% | 0.779 | 42% | 0.424 | S | S | * | . | G | 310 helix | trans | -73.2 | -7.1 | -178.8 | 27.1 | -30 | 0 | 0 | 0 | 114.1 | K506 | K506-P508 VanDerWaalsContact C-CD 3.47Å; K506-P508 HydrophobicContact CB-CG 4.49Å |
| 509 | G | 54.4 | Low | 57.7 | Low | 31 Ų | 31 | 70.1 Ų | 70.1 | 32% | 0.32 | 44% | 0.441 | S | S | . | . | G | 310 helix | trans | -101.1 | 0.3 | 176 | 0 | 0 | 0 | 0 | 0 | 115.3 | R502 T507 | R502-G509 PolarHBondContact NH1-O 3.44Å; T507-G509 PolarHBondContact O-N 3.33Å |
| 510 | C | 62.4 | Low | 57.4 | Low | 19 Ų | 19 | 70.2 Ų | 70.2 | 13% | 0.128 | 44% | 0.443 | C | S | . | . | trans | -114.4 | 64.1 | -168.8 | -120.9 | 0 | 0 | 0 | 0 | 111.4 | C504 T507 | C504-C510 HydrophobicContact CB-CB 3.98Å; C504-C510 WeakPolarHBondContact CB-SG 3.42Å; C504-C510 WeakPolarHBondContact SG-CB 3.37Å; C504-C510 CovalentContact SG-SG 2.06Å; C504-C510 PolarHBondContact SG-SG 3.48Å; T507-C510 PolarHBondContact O-N 3.27Å | ||
| 511 | G | 54.4 | Low | 57.3 | Low | 51 Ų | 51 | 74.5 Ų | 74.5 | 53% | 0.526 | 46% | 0.46 | S | S | . | . | trans | -123.9 | 144.3 | 167.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 512 | F | 49 | Very low | 57.2 | Low | 205 Ų | 205 | 75.8 Ų | 75.8 | 90% | 0.899 | 47% | 0.473 | S | S | * | . | cis | -115.3 | 149.4 | 47.5 | -70 | -91.6 | 0 | 0 | 0 | 115.5 | ||||
| 513 | S | 39 | Very low | 57.4 | Low | 77 Ų | 77 | 75.7 Ų | 75.7 | 54% | 0.538 | 48% | 0.478 | S | S | . | . | trans | -129 | 153.9 | 175.5 | 133.7 | 0 | 0 | 0 | 0 | 107 | ||||
| 514 | S | 37.6 | Very low | 57.7 | Low | 120 Ų | 120 | 75.7 Ų | 75.7 | 84% | 0.839 | 48% | 0.478 | S | S | * | . | trans | -150.1 | 59.6 | 151.9 | 56.6 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 515 | G | 42.2 | Very low | 58.1 | Low | 47 Ų | 47 | 77 Ų | 77 | 49% | 0.485 | 48% | 0.483 | S | S | . | . | trans | 64.2 | 177.3 | 155 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 516 | P | 42.2 | Very low | 58.6 | Low | 113 Ų | 113 | 74 Ų | 74 | 73% | 0.734 | 46% | 0.464 | S | S | * | . | -106.7 | 128.4 | -82.1 | 35.6 | -27.3 | 0 | 0 | 0 | 109.2 | |||||
| 517 | D | 34.8 | Very low | 59.1 | Low | 146 Ų | 146 | 68.9 Ų | 68.9 | 78% | 0.781 | 44% | 0.444 | S | S | * | . | S | Bend | 178 | 131.3 | 101.1 | -79.1 | -33.7 | 0 | 0 | 0 | 109.2 | |||
| 518 | G | 47.2 | Very low | 59.9 | Low | 57 Ų | 57 | 68.6 Ų | 68.6 | 59% | 0.588 | 44% | 0.439 | S | S | * | . | S | Bend | trans | 101.4 | 166.3 | 171.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | L520 | G518-L520 VanDerWaalsContact C-N 3.27Å; G518-L520 PolarHBondContact O-N 3.42Å |
| 519 | P | 52.7 | Low | 60.5 | Low | 109 Ų | 109 | 65.9 Ų | 65.9 | 71% | 0.708 | 42% | 0.421 | S | S | * | . | trans | -79.9 | 61 | -148.5 | 36.1 | -37.9 | 0 | 0 | 0 | 113.8 | K521 | P519-K521 PolarHBondContact O-N 3.28Š| ||
| 520 | L | 57.4 | Low | 60.2 | Low | 46 Ų | 46 | 70.1 Ų | 70.1 | 24% | 0.241 | 45% | 0.446 | C | S | . | . | S | Bend | trans | -79.6 | -4.2 | 175 | -66.8 | 160.8 | 0 | 0 | 0 | 112.3 | A492 Q493 H495 G518 | A492-L520 CarbonylContact C-O 3.58Å; A492-L520 WeakPolarHBondContact CA-O 3.29Å; Q493-L520 HydrophobicContact CB-CD2 4.2Å; Q493-L520 PolarHBondContact N-O 2.96Å; H495-L520 HydrophobicContact CB-CD1 4.34Å; H495-L520 WeakPolarHBondContact CD2-CD1 3.41Å; G518-L520 VanDerWaalsContact C-N 3.27Å; G518-L520 PolarHBondContact O-N 3.42Å |
| 521 | K | 65.5 | Low | 59 | Low | 110 Ų | 110 | 75.9 Ų | 75.9 | 48% | 0.478 | 48% | 0.475 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 139.9 | 172.6 | -61.6 | -177.6 | -179.4 | -175.7 | 0 | 108.9 | F491 A492 P519 | F491-K521 WeakPolarHBondContact O-CA 3.47Å; A492-K521 HydrophobicContact CB-CG 4.07Å; P519-K521 PolarHBondContact O-N 3.28Å |
| 522 | G | 71.8 | Confident | 57.8 | Low | 26 Ų | 26 | 79.3 Ų | 79.3 | 27% | 0.268 | 49% | 0.491 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.8 | 171 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y490 F491 | Y490-G522 WeakPolarHBondContact CA-O 3.38Å; F491-G522 VanDerWaalsContact CD1-O 3.24Å; F491-G522 WeakPolarHBondContact CD1-O 3.32Å; F491-G522 VanDerWaalsContact CE1-C 3.41Å; F491-G522 VanDerWaalsContact CE1-CA 3.43Å; F491-G522 PolarHBondContact N-O 3.49Å; F491-G522 PolarHBondContact O-N 3.08Å; F491-G522 VanDerWaalsContact O-N 3.09Å |
| 523 | S | 81.3 | Confident | 57 | Low | 36 Ų | 36 | 74.7 Ų | 74.7 | 25% | 0.252 | 48% | 0.484 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 144.2 | 173.1 | 67.9 | 0 | 0 | 0 | 0 | 110.7 | R488 L489 | R488-S523 PolarHBondContact NE-OG 2.84Å; R488-S523 VanDerWaalsContact NE-OG 3.14Å; R488-S523 PolarHBondContact NH2-OG 3.22Å; L489-S523 CarbonylContact O-C 3.55Å; L489-S523 WeakPolarHBondContact O-CA 3.16Å; L489-S523 WeakPolarHBondContact O-CB 3.42Å |
| 524 | F | 85.9 | Confident | 56.7 | Low | 2 Ų | 2 | 76.7 Ų | 76.7 | 1% | 0.009 | 50% | 0.498 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 159.8 | 174 | 58.4 | -96.4 | 0 | 0 | 0 | 110.3 | F429 M443 V478 L489 F491 L503 T526 | F429-F524 HydrophobicContact CE2-CE2 4.3Å; M443-F524 HydrophobicContact CE-CB 4.4Å; M443-F524 HydrophobicContact CE-CD1 3.93Å; M443-F524 HydrophobicContact CE-CG 4.45Å; V478-F524 HydrophobicContact CB-CB 3.99Å; V478-F524 HydrophobicContact CB-CD2 3.77Å; V478-F524 HydrophobicContact CB-CG 4.14Å; V478-F524 HydrophobicContact CG1-CD2 3.55Å; V478-F524 HydrophobicContact CG1-CE2 3.9Å; V478-F524 HydrophobicContact CG1-CG 4.29Å; V478-F524 HydrophobicContact CG2-CB 3.57Å; V478-F524 HydrophobicContact CG2-CD2 3.94Å; V478-F524 HydrophobicContact CG2-CG 3.81Å; L489-F524 HydrophobicContact CB-CE2 4.15Å; L489-F524 HydrophobicContact CB-CZ 4.29Å; L489-F524 HydrophobicContact CD1-CE2 4.08Å; L489-F524 HydrophobicContact CD1-CZ 4.48Å; L489-F524 PolarHBondContact N-O 2.75Å; L489-F524 PolarHBondContact O-N 2.87Å; F491-F524 AromaticContact CD1-CD1 3.67Å; F491-F524 HydrophobicContact CD1-CD1 3.67Å; F491-F524 AromaticContact CD1-CE1 3.67Å; F491-F524 HydrophobicContact CD1-CE1 3.67Å; F491-F524 AromaticContact CE1-CD1 3.95Å; F491-F524 HydrophobicContact CE1-CD1 3.95Å; F491-F524 HydrophobicContact CE1-CE1 4.31Å; F491-F524 HydrophobicContact CG-CE1 4.46Å; L503-F524 HydrophobicContact CD2-CE1 3.74Å; L503-F524 HydrophobicContact CD2-CZ 3.6Å; F524-T526 HydrophobicContact CD2-CG2 3.73Å; F524-T526 HydrophobicContact CE2-CG2 3.53Å |
| 525 | Y | 85.6 | Confident | 56.2 | Low | 29 Ų | 29 | 75.8 Ų | 75.8 | 11% | 0.114 | 50% | 0.498 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 131.4 | -178.7 | -63.8 | -94.9 | 0 | 0 | 0 | 109.9 | Y439 A479 S481 P482 R487 R488 | Y439-Y525 WeakPolarHBondContact CE1-O 3.34Å; A479-Y525 PolarHBondContact N-O 2.91Å; A479-Y525 VanDerWaalsContact N-O 3.17Å; A479-Y525 PolarHBondContact O-N 3.09Å; S481-Y525 VanDerWaalsContact C-CD2 3.44Å; S481-Y525 WeakPolarHBondContact O-CD2 3.49Å; P482-Y525 HydrophobicContact CB-CD1 4.25Å; P482-Y525 HydrophobicContact CB-CE1 3.68Å; P482-Y525 HydrophobicContact CB-CE2 4.35Å; R487-Y525 WeakPolarHBondContact O-CA 3.3Å; R488-Y525 HydrophobicContact CB-CD1 3.86Å; R488-Y525 HydrophobicContact CB-CE1 3.59Å; R488-Y525 WeakPolarHBondContact CD-OH 3.34Å; R488-Y525 HydrophobicContact CG-CD1 4.17Å; R488-Y525 HydrophobicContact CG-CE1 3.71Å; R488-Y525 HydrophobicContact CG-CE2 4.4Å |
| 526 | T | 85.5 | Confident | 55.6 | Low | 0 Ų | 0 | 77.7 Ų | 77.7 | 0% | 0 | 51% | 0.51 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 146.8 | 177.3 | 53.1 | 0 | 0 | 0 | 0 | 110 | F429 Q430 V478 S486 R487 L489 F524 | F429-T526 HydrophobicContact CD2-CG2 3.83Å; F429-T526 HydrophobicContact CE2-CG2 4.47Å; Q430-T526 VanDerWaalsContact O-CB 3.29Å; Q430-T526 WeakPolarHBondContact O-CB 3.22Å; Q430-T526 WeakPolarHBondContact O-CG2 3.23Å; V478-T526 HydrophobicContact CG1-CG2 4.13Å; S486-T526 CarbonylContact C-O 3.56Å; S486-T526 WeakPolarHBondContact CA-O 3.02Å; S486-T526 WeakPolarHBondContact CB-O 3.04Å; R487-T526 WeakPolarHBondContact CG-OG1 3.42Å; R487-T526 PolarHBondContact N-O 2.93Å; R487-T526 PolarHBondContact NE-OG1 2.79Å; R487-T526 PolarHBondContact O-N 3.49Å; R487-T526 PolarHBondContact O-OG1 3.32Å; L489-T526 HydrophobicContact CD1-CG2 3.94Å; F524-T526 HydrophobicContact CD2-CG2 3.73Å; F524-T526 HydrophobicContact CE2-CG2 3.53Å |
| 527 | P | 82.5 | Confident | 55.3 | Low | 16 Ų | 16 | 82.7 Ų | 82.7 | 10% | 0.104 | 52% | 0.52 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.7 | 142.5 | 175.9 | 25.2 | -32.9 | 0 | 0 | 0 | 111.7 | L387 Q430 F432 | L387-P527 HydrophobicContact CD2-CB 4.44Å; L387-P527 HydrophobicContact CD2-CG 3.62Å; Q430-P527 HydrophobicContact CB-CG 4.21Å; Q430-P527 WeakPolarHBondContact O-CD 3.47Å; F432-P527 HydrophobicContact CE2-CG 3.98Å; F432-P527 HydrophobicContact CZ-CG 4.41Å |
| 528 | L | 74.6 | Confident | 54.9 | Low | 81 Ų | 81 | 81.7 Ų | 81.7 | 42% | 0.424 | 52% | 0.519 | S | S | . | . | P | Polyproline II helix | trans | -80.2 | 142.8 | 167.3 | -86.2 | 85.8 | 0 | 0 | 0 | 110.1 | N485 R487 S530 | N485-L528 PolarHBondContact O-N 3.37Å; R487-L528 HydrophobicContact CB-CD1 3.63Å; R487-L528 HydrophobicContact CB-CG 4.29Å; R487-L528 HydrophobicContact CG-CD1 4.26Å; L528-S530 PolarHBondContact O-N 3.06Å |
| 529 | P | 65.1 | Low | 54 | Low | 62 Ų | 62 | 89.2 Ų | 89.2 | 40% | 0.403 | 54% | 0.536 | S | S | . | . | P | Polyproline II helix | trans | -61.7 | 133.1 | 166 | 26.3 | -30 | 0 | 0 | 0 | 109 | D531 | P529-D531 PolarHBondContact O-N 3.41Š|
| 530 | S | 47 | Very low | 52.8 | Low | 121 Ų | 121 | 87.7 Ų | 87.7 | 85% | 0.846 | 53% | 0.532 | S | S | * | . | trans | -68.4 | 100.1 | 175.1 | 48.2 | 0 | 0 | 0 | 0 | 109.6 | L528 S532 | L528-S530 PolarHBondContact O-N 3.06Å; S530-S532 PolarHBondContact O-N 2.99Å | ||
| 531 | D | 37.5 | Very low | 51.6 | Low | 139 Ų | 139 | 89 Ų | 89 | 74% | 0.743 | 55% | 0.545 | S | S | * | . | trans | -67 | 121.9 | 179.2 | -74.8 | -30.1 | 0 | 0 | 0 | 111.5 | P529 | P529-D531 PolarHBondContact O-N 3.41Š| ||
| 532 | S | 30.5 | Very low | 50.3 | Low | 123 Ų | 123 | 94.3 Ų | 94.3 | 86% | 0.86 | 57% | 0.568 | S | S | * | * | trans | -86.6 | 101.4 | 157 | 42.9 | 0 | 0 | 0 | 0 | 108 | S530 S534 | S530-S532 PolarHBondContact O-N 2.99Å; S532-S534 PolarHBondContact O-N 3.19Å | ||
| 533 | S | 31.4 | Very low | 48.6 | Very low | 108 Ų | 108 | 97.7 Ų | 97.7 | 76% | 0.755 | 58% | 0.584 | S | S | * | * | trans | -77.8 | 101.7 | 174.8 | 45.8 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 534 | S | 31.9 | Very low | 46.1 | Very low | 119 Ų | 119 | 100.3 Ų | 100.3 | 83% | 0.832 | 60% | 0.602 | S | S | * | * | trans | 162.5 | 95.7 | 142.4 | 49.9 | 0 | 0 | 0 | 0 | 111.3 | S532 | S532-S534 PolarHBondContact O-N 3.19Š| ||
| 535 | A | 28.6 | Very low | 43.9 | Very low | 101 Ų | 101 | 104 Ų | 104 | 84% | 0.835 | 64% | 0.64 | S | S | * | * | trans | -160.4 | 106.8 | 151 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 536 | A | 28.7 | Very low | 41.8 | Very low | 88 Ų | 88 | 110.3 Ų | 110.3 | 73% | 0.727 | 67% | 0.669 | S | S | * | * | trans | -51.6 | 148.9 | 160.8 | 0 | 0 | 0 | 0 | 0 | 111 | T538 | A536-T538 PolarHBondContact O-N 2.7Å; A536-T538 PolarHBondContact O-OG1 3.23Å | ||
| 537 | K | 35.8 | Very low | 39.9 | Very low | 218 Ų | 218 | 115 Ų | 115 | 95% | 0.948 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -16.6 | 98 | 164.9 | -66.6 | 171.9 | 178.3 | 174.8 | 0 | 114.1 | ||
| 538 | T | 26 | Very low | 38.3 | Very low | 125 Ų | 125 | 118.8 Ų | 118.8 | 77% | 0.767 | 72% | 0.718 | S | S | * | * | trans | -139 | 115.7 | 154.8 | -20.5 | 0 | 0 | 0 | 0 | 106 | A536 A540 | A536-T538 PolarHBondContact O-N 2.7Å; A536-T538 PolarHBondContact O-OG1 3.23Å; T538-A540 VanDerWaalsContact C-N 3.32Å; T538-A540 PolarHBondContact O-N 3.08Å | ||
| 539 | K | 29.6 | Very low | 37.1 | Very low | 215 Ų | 215 | 116.8 Ų | 116.8 | 94% | 0.935 | 71% | 0.711 | S | S | * | * | trans | -65.5 | 97 | 173.6 | -80.6 | -179.9 | 176.5 | 176.9 | 0 | 107.4 | ||||
| 540 | A | 27.4 | Very low | 36.2 | Very low | 76 Ų | 76 | 119.4 Ų | 119.4 | 63% | 0.628 | 73% | 0.731 | S | S | * | * | trans | -65.2 | 134.5 | 169.3 | 0 | 0 | 0 | 0 | 0 | 108.8 | T538 | T538-A540 VanDerWaalsContact C-N 3.32Å; T538-A540 PolarHBondContact O-N 3.08Å | ||
| 541 | S | 31 | Very low | 36.3 | Very low | 75 Ų | 75 | 117.2 Ų | 117.2 | 52% | 0.524 | 73% | 0.727 | S | S | . | * | trans | -55.7 | 147.4 | 173.6 | 83.9 | 0 | 0 | 0 | 0 | 109.7 | T543 S544 | S541-T543 PolarHBondContact O-N 3.26Å; S541-T543 PolarHBondContact OG-OG1 2.88Å; S541-S544 PolarHBondContact O-N 3.18Å | ||
| 542 | K | 37.8 | Very low | 36.8 | Very low | 221 Ų | 221 | 114.3 Ų | 114.3 | 96% | 0.961 | 73% | 0.73 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.1 | 13.4 | 178.3 | -79.2 | -178.9 | 174.5 | 177.8 | 0 | 115 | ||
| 543 | T | 37 | Very low | 37.7 | Very low | 96 Ų | 96 | 112.9 Ų | 112.9 | 59% | 0.589 | 73% | 0.726 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -121 | -3.2 | -177 | 58.1 | 0 | 0 | 0 | 0 | 114.5 | S541 G545 | S541-T543 PolarHBondContact O-N 3.26Å; S541-T543 PolarHBondContact OG-OG1 2.88Å; T543-G545 PolarHBondContact O-N 3.48Å; T543-G545 VanDerWaalsContact O-N 3.08Å |
| 544 | S | 29.8 | Very low | 38.5 | Very low | 92 Ų | 92 | 111.1 Ų | 111.1 | 64% | 0.643 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.9 | 100.7 | 175.3 | 61.7 | 0 | 0 | 0 | 0 | 110.9 | S541 | S541-S544 PolarHBondContact O-N 3.18Š|
| 545 | G | 39.5 | Very low | 39.4 | Very low | 78 Ų | 78 | 108.7 Ų | 108.7 | 80% | 0.804 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 133.1 | -6.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | T543 N547 | T543-G545 PolarHBondContact O-N 3.48Å; T543-G545 VanDerWaalsContact O-N 3.08Å; G545-N547 PolarHBondContact O-N 3.38Å |
| 546 | F | 41 | Very low | 40.3 | Very low | 162 Ų | 162 | 115.3 Ų | 115.3 | 71% | 0.711 | 71% | 0.709 | S | S | * | * | trans | -77.9 | 105 | 172.2 | -173 | -107.2 | 0 | 0 | 0 | 109.6 | P548 | F546-P548 HydrophobicContact CD1-CB 4.33Å; F546-P548 HydrophobicContact CE1-CB 3.75Å; F546-P548 HydrophobicContact CE1-CG 4.39Å; F546-P548 HydrophobicContact CZ-CB 4.39Å; F546-P548 VanDerWaalsContact O-CD 3.32Å; F546-P548 WeakPolarHBondContact O-CD 3.39Å | ||
| 547 | N | 44.8 | Very low | 40.8 | Very low | 99 Ų | 99 | 116.8 Ų | 116.8 | 53% | 0.529 | 71% | 0.712 | S | S | . | * | trans | -95.1 | 103.3 | 166.6 | -174.4 | -3.9 | 0 | 0 | 0 | 108.3 | G545 C549 | G545-N547 PolarHBondContact O-N 3.38Å; N547-C549 PolarHBondContact O-N 3.32Å; N547-C549 WeakPolarHBondContact OD1-CB 3.5Å; N547-C549 PolarHBondContact OD1-N 2.88Å | ||
| 548 | P | 48.5 | Very low | 41.1 | Very low | 95 Ų | 95 | 111.2 Ų | 111.2 | 62% | 0.617 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.5 | -5.1 | 178.8 | 24.7 | -31.2 | 0 | 0 | 0 | 113.3 | F546 | F546-P548 HydrophobicContact CD1-CB 4.33Å; F546-P548 HydrophobicContact CE1-CB 3.75Å; F546-P548 HydrophobicContact CE1-CG 4.39Å; F546-P548 HydrophobicContact CZ-CB 4.39Å; F546-P548 VanDerWaalsContact O-CD 3.32Å; F546-P548 WeakPolarHBondContact O-CD 3.39Å |
| 549 | C | 49.5 | Very low | 41.8 | Very low | 39 Ų | 39 | 109.1 Ų | 109.1 | 26% | 0.264 | 69% | 0.693 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -106.4 | 17.9 | -172.1 | -50.6 | 0 | 0 | 0 | 0 | 114.3 | N547 G551 G552 C554 | N547-C549 PolarHBondContact O-N 3.32Å; N547-C549 WeakPolarHBondContact OD1-CB 3.5Å; N547-C549 PolarHBondContact OD1-N 2.88Å; C549-G551 PolarHBondContact O-N 3.27Å; C549-G552 PolarHBondContact O-N 2.92Å; C549-G552 VanDerWaalsContact O-N 3.11Å; C549-C554 WeakPolarHBondContact CA-SG 3.43Å; C549-C554 HydrophobicContact CB-CB 3.4Å; C549-C554 WeakPolarHBondContact CB-SG 3.47Å; C549-C554 WeakPolarHBondContact SG-CB 3.36Å; C549-C554 CovalentContact SG-SG 1.98Å; C549-C554 PolarHBondContact SG-SG 3.22Å |
| 550 | S | 47.6 | Very low | 42.4 | Very low | 118 Ų | 118 | 103.8 Ų | 103.8 | 83% | 0.825 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62 | -6.4 | -175 | 61 | 0 | 0 | 0 | 0 | 114.9 | ||
| 551 | G | 48.9 | Very low | 43 | Very low | 75 Ų | 75 | 101.5 Ų | 101.5 | 77% | 0.773 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.7 | 9.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 116 | C549 A553 | C549-G551 PolarHBondContact O-N 3.27Å; G551-A553 VanDerWaalsContact C-N 3.3Å; G551-A553 PolarHBondContact O-N 3.31Å |
| 552 | G | 47.2 | Very low | 43.7 | Very low | 77 Ų | 77 | 99.9 Ų | 99.9 | 79% | 0.794 | 63% | 0.631 | S | S | * | * | S | Bend | trans | 78.4 | 0.9 | 171 | 0 | 0 | 0 | 0 | 0 | 116.6 | C549 | C549-G552 PolarHBondContact O-N 2.92Å; C549-G552 VanDerWaalsContact O-N 3.11Å |
| 553 | A | 49.4 | Very low | 44.3 | Very low | 94 Ų | 94 | 92.5 Ų | 92.5 | 78% | 0.777 | 60% | 0.604 | S | S | * | * | trans | -128.3 | 76.1 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | G551 | G551-A553 VanDerWaalsContact C-N 3.3Å; G551-A553 PolarHBondContact O-N 3.31Å | ||
| 554 | C | 48.1 | Very low | 45.1 | Very low | 71 Ų | 71 | 92.4 Ų | 92.4 | 48% | 0.48 | 60% | 0.6 | S | S | . | * | trans | -99.4 | 130.6 | 158.5 | -96.5 | 0 | 0 | 0 | 0 | 109.8 | C549 | C549-C554 WeakPolarHBondContact CA-SG 3.43Å; C549-C554 HydrophobicContact CB-CB 3.4Å; C549-C554 WeakPolarHBondContact CB-SG 3.47Å; C549-C554 WeakPolarHBondContact SG-CB 3.36Å; C549-C554 CovalentContact SG-SG 1.98Å; C549-C554 PolarHBondContact SG-SG 3.22Å | ||
| 555 | G | 51.3 | Low | 46.6 | Very low | 68 Ų | 68 | 89 Ų | 89 | 70% | 0.701 | 58% | 0.576 | S | S | * | * | trans | -61.5 | 179.3 | 164.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 556 | R | 46.5 | Very low | 48.1 | Very low | 239 Ų | 239 | 85.3 Ų | 85.3 | 90% | 0.902 | 54% | 0.537 | S | S | * | . | S | Bend | trans | -52.1 | 144.1 | 173.7 | -65.2 | -179 | -177.7 | -179.2 | 0.7 | 109.9 | A558 | R556-A558 PolarHBondContact O-N 3.3Š|
| 557 | P | 41.1 | Very low | 50 | Low | 119 Ų | 119 | 77.6 Ų | 77.6 | 77% | 0.773 | 50% | 0.504 | S | S | * | . | P | Polyproline II helix | trans | -48.3 | 128.2 | 179.9 | 2.3 | -10.9 | 0 | 0 | 0 | 110.2 | V559 | P557-V559 PolarHBondContact O-N 2.98Š|
| 558 | A | 40.3 | Very low | 51.9 | Low | 101 Ų | 101 | 73.9 Ų | 73.9 | 84% | 0.835 | 48% | 0.483 | S | S | * | . | P | Polyproline II helix | trans | -57.7 | 124.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 107.5 | R556 | R556-A558 PolarHBondContact O-N 3.3Š|
| 559 | V | 41.9 | Very low | 53.9 | Low | 81 Ų | 81 | 69.3 Ų | 69.3 | 49% | 0.491 | 45% | 0.454 | S | S | . | . | P | Polyproline II helix | trans | -65 | 147.2 | -176.3 | -165.7 | 0 | 0 | 0 | 0 | 108.8 | P557 P561 N656 | P557-V559 PolarHBondContact O-N 2.98Å; V559-P561 VanDerWaalsContact O-N 3.13Å; V559-N656 HydrophobicContact CB-CB 4.32Å; V559-N656 HydrophobicContact CG1-CB 3.73Å; V559-N656 VanDerWaalsContact CG1-ND2 3.3Å; V559-N656 WeakPolarHBondContact CG1-ND2 3.2Å |
| 560 | R | 42.4 | Very low | 55.8 | Low | 104 Ų | 104 | 70 Ų | 70 | 39% | 0.392 | 45% | 0.452 | S | S | . | . | trans | -39.4 | 120.7 | 177.7 | 177.8 | -178.9 | 178.1 | 167.1 | 2.5 | 109.5 | L562 | R560-L562 PolarHBondContact O-N 2.92Š| ||
| 561 | P | 40.3 | Very low | 58 | Low | 28 Ų | 28 | 64.4 Ų | 64.4 | 18% | 0.182 | 41% | 0.413 | C | S | . | . | trans | -58.3 | 142.7 | 172 | 23.2 | -30.8 | 0 | 0 | 0 | 108.2 | V559 V563 L658 | V559-P561 VanDerWaalsContact O-N 3.13Å; P561-V563 HydrophobicContact CG-CG2 4.12Å; P561-V563 WeakPolarHBondContact O-CG2 3.4Å; P561-V563 PolarHBondContact O-N 3.32Å; P561-L658 HydrophobicContact CB-CD1 3.98Å; P561-L658 HydrophobicContact CB-CD2 4.24Å; P561-L658 HydrophobicContact CB-CG 4.48Å | ||
| 562 | L | 45.4 | Very low | 60 | Low | 41 Ų | 41 | 61.4 Ų | 61.4 | 22% | 0.215 | 38% | 0.38 | C | S | . | . | trans | -61.5 | 85.2 | 166.4 | -100.6 | 88.2 | 0 | 0 | 0 | 107.7 | R560 D564 M568 N656 | R560-L562 PolarHBondContact O-N 2.92Å; L562-D564 PolarHBondContact O-N 2.98Å; L562-M568 HydrophobicContact CD2-SD 4.47Å; L562-N656 WeakPolarHBondContact CD1-O 3.48Å | ||
| 563 | V | 50.7 | Low | 62.1 | Low | 65 Ų | 65 | 57.8 Ų | 57.8 | 39% | 0.394 | 34% | 0.342 | S | S | . | . | trans | -76.5 | 112 | 164.4 | -155.8 | 0 | 0 | 0 | 0 | 103.1 | P561 T565 | P561-V563 HydrophobicContact CG-CG2 4.12Å; P561-V563 WeakPolarHBondContact O-CG2 3.4Å; P561-V563 PolarHBondContact O-N 3.32Å; V563-T565 HydrophobicContact CB-CG2 3.88Å; V563-T565 HydrophobicContact CG1-CG2 3.79Å; V563-T565 WeakPolarHBondContact O-CB 3.24Å; V563-T565 WeakPolarHBondContact O-CG2 3.31Å; V563-T565 PolarHBondContact O-N 3.31Å; V563-T565 PolarHBondContact O-OG1 3.29Å | ||
| 564 | D | 53.2 | Low | 64 | Low | 94 Ų | 94 | 53.5 Ų | 53.5 | 50% | 0.503 | 31% | 0.307 | S | S | . | . | S | Bend | trans | -65.2 | 52.3 | -170.9 | -160.9 | 17.1 | 0 | 0 | 0 | 112.9 | L562 K687 | L562-D564 PolarHBondContact O-N 2.98Å; D564-K687 PolarHBondContact O-NZ 3.41Å; D564-K687 IonicContact OD1-NZ 3.61Å; D564-K687 PolarHBondContact OD1-NZ 2.7Å; D564-K687 IonicContact OD2-NZ 3.88Å; D564-K687 PolarHBondContact OD2-NZ 3.46Å |
| 565 | T | 60.9 | Low | 65.9 | Low | 21 Ų | 21 | 51.4 Ų | 51.4 | 13% | 0.129 | 29% | 0.291 | C | S | . | . | trans | -94 | -30.2 | -169.2 | 51.6 | 0 | 0 | 0 | 0 | 111.2 | V563 K625 Y686 K687 | V563-T565 HydrophobicContact CB-CG2 3.88Å; V563-T565 HydrophobicContact CG1-CG2 3.79Å; V563-T565 WeakPolarHBondContact O-CB 3.24Å; V563-T565 WeakPolarHBondContact O-CG2 3.31Å; V563-T565 PolarHBondContact O-N 3.31Å; V563-T565 PolarHBondContact O-OG1 3.29Å; T565-K625 PolarHBondContact OG1-NZ 3.27Å; T565-Y686 WeakPolarHBondContact O-CA 3.39Å; T565-K687 PolarHBondContact O-N 3.33Å | ||
| 566 | G | 70.1 | Confident | 67.6 | Low | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 155.1 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112 | T685 K687 | G566-T685 CarbonylContact C-O 3.56Å; G566-T685 VanDerWaalsContact CA-O 3.26Å; G566-T685 WeakPolarHBondContact CA-O 3.4Å; G566-K687 VanDerWaalsContact O-CE 3.25Å; G566-K687 WeakPolarHBondContact O-CE 3.44Å |
| 567 | A | 81.8 | Confident | 69.3 | Low | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 131.8 | 169 | 0 | 0 | 0 | 0 | 0 | 110.2 | S683 T685 H727 | A567-S683 WeakPolarHBondContact O-CA 3.46Å; A567-S683 WeakPolarHBondContact O-CB 3.05Å; A567-S683 PolarHBondContact O-N 3.12Å; A567-T685 PolarHBondContact N-O 3.43Å; A567-H727 HydrophobicContact CB-CB 4.03Å |
| 568 | M | 84.1 | Confident | 71.2 | Confident | 21 Ų | 21 | 39.2 Ų | 39.2 | 10% | 0.103 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 107.2 | 175.1 | -70.8 | -62.1 | -65.5 | 0 | 0 | 109.5 | L562 F570 A680 E682 C725 | L562-M568 HydrophobicContact CD2-SD 4.47Å; M568-F570 HydrophobicContact CB-CE2 4.22Å; M568-F570 HydrophobicContact CB-CZ 4.4Å; M568-A680 HydrophobicContact CE-CB 4.1Å; M568-E682 HydrophobicContact SD-CB 3.72Å; M568-E682 HydrophobicContact SD-CG 3.83Å; M568-C725 PolarHBondContact O-SG 3.24Å |
| 569 | V | 90.4 | Very high | 72.9 | Confident | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 125.5 | -179.8 | -179 | 0 | 0 | 0 | 0 | 109 | F681 W701 Q723 C725 W728 | V569-F681 PolarHBondContact N-O 2.9Å; V569-F681 PolarHBondContact O-N 3.42Å; V569-W701 HydrophobicContact CB-CH2 4.2Å; V569-W701 HydrophobicContact CB-CZ2 4.21Å; V569-W701 HydrophobicContact CB-CZ3 4.37Å; V569-W701 HydrophobicContact CG1-CD2 4.17Å; V569-W701 HydrophobicContact CG1-CE3 3.88Å; V569-W701 HydrophobicContact CG1-CH2 4.29Å; V569-W701 HydrophobicContact CG1-CZ3 3.95Å; V569-W701 HydrophobicContact CG2-CD2 4.31Å; V569-W701 HydrophobicContact CG2-CZ2 4.15Å; V569-Q723 HydrophobicContact CG1-CB 4.15Å; V569-Q723 VanDerWaalsContact CG1-OE1 3.32Å; V569-C725 HydrophobicContact CG2-CB 4.47Å; V569-W728 HydrophobicContact CG2-CZ2 3.68Å |
| 570 | F | 91.1 | Very high | 74.2 | Confident | 53 Ų | 53 | 41.4 Ų | 41.4 | 23% | 0.232 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 131.8 | 176.3 | -61.8 | -85.6 | 0 | 0 | 0 | 109.7 | M568 V572 H664 M679 A680 Q723 T724 | M568-F570 HydrophobicContact CB-CE2 4.22Å; M568-F570 HydrophobicContact CB-CZ 4.4Å; F570-V572 HydrophobicContact CB-CG2 4.33Å; F570-H664 HydrophobicContact CE1-CB 4.23Å; F570-M679 CarbonylContact C-O 3.52Å; F570-M679 WeakPolarHBondContact CA-O 3.38Å; F570-A680 HydrophobicContact CD1-CB 3.82Å; F570-A680 HydrophobicContact CE1-CB 3.7Å; F570-Q723 CarbonylContact O-C 3.58Å; F570-Q723 WeakPolarHBondContact O-CA 3.45Å; F570-T724 HydrophobicContact CB-CG2 4.03Å; F570-T724 PolarHBondContact N-O 2.9Å; F570-T724 PolarHBondContact O-N 2.96Å |
| 571 | V | 92.3 | Very high | 75 | Confident | 1 Ų | 1 | 40.8 Ų | 40.8 | 1% | 0.006 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 117 | 170.6 | -174.5 | 0 | 0 | 0 | 0 | 107.5 | F573 M679 F681 I705 Q723 | V571-F573 HydrophobicContact CB-CE2 4.42Å; V571-F573 HydrophobicContact CG1-CE1 4.37Å; V571-F573 HydrophobicContact CG1-CE2 3.68Å; V571-F573 HydrophobicContact CG1-CZ 3.56Å; V571-M679 PolarHBondContact N-O 2.93Å; V571-M679 PolarHBondContact O-N 3.18Å; V571-F681 HydrophobicContact CB-CE2 4.18Å; V571-F681 HydrophobicContact CG2-CD2 3.91Å; V571-F681 HydrophobicContact CG2-CE2 3.73Å; V571-I705 HydrophobicContact CG2-CD1 3.94Å; V571-Q723 HydrophobicContact CG2-CB 4.38Å |
| 572 | V | 91.4 | Very high | 75.5 | Confident | 12 Ų | 12 | 47.6 Ų | 47.6 | 7% | 0.073 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 136.1 | -168.6 | -175.2 | 0 | 0 | 0 | 0 | 110.2 | F570 I575 L677 G721 F722 T724 | F570-V572 HydrophobicContact CB-CG2 4.33Å; V572-I575 HydrophobicContact CG1-CD1 3.89Å; V572-I575 HydrophobicContact CG1-CG1 4.37Å; V572-L677 WeakPolarHBondContact CA-O 3.41Å; V572-G721 VanDerWaalsContact O-CA 3.25Å; V572-G721 WeakPolarHBondContact O-CA 3.45Å; V572-F722 HydrophobicContact CB-CE1 4.34Å; V572-F722 HydrophobicContact CB-CE2 4.13Å; V572-F722 HydrophobicContact CB-CZ 3.99Å; V572-F722 HydrophobicContact CG1-CE1 4.39Å; V572-F722 HydrophobicContact CG1-CZ 4.08Å; V572-F722 HydrophobicContact CG2-CE2 4.4Å; V572-F722 PolarHBondContact N-O 3.4Å; V572-F722 PolarHBondContact O-N 3.31Å; V572-F722 VanDerWaalsContact O-N 3.09Å; V572-T724 HydrophobicContact CG2-CG2 4.14Å |
| 573 | F | 91.8 | Very high | 75.8 | Confident | 1 Ų | 1 | 51 Ų | 51 | 0% | 0.004 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 151.1 | 178.9 | -56.6 | -83.1 | 0 | 0 | 0 | 111 | V571 F601 L610 I613 W676 L677 M679 L709 L718 | V571-F573 HydrophobicContact CB-CE2 4.42Å; V571-F573 HydrophobicContact CG1-CE1 4.37Å; V571-F573 HydrophobicContact CG1-CE2 3.68Å; V571-F573 HydrophobicContact CG1-CZ 3.56Å; F573-F601 HydrophobicContact CB-CD2 4.4Å; F573-F601 HydrophobicContact CB-CE2 3.71Å; F573-F601 HydrophobicContact CB-CZ 4.22Å; F573-L610 HydrophobicContact CD2-CD2 3.75Å; F573-L610 HydrophobicContact CE2-CD2 3.78Å; F573-L610 HydrophobicContact CG-CD2 4.19Å; F573-L610 HydrophobicContact CZ-CD2 4.25Å; F573-I613 HydrophobicContact CE1-CD1 4.31Å; F573-I613 HydrophobicContact CZ-CD1 4.07Å; F573-W676 VanDerWaalsContact O-CA 3.23Å; F573-W676 WeakPolarHBondContact O-CA 3.5Å; F573-W676 VanDerWaalsContact O-CB 3.24Å; F573-W676 WeakPolarHBondContact O-CB 2.91Å; F573-L677 PolarHBondContact N-O 3.04Å; F573-L677 PolarHBondContact O-N 3.21Å; F573-L677 VanDerWaalsContact O-N 3.08Å; F573-M679 HydrophobicContact CE2-CE 4.48Å; F573-M679 HydrophobicContact CE2-SD 4.37Å; F573-L709 HydrophobicContact CE1-CD2 3.73Å; F573-L709 HydrophobicContact CZ-CD2 4.46Å; F573-L718 HydrophobicContact CB-CD2 4.13Å; F573-L718 HydrophobicContact CD1-CB 4.23Å; F573-L718 HydrophobicContact CD1-CD2 3.68Å; F573-L718 HydrophobicContact CE1-CB 4.31Å; F573-L718 HydrophobicContact CE1-CD2 4.22Å; F573-L718 HydrophobicContact CG-CD2 3.93Å |
| 574 | G | 88.4 | Confident | 75.6 | Confident | 4 Ų | 4 | 59.5 Ų | 59.5 | 4% | 0.041 | 30% | 0.296 | C | S | . | . | S | Bend | trans | 85.4 | 8.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | D598 | G574-D598 PolarHBondContact O-N 3.37Š|
| 575 | I | 89.5 | Confident | 75.1 | Confident | 27 Ų | 27 | 60.9 Ų | 60.9 | 14% | 0.138 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 123.2 | 174.8 | -61.1 | 177.8 | 0 | 0 | 0 | 108.3 | V572 V595 L597 W676 F722 | V572-I575 HydrophobicContact CG1-CD1 3.89Å; V572-I575 HydrophobicContact CG1-CG1 4.37Å; I575-V595 HydrophobicContact CB-CG1 4.29Å; I575-V595 HydrophobicContact CD1-CG1 3.89Å; I575-V595 HydrophobicContact CG1-CG1 3.85Å; I575-V595 HydrophobicContact CG2-CG1 3.57Å; I575-L597 HydrophobicContact CG1-CD2 4.35Å; I575-W676 HydrophobicContact CD1-CB 4.13Å; I575-W676 HydrophobicContact CD1-CD2 4.21Å; I575-W676 HydrophobicContact CD1-CG 4.01Å; I575-W676 HydrophobicContact CG1-CB 3.76Å; I575-W676 HydrophobicContact CG1-CG 4.11Å; I575-F722 HydrophobicContact CB-CE1 4.25Å; I575-F722 HydrophobicContact CG2-CE1 4.41Å |
| 576 | L | 85.5 | Confident | 74.2 | Confident | 82 Ų | 82 | 66.5 Ų | 66.5 | 43% | 0.429 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | -28.3 | 177 | -66.8 | 174.8 | 0 | 0 | 0 | 112.4 | I596 D598 R720 | L576-I596 HydrophobicContact CB-CB 4.48Å; L576-I596 HydrophobicContact CB-CG2 4.17Å; L576-I596 HydrophobicContact CD1-CG2 4.33Å; L576-I596 PolarHBondContact N-O 3.29Å; L576-D598 HydrophobicContact CD1-CB 4.4Å; L576-D598 HydrophobicContact CD2-CB 4.18Å; L576-D598 HydrophobicContact CG-CB 3.96Å; L576-R720 HydrophobicContact CD2-CB 4.47Å |
| 577 | G | 82.5 | Confident | 73 | Confident | 25 Ų | 25 | 69.2 Ų | 69.2 | 26% | 0.258 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 168.5 | -170.7 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | I596 | G577-I596 PolarHBondContact O-N 3.17Å |
| 578 | V | 80.8 | Confident | 71 | Confident | 62 Ų | 62 | 74.4 Ų | 74.4 | 38% | 0.376 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 121.9 | 175 | -179.6 | 0 | 0 | 0 | 0 | 107.5 | R580 M592 S594 | V578-R580 HydrophobicContact CG1-CG 4.15Å; V578-R580 PolarHBondContact O-N 2.9Å; V578-M592 WeakPolarHBondContact CG1-O 3.5Å; V578-S594 CarbonylContact C-O 3.52Å; V578-S594 WeakPolarHBondContact CA-O 3.29Å |
| 579 | N | 75.7 | Confident | 69.1 | Low | 63 Ų | 63 | 80.7 Ų | 80.7 | 34% | 0.337 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 122.3 | 172.2 | -166 | 5.7 | 0 | 0 | 0 | 109.6 | S581 S594 I596 | N579-S581 PolarHBondContact ND2-OG 3.33Å; N579-S581 VanDerWaalsContact ND2-OG 3.15Å; N579-S581 VanDerWaalsContact OD1-CB 3.24Å; N579-S581 WeakPolarHBondContact OD1-CB 3.3Å; N579-S581 PolarHBondContact OD1-N 2.96Å; N579-S581 PolarHBondContact OD1-OG 3.16Å; N579-S594 PolarHBondContact N-O 3.33Å; N579-S594 PolarHBondContact O-N 2.9Å; N579-S594 VanDerWaalsContact O-N 3.12Å; N579-I596 HydrophobicContact CB-CD1 3.9Å; N579-I596 HydrophobicContact CB-CG1 3.88Å |
| 580 | R | 70.1 | Confident | 66.9 | Low | 165 Ų | 165 | 83.7 Ų | 83.7 | 62% | 0.623 | 44% | 0.436 | S | S | * | . | trans | -119.4 | 13.7 | 176.4 | -60.7 | -176.4 | -179.6 | 171.4 | 0.5 | 112.1 | V578 E582 | V578-R580 HydrophobicContact CG1-CG 4.15Å; V578-R580 PolarHBondContact O-N 2.9Å; R580-E582 VanDerWaalsContact C-N 3.3Å; R580-E582 PolarHBondContact O-N 3.26Å | ||
| 581 | S | 58.6 | Low | 65 | Low | 91 Ų | 91 | 86.5 Ų | 86.5 | 64% | 0.636 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.8 | -18.4 | -172.1 | 63.6 | 0 | 0 | 0 | 0 | 114.9 | N579 | N579-S581 PolarHBondContact ND2-OG 3.33Å; N579-S581 VanDerWaalsContact ND2-OG 3.15Å; N579-S581 VanDerWaalsContact OD1-CB 3.24Å; N579-S581 WeakPolarHBondContact OD1-CB 3.3Å; N579-S581 PolarHBondContact OD1-N 2.96Å; N579-S581 PolarHBondContact OD1-OG 3.16Å |
| 582 | E | 52.1 | Low | 63.3 | Low | 172 Ų | 172 | 95 Ų | 95 | 80% | 0.804 | 50% | 0.495 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.4 | -19.8 | -173.6 | -97.1 | -178.8 | 159.4 | 0 | 0 | 114.9 | R580 | R580-E582 VanDerWaalsContact C-N 3.3Å; R580-E582 PolarHBondContact O-N 3.26Å |
| 583 | N | 51.3 | Low | 62.2 | Low | 111 Ų | 111 | 96.4 Ų | 96.4 | 59% | 0.594 | 51% | 0.511 | S | S | * | . | trans | -132.6 | 121.7 | -176 | -77.1 | -19.7 | 0 | 0 | 0 | 112.7 | E585 D591 | N583-E585 VanDerWaalsContact C-N 3.33Å; N583-E585 PolarHBondContact O-N 3.1Å; N583-D591 PolarHBondContact ND2-OD2 2.98Å | ||
| 584 | R | 45.9 | Very low | 61.5 | Low | 244 Ų | 244 | 99.4 Ų | 99.4 | 92% | 0.921 | 53% | 0.532 | S | S | * | . | trans | -83.2 | 4.1 | 180 | -79.9 | -179.1 | 162.7 | -175.8 | -4.6 | 114.4 | N586 | R584-N586 PolarHBondContact O-N 3.38Š| ||
| 585 | E | 43.5 | Very low | 61.3 | Low | 124 Ų | 124 | 102.9 Ų | 102.9 | 58% | 0.579 | 55% | 0.553 | S | S | * | * | trans | -80 | 114.9 | -176.9 | -65.4 | -168.5 | 177.9 | 0 | 0 | 110 | R82 N583 H587 | R82-E585 IonicContact NH2-OE1 3.71Å; R82-E585 PolarHBondContact NH2-OE1 3.4Å; N583-E585 VanDerWaalsContact C-N 3.33Å; N583-E585 PolarHBondContact O-N 3.1Å; E585-H587 PolarHBondContact O-N 3.06Å | ||
| 586 | N | 41.4 | Very low | 61.1 | Low | 138 Ų | 138 | 105.3 Ų | 105.3 | 74% | 0.738 | 57% | 0.565 | S | S | * | * | trans | -67.6 | 31.2 | -172.6 | -72.1 | -29.3 | 0 | 0 | 0 | 115.1 | R584 | R584-N586 PolarHBondContact O-N 3.38Š| ||
| 587 | H | 44.9 | Very low | 61.2 | Low | 58 Ų | 58 | 103.8 Ų | 103.8 | 27% | 0.269 | 56% | 0.557 | S | S | . | * | trans | -120.3 | 94.7 | -179.7 | -88.1 | 23.3 | 0 | 0 | 0 | 111.6 | D158 E585 I589 | D158-H587 IonicContact OD1-CE1 3.47Å; D158-H587 IonicContact OD2-CE1 3.63Å; D158-H587 PolarHBondContact OD2-CE1 2.71Å; D158-H587 IonicContact OD2-NE2 3.94Å; E585-H587 PolarHBondContact O-N 3.06Å; H587-I589 PolarHBondContact O-N 3.15Å | ||
| 588 | V | 40.1 | Very low | 61.5 | Low | 108 Ų | 108 | 102.6 Ų | 102.6 | 66% | 0.655 | 55% | 0.545 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.8 | 14.1 | -178.2 | -173.1 | 0 | 0 | 0 | 0 | 113.4 | ||
| 589 | I | 42.9 | Very low | 61.7 | Low | 153 Ų | 153 | 104 Ų | 104 | 79% | 0.785 | 56% | 0.555 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.2 | -14.3 | -172.4 | -54.4 | 179.7 | 0 | 0 | 0 | 112.7 | H587 | H587-I589 PolarHBondContact O-N 3.15Š|
| 590 | G | 44.4 | Very low | 62.1 | Low | 63 Ų | 63 | 106 Ų | 106 | 65% | 0.649 | 57% | 0.566 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.4 | -38.2 | -177 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||
| 591 | D | 52.4 | Low | 62.9 | Low | 113 Ų | 113 | 98.4 Ų | 98.4 | 60% | 0.604 | 54% | 0.537 | S | S | * | . | trans | -109.2 | 115.8 | -164.2 | -72.6 | -9.5 | 0 | 0 | 0 | 112.2 | N583 G593 | N583-D591 PolarHBondContact ND2-OD2 2.98Å; D591-G593 PolarHBondContact O-N 2.88Å | ||
| 592 | M | 56.5 | Low | 64.2 | Low | 180 Ų | 180 | 96.7 Ų | 96.7 | 89% | 0.887 | 52% | 0.521 | S | S | * | . | trans | -72.3 | -9.5 | -178.7 | -65.8 | -159.6 | -109.2 | 0 | 0 | 113.8 | V578 | V578-M592 WeakPolarHBondContact CG1-O 3.5Š| ||
| 593 | G | 67.9 | Low | 65.7 | Low | 40 Ų | 40 | 89.1 Ų | 89.1 | 41% | 0.412 | 49% | 0.486 | S | S | . | . | trans | 65.4 | 179.1 | -173.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | D591 | D591-G593 PolarHBondContact O-N 2.88Š| ||
| 594 | S | 77.2 | Confident | 67 | Low | 64 Ų | 64 | 91.4 Ų | 91.4 | 45% | 0.448 | 49% | 0.491 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 135.5 | 173.8 | 58.4 | 0 | 0 | 0 | 0 | 110.8 | V578 N579 | V578-S594 CarbonylContact C-O 3.52Å; V578-S594 WeakPolarHBondContact CA-O 3.29Å; N579-S594 PolarHBondContact N-O 3.33Å; N579-S594 PolarHBondContact O-N 2.9Å; N579-S594 VanDerWaalsContact O-N 3.12Å |
| 595 | V | 83.2 | Confident | 68.8 | Low | 77 Ų | 77 | 87.4 Ų | 87.4 | 47% | 0.467 | 48% | 0.481 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 126.9 | -177.8 | -177.9 | 0 | 0 | 0 | 0 | 109.9 | I575 L597 | I575-V595 HydrophobicContact CB-CG1 4.29Å; I575-V595 HydrophobicContact CD1-CG1 3.89Å; I575-V595 HydrophobicContact CG1-CG1 3.85Å; I575-V595 HydrophobicContact CG2-CG1 3.57Å; V595-L597 HydrophobicContact CG1-CD2 4.07Å; V595-L597 PolarHBondContact O-N 3.07Å |
| 596 | I | 86.6 | Confident | 70.7 | Confident | 78 Ų | 78 | 82.5 Ų | 82.5 | 40% | 0.4 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 108.2 | 172.1 | -52.8 | 174.5 | 0 | 0 | 0 | 107.6 | L576 G577 N579 | L576-I596 HydrophobicContact CB-CB 4.48Å; L576-I596 HydrophobicContact CB-CG2 4.17Å; L576-I596 HydrophobicContact CD1-CG2 4.33Å; L576-I596 PolarHBondContact N-O 3.29Å; G577-I596 PolarHBondContact O-N 3.17Å; N579-I596 HydrophobicContact CB-CD1 3.9Å; N579-I596 HydrophobicContact CB-CG1 3.88Å |
| 597 | L | 87.6 | Confident | 72.7 | Confident | 50 Ų | 50 | 76.8 Ų | 76.8 | 26% | 0.262 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 145.5 | 179.4 | -61.9 | 169.2 | 0 | 0 | 0 | 110.7 | I575 V595 P599 H670 R675 | I575-L597 HydrophobicContact CG1-CD2 4.35Å; V595-L597 HydrophobicContact CG1-CD2 4.07Å; V595-L597 PolarHBondContact O-N 3.07Å; L597-P599 WeakPolarHBondContact O-CD 3.19Å; L597-H670 HydrophobicContact CD1-CB 4.35Å; L597-R675 HydrophobicContact CD1-CB 3.91Å; L597-R675 HydrophobicContact CD1-CG 4.14Å; L597-R675 HydrophobicContact CD2-CB 4.14Å; L597-R675 HydrophobicContact CG-CB 4.48Å |
| 598 | D | 87.6 | Confident | 74.5 | Confident | 1 Ų | 1 | 74.8 Ų | 74.8 | 1% | 0.005 | 42% | 0.422 | C | S | . | . | trans | -74.1 | 119 | 172.4 | -165.2 | -28.8 | 0 | 0 | 0 | 109.7 | G574 L576 D600 F601 R720 | G574-D598 PolarHBondContact O-N 3.37Å; L576-D598 HydrophobicContact CD1-CB 4.4Å; L576-D598 HydrophobicContact CD2-CB 4.18Å; L576-D598 HydrophobicContact CG-CB 3.96Å; D598-D600 PolarHBondContact O-N 2.97Å; D598-D600 WeakPolarHBondContact OD1-CB 3.42Å; D598-D600 PolarHBondContact OD1-N 2.88Å; D598-F601 HydrophobicContact CB-CB 4.01Å; D598-R720 VanDerWaalsContact CG-NH1 3.33Å; D598-R720 IonicContact OD1-NH1 3.19Å; D598-R720 PolarHBondContact OD1-NH1 3.43Å; D598-R720 WeakPolarHBondContact OD2-CD 3.35Å; D598-R720 IonicContact OD2-CZ 3.78Å; D598-R720 IonicContact OD2-NH1 2.83Å; D598-R720 PolarHBondContact OD2-NH1 3.37Å | ||
| 599 | P | 84.9 | Confident | 76.7 | Confident | 90 Ų | 90 | 72.6 Ų | 72.6 | 58% | 0.584 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.7 | -25.7 | 177.8 | 28.2 | -35.2 | 0 | 0 | 0 | 113.1 | L597 | L597-P599 WeakPolarHBondContact O-CD 3.19Š|
| 600 | D | 85.2 | Confident | 78.8 | Confident | 106 Ų | 106 | 65.4 Ų | 65.4 | 57% | 0.567 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.9 | -11.6 | -174.5 | -57.5 | -40.5 | 0 | 0 | 0 | 112.5 | D598 D602 A717 R720 | D598-D600 PolarHBondContact O-N 2.97Å; D598-D600 WeakPolarHBondContact OD1-CB 3.42Å; D598-D600 PolarHBondContact OD1-N 2.88Å; D600-D602 PolarHBondContact O-N 2.96Å; D600-A717 HydrophobicContact CB-CB 4.15Å; D600-R720 IonicContact OD2-NH1 3.6Å |
| 601 | F | 87.4 | Confident | 80.8 | Confident | 5 Ų | 5 | 62.5 Ų | 62.5 | 2% | 0.022 | 34% | 0.337 | C | S | . | . | trans | -74.6 | 117.1 | -178.9 | -179.4 | -98 | 0 | 0 | 0 | 112 | F573 D598 I603 V674 R675 L677 A717 L718 | F573-F601 HydrophobicContact CB-CD2 4.4Å; F573-F601 HydrophobicContact CB-CE2 3.71Å; F573-F601 HydrophobicContact CB-CZ 4.22Å; D598-F601 HydrophobicContact CB-CB 4.01Å; F601-I603 HydrophobicContact CE1-CB 4.49Å; F601-V674 HydrophobicContact CE1-CG1 4.5Å; F601-R675 WeakPolarHBondContact CD1-O 3.36Å; F601-L677 HydrophobicContact CZ-CB 4.17Å; F601-A717 HydrophobicContact CB-CB 4.27Å; F601-L718 HydrophobicContact CD2-CD2 4.31Å; F601-L718 HydrophobicContact CE2-CD2 3.8Å | ||
| 602 | D | 85.3 | Confident | 82.5 | Confident | 55 Ų | 55 | 62.3 Ų | 62.3 | 29% | 0.294 | 33% | 0.331 | S | S | . | . | trans | -130.9 | 112.9 | 172.7 | -174 | -10.8 | 0 | 0 | 0 | 110.1 | D600 F604 K605 E606 | D600-D602 PolarHBondContact O-N 2.96Å; D602-F604 PolarHBondContact O-N 3.32Å; D602-F604 PolarHBondContact OD1-N 3.46Å; D602-F604 VanDerWaalsContact OD1-N 3.13Å; D602-K605 HydrophobicContact CB-CB 4.34Å; D602-K605 HydrophobicContact CB-CD 4.13Å; D602-K605 HydrophobicContact CB-CG 4.19Å; D602-K605 PolarHBondContact O-N 2.94Å; D602-K605 WeakPolarHBondContact OD2-CE 3.45Å; D602-E606 PolarHBondContact O-N 3.27Å | ||
| 603 | I | 83.3 | Confident | 84.1 | Confident | 14 Ų | 14 | 54 Ų | 54 | 7% | 0.072 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -59 | -32 | -175.9 | -162.8 | 172.4 | 0 | 0 | 0 | 112.6 | F601 M607 L610 V674 L677 | F601-I603 HydrophobicContact CE1-CB 4.49Å; I603-M607 HydrophobicContact CD1-CE 4.04Å; I603-M607 HydrophobicContact CG1-CE 3.71Å; I603-M607 WeakPolarHBondContact O-CB 3.04Å; I603-M607 PolarHBondContact O-N 3.42Å; I603-M607 VanDerWaalsContact O-N 3.09Å; I603-L610 HydrophobicContact CG1-CD1 4.21Å; I603-V674 HydrophobicContact CB-CB 4.41Å; I603-V674 HydrophobicContact CB-CG1 4.1Å; I603-V674 HydrophobicContact CD1-CG1 3.92Å; I603-V674 HydrophobicContact CG2-CB 3.9Å; I603-V674 HydrophobicContact CG2-CG1 4.12Å; I603-V674 HydrophobicContact CG2-CG2 4.35Å; I603-L677 HydrophobicContact CD1-CD2 4.4Å |
| 604 | F | 79.6 | Confident | 85.1 | Confident | 158 Ų | 158 | 52 Ų | 52 | 69% | 0.693 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -75.6 | -31.4 | -177.1 | -67.6 | -76.2 | 0 | 0 | 0 | 112.5 | D602 | D602-F604 PolarHBondContact O-N 3.32Å; D602-F604 PolarHBondContact OD1-N 3.46Å; D602-F604 VanDerWaalsContact OD1-N 3.13Å |
| 605 | K | 82.1 | Confident | 85.6 | Confident | 161 Ų | 161 | 52.1 Ų | 52.1 | 70% | 0.7 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -76.4 | -33.3 | 175.9 | -65.5 | -178.2 | -174.2 | 175.8 | 0 | 111.9 | D602 | D602-K605 HydrophobicContact CB-CB 4.34Å; D602-K605 HydrophobicContact CB-CD 4.13Å; D602-K605 HydrophobicContact CB-CG 4.19Å; D602-K605 PolarHBondContact O-N 2.94Å; D602-K605 WeakPolarHBondContact OD2-CE 3.45Å |
| 606 | E | 84.8 | Confident | 86 | Confident | 21 Ų | 21 | 49.9 Ų | 49.9 | 10% | 0.098 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -98.8 | -1.5 | -171.3 | -64.1 | -62 | 172.6 | 0 | 0 | 114.1 | D602 G608 H609 L610 S716 A717 L718 | D602-E606 PolarHBondContact O-N 3.27Å; E606-G608 VanDerWaalsContact C-N 3.32Å; E606-G608 PolarHBondContact O-N 3.45Å; E606-H609 PolarHBondContact O-N 3.41Å; E606-H609 VanDerWaalsContact O-N 3.13Å; E606-H609 IonicContact OE2-CE1 3.88Å; E606-H609 IonicContact OE2-CG 3.86Å; E606-H609 IonicContact OE2-ND1 2.96Å; E606-H609 PolarHBondContact OE2-ND1 3.41Å; E606-L610 HydrophobicContact CB-CD1 4.49Å; E606-L610 WeakPolarHBondContact O-CG 3.47Å; E606-L610 PolarHBondContact O-N 3.42Å; E606-S716 WeakPolarHBondContact OE1-CA 3.41Å; E606-S716 PolarHBondContact OE1-OG 3.41Å; E606-S716 PolarHBondContact OE2-OG 2.98Å; E606-A717 PolarHBondContact OE1-N 3.29Å; E606-L718 HydrophobicContact CB-CD1 3.95Å; E606-L718 HydrophobicContact CB-CD2 4.06Å; E606-L718 HydrophobicContact CB-CG 3.91Å; E606-L718 HydrophobicContact CG-CD1 4.47Å; E606-L718 HydrophobicContact CG-CD2 4.42Å; E606-L718 HydrophobicContact CG-CG 4.05Å |
| 607 | M | 82.6 | Confident | 86.2 | Confident | 17 Ų | 17 | 46.1 Ų | 46.1 | 8% | 0.084 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -57.9 | -38.9 | -174.2 | -168.5 | 67.2 | 75.7 | 0 | 0 | 113.8 | I603 L610 C611 L642 | I603-M607 HydrophobicContact CD1-CE 4.04Å; I603-M607 HydrophobicContact CG1-CE 3.71Å; I603-M607 WeakPolarHBondContact O-CB 3.04Å; I603-M607 PolarHBondContact O-N 3.42Å; I603-M607 VanDerWaalsContact O-N 3.09Å; M607-L610 PolarHBondContact O-N 2.99Å; M607-C611 PolarHBondContact O-N 2.93Å; M607-C611 PolarHBondContact O-SG 3.28Å; M607-C611 VanDerWaalsContact O-SG 3.35Å; M607-L642 HydrophobicContact CE-CD2 4.09Å; M607-L642 HydrophobicContact CG-CD2 3.85Å; M607-L642 HydrophobicContact SD-CD2 3.53Å; M607-L642 VanDerWaalsContact SD-CD2 3.53Å |
| 608 | G | 82.6 | Confident | 86.2 | Confident | 17 Ų | 17 | 44.2 Ų | 44.2 | 18% | 0.175 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -60.8 | -46.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | E606 C611 K612 | E606-G608 VanDerWaalsContact C-N 3.32Å; E606-G608 PolarHBondContact O-N 3.45Å; G608-C611 PolarHBondContact O-N 2.9Å; G608-K612 PolarHBondContact O-N 3.29Å; G608-K612 VanDerWaalsContact O-N 3.13Å |
| 609 | H | 87 | Confident | 86.2 | Confident | 62 Ų | 62 | 47.5 Ų | 47.5 | 29% | 0.287 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -65.8 | -40.1 | 176.8 | -60.6 | 122.9 | 0 | 0 | 0 | 112.1 | E606 C611 K612 I613 L712 L718 | E606-H609 PolarHBondContact O-N 3.41Å; E606-H609 VanDerWaalsContact O-N 3.13Å; E606-H609 IonicContact OE2-CE1 3.88Å; E606-H609 IonicContact OE2-CG 3.86Å; E606-H609 IonicContact OE2-ND1 2.96Å; E606-H609 PolarHBondContact OE2-ND1 3.41Å; H609-C611 VanDerWaalsContact C-N 3.34Å; H609-C611 PolarHBondContact O-N 2.85Å; H609-K612 WeakPolarHBondContact O-CB 3.39Å; H609-K612 PolarHBondContact O-N 3.41Å; H609-I613 WeakPolarHBondContact O-CG1 3.45Å; H609-I613 PolarHBondContact O-N 3.21Å; H609-L712 HydrophobicContact CB-CD2 3.88Å; H609-L718 HydrophobicContact CB-CD1 3.43Å; H609-L718 VanDerWaalsContact CB-CD1 3.43Å |
| 610 | L | 87.6 | Confident | 86.5 | Confident | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.005 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -59.3 | -43.6 | 175.4 | -74.2 | 168.4 | 0 | 0 | 0 | 112 | F573 I603 E606 M607 K612 I613 C614 L677 M679 L718 | F573-L610 HydrophobicContact CD2-CD2 3.75Å; F573-L610 HydrophobicContact CE2-CD2 3.78Å; F573-L610 HydrophobicContact CG-CD2 4.19Å; F573-L610 HydrophobicContact CZ-CD2 4.25Å; I603-L610 HydrophobicContact CG1-CD1 4.21Å; E606-L610 HydrophobicContact CB-CD1 4.49Å; E606-L610 WeakPolarHBondContact O-CG 3.47Å; E606-L610 PolarHBondContact O-N 3.42Å; M607-L610 PolarHBondContact O-N 2.99Å; L610-K612 VanDerWaalsContact C-N 3.35Å; L610-I613 PolarHBondContact O-N 3.26Å; L610-C614 WeakPolarHBondContact O-CB 3.35Å; L610-C614 PolarHBondContact O-N 2.92Å; L610-L677 HydrophobicContact CD1-CD2 3.69Å; L610-L677 HydrophobicContact CD2-CD2 3.97Å; L610-L677 HydrophobicContact CG-CD2 4.39Å; L610-M679 HydrophobicContact CB-CE 3.85Å; L610-M679 HydrophobicContact CD2-CE 3.69Å; L610-M679 HydrophobicContact CG-CE 4.33Å; L610-L718 HydrophobicContact CD1-CD2 4.48Å; L610-L718 HydrophobicContact CD2-CD1 4.12Å; L610-L718 HydrophobicContact CD2-CD2 3.57Å; L610-L718 HydrophobicContact CG-CD1 3.99Å; L610-L718 HydrophobicContact CG-CD2 3.96Å |
| 611 | C | 86.3 | Confident | 86.5 | Confident | 3 Ų | 3 | 47.5 Ų | 47.5 | 2% | 0.02 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -65.2 | -37.4 | 176.6 | -71.6 | 0 | 0 | 0 | 0 | 112.4 | M607 G608 H609 C614 K615 E648 C649 L652 | M607-C611 PolarHBondContact O-N 2.93Å; M607-C611 PolarHBondContact O-SG 3.28Å; M607-C611 VanDerWaalsContact O-SG 3.35Å; G608-C611 PolarHBondContact O-N 2.9Å; H609-C611 VanDerWaalsContact C-N 3.34Å; H609-C611 PolarHBondContact O-N 2.85Å; C611-C614 PolarHBondContact O-N 3.07Å; C611-K615 WeakPolarHBondContact O-CG 3.47Å; C611-K615 PolarHBondContact O-N 3.48Å; C611-E648 HydrophobicContact CB-CB 4.34Å; C611-C649 HydrophobicContact CB-CB 3.94Å; C611-C649 WeakPolarHBondContact CB-SG 3.34Å; C611-C649 VanDerWaalsContact SG-CA 3.58Å; C611-C649 WeakPolarHBondContact SG-CB 3.45Å; C611-C649 CovalentContact SG-SG 2.04Å; C611-C649 PolarHBondContact SG-SG 2.75Å; C611-L652 HydrophobicContact CB-CD2 4.22Å |
| 612 | K | 87.9 | Confident | 86.4 | Confident | 108 Ų | 108 | 55.7 Ų | 55.7 | 47% | 0.47 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -63.9 | -46.5 | 174.9 | -173 | 175.8 | 175 | -177.1 | 0 | 112.2 | G608 H609 L610 K615 A616 | G608-K612 PolarHBondContact O-N 3.29Å; G608-K612 VanDerWaalsContact O-N 3.13Å; H609-K612 WeakPolarHBondContact O-CB 3.39Å; H609-K612 PolarHBondContact O-N 3.41Å; L610-K612 VanDerWaalsContact C-N 3.35Å; K612-K615 PolarHBondContact O-N 3.09Å; K612-A616 PolarHBondContact O-N 3.01Å |
| 613 | I | 89.5 | Confident | 86.6 | Confident | 5 Ų | 5 | 53.5 Ų | 53.5 | 3% | 0.026 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -60.5 | -48.1 | 175.8 | -64.8 | 165.4 | 0 | 0 | 0 | 110.2 | F573 H609 L610 K615 A616 V617 L712 L718 | F573-I613 HydrophobicContact CE1-CD1 4.31Å; F573-I613 HydrophobicContact CZ-CD1 4.07Å; H609-I613 WeakPolarHBondContact O-CG1 3.45Å; H609-I613 PolarHBondContact O-N 3.21Å; L610-I613 PolarHBondContact O-N 3.26Å; I613-K615 VanDerWaalsContact C-N 3.3Å; I613-K615 PolarHBondContact O-N 3.4Å; I613-A616 PolarHBondContact O-N 3.33Å; I613-A616 VanDerWaalsContact O-N 3.16Å; I613-V617 HydrophobicContact CG2-CG2 4Å; I613-V617 VanDerWaalsContact O-CG2 3.26Å; I613-V617 WeakPolarHBondContact O-CG2 3.44Å; I613-V617 PolarHBondContact O-N 2.84Å; I613-L712 HydrophobicContact CD1-CD1 3.83Å; I613-L718 HydrophobicContact CD1-CD1 4.23Å |
| 614 | C | 88.7 | Confident | 86.8 | Confident | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -54.3 | -45.5 | 177.7 | 166.6 | 0 | 0 | 0 | 0 | 112.6 | L610 C611 G618 C631 L652 M679 | L610-C614 WeakPolarHBondContact O-CB 3.35Å; L610-C614 PolarHBondContact O-N 2.92Å; C611-C614 PolarHBondContact O-N 3.07Å; C614-G618 PolarHBondContact O-N 2.97Å; C614-C631 HydrophobicContact CB-CB 3.57Å; C614-C631 WeakPolarHBondContact CB-SG 3.36Å; C614-C631 WeakPolarHBondContact SG-CB 3.29Å; C614-C631 CovalentContact SG-SG 2Å; C614-C631 PolarHBondContact SG-SG 3.47Å; C614-L652 HydrophobicContact CB-CD2 4.19Å; C614-L652 VanDerWaalsContact SG-CD2 3.59Å; C614-M679 HydrophobicContact CB-SD 4.29Å |
| 615 | K | 88.9 | Confident | 86.9 | Confident | 65 Ų | 65 | 46.9 Ų | 46.9 | 28% | 0.283 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -64.7 | -44.2 | 177.5 | -77.1 | 175.9 | 173.3 | 175.9 | 0 | 112 | C611 K612 I613 A619 E648 H650 L652 | C611-K615 WeakPolarHBondContact O-CG 3.47Å; C611-K615 PolarHBondContact O-N 3.48Å; K612-K615 PolarHBondContact O-N 3.09Å; I613-K615 VanDerWaalsContact C-N 3.3Å; I613-K615 PolarHBondContact O-N 3.4Å; K615-A619 WeakPolarHBondContact O-CB 3.23Å; K615-A619 PolarHBondContact O-N 3.26Å; K615-E648 VanDerWaalsContact CE-O 3.26Å; K615-E648 WeakPolarHBondContact CE-O 3.1Å; K615-E648 PolarHBondContact NZ-O 3.33Å; K615-H650 WeakPolarHBondContact CE-O 3.25Å; K615-H650 PolarHBondContact NZ-O 3.26Å; K615-L652 HydrophobicContact CG-CD2 4.46Å |
| 616 | A | 90.4 | Very high | 86.7 | Confident | 30 Ų | 30 | 43.6 Ų | 43.6 | 25% | 0.248 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -62.3 | -46.8 | 179 | 0 | 0 | 0 | 0 | 0 | 111.7 | K612 I613 A619 N620 Q708 | K612-A616 PolarHBondContact O-N 3.01Å; I613-A616 PolarHBondContact O-N 3.33Å; I613-A616 VanDerWaalsContact O-N 3.16Å; A616-A619 PolarHBondContact O-N 3.11Å; A616-N620 PolarHBondContact O-N 3.44Å; A616-Q708 VanDerWaalsContact CB-OE1 3.25Å |
| 617 | V | 90.6 | Very high | 86.2 | Confident | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -67 | -45.8 | 178.7 | -179.5 | 0 | 0 | 0 | 0 | 111 | I613 A619 N620 V624 F681 W701 F704 I705 | I613-V617 HydrophobicContact CG2-CG2 4Å; I613-V617 VanDerWaalsContact O-CG2 3.26Å; I613-V617 WeakPolarHBondContact O-CG2 3.44Å; I613-V617 PolarHBondContact O-N 2.84Å; V617-A619 VanDerWaalsContact C-N 3.3Å; V617-A619 PolarHBondContact O-N 2.93Å; V617-N620 PolarHBondContact O-N 2.98Å; V617-V624 HydrophobicContact CG1-CG2 3.93Å; V617-V624 WeakPolarHBondContact O-CG2 3.22Å; V617-F681 HydrophobicContact CB-CD1 4.41Å; V617-F681 HydrophobicContact CB-CE1 3.86Å; V617-F681 HydrophobicContact CB-CZ 3.93Å; V617-F681 HydrophobicContact CG1-CD1 3.61Å; V617-F681 HydrophobicContact CG1-CD2 4.02Å; V617-F681 HydrophobicContact CG1-CE1 3.53Å; V617-F681 HydrophobicContact CG1-CE2 3.95Å; V617-F681 HydrophobicContact CG1-CG 3.86Å; V617-F681 HydrophobicContact CG1-CZ 3.71Å; V617-F681 HydrophobicContact CG2-CZ 4.5Å; V617-W701 HydrophobicContact CG1-CH2 3.96Å; V617-W701 HydrophobicContact CG1-CZ3 3.94Å; V617-F704 HydrophobicContact CB-CE1 4.37Å; V617-F704 HydrophobicContact CG2-CE1 3.95Å; V617-I705 HydrophobicContact CG2-CD1 3.86Å |
| 618 | G | 87.2 | Confident | 85.9 | Confident | 9 Ų | 9 | 43.2 Ų | 43.2 | 9% | 0.093 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -67.3 | -25.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | C614 | C614-G618 PolarHBondContact O-N 2.97Å |
| 619 | A | 89.3 | Confident | 86 | Confident | 70 Ų | 70 | 42.6 Ų | 42.6 | 58% | 0.579 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -76.5 | -23 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | K615 A616 V617 R621 | K615-A619 WeakPolarHBondContact O-CB 3.23Å; K615-A619 PolarHBondContact O-N 3.26Å; A616-A619 PolarHBondContact O-N 3.11Å; V617-A619 VanDerWaalsContact C-N 3.3Å; V617-A619 PolarHBondContact O-N 2.93Å; A619-R621 PolarHBondContact O-N 3.4Å |
| 620 | N | 89.8 | Confident | 85.8 | Confident | 38 Ų | 38 | 40 Ų | 40 | 20% | 0.203 | 21% | 0.212 | C | C | . | . | trans | -76.3 | 89.9 | -177.8 | -168.7 | -20.3 | 0 | 0 | 0 | 111.8 | A616 V617 K622 L623 V624 F704 | A616-N620 PolarHBondContact O-N 3.44Å; V617-N620 PolarHBondContact O-N 2.98Å; N620-K622 PolarHBondContact O-N 3.29Å; N620-K622 WeakPolarHBondContact OD1-CB 3.27Å; N620-K622 PolarHBondContact OD1-N 3.11Å; N620-K622 VanDerWaalsContact OD1-N 3.14Å; N620-L623 WeakPolarHBondContact ND2-CD1 3.36Å; N620-L623 PolarHBondContact O-N 3.28Å; N620-L623 PolarHBondContact OD1-N 3.47Å; N620-V624 PolarHBondContact O-N 3.08Å; N620-F704 HydrophobicContact CB-CE1 4.38Å; N620-F704 HydrophobicContact CB-CZ 4.07Å; N620-F704 WeakPolarHBondContact ND2-CE2 3.5Å | ||
| 621 | R | 85.1 | Confident | 85.4 | Confident | 158 Ų | 158 | 40.2 Ų | 40.2 | 60% | 0.596 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.2 | -14.1 | 179.5 | -59.7 | -58.2 | -169.4 | -156 | 0.3 | 114.8 | A619 | A619-R621 PolarHBondContact O-N 3.4Š|
| 622 | K | 86.9 | Confident | 85 | Confident | 178 Ų | 178 | 42.1 Ų | 42.1 | 77% | 0.774 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76.4 | -37.8 | 176.4 | -65.8 | -177.6 | 178.2 | 178.9 | 0 | 111.1 | N620 T684 | N620-K622 PolarHBondContact O-N 3.29Å; N620-K622 WeakPolarHBondContact OD1-CB 3.27Å; N620-K622 PolarHBondContact OD1-N 3.11Å; N620-K622 VanDerWaalsContact OD1-N 3.14Å; K622-T684 WeakPolarHBondContact O-CG2 3.48Å; K622-T684 PolarHBondContact O-OG1 3.13Å |
| 623 | L | 87.9 | Confident | 84.2 | Confident | 9 Ų | 9 | 38.8 Ų | 38.8 | 5% | 0.047 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96 | -38.3 | -177.6 | -63.9 | 179.8 | 0 | 0 | 0 | 112.6 | N620 S683 T684 Q700 W701 F704 | N620-L623 WeakPolarHBondContact ND2-CD1 3.36Å; N620-L623 PolarHBondContact O-N 3.28Å; N620-L623 PolarHBondContact OD1-N 3.47Å; L623-S683 CarbonylContact O-C 3.52Å; L623-S683 VanDerWaalsContact O-CA 3.24Å; L623-S683 WeakPolarHBondContact O-CA 3.07Å; L623-S683 PolarHBondContact O-OG 3.19Å; L623-T684 PolarHBondContact O-N 3.14Å; L623-T684 PolarHBondContact O-OG1 3.17Å; L623-Q700 HydrophobicContact CD2-CB 4.07Å; L623-W701 HydrophobicContact CB-CD2 4.43Å; L623-W701 HydrophobicContact CB-CZ2 3.86Å; L623-W701 HydrophobicContact CD1-CD2 4.32Å; L623-W701 HydrophobicContact CD2-CG 4.28Å; L623-F704 HydrophobicContact CD1-CB 3.81Å; L623-F704 HydrophobicContact CD1-CD1 3.57Å; L623-F704 HydrophobicContact CD1-CE1 4.29Å; L623-F704 HydrophobicContact CD1-CG 3.72Å |
| 624 | V | 87.8 | Confident | 82.7 | Confident | 1 Ų | 1 | 41.9 Ų | 41.9 | 1% | 0.006 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 133.1 | -171.7 | -174.2 | 0 | 0 | 0 | 0 | 111.3 | V617 N620 A629 F681 E682 W701 | V617-V624 HydrophobicContact CG1-CG2 3.93Å; V617-V624 WeakPolarHBondContact O-CG2 3.22Å; N620-V624 PolarHBondContact O-N 3.08Å; V624-A629 HydrophobicContact CG1-CB 4.48Å; V624-F681 HydrophobicContact CG1-CB 4.4Å; V624-F681 HydrophobicContact CG1-CD1 4.45Å; V624-F681 HydrophobicContact CG2-CB 4.25Å; V624-F681 HydrophobicContact CG2-CD1 4.45Å; V624-E682 WeakPolarHBondContact CA-O 3.32Å; V624-W701 HydrophobicContact CG2-CH2 3.5Å; V624-W701 HydrophobicContact CG2-CZ2 3.68Å |
| 625 | K | 82.9 | Confident | 81.1 | Confident | 31 Ų | 31 | 43.7 Ų | 43.7 | 14% | 0.135 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 147.6 | 174.6 | -72.7 | -177.9 | -168.3 | 164.8 | 0 | 111.6 | T565 G627 G628 E682 S683 T684 | T565-K625 PolarHBondContact OG1-NZ 3.27Å; K625-G627 PolarHBondContact O-N 3.4Å; K625-G628 PolarHBondContact O-N 3.2Å; K625-G628 VanDerWaalsContact O-N 3.11Å; K625-E682 HydrophobicContact CD-CG 4.06Å; K625-E682 VanDerWaalsContact CD-OE1 3.29Å; K625-E682 WeakPolarHBondContact CD-OE1 3.39Å; K625-E682 PolarHBondContact N-O 3.31Å; K625-E682 IonicContact NZ-OE1 2.61Å; K625-E682 PolarHBondContact NZ-OE1 3.22Å; K625-S683 VanDerWaalsContact CE-O 3.26Å; K625-S683 WeakPolarHBondContact CE-O 3.4Å; K625-T684 HydrophobicContact CG-CG2 4.11Å |
| 626 | P | 78 | Confident | 78.9 | Confident | 93 Ų | 93 | 48.5 Ų | 48.5 | 60% | 0.604 | 28% | 0.283 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -63 | 125.7 | 179.1 | 26.2 | -33.7 | 0 | 0 | 0 | 111.8 | G628 | P626-G628 VanDerWaalsContact C-N 3.28Å |
| 627 | G | 73.4 | Confident | 76.8 | Confident | 24 Ų | 24 | 55.3 Ų | 55.3 | 25% | 0.247 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 77.7 | 9.5 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115 | K625 N656 | K625-G627 PolarHBondContact O-N 3.4Å; G627-N656 PolarHBondContact O-N 3.16Å; G627-N656 VanDerWaalsContact O-N 3.15Å |
| 628 | G | 76.3 | Confident | 75 | Confident | 6 Ų | 6 | 59.9 Ų | 59.9 | 6% | 0.062 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 8.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | K625 P626 F681 E682 | K625-G628 PolarHBondContact O-N 3.2Å; K625-G628 VanDerWaalsContact O-N 3.11Å; P626-G628 VanDerWaalsContact C-N 3.28Å; G628-F681 CarbonylContact O-C 3.5Å; G628-F681 WeakPolarHBondContact O-CA 2.99Å; G628-E682 PolarHBondContact O-N 2.86Å |
| 629 | A | 83.8 | Confident | 73.5 | Confident | 4 Ų | 4 | 63.5 Ų | 63.5 | 3% | 0.033 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 123.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | V624 P653 F681 | V624-A629 HydrophobicContact CG1-CB 4.48Å; A629-P653 HydrophobicContact CB-CB 4.09Å; A629-P653 HydrophobicContact CB-CG 3.91Å; A629-F681 HydrophobicContact CB-CD1 3.78Å; A629-F681 HydrophobicContact CB-CE1 3.96Å |
| 630 | Q | 83.4 | Confident | 71.9 | Confident | 6 Ų | 6 | 63.8 Ų | 63.8 | 3% | 0.028 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 91.7 | 179.5 | 179.4 | 158 | 44.2 | 0 | 0 | 110.1 | P655 A680 | Q630-P655 HydrophobicContact CB-CB 3.98Å; Q630-P655 HydrophobicContact CB-CG 4.29Å; Q630-P655 HydrophobicContact CG-CB 4.32Å; Q630-P655 HydrophobicContact CG-CG 4.16Å; Q630-A680 CarbonylContact C-O 3.53Å; Q630-A680 WeakPolarHBondContact CA-O 3.2Å; Q630-A680 HydrophobicContact CB-CB 4.31Å; Q630-A680 WeakPolarHBondContact CB-O 3.46Å; Q630-A680 PolarHBondContact N-O 2.88Å; Q630-A680 PolarHBondContact O-N 2.9Å |
| 631 | C | 80.1 | Confident | 70.4 | Confident | 7 Ų | 7 | 65.5 Ų | 65.5 | 5% | 0.047 | 36% | 0.364 | C | S | . | . | trans | -90.9 | -24.5 | -171.3 | -55.8 | 0 | 0 | 0 | 0 | 114.7 | C614 M679 | C614-C631 HydrophobicContact CB-CB 3.57Å; C614-C631 WeakPolarHBondContact CB-SG 3.36Å; C614-C631 WeakPolarHBondContact SG-CB 3.29Å; C614-C631 CovalentContact SG-SG 2Å; C614-C631 PolarHBondContact SG-SG 3.47Å; C631-M679 HydrophobicContact CB-CE 4.41Å; C631-M679 HydrophobicContact CB-SD 4.07Å; C631-M679 WeakPolarHBondContact O-CG 3.45Å | ||
| 632 | L | 77.1 | Confident | 69.3 | Low | 43 Ų | 43 | 58.6 Ų | 58.6 | 23% | 0.225 | 34% | 0.339 | C | S | . | . | S | Bend | trans | -132.1 | 146.9 | 179.4 | -67.8 | 170.7 | 0 | 0 | 0 | 109.8 | S634 L642 L652 | L632-S634 PolarHBondContact O-N 3.24Å; L632-L642 HydrophobicContact CD1-CD2 3.59Å; L632-L652 HydrophobicContact CD1-CD1 3.97Å |
| 633 | P | 70.4 | Confident | 68 | Low | 37 Ų | 37 | 52.2 Ų | 52.2 | 24% | 0.24 | 32% | 0.316 | C | S | . | . | trans | -60.7 | 133.8 | 173.6 | 27.2 | -35.3 | 0 | 0 | 0 | 109.7 | G635 V667 | P633-G635 PolarHBondContact O-N 3.45Å; P633-V667 HydrophobicContact CG-CG2 3.71Å | ||
| 634 | S | 59.7 | Low | 66.7 | Low | 71 Ų | 71 | 59.1 Ų | 59.1 | 50% | 0.497 | 35% | 0.352 | S | S | . | . | trans | -78.5 | 110.4 | -177 | 55.2 | 0 | 0 | 0 | 0 | 110.1 | L632 S663 | L632-S634 PolarHBondContact O-N 3.24Å; S634-S663 PolarHBondContact N-OG 2.99Å; S634-S663 WeakPolarHBondContact OG-CB 3.36Å | ||
| 635 | G | 54.7 | Low | 65.4 | Low | 38 Ų | 38 | 65 Ų | 65 | 39% | 0.392 | 38% | 0.382 | S | S | . | . | trans | -147.2 | 132.6 | 171.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | P633 K637 L638 | P633-G635 PolarHBondContact O-N 3.45Å; G635-K637 PolarHBondContact O-N 3.26Å; G635-L638 PolarHBondContact O-N 3.49Å | ||
| 636 | N | 42.4 | Very low | 64.7 | Low | 166 Ų | 166 | 66.6 Ų | 66.6 | 89% | 0.888 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | 18 | -161.7 | -71.7 | -4.5 | 0 | 0 | 0 | 117.7 | ||
| 637 | K | 45.5 | Very low | 64.3 | Low | 173 Ų | 173 | 67.5 Ų | 67.5 | 75% | 0.752 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -136.9 | -11.4 | 178 | -63.7 | -172.8 | 179.6 | -178.3 | 0 | 115.5 | G635 V641 | G635-K637 PolarHBondContact O-N 3.26Å; K637-V641 VanDerWaalsContact O-CG2 3.25Å; K637-V641 WeakPolarHBondContact O-CG2 3.37Å |
| 638 | L | 54.1 | Low | 64.2 | Low | 96 Ų | 96 | 70.6 Ų | 70.6 | 50% | 0.503 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -85.8 | -42 | -178.9 | -84.6 | 154 | 0 | 0 | 0 | 111.8 | G635 S640 V641 L642 | G635-L638 PolarHBondContact O-N 3.49Å; L638-S640 VanDerWaalsContact C-N 3.26Å; L638-S640 PolarHBondContact O-N 3Å; L638-V641 PolarHBondContact O-N 3.46Å; L638-L642 HydrophobicContact CB-CD1 3.84Å; L638-L642 HydrophobicContact CD2-CD1 3.44Å; L638-L642 VanDerWaalsContact CD2-CD1 3.44Å; L638-L642 HydrophobicContact CG-CD1 4.26Å; L638-L642 WeakPolarHBondContact O-CB 3.39Å; L638-L642 WeakPolarHBondContact O-CD1 3.34Å; L638-L642 PolarHBondContact O-N 3.24Å |
| 639 | S | 54.1 | Low | 64 | Low | 85 Ų | 85 | 70.4 Ų | 70.4 | 59% | 0.594 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -63.3 | -27.9 | -179.8 | 50.4 | 0 | 0 | 0 | 0 | 114.1 | P643 | S639-P643 WeakPolarHBondContact O-CD 3.44Å; S639-P643 WeakPolarHBondContact O-CG 3.46Å |
| 640 | S | 56.3 | Low | 63.5 | Low | 75 Ų | 75 | 76.2 Ų | 76.2 | 52% | 0.524 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -86.2 | -25.3 | 178.1 | 54.1 | 0 | 0 | 0 | 0 | 113.9 | L638 | L638-S640 VanDerWaalsContact C-N 3.26Å; L638-S640 PolarHBondContact O-N 3Å |
| 641 | V | 58.3 | Low | 62.8 | Low | 74 Ų | 74 | 80.4 Ų | 80.4 | 45% | 0.448 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -98.2 | -31.9 | -175.2 | 178.3 | 0 | 0 | 0 | 0 | 112.3 | K637 L638 L644 L645 | K637-V641 VanDerWaalsContact O-CG2 3.25Å; K637-V641 WeakPolarHBondContact O-CG2 3.37Å; L638-V641 PolarHBondContact O-N 3.46Å; V641-L644 WeakPolarHBondContact O-CB 3.48Å; V641-L644 PolarHBondContact O-N 2.98Å; V641-L645 HydrophobicContact CG1-CD1 3.91Å |
| 642 | L | 63.2 | Low | 62.5 | Low | 14 Ų | 14 | 82.2 Ų | 82.2 | 7% | 0.073 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -58.5 | -42.6 | 178.7 | -99.1 | 94.7 | 0 | 0 | 0 | 114.8 | M607 L632 L638 L644 L645 H646 | M607-L642 HydrophobicContact CE-CD2 4.09Å; M607-L642 HydrophobicContact CG-CD2 3.85Å; M607-L642 HydrophobicContact SD-CD2 3.53Å; M607-L642 VanDerWaalsContact SD-CD2 3.53Å; L632-L642 HydrophobicContact CD1-CD2 3.59Å; L638-L642 HydrophobicContact CB-CD1 3.84Å; L638-L642 HydrophobicContact CD2-CD1 3.44Å; L638-L642 VanDerWaalsContact CD2-CD1 3.44Å; L638-L642 HydrophobicContact CG-CD1 4.26Å; L638-L642 WeakPolarHBondContact O-CB 3.39Å; L638-L642 WeakPolarHBondContact O-CD1 3.34Å; L638-L642 PolarHBondContact O-N 3.24Å; L642-L644 PolarHBondContact O-N 3.39Å; L642-L645 PolarHBondContact O-N 3.03Å; L642-L645 VanDerWaalsContact O-N 3.12Å; L642-H646 PolarHBondContact O-N 3.33Å; L642-H646 VanDerWaalsContact O-N 3.07Å |
| 643 | P | 59.4 | Low | 62.1 | Low | 44 Ų | 44 | 82.3 Ų | 82.3 | 29% | 0.286 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -65.7 | -20.5 | -179.7 | -21.7 | 33.7 | 0 | 0 | 0 | 113.7 | S639 | S639-P643 WeakPolarHBondContact O-CD 3.44Å; S639-P643 WeakPolarHBondContact O-CG 3.46Å |
| 644 | L | 58.9 | Low | 61.9 | Low | 153 Ų | 153 | 88.1 Ų | 88.1 | 80% | 0.801 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -79.9 | -25.1 | 175.5 | -87.9 | 142.9 | 0 | 0 | 0 | 112.7 | V641 L642 | V641-L644 WeakPolarHBondContact O-CB 3.48Å; V641-L644 PolarHBondContact O-N 2.98Å; L642-L644 PolarHBondContact O-N 3.39Å |
| 645 | L | 61.2 | Low | 62.3 | Low | 124 Ų | 124 | 86.7 Ų | 86.7 | 65% | 0.649 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -92.9 | -33.7 | -179.2 | -79 | 152.9 | 0 | 0 | 0 | 112.6 | V641 L642 | V641-L645 HydrophobicContact CG1-CD1 3.91Å; L642-L645 PolarHBondContact O-N 3.03Å; L642-L645 VanDerWaalsContact O-N 3.12Å |
| 646 | H | 69.1 | Low | 62.7 | Low | 65 Ų | 65 | 87.6 Ų | 87.6 | 30% | 0.301 | 48% | 0.479 | S | S | . | . | trans | -137.8 | 123 | 178.8 | -68.7 | -41.9 | 0 | 0 | 0 | 112.5 | L642 E648 C649 | L642-H646 PolarHBondContact O-N 3.33Å; L642-H646 VanDerWaalsContact O-N 3.07Å; H646-E648 VanDerWaalsContact C-N 3.26Å; H646-E648 PolarHBondContact O-N 3.29Å; H646-C649 PolarHBondContact O-N 3.44Å; H646-C649 VanDerWaalsContact O-N 3.14Å | ||
| 647 | P | 69.4 | Low | 63.6 | Low | 112 Ų | 112 | 81.9 Ų | 81.9 | 73% | 0.727 | 45% | 0.449 | S | S | * | . | G | 310 helix | trans | -65.8 | -29.2 | -178.7 | 25.4 | -32.8 | 0 | 0 | 0 | 112.8 | C649 H650 | P647-C649 PolarHBondContact O-N 2.73Å; P647-C649 VanDerWaalsContact O-N 3.16Å; P647-H650 WeakPolarHBondContact O-CB 3.26Å; P647-H650 PolarHBondContact O-N 2.79Å |
| 648 | E | 71 | Confident | 64.1 | Low | 89 Ų | 89 | 77.4 Ų | 77.4 | 42% | 0.416 | 43% | 0.432 | S | S | . | . | G | 310 helix | trans | -58.7 | -24.4 | 175.2 | -68.3 | -85.9 | 169.2 | 0 | 0 | 112.8 | C611 K615 H646 | C611-E648 HydrophobicContact CB-CB 4.34Å; K615-E648 VanDerWaalsContact CE-O 3.26Å; K615-E648 WeakPolarHBondContact CE-O 3.1Å; K615-E648 PolarHBondContact NZ-O 3.33Å; H646-E648 VanDerWaalsContact C-N 3.26Å; H646-E648 PolarHBondContact O-N 3.29Å |
| 649 | C | 72.4 | Confident | 63.8 | Low | 2 Ų | 2 | 79.4 Ų | 79.4 | 1% | 0.014 | 45% | 0.451 | C | S | . | . | G | 310 helix | trans | -92 | 6.5 | -178.4 | -57.6 | 0 | 0 | 0 | 0 | 114 | C611 H646 P647 L652 | C611-C649 HydrophobicContact CB-CB 3.94Å; C611-C649 WeakPolarHBondContact CB-SG 3.34Å; C611-C649 VanDerWaalsContact SG-CA 3.58Å; C611-C649 WeakPolarHBondContact SG-CB 3.45Å; C611-C649 CovalentContact SG-SG 2.04Å; C611-C649 PolarHBondContact SG-SG 2.75Å; H646-C649 PolarHBondContact O-N 3.44Å; H646-C649 VanDerWaalsContact O-N 3.14Å; P647-C649 PolarHBondContact O-N 2.73Å; P647-C649 VanDerWaalsContact O-N 3.16Å; C649-L652 HydrophobicContact CB-CD1 4.23Å |
| 650 | H | 72.6 | Confident | 63.6 | Low | 126 Ų | 126 | 79.5 Ų | 79.5 | 58% | 0.583 | 47% | 0.465 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.7 | 141.4 | 172.7 | -161.4 | 64.3 | 0 | 0 | 0 | 110.7 | K615 P647 L652 | K615-H650 WeakPolarHBondContact CE-O 3.25Å; K615-H650 PolarHBondContact NZ-O 3.26Å; P647-H650 WeakPolarHBondContact O-CB 3.26Å; P647-H650 PolarHBondContact O-N 2.79Å; H650-L652 PolarHBondContact O-N 2.9Å |
| 651 | S | 69.7 | Low | 63.6 | Low | 95 Ų | 95 | 78.7 Ų | 78.7 | 66% | 0.664 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.5 | 43.4 | 178 | 64.1 | 0 | 0 | 0 | 0 | 116.6 | ||
| 652 | L | 73.4 | Confident | 63.6 | Low | 44 Ų | 44 | 82.5 Ų | 82.5 | 23% | 0.23 | 47% | 0.47 | C | S | . | . | P | Polyproline II helix | trans | -60.9 | 143.2 | 171.4 | -72.6 | 166.8 | 0 | 0 | 0 | 111.4 | C611 C614 K615 L632 C649 H650 E654 | C611-L652 HydrophobicContact CB-CD2 4.22Å; C614-L652 HydrophobicContact CB-CD2 4.19Å; C614-L652 VanDerWaalsContact SG-CD2 3.59Å; K615-L652 HydrophobicContact CG-CD2 4.46Å; L632-L652 HydrophobicContact CD1-CD1 3.97Å; C649-L652 HydrophobicContact CB-CD1 4.23Å; H650-L652 PolarHBondContact O-N 2.9Å; L652-E654 PolarHBondContact O-N 3.13Å |
| 653 | P | 69.3 | Low | 63.8 | Low | 46 Ų | 46 | 83.2 Ų | 83.2 | 30% | 0.299 | 48% | 0.477 | S | S | . | . | P | Polyproline II helix | trans | -63 | 124.1 | 175.5 | 24.5 | -30.8 | 0 | 0 | 0 | 110 | A629 | A629-P653 HydrophobicContact CB-CB 4.09Å; A629-P653 HydrophobicContact CB-CG 3.91Å |
| 654 | E | 65.9 | Low | 64.5 | Low | 159 Ų | 159 | 84.5 Ų | 84.5 | 74% | 0.743 | 48% | 0.479 | S | S | * | . | P | Polyproline II helix | trans | -86.3 | 134.3 | 176.5 | -68.4 | -173.1 | 164.4 | 0 | 0 | 110.5 | L652 | L652-E654 PolarHBondContact O-N 3.13Š|
| 655 | P | 67.3 | Low | 65.4 | Low | 40 Ų | 40 | 77.3 Ų | 77.3 | 26% | 0.26 | 44% | 0.442 | S | S | . | . | P | Polyproline II helix | trans | -75.4 | 140.7 | 178.1 | 30.9 | -34.5 | 0 | 0 | 0 | 111 | Q630 L657 | Q630-P655 HydrophobicContact CB-CB 3.98Å; Q630-P655 HydrophobicContact CB-CG 4.29Å; Q630-P655 HydrophobicContact CG-CB 4.32Å; Q630-P655 HydrophobicContact CG-CG 4.16Å; P655-L657 VanDerWaalsContact C-N 3.27Å; P655-L657 HydrophobicContact CB-CG 4.11Å; P655-L657 HydrophobicContact CG-CD1 4.02Å; P655-L657 HydrophobicContact CG-CG 4.1Å; P655-L657 PolarHBondContact O-N 3.25Å |
| 656 | N | 64.1 | Low | 66.4 | Low | 57 Ų | 57 | 73.3 Ų | 73.3 | 31% | 0.305 | 43% | 0.426 | S | S | . | . | trans | -79.9 | 68.9 | 176 | -68.9 | -32.8 | 0 | 0 | 0 | 111.7 | V559 L562 G627 | V559-N656 HydrophobicContact CB-CB 4.32Å; V559-N656 HydrophobicContact CG1-CB 3.73Å; V559-N656 VanDerWaalsContact CG1-ND2 3.3Å; V559-N656 WeakPolarHBondContact CG1-ND2 3.2Å; L562-N656 WeakPolarHBondContact CD1-O 3.48Å; G627-N656 PolarHBondContact O-N 3.16Å; G627-N656 VanDerWaalsContact O-N 3.15Å | ||
| 657 | L | 61.1 | Low | 67.2 | Low | 47 Ų | 47 | 72.7 Ų | 72.7 | 25% | 0.246 | 43% | 0.427 | C | S | . | . | P | Polyproline II helix | trans | -81.5 | 141.9 | 179.7 | -61.9 | 169.8 | 0 | 0 | 0 | 111.9 | P655 Q661 | P655-L657 VanDerWaalsContact C-N 3.27Å; P655-L657 HydrophobicContact CB-CG 4.11Å; P655-L657 HydrophobicContact CG-CD1 4.02Å; P655-L657 HydrophobicContact CG-CG 4.1Å; P655-L657 PolarHBondContact O-N 3.25Å; L657-Q661 HydrophobicContact CD2-CG 4.36Å |
| 658 | L | 56.3 | Low | 67.9 | Low | 78 Ų | 78 | 67.7 Ų | 67.7 | 41% | 0.408 | 40% | 0.396 | S | S | . | . | P | Polyproline II helix | trans | -71.7 | 151.4 | 170 | -69.2 | 167.3 | 0 | 0 | 0 | 110.8 | P561 G660 Q661 | P561-L658 HydrophobicContact CB-CD1 3.98Å; P561-L658 HydrophobicContact CB-CD2 4.24Å; P561-L658 HydrophobicContact CB-CG 4.48Å; L658-G660 PolarHBondContact O-N 2.88Å; L658-G660 VanDerWaalsContact O-N 3.12Å; L658-Q661 HydrophobicContact CB-CB 4.32Å; L658-Q661 WeakPolarHBondContact O-CB 3.39Å; L658-Q661 PolarHBondContact O-N 3.28Å |
| 659 | P | 46.4 | Very low | 68.4 | Low | 138 Ų | 138 | 70.4 Ų | 70.4 | 90% | 0.896 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | 119 | 174.7 | -20.1 | 30.3 | 0 | 0 | 0 | 111 | ||
| 660 | G | 50.9 | Low | 68.7 | Low | 87 Ų | 87 | 76.3 Ų | 76.3 | 90% | 0.897 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 93.5 | -3.4 | -178 | 0 | 0 | 0 | 0 | 0 | 115.7 | L658 | L658-G660 PolarHBondContact O-N 2.88Å; L658-G660 VanDerWaalsContact O-N 3.12Å |
| 661 | Q | 55.4 | Low | 68.9 | Low | 58 Ų | 58 | 74.1 Ų | 74.1 | 27% | 0.271 | 45% | 0.449 | S | S | . | . | P | Polyproline II helix | trans | -81.3 | 125 | 174.2 | -167.5 | 173.1 | 0.6 | 0 | 0 | 110.6 | L657 L658 | L657-Q661 HydrophobicContact CD2-CG 4.36Å; L658-Q661 HydrophobicContact CB-CB 4.32Å; L658-Q661 WeakPolarHBondContact O-CB 3.39Å; L658-Q661 PolarHBondContact O-N 3.28Å |
| 662 | L | 58.3 | Low | 69.3 | Low | 154 Ų | 154 | 73.2 Ų | 73.2 | 81% | 0.806 | 45% | 0.454 | S | S | * | . | P | Polyproline II helix | trans | -69.2 | 150.5 | 176.5 | -70.8 | 162.8 | 0 | 0 | 0 | 111 | ||
| 663 | S | 67.6 | Low | 69.6 | Low | 30 Ų | 30 | 78.1 Ų | 78.1 | 21% | 0.21 | 47% | 0.474 | C | S | . | . | P | Polyproline II helix | trans | -64.7 | 133.6 | 172.9 | 54.1 | 0 | 0 | 0 | 0 | 111.5 | S634 G665 | S634-S663 PolarHBondContact N-OG 2.99Å; S634-S663 WeakPolarHBondContact OG-CB 3.36Å; S663-G665 VanDerWaalsContact C-N 3.29Å; S663-G665 PolarHBondContact OG-O 3.17Å |
| 664 | H | 73.7 | Confident | 70.2 | Confident | 71 Ų | 71 | 77.6 Ų | 77.6 | 33% | 0.329 | 47% | 0.47 | S | S | . | . | S | Bend | trans | -75.2 | -22.9 | 171.9 | -60.8 | 86.6 | 0 | 0 | 0 | 112 | F570 A680 | F570-H664 HydrophobicContact CE1-CB 4.23Å; H664-A680 HydrophobicContact CB-CB 3.77Å |
| 665 | G | 77.7 | Confident | 71.2 | Confident | 2 Ų | 2 | 73.9 Ų | 73.9 | 2% | 0.021 | 45% | 0.449 | C | S | . | . | trans | -66.4 | 133 | 169.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | S663 S678 | S663-G665 VanDerWaalsContact C-N 3.29Å; S663-G665 PolarHBondContact OG-O 3.17Å; G665-S678 VanDerWaalsContact CA-O 3.29Å; G665-S678 WeakPolarHBondContact CA-O 3.38Å | ||
| 666 | A | 82.3 | Confident | 72.2 | Confident | 40 Ų | 40 | 75.6 Ų | 75.6 | 33% | 0.331 | 45% | 0.45 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 151.8 | -173.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | W676 S678 | A666-W676 HydrophobicContact CB-CH2 3.92Å; A666-W676 HydrophobicContact CB-CZ3 4.05Å; A666-S678 PolarHBondContact N-O 2.94Å; A666-S678 VanDerWaalsContact N-O 3.13Å; A666-S678 PolarHBondContact O-N 2.61Å |
| 667 | V | 85.9 | Confident | 73.4 | Confident | 51 Ų | 51 | 72.9 Ų | 72.9 | 31% | 0.309 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 130.6 | 177.3 | 178 | 0 | 0 | 0 | 0 | 108.5 | P633 V674 L677 | P633-V667 HydrophobicContact CG-CG2 3.71Å; V667-V674 HydrophobicContact CG1-CB 4.06Å; V667-V674 HydrophobicContact CG1-CG1 3.29Å; V667-V674 HydrophobicContact CG1-CG2 3.66Å; V667-L677 HydrophobicContact CG2-CD1 3.47Å; V667-L677 VanDerWaalsContact CG2-CD1 3.47Å |
| 668 | G | 84.7 | Confident | 74.8 | Confident | 8 Ų | 8 | 71.1 Ų | 71.1 | 8% | 0.082 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 129.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | V674 R675 W676 | G668-V674 WeakPolarHBondContact O-CA 3.32Å; G668-R675 PolarHBondContact O-N 2.81Å; G668-W676 PolarHBondContact N-O 3.48Å |
| 669 | M | 81.9 | Confident | 76.4 | Confident | 145 Ų | 145 | 67.5 Ų | 67.5 | 71% | 0.714 | 41% | 0.408 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 134.7 | 171.9 | -64.3 | -171.2 | -66 | 0 | 0 | 110.5 | K673 V674 | M669-K673 CarbonylContact C-O 3.59Å; M669-K673 VanDerWaalsContact CA-O 3.3Å; M669-K673 WeakPolarHBondContact CA-O 3.44Å; M669-V674 HydrophobicContact CG-CG2 4.17Å |
| 670 | H | 79 | Confident | 78.4 | Confident | 127 Ų | 127 | 60.9 Ų | 60.9 | 59% | 0.588 | 37% | 0.366 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 121.9 | 172.4 | -171.6 | -88.2 | 0 | 0 | 0 | 109.3 | L597 G672 K673 R675 | L597-H670 HydrophobicContact CD1-CB 4.35Å; H670-G672 PolarHBondContact O-N 2.85Å; H670-K673 PolarHBondContact N-O 2.92Å; H670-K673 PolarHBondContact O-N 2.83Å; H670-R675 HydrophobicContact CB-CG 3.9Å |
| 671 | G | 76.6 | Confident | 80.1 | Confident | 79 Ų | 79 | 56.8 Ų | 56.8 | 81% | 0.814 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.7 | 35.5 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114 | K673 | G671-K673 PolarHBondContact O-N 3.48Š|
| 672 | G | 77.3 | Confident | 81.5 | Confident | 76 Ų | 76 | 54.7 Ų | 54.7 | 78% | 0.784 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.1 | 2.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | H670 | H670-G672 PolarHBondContact O-N 2.85Š|
| 673 | K | 79.4 | Confident | 82.9 | Confident | 148 Ų | 148 | 47.4 Ų | 47.4 | 64% | 0.643 | 28% | 0.275 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 147.2 | 172.7 | -65.7 | -173.9 | -179.6 | -175.7 | 0 | 110.8 | M669 H670 G671 | M669-K673 CarbonylContact C-O 3.59Å; M669-K673 VanDerWaalsContact CA-O 3.3Å; M669-K673 WeakPolarHBondContact CA-O 3.44Å; H670-K673 PolarHBondContact N-O 2.92Å; H670-K673 PolarHBondContact O-N 2.83Å; G671-K673 PolarHBondContact O-N 3.48Å |
| 674 | V | 83.1 | Confident | 83.7 | Confident | 35 Ų | 35 | 48.8 Ų | 48.8 | 21% | 0.212 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 125.9 | 170.4 | 174.4 | 0 | 0 | 0 | 0 | 109.1 | F601 I603 V667 G668 M669 | F601-V674 HydrophobicContact CE1-CG1 4.5Å; I603-V674 HydrophobicContact CB-CB 4.41Å; I603-V674 HydrophobicContact CB-CG1 4.1Å; I603-V674 HydrophobicContact CD1-CG1 3.92Å; I603-V674 HydrophobicContact CG2-CB 3.9Å; I603-V674 HydrophobicContact CG2-CG1 4.12Å; I603-V674 HydrophobicContact CG2-CG2 4.35Å; V667-V674 HydrophobicContact CG1-CB 4.06Å; V667-V674 HydrophobicContact CG1-CG1 3.29Å; V667-V674 HydrophobicContact CG1-CG2 3.66Å; G668-V674 WeakPolarHBondContact O-CA 3.32Å; M669-V674 HydrophobicContact CG-CG2 4.17Å |
| 675 | R | 85.3 | Confident | 84.1 | Confident | 80 Ų | 80 | 45.6 Ų | 45.6 | 30% | 0.302 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | -19.5 | -177.6 | -69.4 | -61.3 | -165.2 | 155.5 | 3.8 | 114.3 | L597 F601 G668 H670 | L597-R675 HydrophobicContact CD1-CB 3.91Å; L597-R675 HydrophobicContact CD1-CG 4.14Å; L597-R675 HydrophobicContact CD2-CB 4.14Å; L597-R675 HydrophobicContact CG-CB 4.48Å; F601-R675 WeakPolarHBondContact CD1-O 3.36Å; G668-R675 PolarHBondContact O-N 2.81Å; H670-R675 HydrophobicContact CB-CG 3.9Å |
| 676 | W | 89.8 | Confident | 83.9 | Confident | 76 Ų | 76 | 49.4 Ų | 49.4 | 29% | 0.288 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.6 | 154.7 | 173 | 65.4 | -97.9 | 0 | 0 | 0 | 111 | F573 I575 A666 G668 | F573-W676 VanDerWaalsContact O-CA 3.23Å; F573-W676 WeakPolarHBondContact O-CA 3.5Å; F573-W676 VanDerWaalsContact O-CB 3.24Å; F573-W676 WeakPolarHBondContact O-CB 2.91Å; I575-W676 HydrophobicContact CD1-CB 4.13Å; I575-W676 HydrophobicContact CD1-CD2 4.21Å; I575-W676 HydrophobicContact CD1-CG 4.01Å; I575-W676 HydrophobicContact CG1-CB 3.76Å; I575-W676 HydrophobicContact CG1-CG 4.11Å; A666-W676 HydrophobicContact CB-CH2 3.92Å; A666-W676 HydrophobicContact CB-CZ3 4.05Å; G668-W676 PolarHBondContact N-O 3.48Å |
| 677 | L | 89.1 | Confident | 83.3 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 137.1 | 179.3 | 172 | 70.8 | 0 | 0 | 0 | 109 | V572 F573 F601 I603 L610 V667 M679 | V572-L677 WeakPolarHBondContact CA-O 3.41Å; F573-L677 PolarHBondContact N-O 3.04Å; F573-L677 PolarHBondContact O-N 3.21Å; F573-L677 VanDerWaalsContact O-N 3.08Å; F601-L677 HydrophobicContact CZ-CB 4.17Å; I603-L677 HydrophobicContact CD1-CD2 4.4Å; L610-L677 HydrophobicContact CD1-CD2 3.69Å; L610-L677 HydrophobicContact CD2-CD2 3.97Å; L610-L677 HydrophobicContact CG-CD2 4.39Å; V667-L677 HydrophobicContact CG2-CD1 3.47Å; V667-L677 VanDerWaalsContact CG2-CD1 3.47Å; L677-M679 HydrophobicContact CD2-CE 3.95Å |
| 678 | S | 89.6 | Confident | 82.4 | Confident | 10 Ų | 10 | 48.5 Ų | 48.5 | 7% | 0.07 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 121.4 | 172.6 | 178.4 | 0 | 0 | 0 | 0 | 110.1 | G665 A666 | G665-S678 VanDerWaalsContact CA-O 3.29Å; G665-S678 WeakPolarHBondContact CA-O 3.38Å; A666-S678 PolarHBondContact N-O 2.94Å; A666-S678 VanDerWaalsContact N-O 3.13Å; A666-S678 PolarHBondContact O-N 2.61Å |
| 679 | M | 89.6 | Confident | 81.7 | Confident | 2 Ų | 2 | 50.3 Ų | 50.3 | 1% | 0.01 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 142 | 170.2 | -58.1 | -170.6 | 173.9 | 0 | 0 | 109.3 | F570 V571 F573 L610 C614 C631 L677 F681 | F570-M679 CarbonylContact C-O 3.52Å; F570-M679 WeakPolarHBondContact CA-O 3.38Å; V571-M679 PolarHBondContact N-O 2.93Å; V571-M679 PolarHBondContact O-N 3.18Å; F573-M679 HydrophobicContact CE2-CE 4.48Å; F573-M679 HydrophobicContact CE2-SD 4.37Å; L610-M679 HydrophobicContact CB-CE 3.85Å; L610-M679 HydrophobicContact CD2-CE 3.69Å; L610-M679 HydrophobicContact CG-CE 4.33Å; C614-M679 HydrophobicContact CB-SD 4.29Å; C631-M679 HydrophobicContact CB-CE 4.41Å; C631-M679 HydrophobicContact CB-SD 4.07Å; C631-M679 WeakPolarHBondContact O-CG 3.45Å; L677-M679 HydrophobicContact CD2-CE 3.95Å; M679-F681 HydrophobicContact CB-CD2 4.48Å; M679-F681 HydrophobicContact CB-CE2 3.62Å; M679-F681 HydrophobicContact CB-CZ 3.99Å; M679-F681 HydrophobicContact SD-CZ 4.19Å |
| 680 | A | 88.3 | Confident | 81.2 | Confident | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 133.3 | -180 | 0 | 0 | 0 | 0 | 0 | 111.2 | M568 F570 Q630 H664 | M568-A680 HydrophobicContact CE-CB 4.1Å; F570-A680 HydrophobicContact CD1-CB 3.82Å; F570-A680 HydrophobicContact CE1-CB 3.7Å; Q630-A680 CarbonylContact C-O 3.53Å; Q630-A680 WeakPolarHBondContact CA-O 3.2Å; Q630-A680 HydrophobicContact CB-CB 4.31Å; Q630-A680 WeakPolarHBondContact CB-O 3.46Å; Q630-A680 PolarHBondContact N-O 2.88Å; Q630-A680 PolarHBondContact O-N 2.9Å; H664-A680 HydrophobicContact CB-CB 3.77Å |
| 681 | F | 88.4 | Confident | 80.9 | Confident | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 127.6 | 180 | -59 | -83.5 | 0 | 0 | 0 | 110.6 | V569 V571 V617 V624 G628 A629 M679 S683 W701 | V569-F681 PolarHBondContact N-O 2.9Å; V569-F681 PolarHBondContact O-N 3.42Å; V571-F681 HydrophobicContact CB-CE2 4.18Å; V571-F681 HydrophobicContact CG2-CD2 3.91Å; V571-F681 HydrophobicContact CG2-CE2 3.73Å; V617-F681 HydrophobicContact CB-CD1 4.41Å; V617-F681 HydrophobicContact CB-CE1 3.86Å; V617-F681 HydrophobicContact CB-CZ 3.93Å; V617-F681 HydrophobicContact CG1-CD1 3.61Å; V617-F681 HydrophobicContact CG1-CD2 4.02Å; V617-F681 HydrophobicContact CG1-CE1 3.53Å; V617-F681 HydrophobicContact CG1-CE2 3.95Å; V617-F681 HydrophobicContact CG1-CG 3.86Å; V617-F681 HydrophobicContact CG1-CZ 3.71Å; V617-F681 HydrophobicContact CG2-CZ 4.5Å; V624-F681 HydrophobicContact CG1-CB 4.4Å; V624-F681 HydrophobicContact CG1-CD1 4.45Å; V624-F681 HydrophobicContact CG2-CB 4.25Å; V624-F681 HydrophobicContact CG2-CD1 4.45Å; G628-F681 CarbonylContact O-C 3.5Å; G628-F681 WeakPolarHBondContact O-CA 2.99Å; A629-F681 HydrophobicContact CB-CD1 3.78Å; A629-F681 HydrophobicContact CB-CE1 3.96Å; M679-F681 HydrophobicContact CB-CD2 4.48Å; M679-F681 HydrophobicContact CB-CE2 3.62Å; M679-F681 HydrophobicContact CB-CZ 3.99Å; M679-F681 HydrophobicContact SD-CZ 4.19Å; F681-S683 PolarHBondContact O-N 2.79Å; F681-W701 HydrophobicContact CB-CH2 3.81Å; F681-W701 HydrophobicContact CG-CH2 4.27Å |
| 682 | E | 84.1 | Confident | 80.8 | Confident | 15 Ų | 15 | 40.5 Ų | 40.5 | 7% | 0.07 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 110.4 | 172.6 | -164.2 | -170.9 | 166.9 | 0 | 0 | 109.9 | M568 V624 K625 G628 | M568-E682 HydrophobicContact SD-CB 3.72Å; M568-E682 HydrophobicContact SD-CG 3.83Å; V624-E682 WeakPolarHBondContact CA-O 3.32Å; K625-E682 HydrophobicContact CD-CG 4.06Å; K625-E682 VanDerWaalsContact CD-OE1 3.29Å; K625-E682 WeakPolarHBondContact CD-OE1 3.39Å; K625-E682 PolarHBondContact N-O 3.31Å; K625-E682 IonicContact NZ-OE1 2.61Å; K625-E682 PolarHBondContact NZ-OE1 3.22Å; G628-E682 PolarHBondContact O-N 2.86Å |
| 683 | S | 87.2 | Confident | 80.8 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 151.4 | 179.5 | -174.2 | 0 | 0 | 0 | 0 | 112 | A567 L623 K625 F681 T685 W701 | A567-S683 WeakPolarHBondContact O-CA 3.46Å; A567-S683 WeakPolarHBondContact O-CB 3.05Å; A567-S683 PolarHBondContact O-N 3.12Å; L623-S683 CarbonylContact O-C 3.52Å; L623-S683 VanDerWaalsContact O-CA 3.24Å; L623-S683 WeakPolarHBondContact O-CA 3.07Å; L623-S683 PolarHBondContact O-OG 3.19Å; K625-S683 VanDerWaalsContact CE-O 3.26Å; K625-S683 WeakPolarHBondContact CE-O 3.4Å; F681-S683 PolarHBondContact O-N 2.79Å; S683-T685 PolarHBondContact O-N 2.73Å; S683-T685 WeakPolarHBondContact OG-CB 3.16Å; S683-T685 PolarHBondContact OG-N 3.38Å; S683-T685 VanDerWaalsContact OG-N 3.11Å; S683-T685 PolarHBondContact OG-OG1 2.78Å; S683-T685 VanDerWaalsContact OG-OG1 3.08Å; S683-W701 PolarHBondContact OG-NE1 3.16Å; S683-W701 VanDerWaalsContact OG-NE1 3.11Å |
| 684 | T | 83.9 | Confident | 80.9 | Confident | 59 Ų | 59 | 34.8 Ų | 34.8 | 36% | 0.362 | 17% | 0.168 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -68 | -19.1 | 166.4 | 55 | 0 | 0 | 0 | 0 | 112.3 | K622 L623 K625 Y686 | K622-T684 WeakPolarHBondContact O-CG2 3.48Å; K622-T684 PolarHBondContact O-OG1 3.13Å; L623-T684 PolarHBondContact O-N 3.14Å; L623-T684 PolarHBondContact O-OG1 3.17Å; K625-T684 HydrophobicContact CG-CG2 4.11Å; T684-Y686 PolarHBondContact O-N 2.75Å |
| 685 | T | 82.2 | Confident | 81 | Confident | 4 Ų | 4 | 37.4 Ų | 37.4 | 3% | 0.025 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.3 | 119.1 | 173.9 | -56.6 | 0 | 0 | 0 | 0 | 110.9 | G566 A567 S683 T694 D697 W728 | G566-T685 CarbonylContact C-O 3.56Å; G566-T685 VanDerWaalsContact CA-O 3.26Å; G566-T685 WeakPolarHBondContact CA-O 3.4Å; A567-T685 PolarHBondContact N-O 3.43Å; S683-T685 PolarHBondContact O-N 2.73Å; S683-T685 WeakPolarHBondContact OG-CB 3.16Å; S683-T685 PolarHBondContact OG-N 3.38Å; S683-T685 VanDerWaalsContact OG-N 3.11Å; S683-T685 PolarHBondContact OG-OG1 2.78Å; S683-T685 VanDerWaalsContact OG-OG1 3.08Å; T685-T694 HydrophobicContact CG2-CG2 3.46Å; T685-T694 VanDerWaalsContact CG2-CG2 3.46Å; T685-D697 HydrophobicContact CG2-CB 4.36Å; T685-D697 WeakPolarHBondContact CG2-OD2 3.36Å; T685-D697 WeakPolarHBondContact OG1-CB 3.23Å; T685-D697 PolarHBondContact OG1-OD2 3.43Å; T685-W728 HydrophobicContact CG2-CH2 4.3Å; T685-W728 HydrophobicContact CG2-CZ3 4.5Å |
| 686 | Y | 75 | Confident | 81.1 | Confident | 83 Ų | 83 | 36 Ų | 36 | 33% | 0.325 | 18% | 0.176 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 141.4 | 176.7 | 67.3 | -84.2 | 0 | 0 | 0 | 111 | S328 T565 T684 G688 K689 | S328-Y686 WeakPolarHBondContact O-CD2 3.18Å; T565-Y686 WeakPolarHBondContact O-CA 3.39Å; T684-Y686 PolarHBondContact O-N 2.75Å; Y686-G688 PolarHBondContact O-N 3.04Å; Y686-K689 HydrophobicContact CD1-CB 4.22Å; Y686-K689 HydrophobicContact CD1-CD 4.46Å; Y686-K689 HydrophobicContact CD2-CB 4.13Å; Y686-K689 HydrophobicContact CE1-CB 3.73Å; Y686-K689 HydrophobicContact CE1-CD 3.85Å; Y686-K689 HydrophobicContact CE1-CG 3.85Å; Y686-K689 VanDerWaalsContact CE2-CA 3.47Å; Y686-K689 HydrophobicContact CE2-CB 3.64Å; Y686-K689 HydrophobicContact CE2-CG 4.42Å; Y686-K689 HydrophobicContact CG-CB 4.4Å; Y686-K689 VanDerWaalsContact CZ-CB 3.4Å; Y686-K689 PolarHBondContact O-N 3.43Å |
| 687 | K | 68.6 | Low | 81.1 | Confident | 52 Ų | 52 | 33.1 Ų | 33.1 | 23% | 0.226 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -6 | -174 | -65.8 | 177.9 | -177.8 | 160.7 | 0 | 115.1 | D564 T565 G566 H727 | D564-K687 PolarHBondContact O-NZ 3.41Å; D564-K687 IonicContact OD1-NZ 3.61Å; D564-K687 PolarHBondContact OD1-NZ 2.7Å; D564-K687 IonicContact OD2-NZ 3.88Å; D564-K687 PolarHBondContact OD2-NZ 3.46Å; T565-K687 PolarHBondContact O-N 3.33Å; G566-K687 VanDerWaalsContact O-CE 3.25Å; G566-K687 WeakPolarHBondContact O-CE 3.44Å; K687-H727 PolarHBondContact O-CE1 3.32Å |
| 688 | G | 66.3 | Low | 81.2 | Confident | 20 Ų | 20 | 34.5 Ų | 34.5 | 21% | 0.206 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.9 | 5 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | Y686 | Y686-G688 PolarHBondContact O-N 3.04Š|
| 689 | K | 71 | Confident | 81.3 | Confident | 45 Ų | 45 | 37 Ų | 37 | 20% | 0.196 | 19% | 0.185 | C | C | . | . | S | Bend | trans | -76.2 | 147.7 | 179.2 | -163.9 | 176.9 | -173.9 | -173.5 | 0 | 109.6 | Y686 Q693 T694 D697 | Y686-K689 HydrophobicContact CD1-CB 4.22Å; Y686-K689 HydrophobicContact CD1-CD 4.46Å; Y686-K689 HydrophobicContact CD2-CB 4.13Å; Y686-K689 HydrophobicContact CE1-CB 3.73Å; Y686-K689 HydrophobicContact CE1-CD 3.85Å; Y686-K689 HydrophobicContact CE1-CG 3.85Å; Y686-K689 VanDerWaalsContact CE2-CA 3.47Å; Y686-K689 HydrophobicContact CE2-CB 3.64Å; Y686-K689 HydrophobicContact CE2-CG 4.42Å; Y686-K689 HydrophobicContact CG-CB 4.4Å; Y686-K689 VanDerWaalsContact CZ-CB 3.4Å; Y686-K689 PolarHBondContact O-N 3.43Å; K689-Q693 HydrophobicContact CD-CB 4.31Å; K689-Q693 HydrophobicContact CG-CB 4.01Å; K689-T694 WeakPolarHBondContact CB-OG1 2.9Å; K689-T694 PolarHBondContact O-OG1 3.42Å; K689-D697 WeakPolarHBondContact CD-OD2 3.33Å; K689-D697 IonicContact NZ-OD1 2.88Å; K689-D697 PolarHBondContact NZ-OD1 3.47Å; K689-D697 IonicContact NZ-OD2 3.81Å; K689-D697 PolarHBondContact NZ-OD2 3.45Å |
| 690 | S | 70.8 | Confident | 81.4 | Confident | 25 Ų | 25 | 41.9 Ų | 41.9 | 18% | 0.175 | 21% | 0.208 | C | C | . | . | trans | -65.7 | 142.7 | -178 | 69.7 | 0 | 0 | 0 | 0 | 111.1 | T305 F692 Q693 T694 | T305-S690 VanDerWaalsContact O-CB 3.22Å; T305-S690 WeakPolarHBondContact O-CB 3.36Å; S690-F692 VanDerWaalsContact C-N 3.26Å; S690-F692 PolarHBondContact O-N 2.94Å; S690-F692 VanDerWaalsContact O-N 3.14Å; S690-Q693 CarbonylContact O-C 3.56Å; S690-Q693 WeakPolarHBondContact O-CA 3.46Å; S690-Q693 PolarHBondContact O-N 3.5Å; S690-Q693 VanDerWaalsContact OG-CG 3.27Å; S690-Q693 WeakPolarHBondContact OG-CG 3.13Å; S690-T694 PolarHBondContact O-N 3.28Å; S690-T694 PolarHBondContact O-OG1 2.99Å | ||
| 691 | S | 74.2 | Confident | 81.6 | Confident | 15 Ų | 15 | 41.9 Ų | 41.9 | 11% | 0.105 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -56.2 | -37.3 | -171.8 | -65 | 0 | 0 | 0 | 0 | 113.6 | T694 Y695 I731 E734 | S691-T694 PolarHBondContact O-N 3.28Å; S691-Y695 PolarHBondContact O-N 3.45Å; S691-I731 WeakPolarHBondContact O-CG2 3.36Å; S691-E734 WeakPolarHBondContact CB-OE2 3.45Å; S691-E734 VanDerWaalsContact OG-CD 3.27Å; S691-E734 PolarHBondContact OG-OE2 3.49Å |
| 692 | F | 73.9 | Confident | 81.9 | Confident | 105 Ų | 105 | 43.7 Ų | 43.7 | 46% | 0.461 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -64.4 | -40.2 | 173.3 | -72 | -76.1 | 0 | 0 | 0 | 113.8 | P303 S690 | P303-F692 HydrophobicContact CB-CE2 4.5Å; S690-F692 VanDerWaalsContact C-N 3.26Å; S690-F692 PolarHBondContact O-N 2.94Å; S690-F692 VanDerWaalsContact O-N 3.14Å |
| 693 | Q | 76.9 | Confident | 82.4 | Confident | 104 Ų | 104 | 47.8 Ų | 47.8 | 49% | 0.486 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -74.2 | -35 | 176.4 | -67.5 | 178.8 | -10.1 | 0 | 0 | 111.2 | K689 S690 Y695 S696 | K689-Q693 HydrophobicContact CD-CB 4.31Å; K689-Q693 HydrophobicContact CG-CB 4.01Å; S690-Q693 CarbonylContact O-C 3.56Å; S690-Q693 WeakPolarHBondContact O-CA 3.46Å; S690-Q693 PolarHBondContact O-N 3.5Å; S690-Q693 VanDerWaalsContact OG-CG 3.27Å; S690-Q693 WeakPolarHBondContact OG-CG 3.13Å; Q693-Y695 VanDerWaalsContact C-N 3.29Å; Q693-Y695 PolarHBondContact O-N 3.14Å; Q693-S696 WeakPolarHBondContact O-CB 3.31Å; Q693-S696 PolarHBondContact O-N 3.29Å; Q693-S696 VanDerWaalsContact O-N 3.15Å; Q693-S696 PolarHBondContact O-OG 3.37Å |
| 694 | T | 82.2 | Confident | 82.7 | Confident | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -70.2 | -27.7 | 178.5 | -43.2 | 0 | 0 | 0 | 0 | 112 | T685 K689 S690 S691 S696 D697 F698 W728 I731 | T685-T694 HydrophobicContact CG2-CG2 3.46Å; T685-T694 VanDerWaalsContact CG2-CG2 3.46Å; K689-T694 WeakPolarHBondContact CB-OG1 2.9Å; K689-T694 PolarHBondContact O-OG1 3.42Å; S690-T694 PolarHBondContact O-N 3.28Å; S690-T694 PolarHBondContact O-OG1 2.99Å; S691-T694 PolarHBondContact O-N 3.28Å; T694-S696 VanDerWaalsContact C-N 3.26Å; T694-S696 PolarHBondContact O-N 3.04Å; T694-D697 WeakPolarHBondContact O-CB 3.34Å; T694-D697 PolarHBondContact O-N 3.4Å; T694-D697 VanDerWaalsContact O-N 3.09Å; T694-F698 PolarHBondContact O-N 3.44Å; T694-W728 HydrophobicContact CG2-CZ3 3.86Å; T694-I731 HydrophobicContact CG2-CD1 3.26Å; T694-I731 HydrophobicContact CG2-CG1 4.31Å |
| 695 | Y | 85.4 | Confident | 83.2 | Confident | 91 Ų | 91 | 46.7 Ų | 46.7 | 36% | 0.357 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -60.4 | -34.8 | 169.3 | -176.5 | -111.7 | 0 | 0 | 0 | 112.7 | S691 Q693 D697 F698 L699 F732 I735 | S691-Y695 PolarHBondContact O-N 3.45Å; Q693-Y695 VanDerWaalsContact C-N 3.29Å; Q693-Y695 PolarHBondContact O-N 3.14Å; Y695-D697 VanDerWaalsContact C-N 3.3Å; Y695-D697 PolarHBondContact O-N 2.88Å; Y695-F698 HydrophobicContact CD2-CD1 4.24Å; Y695-F698 HydrophobicContact CE2-CD1 4.06Å; Y695-F698 WeakPolarHBondContact O-CB 3.27Å; Y695-F698 PolarHBondContact O-N 3.3Å; Y695-L699 HydrophobicContact CD1-CD1 4.08Å; Y695-L699 HydrophobicContact CD1-CG 4.48Å; Y695-L699 HydrophobicContact CE1-CD1 3.67Å; Y695-L699 HydrophobicContact CE1-CG 4.11Å; Y695-L699 WeakPolarHBondContact O-CG 3.16Å; Y695-L699 PolarHBondContact O-N 3.39Å; Y695-F732 HydrophobicContact CD2-CE1 4.13Å; Y695-F732 AromaticContact CE2-CE1 3.75Å; Y695-F732 HydrophobicContact CE2-CE1 3.75Å; Y695-F732 HydrophobicContact CE2-CZ 4.34Å; Y695-I735 HydrophobicContact CD2-CD1 4.04Å; Y695-I735 HydrophobicContact CG-CD1 3.92Å |
| 696 | S | 87.2 | Confident | 83.7 | Confident | 49 Ų | 49 | 51.5 Ų | 51.5 | 34% | 0.343 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -66 | -33.7 | 173.7 | 77.6 | 0 | 0 | 0 | 0 | 112.4 | Q693 T694 L699 Q700 | Q693-S696 WeakPolarHBondContact O-CB 3.31Å; Q693-S696 PolarHBondContact O-N 3.29Å; Q693-S696 VanDerWaalsContact O-N 3.15Å; Q693-S696 PolarHBondContact O-OG 3.37Å; T694-S696 VanDerWaalsContact C-N 3.26Å; T694-S696 PolarHBondContact O-N 3.04Å; S696-L699 PolarHBondContact O-N 3.1Å; S696-Q700 WeakPolarHBondContact O-CG 3.38Å; S696-Q700 PolarHBondContact O-N 2.97Å; S696-Q700 VanDerWaalsContact O-N 3.09Å |
| 697 | D | 88.6 | Confident | 84.6 | Confident | 17 Ų | 17 | 53.8 Ų | 53.8 | 9% | 0.091 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -71.2 | -37.6 | 174.5 | -60.1 | -12.1 | 0 | 0 | 0 | 111 | T685 K689 T694 Y695 Q700 W701 W728 | T685-D697 HydrophobicContact CG2-CB 4.36Å; T685-D697 WeakPolarHBondContact CG2-OD2 3.36Å; T685-D697 WeakPolarHBondContact OG1-CB 3.23Å; T685-D697 PolarHBondContact OG1-OD2 3.43Å; K689-D697 WeakPolarHBondContact CD-OD2 3.33Å; K689-D697 IonicContact NZ-OD1 2.88Å; K689-D697 PolarHBondContact NZ-OD1 3.47Å; K689-D697 IonicContact NZ-OD2 3.81Å; K689-D697 PolarHBondContact NZ-OD2 3.45Å; T694-D697 WeakPolarHBondContact O-CB 3.34Å; T694-D697 PolarHBondContact O-N 3.4Å; T694-D697 VanDerWaalsContact O-N 3.09Å; Y695-D697 VanDerWaalsContact C-N 3.3Å; Y695-D697 PolarHBondContact O-N 2.88Å; D697-Q700 PolarHBondContact O-N 3.25Å; D697-W701 PolarHBondContact O-N 3.22Å; D697-W728 HydrophobicContact CB-CH2 4.37Å |
| 698 | F | 91 | Very high | 85.7 | Confident | 28 Ų | 28 | 53.1 Ų | 53.1 | 12% | 0.123 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -58.1 | -47.8 | 171.6 | 167.9 | -92.5 | 0 | 0 | 0 | 111.1 | T694 Y695 Q700 W701 E702 W728 F732 | T694-F698 PolarHBondContact O-N 3.44Å; Y695-F698 HydrophobicContact CD2-CD1 4.24Å; Y695-F698 HydrophobicContact CE2-CD1 4.06Å; Y695-F698 WeakPolarHBondContact O-CB 3.27Å; Y695-F698 PolarHBondContact O-N 3.3Å; F698-Q700 VanDerWaalsContact C-N 3.31Å; F698-Q700 PolarHBondContact O-N 3.3Å; F698-W701 WeakPolarHBondContact O-CB 3.36Å; F698-W701 PolarHBondContact O-N 3.42Å; F698-E702 HydrophobicContact CE1-CB 4.18Å; F698-E702 HydrophobicContact CE1-CG 4.4Å; F698-E702 HydrophobicContact CZ-CB 4.19Å; F698-E702 HydrophobicContact CZ-CG 4.25Å; F698-E702 WeakPolarHBondContact O-CB 3.34Å; F698-E702 PolarHBondContact O-N 3.36Å; F698-W728 HydrophobicContact CB-CD2 4.32Å; F698-W728 HydrophobicContact CB-CE3 3.86Å; F698-W728 HydrophobicContact CB-CH2 4.29Å; F698-W728 HydrophobicContact CB-CZ3 3.82Å; F698-W728 HydrophobicContact CD2-CB 4.44Å; F698-W728 AromaticContact CD2-CD1 3.98Å; F698-W728 AromaticContact CD2-CD2 3.91Å; F698-W728 HydrophobicContact CD2-CD2 3.91Å; F698-W728 HydrophobicContact CD2-CE3 4.27Å; F698-W728 AromaticContact CD2-CG 3.91Å; F698-W728 HydrophobicContact CD2-CG 3.91Å; F698-F732 AromaticContact CD1-CZ 3.77Å; F698-F732 HydrophobicContact CD1-CZ 3.77Å; F698-F732 HydrophobicContact CD2-CE2 4.05Å; F698-F732 HydrophobicContact CD2-CZ 4.03Å; F698-F732 HydrophobicContact CE1-CE1 4.43Å; F698-F732 HydrophobicContact CE1-CE2 4.42Å; F698-F732 AromaticContact CE1-CZ 3.56Å; F698-F732 HydrophobicContact CE1-CZ 3.56Å; F698-F732 AromaticContact CE2-CE2 3.85Å; F698-F732 HydrophobicContact CE2-CE2 3.85Å; F698-F732 AromaticContact CE2-CZ 3.8Å; F698-F732 HydrophobicContact CE2-CZ 3.8Å; F698-F732 HydrophobicContact CG-CE2 4.42Å; F698-F732 HydrophobicContact CG-CZ 4.02Å; F698-F732 HydrophobicContact CZ-CE2 4.07Å; F698-F732 AromaticContact CZ-CZ 3.59Å; F698-F732 HydrophobicContact CZ-CZ 3.59Å |
| 699 | L | 91.6 | Very high | 86.9 | Confident | 63 Ų | 63 | 52.7 Ų | 52.7 | 33% | 0.33 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -62.3 | -37.5 | 178.2 | -72.1 | 174.4 | 0 | 0 | 0 | 112.2 | Y695 S696 E702 N703 | Y695-L699 HydrophobicContact CD1-CD1 4.08Å; Y695-L699 HydrophobicContact CD1-CG 4.48Å; Y695-L699 HydrophobicContact CE1-CD1 3.67Å; Y695-L699 HydrophobicContact CE1-CG 4.11Å; Y695-L699 WeakPolarHBondContact O-CG 3.16Å; Y695-L699 PolarHBondContact O-N 3.39Å; S696-L699 PolarHBondContact O-N 3.1Å; L699-E702 PolarHBondContact O-N 3.45Å; L699-N703 VanDerWaalsContact O-CB 3.29Å; L699-N703 WeakPolarHBondContact O-CB 3.29Å; L699-N703 PolarHBondContact O-N 3.42Å; L699-N703 PolarHBondContact O-ND2 3.35Å |
| 700 | Q | 92.1 | Very high | 87.8 | Confident | 104 Ų | 104 | 54.2 Ų | 54.2 | 49% | 0.486 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -63.6 | -43 | 174.4 | -71.6 | 173.6 | 24.4 | 0 | 0 | 112 | L623 S696 D697 F698 F704 | L623-Q700 HydrophobicContact CD2-CB 4.07Å; S696-Q700 WeakPolarHBondContact O-CG 3.38Å; S696-Q700 PolarHBondContact O-N 2.97Å; S696-Q700 VanDerWaalsContact O-N 3.09Å; D697-Q700 PolarHBondContact O-N 3.25Å; F698-Q700 VanDerWaalsContact C-N 3.31Å; F698-Q700 PolarHBondContact O-N 3.3Å; Q700-F704 VanDerWaalsContact O-CB 3.25Å; Q700-F704 WeakPolarHBondContact O-CB 3.23Å; Q700-F704 PolarHBondContact O-N 2.89Å; Q700-F704 VanDerWaalsContact O-N 3.13Å |
| 701 | W | 93.3 | Very high | 88.8 | Confident | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -63.5 | -46.8 | 174 | -95.2 | 98.6 | 0 | 0 | 0 | 112 | V569 V617 L623 V624 F681 S683 D697 F698 F704 I705 W728 | V569-W701 HydrophobicContact CB-CH2 4.2Å; V569-W701 HydrophobicContact CB-CZ2 4.21Å; V569-W701 HydrophobicContact CB-CZ3 4.37Å; V569-W701 HydrophobicContact CG1-CD2 4.17Å; V569-W701 HydrophobicContact CG1-CE3 3.88Å; V569-W701 HydrophobicContact CG1-CH2 4.29Å; V569-W701 HydrophobicContact CG1-CZ3 3.95Å; V569-W701 HydrophobicContact CG2-CD2 4.31Å; V569-W701 HydrophobicContact CG2-CZ2 4.15Å; V617-W701 HydrophobicContact CG1-CH2 3.96Å; V617-W701 HydrophobicContact CG1-CZ3 3.94Å; L623-W701 HydrophobicContact CB-CD2 4.43Å; L623-W701 HydrophobicContact CB-CZ2 3.86Å; L623-W701 HydrophobicContact CD1-CD2 4.32Å; L623-W701 HydrophobicContact CD2-CG 4.28Å; V624-W701 HydrophobicContact CG2-CH2 3.5Å; V624-W701 HydrophobicContact CG2-CZ2 3.68Å; F681-W701 HydrophobicContact CB-CH2 3.81Å; F681-W701 HydrophobicContact CG-CH2 4.27Å; S683-W701 PolarHBondContact OG-NE1 3.16Å; S683-W701 VanDerWaalsContact OG-NE1 3.11Å; D697-W701 PolarHBondContact O-N 3.22Å; F698-W701 WeakPolarHBondContact O-CB 3.36Å; F698-W701 PolarHBondContact O-N 3.42Å; W701-F704 PolarHBondContact O-N 2.8Å; W701-I705 HydrophobicContact CE3-CD1 4.29Å; W701-I705 HydrophobicContact CE3-CG1 3.97Å; W701-I705 HydrophobicContact CZ3-CD1 4.19Å; W701-I705 HydrophobicContact CZ3-CG1 4.37Å; W701-I705 WeakPolarHBondContact O-CB 3.32Å; W701-I705 VanDerWaalsContact O-CG1 3.29Å; W701-I705 WeakPolarHBondContact O-CG1 3.41Å; W701-I705 PolarHBondContact O-N 2.99Å; W701-W728 HydrophobicContact CG-CZ2 4.42Å |
| 702 | E | 93.6 | Very high | 89.4 | Confident | 39 Ų | 39 | 56.3 Ų | 56.3 | 18% | 0.182 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -62.3 | -50.1 | -178.3 | -169.8 | 61.2 | -154.5 | 0 | 0 | 111.2 | F698 L699 F704 I705 Q706 Q723 | F698-E702 HydrophobicContact CE1-CB 4.18Å; F698-E702 HydrophobicContact CE1-CG 4.4Å; F698-E702 HydrophobicContact CZ-CB 4.19Å; F698-E702 HydrophobicContact CZ-CG 4.25Å; F698-E702 WeakPolarHBondContact O-CB 3.34Å; F698-E702 PolarHBondContact O-N 3.36Å; L699-E702 PolarHBondContact O-N 3.45Å; E702-F704 VanDerWaalsContact C-N 3.32Å; E702-F704 PolarHBondContact O-N 2.9Å; E702-I705 PolarHBondContact O-N 3.47Å; E702-Q706 WeakPolarHBondContact O-CB 3.42Å; E702-Q706 WeakPolarHBondContact O-CG 3.29Å; E702-Q706 PolarHBondContact O-N 3.31Å; E702-Q706 PolarHBondContact OE1-NE2 3.39Å; E702-Q723 VanDerWaalsContact OE2-CG 3.24Å; E702-Q723 WeakPolarHBondContact OE2-CG 3.33Å; E702-Q723 PolarHBondContact OE2-NE2 2.77Å |
| 703 | N | 94.8 | Very high | 90 | Very high | 101 Ų | 101 | 54.1 Ų | 54.1 | 54% | 0.54 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -60.2 | -43.3 | 178.2 | -70 | -17.5 | 0 | 0 | 0 | 111.5 | L699 E707 | L699-N703 VanDerWaalsContact O-CB 3.29Å; L699-N703 WeakPolarHBondContact O-CB 3.29Å; L699-N703 PolarHBondContact O-N 3.42Å; L699-N703 PolarHBondContact O-ND2 3.35Å; N703-E707 WeakPolarHBondContact O-CB 3.33Å; N703-E707 PolarHBondContact O-N 3.02Å |
| 704 | F | 94.6 | Very high | 90.1 | Very high | 33 Ų | 33 | 57.9 Ų | 57.9 | 15% | 0.145 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -66.9 | -43.7 | 179.8 | 177.9 | -105.9 | 0 | 0 | 0 | 112.2 | V617 N620 L623 Q700 W701 E702 E707 Q708 | V617-F704 HydrophobicContact CB-CE1 4.37Å; V617-F704 HydrophobicContact CG2-CE1 3.95Å; N620-F704 HydrophobicContact CB-CE1 4.38Å; N620-F704 HydrophobicContact CB-CZ 4.07Å; N620-F704 WeakPolarHBondContact ND2-CE2 3.5Å; L623-F704 HydrophobicContact CD1-CB 3.81Å; L623-F704 HydrophobicContact CD1-CD1 3.57Å; L623-F704 HydrophobicContact CD1-CE1 4.29Å; L623-F704 HydrophobicContact CD1-CG 3.72Å; Q700-F704 VanDerWaalsContact O-CB 3.25Å; Q700-F704 WeakPolarHBondContact O-CB 3.23Å; Q700-F704 PolarHBondContact O-N 2.89Å; Q700-F704 VanDerWaalsContact O-N 3.13Å; W701-F704 PolarHBondContact O-N 2.8Å; E702-F704 VanDerWaalsContact C-N 3.32Å; E702-F704 PolarHBondContact O-N 2.9Å; F704-E707 PolarHBondContact O-N 3.25Å; F704-Q708 HydrophobicContact CE1-CG 4.29Å; F704-Q708 HydrophobicContact CE2-CG 4.42Å; F704-Q708 HydrophobicContact CZ-CG 4.15Å; F704-Q708 WeakPolarHBondContact O-CG 3.18Å; F704-Q708 PolarHBondContact O-N 3.01Å |
| 705 | I | 93.5 | Very high | 90 | Very high | 3 Ų | 3 | 64.3 Ų | 64.3 | 2% | 0.015 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -66.5 | -45 | 177.6 | -68.2 | -63.3 | 0 | 0 | 0 | 110.2 | V571 V617 W701 E702 E707 Q708 L709 Q723 | V571-I705 HydrophobicContact CG2-CD1 3.94Å; V617-I705 HydrophobicContact CG2-CD1 3.86Å; W701-I705 HydrophobicContact CE3-CD1 4.29Å; W701-I705 HydrophobicContact CE3-CG1 3.97Å; W701-I705 HydrophobicContact CZ3-CD1 4.19Å; W701-I705 HydrophobicContact CZ3-CG1 4.37Å; W701-I705 WeakPolarHBondContact O-CB 3.32Å; W701-I705 VanDerWaalsContact O-CG1 3.29Å; W701-I705 WeakPolarHBondContact O-CG1 3.41Å; W701-I705 PolarHBondContact O-N 2.99Å; E702-I705 PolarHBondContact O-N 3.47Å; I705-E707 VanDerWaalsContact C-N 3.29Å; I705-E707 PolarHBondContact O-N 3.32Å; I705-Q708 PolarHBondContact O-N 3.46Å; I705-Q708 VanDerWaalsContact O-N 3.11Å; I705-L709 HydrophobicContact CG2-CD1 3.68Å; I705-L709 HydrophobicContact CG2-CG 4.14Å; I705-L709 WeakPolarHBondContact O-CG 3.35Å; I705-L709 PolarHBondContact O-N 3.36Å; I705-Q723 HydrophobicContact CG1-CB 4.5Å |
| 706 | Q | 93.3 | Very high | 90 | Very high | 105 Ų | 105 | 60.3 Ų | 60.3 | 49% | 0.491 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -59.6 | -38.5 | 175.5 | -74 | -169.1 | 5.9 | 0 | 0 | 112.5 | E702 L709 A710 | E702-Q706 WeakPolarHBondContact O-CB 3.42Å; E702-Q706 WeakPolarHBondContact O-CG 3.29Å; E702-Q706 PolarHBondContact O-N 3.31Å; E702-Q706 PolarHBondContact OE1-NE2 3.39Å; Q706-L709 PolarHBondContact O-N 3.46Å; Q706-A710 VanDerWaalsContact O-CB 3.25Å; Q706-A710 WeakPolarHBondContact O-CB 3.4Å; Q706-A710 PolarHBondContact O-N 3Å |
| 707 | E | 93.8 | Very high | 89.9 | Confident | 130 Ų | 130 | 58.4 Ų | 58.4 | 61% | 0.607 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -62.4 | -42.8 | 173.9 | -172.7 | -179 | -171.6 | 0 | 0 | 112 | N703 F704 I705 A710 S711 | N703-E707 WeakPolarHBondContact O-CB 3.33Å; N703-E707 PolarHBondContact O-N 3.02Å; F704-E707 PolarHBondContact O-N 3.25Å; I705-E707 VanDerWaalsContact C-N 3.29Å; I705-E707 PolarHBondContact O-N 3.32Å; E707-A710 PolarHBondContact O-N 3.05Å; E707-S711 PolarHBondContact O-N 3.46Å; E707-S711 VanDerWaalsContact O-N 3.16Å |
| 708 | Q | 92.8 | Very high | 89.7 | Confident | 38 Ų | 38 | 57.6 Ų | 57.6 | 18% | 0.178 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -65.9 | -39.2 | 175.4 | -65.9 | -50.7 | -71.6 | 0 | 0 | 112.3 | A616 F704 I705 S711 | A616-Q708 VanDerWaalsContact CB-OE1 3.25Å; F704-Q708 HydrophobicContact CE1-CG 4.29Å; F704-Q708 HydrophobicContact CE2-CG 4.42Å; F704-Q708 HydrophobicContact CZ-CG 4.15Å; F704-Q708 WeakPolarHBondContact O-CG 3.18Å; F704-Q708 PolarHBondContact O-N 3.01Å; I705-Q708 PolarHBondContact O-N 3.46Å; I705-Q708 VanDerWaalsContact O-N 3.11Å; Q708-S711 PolarHBondContact O-N 3.49Å; Q708-S711 PolarHBondContact O-OG 2.88Å |
| 709 | L | 91.3 | Very high | 89.6 | Confident | 12 Ų | 12 | 59.5 Ų | 59.5 | 6% | 0.063 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -68.8 | -40.7 | 177.6 | -63.8 | 169.9 | 0 | 0 | 0 | 111.6 | F573 I705 Q706 S711 L712 L718 G721 | F573-L709 HydrophobicContact CE1-CD2 3.73Å; F573-L709 HydrophobicContact CZ-CD2 4.46Å; I705-L709 HydrophobicContact CG2-CD1 3.68Å; I705-L709 HydrophobicContact CG2-CG 4.14Å; I705-L709 WeakPolarHBondContact O-CG 3.35Å; I705-L709 PolarHBondContact O-N 3.36Å; Q706-L709 PolarHBondContact O-N 3.46Å; L709-S711 PolarHBondContact O-N 2.89Å; L709-L712 HydrophobicContact CD2-CD1 4.39Å; L709-L712 WeakPolarHBondContact O-CB 3.22Å; L709-L712 PolarHBondContact O-N 2.77Å; L709-L712 VanDerWaalsContact O-N 3.17Å; L709-L718 VanDerWaalsContact CD2-O 3.25Å; L709-L718 WeakPolarHBondContact CD2-O 3.31Å; L709-G721 WeakPolarHBondContact CD1-O 3.46Å |
| 710 | A | 90.1 | Very high | 89.4 | Confident | 77 Ų | 77 | 62.9 Ų | 62.9 | 64% | 0.636 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -65.7 | -25.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q706 E707 L712 | Q706-A710 VanDerWaalsContact O-CB 3.25Å; Q706-A710 WeakPolarHBondContact O-CB 3.4Å; Q706-A710 PolarHBondContact O-N 3Å; E707-A710 PolarHBondContact O-N 3.05Å; A710-L712 PolarHBondContact O-N 3.36Å |
| 711 | S | 90 | Very high | 89.3 | Confident | 71 Ų | 71 | 58.4 Ų | 58.4 | 50% | 0.497 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.2 | -10.7 | 175.5 | 81.6 | 0 | 0 | 0 | 0 | 114.3 | E707 Q708 L709 | E707-S711 PolarHBondContact O-N 3.46Å; E707-S711 VanDerWaalsContact O-N 3.16Å; Q708-S711 PolarHBondContact O-N 3.49Å; Q708-S711 PolarHBondContact O-OG 2.88Å; L709-S711 PolarHBondContact O-N 2.89Å |
| 712 | L | 87.9 | Confident | 89.2 | Confident | 12 Ų | 12 | 62 Ų | 62 | 6% | 0.063 | 33% | 0.327 | C | S | . | . | S | Bend | trans | -84.4 | 154.7 | -179.4 | -60.2 | 170.3 | 0 | 0 | 0 | 111.6 | H609 I613 L709 A710 L718 Q719 | H609-L712 HydrophobicContact CB-CD2 3.88Å; I613-L712 HydrophobicContact CD1-CD1 3.83Å; L709-L712 HydrophobicContact CD2-CD1 4.39Å; L709-L712 WeakPolarHBondContact O-CB 3.22Å; L709-L712 PolarHBondContact O-N 2.77Å; L709-L712 VanDerWaalsContact O-N 3.17Å; A710-L712 PolarHBondContact O-N 3.36Å; L712-L718 HydrophobicContact CD1-CB 3.65Å; L712-L718 HydrophobicContact CD1-CD1 4.24Å; L712-Q719 HydrophobicContact CB-CG 4.22Å; L712-Q719 PolarHBondContact O-NE2 3.4Å |
| 713 | P | 86.2 | Confident | 89.2 | Confident | 59 Ų | 59 | 60.8 Ų | 60.8 | 38% | 0.383 | 32% | 0.321 | S | S | . | . | trans | -57.9 | 143 | 175.1 | -18.6 | 29.9 | 0 | 0 | 0 | 111.7 | T715 S716 | P713-T715 PolarHBondContact O-N 3.38Å; P713-S716 WeakPolarHBondContact O-CB 3.46Å; P713-S716 PolarHBondContact O-N 2.95Å | ||
| 714 | Q | 79.1 | Confident | 88.9 | Confident | 184 Ų | 184 | 58.9 Ų | 58.9 | 86% | 0.86 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | -19.4 | 177.9 | -74.7 | -177.7 | -7.1 | 0 | 0 | 114 | ||
| 715 | T | 79.1 | Confident | 88.6 | Confident | 135 Ų | 135 | 57.6 Ų | 57.6 | 83% | 0.828 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.5 | -9.1 | 176.6 | 56 | 0 | 0 | 0 | 0 | 113.7 | P713 | P713-T715 PolarHBondContact O-N 3.38Š|
| 716 | S | 85.3 | Confident | 88.1 | Confident | 7 Ų | 7 | 64.3 Ų | 64.3 | 5% | 0.049 | 34% | 0.34 | C | S | . | . | trans | -80.9 | 127 | -177.5 | -179.1 | 0 | 0 | 0 | 0 | 110.7 | E606 P713 L718 Q719 | E606-S716 WeakPolarHBondContact OE1-CA 3.41Å; E606-S716 PolarHBondContact OE1-OG 3.41Å; E606-S716 PolarHBondContact OE2-OG 2.98Å; P713-S716 WeakPolarHBondContact O-CB 3.46Å; P713-S716 PolarHBondContact O-N 2.95Å; S716-L718 PolarHBondContact O-N 3.29Å; S716-L718 VanDerWaalsContact O-N 3.11Å; S716-L718 WeakPolarHBondContact OG-CB 3.44Å; S716-L718 PolarHBondContact OG-N 3.46Å; S716-Q719 PolarHBondContact O-N 2.97Å | ||
| 717 | A | 85.5 | Confident | 87.5 | Confident | 8 Ų | 8 | 60 Ų | 60 | 7% | 0.066 | 32% | 0.32 | C | S | . | . | G | 310 helix | trans | -64 | -14.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | D600 F601 E606 Q719 | D600-A717 HydrophobicContact CB-CB 4.15Å; F601-A717 HydrophobicContact CB-CB 4.27Å; E606-A717 PolarHBondContact OE1-N 3.29Å; A717-Q719 VanDerWaalsContact C-N 3.3Å; A717-Q719 PolarHBondContact O-N 2.96Å |
| 718 | L | 85.8 | Confident | 87.2 | Confident | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 29% | 0.292 | C | S | . | . | G | 310 helix | trans | -69.1 | -23 | 179.7 | -63.1 | -179.2 | 0 | 0 | 0 | 113.7 | F573 F601 E606 H609 L610 I613 L709 L712 S716 R720 G721 | F573-L718 HydrophobicContact CB-CD2 4.13Å; F573-L718 HydrophobicContact CD1-CB 4.23Å; F573-L718 HydrophobicContact CD1-CD2 3.68Å; F573-L718 HydrophobicContact CE1-CB 4.31Å; F573-L718 HydrophobicContact CE1-CD2 4.22Å; F573-L718 HydrophobicContact CG-CD2 3.93Å; F601-L718 HydrophobicContact CD2-CD2 4.31Å; F601-L718 HydrophobicContact CE2-CD2 3.8Å; E606-L718 HydrophobicContact CB-CD1 3.95Å; E606-L718 HydrophobicContact CB-CD2 4.06Å; E606-L718 HydrophobicContact CB-CG 3.91Å; E606-L718 HydrophobicContact CG-CD1 4.47Å; E606-L718 HydrophobicContact CG-CD2 4.42Å; E606-L718 HydrophobicContact CG-CG 4.05Å; H609-L718 HydrophobicContact CB-CD1 3.43Å; H609-L718 VanDerWaalsContact CB-CD1 3.43Å; L610-L718 HydrophobicContact CD1-CD2 4.48Å; L610-L718 HydrophobicContact CD2-CD1 4.12Å; L610-L718 HydrophobicContact CD2-CD2 3.57Å; L610-L718 HydrophobicContact CG-CD1 3.99Å; L610-L718 HydrophobicContact CG-CD2 3.96Å; I613-L718 HydrophobicContact CD1-CD1 4.23Å; L709-L718 VanDerWaalsContact CD2-O 3.25Å; L709-L718 WeakPolarHBondContact CD2-O 3.31Å; L712-L718 HydrophobicContact CD1-CB 3.65Å; L712-L718 HydrophobicContact CD1-CD1 4.24Å; S716-L718 PolarHBondContact O-N 3.29Å; S716-L718 VanDerWaalsContact O-N 3.11Å; S716-L718 WeakPolarHBondContact OG-CB 3.44Å; S716-L718 PolarHBondContact OG-N 3.46Å; L718-R720 PolarHBondContact O-N 3.14Å; L718-G721 PolarHBondContact O-N 3.33Å |
| 719 | Q | 87.9 | Confident | 86.7 | Confident | 69 Ų | 69 | 59.5 Ų | 59.5 | 32% | 0.322 | 32% | 0.315 | S | S | . | . | G | 310 helix | trans | -57.7 | -25.5 | -179.2 | -75 | -164.9 | -17.8 | 0 | 0 | 113.3 | L712 S716 A717 G721 | L712-Q719 HydrophobicContact CB-CG 4.22Å; L712-Q719 PolarHBondContact O-NE2 3.4Å; S716-Q719 PolarHBondContact O-N 2.97Å; A717-Q719 VanDerWaalsContact C-N 3.3Å; A717-Q719 PolarHBondContact O-N 2.96Å; Q719-G721 PolarHBondContact O-N 3.33Å |
| 720 | R | 88.2 | Confident | 86 | Confident | 133 Ų | 133 | 64.1 Ų | 64.1 | 50% | 0.502 | 34% | 0.336 | S | S | . | . | G | 310 helix | trans | -84.3 | 6.5 | 179.1 | -56.3 | -179.3 | -174.1 | 148.6 | -3.3 | 113.4 | L576 D598 D600 L718 | L576-R720 HydrophobicContact CD2-CB 4.47Å; D598-R720 VanDerWaalsContact CG-NH1 3.33Å; D598-R720 IonicContact OD1-NH1 3.19Å; D598-R720 PolarHBondContact OD1-NH1 3.43Å; D598-R720 WeakPolarHBondContact OD2-CD 3.35Å; D598-R720 IonicContact OD2-CZ 3.78Å; D598-R720 IonicContact OD2-NH1 2.83Å; D598-R720 PolarHBondContact OD2-NH1 3.37Å; D600-R720 IonicContact OD2-NH1 3.6Å; L718-R720 PolarHBondContact O-N 3.14Å |
| 721 | G | 89.3 | Confident | 85.5 | Confident | 10 Ų | 10 | 60.5 Ų | 60.5 | 10% | 0.103 | 31% | 0.306 | C | S | . | . | trans | -62.9 | 151.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | V572 L709 L718 Q719 | V572-G721 VanDerWaalsContact O-CA 3.25Å; V572-G721 WeakPolarHBondContact O-CA 3.45Å; L709-G721 WeakPolarHBondContact CD1-O 3.46Å; L718-G721 PolarHBondContact O-N 3.33Å; Q719-G721 PolarHBondContact O-N 3.33Å | ||
| 722 | F | 92.1 | Very high | 85.1 | Confident | 77 Ų | 77 | 60.2 Ų | 60.2 | 34% | 0.338 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 156.3 | 177.3 | 62.4 | -89.9 | 0 | 0 | 0 | 110.8 | V572 I575 T724 | V572-F722 HydrophobicContact CB-CE1 4.34Å; V572-F722 HydrophobicContact CB-CE2 4.13Å; V572-F722 HydrophobicContact CB-CZ 3.99Å; V572-F722 HydrophobicContact CG1-CE1 4.39Å; V572-F722 HydrophobicContact CG1-CZ 4.08Å; V572-F722 HydrophobicContact CG2-CE2 4.4Å; V572-F722 PolarHBondContact N-O 3.4Å; V572-F722 PolarHBondContact O-N 3.31Å; V572-F722 VanDerWaalsContact O-N 3.09Å; I575-F722 HydrophobicContact CB-CE1 4.25Å; I575-F722 HydrophobicContact CG2-CE1 4.41Å; F722-T724 HydrophobicContact CE2-CG2 4.35Å |
| 723 | Q | 91.9 | Very high | 84.5 | Confident | 12 Ų | 12 | 64.4 Ų | 64.4 | 6% | 0.056 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 148.7 | 173 | 62.1 | 126.7 | 3.1 | 0 | 0 | 111.9 | V569 F570 V571 E702 I705 | V569-Q723 HydrophobicContact CG1-CB 4.15Å; V569-Q723 VanDerWaalsContact CG1-OE1 3.32Å; F570-Q723 CarbonylContact O-C 3.58Å; F570-Q723 WeakPolarHBondContact O-CA 3.45Å; V571-Q723 HydrophobicContact CG2-CB 4.38Å; E702-Q723 VanDerWaalsContact OE2-CG 3.24Å; E702-Q723 WeakPolarHBondContact OE2-CG 3.33Å; E702-Q723 PolarHBondContact OE2-NE2 2.77Å; I705-Q723 HydrophobicContact CG1-CB 4.5Å |
| 724 | T | 90.2 | Very high | 83.9 | Confident | 62 Ų | 62 | 64.1 Ų | 64.1 | 38% | 0.38 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.9 | 153.1 | 177.6 | -172.4 | 0 | 0 | 0 | 0 | 111.2 | F570 V572 F722 | F570-T724 HydrophobicContact CB-CG2 4.03Å; F570-T724 PolarHBondContact N-O 2.9Å; F570-T724 PolarHBondContact O-N 2.96Å; V572-T724 HydrophobicContact CG2-CG2 4.14Å; F722-T724 HydrophobicContact CE2-CG2 4.35Å |
| 725 | C | 87.5 | Confident | 83.8 | Confident | 6 Ų | 6 | 56.8 Ų | 56.8 | 4% | 0.041 | 28% | 0.276 | C | S | . | . | trans | -151.3 | 146.8 | 175.4 | -179.5 | 0 | 0 | 0 | 0 | 108.5 | M568 V569 H727 W728 K729 | M568-C725 PolarHBondContact O-SG 3.24Å; V569-C725 HydrophobicContact CG2-CB 4.47Å; C725-H727 PolarHBondContact O-N 2.78Å; C725-H727 PolarHBondContact SG-N 2.95Å; C725-W728 HydrophobicContact CB-CB 4.18Å; C725-W728 HydrophobicContact CB-CD2 3.98Å; C725-W728 HydrophobicContact CB-CG 3.5Å; C725-W728 VanDerWaalsContact N-CD1 3.28Å; C725-W728 PolarHBondContact O-N 3.01Å; C725-K729 PolarHBondContact O-N 3.28Å | ||
| 726 | E | 82.3 | Confident | 83.7 | Confident | 144 Ų | 144 | 53.1 Ų | 53.1 | 67% | 0.673 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -57.4 | -36.3 | 171 | -170.7 | -176.9 | 174.6 | 0 | 0 | 111.6 | K729 Q730 | E726-K729 WeakPolarHBondContact O-CB 3.41Å; E726-K729 PolarHBondContact O-N 3.02Å; E726-Q730 PolarHBondContact O-N 3.04Å |
| 727 | H | 82.1 | Confident | 83.2 | Confident | 15 Ų | 15 | 52.9 Ų | 52.9 | 7% | 0.069 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -69.7 | -37.4 | 178 | -164.8 | 50 | 0 | 0 | 0 | 112.4 | A567 K687 C725 K729 Q730 I731 | A567-H727 HydrophobicContact CB-CB 4.03Å; K687-H727 PolarHBondContact O-CE1 3.32Å; C725-H727 PolarHBondContact O-N 2.78Å; C725-H727 PolarHBondContact SG-N 2.95Å; H727-K729 VanDerWaalsContact C-N 3.29Å; H727-K729 PolarHBondContact O-N 3.4Å; H727-Q730 PolarHBondContact ND1-OE1 3.4Å; H727-Q730 WeakPolarHBondContact O-CB 3.49Å; H727-Q730 PolarHBondContact O-N 3.46Å; H727-Q730 VanDerWaalsContact O-N 3.15Å; H727-I731 WeakPolarHBondContact O-CD1 3.27Å; H727-I731 WeakPolarHBondContact O-CG1 3.04Å; H727-I731 PolarHBondContact O-N 3.35Å; H727-I731 VanDerWaalsContact O-N 3.11Å |
| 728 | W | 85.8 | Confident | 82.6 | Confident | 6 Ų | 6 | 53.9 Ų | 53.9 | 2% | 0.023 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -58.4 | -43.5 | 174.6 | -56.7 | 152.7 | 0 | 0 | 0 | 111.1 | V569 T685 T694 D697 F698 W701 C725 Q730 I731 F732 | V569-W728 HydrophobicContact CG2-CZ2 3.68Å; T685-W728 HydrophobicContact CG2-CH2 4.3Å; T685-W728 HydrophobicContact CG2-CZ3 4.5Å; T694-W728 HydrophobicContact CG2-CZ3 3.86Å; D697-W728 HydrophobicContact CB-CH2 4.37Å; F698-W728 HydrophobicContact CB-CD2 4.32Å; F698-W728 HydrophobicContact CB-CE3 3.86Å; F698-W728 HydrophobicContact CB-CH2 4.29Å; F698-W728 HydrophobicContact CB-CZ3 3.82Å; F698-W728 HydrophobicContact CD2-CB 4.44Å; F698-W728 AromaticContact CD2-CD1 3.98Å; F698-W728 AromaticContact CD2-CD2 3.91Å; F698-W728 HydrophobicContact CD2-CD2 3.91Å; F698-W728 HydrophobicContact CD2-CE3 4.27Å; F698-W728 AromaticContact CD2-CG 3.91Å; F698-W728 HydrophobicContact CD2-CG 3.91Å; W701-W728 HydrophobicContact CG-CZ2 4.42Å; C725-W728 HydrophobicContact CB-CB 4.18Å; C725-W728 HydrophobicContact CB-CD2 3.98Å; C725-W728 HydrophobicContact CB-CG 3.5Å; C725-W728 VanDerWaalsContact N-CD1 3.28Å; C725-W728 PolarHBondContact O-N 3.01Å; W728-Q730 VanDerWaalsContact C-N 3.31Å; W728-Q730 PolarHBondContact O-N 3.46Å; W728-I731 HydrophobicContact CE3-CD1 3.66Å; W728-I731 HydrophobicContact CZ3-CD1 4.02Å; W728-I731 PolarHBondContact O-N 3.45Å; W728-F732 HydrophobicContact CB-CD2 4.24Å; W728-F732 HydrophobicContact CB-CE2 4.08Å; W728-F732 WeakPolarHBondContact O-CD2 3.38Å; W728-F732 PolarHBondContact O-N 3Å |
| 729 | K | 82.7 | Confident | 82.2 | Confident | 151 Ų | 151 | 59 Ų | 59 | 66% | 0.657 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -55.1 | -46.1 | 175.9 | -178.3 | -173.8 | 175.2 | -176.4 | 0 | 111.7 | C725 E726 H727 M733 | C725-K729 PolarHBondContact O-N 3.28Å; E726-K729 WeakPolarHBondContact O-CB 3.41Å; E726-K729 PolarHBondContact O-N 3.02Å; H727-K729 VanDerWaalsContact C-N 3.29Å; H727-K729 PolarHBondContact O-N 3.4Å; K729-M733 WeakPolarHBondContact O-CB 3.37Å; K729-M733 WeakPolarHBondContact O-CG 3.36Å; K729-M733 PolarHBondContact O-N 2.9Å; K729-M733 VanDerWaalsContact O-N 3.08Å |
| 730 | Q | 76.2 | Confident | 81.8 | Confident | 108 Ų | 108 | 56.3 Ų | 56.3 | 51% | 0.505 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -62.2 | -44.8 | 179.4 | -68.1 | 172.9 | -13.9 | 0 | 0 | 111.7 | E726 H727 W728 M733 E734 | E726-Q730 PolarHBondContact O-N 3.04Å; H727-Q730 PolarHBondContact ND1-OE1 3.4Å; H727-Q730 WeakPolarHBondContact O-CB 3.49Å; H727-Q730 PolarHBondContact O-N 3.46Å; H727-Q730 VanDerWaalsContact O-N 3.15Å; W728-Q730 VanDerWaalsContact C-N 3.31Å; W728-Q730 PolarHBondContact O-N 3.46Å; Q730-M733 PolarHBondContact O-N 3.12Å; Q730-E734 PolarHBondContact O-N 3.36Å |
| 731 | I | 80.4 | Confident | 81.2 | Confident | 2 Ų | 2 | 50 Ų | 50 | 1% | 0.01 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -63.4 | -47.5 | 180 | -67.3 | 153.8 | 0 | 0 | 0 | 111.4 | S691 T694 H727 W728 M733 E734 I735 | S691-I731 WeakPolarHBondContact O-CG2 3.36Å; T694-I731 HydrophobicContact CG2-CD1 3.26Å; T694-I731 HydrophobicContact CG2-CG1 4.31Å; H727-I731 WeakPolarHBondContact O-CD1 3.27Å; H727-I731 WeakPolarHBondContact O-CG1 3.04Å; H727-I731 PolarHBondContact O-N 3.35Å; H727-I731 VanDerWaalsContact O-N 3.11Å; W728-I731 HydrophobicContact CE3-CD1 3.66Å; W728-I731 HydrophobicContact CZ3-CD1 4.02Å; W728-I731 PolarHBondContact O-N 3.45Å; I731-M733 VanDerWaalsContact C-N 3.33Å; I731-M733 PolarHBondContact O-N 3.4Å; I731-E734 PolarHBondContact O-N 3.29Å; I731-I735 HydrophobicContact CG2-CD1 3.67Å; I731-I735 HydrophobicContact CG2-CG1 4.38Å; I731-I735 WeakPolarHBondContact O-CG1 3.47Å; I731-I735 PolarHBondContact O-N 3.42Å |
| 732 | F | 81.7 | Confident | 80.7 | Confident | 65 Ų | 65 | 53.6 Ų | 53.6 | 29% | 0.285 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -60.9 | -43.9 | 178.3 | -76.8 | -61.1 | 0 | 0 | 0 | 111.6 | Y695 F698 W728 E734 I735 I736 | Y695-F732 HydrophobicContact CD2-CE1 4.13Å; Y695-F732 AromaticContact CE2-CE1 3.75Å; Y695-F732 HydrophobicContact CE2-CE1 3.75Å; Y695-F732 HydrophobicContact CE2-CZ 4.34Å; F698-F732 AromaticContact CD1-CZ 3.77Å; F698-F732 HydrophobicContact CD1-CZ 3.77Å; F698-F732 HydrophobicContact CD2-CE2 4.05Å; F698-F732 HydrophobicContact CD2-CZ 4.03Å; F698-F732 HydrophobicContact CE1-CE1 4.43Å; F698-F732 HydrophobicContact CE1-CE2 4.42Å; F698-F732 AromaticContact CE1-CZ 3.56Å; F698-F732 HydrophobicContact CE1-CZ 3.56Å; F698-F732 AromaticContact CE2-CE2 3.85Å; F698-F732 HydrophobicContact CE2-CE2 3.85Å; F698-F732 AromaticContact CE2-CZ 3.8Å; F698-F732 HydrophobicContact CE2-CZ 3.8Å; F698-F732 HydrophobicContact CG-CE2 4.42Å; F698-F732 HydrophobicContact CG-CZ 4.02Å; F698-F732 HydrophobicContact CZ-CE2 4.07Å; F698-F732 AromaticContact CZ-CZ 3.59Å; F698-F732 HydrophobicContact CZ-CZ 3.59Å; W728-F732 HydrophobicContact CB-CD2 4.24Å; W728-F732 HydrophobicContact CB-CE2 4.08Å; W728-F732 WeakPolarHBondContact O-CD2 3.38Å; W728-F732 PolarHBondContact O-N 3Å; F732-E734 VanDerWaalsContact C-N 3.27Å; F732-E734 PolarHBondContact O-N 3.45Å; F732-I735 PolarHBondContact O-N 2.92Å; F732-I736 HydrophobicContact CB-CD1 4.33Å; F732-I736 WeakPolarHBondContact O-CB 3.34Å; F732-I736 WeakPolarHBondContact O-CD1 3.47Å; F732-I736 WeakPolarHBondContact O-CG1 3.45Å; F732-I736 PolarHBondContact O-N 3.29Å |
| 733 | M | 75.5 | Confident | 80.2 | Confident | 99 Ų | 99 | 57.8 Ų | 57.8 | 49% | 0.488 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -60 | -37.8 | 176.1 | -72.2 | -64.1 | -59.4 | 0 | 0 | 112.2 | K729 Q730 I731 G737 | K729-M733 WeakPolarHBondContact O-CB 3.37Å; K729-M733 WeakPolarHBondContact O-CG 3.36Å; K729-M733 PolarHBondContact O-N 2.9Å; K729-M733 VanDerWaalsContact O-N 3.08Å; Q730-M733 PolarHBondContact O-N 3.12Å; I731-M733 VanDerWaalsContact C-N 3.33Å; I731-M733 PolarHBondContact O-N 3.4Å; M733-G737 WeakPolarHBondContact O-CA 3.29Å; M733-G737 PolarHBondContact O-N 3.21Å |
| 734 | E | 74.4 | Confident | 79.7 | Confident | 54 Ų | 54 | 57.4 Ų | 57.4 | 25% | 0.252 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -71.2 | -47.4 | 178 | -169.7 | 176.3 | 168 | 0 | 0 | 112.4 | S691 Q730 I731 F732 G737 V738 | S691-E734 WeakPolarHBondContact CB-OE2 3.45Å; S691-E734 VanDerWaalsContact OG-CD 3.27Å; S691-E734 PolarHBondContact OG-OE2 3.49Å; Q730-E734 PolarHBondContact O-N 3.36Å; I731-E734 PolarHBondContact O-N 3.29Å; F732-E734 VanDerWaalsContact C-N 3.27Å; F732-E734 PolarHBondContact O-N 3.45Å; E734-G737 PolarHBondContact O-N 3.23Å; E734-V738 WeakPolarHBondContact O-CG2 3.45Å; E734-V738 PolarHBondContact O-N 3.36Å |
| 735 | I | 76.4 | Confident | 79.4 | Confident | 29 Ų | 29 | 56 Ų | 56 | 15% | 0.149 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -63.8 | -51.8 | 179.9 | -67.1 | 172.1 | 0 | 0 | 0 | 110.8 | Y695 I731 F732 G737 V738 E739 | Y695-I735 HydrophobicContact CD2-CD1 4.04Å; Y695-I735 HydrophobicContact CG-CD1 3.92Å; I731-I735 HydrophobicContact CG2-CD1 3.67Å; I731-I735 HydrophobicContact CG2-CG1 4.38Å; I731-I735 WeakPolarHBondContact O-CG1 3.47Å; I731-I735 PolarHBondContact O-N 3.42Å; F732-I735 PolarHBondContact O-N 2.92Å; I735-G737 PolarHBondContact O-N 2.86Å; I735-V738 PolarHBondContact O-N 2.94Å; I735-E739 PolarHBondContact O-N 3.48Å |
| 736 | I | 77.1 | Confident | 79.3 | Confident | 58 Ų | 58 | 60.4 Ų | 60.4 | 30% | 0.297 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -59.3 | -36.7 | 176.1 | -67.6 | 168.8 | 0 | 0 | 0 | 109.8 | Q152 F732 S740 | Q152-I736 HydrophobicContact CB-CG2 3.83Å; Q152-I736 HydrophobicContact CG-CG2 4.39Å; F732-I736 HydrophobicContact CB-CD1 4.33Å; F732-I736 WeakPolarHBondContact O-CB 3.34Å; F732-I736 WeakPolarHBondContact O-CD1 3.47Å; F732-I736 WeakPolarHBondContact O-CG1 3.45Å; F732-I736 PolarHBondContact O-N 3.29Å; I736-S740 WeakPolarHBondContact O-CB 3.09Å; I736-S740 PolarHBondContact O-N 2.71Å; I736-S740 PolarHBondContact O-OG 3.21Å |
| 737 | G | 73.4 | Confident | 79.5 | Confident | 2 Ų | 2 | 56.3 Ų | 56.3 | 2% | 0.021 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -61.2 | -49.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | M733 E734 I735 S740 A741 | M733-G737 WeakPolarHBondContact O-CA 3.29Å; M733-G737 PolarHBondContact O-N 3.21Å; E734-G737 PolarHBondContact O-N 3.23Å; I735-G737 PolarHBondContact O-N 2.86Å; G737-S740 PolarHBondContact O-OG 2.95Å; G737-S740 VanDerWaalsContact O-OG 3.12Å; G737-A741 WeakPolarHBondContact O-CB 3.29Å; G737-A741 PolarHBondContact O-N 3.26Å |
| 738 | V | 73.8 | Confident | 79.7 | Confident | 29 Ų | 29 | 55.6 Ų | 55.6 | 18% | 0.176 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -66.3 | -46.1 | 178.1 | 174.7 | 0 | 0 | 0 | 0 | 111.4 | E734 I735 A741 L742 | E734-V738 WeakPolarHBondContact O-CG2 3.45Å; E734-V738 PolarHBondContact O-N 3.36Å; I735-V738 PolarHBondContact O-N 2.94Å; V738-A741 PolarHBondContact O-N 3.36Å; V738-L742 HydrophobicContact CG1-CD1 4.39Å; V738-L742 WeakPolarHBondContact O-CG 3.44Å; V738-L742 PolarHBondContact O-N 2.82Å; V738-L742 VanDerWaalsContact O-N 3.08Å |
| 739 | E | 78.3 | Confident | 79.6 | Confident | 109 Ų | 109 | 57.5 Ų | 57.5 | 51% | 0.509 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -62.2 | -46.7 | 179.9 | -173.1 | -178.3 | 171.6 | 0 | 0 | 111.6 | I735 A741 L742 W743 | I735-E739 PolarHBondContact O-N 3.48Å; E739-A741 VanDerWaalsContact C-N 3.31Å; E739-A741 PolarHBondContact O-N 3.47Å; E739-L742 PolarHBondContact O-N 3.48Å; E739-W743 VanDerWaalsContact O-CD1 3.24Å; E739-W743 PolarHBondContact O-N 3.44Å |
| 740 | S | 78.3 | Confident | 79.8 | Confident | 11 Ų | 11 | 53 Ų | 53 | 8% | 0.077 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -65.7 | -32.8 | 178.4 | 66.3 | 0 | 0 | 0 | 0 | 112.8 | S151 I736 G737 W743 S744 | S151-S740 PolarHBondContact OG-OG 3.14Å; I736-S740 WeakPolarHBondContact O-CB 3.09Å; I736-S740 PolarHBondContact O-N 2.71Å; I736-S740 PolarHBondContact O-OG 3.21Å; G737-S740 PolarHBondContact O-OG 2.95Å; G737-S740 VanDerWaalsContact O-OG 3.12Å; S740-W743 PolarHBondContact O-N 3.43Å; S740-S744 WeakPolarHBondContact O-CB 3.43Å; S740-S744 PolarHBondContact O-N 3.36Å |
| 741 | A | 75.7 | Confident | 80.3 | Confident | 2 Ų | 2 | 50.2 Ų | 50.2 | 2% | 0.017 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -67.6 | -38.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112 | G737 V738 E739 S744 L745 A796 | G737-A741 WeakPolarHBondContact O-CB 3.29Å; G737-A741 PolarHBondContact O-N 3.26Å; V738-A741 PolarHBondContact O-N 3.36Å; E739-A741 VanDerWaalsContact C-N 3.31Å; E739-A741 PolarHBondContact O-N 3.47Å; A741-S744 PolarHBondContact O-N 3.17Å; A741-L745 PolarHBondContact O-N 3.38Å; A741-A796 HydrophobicContact CB-CB 3.51Å |
| 742 | L | 78.4 | Confident | 80.5 | Confident | 85 Ų | 85 | 50.1 Ų | 50.1 | 45% | 0.445 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -65 | -44.6 | 173.9 | -71.5 | 170.8 | 0 | 0 | 0 | 111.9 | V738 E739 S744 L745 L746 | V738-L742 HydrophobicContact CG1-CD1 4.39Å; V738-L742 WeakPolarHBondContact O-CG 3.44Å; V738-L742 PolarHBondContact O-N 2.82Å; V738-L742 VanDerWaalsContact O-N 3.08Å; E739-L742 PolarHBondContact O-N 3.48Å; L742-S744 VanDerWaalsContact C-N 3.31Å; L742-S744 PolarHBondContact O-N 3.21Å; L742-L745 WeakPolarHBondContact O-CB 3.45Å; L742-L745 PolarHBondContact O-N 3.07Å; L742-L746 WeakPolarHBondContact O-CG 3.5Å; L742-L746 PolarHBondContact O-N 3.3Å |
| 743 | W | 82.9 | Confident | 80.6 | Confident | 165 Ų | 165 | 48.9 Ų | 48.9 | 63% | 0.625 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -62.6 | -38.8 | 174.1 | -78.1 | 113.1 | 0 | 0 | 0 | 112.3 | E739 S740 L746 L747 | E739-W743 VanDerWaalsContact O-CD1 3.24Å; E739-W743 PolarHBondContact O-N 3.44Å; S740-W743 PolarHBondContact O-N 3.43Å; W743-L746 HydrophobicContact CE3-CD1 4.2Å; W743-L746 HydrophobicContact CZ3-CD1 4.35Å; W743-L746 PolarHBondContact O-N 3.09Å; W743-L747 WeakPolarHBondContact O-CB 3.33Å; W743-L747 PolarHBondContact O-N 2.75Å |
| 744 | S | 81.4 | Confident | 81.2 | Confident | 3 Ų | 3 | 45.7 Ų | 45.7 | 2% | 0.021 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -62.2 | -42.4 | 174.8 | -171.8 | 0 | 0 | 0 | 0 | 112.2 | A147 N148 S740 A741 L742 L747 S748 | A147-S744 PolarHBondContact O-OG 2.99Å; N148-S744 WeakPolarHBondContact CA-OG 3.34Å; N148-S744 PolarHBondContact OD1-OG 3.14Å; S740-S744 WeakPolarHBondContact O-CB 3.43Å; S740-S744 PolarHBondContact O-N 3.36Å; A741-S744 PolarHBondContact O-N 3.17Å; L742-S744 VanDerWaalsContact C-N 3.31Å; L742-S744 PolarHBondContact O-N 3.21Å; S744-L747 PolarHBondContact O-N 2.7Å; S744-S748 WeakPolarHBondContact O-CB 3.39Å; S744-S748 PolarHBondContact O-N 3.21Å |
| 745 | L | 82.8 | Confident | 81.6 | Confident | 32 Ų | 32 | 43.5 Ų | 43.5 | 17% | 0.168 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -60.9 | -44.3 | 174.8 | 172.5 | 65.8 | 0 | 0 | 0 | 112 | A741 L742 L747 S748 L749 L799 V803 | A741-L745 PolarHBondContact O-N 3.38Å; L742-L745 WeakPolarHBondContact O-CB 3.45Å; L742-L745 PolarHBondContact O-N 3.07Å; L745-L747 VanDerWaalsContact C-N 3.35Å; L745-S748 PolarHBondContact O-N 2.9Å; L745-S748 PolarHBondContact O-OG 2.92Å; L745-S748 VanDerWaalsContact O-OG 3.04Å; L745-L749 WeakPolarHBondContact O-CB 3.45Å; L745-L749 PolarHBondContact O-N 3.19Å; L745-L799 HydrophobicContact CD1-CB 4.46Å; L745-V803 HydrophobicContact CD1-CG2 3.57Å |
| 746 | L | 85.1 | Confident | 82 | Confident | 100 Ų | 100 | 42.1 Ų | 42.1 | 52% | 0.524 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -65 | -41 | 176.9 | -69.5 | 175.3 | 0 | 0 | 0 | 111.6 | L742 W743 A750 | L742-L746 WeakPolarHBondContact O-CG 3.5Å; L742-L746 PolarHBondContact O-N 3.3Å; W743-L746 HydrophobicContact CE3-CD1 4.2Å; W743-L746 HydrophobicContact CZ3-CD1 4.35Å; W743-L746 PolarHBondContact O-N 3.09Å; L746-A750 WeakPolarHBondContact O-CB 3.44Å; L746-A750 PolarHBondContact O-N 3.02Å |
| 747 | L | 86.3 | Confident | 82.3 | Confident | 58 Ų | 58 | 40.5 Ų | 40.5 | 30% | 0.304 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -65.9 | -43.4 | 177.3 | -177.9 | 63.6 | 0 | 0 | 0 | 111.7 | A147 F150 W743 S744 L745 L749 A750 I751 | A147-L747 HydrophobicContact CB-CD2 4.31Å; A147-L747 HydrophobicContact CB-CG 4.22Å; F150-L747 HydrophobicContact CB-CD2 4.01Å; F150-L747 HydrophobicContact CD1-CD2 4.5Å; F150-L747 HydrophobicContact CD2-CD2 3.27Å; F150-L747 HydrophobicContact CE2-CD2 3.79Å; F150-L747 HydrophobicContact CG-CD2 3.67Å; W743-L747 WeakPolarHBondContact O-CB 3.33Å; W743-L747 PolarHBondContact O-N 2.75Å; S744-L747 PolarHBondContact O-N 2.7Å; L745-L747 VanDerWaalsContact C-N 3.35Å; L747-L749 VanDerWaalsContact C-N 3.35Å; L747-L749 PolarHBondContact O-N 2.98Å; L747-A750 PolarHBondContact O-N 3.34Å; L747-I751 HydrophobicContact CD1-CD1 4.03Å; L747-I751 HydrophobicContact CD1-CG1 4.33Å; L747-I751 HydrophobicContact CG-CD1 3.84Å; L747-I751 WeakPolarHBondContact O-CB 3.15Å; L747-I751 VanDerWaalsContact O-CG1 3.3Å; L747-I751 WeakPolarHBondContact O-CG1 3.42Å; L747-I751 PolarHBondContact O-N 2.85Å |
| 748 | S | 86.4 | Confident | 82.8 | Confident | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -62.9 | -43 | 177.9 | 76.1 | 0 | 0 | 0 | 0 | 111 | S744 L745 A750 I751 C752 S800 | S744-S748 WeakPolarHBondContact O-CB 3.39Å; S744-S748 PolarHBondContact O-N 3.21Å; L745-S748 PolarHBondContact O-N 2.9Å; L745-S748 PolarHBondContact O-OG 2.92Å; L745-S748 VanDerWaalsContact O-OG 3.04Å; S748-A750 PolarHBondContact O-N 3.25Å; S748-I751 PolarHBondContact O-N 2.86Å; S748-C752 WeakPolarHBondContact O-CB 3.44Å; S748-C752 PolarHBondContact O-N 3.05Å; S748-C752 PolarHBondContact O-SG 3.38Å; S748-S800 PolarHBondContact OG-O 2.9Å |
| 749 | L | 84.6 | Confident | 83 | Confident | 45 Ų | 45 | 41.4 Ų | 41.4 | 24% | 0.236 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -60.6 | -45 | 173.7 | -176.1 | 66.3 | 0 | 0 | 0 | 112.1 | L745 L747 I751 C752 V753 I773 I777 V803 | L745-L749 WeakPolarHBondContact O-CB 3.45Å; L745-L749 PolarHBondContact O-N 3.19Å; L747-L749 VanDerWaalsContact C-N 3.35Å; L747-L749 PolarHBondContact O-N 2.98Å; L749-I751 PolarHBondContact O-N 2.98Å; L749-C752 PolarHBondContact O-N 2.81Å; L749-V753 HydrophobicContact CD1-CG2 4.48Å; L749-V753 VanDerWaalsContact O-CG2 3.31Å; L749-V753 WeakPolarHBondContact O-CG2 3.48Å; L749-V753 PolarHBondContact O-N 2.89Å; L749-I773 HydrophobicContact CD1-CG2 3.81Å; L749-I777 HydrophobicContact CD1-CD1 4.22Å; L749-V803 HydrophobicContact CB-CG1 4.3Å; L749-V803 HydrophobicContact CD1-CG1 3.83Å |
| 750 | A | 87.1 | Confident | 83.1 | Confident | 57 Ų | 57 | 36.5 Ų | 36.5 | 47% | 0.471 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -62.2 | -43.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112 | L746 L747 S748 V753 A754 | L746-A750 WeakPolarHBondContact O-CB 3.44Å; L746-A750 PolarHBondContact O-N 3.02Å; L747-A750 PolarHBondContact O-N 3.34Å; S748-A750 PolarHBondContact O-N 3.25Å; A750-V753 PolarHBondContact O-N 3.4Å; A750-A754 VanDerWaalsContact O-CB 3.29Å; A750-A754 WeakPolarHBondContact O-CB 3.44Å; A750-A754 PolarHBondContact O-N 3.49Å |
| 751 | I | 86.4 | Confident | 83.3 | Confident | 49 Ų | 49 | 37.2 Ų | 37.2 | 25% | 0.251 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -64.5 | -43.4 | 176.9 | -70.8 | 168.9 | 0 | 0 | 0 | 110.8 | A143 A147 L747 S748 L749 A754 A755 | A143-I751 HydrophobicContact CB-CG2 3.53Å; A147-I751 HydrophobicContact CB-CD1 3.94Å; L747-I751 HydrophobicContact CD1-CD1 4.03Å; L747-I751 HydrophobicContact CD1-CG1 4.33Å; L747-I751 HydrophobicContact CG-CD1 3.84Å; L747-I751 WeakPolarHBondContact O-CB 3.15Å; L747-I751 VanDerWaalsContact O-CG1 3.3Å; L747-I751 WeakPolarHBondContact O-CG1 3.42Å; L747-I751 PolarHBondContact O-N 2.85Å; S748-I751 PolarHBondContact O-N 2.86Å; L749-I751 PolarHBondContact O-N 2.98Å; I751-A754 WeakPolarHBondContact O-CB 3.32Å; I751-A754 PolarHBondContact O-N 3.21Å; I751-A755 WeakPolarHBondContact O-CB 3.16Å; I751-A755 PolarHBondContact O-N 2.88Å |
| 752 | C | 84.3 | Confident | 83.6 | Confident | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -59.9 | -49.6 | 175.5 | -74 | 0 | 0 | 0 | 0 | 111.1 | S748 L749 A754 A755 V756 V803 V807 | S748-C752 WeakPolarHBondContact O-CB 3.44Å; S748-C752 PolarHBondContact O-N 3.05Å; S748-C752 PolarHBondContact O-SG 3.38Å; L749-C752 PolarHBondContact O-N 2.81Å; C752-A754 VanDerWaalsContact C-N 3.3Å; C752-A754 PolarHBondContact O-N 3Å; C752-A755 PolarHBondContact O-N 3.31Å; C752-V756 VanDerWaalsContact O-CG2 3.29Å; C752-V756 WeakPolarHBondContact O-CG2 3.44Å; C752-V756 PolarHBondContact O-N 2.7Å; C752-V803 HydrophobicContact CB-CG1 4.37Å; C752-V807 HydrophobicContact CB-CG2 4.37Å |
| 753 | V | 85.3 | Confident | 83.7 | Confident | 39 Ų | 39 | 39.9 Ų | 39.9 | 24% | 0.236 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -60.7 | -41.7 | 178.1 | 173 | 0 | 0 | 0 | 0 | 111.2 | L749 A750 S757 L770 | L749-V753 HydrophobicContact CD1-CG2 4.48Å; L749-V753 VanDerWaalsContact O-CG2 3.31Å; L749-V753 WeakPolarHBondContact O-CG2 3.48Å; L749-V753 PolarHBondContact O-N 2.89Å; A750-V753 PolarHBondContact O-N 3.4Å; V753-S757 VanDerWaalsContact O-CB 3.24Å; V753-S757 WeakPolarHBondContact O-CB 3.26Å; V753-S757 PolarHBondContact O-N 3.3Å; V753-S757 PolarHBondContact O-OG 3.35Å; V753-L770 HydrophobicContact CG2-CD1 3.65Å |
| 754 | A | 86.1 | Confident | 83.8 | Confident | 33 Ų | 33 | 35.8 Ų | 35.8 | 27% | 0.273 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -59.6 | -52.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | A750 I751 C752 V756 S757 V758 V923 | A750-A754 VanDerWaalsContact O-CB 3.29Å; A750-A754 WeakPolarHBondContact O-CB 3.44Å; A750-A754 PolarHBondContact O-N 3.49Å; I751-A754 WeakPolarHBondContact O-CB 3.32Å; I751-A754 PolarHBondContact O-N 3.21Å; C752-A754 VanDerWaalsContact C-N 3.3Å; C752-A754 PolarHBondContact O-N 3Å; A754-V756 PolarHBondContact O-N 3Å; A754-S757 PolarHBondContact O-N 3.07Å; A754-S757 PolarHBondContact O-OG 3.26Å; A754-V758 WeakPolarHBondContact O-CG2 3.24Å; A754-V758 PolarHBondContact O-N 3.22Å; A754-V923 HydrophobicContact CB-CG1 3.73Å |
| 755 | A | 84.2 | Confident | 84 | Confident | 7 Ų | 7 | 35.6 Ų | 35.6 | 6% | 0.058 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -57.6 | -52.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | F139 T140 I751 C752 S757 V758 F759 | F139-A755 HydrophobicContact CD1-CB 4.26Å; F139-A755 HydrophobicContact CE1-CB 4.05Å; T140-A755 HydrophobicContact CG2-CB 3.67Å; I751-A755 WeakPolarHBondContact O-CB 3.16Å; I751-A755 PolarHBondContact O-N 2.88Å; C752-A755 PolarHBondContact O-N 3.31Å; A755-S757 VanDerWaalsContact C-N 3.26Å; A755-S757 PolarHBondContact O-N 2.98Å; A755-V758 PolarHBondContact O-N 3.16Å; A755-F759 HydrophobicContact CB-CD2 4.47Å; A755-F759 HydrophobicContact CB-CE2 4.32Å; A755-F759 WeakPolarHBondContact O-CD2 3.47Å; A755-F759 WeakPolarHBondContact O-CG 3.46Å; A755-F759 PolarHBondContact O-N 3.02Å |
| 756 | V | 83.7 | Confident | 84.1 | Confident | 1 Ų | 1 | 35.9 Ų | 35.9 | 1% | 0.006 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -58.5 | -38.4 | 177.7 | 176.4 | 0 | 0 | 0 | 0 | 111.6 | C752 A754 F759 T760 L766 V769 V807 L811 | C752-V756 VanDerWaalsContact O-CG2 3.29Å; C752-V756 WeakPolarHBondContact O-CG2 3.44Å; C752-V756 PolarHBondContact O-N 2.7Å; A754-V756 PolarHBondContact O-N 3Å; V756-F759 PolarHBondContact O-N 3.23Å; V756-T760 HydrophobicContact CG1-CG2 3.84Å; V756-T760 WeakPolarHBondContact O-CB 3.19Å; V756-T760 WeakPolarHBondContact O-CG2 3.35Å; V756-T760 PolarHBondContact O-N 2.92Å; V756-T760 PolarHBondContact O-OG1 3.03Å; V756-L766 HydrophobicContact CB-CD1 4.18Å; V756-L766 HydrophobicContact CG1-CD1 3.68Å; V756-V769 HydrophobicContact CG1-CB 4.32Å; V756-V769 HydrophobicContact CG1-CG1 3.92Å; V756-V807 HydrophobicContact CG2-CG1 3.69Å; V756-L811 HydrophobicContact CB-CD2 4.45Å; V756-L811 HydrophobicContact CG1-CD2 3.92Å; V756-L811 HydrophobicContact CG2-CD1 4.13Å; V756-L811 HydrophobicContact CG2-CD2 3.9Å; V756-L811 HydrophobicContact CG2-CG 4.31Å |
| 757 | S | 84.6 | Confident | 84.3 | Confident | 24 Ų | 24 | 34.5 Ų | 34.5 | 17% | 0.168 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -68.2 | -40 | 178.8 | 73.4 | 0 | 0 | 0 | 0 | 113 | V753 A754 A755 F759 A761 V923 | V753-S757 VanDerWaalsContact O-CB 3.24Å; V753-S757 WeakPolarHBondContact O-CB 3.26Å; V753-S757 PolarHBondContact O-N 3.3Å; V753-S757 PolarHBondContact O-OG 3.35Å; A754-S757 PolarHBondContact O-N 3.07Å; A754-S757 PolarHBondContact O-OG 3.26Å; A755-S757 VanDerWaalsContact C-N 3.26Å; A755-S757 PolarHBondContact O-N 2.98Å; S757-F759 VanDerWaalsContact C-N 3.27Å; S757-F759 PolarHBondContact O-N 3.27Å; S757-A761 PolarHBondContact O-N 3.1Å; S757-A761 VanDerWaalsContact O-N 3.08Å; S757-V923 WeakPolarHBondContact OG-CG2 3.31Å |
| 758 | V | 83.9 | Confident | 84.4 | Confident | 22 Ų | 22 | 31.8 Ų | 31.8 | 13% | 0.133 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -60.7 | -41.5 | 174.4 | 173.4 | 0 | 0 | 0 | 0 | 110.3 | A754 A755 V916 V923 | A754-V758 WeakPolarHBondContact O-CG2 3.24Å; A754-V758 PolarHBondContact O-N 3.22Å; A755-V758 PolarHBondContact O-N 3.16Å; V758-V916 HydrophobicContact CG1-CG1 3.98Å; V758-V923 HydrophobicContact CG2-CB 3.87Å; V758-V923 HydrophobicContact CG2-CG1 4.1Å; V758-V923 HydrophobicContact CG2-CG2 3.72Å |
| 759 | F | 77.8 | Confident | 84.5 | Confident | 28 Ų | 28 | 31.8 Ų | 31.8 | 12% | 0.123 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -83.3 | -40.3 | -175.2 | -63.5 | -60.2 | 0 | 0 | 0 | 113.6 | F135 L136 F139 A755 V756 S757 A761 R911 | F135-F759 HydrophobicContact CE1-CE1 4.28Å; F135-F759 HydrophobicContact CE1-CZ 4.1Å; L136-F759 HydrophobicContact CD1-CB 4.11Å; L136-F759 HydrophobicContact CD1-CG 4.34Å; L136-F759 HydrophobicContact CD2-CB 3.88Å; L136-F759 HydrophobicContact CD2-CD1 3.1Å; L136-F759 HydrophobicContact CD2-CD2 3.45Å; L136-F759 VanDerWaalsContact CD2-CD2 3.45Å; L136-F759 HydrophobicContact CD2-CE1 3.22Å; L136-F759 HydrophobicContact CD2-CE2 3.59Å; L136-F759 HydrophobicContact CD2-CG 3.2Å; L136-F759 HydrophobicContact CD2-CZ 3.47Å; L136-F759 VanDerWaalsContact CD2-CZ 3.47Å; L136-F759 HydrophobicContact CG-CD1 4.44Å; L136-F759 HydrophobicContact CG-CG 4.32Å; F139-F759 AromaticContact CD1-CE2 3.8Å; F139-F759 HydrophobicContact CD1-CE2 3.8Å; F139-F759 HydrophobicContact CD1-CZ 4.16Å; F139-F759 HydrophobicContact CE1-CE2 4.21Å; A755-F759 HydrophobicContact CB-CD2 4.47Å; A755-F759 HydrophobicContact CB-CE2 4.32Å; A755-F759 WeakPolarHBondContact O-CD2 3.47Å; A755-F759 WeakPolarHBondContact O-CG 3.46Å; A755-F759 PolarHBondContact O-N 3.02Å; V756-F759 PolarHBondContact O-N 3.23Å; S757-F759 VanDerWaalsContact C-N 3.27Å; S757-F759 PolarHBondContact O-N 3.27Å; F759-A761 VanDerWaalsContact C-N 3.26Å; F759-A761 PolarHBondContact O-N 3.34Å; F759-R911 PolarHBondContact O-NE 3.46Å; F759-R911 PolarHBondContact O-NH1 3.2Å; F759-R911 VanDerWaalsContact O-NH1 3.13Å; F759-R911 PolarHBondContact O-NH2 3.39Å |
| 760 | T | 80.3 | Confident | 84.7 | Confident | 5 Ų | 5 | 32.4 Ų | 32.4 | 3% | 0.031 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -68.5 | -29.4 | 176 | 53.3 | 0 | 0 | 0 | 0 | 111.9 | V756 H762 L765 V814 | V756-T760 HydrophobicContact CG1-CG2 3.84Å; V756-T760 WeakPolarHBondContact O-CB 3.19Å; V756-T760 WeakPolarHBondContact O-CG2 3.35Å; V756-T760 PolarHBondContact O-N 2.92Å; V756-T760 PolarHBondContact O-OG1 3.03Å; T760-H762 PolarHBondContact O-N 3.19Å; T760-L765 HydrophobicContact CG2-CB 4.4Å; T760-V814 HydrophobicContact CG2-CG1 4.3Å |
| 761 | A | 81.3 | Confident | 84.8 | Confident | 27 Ų | 27 | 32.3 Ų | 32.3 | 22% | 0.223 | 19% | 0.186 | C | C | . | . | trans | 52.5 | 10.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115 | S757 F759 A915 A919 | S757-A761 PolarHBondContact O-N 3.1Å; S757-A761 VanDerWaalsContact O-N 3.08Å; F759-A761 VanDerWaalsContact C-N 3.26Å; F759-A761 PolarHBondContact O-N 3.34Å; A761-A915 HydrophobicContact CB-CB 3.89Å; A761-A919 HydrophobicContact CB-CB 4.19Å | ||
| 762 | H | 83.1 | Confident | 84.9 | Confident | 47 Ų | 47 | 30 Ų | 30 | 22% | 0.218 | 17% | 0.174 | C | C | . | . | S | Bend | trans | -146.9 | 124.6 | -177.4 | -164.9 | -68.2 | 0 | 0 | 0 | 111.2 | T760 L764 L765 L766 F909 | T760-H762 PolarHBondContact O-N 3.19Å; H762-L764 WeakPolarHBondContact ND1-CB 3.43Å; H762-L764 PolarHBondContact ND1-N 3.18Å; H762-L764 VanDerWaalsContact ND1-N 3.16Å; H762-L764 PolarHBondContact O-N 3.1Å; H762-L765 HydrophobicContact CB-CD1 4.39Å; H762-L765 PolarHBondContact O-N 2.98Å; H762-L765 VanDerWaalsContact O-N 3.12Å; H762-L766 PolarHBondContact O-N 3.46Å; H762-F909 HydrophobicContact CB-CE1 4.12Å; H762-F909 HydrophobicContact CB-CZ 4.03Å; H762-F909 AromaticContact CD2-CD2 3.89Å; H762-F909 AromaticContact CD2-CE2 3.75Å |
| 763 | P | 79.8 | Confident | 85.2 | Confident | 96 Ų | 96 | 30.1 Ų | 30.1 | 62% | 0.623 | 18% | 0.175 | S | C | * | . | H | α-helix | trans | -65.7 | -32.5 | -172.8 | 24.7 | -34.1 | 0 | 0 | 0 | 114 | L765 L766 L767 | P763-L765 PolarHBondContact O-N 2.89Å; P763-L766 PolarHBondContact O-N 3.02Å; P763-L767 PolarHBondContact O-N 3.44Å |
| 764 | L | 85.2 | Confident | 85.3 | Confident | 78 Ų | 78 | 31.8 Ų | 31.8 | 41% | 0.408 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -65.5 | -19.9 | 175.9 | -66 | 175.4 | 0 | 0 | 0 | 114.4 | H762 P768 | H762-L764 WeakPolarHBondContact ND1-CB 3.43Å; H762-L764 PolarHBondContact ND1-N 3.18Å; H762-L764 VanDerWaalsContact ND1-N 3.16Å; H762-L764 PolarHBondContact O-N 3.1Å; L764-P768 WeakPolarHBondContact O-CD 3.12Å; L764-P768 WeakPolarHBondContact O-CG 3.4Å |
| 765 | L | 85.1 | Confident | 85.5 | Confident | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -93.2 | -30.5 | 173.4 | -69.9 | 172.7 | 0 | 0 | 0 | 111.6 | T760 H762 P763 P768 V814 Y817 L818 L901 A905 P906 F909 | T760-L765 HydrophobicContact CG2-CB 4.4Å; H762-L765 HydrophobicContact CB-CD1 4.39Å; H762-L765 PolarHBondContact O-N 2.98Å; H762-L765 VanDerWaalsContact O-N 3.12Å; P763-L765 PolarHBondContact O-N 2.89Å; L765-P768 WeakPolarHBondContact O-CD 3.23Å; L765-V814 HydrophobicContact CB-CG1 4.5Å; L765-V814 HydrophobicContact CD2-CG1 4.47Å; L765-Y817 HydrophobicContact CD2-CD1 4.21Å; L765-Y817 HydrophobicContact CD2-CE1 4.39Å; L765-L818 HydrophobicContact CD1-CD2 3.64Å; L765-L818 HydrophobicContact CD1-CG 4.28Å; L765-L901 HydrophobicContact CD2-CD2 4.04Å; L765-A905 HydrophobicContact CD2-CB 3.97Å; L765-P906 HydrophobicContact CD1-CG 4.24Å; L765-P906 HydrophobicContact CD2-CG 4.3Å; L765-P906 HydrophobicContact CG-CG 4.07Å; L765-F909 HydrophobicContact CD1-CD1 4.32Å; L765-F909 HydrophobicContact CD1-CE1 4.49Å |
| 766 | L | 86.8 | Confident | 85.9 | Confident | 38 Ų | 38 | 30 Ų | 30 | 20% | 0.199 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -65.2 | -41.6 | 174.7 | 179.9 | 64.2 | 0 | 0 | 0 | 112.2 | V756 H762 P763 V769 L770 | V756-L766 HydrophobicContact CB-CD1 4.18Å; V756-L766 HydrophobicContact CG1-CD1 3.68Å; H762-L766 PolarHBondContact O-N 3.46Å; P763-L766 PolarHBondContact O-N 3.02Å; L766-V769 PolarHBondContact O-N 2.61Å; L766-L770 PolarHBondContact O-N 3.22Å |
| 767 | L | 87.6 | Confident | 86.2 | Confident | 71 Ų | 71 | 31.5 Ų | 31.5 | 37% | 0.372 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -62.9 | -44.4 | -174.1 | 179.9 | 145.7 | 0 | 0 | 0 | 113.7 | P763 V769 L770 I771 M904 | P763-L767 PolarHBondContact O-N 3.44Å; L767-V769 VanDerWaalsContact C-N 3.31Å; L767-V769 PolarHBondContact O-N 3.47Å; L767-L770 PolarHBondContact O-N 3.15Å; L767-I771 HydrophobicContact CD2-CD1 3.46Å; L767-I771 VanDerWaalsContact CD2-CD1 3.46Å; L767-I771 HydrophobicContact CD2-CG1 4.45Å; L767-I771 HydrophobicContact CG-CD1 3.94Å; L767-I771 WeakPolarHBondContact O-CG1 3.11Å; L767-I771 PolarHBondContact O-N 2.97Å; L767-M904 HydrophobicContact CD1-CE 4.43Å; L767-M904 HydrophobicContact CD2-CE 3.39Å; L767-M904 HydrophobicContact CD2-SD 3.56Å; L767-M904 VanDerWaalsContact CD2-SD 3.56Å |
| 768 | P | 88.8 | Confident | 86.5 | Confident | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -53.9 | -45 | 170.9 | -30.1 | 36 | 0 | 0 | 0 | 113.6 | L764 L765 T772 L900 L901 | L764-P768 WeakPolarHBondContact O-CD 3.12Å; L764-P768 WeakPolarHBondContact O-CG 3.4Å; L765-P768 WeakPolarHBondContact O-CD 3.23Å; P768-T772 WeakPolarHBondContact O-CG2 3.45Å; P768-T772 PolarHBondContact O-N 3.48Å; P768-T772 VanDerWaalsContact O-N 3.1Å; P768-T772 PolarHBondContact O-OG1 3.18Å; P768-L900 HydrophobicContact CB-CB 3.87Å; P768-L900 HydrophobicContact CB-CD1 4.38Å; P768-L900 HydrophobicContact CG-CB 4.24Å; P768-L901 HydrophobicContact CB-CD2 4.45Å; P768-L901 HydrophobicContact CG-CD2 4.41Å |
| 769 | V | 88.6 | Confident | 86.9 | Confident | 1 Ų | 1 | 31.9 Ų | 31.9 | 1% | 0.006 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -67 | -42.6 | -179.4 | 179.4 | 0 | 0 | 0 | 0 | 111.2 | V756 L766 L767 T772 I773 C810 V814 | V756-V769 HydrophobicContact CG1-CB 4.32Å; V756-V769 HydrophobicContact CG1-CG1 3.92Å; L766-V769 PolarHBondContact O-N 2.61Å; L767-V769 VanDerWaalsContact C-N 3.31Å; L767-V769 PolarHBondContact O-N 3.47Å; V769-T772 PolarHBondContact O-N 3.18Å; V769-T772 PolarHBondContact O-OG1 2.99Å; V769-I773 HydrophobicContact CG1-CD1 3.62Å; V769-I773 HydrophobicContact CG1-CG1 4.33Å; V769-I773 VanDerWaalsContact O-CD1 3.27Å; V769-I773 WeakPolarHBondContact O-CD1 3.44Å; V769-I773 WeakPolarHBondContact O-CG1 3.27Å; V769-I773 PolarHBondContact O-N 3.26Å; V769-C810 HydrophobicContact CG1-CB 4.36Å; V769-V814 HydrophobicContact CG2-CG2 3.62Å |
| 770 | L | 88.3 | Confident | 87.5 | Confident | 58 Ų | 58 | 30.6 Ų | 30.6 | 30% | 0.304 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -63.6 | -44.8 | 178.1 | -178.3 | 65.9 | 0 | 0 | 0 | 112.1 | V753 L766 L767 T772 I773 I774 | V753-L770 HydrophobicContact CG2-CD1 3.65Å; L766-L770 PolarHBondContact O-N 3.22Å; L767-L770 PolarHBondContact O-N 3.15Å; L770-T772 VanDerWaalsContact C-N 3.29Å; L770-T772 PolarHBondContact O-N 3.34Å; L770-I773 PolarHBondContact O-N 2.92Å; L770-I774 HydrophobicContact CD1-CD1 4.03Å; L770-I774 HydrophobicContact CD1-CG1 4.43Å; L770-I774 HydrophobicContact CG-CD1 3.95Å; L770-I774 WeakPolarHBondContact O-CG1 3.49Å; L770-I774 PolarHBondContact O-N 2.84Å |
| 771 | I | 89.1 | Confident | 88 | Confident | 55 Ų | 55 | 31.1 Ų | 31.1 | 28% | 0.282 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -62.8 | -39.5 | 179.4 | -69.9 | 173.8 | 0 | 0 | 0 | 110.7 | F287 L767 G775 L900 | F287-I771 HydrophobicContact CE1-CG2 3.52Å; F287-I771 HydrophobicContact CZ-CG2 3.67Å; L767-I771 HydrophobicContact CD2-CD1 3.46Å; L767-I771 VanDerWaalsContact CD2-CD1 3.46Å; L767-I771 HydrophobicContact CD2-CG1 4.45Å; L767-I771 HydrophobicContact CG-CD1 3.94Å; L767-I771 WeakPolarHBondContact O-CG1 3.11Å; L767-I771 PolarHBondContact O-N 2.97Å; I771-G775 PolarHBondContact O-N 3Å; I771-L900 HydrophobicContact CB-CD1 4.21Å; I771-L900 HydrophobicContact CG2-CD1 3.97Å |
| 772 | T | 89.8 | Confident | 88.4 | Confident | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -72 | -41.2 | -179.7 | 59.3 | 0 | 0 | 0 | 0 | 111.6 | P768 V769 L770 I774 G775 V776 C810 V896 T897 L900 | P768-T772 WeakPolarHBondContact O-CG2 3.45Å; P768-T772 PolarHBondContact O-N 3.48Å; P768-T772 VanDerWaalsContact O-N 3.1Å; P768-T772 PolarHBondContact O-OG1 3.18Å; V769-T772 PolarHBondContact O-N 3.18Å; V769-T772 PolarHBondContact O-OG1 2.99Å; L770-T772 VanDerWaalsContact C-N 3.29Å; L770-T772 PolarHBondContact O-N 3.34Å; T772-I774 PolarHBondContact O-N 3.01Å; T772-G775 PolarHBondContact O-N 3.22Å; T772-V776 WeakPolarHBondContact O-CB 3.49Å; T772-V776 VanDerWaalsContact O-CG2 3.26Å; T772-V776 WeakPolarHBondContact O-CG2 3.46Å; T772-V776 PolarHBondContact O-N 2.98Å; T772-C810 PolarHBondContact OG1-SG 2.9Å; T772-V896 HydrophobicContact CG2-CB 4.43Å; T772-V896 HydrophobicContact CG2-CG1 4.05Å; T772-T897 HydrophobicContact CG2-CG2 4.45Å; T772-T897 WeakPolarHBondContact CG2-OG1 3.32Å; T772-L900 HydrophobicContact CG2-CD1 3.95Å |
| 773 | I | 89 | Confident | 88.8 | Confident | 3 Ų | 3 | 29 Ų | 29 | 2% | 0.015 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -58.6 | -50.2 | 174.7 | -66.7 | 158.7 | 0 | 0 | 0 | 110.9 | L749 V769 L770 G775 V776 I777 V807 | L749-I773 HydrophobicContact CD1-CG2 3.81Å; V769-I773 HydrophobicContact CG1-CD1 3.62Å; V769-I773 HydrophobicContact CG1-CG1 4.33Å; V769-I773 VanDerWaalsContact O-CD1 3.27Å; V769-I773 WeakPolarHBondContact O-CD1 3.44Å; V769-I773 WeakPolarHBondContact O-CG1 3.27Å; V769-I773 PolarHBondContact O-N 3.26Å; L770-I773 PolarHBondContact O-N 2.92Å; I773-G775 VanDerWaalsContact C-N 3.31Å; I773-G775 PolarHBondContact O-N 2.83Å; I773-V776 PolarHBondContact O-N 3.25Å; I773-I777 HydrophobicContact CG2-CD1 3.71Å; I773-I777 HydrophobicContact CG2-CG1 4.48Å; I773-I777 WeakPolarHBondContact O-CG1 3.14Å; I773-I777 PolarHBondContact O-N 3.38Å; I773-V807 HydrophobicContact CD1-CB 4.5Å; I773-V807 HydrophobicContact CD1-CG1 4.46Å; I773-V807 HydrophobicContact CD1-CG2 3.56Å; I773-V807 HydrophobicContact CG1-CG2 3.77Å |
| 774 | I | 88.5 | Confident | 89.3 | Confident | 73 Ų | 73 | 24.6 Ų | 24.6 | 37% | 0.374 | 13% | 0.132 | S | C | . | . | H | α-helix | trans | -60.4 | -44.7 | 178.4 | -67 | 169.3 | 0 | 0 | 0 | 110.1 | L770 T772 V776 I777 C778 | L770-I774 HydrophobicContact CD1-CD1 4.03Å; L770-I774 HydrophobicContact CD1-CG1 4.43Å; L770-I774 HydrophobicContact CG-CD1 3.95Å; L770-I774 WeakPolarHBondContact O-CG1 3.49Å; L770-I774 PolarHBondContact O-N 2.84Å; T772-I774 PolarHBondContact O-N 3.01Å; I774-V776 PolarHBondContact O-N 2.97Å; I774-I777 PolarHBondContact O-N 2.77Å; I774-C778 WeakPolarHBondContact O-CB 3.29Å; I774-C778 PolarHBondContact O-N 3.16Å; I774-C778 PolarHBondContact O-SG 3.03Å |
| 775 | G | 90.9 | Very high | 89.5 | Confident | 1 Ų | 1 | 25 Ų | 25 | 1% | 0.01 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -61 | -42 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | I771 T772 I773 L779 | I771-G775 PolarHBondContact O-N 3Å; T772-G775 PolarHBondContact O-N 3.22Å; I773-G775 VanDerWaalsContact C-N 3.31Å; I773-G775 PolarHBondContact O-N 2.83Å; G775-L779 WeakPolarHBondContact O-CB 3.34Å; G775-L779 PolarHBondContact O-N 3.35Å |
| 776 | V | 92 | Very high | 89.7 | Confident | 2 Ų | 2 | 32.3 Ų | 32.3 | 1% | 0.012 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -63.9 | -50.8 | 177.1 | 167.8 | 0 | 0 | 0 | 0 | 110.4 | T772 I773 I774 C778 L779 V780 N885 V888 S889 F892 | T772-V776 WeakPolarHBondContact O-CB 3.49Å; T772-V776 VanDerWaalsContact O-CG2 3.26Å; T772-V776 WeakPolarHBondContact O-CG2 3.46Å; T772-V776 PolarHBondContact O-N 2.98Å; I773-V776 PolarHBondContact O-N 3.25Å; I774-V776 PolarHBondContact O-N 2.97Å; V776-C778 PolarHBondContact O-N 3.33Å; V776-L779 PolarHBondContact O-N 2.92Å; V776-V780 HydrophobicContact CG1-CG2 4.34Å; V776-V780 VanDerWaalsContact O-CG2 3.32Å; V776-V780 WeakPolarHBondContact O-CG2 3.33Å; V776-V780 PolarHBondContact O-N 3.34Å; V776-N885 VanDerWaalsContact CG1-OD1 3.29Å; V776-N885 WeakPolarHBondContact CG1-OD1 3.03Å; V776-V888 HydrophobicContact CB-CG1 4.41Å; V776-V888 HydrophobicContact CG1-CG1 4.14Å; V776-V888 HydrophobicContact CG2-CG1 4.25Å; V776-S889 WeakPolarHBondContact CG1-OG 3.26Å; V776-F892 HydrophobicContact CG2-CB 3.86Å; V776-F892 HydrophobicContact CG2-CD2 3.84Å; V776-F892 HydrophobicContact CG2-CG 4.04Å |
| 777 | I | 89.3 | Confident | 89.8 | Confident | 33 Ų | 33 | 34.7 Ų | 34.7 | 17% | 0.169 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -60.5 | -47.4 | -179.4 | -65.1 | 167 | 0 | 0 | 0 | 110.5 | L749 I773 I774 L779 V780 V781 V803 | L749-I777 HydrophobicContact CD1-CD1 4.22Å; I773-I777 HydrophobicContact CG2-CD1 3.71Å; I773-I777 HydrophobicContact CG2-CG1 4.48Å; I773-I777 WeakPolarHBondContact O-CG1 3.14Å; I773-I777 PolarHBondContact O-N 3.38Å; I774-I777 PolarHBondContact O-N 2.77Å; I777-L779 VanDerWaalsContact C-N 3.32Å; I777-L779 PolarHBondContact O-N 3.36Å; I777-V780 PolarHBondContact O-N 3.17Å; I777-V781 HydrophobicContact CG2-CG2 4.48Å; I777-V781 WeakPolarHBondContact O-CG2 3.47Å; I777-V781 PolarHBondContact O-N 3.22Å; I777-V803 HydrophobicContact CD1-CB 4.49Å; I777-V803 HydrophobicContact CD1-CG1 4.3Å; I777-V803 HydrophobicContact CD1-CG2 3.7Å; I777-V803 HydrophobicContact CG1-CG2 4.38Å |
| 778 | C | 90.6 | Very high | 89.8 | Confident | 28 Ų | 28 | 34.3 Ų | 34.3 | 19% | 0.189 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -59.2 | -42.5 | 177.6 | -73 | 0 | 0 | 0 | 0 | 112.2 | I774 V776 A782 | I774-C778 WeakPolarHBondContact O-CB 3.29Å; I774-C778 PolarHBondContact O-N 3.16Å; I774-C778 PolarHBondContact O-SG 3.03Å; V776-C778 PolarHBondContact O-N 3.33Å; C778-A782 WeakPolarHBondContact O-CB 3.47Å; C778-A782 PolarHBondContact O-N 2.68Å |
| 779 | L | 92.6 | Very high | 89.6 | Confident | 25 Ų | 25 | 36.1 Ų | 36.1 | 13% | 0.131 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -69.4 | -40.5 | 179 | -177.3 | 59.4 | 0 | 0 | 0 | 112.1 | V290 G775 V776 I777 V781 A782 V783 V888 F892 | V290-L779 HydrophobicContact CG1-CD1 4.16Å; V290-L779 HydrophobicContact CG1-CD2 4.45Å; G775-L779 WeakPolarHBondContact O-CB 3.34Å; G775-L779 PolarHBondContact O-N 3.35Å; V776-L779 PolarHBondContact O-N 2.92Å; I777-L779 VanDerWaalsContact C-N 3.32Å; I777-L779 PolarHBondContact O-N 3.36Å; L779-V781 VanDerWaalsContact C-N 3.33Å; L779-V781 PolarHBondContact O-N 2.87Å; L779-A782 PolarHBondContact O-N 2.84Å; L779-V783 HydrophobicContact CD1-CG2 4.46Å; L779-V783 WeakPolarHBondContact O-CG2 3.36Å; L779-V783 PolarHBondContact O-N 3.5Å; L779-V888 HydrophobicContact CB-CG1 4.24Å; L779-V888 HydrophobicContact CD2-CG1 3.69Å; L779-V888 HydrophobicContact CD2-CG2 4.1Å; L779-V888 HydrophobicContact CG-CG1 4.19Å; L779-V888 HydrophobicContact CG-CG2 4.38Å; L779-F892 HydrophobicContact CB-CZ 4.31Å; L779-F892 HydrophobicContact CD2-CD1 4.49Å; L779-F892 HydrophobicContact CD2-CE1 3.45Å; L779-F892 VanDerWaalsContact CD2-CE1 3.45Å; L779-F892 HydrophobicContact CD2-CE2 4.47Å; L779-F892 HydrophobicContact CD2-CZ 3.45Å; L779-F892 VanDerWaalsContact CD2-CZ 3.45Å; L779-F892 HydrophobicContact CG-CZ 4.49Å |
| 780 | V | 91.4 | Very high | 89.3 | Confident | 2 Ų | 2 | 39.4 Ų | 39.4 | 1% | 0.012 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -59.5 | -46.3 | 175.5 | 171 | 0 | 0 | 0 | 0 | 110.4 | V776 I777 A782 V783 M784 L799 L802 N885 V888 | V776-V780 HydrophobicContact CG1-CG2 4.34Å; V776-V780 VanDerWaalsContact O-CG2 3.32Å; V776-V780 WeakPolarHBondContact O-CG2 3.33Å; V776-V780 PolarHBondContact O-N 3.34Å; I777-V780 PolarHBondContact O-N 3.17Å; V780-A782 VanDerWaalsContact C-N 3.34Å; V780-A782 PolarHBondContact O-N 3.21Å; V780-V783 PolarHBondContact O-N 3.45Å; V780-M784 HydrophobicContact CG1-SD 4.34Å; V780-M784 WeakPolarHBondContact O-CG 3.32Å; V780-M784 PolarHBondContact O-N 2.88Å; V780-L799 HydrophobicContact CG1-CD2 3.92Å; V780-L802 HydrophobicContact CG1-CD1 3.97Å; V780-N885 HydrophobicContact CG2-CB 4.26Å; V780-V888 HydrophobicContact CG2-CB 4.47Å |
| 781 | V | 89.4 | Confident | 88.8 | Confident | 16 Ų | 16 | 38.2 Ų | 38.2 | 10% | 0.097 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -63.8 | -38.6 | 176.7 | 175.1 | 0 | 0 | 0 | 0 | 111.6 | C298 L301 I777 L779 M784 Y785 L799 | C298-V781 HydrophobicContact CB-CG1 4.3Å; C298-V781 VanDerWaalsContact SG-CG1 3.58Å; L301-V781 HydrophobicContact CD2-CG1 3.53Å; I777-V781 HydrophobicContact CG2-CG2 4.48Å; I777-V781 WeakPolarHBondContact O-CG2 3.47Å; I777-V781 PolarHBondContact O-N 3.22Å; L779-V781 VanDerWaalsContact C-N 3.33Å; L779-V781 PolarHBondContact O-N 2.87Å; V781-M784 WeakPolarHBondContact O-CB 3.28Å; V781-M784 PolarHBondContact O-N 3.21Å; V781-Y785 PolarHBondContact O-N 2.94Å; V781-L799 HydrophobicContact CG2-CD1 3.98Å; V781-L799 HydrophobicContact CG2-CD2 3.96Å |
| 782 | A | 91.7 | Very high | 88.1 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -65 | -37.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | C297 C778 L779 V780 M784 Y785 W786 | C297-A782 HydrophobicContact CB-CB 3.8Å; C778-A782 WeakPolarHBondContact O-CB 3.47Å; C778-A782 PolarHBondContact O-N 2.68Å; L779-A782 PolarHBondContact O-N 2.84Å; V780-A782 VanDerWaalsContact C-N 3.34Å; V780-A782 PolarHBondContact O-N 3.21Å; A782-M784 VanDerWaalsContact C-N 3.35Å; A782-Y785 WeakPolarHBondContact O-CB 3.28Å; A782-Y785 PolarHBondContact O-N 3.28Å; A782-W786 PolarHBondContact O-N 3.01Å |
| 783 | V | 91.5 | Very high | 87.2 | Confident | 29 Ų | 29 | 37.4 Ų | 37.4 | 18% | 0.176 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -64.7 | -40.3 | 173 | 171.9 | 0 | 0 | 0 | 0 | 110.7 | L779 V780 Y785 W786 L787 I884 | L779-V783 HydrophobicContact CD1-CG2 4.46Å; L779-V783 WeakPolarHBondContact O-CG2 3.36Å; L779-V783 PolarHBondContact O-N 3.5Å; V780-V783 PolarHBondContact O-N 3.45Å; V783-Y785 VanDerWaalsContact C-N 3.3Å; V783-Y785 PolarHBondContact O-N 3.4Å; V783-W786 HydrophobicContact CG2-CE3 4.31Å; V783-W786 PolarHBondContact O-N 2.88Å; V783-L787 HydrophobicContact CG1-CD1 3.96Å; V783-L787 HydrophobicContact CG1-CG 4.36Å; V783-L787 WeakPolarHBondContact O-CG 3.49Å; V783-L787 PolarHBondContact O-N 2.99Å; V783-I884 HydrophobicContact CB-CG2 4.38Å; V783-I884 HydrophobicContact CG1-CD1 4.12Å; V783-I884 HydrophobicContact CG1-CG2 4Å |
| 784 | M | 88.7 | Confident | 86.6 | Confident | 3 Ų | 3 | 38.6 Ų | 38.6 | 2% | 0.015 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -59.6 | -41.3 | 174 | -66.7 | 168.9 | 60.1 | 0 | 0 | 111.8 | V780 V781 A782 L787 G788 W789 M791 E795 L799 | V780-M784 HydrophobicContact CG1-SD 4.34Å; V780-M784 WeakPolarHBondContact O-CG 3.32Å; V780-M784 PolarHBondContact O-N 2.88Å; V781-M784 WeakPolarHBondContact O-CB 3.28Å; V781-M784 PolarHBondContact O-N 3.21Å; A782-M784 VanDerWaalsContact C-N 3.35Å; M784-L787 PolarHBondContact O-N 3.4Å; M784-G788 PolarHBondContact O-N 2.99Å; M784-W789 HydrophobicContact CB-CB 4.46Å; M784-W789 HydrophobicContact CB-CE3 4.3Å; M784-W789 HydrophobicContact CG-CE3 3.91Å; M784-W789 HydrophobicContact CG-CZ3 4.32Å; M784-W789 PolarHBondContact O-N 3.03Å; M784-M791 HydrophobicContact CE-SD 3.6Å; M784-E795 HydrophobicContact CE-CB 3.79Å; M784-E795 HydrophobicContact CE-CG 3.89Å; M784-L799 HydrophobicContact CE-CD1 4.18Å; M784-L799 HydrophobicContact SD-CD1 4.09Å; M784-L799 HydrophobicContact SD-CD2 3.99Å; M784-L799 HydrophobicContact SD-CG 4.23Å |
| 785 | Y | 89.7 | Confident | 86.2 | Confident | 87 Ų | 87 | 36.4 Ų | 36.4 | 34% | 0.341 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -61.3 | -45 | 173.6 | 174.4 | -102.5 | 0 | 0 | 0 | 112.2 | C297 L300 L301 V781 A782 V783 L787 G788 | C297-Y785 HydrophobicContact CB-CD1 3.97Å; C297-Y785 HydrophobicContact CB-CG 4.45Å; L300-Y785 HydrophobicContact CB-CD2 4.44Å; L300-Y785 HydrophobicContact CB-CE2 3.79Å; L301-Y785 HydrophobicContact CD1-CD2 4.39Å; V781-Y785 PolarHBondContact O-N 2.94Å; A782-Y785 WeakPolarHBondContact O-CB 3.28Å; A782-Y785 PolarHBondContact O-N 3.28Å; V783-Y785 VanDerWaalsContact C-N 3.3Å; V783-Y785 PolarHBondContact O-N 3.4Å; Y785-L787 VanDerWaalsContact C-N 3.29Å; Y785-L787 PolarHBondContact O-N 3.42Å; Y785-G788 WeakPolarHBondContact O-CA 3.46Å; Y785-G788 PolarHBondContact O-N 3.15Å |
| 786 | W | 90.5 | Very high | 85.6 | Confident | 154 Ų | 154 | 36.5 Ų | 36.5 | 58% | 0.583 | 20% | 0.196 | S | C | * | . | H | α-helix | trans | -64.6 | -32.1 | 177.1 | -78.4 | -26.4 | 0 | 0 | 0 | 113.9 | F293 A782 V783 G788 | F293-W786 HydrophobicContact CD1-CH2 4.49Å; F293-W786 HydrophobicContact CD1-CZ2 4.18Å; F293-W786 AromaticContact CE1-CE2 3.8Å; F293-W786 AromaticContact CE1-CH2 3.81Å; F293-W786 HydrophobicContact CE1-CH2 3.81Å; F293-W786 AromaticContact CE1-CZ2 3.13Å; F293-W786 HydrophobicContact CE1-CZ2 3.13Å; F293-W786 AromaticContact CZ-CZ2 3.56Å; F293-W786 HydrophobicContact CZ-CZ2 3.56Å; A782-W786 PolarHBondContact O-N 3.01Å; V783-W786 HydrophobicContact CG2-CE3 4.31Å; V783-W786 PolarHBondContact O-N 2.88Å; W786-G788 PolarHBondContact O-N 2.73Å |
| 787 | L | 88.9 | Confident | 85 | Confident | 88 Ų | 88 | 37.1 Ų | 37.1 | 46% | 0.461 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.6 | -0.7 | 172.9 | -65.1 | 173.2 | 0 | 0 | 0 | 112.8 | V783 M784 Y785 W789 I884 | V783-L787 HydrophobicContact CG1-CD1 3.96Å; V783-L787 HydrophobicContact CG1-CG 4.36Å; V783-L787 WeakPolarHBondContact O-CG 3.49Å; V783-L787 PolarHBondContact O-N 2.99Å; M784-L787 PolarHBondContact O-N 3.4Å; Y785-L787 VanDerWaalsContact C-N 3.29Å; Y785-L787 PolarHBondContact O-N 3.42Å; L787-W789 VanDerWaalsContact C-N 3.29Å; L787-W789 HydrophobicContact CB-CD2 4.15Å; L787-W789 HydrophobicContact CB-CG 4.16Å; L787-W789 HydrophobicContact CB-CZ2 4.41Å; L787-W789 HydrophobicContact CD1-CD2 4.44Å; L787-W789 HydrophobicContact CD1-CH2 3.97Å; L787-W789 HydrophobicContact CD1-CZ2 3.73Å; L787-W789 HydrophobicContact CD1-CZ3 4.4Å; L787-W789 PolarHBondContact O-N 2.68Å; L787-I884 HydrophobicContact CD1-CD1 3.99Å |
| 788 | G | 86.2 | Confident | 84.7 | Confident | 62 Ų | 62 | 35.7 Ų | 35.7 | 64% | 0.639 | 19% | 0.192 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 68.4 | 27 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | M784 Y785 W786 | M784-G788 PolarHBondContact O-N 2.99Å; Y785-G788 WeakPolarHBondContact O-CA 3.46Å; Y785-G788 PolarHBondContact O-N 3.15Å; W786-G788 PolarHBondContact O-N 2.73Å |
| 789 | W | 84.6 | Confident | 84.4 | Confident | 38 Ų | 38 | 34.7 Ų | 34.7 | 14% | 0.144 | 18% | 0.184 | C | C | . | . | trans | -83.5 | 133.9 | 179.8 | -63.4 | -1.5 | 0 | 0 | 0 | 110.6 | M784 L787 K877 Q880 I881 I884 | M784-W789 HydrophobicContact CB-CB 4.46Å; M784-W789 HydrophobicContact CB-CE3 4.3Å; M784-W789 HydrophobicContact CG-CE3 3.91Å; M784-W789 HydrophobicContact CG-CZ3 4.32Å; M784-W789 PolarHBondContact O-N 3.03Å; L787-W789 VanDerWaalsContact C-N 3.29Å; L787-W789 HydrophobicContact CB-CD2 4.15Å; L787-W789 HydrophobicContact CB-CG 4.16Å; L787-W789 HydrophobicContact CB-CZ2 4.41Å; L787-W789 HydrophobicContact CD1-CD2 4.44Å; L787-W789 HydrophobicContact CD1-CH2 3.97Å; L787-W789 HydrophobicContact CD1-CZ2 3.73Å; L787-W789 HydrophobicContact CD1-CZ3 4.4Å; L787-W789 PolarHBondContact O-N 2.68Å; W789-K877 VanDerWaalsContact CD2-NZ 3.33Å; W789-K877 HydrophobicContact CH2-CD 4.32Å; W789-K877 HydrophobicContact CZ2-CD 4.33Å; W789-K877 HydrophobicContact CZ3-CD 4.44Å; W789-Q880 HydrophobicContact CH2-CB 3.88Å; W789-Q880 VanDerWaalsContact CH2-OE1 3.3Å; W789-Q880 VanDerWaalsContact CZ2-OE1 3.23Å; W789-I881 HydrophobicContact CE3-CG1 4.48Å; W789-I881 HydrophobicContact CZ3-CD1 4.25Å; W789-I881 HydrophobicContact CZ3-CG1 3.67Å; W789-I884 HydrophobicContact CH2-CD1 4.48Å | ||
| 790 | E | 82.6 | Confident | 83.9 | Confident | 70 Ų | 70 | 33.5 Ų | 33.5 | 33% | 0.327 | 18% | 0.178 | S | C | . | . | trans | -84.3 | 149.6 | 172.4 | -53.9 | -171.2 | 163.5 | 0 | 0 | 110.1 | A304 T305 G792 | A304-E790 WeakPolarHBondContact CA-OE2 3.2Å; A304-E790 HydrophobicContact CB-CB 4.31Å; T305-E790 PolarHBondContact N-OE2 3.43Å; T305-E790 PolarHBondContact OG1-OE1 2.87Å; T305-E790 PolarHBondContact OG1-OE2 2.77Å; E790-G792 PolarHBondContact O-N 2.93Å | ||
| 791 | M | 77 | Confident | 83.4 | Confident | 33 Ų | 33 | 33.7 Ų | 33.7 | 16% | 0.163 | 18% | 0.179 | C | C | . | . | B | Isolated β-bridge | trans | -80.1 | 101.3 | 177.1 | -79.1 | -65.7 | -78.1 | 0 | 0 | 111.5 | L301 R302 A304 M784 E795 L799 | L301-M791 HydrophobicContact CD1-CG 4.3Å; L301-M791 HydrophobicContact CD2-CG 3.16Å; L301-M791 HydrophobicContact CD2-SD 3.86Å; L301-M791 HydrophobicContact CG-CG 3.64Å; R302-M791 PolarHBondContact O-N 2.83Å; R302-M791 VanDerWaalsContact O-N 3.1Å; A304-M791 VanDerWaalsContact CB-O 3.32Å; A304-M791 WeakPolarHBondContact CB-O 3.38Å; A304-M791 PolarHBondContact N-O 3.37Å; M784-M791 HydrophobicContact CE-SD 3.6Å; M791-E795 HydrophobicContact SD-CB 4.07Å; M791-L799 HydrophobicContact CE-CD1 3.52Å; M791-L799 HydrophobicContact SD-CD1 3.94Å |
| 792 | G | 74.5 | Confident | 83.1 | Confident | 8 Ų | 8 | 33 Ų | 33 | 8% | 0.082 | 18% | 0.175 | C | C | . | . | trans | -101.8 | -175.7 | 170.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | E790 E795 A796 | E790-G792 PolarHBondContact O-N 2.93Å; G792-E795 WeakPolarHBondContact CA-OE2 3.29Å; G792-E795 PolarHBondContact N-OE2 3.33Å; G792-E795 VanDerWaalsContact N-OE2 3.15Å; G792-A796 WeakPolarHBondContact O-CB 3.39Å; G792-A796 PolarHBondContact O-N 2.87Å; G792-A796 VanDerWaalsContact O-N 3.09Å | ||
| 793 | A | 71.6 | Confident | 82.7 | Confident | 30 Ų | 30 | 33 Ų | 33 | 25% | 0.248 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -63.1 | -42 | 177 | 0 | 0 | 0 | 0 | 0 | 111.8 | A796 I797 | A793-A796 PolarHBondContact O-N 3.5Å; A793-I797 WeakPolarHBondContact O-CD1 3.36Å; A793-I797 WeakPolarHBondContact O-CG1 3.32Å; A793-I797 PolarHBondContact O-N 2.9Å |
| 794 | V | 75.6 | Confident | 82.1 | Confident | 29 Ų | 29 | 31.7 Ų | 31.7 | 18% | 0.176 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -64.8 | -43.3 | -178.9 | -179.6 | 0 | 0 | 0 | 0 | 111.2 | I797 S798 P874 | V794-I797 PolarHBondContact O-N 3.31Å; V794-S798 WeakPolarHBondContact O-CB 3.22Å; V794-S798 PolarHBondContact O-N 3.18Å; V794-S798 PolarHBondContact O-OG 3.42Å; V794-P874 HydrophobicContact CG1-CB 3.95Å; V794-P874 HydrophobicContact CG2-CB 4.17Å; V794-P874 HydrophobicContact CG2-CG 4.17Å |
| 795 | E | 81.6 | Confident | 81.9 | Confident | 26 Ų | 26 | 32.8 Ų | 32.8 | 12% | 0.121 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -62.9 | -43.1 | 176.5 | -69.7 | 74.8 | -163.5 | 0 | 0 | 111.2 | M784 M791 G792 S798 L799 I881 | M784-E795 HydrophobicContact CE-CB 3.79Å; M784-E795 HydrophobicContact CE-CG 3.89Å; M791-E795 HydrophobicContact SD-CB 4.07Å; G792-E795 WeakPolarHBondContact CA-OE2 3.29Å; G792-E795 PolarHBondContact N-OE2 3.33Å; G792-E795 VanDerWaalsContact N-OE2 3.15Å; E795-S798 PolarHBondContact O-N 3.4Å; E795-L799 WeakPolarHBondContact O-CB 3.38Å; E795-L799 WeakPolarHBondContact O-CG 3.41Å; E795-L799 PolarHBondContact O-N 3.18Å; E795-I881 HydrophobicContact CG-CD1 4.47Å |
| 796 | A | 78.3 | Confident | 81.7 | Confident | 3 Ų | 3 | 28.8 Ų | 28.8 | 3% | 0.025 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -64.8 | -43 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | A741 G792 A793 S798 L799 S800 | A741-A796 HydrophobicContact CB-CB 3.51Å; G792-A796 WeakPolarHBondContact O-CB 3.39Å; G792-A796 PolarHBondContact O-N 2.87Å; G792-A796 VanDerWaalsContact O-N 3.09Å; A793-A796 PolarHBondContact O-N 3.5Å; A796-S798 VanDerWaalsContact C-N 3.35Å; A796-L799 PolarHBondContact O-N 3.4Å; A796-S800 PolarHBondContact O-N 3Å |
| 797 | I | 78.9 | Confident | 81.3 | Confident | 16 Ų | 16 | 21.4 Ų | 21.4 | 8% | 0.082 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -63.2 | -43 | 173.7 | -62.2 | 151.8 | 0 | 0 | 0 | 110.5 | V156 A793 V794 L799 S800 I801 | V156-I797 HydrophobicContact CB-CD1 4.41Å; V156-I797 HydrophobicContact CG1-CD1 4.34Å; V156-I797 HydrophobicContact CG1-CG1 3.92Å; V156-I797 HydrophobicContact CG1-CG2 4.18Å; V156-I797 HydrophobicContact CG2-CD1 3.21Å; V156-I797 HydrophobicContact CG2-CG1 3.72Å; A793-I797 WeakPolarHBondContact O-CD1 3.36Å; A793-I797 WeakPolarHBondContact O-CG1 3.32Å; A793-I797 PolarHBondContact O-N 2.9Å; V794-I797 PolarHBondContact O-N 3.31Å; I797-L799 VanDerWaalsContact C-N 3.34Å; I797-L799 PolarHBondContact O-N 2.94Å; I797-S800 PolarHBondContact O-N 3.02Å; I797-S800 PolarHBondContact O-OG 3.39Å; I797-I801 HydrophobicContact CG2-CD1 3.76Å; I797-I801 WeakPolarHBondContact O-CD1 3.36Å; I797-I801 VanDerWaalsContact O-CG1 3.23Å; I797-I801 WeakPolarHBondContact O-CG1 3.14Å; I797-I801 PolarHBondContact O-N 3.32Å |
| 798 | S | 83.1 | Confident | 81.2 | Confident | 2 Ų | 2 | 17.9 Ų | 17.9 | 1% | 0.014 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -61.1 | -46.9 | 178.4 | -57.3 | 0 | 0 | 0 | 0 | 110.1 | V794 E795 A796 S800 I801 L802 | V794-S798 WeakPolarHBondContact O-CB 3.22Å; V794-S798 PolarHBondContact O-N 3.18Å; V794-S798 PolarHBondContact O-OG 3.42Å; E795-S798 PolarHBondContact O-N 3.4Å; A796-S798 VanDerWaalsContact C-N 3.35Å; S798-S800 PolarHBondContact O-N 3.06Å; S798-I801 WeakPolarHBondContact O-CB 3.26Å; S798-I801 PolarHBondContact O-N 3.07Å; S798-L802 VanDerWaalsContact O-CG 3.29Å; S798-L802 WeakPolarHBondContact O-CG 3.33Å; S798-L802 PolarHBondContact O-N 2.85Å |
| 799 | L | 84 | Confident | 81.3 | Confident | 7 Ų | 7 | 15.3 Ų | 15.3 | 4% | 0.037 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -61.4 | -40.4 | 177.2 | -74.8 | 168.7 | 0 | 0 | 0 | 113 | L745 V780 V781 M784 M791 E795 A796 I797 I801 L802 V803 | L745-L799 HydrophobicContact CD1-CB 4.46Å; V780-L799 HydrophobicContact CG1-CD2 3.92Å; V781-L799 HydrophobicContact CG2-CD1 3.98Å; V781-L799 HydrophobicContact CG2-CD2 3.96Å; M784-L799 HydrophobicContact CE-CD1 4.18Å; M784-L799 HydrophobicContact SD-CD1 4.09Å; M784-L799 HydrophobicContact SD-CD2 3.99Å; M784-L799 HydrophobicContact SD-CG 4.23Å; M791-L799 HydrophobicContact CE-CD1 3.52Å; M791-L799 HydrophobicContact SD-CD1 3.94Å; E795-L799 WeakPolarHBondContact O-CB 3.38Å; E795-L799 WeakPolarHBondContact O-CG 3.41Å; E795-L799 PolarHBondContact O-N 3.18Å; A796-L799 PolarHBondContact O-N 3.4Å; I797-L799 VanDerWaalsContact C-N 3.34Å; I797-L799 PolarHBondContact O-N 2.94Å; L799-I801 VanDerWaalsContact C-N 3.26Å; L799-I801 PolarHBondContact O-N 3.24Å; L799-L802 HydrophobicContact CD2-CD1 4.24Å; L799-L802 PolarHBondContact O-N 2.99Å; L799-V803 WeakPolarHBondContact O-CG2 3.49Å; L799-V803 PolarHBondContact O-N 2.88Å |
| 800 | S | 81.6 | Confident | 81.6 | Confident | 0 Ų | 0 | 13.6 Ų | 13.6 | 0% | 0 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -62.8 | -35.8 | 178.4 | 73.6 | 0 | 0 | 0 | 0 | 112.5 | N148 S748 A796 I797 S798 | N148-S800 PolarHBondContact OD1-OG 3.35Å; S748-S800 PolarHBondContact OG-O 2.9Å; A796-S800 PolarHBondContact O-N 3Å; I797-S800 PolarHBondContact O-N 3.02Å; I797-S800 PolarHBondContact O-OG 3.39Å; S798-S800 PolarHBondContact O-N 3.06Å |
| 801 | I | 81 | Confident | 81.8 | Confident | 6 Ų | 6 | 10.8 Ų | 10.8 | 3% | 0.031 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -71.4 | -42.3 | 176.1 | -65.8 | 159.7 | 0 | 0 | 0 | 111.2 | Y145 F159 I797 S798 L799 V803 G804 F878 | Y145-I801 HydrophobicContact CD1-CG1 4.06Å; Y145-I801 HydrophobicContact CD1-CG2 4.28Å; Y145-I801 HydrophobicContact CE1-CB 4.09Å; Y145-I801 HydrophobicContact CE1-CD1 4.12Å; Y145-I801 HydrophobicContact CE1-CG1 3.72Å; Y145-I801 HydrophobicContact CE1-CG2 3.32Å; Y145-I801 VanDerWaalsContact CZ-CG2 3.46Å; Y145-I801 VanDerWaalsContact OH-CG2 3.24Å; Y145-I801 WeakPolarHBondContact OH-CG2 3.35Å; F159-I801 HydrophobicContact CD1-CD1 4.38Å; F159-I801 HydrophobicContact CE1-CD1 3.37Å; F159-I801 HydrophobicContact CE1-CG1 4.24Å; F159-I801 HydrophobicContact CZ-CD1 3.93Å; I797-I801 HydrophobicContact CG2-CD1 3.76Å; I797-I801 WeakPolarHBondContact O-CD1 3.36Å; I797-I801 VanDerWaalsContact O-CG1 3.23Å; I797-I801 WeakPolarHBondContact O-CG1 3.14Å; I797-I801 PolarHBondContact O-N 3.32Å; S798-I801 WeakPolarHBondContact O-CB 3.26Å; S798-I801 PolarHBondContact O-N 3.07Å; L799-I801 VanDerWaalsContact C-N 3.26Å; L799-I801 PolarHBondContact O-N 3.24Å; I801-V803 PolarHBondContact O-N 3Å; I801-G804 PolarHBondContact O-N 3.33Å; I801-F878 HydrophobicContact CB-CE2 4.44Å; I801-F878 HydrophobicContact CD1-CD2 4.48Å; I801-F878 HydrophobicContact CD1-CE2 3.74Å; I801-F878 HydrophobicContact CG2-CE2 4.1Å; I801-F878 HydrophobicContact CG2-CZ 4.28Å |
| 802 | L | 83.3 | Confident | 82.3 | Confident | 3 Ų | 3 | 9.7 Ų | 9.7 | 2% | 0.016 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -58.6 | -31.8 | 179.9 | -70.5 | -173 | 0 | 0 | 0 | 112.7 | V780 S798 L799 G804 S805 S806 I881 V882 N885 | V780-L802 HydrophobicContact CG1-CD1 3.97Å; S798-L802 VanDerWaalsContact O-CG 3.29Å; S798-L802 WeakPolarHBondContact O-CG 3.33Å; S798-L802 PolarHBondContact O-N 2.85Å; L799-L802 HydrophobicContact CD2-CD1 4.24Å; L799-L802 PolarHBondContact O-N 2.99Å; L802-G804 PolarHBondContact O-N 3.49Å; L802-S805 PolarHBondContact O-N 3.07Å; L802-S805 VanDerWaalsContact O-N 3.16Å; L802-S805 PolarHBondContact O-OG 2.82Å; L802-S806 WeakPolarHBondContact O-CB 3.48Å; L802-S806 PolarHBondContact O-N 3.28Å; L802-S806 PolarHBondContact O-OG 3.39Å; L802-I881 HydrophobicContact CD1-CG2 3.15Å; L802-I881 HydrophobicContact CD2-CG2 4.14Å; L802-I881 HydrophobicContact CG-CG2 3.81Å; L802-V882 HydrophobicContact CD2-CB 4.25Å; L802-V882 HydrophobicContact CD2-CG2 3.72Å; L802-N885 HydrophobicContact CD1-CB 3.57Å; L802-N885 HydrophobicContact CD2-CB 3.64Å; L802-N885 HydrophobicContact CG-CB 4.07Å |
| 803 | V | 83.9 | Confident | 83 | Confident | 0 Ų | 0 | 9.3 Ų | 9.3 | 0% | 0 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -54.9 | -35.9 | 176.8 | -175.8 | 0 | 0 | 0 | 0 | 111.5 | L745 L749 C752 I777 L799 I801 V807 | L745-V803 HydrophobicContact CD1-CG2 3.57Å; L749-V803 HydrophobicContact CB-CG1 4.3Å; L749-V803 HydrophobicContact CD1-CG1 3.83Å; C752-V803 HydrophobicContact CB-CG1 4.37Å; I777-V803 HydrophobicContact CD1-CB 4.49Å; I777-V803 HydrophobicContact CD1-CG1 4.3Å; I777-V803 HydrophobicContact CD1-CG2 3.7Å; I777-V803 HydrophobicContact CG1-CG2 4.38Å; L799-V803 WeakPolarHBondContact O-CG2 3.49Å; L799-V803 PolarHBondContact O-N 2.88Å; I801-V803 PolarHBondContact O-N 3Å; V803-V807 WeakPolarHBondContact O-CG2 3.5Å |
| 804 | G | 79.1 | Confident | 83.8 | Confident | 1 Ų | 1 | 8 Ų | 8 | 1% | 0.01 | 5% | 0.045 | C | C | . | . | H | α-helix | trans | -64.9 | -55 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | I801 L802 S806 V807 | I801-G804 PolarHBondContact O-N 3.33Å; L802-G804 PolarHBondContact O-N 3.49Å; G804-S806 PolarHBondContact O-N 2.95Å; G804-V807 PolarHBondContact O-N 2.65Å |
| 805 | S | 82.8 | Confident | 84.3 | Confident | 26 Ų | 26 | 7.1 Ų | 7.1 | 18% | 0.182 | 4% | 0.039 | C | C | . | . | H | α-helix | trans | -73.2 | -23.8 | -174.4 | 61.8 | 0 | 0 | 0 | 0 | 114.9 | L802 V807 N885 | L802-S805 PolarHBondContact O-N 3.07Å; L802-S805 VanDerWaalsContact O-N 3.16Å; L802-S805 PolarHBondContact O-OG 2.82Å; S805-V807 VanDerWaalsContact C-N 3.28Å; S805-V807 PolarHBondContact O-N 2.86Å; S805-N885 PolarHBondContact OG-ND2 2.89Å |
| 806 | S | 86.2 | Confident | 84.5 | Confident | 2 Ų | 2 | 6 Ų | 6 | 1% | 0.014 | 3% | 0.034 | C | C | . | . | H | α-helix | trans | -68.3 | -28.7 | 174.3 | -59.6 | 0 | 0 | 0 | 0 | 112.7 | L802 G804 N885 S889 | L802-S806 WeakPolarHBondContact O-CB 3.48Å; L802-S806 PolarHBondContact O-N 3.28Å; L802-S806 PolarHBondContact O-OG 3.39Å; G804-S806 PolarHBondContact O-N 2.95Å; S806-N885 VanDerWaalsContact OG-CG 3.25Å; S806-N885 PolarHBondContact OG-ND2 3.11Å; S806-N885 PolarHBondContact OG-OD1 3.32Å; S806-S889 PolarHBondContact OG-OG 3.48Å |
| 807 | V | 83.3 | Confident | 85 | Confident | 0 Ų | 0 | 6 Ų | 6 | 0% | 0 | 3% | 0.034 | C | C | . | . | H | α-helix | trans | -74.6 | -32.3 | -177.2 | 176.6 | 0 | 0 | 0 | 0 | 111 | C752 V756 I773 V803 G804 S805 Y809 C810 L811 | C752-V807 HydrophobicContact CB-CG2 4.37Å; V756-V807 HydrophobicContact CG2-CG1 3.69Å; I773-V807 HydrophobicContact CD1-CB 4.5Å; I773-V807 HydrophobicContact CD1-CG1 4.46Å; I773-V807 HydrophobicContact CD1-CG2 3.56Å; I773-V807 HydrophobicContact CG1-CG2 3.77Å; V803-V807 WeakPolarHBondContact O-CG2 3.5Å; G804-V807 PolarHBondContact O-N 2.65Å; S805-V807 VanDerWaalsContact C-N 3.28Å; S805-V807 PolarHBondContact O-N 2.86Å; V807-Y809 PolarHBondContact O-N 3.45Å; V807-C810 PolarHBondContact O-N 3.04Å; V807-C810 VanDerWaalsContact O-N 3.16Å; V807-L811 HydrophobicContact CG1-CD1 3.52Å; V807-L811 HydrophobicContact CG1-CG 3.63Å; V807-L811 WeakPolarHBondContact O-CG 3.29Å; V807-L811 PolarHBondContact O-N 3Å |
| 808 | D | 86.6 | Confident | 85.3 | Confident | 14 Ų | 14 | 5.7 Ų | 5.7 | 8% | 0.075 | 3% | 0.032 | C | C | . | . | H | α-helix | trans | -57.1 | -48.6 | -170.7 | -66.2 | -18.9 | 0 | 0 | 0 | 112.4 | T137 T141 C810 L811 H812 | T137-D808 HydrophobicContact CG2-CB 4.05Å; T141-D808 PolarHBondContact OG1-OD1 3.36Å; T141-D808 PolarHBondContact OG1-OD2 2.88Å; T141-D808 VanDerWaalsContact OG1-OD2 3.07Å; D808-C810 PolarHBondContact O-N 2.94Å; D808-L811 PolarHBondContact O-N 3.26Å; D808-H812 PolarHBondContact O-CD2 3.48Å; D808-H812 VanDerWaalsContact O-CD2 3.22Å; D808-H812 PolarHBondContact O-N 2.95Å |
| 809 | Y | 88.6 | Confident | 85.2 | Confident | 8 Ų | 8 | 6.5 Ų | 6.5 | 3% | 0.031 | 4% | 0.036 | C | C | . | . | H | α-helix | trans | -63.7 | -41.3 | 179.4 | -53.7 | -60.5 | 0 | 0 | 0 | 112.6 | V807 L813 I853 A857 T886 T893 | V807-Y809 PolarHBondContact O-N 3.45Å; Y809-L813 PolarHBondContact O-N 3.45Å; Y809-I853 HydrophobicContact CD1-CG2 3.89Å; Y809-I853 HydrophobicContact CG-CG2 4.36Å; Y809-A857 HydrophobicContact CE1-CB 4.06Å; Y809-T886 WeakPolarHBondContact OH-CG2 3.4Å; Y809-T893 WeakPolarHBondContact CB-OG1 3.32Å; Y809-T893 WeakPolarHBondContact O-CG2 3.4Å |
| 810 | C | 89.1 | Confident | 85.1 | Confident | 1 Ų | 1 | 6.9 Ų | 6.9 | 1% | 0.007 | 4% | 0.04 | C | C | . | . | H | α-helix | trans | -65.7 | -40.3 | 177.5 | -72.9 | 0 | 0 | 0 | 0 | 111.1 | V769 T772 V807 D808 L813 V814 T893 T897 | V769-C810 HydrophobicContact CG1-CB 4.36Å; T772-C810 PolarHBondContact OG1-SG 2.9Å; V807-C810 PolarHBondContact O-N 3.04Å; V807-C810 VanDerWaalsContact O-N 3.16Å; D808-C810 PolarHBondContact O-N 2.94Å; C810-L813 PolarHBondContact O-N 3.4Å; C810-V814 WeakPolarHBondContact O-CG2 3.29Å; C810-V814 PolarHBondContact O-N 2.92Å; C810-T893 PolarHBondContact SG-OG1 3.24Å; C810-T893 VanDerWaalsContact SG-OG1 3.33Å; C810-T897 PolarHBondContact SG-OG1 3.25Å |
| 811 | L | 87.5 | Confident | 85 | Confident | 12 Ų | 12 | 7 Ų | 7 | 6% | 0.063 | 4% | 0.041 | C | C | . | . | H | α-helix | trans | -65.4 | -44.8 | 177.5 | -77.2 | -177.6 | 0 | 0 | 0 | 112.4 | T137 T140 V756 V807 D808 L813 V814 E815 | T137-L811 HydrophobicContact CG2-CB 4.37Å; T140-L811 HydrophobicContact CG2-CD1 4.16Å; V756-L811 HydrophobicContact CB-CD2 4.45Å; V756-L811 HydrophobicContact CG1-CD2 3.92Å; V756-L811 HydrophobicContact CG2-CD1 4.13Å; V756-L811 HydrophobicContact CG2-CD2 3.9Å; V756-L811 HydrophobicContact CG2-CG 4.31Å; V807-L811 HydrophobicContact CG1-CD1 3.52Å; V807-L811 HydrophobicContact CG1-CG 3.63Å; V807-L811 WeakPolarHBondContact O-CG 3.29Å; V807-L811 PolarHBondContact O-N 3Å; D808-L811 PolarHBondContact O-N 3.26Å; L811-L813 VanDerWaalsContact C-N 3.25Å; L811-L813 PolarHBondContact O-N 3.28Å; L811-V814 PolarHBondContact O-N 2.87Å; L811-E815 VanDerWaalsContact O-CB 3.28Å; L811-E815 WeakPolarHBondContact O-CB 3.47Å; L811-E815 PolarHBondContact O-N 3.46Å |
| 812 | H | 87.4 | Confident | 84.7 | Confident | 9 Ų | 9 | 9.6 Ų | 9.6 | 4% | 0.042 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -57.7 | -41 | 175 | -81.3 | -59.9 | 0 | 0 | 0 | 111.7 | T137 D808 G816 V849 I853 | T137-H812 WeakPolarHBondContact CG2-NE2 3.44Å; D808-H812 PolarHBondContact O-CD2 3.48Å; D808-H812 VanDerWaalsContact O-CD2 3.22Å; D808-H812 PolarHBondContact O-N 2.95Å; H812-G816 PolarHBondContact O-N 2.81Å; H812-V849 HydrophobicContact CB-CG1 3.95Å; H812-I853 HydrophobicContact CB-CD1 4.07Å; H812-I853 HydrophobicContact CB-CG1 3.95Å |
| 813 | L | 89.4 | Confident | 84.1 | Confident | 0 Ų | 0 | 13.5 Ų | 13.5 | 0% | 0 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -67.4 | -42.4 | 177.4 | -176.3 | 61.3 | 0 | 0 | 0 | 112.6 | Y809 C810 L811 G816 Y817 A845 V846 I853 T893 T897 L901 | Y809-L813 PolarHBondContact O-N 3.45Å; C810-L813 PolarHBondContact O-N 3.4Å; L811-L813 VanDerWaalsContact C-N 3.25Å; L811-L813 PolarHBondContact O-N 3.28Å; L813-G816 PolarHBondContact O-N 3.14Å; L813-Y817 PolarHBondContact O-N 3.37Å; L813-A845 HydrophobicContact CD1-CB 4.33Å; L813-V846 HydrophobicContact CD1-CG2 3.66Å; L813-I853 HydrophobicContact CB-CD1 4.03Å; L813-T893 HydrophobicContact CB-CG2 4.09Å; L813-T893 HydrophobicContact CD2-CG2 3.85Å; L813-T893 WeakPolarHBondContact CD2-O 3.3Å; L813-T897 HydrophobicContact CD2-CG2 3.93Å; L813-L901 HydrophobicContact CD2-CD1 4.23Å; L813-L901 HydrophobicContact CG-CD1 4.07Å |
| 814 | V | 89.1 | Confident | 83.3 | Confident | 3 Ų | 3 | 14.5 Ų | 14.5 | 2% | 0.018 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -65.8 | -39.6 | 177.3 | 170.2 | 0 | 0 | 0 | 0 | 111.6 | T760 L765 V769 C810 L811 Y817 L818 L901 | T760-V814 HydrophobicContact CG2-CG1 4.3Å; L765-V814 HydrophobicContact CB-CG1 4.5Å; L765-V814 HydrophobicContact CD2-CG1 4.47Å; V769-V814 HydrophobicContact CG2-CG2 3.62Å; C810-V814 WeakPolarHBondContact O-CG2 3.29Å; C810-V814 PolarHBondContact O-N 2.92Å; L811-V814 PolarHBondContact O-N 2.87Å; V814-Y817 WeakPolarHBondContact O-CB 3.32Å; V814-Y817 PolarHBondContact O-N 2.92Å; V814-L818 PolarHBondContact O-N 3.38Å; V814-L901 HydrophobicContact CG2-CD1 4.38Å; V814-L901 HydrophobicContact CG2-CD2 4.28Å |
| 815 | E | 85.4 | Confident | 82.4 | Confident | 10 Ų | 10 | 18.5 Ų | 18.5 | 5% | 0.047 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -65.2 | -42.1 | 175.2 | -179.6 | 61.7 | -170.3 | 0 | 0 | 111 | R132 A133 L811 Y817 L818 L819 | R132-E815 IonicContact CZ-OE1 2.82Å; R132-E815 IonicContact CZ-OE2 3.73Å; R132-E815 IonicContact NE-OE1 2.72Å; R132-E815 PolarHBondContact NE-OE1 2.64Å; R132-E815 IonicContact NE-OE2 2.77Å; R132-E815 IonicContact NH2-OE1 2.77Å; R132-E815 PolarHBondContact NH2-OE1 3.22Å; R132-E815 IonicContact NH2-OE2 3.49Å; R132-E815 PolarHBondContact NH2-OE2 2.83Å; A133-E815 HydrophobicContact CB-CG 4.05Å; L811-E815 VanDerWaalsContact O-CB 3.28Å; L811-E815 WeakPolarHBondContact O-CB 3.47Å; L811-E815 PolarHBondContact O-N 3.46Å; E815-Y817 VanDerWaalsContact C-N 3.26Å; E815-Y817 PolarHBondContact O-N 3.29Å; E815-L818 PolarHBondContact O-N 3.08Å; E815-L818 VanDerWaalsContact O-N 3.15Å; E815-L819 HydrophobicContact CG-CD1 4.18Å; E815-L819 VanDerWaalsContact O-CG 3.29Å; E815-L819 WeakPolarHBondContact O-CG 3.46Å; E815-L819 PolarHBondContact O-N 3.48Å |
| 816 | G | 85.8 | Confident | 81.2 | Confident | 3 Ų | 3 | 24.1 Ų | 24.1 | 3% | 0.031 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -56.3 | -39.4 | 169.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | H812 L813 L819 A820 A845 | H812-G816 PolarHBondContact O-N 2.81Å; L813-G816 PolarHBondContact O-N 3.14Å; G816-L819 PolarHBondContact O-N 3.49Å; G816-A820 WeakPolarHBondContact O-CB 3.31Å; G816-A820 PolarHBondContact O-N 3.1Å; G816-A845 VanDerWaalsContact C-CB 3.49Å |
| 817 | Y | 87.9 | Confident | 79.9 | Confident | 3 Ų | 3 | 30.3 Ų | 30.3 | 1% | 0.012 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -65.7 | -41.1 | 175.6 | -176.3 | -87 | 0 | 0 | 0 | 112.6 | L765 L813 V814 E815 G821 R841 T842 L901 A905 P906 | L765-Y817 HydrophobicContact CD2-CD1 4.21Å; L765-Y817 HydrophobicContact CD2-CE1 4.39Å; L813-Y817 PolarHBondContact O-N 3.37Å; V814-Y817 WeakPolarHBondContact O-CB 3.32Å; V814-Y817 PolarHBondContact O-N 2.92Å; E815-Y817 VanDerWaalsContact C-N 3.26Å; E815-Y817 PolarHBondContact O-N 3.29Å; Y817-G821 PolarHBondContact O-N 3.35Å; Y817-R841 HydrophobicContact CD2-CB 3.97Å; Y817-R841 HydrophobicContact CE2-CB 3.51Å; Y817-T842 WeakPolarHBondContact CE2-OG1 3.4Å; Y817-L901 HydrophobicContact CD2-CB 4.49Å; Y817-A905 HydrophobicContact CD1-CB 4.45Å; Y817-A905 HydrophobicContact CE1-CB 3.68Å; Y817-A905 HydrophobicContact CE2-CB 4.18Å; Y817-A905 WeakPolarHBondContact OH-CB 3.38Å; Y817-P906 PolarHBondContact OH-O 3.04Å |
| 818 | L | 86 | Confident | 78.1 | Confident | 10 Ų | 10 | 36.4 Ų | 36.4 | 5% | 0.052 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -64.6 | -43.5 | 175.5 | -72.9 | 174.1 | 0 | 0 | 0 | 111.5 | L765 V814 E815 G821 E822 F909 | L765-L818 HydrophobicContact CD1-CD2 3.64Å; L765-L818 HydrophobicContact CD1-CG 4.28Å; V814-L818 PolarHBondContact O-N 3.38Å; E815-L818 PolarHBondContact O-N 3.08Å; E815-L818 VanDerWaalsContact O-N 3.15Å; L818-G821 WeakPolarHBondContact O-CA 3.49Å; L818-G821 PolarHBondContact O-N 3.4Å; L818-G821 VanDerWaalsContact O-N 3.13Å; L818-E822 PolarHBondContact O-N 3.15Å; L818-E822 VanDerWaalsContact O-N 3.15Å; L818-F909 HydrophobicContact CD2-CD1 4.01Å; L818-F909 HydrophobicContact CD2-CE1 4.33Å |
| 819 | L | 81 | Confident | 76.7 | Confident | 18 Ų | 18 | 39 Ų | 39 | 9% | 0.094 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -63.7 | -44.4 | 177.8 | -69.6 | 163 | 0 | 0 | 0 | 112.1 | T129 E815 G816 G821 E822 T823 | T129-L819 HydrophobicContact CG2-CD1 3.48Å; T129-L819 VanDerWaalsContact CG2-CD1 3.48Å; T129-L819 HydrophobicContact CG2-CD2 3.95Å; T129-L819 HydrophobicContact CG2-CG 4.37Å; E815-L819 HydrophobicContact CG-CD1 4.18Å; E815-L819 VanDerWaalsContact O-CG 3.29Å; E815-L819 WeakPolarHBondContact O-CG 3.46Å; E815-L819 PolarHBondContact O-N 3.48Å; G816-L819 PolarHBondContact O-N 3.49Å; L819-G821 PolarHBondContact O-N 3.26Å; L819-E822 PolarHBondContact O-N 2.67Å; L819-T823 PolarHBondContact O-N 3.28Å; L819-T823 VanDerWaalsContact O-N 3.13Å; L819-T823 PolarHBondContact O-OG1 2.87Å |
| 820 | A | 82.6 | Confident | 74.9 | Confident | 15 Ų | 15 | 46.6 Ų | 46.6 | 12% | 0.124 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -58.1 | -31.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112 | G816 A824 E844 | G816-A820 WeakPolarHBondContact O-CB 3.31Å; G816-A820 PolarHBondContact O-N 3.1Å; A820-A824 VanDerWaalsContact O-CB 3.29Å; A820-A824 WeakPolarHBondContact O-CB 3.48Å; A820-A824 PolarHBondContact O-N 2.86Å; A820-A824 VanDerWaalsContact O-N 3.16Å; A820-E844 HydrophobicContact CB-CB 4.21Å; A820-E844 HydrophobicContact CB-CG 4.33Å |
| 821 | G | 79.8 | Confident | 73.3 | Confident | 2 Ų | 2 | 54.3 Ų | 54.3 | 2% | 0.021 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -70 | -37.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | Y817 L818 L819 S825 | Y817-G821 PolarHBondContact O-N 3.35Å; L818-G821 WeakPolarHBondContact O-CA 3.49Å; L818-G821 PolarHBondContact O-N 3.4Å; L818-G821 VanDerWaalsContact O-N 3.13Å; L819-G821 PolarHBondContact O-N 3.26Å; G821-S825 PolarHBondContact O-N 2.84Å; G821-S825 VanDerWaalsContact O-N 3.16Å |
| 822 | E | 74.9 | Confident | 72.2 | Confident | 61 Ų | 61 | 55.8 Ų | 55.8 | 29% | 0.285 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -66.8 | -46.9 | 176.5 | -70.9 | -179.9 | -165.5 | 0 | 0 | 110.8 | L818 L819 A824 S825 | L818-E822 PolarHBondContact O-N 3.15Å; L818-E822 VanDerWaalsContact O-N 3.15Å; L819-E822 PolarHBondContact O-N 2.67Å; E822-A824 PolarHBondContact O-N 3.49Å; E822-S825 PolarHBondContact O-N 3.33Å; E822-S825 PolarHBondContact O-OG 3.45Å |
| 823 | T | 70 | Confident | 71.9 | Confident | 85 Ų | 85 | 61.9 Ų | 61.9 | 52% | 0.521 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -63.6 | -40.6 | 177.9 | -43.7 | 0 | 0 | 0 | 0 | 112.1 | L819 S825 L826 | L819-T823 PolarHBondContact O-N 3.28Å; L819-T823 VanDerWaalsContact O-N 3.13Å; L819-T823 PolarHBondContact O-OG1 2.87Å; T823-S825 VanDerWaalsContact C-N 3.31Å; T823-S825 PolarHBondContact O-N 2.95Å; T823-L826 PolarHBondContact O-N 3.02Å |
| 824 | A | 67 | Low | 71.4 | Confident | 22 Ų | 22 | 65.6 Ų | 65.6 | 18% | 0.182 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -69.3 | -25.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | A820 E822 L826 L827 | A820-A824 VanDerWaalsContact O-CB 3.29Å; A820-A824 WeakPolarHBondContact O-CB 3.48Å; A820-A824 PolarHBondContact O-N 2.86Å; A820-A824 VanDerWaalsContact O-N 3.16Å; E822-A824 PolarHBondContact O-N 3.49Å; A824-L826 PolarHBondContact O-N 3.16Å; A824-L827 PolarHBondContact O-N 3.04Å |
| 825 | S | 59.7 | Low | 71.1 | Confident | 84 Ų | 84 | 67 Ų | 67 | 59% | 0.587 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -71.8 | -15.7 | 178.3 | 71 | 0 | 0 | 0 | 0 | 114.1 | G821 E822 T823 | G821-S825 PolarHBondContact O-N 2.84Å; G821-S825 VanDerWaalsContact O-N 3.16Å; E822-S825 PolarHBondContact O-N 3.33Å; E822-S825 PolarHBondContact O-OG 3.45Å; T823-S825 VanDerWaalsContact C-N 3.31Å; T823-S825 PolarHBondContact O-N 2.95Å |
| 826 | L | 58.7 | Low | 71.1 | Confident | 145 Ų | 145 | 68.6 Ų | 68.6 | 76% | 0.759 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.8 | -13 | 178.2 | -67.5 | 164 | 0 | 0 | 0 | 113.2 | T823 A824 | T823-L826 PolarHBondContact O-N 3.02Å; A824-L826 PolarHBondContact O-N 3.16Å |
| 827 | L | 59 | Low | 71 | Confident | 131 Ų | 131 | 69.4 Ų | 69.4 | 69% | 0.686 | 41% | 0.411 | S | S | * | . | S | Bend | trans | -92.6 | 116.7 | 176.3 | -79.9 | 156.8 | 0 | 0 | 0 | 110.1 | A824 | A824-L827 PolarHBondContact O-N 3.04Š|
| 828 | P | 45.4 | Very low | 71 | Confident | 128 Ų | 128 | 72.1 Ų | 72.1 | 83% | 0.831 | 42% | 0.421 | S | S | * | . | trans | -75.8 | 128.2 | 176.6 | 4.4 | 10.4 | 0 | 0 | 0 | 110.2 | ||||
| 829 | G | 56.6 | Low | 71.1 | Confident | 68 Ų | 68 | 74.2 Ų | 74.2 | 70% | 0.701 | 43% | 0.431 | S | S | * | . | trans | 96.1 | 94.1 | 160.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 830 | H | 50.4 | Low | 71.4 | Confident | 169 Ų | 169 | 79.6 Ų | 79.6 | 78% | 0.782 | 45% | 0.45 | S | S | * | . | -164.8 | 127.1 | 126.8 | -112.4 | -70.3 | 0 | 0 | 0 | 108.9 | S832 | H830-S832 PolarHBondContact O-N 3.14Å; H830-S832 PolarHBondContact O-OG 3.42Å | |||
| 831 | N | 56.4 | Low | 71.6 | Confident | 162 Ų | 162 | 79.8 Ų | 79.8 | 87% | 0.866 | 45% | 0.447 | S | S | * | . | trans | -73 | 58.8 | 172 | -73.5 | -27.5 | 0 | 0 | 0 | 110.5 | ||||
| 832 | S | 64.3 | Low | 72.1 | Confident | 43 Ų | 43 | 79.7 Ų | 79.7 | 30% | 0.301 | 45% | 0.447 | S | S | . | . | trans | -71.5 | 144.5 | 177 | -38.3 | 0 | 0 | 0 | 0 | 110.1 | H830 | H830-S832 PolarHBondContact O-N 3.14Å; H830-S832 PolarHBondContact O-OG 3.42Å | ||
| 833 | E | 79.8 | Confident | 72.7 | Confident | 138 Ų | 138 | 79 Ų | 79 | 65% | 0.645 | 45% | 0.445 | S | S | * | . | trans | -52.3 | 139.5 | 170.4 | -79.3 | -136.1 | 159.2 | 0 | 0 | 111.3 | S835 A836 E837 | E833-S835 PolarHBondContact O-N 3.07Å; E833-S835 VanDerWaalsContact O-N 3.07Å; E833-S835 PolarHBondContact OE2-OG 3.25Å; E833-A836 HydrophobicContact CB-CB 4.39Å; E833-A836 PolarHBondContact O-N 3.28Å; E833-E837 PolarHBondContact O-N 2.93Å | ||
| 834 | P | 80.3 | Confident | 73.5 | Confident | 77 Ų | 77 | 79.5 Ų | 79.5 | 50% | 0.5 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -60.2 | -24.9 | -179.9 | 24.4 | -33.5 | 0 | 0 | 0 | 112.4 | R838 A907 | P834-R838 WeakPolarHBondContact O-CG 3.25Å; P834-R838 PolarHBondContact O-N 3.1Å; P834-A907 HydrophobicContact CB-CB 4.1Å |
| 835 | S | 82.2 | Confident | 74.5 | Confident | 32 Ų | 32 | 78.5 Ų | 78.5 | 22% | 0.224 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -70.2 | -41.9 | 175.7 | 68.6 | 0 | 0 | 0 | 0 | 112.7 | E833 Q839 | E833-S835 PolarHBondContact O-N 3.07Å; E833-S835 VanDerWaalsContact O-N 3.07Å; E833-S835 PolarHBondContact OE2-OG 3.25Å; S835-Q839 VanDerWaalsContact O-CG 3.31Å; S835-Q839 WeakPolarHBondContact O-CG 3.31Å; S835-Q839 PolarHBondContact O-N 3.5Å |
| 836 | A | 84.6 | Confident | 75.9 | Confident | 45 Ų | 45 | 74.6 Ų | 74.6 | 37% | 0.372 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -72.4 | -37.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | E833 R838 Q839 R840 | E833-A836 HydrophobicContact CB-CB 4.39Å; E833-A836 PolarHBondContact O-N 3.28Å; A836-R838 PolarHBondContact O-N 2.83Å; A836-Q839 PolarHBondContact O-N 3Å; A836-R840 WeakPolarHBondContact O-CB 3.29Å; A836-R840 PolarHBondContact O-N 3.14Å |
| 837 | E | 85.3 | Confident | 77.1 | Confident | 19 Ų | 19 | 69 Ų | 69 | 9% | 0.089 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -63.2 | -41.5 | 176.5 | -175.9 | 57.3 | -156.9 | 0 | 0 | 111.9 | E833 Q839 R840 R841 | E833-E837 PolarHBondContact O-N 2.93Å; E837-Q839 PolarHBondContact O-N 3.25Å; E837-R840 VanDerWaalsContact CD-NH2 3.26Å; E837-R840 PolarHBondContact O-N 2.96Å; E837-R840 IonicContact OE1-CZ 3.81Å; E837-R840 IonicContact OE1-NE 2.85Å; E837-R840 IonicContact OE1-NH2 3.77Å; E837-R840 PolarHBondContact OE1-NH2 2.06Å; E837-R840 IonicContact OE2-CZ 3.28Å; E837-R840 VanDerWaalsContact OE2-CZ 3.28Å; E837-R840 IonicContact OE2-NE 3.22Å; E837-R840 PolarHBondContact OE2-NE 2.8Å; E837-R840 IonicContact OE2-NH2 2.7Å; E837-R840 PolarHBondContact OE2-NH2 3.15Å; E837-R841 WeakPolarHBondContact O-CG 3.42Å; E837-R841 PolarHBondContact O-N 2.83Å; E837-R841 IonicContact OE1-CZ 3.89Å; E837-R841 IonicContact OE1-NE 3.75Å; E837-R841 PolarHBondContact OE1-NE 3.29Å; E837-R841 IonicContact OE1-NH2 2.99Å |
| 838 | R | 87.4 | Confident | 78 | Confident | 60 Ų | 60 | 65 Ų | 65 | 23% | 0.226 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -60.6 | -45.8 | 174.5 | -71.4 | -176.1 | -61.1 | -122.7 | 1.5 | 111.9 | P834 A836 R841 T842 A902 A905 A907 | P834-R838 WeakPolarHBondContact O-CG 3.25Å; P834-R838 PolarHBondContact O-N 3.1Å; A836-R838 PolarHBondContact O-N 2.83Å; R838-R841 PolarHBondContact O-N 3.09Å; R838-T842 PolarHBondContact O-N 3.41Å; R838-T842 PolarHBondContact O-OG1 3.26Å; R838-A902 PolarHBondContact NE-O 2.74Å; R838-A905 WeakPolarHBondContact CD-O 3.39Å; R838-A907 HydrophobicContact CG-CB 3.93Å |
| 839 | Q | 88.2 | Confident | 79.9 | Confident | 54 Ų | 54 | 59.7 Ų | 59.7 | 25% | 0.252 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -62.1 | -44.3 | -180 | -69.3 | 171.3 | 20.7 | 0 | 0 | 111.6 | V277 S835 A836 E837 T842 L843 A902 | V277-Q839 HydrophobicContact CG1-CB 3.65Å; V277-Q839 HydrophobicContact CG1-CG 3.59Å; S835-Q839 VanDerWaalsContact O-CG 3.31Å; S835-Q839 WeakPolarHBondContact O-CG 3.31Å; S835-Q839 PolarHBondContact O-N 3.5Å; A836-Q839 PolarHBondContact O-N 3Å; E837-Q839 PolarHBondContact O-N 3.25Å; Q839-T842 PolarHBondContact O-N 3.46Å; Q839-L843 WeakPolarHBondContact O-CB 3.43Å; Q839-L843 PolarHBondContact O-N 3.22Å; Q839-A902 HydrophobicContact CG-CB 4.31Å |
| 840 | R | 86.6 | Confident | 81.3 | Confident | 132 Ų | 132 | 56.5 Ų | 56.5 | 50% | 0.498 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -60.3 | -48.2 | 176.6 | -174.4 | 179.5 | 70.5 | 149.3 | 4.1 | 111.4 | A836 E837 T842 L843 E844 | A836-R840 WeakPolarHBondContact O-CB 3.29Å; A836-R840 PolarHBondContact O-N 3.14Å; E837-R840 VanDerWaalsContact CD-NH2 3.26Å; E837-R840 PolarHBondContact O-N 2.96Å; E837-R840 IonicContact OE1-CZ 3.81Å; E837-R840 IonicContact OE1-NE 2.85Å; E837-R840 IonicContact OE1-NH2 3.77Å; E837-R840 PolarHBondContact OE1-NH2 2.06Å; E837-R840 IonicContact OE2-CZ 3.28Å; E837-R840 VanDerWaalsContact OE2-CZ 3.28Å; E837-R840 IonicContact OE2-NE 3.22Å; E837-R840 PolarHBondContact OE2-NE 2.8Å; E837-R840 IonicContact OE2-NH2 2.7Å; E837-R840 PolarHBondContact OE2-NH2 3.15Å; R840-T842 PolarHBondContact O-N 2.86Å; R840-L843 PolarHBondContact O-N 2.91Å; R840-E844 WeakPolarHBondContact O-CB 3.29Å; R840-E844 PolarHBondContact O-N 3.43Å |
| 841 | R | 87.9 | Confident | 82.8 | Confident | 18 Ų | 18 | 48.8 Ų | 48.8 | 7% | 0.068 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -61.4 | -42.2 | 177.9 | -72.3 | 177.2 | -177.8 | -143.5 | -6.8 | 112.4 | Y817 E837 R838 E844 A845 A907 | Y817-R841 HydrophobicContact CD2-CB 3.97Å; Y817-R841 HydrophobicContact CE2-CB 3.51Å; E837-R841 WeakPolarHBondContact O-CG 3.42Å; E837-R841 PolarHBondContact O-N 2.83Å; E837-R841 IonicContact OE1-CZ 3.89Å; E837-R841 IonicContact OE1-NE 3.75Å; E837-R841 PolarHBondContact OE1-NE 3.29Å; E837-R841 IonicContact OE1-NH2 2.99Å; R838-R841 PolarHBondContact O-N 3.09Å; R841-E844 PolarHBondContact O-N 2.68Å; R841-A845 VanDerWaalsContact O-CB 3.31Å; R841-A845 WeakPolarHBondContact O-CB 3.31Å; R841-A845 PolarHBondContact O-N 3.16Å; R841-A907 PolarHBondContact NE-O 3.14Å; R841-A907 PolarHBondContact NH1-O 3.47Å; R841-A907 VanDerWaalsContact NH1-O 3.16Å; R841-A907 PolarHBondContact NH2-O 3.29Å |
| 842 | T | 89.5 | Confident | 84.2 | Confident | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -62.6 | -44.8 | 175.2 | -59.8 | 0 | 0 | 0 | 0 | 111.5 | V277 Y817 R838 Q839 R840 E844 A845 V846 S898 L901 A902 | V277-T842 HydrophobicContact CG2-CG2 4.04Å; Y817-T842 WeakPolarHBondContact CE2-OG1 3.4Å; R838-T842 PolarHBondContact O-N 3.41Å; R838-T842 PolarHBondContact O-OG1 3.26Å; Q839-T842 PolarHBondContact O-N 3.46Å; R840-T842 PolarHBondContact O-N 2.86Å; T842-E844 VanDerWaalsContact C-N 3.32Å; T842-E844 PolarHBondContact O-N 3.21Å; T842-A845 PolarHBondContact O-N 3.06Å; T842-V846 WeakPolarHBondContact O-CG2 3.28Å; T842-V846 PolarHBondContact O-N 3.2Å; T842-S898 WeakPolarHBondContact CG2-O 3.47Å; T842-L901 HydrophobicContact CG2-CB 4.43Å; T842-A902 PolarHBondContact OG1-N 3.02Å |
| 843 | L | 88.4 | Confident | 85.3 | Confident | 48 Ų | 48 | 39.4 Ų | 39.4 | 25% | 0.251 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -61.8 | -42.9 | 178.8 | -174 | 67 | 0 | 0 | 0 | 111.2 | K269 A273 E274 Q839 R840 V846 N847 | K269-L843 HydrophobicContact CG-CD1 4.43Å; A273-L843 HydrophobicContact CB-CD1 3.64Å; E274-L843 HydrophobicContact CG-CD1 4.14Å; Q839-L843 WeakPolarHBondContact O-CB 3.43Å; Q839-L843 PolarHBondContact O-N 3.22Å; R840-L843 PolarHBondContact O-N 2.91Å; L843-V846 PolarHBondContact O-N 3.46Å; L843-N847 WeakPolarHBondContact O-CB 3.05Å; L843-N847 PolarHBondContact O-N 3.33Å |
| 844 | E | 85.6 | Confident | 85.7 | Confident | 95 Ų | 95 | 33.9 Ų | 33.9 | 44% | 0.444 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -67 | -39.8 | 177.9 | -165 | 57.4 | -148.2 | 0 | 0 | 112 | A820 R840 R841 T842 V846 N847 H848 | A820-E844 HydrophobicContact CB-CB 4.21Å; A820-E844 HydrophobicContact CB-CG 4.33Å; R840-E844 WeakPolarHBondContact O-CB 3.29Å; R840-E844 PolarHBondContact O-N 3.43Å; R841-E844 PolarHBondContact O-N 2.68Å; T842-E844 VanDerWaalsContact C-N 3.32Å; T842-E844 PolarHBondContact O-N 3.21Å; E844-V846 PolarHBondContact O-N 3.34Å; E844-N847 PolarHBondContact O-N 3.13Å; E844-H848 WeakPolarHBondContact O-CB 3.34Å; E844-H848 PolarHBondContact O-N 3.45Å |
| 845 | A | 87.9 | Confident | 85.9 | Confident | 1 Ų | 1 | 30.5 Ų | 30.5 | 1% | 0.008 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -60.4 | -45.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | L813 G816 R841 T842 N847 V849 | L813-A845 HydrophobicContact CD1-CB 4.33Å; G816-A845 VanDerWaalsContact C-CB 3.49Å; R841-A845 VanDerWaalsContact O-CB 3.31Å; R841-A845 WeakPolarHBondContact O-CB 3.31Å; R841-A845 PolarHBondContact O-N 3.16Å; T842-A845 PolarHBondContact O-N 3.06Å; A845-N847 VanDerWaalsContact C-N 3.35Å; A845-V849 WeakPolarHBondContact O-CB 3.48Å; A845-V849 PolarHBondContact O-N 3.15Å |
| 846 | V | 88.6 | Confident | 86.1 | Confident | 2 Ų | 2 | 29 Ų | 29 | 1% | 0.012 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -67.4 | -37.3 | 176.6 | 178.2 | 0 | 0 | 0 | 0 | 111 | A273 L813 T842 L843 E844 G850 L894 | A273-V846 HydrophobicContact CB-CB 4.07Å; A273-V846 HydrophobicContact CB-CG1 3.69Å; L813-V846 HydrophobicContact CD1-CG2 3.66Å; T842-V846 WeakPolarHBondContact O-CG2 3.28Å; T842-V846 PolarHBondContact O-N 3.2Å; L843-V846 PolarHBondContact O-N 3.46Å; E844-V846 PolarHBondContact O-N 3.34Å; V846-G850 WeakPolarHBondContact O-CA 3.33Å; V846-G850 PolarHBondContact O-N 3.36Å; V846-L894 HydrophobicContact CG1-CD2 4.48Å |
| 847 | N | 84.1 | Confident | 86.3 | Confident | 26 Ų | 26 | 27.1 Ų | 27.1 | 14% | 0.139 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -66.3 | -41.7 | 178.5 | -171.7 | 34.5 | 0 | 0 | 0 | 112.1 | Q265 L843 E844 A845 | Q265-N847 WeakPolarHBondContact CG-OD1 3.5Å; Q265-N847 PolarHBondContact NE2-OD1 3.13Å; L843-N847 WeakPolarHBondContact O-CB 3.05Å; L843-N847 PolarHBondContact O-N 3.33Å; E844-N847 PolarHBondContact O-N 3.13Å; A845-N847 VanDerWaalsContact C-N 3.35Å |
| 848 | H | 79.2 | Confident | 86.4 | Confident | 49 Ų | 49 | 29.3 Ų | 29.3 | 23% | 0.227 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -78.9 | -46.7 | -178.5 | -169.8 | -83.5 | 0 | 0 | 0 | 112.2 | Q112 E844 | Q112-H848 PolarHBondContact NE2-O 3.22Å; Q112-H848 PolarHBondContact OE1-CE1 3.23Å; Q112-H848 PolarHBondContact OE1-ND1 2.96Å; Q112-H848 PolarHBondContact OE1-NE2 3.45Å; Q112-H848 PolarHBondContact OE1-O 3.39Å; E844-H848 WeakPolarHBondContact O-CB 3.34Å; E844-H848 PolarHBondContact O-N 3.45Å |
| 849 | V | 84.3 | Confident | 86.5 | Confident | 16 Ų | 16 | 26.5 Ų | 26.5 | 10% | 0.097 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -101.3 | -18 | -172 | -171.2 | 0 | 0 | 0 | 0 | 113.1 | H812 A845 V851 A852 I853 | H812-V849 HydrophobicContact CB-CG1 3.95Å; A845-V849 WeakPolarHBondContact O-CB 3.48Å; A845-V849 PolarHBondContact O-N 3.15Å; V849-V851 VanDerWaalsContact C-N 3.34Å; V849-V851 PolarHBondContact O-N 2.96Å; V849-A852 WeakPolarHBondContact O-CB 3.47Å; V849-A852 PolarHBondContact O-N 3.37Å; V849-A852 VanDerWaalsContact O-N 3.1Å; V849-I853 HydrophobicContact CG1-CD1 3.96Å; V849-I853 HydrophobicContact CG1-CG1 4.13Å; V849-I853 WeakPolarHBondContact O-CG1 3.3Å; V849-I853 PolarHBondContact O-N 3.5Å; V849-I853 VanDerWaalsContact O-N 3.07Å |
| 850 | G | 85.3 | Confident | 86.5 | Confident | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -62.8 | -33.6 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | V846 A852 I853 V854 | V846-G850 WeakPolarHBondContact O-CA 3.33Å; V846-G850 PolarHBondContact O-N 3.36Å; G850-A852 VanDerWaalsContact C-N 3.34Å; G850-I853 PolarHBondContact O-N 3.42Å; G850-V854 WeakPolarHBondContact O-CG2 3.4Å; G850-V854 PolarHBondContact O-N 2.96Å |
| 851 | V | 83.4 | Confident | 86.5 | Confident | 7 Ų | 7 | 20.2 Ų | 20.2 | 4% | 0.042 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -64.4 | -40.9 | 175.2 | 177.7 | 0 | 0 | 0 | 0 | 110.9 | L264 Q265 L268 V849 S855 | L264-V851 HydrophobicContact CD2-CG1 4.22Å; Q265-V851 HydrophobicContact CB-CG2 3.85Å; Q265-V851 HydrophobicContact CG-CG2 4.28Å; L268-V851 HydrophobicContact CD1-CG2 3.97Å; V849-V851 VanDerWaalsContact C-N 3.34Å; V849-V851 PolarHBondContact O-N 2.96Å; V851-S855 WeakPolarHBondContact O-CB 3.3Å; V851-S855 PolarHBondContact O-N 3.49Å |
| 852 | A | 84.3 | Confident | 86.5 | Confident | 7 Ų | 7 | 22.1 Ų | 22.1 | 6% | 0.058 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -61.2 | -48.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | V849 G850 S855 S856 | V849-A852 WeakPolarHBondContact O-CB 3.47Å; V849-A852 PolarHBondContact O-N 3.37Å; V849-A852 VanDerWaalsContact O-N 3.1Å; G850-A852 VanDerWaalsContact C-N 3.34Å; A852-S855 PolarHBondContact O-N 3.24Å; A852-S856 VanDerWaalsContact O-CB 3.29Å; A852-S856 WeakPolarHBondContact O-CB 3.23Å; A852-S856 PolarHBondContact O-N 2.81Å |
| 853 | I | 88.3 | Confident | 86.4 | Confident | 1 Ų | 1 | 22.2 Ų | 22.2 | 1% | 0.005 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -60.9 | -47.9 | -179.8 | -67.1 | 167.1 | 0 | 0 | 0 | 112.1 | Y809 H812 L813 V849 G850 S856 A857 I890 | Y809-I853 HydrophobicContact CD1-CG2 3.89Å; Y809-I853 HydrophobicContact CG-CG2 4.36Å; H812-I853 HydrophobicContact CB-CD1 4.07Å; H812-I853 HydrophobicContact CB-CG1 3.95Å; L813-I853 HydrophobicContact CB-CD1 4.03Å; V849-I853 HydrophobicContact CG1-CD1 3.96Å; V849-I853 HydrophobicContact CG1-CG1 4.13Å; V849-I853 WeakPolarHBondContact O-CG1 3.3Å; V849-I853 PolarHBondContact O-N 3.5Å; V849-I853 VanDerWaalsContact O-N 3.07Å; G850-I853 PolarHBondContact O-N 3.42Å; I853-S856 PolarHBondContact O-N 2.84Å; I853-A857 WeakPolarHBondContact O-CB 3.4Å; I853-A857 PolarHBondContact O-N 2.88Å; I853-I890 HydrophobicContact CG2-CG1 4.35Å |
| 854 | V | 88.6 | Confident | 86.4 | Confident | 23 Ų | 23 | 20.1 Ų | 20.1 | 14% | 0.139 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -65.8 | -43.5 | -180 | 175.4 | 0 | 0 | 0 | 0 | 111.2 | L264 L268 G850 A857 V858 I890 L894 | L264-V854 HydrophobicContact CD1-CG1 4.3Å; L264-V854 HydrophobicContact CD2-CB 4.43Å; L264-V854 HydrophobicContact CD2-CG1 4.23Å; L268-V854 HydrophobicContact CD1-CG2 3.95Å; L268-V854 HydrophobicContact CD2-CG2 3.75Å; L268-V854 HydrophobicContact CG-CG2 4.24Å; G850-V854 WeakPolarHBondContact O-CG2 3.4Å; G850-V854 PolarHBondContact O-N 2.96Å; V854-A857 PolarHBondContact O-N 2.93Å; V854-V858 HydrophobicContact CG1-CG2 4.39Å; V854-V858 VanDerWaalsContact O-CG2 3.31Å; V854-V858 WeakPolarHBondContact O-CG2 3.46Å; V854-V858 PolarHBondContact O-N 3.48Å; V854-I890 HydrophobicContact CB-CD1 4.19Å; V854-I890 HydrophobicContact CG1-CD1 4.39Å; V854-I890 HydrophobicContact CG2-CD1 3.86Å; V854-L894 HydrophobicContact CG2-CD1 3.99Å |
| 855 | S | 85 | Confident | 86.6 | Confident | 5 Ų | 5 | 18.8 Ų | 18.8 | 4% | 0.035 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -62.1 | -45.1 | 178.7 | -175.7 | 0 | 0 | 0 | 0 | 111.5 | L49 F104 V851 A852 A857 V858 T859 | L49-S855 VanDerWaalsContact CD1-OG 3.31Å; L49-S855 WeakPolarHBondContact CD1-OG 3Å; L49-S855 VanDerWaalsContact CD2-OG 3.26Å; L49-S855 WeakPolarHBondContact CD2-OG 3.29Å; F104-S855 VanDerWaalsContact CE1-OG 3.25Å; F104-S855 WeakPolarHBondContact CE1-OG 3.36Å; F104-S855 WeakPolarHBondContact CZ-OG 3.4Å; V851-S855 WeakPolarHBondContact O-CB 3.3Å; V851-S855 PolarHBondContact O-N 3.49Å; A852-S855 PolarHBondContact O-N 3.24Å; S855-A857 PolarHBondContact O-N 3.37Å; S855-V858 PolarHBondContact O-N 2.93Å; S855-T859 VanDerWaalsContact O-CG2 3.29Å; S855-T859 WeakPolarHBondContact O-CG2 3.44Å; S855-T859 PolarHBondContact O-N 2.59Å |
| 856 | S | 86 | Confident | 86.7 | Confident | 1 Ų | 1 | 19.3 Ų | 19.3 | 1% | 0.007 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -54.9 | -51.2 | 172.9 | 172 | 0 | 0 | 0 | 0 | 112 | D101 A852 I853 V858 T859 T860 | D101-S856 WeakPolarHBondContact OD1-CB 3.13Å; D101-S856 PolarHBondContact OD1-OG 3.03Å; D101-S856 PolarHBondContact OD2-OG 2.83Å; A852-S856 VanDerWaalsContact O-CB 3.29Å; A852-S856 WeakPolarHBondContact O-CB 3.23Å; A852-S856 PolarHBondContact O-N 2.81Å; I853-S856 PolarHBondContact O-N 2.84Å; S856-V858 VanDerWaalsContact C-N 3.31Å; S856-V858 PolarHBondContact O-N 3.49Å; S856-T859 PolarHBondContact O-N 3.25Å; S856-T859 VanDerWaalsContact O-N 3.11Å; S856-T859 PolarHBondContact O-OG1 2.92Å; S856-T860 PolarHBondContact O-N 2.96Å; S856-T860 PolarHBondContact O-OG1 2.78Å |
| 857 | A | 88.6 | Confident | 86.7 | Confident | 6 Ų | 6 | 19.3 Ų | 19.3 | 5% | 0.05 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -61.8 | -38.4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y809 I853 V854 S855 T860 A861 T886 I890 | Y809-A857 HydrophobicContact CE1-CB 4.06Å; I853-A857 WeakPolarHBondContact O-CB 3.4Å; I853-A857 PolarHBondContact O-N 2.88Å; V854-A857 PolarHBondContact O-N 2.93Å; S855-A857 PolarHBondContact O-N 3.37Å; A857-T860 PolarHBondContact O-N 3.31Å; A857-A861 VanDerWaalsContact O-CB 3.31Å; A857-A861 WeakPolarHBondContact O-CB 3.39Å; A857-A861 PolarHBondContact O-N 3.46Å; A857-T886 HydrophobicContact CB-CG2 3.86Å; A857-T886 WeakPolarHBondContact O-CG2 3.34Å; A857-I890 HydrophobicContact CB-CB 4.21Å; A857-I890 HydrophobicContact CB-CD1 3.71Å; A857-I890 HydrophobicContact CB-CG1 4.37Å |
| 858 | V | 88.2 | Confident | 87.1 | Confident | 64 Ų | 64 | 21.5 Ų | 21.5 | 39% | 0.388 | 12% | 0.124 | S | C | . | . | H | α-helix | trans | -65.4 | -41.5 | 175.6 | 169.2 | 0 | 0 | 0 | 0 | 110.9 | V854 S855 S856 A861 I862 | V854-V858 HydrophobicContact CG1-CG2 4.39Å; V854-V858 VanDerWaalsContact O-CG2 3.31Å; V854-V858 WeakPolarHBondContact O-CG2 3.46Å; V854-V858 PolarHBondContact O-N 3.48Å; S855-V858 PolarHBondContact O-N 2.93Å; S856-V858 VanDerWaalsContact C-N 3.31Å; S856-V858 PolarHBondContact O-N 3.49Å; V858-A861 PolarHBondContact O-N 3.34Å; V858-I862 HydrophobicContact CG1-CD1 3.65Å; V858-I862 HydrophobicContact CG1-CG1 4.45Å; V858-I862 WeakPolarHBondContact O-CB 3.04Å; V858-I862 VanDerWaalsContact O-CG1 3.31Å; V858-I862 WeakPolarHBondContact O-CG1 3.38Å; V858-I862 PolarHBondContact O-N 3.07Å |
| 859 | T | 87.9 | Confident | 87.6 | Confident | 1 Ų | 1 | 25.5 Ų | 25.5 | 1% | 0.006 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -62.8 | -43.6 | 176.4 | 62.7 | 0 | 0 | 0 | 0 | 112.1 | L45 L49 V100 S855 S856 I862 S863 | L45-T859 HydrophobicContact CD2-CG2 3.51Å; L45-T859 HydrophobicContact CG-CG2 4.19Å; L49-T859 HydrophobicContact CD1-CG2 3.4Å; V100-T859 HydrophobicContact CG1-CG2 4.12Å; S855-T859 VanDerWaalsContact O-CG2 3.29Å; S855-T859 WeakPolarHBondContact O-CG2 3.44Å; S855-T859 PolarHBondContact O-N 2.59Å; S856-T859 PolarHBondContact O-N 3.25Å; S856-T859 VanDerWaalsContact O-N 3.11Å; S856-T859 PolarHBondContact O-OG1 2.92Å; T859-I862 PolarHBondContact O-N 3.09Å; T859-S863 WeakPolarHBondContact O-CB 3.22Å; T859-S863 PolarHBondContact O-N 3.22Å; T859-S863 PolarHBondContact O-OG 2.86Å |
| 860 | T | 88 | Confident | 87.9 | Confident | 18 Ų | 18 | 24.9 Ų | 24.9 | 11% | 0.11 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -67.2 | -40.3 | 177 | -59.3 | 0 | 0 | 0 | 0 | 111.9 | S856 A857 S863 T864 V882 T886 | S856-T860 PolarHBondContact O-N 2.96Å; S856-T860 PolarHBondContact O-OG1 2.78Å; A857-T860 PolarHBondContact O-N 3.31Å; T860-S863 PolarHBondContact O-N 3.22Å; T860-S863 PolarHBondContact O-OG 3.31Å; T860-T864 WeakPolarHBondContact O-CG2 3.34Å; T860-T864 PolarHBondContact O-N 3.33Å; T860-T864 PolarHBondContact O-OG1 3.46Å; T860-V882 HydrophobicContact CG2-CG1 4.18Å; T860-T886 HydrophobicContact CG2-CG2 4.34Å; T860-T886 WeakPolarHBondContact CG2-OG1 3.49Å |
| 861 | A | 88.4 | Confident | 88.1 | Confident | 37 Ų | 37 | 27 Ų | 27 | 31% | 0.306 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -63.3 | -46.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | A857 V858 S863 T864 V865 | A857-A861 VanDerWaalsContact O-CB 3.31Å; A857-A861 WeakPolarHBondContact O-CB 3.39Å; A857-A861 PolarHBondContact O-N 3.46Å; V858-A861 PolarHBondContact O-N 3.34Å; A861-S863 PolarHBondContact O-N 2.95Å; A861-T864 PolarHBondContact O-N 3.41Å; A861-T864 PolarHBondContact O-OG1 3.07Å; A861-V865 PolarHBondContact O-N 2.83Å |
| 862 | I | 87.7 | Confident | 88.4 | Confident | 57 Ų | 57 | 27.1 Ų | 27.1 | 29% | 0.292 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -65.4 | -39 | 179.6 | -70.6 | 168.9 | 0 | 0 | 0 | 111.4 | C41 L45 V858 T859 T864 V865 | C41-I862 HydrophobicContact CB-CG2 4.47Å; L45-I862 HydrophobicContact CD1-CD1 3.97Å; L45-I862 HydrophobicContact CD2-CB 4.23Å; L45-I862 HydrophobicContact CD2-CD1 3.62Å; L45-I862 HydrophobicContact CD2-CG1 4.48Å; L45-I862 HydrophobicContact CD2-CG2 4.39Å; L45-I862 HydrophobicContact CG-CD1 4.38Å; V858-I862 HydrophobicContact CG1-CD1 3.65Å; V858-I862 HydrophobicContact CG1-CG1 4.45Å; V858-I862 WeakPolarHBondContact O-CB 3.04Å; V858-I862 VanDerWaalsContact O-CG1 3.31Å; V858-I862 WeakPolarHBondContact O-CG1 3.38Å; V858-I862 PolarHBondContact O-N 3.07Å; T859-I862 PolarHBondContact O-N 3.09Å; I862-T864 PolarHBondContact O-N 3.44Å; I862-V865 PolarHBondContact O-N 3.1Å |
| 863 | S | 86.6 | Confident | 88.5 | Confident | 3 Ų | 3 | 28 Ų | 28 | 2% | 0.021 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -63 | -26.6 | 177.5 | 70.4 | 0 | 0 | 0 | 0 | 113 | S38 T859 T860 A861 | S38-S863 PolarHBondContact OG-O 3.29Å; T859-S863 WeakPolarHBondContact O-CB 3.22Å; T859-S863 PolarHBondContact O-N 3.22Å; T859-S863 PolarHBondContact O-OG 2.86Å; T860-S863 PolarHBondContact O-N 3.22Å; T860-S863 PolarHBondContact O-OG 3.31Å; A861-S863 PolarHBondContact O-N 2.95Å |
| 864 | T | 87.9 | Confident | 88.4 | Confident | 3 Ų | 3 | 28.5 Ų | 28.5 | 2% | 0.018 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -84 | -16.3 | 178.6 | 62.3 | 0 | 0 | 0 | 0 | 115 | T860 A861 I862 L867 F868 V882 A883 | T860-T864 WeakPolarHBondContact O-CG2 3.34Å; T860-T864 PolarHBondContact O-N 3.33Å; T860-T864 PolarHBondContact O-OG1 3.46Å; A861-T864 PolarHBondContact O-N 3.41Å; A861-T864 PolarHBondContact O-OG1 3.07Å; I862-T864 PolarHBondContact O-N 3.44Å; T864-L867 HydrophobicContact CG2-CD1 4.38Å; T864-L867 WeakPolarHBondContact O-CB 3.47Å; T864-L867 PolarHBondContact O-N 3.29Å; T864-L867 VanDerWaalsContact O-N 3.14Å; T864-F868 WeakPolarHBondContact O-CD1 3.1Å; T864-V882 HydrophobicContact CG2-CB 3.94Å; T864-V882 HydrophobicContact CG2-CG1 3.64Å; T864-A883 WeakPolarHBondContact OG1-CB 3.38Å |
| 865 | V | 89.9 | Confident | 88.4 | Confident | 67 Ų | 67 | 27.4 Ų | 27.4 | 41% | 0.406 | 15% | 0.152 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -45 | -177.4 | 173 | 0 | 0 | 0 | 0 | 112.4 | A861 I862 L867 F868 F869 | A861-V865 PolarHBondContact O-N 2.83Å; I862-V865 PolarHBondContact O-N 3.1Å; V865-L867 VanDerWaalsContact C-N 3.26Å; V865-L867 PolarHBondContact O-N 3.47Å; V865-F868 WeakPolarHBondContact O-CB 2.86Å; V865-F868 PolarHBondContact O-N 3.14Å; V865-F868 VanDerWaalsContact O-N 3.14Å; V865-F869 HydrophobicContact CG1-CE2 4.12Å; V865-F869 WeakPolarHBondContact O-CD2 3.07Å |
| 866 | P | 90.3 | Very high | 88.6 | Confident | 13 Ų | 13 | 27.7 Ų | 27.7 | 8% | 0.084 | 16% | 0.155 | C | C | . | . | G | 310 helix | trans | -63.6 | -29 | 178.4 | -28.2 | 41.3 | 0 | 0 | 0 | 113.9 | F93 F868 F869 | F93-P866 HydrophobicContact CE1-CB 4.48Å; P866-F868 PolarHBondContact O-N 3.34Å; P866-F869 PolarHBondContact O-N 3.17Å; P866-F869 VanDerWaalsContact O-N 3.11Å |
| 867 | L | 89.6 | Confident | 88.7 | Confident | 1 Ų | 1 | 29.6 Ų | 29.6 | 1% | 0.005 | 16% | 0.163 | C | C | . | . | G | 310 helix | trans | -61.2 | -30.9 | 176.1 | -77.7 | 137.4 | 0 | 0 | 0 | 111.7 | F93 T864 V865 F869 C870 F875 A876 | F93-L867 HydrophobicContact CB-CD1 3.57Å; F93-L867 HydrophobicContact CB-CD2 4.14Å; F93-L867 HydrophobicContact CB-CG 3.94Å; F93-L867 HydrophobicContact CD1-CD1 4.26Å; F93-L867 HydrophobicContact CD1-CD2 4.38Å; F93-L867 HydrophobicContact CD1-CG 3.87Å; F93-L867 HydrophobicContact CD2-CD2 3.85Å; F93-L867 HydrophobicContact CD2-CG 4.24Å; F93-L867 HydrophobicContact CE1-CG 4.35Å; F93-L867 HydrophobicContact CE2-CD2 4.26Å; F93-L867 HydrophobicContact CG-CD1 4Å; F93-L867 HydrophobicContact CG-CD2 3.9Å; F93-L867 HydrophobicContact CG-CG 3.78Å; T864-L867 HydrophobicContact CG2-CD1 4.38Å; T864-L867 WeakPolarHBondContact O-CB 3.47Å; T864-L867 PolarHBondContact O-N 3.29Å; T864-L867 VanDerWaalsContact O-N 3.14Å; V865-L867 VanDerWaalsContact C-N 3.26Å; V865-L867 PolarHBondContact O-N 3.47Å; L867-F869 PolarHBondContact O-N 3.35Å; L867-C870 WeakPolarHBondContact O-CB 3.48Å; L867-C870 PolarHBondContact O-N 3.16Å; L867-C870 VanDerWaalsContact O-N 3.14Å; L867-F875 HydrophobicContact CD2-CB 4.12Å; L867-F875 WeakPolarHBondContact CD2-O 3.42Å; L867-A876 WeakPolarHBondContact O-CA 3.29Å; L867-A876 WeakPolarHBondContact O-CB 3.41Å |
| 868 | F | 90.7 | Very high | 88.7 | Confident | 72 Ų | 72 | 29.7 Ų | 29.7 | 32% | 0.316 | 16% | 0.162 | S | C | . | . | G | 310 helix | trans | -63.2 | -25.6 | 179.2 | -61.3 | -2.6 | 0 | 0 | 0 | 112.4 | T864 V865 P866 G879 Q880 A883 | T864-F868 WeakPolarHBondContact O-CD1 3.1Å; V865-F868 WeakPolarHBondContact O-CB 2.86Å; V865-F868 PolarHBondContact O-N 3.14Å; V865-F868 VanDerWaalsContact O-N 3.14Å; P866-F868 PolarHBondContact O-N 3.34Å; F868-G879 VanDerWaalsContact CE1-C 3.47Å; F868-Q880 HydrophobicContact CD1-CG 3.68Å; F868-Q880 VanDerWaalsContact CE1-CA 3.48Å; F868-Q880 HydrophobicContact CE1-CB 4.25Å; F868-Q880 HydrophobicContact CE1-CG 3.82Å; F868-Q880 HydrophobicContact CG-CG 4.29Å; F868-Q880 HydrophobicContact CZ-CG 4.46Å; F868-A883 HydrophobicContact CE1-CB 4.03Å; F868-A883 HydrophobicContact CZ-CB 3.59Å |
| 869 | F | 90.6 | Very high | 88.8 | Confident | 134 Ų | 134 | 26.6 Ų | 26.6 | 59% | 0.588 | 14% | 0.144 | S | C | * | . | G | 310 helix | trans | -89 | -7 | -178.6 | -62.1 | -76 | 0 | 0 | 0 | 113.4 | L34 R312 V865 P866 L867 | L34-F869 HydrophobicContact CD1-CB 4.22Å; R312-F869 PolarHBondContact NH2-O 3.41Å; V865-F869 HydrophobicContact CG1-CE2 4.12Å; V865-F869 WeakPolarHBondContact O-CD2 3.07Å; P866-F869 PolarHBondContact O-N 3.17Å; P866-F869 VanDerWaalsContact O-N 3.11Å; L867-F869 PolarHBondContact O-N 3.35Å |
| 870 | C | 90.6 | Very high | 88.9 | Confident | 2 Ų | 2 | 29.4 Ų | 29.4 | 1% | 0.014 | 16% | 0.157 | C | C | . | . | trans | -58.2 | 145.5 | 177.1 | -67.5 | 0 | 0 | 0 | 0 | 112.2 | D31 R312 L867 F875 | D31-C870 WeakPolarHBondContact OD1-CA 3.34Å; R312-C870 PolarHBondContact NH2-O 3.48Å; R312-C870 VanDerWaalsContact NH2-O 3.08Å; L867-C870 WeakPolarHBondContact O-CB 3.48Å; L867-C870 PolarHBondContact O-N 3.16Å; L867-C870 VanDerWaalsContact O-N 3.14Å; C870-F875 HydrophobicContact CB-CB 3.97Å | ||
| 871 | V | 90.5 | Very high | 89 | Confident | 45 Ų | 45 | 28.6 Ų | 28.6 | 27% | 0.273 | 15% | 0.152 | S | C | . | . | S | Bend | trans | -81.5 | -34.1 | 175.1 | 180 | 0 | 0 | 0 | 0 | 110.5 | T27 D31 R312 T315 V873 | T27-V871 HydrophobicContact CG2-CB 3.66Å; T27-V871 HydrophobicContact CG2-CG1 3.63Å; D31-V871 PolarHBondContact OD1-N 2.94Å; D31-V871 PolarHBondContact OD2-N 3.22Å; R312-V871 PolarHBondContact N-O 3.02Å; R312-V871 VanDerWaalsContact N-O 3.09Å; T315-V871 HydrophobicContact CG2-CG1 3.82Å; V871-V873 PolarHBondContact O-N 2.96Å |
| 872 | I | 89 | Confident | 89.1 | Confident | 9 Ų | 9 | 27.4 Ų | 27.4 | 5% | 0.046 | 14% | 0.141 | C | C | . | . | B | Isolated β-bridge | trans | -68.9 | 110.7 | 172.4 | -64.8 | 170 | 0 | 0 | 0 | 108.5 | T27 F28 D31 I86 F311 P874 F875 A876 | T27-I872 HydrophobicContact CG2-CG1 4.13Å; F28-I872 HydrophobicContact CB-CD1 4.08Å; F28-I872 HydrophobicContact CD2-CD1 4.01Å; D31-I872 WeakPolarHBondContact OD2-CB 3.31Å; D31-I872 VanDerWaalsContact OD2-CG1 3.28Å; D31-I872 WeakPolarHBondContact OD2-CG1 3.32Å; D31-I872 PolarHBondContact OD2-N 2.92Å; I86-I872 HydrophobicContact CG2-CD1 4.33Å; F311-I872 HydrophobicContact CD1-CG1 4.47Å; F311-I872 HydrophobicContact CE1-CG1 4.23Å; I872-P874 HydrophobicContact CG2-CB 4.42Å; I872-P874 HydrophobicContact CG2-CG 4.3Å; I872-F875 HydrophobicContact CB-CD2 4.01Å; I872-F875 HydrophobicContact CB-CE2 4.36Å; I872-F875 HydrophobicContact CB-CG 4.14Å; I872-F875 HydrophobicContact CD1-CD2 4.27Å; I872-F875 HydrophobicContact CD1-CE2 3.8Å; I872-F875 HydrophobicContact CD1-CZ 4.18Å; I872-F875 HydrophobicContact CG2-CB 4.46Å; I872-F875 HydrophobicContact CG2-CD1 3.88Å; I872-F875 HydrophobicContact CG2-CD2 4.12Å; I872-F875 HydrophobicContact CG2-CE1 4.08Å; I872-F875 HydrophobicContact CG2-CE2 4.32Å; I872-F875 HydrophobicContact CG2-CG 3.89Å; I872-F875 HydrophobicContact CG2-CZ 4.29Å; I872-F875 WeakPolarHBondContact O-CB 3.22Å; I872-F875 PolarHBondContact O-N 3.19Å; I872-F875 VanDerWaalsContact O-N 3.14Å; I872-A876 PolarHBondContact O-N 3.34Å |
| 873 | V | 86.8 | Confident | 89.2 | Confident | 25 Ų | 25 | 25.6 Ų | 25.6 | 15% | 0.152 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -62.1 | -40 | -173.7 | 170.4 | 0 | 0 | 0 | 0 | 112.4 | L309 L310 F311 V871 F875 A876 K877 | L309-V873 HydrophobicContact CB-CB 4.48Å; L309-V873 HydrophobicContact CB-CG1 4.14Å; L309-V873 HydrophobicContact CB-CG2 4.4Å; L309-V873 WeakPolarHBondContact O-CB 3.47Å; L309-V873 WeakPolarHBondContact O-CG1 3.27Å; L310-V873 PolarHBondContact O-N 3.06Å; F311-V873 WeakPolarHBondContact O-CG2 3.4Å; V871-V873 PolarHBondContact O-N 2.96Å; V873-F875 PolarHBondContact O-N 3.07Å; V873-A876 PolarHBondContact O-N 2.76Å; V873-K877 HydrophobicContact CG1-CG 3.8Å; V873-K877 WeakPolarHBondContact O-CB 3.46Å; V873-K877 WeakPolarHBondContact O-CG 3.47Å; V873-K877 PolarHBondContact O-N 2.78Å |
| 874 | P | 85.9 | Confident | 89.5 | Confident | 13 Ų | 13 | 27.4 Ų | 27.4 | 8% | 0.084 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -54.6 | -37.2 | 174.4 | -29.4 | 34.3 | 0 | 0 | 0 | 114.3 | L87 L310 V794 I872 F878 | L87-P874 HydrophobicContact CD2-CB 4.34Å; L310-P874 WeakPolarHBondContact O-CD 3.44Å; V794-P874 HydrophobicContact CG1-CB 3.95Å; V794-P874 HydrophobicContact CG2-CB 4.17Å; V794-P874 HydrophobicContact CG2-CG 4.17Å; I872-P874 HydrophobicContact CG2-CB 4.42Å; I872-P874 HydrophobicContact CG2-CG 4.3Å; P874-F878 WeakPolarHBondContact O-CB 3.45Å; P874-F878 PolarHBondContact O-N 2.97Å |
| 875 | F | 88.8 | Confident | 89.7 | Confident | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -70.5 | -45.4 | 178.3 | -65.5 | 0.6 | 0 | 0 | 0 | 111.2 | F28 M32 I86 V90 L867 C870 I872 V873 F878 G879 | F28-F875 HydrophobicContact CD2-CE2 4.1Å; F28-F875 HydrophobicContact CD2-CZ 4.11Å; F28-F875 HydrophobicContact CE2-CE2 4.11Å; F28-F875 AromaticContact CE2-CZ 3.93Å; F28-F875 HydrophobicContact CE2-CZ 3.93Å; M32-F875 HydrophobicContact CE-CD2 4.47Å; M32-F875 HydrophobicContact CE-CE2 3.8Å; I86-F875 HydrophobicContact CG2-CE1 4.23Å; I86-F875 HydrophobicContact CG2-CZ 3.88Å; I86-F875 WeakPolarHBondContact O-CE1 3.41Å; I86-F875 WeakPolarHBondContact O-CZ 3.3Å; V90-F875 HydrophobicContact CG2-CD1 3.21Å; V90-F875 HydrophobicContact CG2-CE1 3.46Å; V90-F875 VanDerWaalsContact CG2-CE1 3.46Å; V90-F875 HydrophobicContact CG2-CG 3.96Å; V90-F875 HydrophobicContact CG2-CZ 4.35Å; L867-F875 HydrophobicContact CD2-CB 4.12Å; L867-F875 WeakPolarHBondContact CD2-O 3.42Å; C870-F875 HydrophobicContact CB-CB 3.97Å; I872-F875 HydrophobicContact CB-CD2 4.01Å; I872-F875 HydrophobicContact CB-CE2 4.36Å; I872-F875 HydrophobicContact CB-CG 4.14Å; I872-F875 HydrophobicContact CD1-CD2 4.27Å; I872-F875 HydrophobicContact CD1-CE2 3.8Å; I872-F875 HydrophobicContact CD1-CZ 4.18Å; I872-F875 HydrophobicContact CG2-CB 4.46Å; I872-F875 HydrophobicContact CG2-CD1 3.88Å; I872-F875 HydrophobicContact CG2-CD2 4.12Å; I872-F875 HydrophobicContact CG2-CE1 4.08Å; I872-F875 HydrophobicContact CG2-CE2 4.32Å; I872-F875 HydrophobicContact CG2-CG 3.89Å; I872-F875 HydrophobicContact CG2-CZ 4.29Å; I872-F875 WeakPolarHBondContact O-CB 3.22Å; I872-F875 PolarHBondContact O-N 3.19Å; I872-F875 VanDerWaalsContact O-N 3.14Å; V873-F875 PolarHBondContact O-N 3.07Å; F875-F878 PolarHBondContact O-N 3.43Å; F875-G879 PolarHBondContact O-N 3.35Å |
| 876 | A | 89.4 | Confident | 89.8 | Confident | 11 Ų | 11 | 24.3 Ų | 24.3 | 9% | 0.091 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -63.5 | -43.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | L867 I872 V873 G879 Q880 | L867-A876 WeakPolarHBondContact O-CA 3.29Å; L867-A876 WeakPolarHBondContact O-CB 3.41Å; I872-A876 PolarHBondContact O-N 3.34Å; V873-A876 PolarHBondContact O-N 2.76Å; A876-G879 PolarHBondContact O-N 3.28Å; A876-Q880 VanDerWaalsContact O-CG 3.25Å; A876-Q880 WeakPolarHBondContact O-CG 3.34Å; A876-Q880 PolarHBondContact O-N 3.43Å |
| 877 | K | 87.9 | Confident | 89.8 | Confident | 40 Ų | 40 | 26.6 Ų | 26.6 | 17% | 0.174 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -63.1 | -46.8 | 176.2 | -74.4 | -69.3 | -173.4 | 174.1 | 0 | 111.7 | W789 V873 G879 Q880 I881 | W789-K877 VanDerWaalsContact CD2-NZ 3.33Å; W789-K877 HydrophobicContact CH2-CD 4.32Å; W789-K877 HydrophobicContact CZ2-CD 4.33Å; W789-K877 HydrophobicContact CZ3-CD 4.44Å; V873-K877 HydrophobicContact CG1-CG 3.8Å; V873-K877 WeakPolarHBondContact O-CB 3.46Å; V873-K877 WeakPolarHBondContact O-CG 3.47Å; V873-K877 PolarHBondContact O-N 2.78Å; K877-G879 PolarHBondContact O-N 3.24Å; K877-Q880 PolarHBondContact O-N 3.48Å; K877-I881 WeakPolarHBondContact O-CB 3.49Å; K877-I881 VanDerWaalsContact O-CG1 3.22Å; K877-I881 WeakPolarHBondContact O-CG1 3.47Å; K877-I881 PolarHBondContact O-N 2.92Å |
| 878 | F | 88.1 | Confident | 90 | Very high | 8 Ų | 8 | 27.3 Ų | 27.3 | 4% | 0.035 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -57.2 | -48.8 | 175.7 | 178 | -90.1 | 0 | 0 | 0 | 111.2 | V90 V94 I801 P874 F875 Q880 I881 V882 | V90-F878 HydrophobicContact CG1-CD1 3.34Å; V90-F878 HydrophobicContact CG1-CE1 3.39Å; V90-F878 HydrophobicContact CG1-CG 3.99Å; V90-F878 HydrophobicContact CG1-CZ 4.07Å; V94-F878 HydrophobicContact CG2-CD1 4.46Å; V94-F878 HydrophobicContact CG2-CE1 3.43Å; V94-F878 VanDerWaalsContact CG2-CE1 3.43Å; V94-F878 HydrophobicContact CG2-CZ 4.02Å; I801-F878 HydrophobicContact CB-CE2 4.44Å; I801-F878 HydrophobicContact CD1-CD2 4.48Å; I801-F878 HydrophobicContact CD1-CE2 3.74Å; I801-F878 HydrophobicContact CG2-CE2 4.1Å; I801-F878 HydrophobicContact CG2-CZ 4.28Å; P874-F878 WeakPolarHBondContact O-CB 3.45Å; P874-F878 PolarHBondContact O-N 2.97Å; F875-F878 PolarHBondContact O-N 3.43Å; F878-Q880 PolarHBondContact O-N 3.19Å; F878-I881 PolarHBondContact O-N 3.21Å; F878-V882 HydrophobicContact CD1-CG2 4.1Å; F878-V882 HydrophobicContact CE1-CG2 3.59Å; F878-V882 HydrophobicContact CE2-CG2 4.08Å; F878-V882 HydrophobicContact CZ-CG2 3.59Å; F878-V882 WeakPolarHBondContact O-CG2 3.1Å; F878-V882 PolarHBondContact O-N 2.79Å |
| 879 | G | 89.4 | Confident | 90.1 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -57.6 | -47.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | F868 F875 A876 K877 I881 V882 A883 | F868-G879 VanDerWaalsContact CE1-C 3.47Å; F875-G879 PolarHBondContact O-N 3.35Å; A876-G879 PolarHBondContact O-N 3.28Å; K877-G879 PolarHBondContact O-N 3.24Å; G879-I881 VanDerWaalsContact C-N 3.34Å; G879-I881 PolarHBondContact O-N 3.16Å; G879-V882 PolarHBondContact O-N 2.84Å; G879-A883 WeakPolarHBondContact O-CB 3.45Å; G879-A883 PolarHBondContact O-N 3.38Å |
| 880 | Q | 90.6 | Very high | 90.1 | Very high | 59 Ų | 59 | 19 Ų | 19 | 28% | 0.276 | 11% | 0.113 | S | C | . | . | H | α-helix | trans | -60.8 | -43.5 | 178.7 | -71.4 | 170.1 | 1.2 | 0 | 0 | 111.9 | W789 F868 A876 K877 F878 A883 I884 | W789-Q880 HydrophobicContact CH2-CB 3.88Å; W789-Q880 VanDerWaalsContact CH2-OE1 3.3Å; W789-Q880 VanDerWaalsContact CZ2-OE1 3.23Å; F868-Q880 HydrophobicContact CD1-CG 3.68Å; F868-Q880 VanDerWaalsContact CE1-CA 3.48Å; F868-Q880 HydrophobicContact CE1-CB 4.25Å; F868-Q880 HydrophobicContact CE1-CG 3.82Å; F868-Q880 HydrophobicContact CG-CG 4.29Å; F868-Q880 HydrophobicContact CZ-CG 4.46Å; A876-Q880 VanDerWaalsContact O-CG 3.25Å; A876-Q880 WeakPolarHBondContact O-CG 3.34Å; A876-Q880 PolarHBondContact O-N 3.43Å; K877-Q880 PolarHBondContact O-N 3.48Å; F878-Q880 PolarHBondContact O-N 3.19Å; Q880-A883 PolarHBondContact O-N 3.38Å; Q880-I884 VanDerWaalsContact O-CG1 3.27Å; Q880-I884 WeakPolarHBondContact O-CG1 3.35Å; Q880-I884 PolarHBondContact O-N 3.34Å |
| 881 | I | 90.6 | Very high | 90.1 | Very high | 1 Ų | 1 | 24 Ų | 24 | 1% | 0.005 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -63.1 | -44.6 | 178.3 | -71.8 | 170.6 | 0 | 0 | 0 | 110.5 | W789 E795 L802 K877 F878 G879 I884 N885 | W789-I881 HydrophobicContact CE3-CG1 4.48Å; W789-I881 HydrophobicContact CZ3-CD1 4.25Å; W789-I881 HydrophobicContact CZ3-CG1 3.67Å; E795-I881 HydrophobicContact CG-CD1 4.47Å; L802-I881 HydrophobicContact CD1-CG2 3.15Å; L802-I881 HydrophobicContact CD2-CG2 4.14Å; L802-I881 HydrophobicContact CG-CG2 3.81Å; K877-I881 WeakPolarHBondContact O-CB 3.49Å; K877-I881 VanDerWaalsContact O-CG1 3.22Å; K877-I881 WeakPolarHBondContact O-CG1 3.47Å; K877-I881 PolarHBondContact O-N 2.92Å; F878-I881 PolarHBondContact O-N 3.21Å; G879-I881 VanDerWaalsContact C-N 3.34Å; G879-I881 PolarHBondContact O-N 3.16Å; I881-I884 PolarHBondContact O-N 3.45Å; I881-N885 VanDerWaalsContact O-CB 3.31Å; I881-N885 WeakPolarHBondContact O-CB 3.31Å; I881-N885 PolarHBondContact O-N 3.23Å |
| 882 | V | 89.8 | Confident | 90.2 | Very high | 13 Ų | 13 | 22.6 Ų | 22.6 | 8% | 0.079 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -64.4 | -41 | 176.9 | 176.3 | 0 | 0 | 0 | 0 | 112.2 | L802 T860 T864 F878 G879 N885 T886 | L802-V882 HydrophobicContact CD2-CB 4.25Å; L802-V882 HydrophobicContact CD2-CG2 3.72Å; T860-V882 HydrophobicContact CG2-CG1 4.18Å; T864-V882 HydrophobicContact CG2-CB 3.94Å; T864-V882 HydrophobicContact CG2-CG1 3.64Å; F878-V882 HydrophobicContact CD1-CG2 4.1Å; F878-V882 HydrophobicContact CE1-CG2 3.59Å; F878-V882 HydrophobicContact CE2-CG2 4.08Å; F878-V882 HydrophobicContact CZ-CG2 3.59Å; F878-V882 WeakPolarHBondContact O-CG2 3.1Å; F878-V882 PolarHBondContact O-N 2.79Å; G879-V882 PolarHBondContact O-N 2.84Å; V882-N885 PolarHBondContact O-N 3.43Å; V882-T886 WeakPolarHBondContact O-CB 3.37Å; V882-T886 PolarHBondContact O-N 3.01Å; V882-T886 PolarHBondContact O-OG1 3.02Å |
| 883 | A | 91.3 | Very high | 90.4 | Very high | 19 Ų | 19 | 22.1 Ų | 22.1 | 16% | 0.157 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -63.7 | -46.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | T864 F868 G879 Q880 T886 A887 | T864-A883 WeakPolarHBondContact OG1-CB 3.38Å; F868-A883 HydrophobicContact CE1-CB 4.03Å; F868-A883 HydrophobicContact CZ-CB 3.59Å; G879-A883 WeakPolarHBondContact O-CB 3.45Å; G879-A883 PolarHBondContact O-N 3.38Å; Q880-A883 PolarHBondContact O-N 3.38Å; A883-T886 PolarHBondContact O-N 3.43Å; A883-A887 PolarHBondContact O-N 2.93Å |
| 884 | I | 92.2 | Very high | 90.6 | Very high | 41 Ų | 41 | 21.7 Ų | 21.7 | 21% | 0.21 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -61.2 | -46.4 | 176 | -68.4 | 165.7 | 0 | 0 | 0 | 110 | V783 L787 W789 Q880 I881 T886 A887 V888 | V783-I884 HydrophobicContact CB-CG2 4.38Å; V783-I884 HydrophobicContact CG1-CD1 4.12Å; V783-I884 HydrophobicContact CG1-CG2 4Å; L787-I884 HydrophobicContact CD1-CD1 3.99Å; W789-I884 HydrophobicContact CH2-CD1 4.48Å; Q880-I884 VanDerWaalsContact O-CG1 3.27Å; Q880-I884 WeakPolarHBondContact O-CG1 3.35Å; Q880-I884 PolarHBondContact O-N 3.34Å; I881-I884 PolarHBondContact O-N 3.45Å; I884-T886 VanDerWaalsContact C-N 3.32Å; I884-T886 PolarHBondContact O-N 3.26Å; I884-A887 PolarHBondContact O-N 3.42Å; I884-V888 HydrophobicContact CG2-CG2 4.36Å; I884-V888 WeakPolarHBondContact O-CB 3.39Å; I884-V888 WeakPolarHBondContact O-CG2 3.25Å; I884-V888 PolarHBondContact O-N 3.36Å |
| 885 | N | 91.9 | Very high | 90.8 | Very high | 1 Ų | 1 | 22.4 Ų | 22.4 | 1% | 0.005 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -60 | -43.4 | 178 | -174.4 | 49.7 | 0 | 0 | 0 | 112.2 | V776 V780 L802 S805 S806 I881 V882 A887 V888 S889 | V776-N885 VanDerWaalsContact CG1-OD1 3.29Å; V776-N885 WeakPolarHBondContact CG1-OD1 3.03Å; V780-N885 HydrophobicContact CG2-CB 4.26Å; L802-N885 HydrophobicContact CD1-CB 3.57Å; L802-N885 HydrophobicContact CD2-CB 3.64Å; L802-N885 HydrophobicContact CG-CB 4.07Å; S805-N885 PolarHBondContact OG-ND2 2.89Å; S806-N885 VanDerWaalsContact OG-CG 3.25Å; S806-N885 PolarHBondContact OG-ND2 3.11Å; S806-N885 PolarHBondContact OG-OD1 3.32Å; I881-N885 VanDerWaalsContact O-CB 3.31Å; I881-N885 WeakPolarHBondContact O-CB 3.31Å; I881-N885 PolarHBondContact O-N 3.23Å; V882-N885 PolarHBondContact O-N 3.43Å; N885-A887 PolarHBondContact O-N 2.9Å; N885-V888 PolarHBondContact O-N 3.46Å; N885-S889 WeakPolarHBondContact O-CB 3.2Å; N885-S889 PolarHBondContact O-N 3.15Å; N885-S889 PolarHBondContact O-OG 3.48Å; N885-S889 PolarHBondContact OD1-OG 3.48Å |
| 886 | T | 91.2 | Very high | 91 | Very high | 4 Ų | 4 | 22.7 Ų | 22.7 | 3% | 0.025 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -61.7 | -46.1 | 179.1 | -60.5 | 0 | 0 | 0 | 0 | 110.8 | Y809 A857 T860 V882 A883 I884 S889 I890 | Y809-T886 WeakPolarHBondContact OH-CG2 3.4Å; A857-T886 HydrophobicContact CB-CG2 3.86Å; A857-T886 WeakPolarHBondContact O-CG2 3.34Å; T860-T886 HydrophobicContact CG2-CG2 4.34Å; T860-T886 WeakPolarHBondContact CG2-OG1 3.49Å; V882-T886 WeakPolarHBondContact O-CB 3.37Å; V882-T886 PolarHBondContact O-N 3.01Å; V882-T886 PolarHBondContact O-OG1 3.02Å; A883-T886 PolarHBondContact O-N 3.43Å; I884-T886 VanDerWaalsContact C-N 3.32Å; I884-T886 PolarHBondContact O-N 3.26Å; T886-S889 PolarHBondContact O-N 3.3Å; T886-I890 WeakPolarHBondContact O-CG2 3.42Å; T886-I890 PolarHBondContact O-N 3.44Å |
| 887 | A | 91.8 | Very high | 91.1 | Very high | 61 Ų | 61 | 22.1 Ų | 22.1 | 50% | 0.504 | 13% | 0.127 | S | C | . | . | H | α-helix | trans | -64.1 | -41.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | A883 I884 N885 I890 L891 | A883-A887 PolarHBondContact O-N 2.93Å; I884-A887 PolarHBondContact O-N 3.42Å; N885-A887 PolarHBondContact O-N 2.9Å; A887-I890 VanDerWaalsContact O-CG2 3.31Å; A887-I890 WeakPolarHBondContact O-CG2 3.39Å; A887-L891 WeakPolarHBondContact O-CB 3.25Å; A887-L891 PolarHBondContact O-N 2.91Å |
| 888 | V | 92.8 | Very high | 91.2 | Very high | 15 Ų | 15 | 20.2 Ų | 20.2 | 9% | 0.091 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -69.6 | -43.9 | 176.7 | 169.9 | 0 | 0 | 0 | 0 | 111.1 | V776 L779 V780 I884 N885 L891 F892 | V776-V888 HydrophobicContact CB-CG1 4.41Å; V776-V888 HydrophobicContact CG1-CG1 4.14Å; V776-V888 HydrophobicContact CG2-CG1 4.25Å; L779-V888 HydrophobicContact CB-CG1 4.24Å; L779-V888 HydrophobicContact CD2-CG1 3.69Å; L779-V888 HydrophobicContact CD2-CG2 4.1Å; L779-V888 HydrophobicContact CG-CG1 4.19Å; L779-V888 HydrophobicContact CG-CG2 4.38Å; V780-V888 HydrophobicContact CG2-CB 4.47Å; I884-V888 HydrophobicContact CG2-CG2 4.36Å; I884-V888 WeakPolarHBondContact O-CB 3.39Å; I884-V888 WeakPolarHBondContact O-CG2 3.25Å; I884-V888 PolarHBondContact O-N 3.36Å; N885-V888 PolarHBondContact O-N 3.46Å; V888-L891 PolarHBondContact O-N 3.4Å; V888-F892 HydrophobicContact CG1-CD1 4.22Å; V888-F892 HydrophobicContact CG1-CE1 4.33Å; V888-F892 WeakPolarHBondContact O-CB 3.35Å; V888-F892 WeakPolarHBondContact O-CD1 3.42Å; V888-F892 PolarHBondContact O-N 3.44Å |
| 889 | S | 92.4 | Very high | 91.4 | Very high | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -64.9 | -42.8 | -176.7 | -59.8 | 0 | 0 | 0 | 0 | 111.7 | V776 S806 N885 T886 F892 T893 | V776-S889 WeakPolarHBondContact CG1-OG 3.26Å; S806-S889 PolarHBondContact OG-OG 3.48Å; N885-S889 WeakPolarHBondContact O-CB 3.2Å; N885-S889 PolarHBondContact O-N 3.15Å; N885-S889 PolarHBondContact O-OG 3.48Å; N885-S889 PolarHBondContact OD1-OG 3.48Å; T886-S889 PolarHBondContact O-N 3.3Å; S889-F892 PolarHBondContact O-N 2.84Å; S889-T893 WeakPolarHBondContact O-CB 3.31Å; S889-T893 PolarHBondContact O-N 2.96Å; S889-T893 PolarHBondContact O-OG1 3.4Å |
| 890 | I | 91.6 | Very high | 91.5 | Very high | 31 Ų | 31 | 20.3 Ų | 20.3 | 16% | 0.159 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -65.9 | -42.5 | 176.1 | -169.1 | 179.9 | 0 | 0 | 0 | 111.6 | I853 V854 A857 T886 A887 F892 T893 L894 | I853-I890 HydrophobicContact CG2-CG1 4.35Å; V854-I890 HydrophobicContact CB-CD1 4.19Å; V854-I890 HydrophobicContact CG1-CD1 4.39Å; V854-I890 HydrophobicContact CG2-CD1 3.86Å; A857-I890 HydrophobicContact CB-CB 4.21Å; A857-I890 HydrophobicContact CB-CD1 3.71Å; A857-I890 HydrophobicContact CB-CG1 4.37Å; T886-I890 WeakPolarHBondContact O-CG2 3.42Å; T886-I890 PolarHBondContact O-N 3.44Å; A887-I890 VanDerWaalsContact O-CG2 3.31Å; A887-I890 WeakPolarHBondContact O-CG2 3.39Å; I890-F892 PolarHBondContact O-N 3.42Å; I890-T893 PolarHBondContact O-N 2.95Å; I890-L894 HydrophobicContact CD1-CD1 4.12Å; I890-L894 HydrophobicContact CG1-CD1 3.79Å; I890-L894 HydrophobicContact CG1-CG 4.14Å; I890-L894 WeakPolarHBondContact O-CG 3.49Å; I890-L894 PolarHBondContact O-N 3.16Å |
| 891 | L | 91.1 | Very high | 91.5 | Very high | 109 Ų | 109 | 17.5 Ų | 17.5 | 57% | 0.571 | 11% | 0.106 | S | C | * | . | H | α-helix | trans | -60.5 | -47.4 | 178.8 | -179.2 | 65.4 | 0 | 0 | 0 | 110.5 | A887 V888 S895 | A887-L891 WeakPolarHBondContact O-CB 3.25Å; A887-L891 PolarHBondContact O-N 2.91Å; V888-L891 PolarHBondContact O-N 3.4Å; L891-S895 WeakPolarHBondContact O-CB 3.26Å; L891-S895 PolarHBondContact O-N 3.03Å; L891-S895 VanDerWaalsContact O-N 3.09Å; L891-S895 PolarHBondContact O-OG 3.16Å |
| 892 | F | 92.3 | Very high | 91.4 | Very high | 14 Ų | 14 | 17.6 Ų | 17.6 | 6% | 0.061 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -70 | -34.7 | 179.5 | -85 | 41.9 | 0 | 0 | 0 | 112 | F287 V290 V776 L779 V888 S889 I890 V896 T897 | F287-F892 HydrophobicContact CD2-CD2 4.24Å; F287-F892 AromaticContact CD2-CE2 3.8Å; F287-F892 HydrophobicContact CD2-CE2 3.8Å; F287-F892 HydrophobicContact CD2-CZ 4.25Å; F287-F892 AromaticContact CE2-CD2 3.8Å; F287-F892 HydrophobicContact CE2-CD2 3.8Å; F287-F892 AromaticContact CE2-CE2 3.46Å; F287-F892 HydrophobicContact CE2-CE2 3.46Å; F287-F892 VanDerWaalsContact CE2-CE2 3.46Å; F287-F892 HydrophobicContact CE2-CZ 4.32Å; V290-F892 HydrophobicContact CG1-CZ 4.34Å; V776-F892 HydrophobicContact CG2-CB 3.86Å; V776-F892 HydrophobicContact CG2-CD2 3.84Å; V776-F892 HydrophobicContact CG2-CG 4.04Å; L779-F892 HydrophobicContact CB-CZ 4.31Å; L779-F892 HydrophobicContact CD2-CD1 4.49Å; L779-F892 HydrophobicContact CD2-CE1 3.45Å; L779-F892 VanDerWaalsContact CD2-CE1 3.45Å; L779-F892 HydrophobicContact CD2-CE2 4.47Å; L779-F892 HydrophobicContact CD2-CZ 3.45Å; L779-F892 VanDerWaalsContact CD2-CZ 3.45Å; L779-F892 HydrophobicContact CG-CZ 4.49Å; V888-F892 HydrophobicContact CG1-CD1 4.22Å; V888-F892 HydrophobicContact CG1-CE1 4.33Å; V888-F892 WeakPolarHBondContact O-CB 3.35Å; V888-F892 WeakPolarHBondContact O-CD1 3.42Å; V888-F892 PolarHBondContact O-N 3.44Å; S889-F892 PolarHBondContact O-N 2.84Å; I890-F892 PolarHBondContact O-N 3.42Å; F892-V896 HydrophobicContact CG-CG2 4.36Å; F892-V896 WeakPolarHBondContact O-CA 3.46Å; F892-V896 VanDerWaalsContact O-CB 3.29Å; F892-V896 WeakPolarHBondContact O-CB 3.27Å; F892-V896 PolarHBondContact O-N 3.47Å; F892-T897 PolarHBondContact O-N 2.9Å; F892-T897 PolarHBondContact O-OG1 3.04Å |
| 893 | T | 92.1 | Very high | 91.4 | Very high | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 12% | 0.116 | C | C | . | . | I | π-helix | trans | -64.3 | -55.1 | 175.7 | -60.5 | 0 | 0 | 0 | 0 | 110.8 | Y809 C810 L813 S889 I890 S895 T897 S898 | Y809-T893 WeakPolarHBondContact CB-OG1 3.32Å; Y809-T893 WeakPolarHBondContact O-CG2 3.4Å; C810-T893 PolarHBondContact SG-OG1 3.24Å; C810-T893 VanDerWaalsContact SG-OG1 3.33Å; L813-T893 HydrophobicContact CB-CG2 4.09Å; L813-T893 HydrophobicContact CD2-CG2 3.85Å; L813-T893 WeakPolarHBondContact CD2-O 3.3Å; S889-T893 WeakPolarHBondContact O-CB 3.31Å; S889-T893 PolarHBondContact O-N 2.96Å; S889-T893 PolarHBondContact O-OG1 3.4Å; I890-T893 PolarHBondContact O-N 2.95Å; T893-S895 VanDerWaalsContact C-N 3.34Å; T893-S895 PolarHBondContact O-N 3.12Å; T893-T897 WeakPolarHBondContact CA-OG1 3.29Å; T893-T897 WeakPolarHBondContact O-CB 3.48Å; T893-T897 PolarHBondContact O-N 3.43Å; T893-S898 PolarHBondContact O-N 2.93Å |
| 894 | L | 90.7 | Very high | 91.2 | Very high | 15 Ų | 15 | 21.5 Ų | 21.5 | 8% | 0.079 | 13% | 0.126 | C | C | . | . | I | π-helix | trans | -70 | -29 | -174.9 | -64.7 | 177.9 | 0 | 0 | 0 | 113.3 | L268 V272 V846 V854 I890 S898 | L268-L894 HydrophobicContact CD2-CD1 3.94Å; L268-L894 HydrophobicContact CD2-CD2 4.28Å; V272-L894 HydrophobicContact CG1-CB 3.77Å; V272-L894 HydrophobicContact CG1-CD1 4.43Å; V846-L894 HydrophobicContact CG1-CD2 4.48Å; V854-L894 HydrophobicContact CG2-CD1 3.99Å; I890-L894 HydrophobicContact CD1-CD1 4.12Å; I890-L894 HydrophobicContact CG1-CD1 3.79Å; I890-L894 HydrophobicContact CG1-CG 4.14Å; I890-L894 WeakPolarHBondContact O-CG 3.49Å; I890-L894 PolarHBondContact O-N 3.16Å; L894-S898 VanDerWaalsContact O-CB 3.25Å; L894-S898 WeakPolarHBondContact O-CB 3.43Å; L894-S898 PolarHBondContact O-OG 2.9Å |
| 895 | S | 91.1 | Very high | 90.9 | Very high | 29 Ų | 29 | 19.6 Ų | 19.6 | 20% | 0.203 | 12% | 0.116 | C | C | . | . | I | π-helix | trans | -96.2 | -66.7 | 179.4 | 64.3 | 0 | 0 | 0 | 0 | 113.3 | L891 T893 A899 | L891-S895 WeakPolarHBondContact O-CB 3.26Å; L891-S895 PolarHBondContact O-N 3.03Å; L891-S895 VanDerWaalsContact O-N 3.09Å; L891-S895 PolarHBondContact O-OG 3.16Å; T893-S895 VanDerWaalsContact C-N 3.34Å; T893-S895 PolarHBondContact O-N 3.12Å; S895-A899 WeakPolarHBondContact O-CB 3.31Å; S895-A899 PolarHBondContact O-N 3.32Å |
| 896 | V | 91.8 | Very high | 90.6 | Very high | 5 Ų | 5 | 20.5 Ų | 20.5 | 3% | 0.03 | 12% | 0.122 | C | C | . | . | I | π-helix | trans | -71.2 | -46.8 | -171.3 | -177.5 | 0 | 0 | 0 | 0 | 111.2 | F287 T772 F892 A899 L900 | F287-V896 HydrophobicContact CB-CG1 4.42Å; F287-V896 HydrophobicContact CB-CG2 4.01Å; F287-V896 HydrophobicContact CD1-CG1 4.02Å; F287-V896 HydrophobicContact CD2-CB 4.26Å; F287-V896 HydrophobicContact CD2-CG1 3.74Å; F287-V896 HydrophobicContact CD2-CG2 3.53Å; F287-V896 HydrophobicContact CE1-CG1 4.19Å; F287-V896 HydrophobicContact CE2-CG1 3.89Å; F287-V896 HydrophobicContact CE2-CG2 4.23Å; F287-V896 HydrophobicContact CG-CG1 3.78Å; F287-V896 HydrophobicContact CG-CG2 3.92Å; F287-V896 HydrophobicContact CZ-CG1 4.12Å; T772-V896 HydrophobicContact CG2-CB 4.43Å; T772-V896 HydrophobicContact CG2-CG1 4.05Å; F892-V896 HydrophobicContact CG-CG2 4.36Å; F892-V896 WeakPolarHBondContact O-CA 3.46Å; F892-V896 VanDerWaalsContact O-CB 3.29Å; F892-V896 WeakPolarHBondContact O-CB 3.27Å; F892-V896 PolarHBondContact O-N 3.47Å; V896-A899 PolarHBondContact O-N 3.38Å; V896-L900 HydrophobicContact CG1-CD1 3.8Å; V896-L900 HydrophobicContact CG1-CG 4.27Å; V896-L900 WeakPolarHBondContact O-CB 3.37Å; V896-L900 WeakPolarHBondContact O-CG 3.25Å; V896-L900 PolarHBondContact O-N 2.89Å |
| 897 | T | 91.6 | Very high | 90.1 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 13% | 0.127 | C | C | . | . | I | π-helix | trans | -65.6 | -43.6 | -178.8 | -48.1 | 0 | 0 | 0 | 0 | 110.6 | T772 C810 L813 F892 T893 A899 L900 L901 | T772-T897 HydrophobicContact CG2-CG2 4.45Å; T772-T897 WeakPolarHBondContact CG2-OG1 3.32Å; C810-T897 PolarHBondContact SG-OG1 3.25Å; L813-T897 HydrophobicContact CD2-CG2 3.93Å; F892-T897 PolarHBondContact O-N 2.9Å; F892-T897 PolarHBondContact O-OG1 3.04Å; T893-T897 WeakPolarHBondContact CA-OG1 3.29Å; T893-T897 WeakPolarHBondContact O-CB 3.48Å; T893-T897 PolarHBondContact O-N 3.43Å; T897-A899 PolarHBondContact O-N 2.93Å; T897-L900 PolarHBondContact O-N 3.24Å; T897-L901 HydrophobicContact CG2-CD1 4.12Å; T897-L901 HydrophobicContact CG2-CG 4.36Å; T897-L901 WeakPolarHBondContact O-CB 3.35Å; T897-L901 VanDerWaalsContact O-CG 3.27Å; T897-L901 WeakPolarHBondContact O-CG 3.38Å; T897-L901 PolarHBondContact O-N 3.46Å |
| 898 | S | 91.7 | Very high | 89.3 | Confident | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -56.3 | -46.2 | 172.3 | -56.6 | 0 | 0 | 0 | 0 | 112.4 | T842 T893 L894 L901 A902 | T842-S898 WeakPolarHBondContact CG2-O 3.47Å; T893-S898 PolarHBondContact O-N 2.93Å; L894-S898 VanDerWaalsContact O-CB 3.25Å; L894-S898 WeakPolarHBondContact O-CB 3.43Å; L894-S898 PolarHBondContact O-OG 2.9Å; S898-L901 PolarHBondContact O-N 2.96Å; S898-A902 WeakPolarHBondContact O-CB 3.34Å; S898-A902 PolarHBondContact O-N 2.77Å |
| 899 | A | 92.1 | Very high | 88.6 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -65.4 | -41.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | R280 V283 L284 S895 V896 T897 A902 C903 | R280-A899 HydrophobicContact CB-CB 4.01Å; V283-A899 HydrophobicContact CB-CB 4.4Å; V283-A899 HydrophobicContact CG1-CB 4.16Å; L284-A899 HydrophobicContact CD2-CB 4.41Å; L284-A899 HydrophobicContact CG-CB 4.39Å; S895-A899 WeakPolarHBondContact O-CB 3.31Å; S895-A899 PolarHBondContact O-N 3.32Å; V896-A899 PolarHBondContact O-N 3.38Å; T897-A899 PolarHBondContact O-N 2.93Å; A899-A902 PolarHBondContact O-N 3.45Å; A899-C903 PolarHBondContact O-N 3.32Å; A899-C903 VanDerWaalsContact O-N 3.15Å; A899-C903 PolarHBondContact O-SG 2.86Å |
| 900 | L | 91.1 | Very high | 87.6 | Confident | 10 Ų | 10 | 32.6 Ų | 32.6 | 5% | 0.052 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -65.8 | -41.8 | 176.7 | -74.5 | 171.7 | 0 | 0 | 0 | 111.7 | L284 P768 I771 T772 V896 T897 C903 M904 | L284-L900 HydrophobicContact CD2-CD2 3.49Å; L284-L900 VanDerWaalsContact CD2-CD2 3.49Å; L284-L900 HydrophobicContact CD2-CG 3.75Å; P768-L900 HydrophobicContact CB-CB 3.87Å; P768-L900 HydrophobicContact CB-CD1 4.38Å; P768-L900 HydrophobicContact CG-CB 4.24Å; I771-L900 HydrophobicContact CB-CD1 4.21Å; I771-L900 HydrophobicContact CG2-CD1 3.97Å; T772-L900 HydrophobicContact CG2-CD1 3.95Å; V896-L900 HydrophobicContact CG1-CD1 3.8Å; V896-L900 HydrophobicContact CG1-CG 4.27Å; V896-L900 WeakPolarHBondContact O-CB 3.37Å; V896-L900 WeakPolarHBondContact O-CG 3.25Å; V896-L900 PolarHBondContact O-N 2.89Å; T897-L900 PolarHBondContact O-N 3.24Å; L900-C903 PolarHBondContact O-N 3.48Å; L900-M904 HydrophobicContact CD2-SD 4.3Å; L900-M904 PolarHBondContact O-N 3.29Å |
| 901 | L | 90.6 | Very high | 86.6 | Confident | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -62.8 | -43.7 | 175.3 | -72.3 | 173.2 | 0 | 0 | 0 | 111.4 | L765 P768 L813 V814 Y817 T842 T897 S898 C903 A905 | L765-L901 HydrophobicContact CD2-CD2 4.04Å; P768-L901 HydrophobicContact CB-CD2 4.45Å; P768-L901 HydrophobicContact CG-CD2 4.41Å; L813-L901 HydrophobicContact CD2-CD1 4.23Å; L813-L901 HydrophobicContact CG-CD1 4.07Å; V814-L901 HydrophobicContact CG2-CD1 4.38Å; V814-L901 HydrophobicContact CG2-CD2 4.28Å; Y817-L901 HydrophobicContact CD2-CB 4.49Å; T842-L901 HydrophobicContact CG2-CB 4.43Å; T897-L901 HydrophobicContact CG2-CD1 4.12Å; T897-L901 HydrophobicContact CG2-CG 4.36Å; T897-L901 WeakPolarHBondContact O-CB 3.35Å; T897-L901 VanDerWaalsContact O-CG 3.27Å; T897-L901 WeakPolarHBondContact O-CG 3.38Å; T897-L901 PolarHBondContact O-N 3.46Å; S898-L901 PolarHBondContact O-N 2.96Å; L901-C903 PolarHBondContact O-N 3.44Å; L901-A905 HydrophobicContact CB-CB 4.33Å; L901-A905 HydrophobicContact CD2-CB 3.89Å; L901-A905 WeakPolarHBondContact O-CB 3.32Å; L901-A905 PolarHBondContact O-N 3.02Å; L901-A905 VanDerWaalsContact O-N 3.15Å |
| 902 | A | 88.9 | Confident | 85.7 | Confident | 2 Ų | 2 | 34.1 Ų | 34.1 | 2% | 0.017 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -63.3 | -27.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | V277 R838 Q839 T842 S898 A899 | V277-A902 HydrophobicContact CG1-CB 4.27Å; R838-A902 PolarHBondContact NE-O 2.74Å; Q839-A902 HydrophobicContact CG-CB 4.31Å; T842-A902 PolarHBondContact OG1-N 3.02Å; S898-A902 WeakPolarHBondContact O-CB 3.34Å; S898-A902 PolarHBondContact O-N 2.77Å; A899-A902 PolarHBondContact O-N 3.45Å |
| 903 | C | 88.3 | Confident | 84.5 | Confident | 40 Ų | 40 | 38.8 Ų | 38.8 | 27% | 0.27 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -85.2 | -51.2 | 178.6 | -78.3 | 0 | 0 | 0 | 0 | 113.6 | R280 A899 L900 L901 | R280-C903 VanDerWaalsContact CD-SG 3.5Å; A899-C903 PolarHBondContact O-N 3.32Å; A899-C903 VanDerWaalsContact O-N 3.15Å; A899-C903 PolarHBondContact O-SG 2.86Å; L900-C903 PolarHBondContact O-N 3.48Å; L901-C903 PolarHBondContact O-N 3.44Å |
| 904 | M | 87.9 | Confident | 83.6 | Confident | 75 Ų | 75 | 40.3 Ų | 40.3 | 37% | 0.369 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -114.2 | -18.5 | -160.9 | -57.4 | -175 | 73.2 | 0 | 0 | 114.6 | L767 L900 | L767-M904 HydrophobicContact CD1-CE 4.43Å; L767-M904 HydrophobicContact CD2-CE 3.39Å; L767-M904 HydrophobicContact CD2-SD 3.56Å; L767-M904 VanDerWaalsContact CD2-SD 3.56Å; L900-M904 HydrophobicContact CD2-SD 4.3Å; L900-M904 PolarHBondContact O-N 3.29Å |
| 905 | A | 86.1 | Confident | 83 | Confident | 1 Ų | 1 | 40.7 Ų | 40.7 | 1% | 0.008 | 22% | 0.224 | C | C | . | . | S | Bend | trans | -65.1 | 153.2 | -175.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | L765 Y817 R838 L901 A907 | L765-A905 HydrophobicContact CD2-CB 3.97Å; Y817-A905 HydrophobicContact CD1-CB 4.45Å; Y817-A905 HydrophobicContact CE1-CB 3.68Å; Y817-A905 HydrophobicContact CE2-CB 4.18Å; Y817-A905 WeakPolarHBondContact OH-CB 3.38Å; R838-A905 WeakPolarHBondContact CD-O 3.39Å; L901-A905 HydrophobicContact CB-CB 4.33Å; L901-A905 HydrophobicContact CD2-CB 3.89Å; L901-A905 WeakPolarHBondContact O-CB 3.32Å; L901-A905 PolarHBondContact O-N 3.02Å; L901-A905 VanDerWaalsContact O-N 3.15Å; A905-A907 PolarHBondContact O-N 3.13Å |
| 906 | P | 85.9 | Confident | 82.3 | Confident | 20 Ų | 20 | 41.2 Ų | 41.2 | 13% | 0.13 | 23% | 0.225 | C | C | . | . | trans | -69.9 | 128.8 | 178.2 | 28.4 | -34.6 | 0 | 0 | 0 | 111.8 | L765 Y817 R908 F909 | L765-P906 HydrophobicContact CD1-CG 4.24Å; L765-P906 HydrophobicContact CD2-CG 4.3Å; L765-P906 HydrophobicContact CG-CG 4.07Å; Y817-P906 PolarHBondContact OH-O 3.04Å; P906-R908 PolarHBondContact O-N 2.96Å; P906-F909 HydrophobicContact CB-CB 3.65Å; P906-F909 HydrophobicContact CG-CB 3.61Å; P906-F909 HydrophobicContact CG-CD1 4.38Å; P906-F909 HydrophobicContact CG-CG 4.19Å | ||
| 907 | A | 80 | Confident | 81.8 | Confident | 15 Ų | 15 | 46.7 Ų | 46.7 | 12% | 0.124 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.5 | -25.4 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | P834 R838 R841 A905 | P834-A907 HydrophobicContact CB-CB 4.1Å; R838-A907 HydrophobicContact CG-CB 3.93Å; R841-A907 PolarHBondContact NE-O 3.14Å; R841-A907 PolarHBondContact NH1-O 3.47Å; R841-A907 VanDerWaalsContact NH1-O 3.16Å; R841-A907 PolarHBondContact NH2-O 3.29Å; A905-A907 PolarHBondContact O-N 3.13Å |
| 908 | R | 74.9 | Confident | 81.4 | Confident | 195 Ų | 195 | 54.3 Ų | 54.3 | 74% | 0.736 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -139.7 | 51.1 | -175.8 | -62.1 | -175.5 | -173.9 | -174.3 | 1.2 | 111.8 | P906 | P906-R908 PolarHBondContact O-N 2.96Š|
| 909 | F | 78.4 | Confident | 80.9 | Confident | 48 Ų | 48 | 55.1 Ų | 55.1 | 21% | 0.211 | 29% | 0.294 | C | S | . | . | trans | -106.2 | 130.8 | 176 | -179.4 | -106.2 | 0 | 0 | 0 | 110.6 | H762 L765 L818 P906 R911 | H762-F909 HydrophobicContact CB-CE1 4.12Å; H762-F909 HydrophobicContact CB-CZ 4.03Å; H762-F909 AromaticContact CD2-CD2 3.89Å; H762-F909 AromaticContact CD2-CE2 3.75Å; L765-F909 HydrophobicContact CD1-CD1 4.32Å; L765-F909 HydrophobicContact CD1-CE1 4.49Å; L818-F909 HydrophobicContact CD2-CD1 4.01Å; L818-F909 HydrophobicContact CD2-CE1 4.33Å; P906-F909 HydrophobicContact CB-CB 3.65Å; P906-F909 HydrophobicContact CG-CB 3.61Å; P906-F909 HydrophobicContact CG-CD1 4.38Å; P906-F909 HydrophobicContact CG-CG 4.19Å; F909-R911 HydrophobicContact CE1-CB 4.42Å | ||
| 910 | S | 71.1 | Confident | 80.5 | Confident | 76 Ų | 76 | 57.4 Ų | 57.4 | 53% | 0.531 | 31% | 0.309 | S | S | . | . | trans | -120.6 | 139.7 | 166 | 59.8 | 0 | 0 | 0 | 0 | 108.4 | H912 | S910-H912 PolarHBondContact O-N 3.44Š| ||
| 911 | R | 71.6 | Confident | 80.2 | Confident | 35 Ų | 35 | 62 Ų | 62 | 13% | 0.132 | 33% | 0.334 | C | S | . | . | trans | -80.1 | 105.7 | -172.8 | -173.5 | 175.3 | 177.7 | -176.4 | -3.3 | 109.8 | F759 F909 V916 | F759-R911 PolarHBondContact O-NE 3.46Å; F759-R911 PolarHBondContact O-NH1 3.2Å; F759-R911 VanDerWaalsContact O-NH1 3.13Å; F759-R911 PolarHBondContact O-NH2 3.39Å; F909-R911 HydrophobicContact CE1-CB 4.42Å; R911-V916 VanDerWaalsContact NE-CG2 3.33Å | ||
| 912 | H | 71.4 | Confident | 79.8 | Confident | 136 Ų | 136 | 65 Ų | 65 | 63% | 0.63 | 36% | 0.358 | S | S | * | . | trans | -70.3 | 139.6 | 174.4 | -157.2 | -85.6 | 0 | 0 | 0 | 110.6 | S910 G914 A915 | S910-H912 PolarHBondContact O-N 3.44Å; H912-G914 PolarHBondContact O-N 2.93Å; H912-G914 VanDerWaalsContact O-N 3.09Å; H912-A915 VanDerWaalsContact O-CB 3.23Å; H912-A915 WeakPolarHBondContact O-CB 3.35Å; H912-A915 PolarHBondContact O-N 3.22Å | ||
| 913 | P | 68.3 | Low | 79.6 | Confident | 113 Ų | 113 | 66.6 Ų | 66.6 | 73% | 0.734 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -56.1 | -30.6 | -176.9 | 14.4 | -28.5 | 0 | 0 | 0 | 114.5 | A915 | P913-A915 PolarHBondContact O-N 2.86Å |
| 914 | G | 72.4 | Confident | 79.4 | Confident | 31 Ų | 31 | 68.4 Ų | 68.4 | 32% | 0.32 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -77.6 | -10 | 175.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | H912 K918 | H912-G914 PolarHBondContact O-N 2.93Å; H912-G914 VanDerWaalsContact O-N 3.09Å; G914-K918 WeakPolarHBondContact O-CG 3.49Å; G914-K918 PolarHBondContact O-N 3.26Å |
| 915 | A | 77 | Confident | 79.2 | Confident | 24 Ų | 24 | 67.4 Ų | 67.4 | 20% | 0.198 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -69.8 | -35.9 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | A761 H912 P913 K918 A919 | A761-A915 HydrophobicContact CB-CB 3.89Å; H912-A915 VanDerWaalsContact O-CB 3.23Å; H912-A915 WeakPolarHBondContact O-CB 3.35Å; H912-A915 PolarHBondContact O-N 3.22Å; P913-A915 PolarHBondContact O-N 2.86Å; A915-K918 PolarHBondContact O-N 2.9Å; A915-A919 WeakPolarHBondContact O-CB 3.4Å; A915-A919 PolarHBondContact O-N 2.89Å |
| 916 | V | 77.9 | Confident | 79 | Confident | 39 Ų | 39 | 69.9 Ų | 69.9 | 24% | 0.236 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -66.8 | -41.6 | 178.1 | -175.5 | 0 | 0 | 0 | 0 | 111.1 | V758 R911 A919 S920 | V758-V916 HydrophobicContact CG1-CG1 3.98Å; R911-V916 VanDerWaalsContact NE-CG2 3.33Å; V916-A919 PolarHBondContact O-N 3.36Å; V916-S920 WeakPolarHBondContact O-CB 3.39Å; V916-S920 PolarHBondContact O-N 3.49Å |
| 917 | L | 81.3 | Confident | 78.8 | Confident | 121 Ų | 121 | 72 Ų | 72 | 63% | 0.634 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -63.1 | -43.5 | 177 | -174.1 | 67.3 | 0 | 0 | 0 | 111.2 | S920 L921 | L917-S920 PolarHBondContact O-N 2.84Å; L917-L921 HydrophobicContact CG-CD1 4.35Å; L917-L921 PolarHBondContact O-N 3.47Å |
| 918 | K | 82.9 | Confident | 78.9 | Confident | 160 Ų | 160 | 74.4 Ų | 74.4 | 70% | 0.696 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -63.4 | -42.9 | 175.2 | -71.3 | -178.8 | -178.6 | -176.3 | 0 | 112 | G914 A915 L921 A922 | G914-K918 WeakPolarHBondContact O-CG 3.49Å; G914-K918 PolarHBondContact O-N 3.26Å; A915-K918 PolarHBondContact O-N 2.9Å; K918-L921 PolarHBondContact O-N 3.04Å; K918-A922 WeakPolarHBondContact O-CB 3.35Å; K918-A922 PolarHBondContact O-N 3.07Å |
| 919 | A | 81.7 | Confident | 79.3 | Confident | 17 Ų | 17 | 70.4 Ų | 70.4 | 14% | 0.14 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -65.2 | -41 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | A761 A915 V916 A922 V923 | A761-A919 HydrophobicContact CB-CB 4.19Å; A915-A919 WeakPolarHBondContact O-CB 3.4Å; A915-A919 PolarHBondContact O-N 2.89Å; V916-A919 PolarHBondContact O-N 3.36Å; A919-A922 PolarHBondContact O-N 3.3Å; A919-V923 WeakPolarHBondContact O-CB 3.34Å; A919-V923 VanDerWaalsContact O-CG2 3.28Å; A919-V923 WeakPolarHBondContact O-CG2 3.31Å; A919-V923 PolarHBondContact O-N 2.83Å |
| 920 | S | 81.8 | Confident | 79.4 | Confident | 47 Ų | 47 | 72.4 Ų | 72.4 | 33% | 0.329 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -60.3 | -45.1 | 174.2 | -178.7 | 0 | 0 | 0 | 0 | 112.3 | V916 L917 A922 V923 T924 | V916-S920 WeakPolarHBondContact O-CB 3.39Å; V916-S920 PolarHBondContact O-N 3.49Å; L917-S920 PolarHBondContact O-N 2.84Å; S920-A922 PolarHBondContact O-N 3.07Å; S920-V923 PolarHBondContact O-N 3.25Å; S920-T924 WeakPolarHBondContact O-CB 3.38Å; S920-T924 VanDerWaalsContact O-CG2 3.32Å; S920-T924 WeakPolarHBondContact O-CG2 3.4Å; S920-T924 PolarHBondContact O-N 2.83Å; S920-T924 PolarHBondContact O-OG1 3.22Å |
| 921 | L | 84.9 | Confident | 79.6 | Confident | 108 Ų | 108 | 70.7 Ų | 70.7 | 57% | 0.565 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -61.1 | -41.8 | 173.5 | -84 | 156 | 0 | 0 | 0 | 112.4 | L917 K918 T924 A925 | L917-L921 HydrophobicContact CG-CD1 4.35Å; L917-L921 PolarHBondContact O-N 3.47Å; K918-L921 PolarHBondContact O-N 3.04Å; L921-T924 WeakPolarHBondContact CA-OG1 3.47Å; L921-T924 PolarHBondContact O-OG1 3.47Å; L921-A925 VanDerWaalsContact O-CB 3.26Å; L921-A925 WeakPolarHBondContact O-CB 3.37Å; L921-A925 PolarHBondContact O-N 3.42Å |
| 922 | A | 83.3 | Confident | 79.8 | Confident | 62 Ų | 62 | 71.7 Ų | 71.7 | 51% | 0.512 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -65.9 | -42.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | K918 A919 S920 A925 A926 | K918-A922 WeakPolarHBondContact O-CB 3.35Å; K918-A922 PolarHBondContact O-N 3.07Å; A919-A922 PolarHBondContact O-N 3.3Å; S920-A922 PolarHBondContact O-N 3.07Å; A922-A925 PolarHBondContact O-N 3Å; A922-A926 WeakPolarHBondContact O-CB 3.39Å; A922-A926 PolarHBondContact O-N 2.95Å |
| 923 | V | 84.7 | Confident | 80 | Confident | 35 Ų | 35 | 70.5 Ų | 70.5 | 21% | 0.212 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -68.8 | -42.5 | 179.3 | 171.1 | 0 | 0 | 0 | 0 | 111.3 | A754 S757 V758 A919 S920 A926 A927 | A754-V923 HydrophobicContact CB-CG1 3.73Å; S757-V923 WeakPolarHBondContact OG-CG2 3.31Å; V758-V923 HydrophobicContact CG2-CB 3.87Å; V758-V923 HydrophobicContact CG2-CG1 4.1Å; V758-V923 HydrophobicContact CG2-CG2 3.72Å; A919-V923 WeakPolarHBondContact O-CB 3.34Å; A919-V923 VanDerWaalsContact O-CG2 3.28Å; A919-V923 WeakPolarHBondContact O-CG2 3.31Å; A919-V923 PolarHBondContact O-N 2.83Å; S920-V923 PolarHBondContact O-N 3.25Å; V923-A926 PolarHBondContact O-N 3.28Å; V923-A927 WeakPolarHBondContact O-CB 3.49Å; V923-A927 PolarHBondContact O-N 3.33Å |
| 924 | T | 82.9 | Confident | 80.1 | Confident | 79 Ų | 79 | 69 Ų | 69 | 49% | 0.485 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -64.8 | -39.7 | 175.7 | 49.3 | 0 | 0 | 0 | 0 | 111.8 | S920 L921 A927 A928 | S920-T924 WeakPolarHBondContact O-CB 3.38Å; S920-T924 VanDerWaalsContact O-CG2 3.32Å; S920-T924 WeakPolarHBondContact O-CG2 3.4Å; S920-T924 PolarHBondContact O-N 2.83Å; S920-T924 PolarHBondContact O-OG1 3.22Å; L921-T924 WeakPolarHBondContact CA-OG1 3.47Å; L921-T924 PolarHBondContact O-OG1 3.47Å; T924-A927 PolarHBondContact O-N 3.16Å; T924-A928 WeakPolarHBondContact O-CB 3.31Å; T924-A928 PolarHBondContact O-N 2.85Å |
| 925 | A | 83.9 | Confident | 80.2 | Confident | 54 Ų | 54 | 75 Ų | 75 | 45% | 0.446 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -63 | -44 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112 | L921 A922 A928 L929 | L921-A925 VanDerWaalsContact O-CB 3.26Å; L921-A925 WeakPolarHBondContact O-CB 3.37Å; L921-A925 PolarHBondContact O-N 3.42Å; A922-A925 PolarHBondContact O-N 3Å; A925-A928 PolarHBondContact O-N 3.49Å; A925-L929 WeakPolarHBondContact O-CB 3.48Å; A925-L929 PolarHBondContact O-N 3.48Å |
| 926 | A | 82.5 | Confident | 79.8 | Confident | 52 Ų | 52 | 77 Ų | 77 | 43% | 0.43 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -63.5 | -43.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112 | A922 V923 L929 V930 | A922-A926 WeakPolarHBondContact O-CB 3.39Å; A922-A926 PolarHBondContact O-N 2.95Å; V923-A926 PolarHBondContact O-N 3.28Å; A926-L929 WeakPolarHBondContact O-CB 3.33Å; A926-L929 PolarHBondContact O-N 2.92Å; A926-V930 WeakPolarHBondContact O-CG2 3.32Å; A926-V930 PolarHBondContact O-N 3.44Å |
| 927 | A | 81.9 | Confident | 79.2 | Confident | 64 Ų | 64 | 77 Ų | 77 | 53% | 0.529 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -63.1 | -41.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | V923 T924 L929 V930 G931 | V923-A927 WeakPolarHBondContact O-CB 3.49Å; V923-A927 PolarHBondContact O-N 3.33Å; T924-A927 PolarHBondContact O-N 3.16Å; A927-L929 VanDerWaalsContact C-N 3.33Å; A927-L929 PolarHBondContact O-N 2.94Å; A927-V930 PolarHBondContact O-N 3.07Å; A927-G931 PolarHBondContact O-N 3.39Å |
| 928 | A | 81.7 | Confident | 78.3 | Confident | 67 Ų | 67 | 78 Ų | 78 | 55% | 0.554 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -63.7 | -38.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112 | T924 A925 G931 A932 | T924-A928 WeakPolarHBondContact O-CB 3.31Å; T924-A928 PolarHBondContact O-N 2.85Å; A925-A928 PolarHBondContact O-N 3.49Å; A928-G931 PolarHBondContact O-N 3.07Å; A928-A932 WeakPolarHBondContact O-CB 3.5Å; A928-A932 PolarHBondContact O-N 3.4Å |
| 929 | L | 83.6 | Confident | 76.9 | Confident | 111 Ų | 111 | 76 Ų | 76 | 58% | 0.581 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -65 | -46.2 | 175.6 | -118.3 | 149.3 | 0 | 0 | 0 | 112 | A925 A926 A927 G931 A932 L933 | A925-L929 WeakPolarHBondContact O-CB 3.48Å; A925-L929 PolarHBondContact O-N 3.48Å; A926-L929 WeakPolarHBondContact O-CB 3.33Å; A926-L929 PolarHBondContact O-N 2.92Å; A927-L929 VanDerWaalsContact C-N 3.33Å; A927-L929 PolarHBondContact O-N 2.94Å; L929-G931 VanDerWaalsContact C-N 3.35Å; L929-A932 PolarHBondContact O-N 3.41Å; L929-L933 HydrophobicContact CD2-CD1 4.29Å; L929-L933 WeakPolarHBondContact O-CB 3.43Å; L929-L933 VanDerWaalsContact O-CG 3.28Å; L929-L933 WeakPolarHBondContact O-CG 3.29Å; L929-L933 PolarHBondContact O-N 3.13Å |
| 930 | V | 79.5 | Confident | 75.3 | Confident | 89 Ų | 89 | 80.6 Ų | 80.6 | 54% | 0.539 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63.5 | -42.6 | 175.3 | 172.9 | 0 | 0 | 0 | 0 | 110.7 | A926 A927 A932 L933 C934 | A926-V930 WeakPolarHBondContact O-CG2 3.32Å; A926-V930 PolarHBondContact O-N 3.44Å; A927-V930 PolarHBondContact O-N 3.07Å; V930-A932 PolarHBondContact O-N 3.34Å; V930-L933 PolarHBondContact O-N 2.91Å; V930-C934 WeakPolarHBondContact O-CB 3.43Å; V930-C934 PolarHBondContact O-N 3.48Å |
| 931 | G | 76.4 | Confident | 73.2 | Confident | 41 Ų | 41 | 80.3 Ų | 80.3 | 42% | 0.423 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -59.9 | -44.3 | 175 | 0 | 0 | 0 | 0 | 0 | 112.4 | A927 A928 L929 C934 W935 | A927-G931 PolarHBondContact O-N 3.39Å; A928-G931 PolarHBondContact O-N 3.07Å; L929-G931 VanDerWaalsContact C-N 3.35Å; G931-C934 PolarHBondContact O-N 3.42Å; G931-W935 VanDerWaalsContact O-CB 3.29Å; G931-W935 WeakPolarHBondContact O-CB 3.41Å; G931-W935 PolarHBondContact O-N 3.11Å |
| 932 | A | 74.8 | Confident | 71.1 | Confident | 56 Ų | 56 | 77.8 Ų | 77.8 | 46% | 0.463 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -65 | -40.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | A928 L929 V930 W935 T936 | A928-A932 WeakPolarHBondContact O-CB 3.5Å; A928-A932 PolarHBondContact O-N 3.4Å; L929-A932 PolarHBondContact O-N 3.41Å; V930-A932 PolarHBondContact O-N 3.34Å; A932-W935 PolarHBondContact O-N 3.49Å; A932-T936 WeakPolarHBondContact O-CB 3.19Å; A932-T936 VanDerWaalsContact O-CG2 3.27Å; A932-T936 WeakPolarHBondContact O-CG2 3.17Å; A932-T936 PolarHBondContact O-N 2.9Å; A932-T936 PolarHBondContact O-OG1 3.39Å |
| 933 | L | 75.9 | Confident | 68.7 | Low | 111 Ų | 111 | 77.8 Ų | 77.8 | 58% | 0.581 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -65.6 | -42.6 | 175.6 | -74 | 167 | 0 | 0 | 0 | 112.2 | L929 V930 T936 G937 | L929-L933 HydrophobicContact CD2-CD1 4.29Å; L929-L933 WeakPolarHBondContact O-CB 3.43Å; L929-L933 VanDerWaalsContact O-CG 3.28Å; L929-L933 WeakPolarHBondContact O-CG 3.29Å; L929-L933 PolarHBondContact O-N 3.13Å; V930-L933 PolarHBondContact O-N 2.91Å; L933-T936 WeakPolarHBondContact CA-OG1 3.4Å; L933-T936 PolarHBondContact O-OG1 3.01Å; L933-G937 PolarHBondContact O-N 3.35Å |
| 934 | C | 71.8 | Confident | 66.2 | Low | 80 Ų | 80 | 78.6 Ų | 78.6 | 54% | 0.541 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64.4 | -41.2 | 173.3 | -88 | 0 | 0 | 0 | 0 | 112 | V930 G931 G937 Q938 | V930-C934 WeakPolarHBondContact O-CB 3.43Å; V930-C934 PolarHBondContact O-N 3.48Å; G931-C934 PolarHBondContact O-N 3.42Å; C934-G937 PolarHBondContact O-N 3.27Å; C934-Q938 WeakPolarHBondContact O-CB 3.47Å; C934-Q938 PolarHBondContact O-N 2.85Å |
| 935 | W | 73.9 | Confident | 63.7 | Low | 159 Ų | 159 | 84.7 Ų | 84.7 | 60% | 0.602 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -63.9 | -47.3 | 178 | -175 | -88.1 | 0 | 0 | 0 | 112 | G931 A932 G937 Q938 Q939 | G931-W935 VanDerWaalsContact O-CB 3.29Å; G931-W935 WeakPolarHBondContact O-CB 3.41Å; G931-W935 PolarHBondContact O-N 3.11Å; A932-W935 PolarHBondContact O-N 3.49Å; W935-G937 VanDerWaalsContact C-N 3.34Å; W935-G937 PolarHBondContact O-N 3.03Å; W935-Q938 PolarHBondContact O-N 3.48Å; W935-Q939 PolarHBondContact O-N 3.45Å |
| 936 | T | 69.3 | Low | 61.1 | Low | 66 Ų | 66 | 91.2 Ų | 91.2 | 41% | 0.405 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -64.7 | -38.1 | 175.5 | 53.9 | 0 | 0 | 0 | 0 | 111.6 | A932 L933 Q939 L940 | A932-T936 WeakPolarHBondContact O-CB 3.19Å; A932-T936 VanDerWaalsContact O-CG2 3.27Å; A932-T936 WeakPolarHBondContact O-CG2 3.17Å; A932-T936 PolarHBondContact O-N 2.9Å; A932-T936 PolarHBondContact O-OG1 3.39Å; L933-T936 WeakPolarHBondContact CA-OG1 3.4Å; L933-T936 PolarHBondContact O-OG1 3.01Å; T936-Q939 PolarHBondContact O-N 2.86Å; T936-L940 WeakPolarHBondContact O-CB 3.42Å; T936-L940 WeakPolarHBondContact O-CD1 3.47Å; T936-L940 WeakPolarHBondContact O-CG 3.18Å; T936-L940 PolarHBondContact O-N 2.84Å |
| 937 | G | 64.1 | Low | 58.6 | Low | 39 Ų | 39 | 92.5 Ų | 92.5 | 40% | 0.402 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -64.1 | -40.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | L933 C934 W935 L940 G941 | L933-G937 PolarHBondContact O-N 3.35Å; C934-G937 PolarHBondContact O-N 3.27Å; W935-G937 VanDerWaalsContact C-N 3.34Å; W935-G937 PolarHBondContact O-N 3.03Å; G937-L940 PolarHBondContact O-N 3.38Å; G937-G941 PolarHBondContact O-N 3.01Å |
| 938 | Q | 61.9 | Low | 56.1 | Low | 142 Ų | 142 | 96.7 Ų | 96.7 | 66% | 0.664 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -66.9 | -39.2 | 173.5 | -85.2 | -176.3 | -24.9 | 0 | 0 | 112.2 | C934 W935 A942 | C934-Q938 WeakPolarHBondContact O-CB 3.47Å; C934-Q938 PolarHBondContact O-N 2.85Å; W935-Q938 PolarHBondContact O-N 3.48Å; Q938-A942 VanDerWaalsContact O-CB 3.24Å; Q938-A942 WeakPolarHBondContact O-CB 3.31Å; Q938-A942 PolarHBondContact O-N 3.46Å |
| 939 | Q | 55 | Low | 53.5 | Low | 116 Ų | 116 | 97.6 Ų | 97.6 | 54% | 0.542 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -65.8 | -41.2 | 173.6 | -85.8 | -178.9 | -38.7 | 0 | 0 | 112.2 | W935 T936 A942 S943 | W935-Q939 PolarHBondContact O-N 3.45Å; T936-Q939 PolarHBondContact O-N 2.86Å; Q939-A942 PolarHBondContact O-N 2.9Å; Q939-S943 WeakPolarHBondContact O-CB 3.2Å; Q939-S943 PolarHBondContact O-N 2.96Å; Q939-S943 PolarHBondContact O-OG 2.93Å |
| 940 | L | 47.8 | Very low | 50.9 | Low | 115 Ų | 115 | 100.2 Ų | 100.2 | 60% | 0.602 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -65.6 | -43.6 | 175.5 | -84.7 | 153.6 | 0 | 0 | 0 | 111.4 | T936 G937 S943 A944 | T936-L940 WeakPolarHBondContact O-CB 3.42Å; T936-L940 WeakPolarHBondContact O-CD1 3.47Å; T936-L940 WeakPolarHBondContact O-CG 3.18Å; T936-L940 PolarHBondContact O-N 2.84Å; G937-L940 PolarHBondContact O-N 3.38Å; L940-S943 WeakPolarHBondContact CA-OG 3.46Å; L940-S943 PolarHBondContact O-N 3Å; L940-S943 PolarHBondContact O-OG 2.81Å; L940-A944 WeakPolarHBondContact O-CB 3.25Å; L940-A944 PolarHBondContact O-N 3.46Å |
| 941 | G | 38.2 | Very low | 49.4 | Very low | 41 Ų | 41 | 100.8 Ų | 100.8 | 42% | 0.423 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -63.4 | -42.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | G937 S943 A944 W945 | G937-G941 PolarHBondContact O-N 3.01Å; G941-S943 VanDerWaalsContact C-N 3.33Å; G941-S943 PolarHBondContact O-N 3.06Å; G941-A944 PolarHBondContact O-N 3.48Å; G941-W945 WeakPolarHBondContact O-CB 3.37Å; G941-W945 PolarHBondContact O-N 3.44Å |
| 942 | A | 39.3 | Very low | 48 | Very low | 54 Ų | 54 | 103.9 Ų | 103.9 | 45% | 0.446 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -66.7 | -33.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q938 Q939 R946 | Q938-A942 VanDerWaalsContact O-CB 3.24Å; Q938-A942 WeakPolarHBondContact O-CB 3.31Å; Q938-A942 PolarHBondContact O-N 3.46Å; Q939-A942 PolarHBondContact O-N 2.9Å; A942-R946 WeakPolarHBondContact O-CG 3.48Å; A942-R946 PolarHBondContact O-N 3.47Å |
| 943 | S | 34.5 | Very low | 46.5 | Very low | 63 Ų | 63 | 106.6 Ų | 106.6 | 44% | 0.441 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -74.3 | -36.4 | 174.6 | 72.1 | 0 | 0 | 0 | 0 | 112.8 | Q939 L940 G941 R946 S947 | Q939-S943 WeakPolarHBondContact O-CB 3.2Å; Q939-S943 PolarHBondContact O-N 2.96Å; Q939-S943 PolarHBondContact O-OG 2.93Å; L940-S943 WeakPolarHBondContact CA-OG 3.46Å; L940-S943 PolarHBondContact O-N 3Å; L940-S943 PolarHBondContact O-OG 2.81Å; G941-S943 VanDerWaalsContact C-N 3.33Å; G941-S943 PolarHBondContact O-N 3.06Å; S943-R946 PolarHBondContact O-N 3.42Å; S943-S947 PolarHBondContact O-N 2.97Å |
| 944 | A | 31.8 | Very low | 44.8 | Very low | 51 Ų | 51 | 106.4 Ų | 106.4 | 42% | 0.421 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -69.4 | -36.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | L940 G941 S947 L948 | L940-A944 WeakPolarHBondContact O-CB 3.25Å; L940-A944 PolarHBondContact O-N 3.46Å; G941-A944 PolarHBondContact O-N 3.48Å; A944-S947 PolarHBondContact O-N 2.98Å; A944-L948 PolarHBondContact O-N 3.39Å; A944-L948 VanDerWaalsContact O-N 3.08Å |
| 945 | W | 29.2 | Very low | 43.1 | Very low | 207 Ų | 207 | 108 Ų | 108 | 78% | 0.784 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -66.8 | -37 | 173.4 | -160 | -84.7 | 0 | 0 | 0 | 112.1 | G941 S947 L948 S949 | G941-W945 WeakPolarHBondContact O-CB 3.37Å; G941-W945 PolarHBondContact O-N 3.44Å; W945-S947 VanDerWaalsContact C-N 3.33Å; W945-L948 PolarHBondContact O-N 2.99Å; W945-S949 PolarHBondContact O-N 2.96Å; W945-S949 PolarHBondContact O-OG 3.02Å |
| 946 | R | 29.7 | Very low | 41.1 | Very low | 192 Ų | 192 | 104.6 Ų | 104.6 | 73% | 0.725 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -69.6 | -26.8 | 172.7 | -76.5 | -178 | -171.7 | 178.7 | 3.5 | 113.6 | A942 S943 S949 | A942-R946 WeakPolarHBondContact O-CG 3.48Å; A942-R946 PolarHBondContact O-N 3.47Å; S943-R946 PolarHBondContact O-N 3.42Å; R946-S949 PolarHBondContact O-OG 3.09Å |
| 947 | S | 29.3 | Very low | 39.1 | Very low | 78 Ų | 78 | 107.4 Ų | 107.4 | 55% | 0.545 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -83.3 | -18.4 | 176.5 | 145.6 | 0 | 0 | 0 | 0 | 113.6 | S943 A944 W945 | S943-S947 PolarHBondContact O-N 2.97Å; A944-S947 PolarHBondContact O-N 2.98Å; W945-S947 VanDerWaalsContact C-N 3.33Å |
| 948 | L | 30.4 | Very low | 37.1 | Very low | 153 Ų | 153 | 112.6 Ų | 112.6 | 80% | 0.801 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -89.8 | -13.2 | 169.9 | -102.8 | 87.2 | 0 | 0 | 0 | 113 | A944 W945 | A944-L948 PolarHBondContact O-N 3.39Å; A944-L948 VanDerWaalsContact O-N 3.08Å; W945-L948 PolarHBondContact O-N 2.99Å |
| 949 | S | 27 | Very low | 35.1 | Very low | 85 Ų | 85 | 110.2 Ų | 110.2 | 59% | 0.594 | 61% | 0.612 | S | S | * | * | trans | -99.9 | 12.3 | 178.3 | 73.4 | 0 | 0 | 0 | 0 | 114 | W945 R946 | W945-S949 PolarHBondContact O-N 2.96Å; W945-S949 PolarHBondContact O-OG 3.02Å; R946-S949 PolarHBondContact O-OG 3.09Å | ||
| 950 | T | 28.7 | Very low | 33.2 | Very low | 167 Ų | 167 | 109.6 Ų | 109.6 | 100% | 1.025 | 62% | 0.619 | S | S | * | * | trans | -119.8 | 0 | 167.5 | 53.9 | 0 | 0 | 0 | 0 | 108.1 |
Retrieved 950 of 950 residues in 1407.5 ms
(Link to these results)