| 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 | G | 41.8 | Very low | 60.3 | Low | 79 Ų | 79 | 94.2 Ų | 94.2 | 81% | 0.814 | 59% | 0.587 | S | S | * | * | 0 | 169.8 | 0 | 0 | 0 | 0 | 0 | 0 | 111.1 | I3 T4 A5 | G1-I3 PolarHBondContact O-N 3.44Å; G1-T4 PolarHBondContact N-OG1 3.18Å; G1-T4 PolarHBondContact O-N 3.39Å; G1-T4 VanDerWaalsContact O-N 3.12Å; G1-T4 PolarHBondContact O-OG1 3.38Å; G1-A5 PolarHBondContact O-N 3.22Å | |||
| 2 | P | 49.1 | Very low | 62.2 | Low | 115 Ų | 115 | 92.3 Ų | 92.3 | 75% | 0.747 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -57.8 | -32.7 | -179.4 | 18.7 | -29.2 | 0 | 0 | 0 | 113.2 | T4 A5 M6 | P2-T4 PolarHBondContact O-N 3.3Å; P2-A5 PolarHBondContact O-N 3.33Å; P2-M6 WeakPolarHBondContact O-CB 3.43Å; P2-M6 PolarHBondContact O-N 3.15Å |
| 3 | I | 49.6 | Very low | 64 | Low | 140 Ų | 140 | 92.8 Ų | 92.8 | 72% | 0.718 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -64.8 | -39.8 | 177.1 | -56.4 | 173.6 | 0 | 0 | 0 | 112.1 | G1 S7 | G1-I3 PolarHBondContact O-N 3.44Å; I3-S7 PolarHBondContact O-N 3.44Å; I3-S7 VanDerWaalsContact O-N 3.08Å |
| 4 | T | 55.5 | Low | 65.5 | Low | 90 Ų | 90 | 88.1 Ų | 88.1 | 55% | 0.552 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -73.7 | -27.8 | 177.4 | 48.9 | 0 | 0 | 0 | 0 | 112.9 | G1 P2 K8 | G1-T4 PolarHBondContact N-OG1 3.18Å; G1-T4 PolarHBondContact O-N 3.39Å; G1-T4 VanDerWaalsContact O-N 3.12Å; G1-T4 PolarHBondContact O-OG1 3.38Å; P2-T4 PolarHBondContact O-N 3.3Å; T4-K8 PolarHBondContact O-N 3.39Å |
| 5 | A | 53.7 | Low | 66.9 | Low | 65 Ų | 65 | 84.7 Ų | 84.7 | 54% | 0.537 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -74.7 | -41.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | G1 P2 K8 G9 | G1-A5 PolarHBondContact O-N 3.22Å; P2-A5 PolarHBondContact O-N 3.33Å; A5-K8 PolarHBondContact O-N 3.45Å; A5-G9 PolarHBondContact O-N 3.41Å |
| 6 | M | 54.7 | Low | 68.3 | Low | 148 Ų | 148 | 88.7 Ų | 88.7 | 73% | 0.729 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -63.1 | -40.3 | 175.3 | -163.4 | 177 | 87.7 | 0 | 0 | 112 | P2 G9 C10 | P2-M6 WeakPolarHBondContact O-CB 3.43Å; P2-M6 PolarHBondContact O-N 3.15Å; M6-G9 PolarHBondContact O-N 3.48Å; M6-C10 WeakPolarHBondContact O-CB 3.49Å; M6-C10 PolarHBondContact O-N 3.16Å |
| 7 | S | 62.2 | Low | 69.6 | Low | 67 Ų | 67 | 90.1 Ų | 90.1 | 47% | 0.469 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -63.7 | -40.5 | 175.1 | -177.6 | 0 | 0 | 0 | 0 | 112.9 | I3 I11 | I3-S7 PolarHBondContact O-N 3.44Å; I3-S7 VanDerWaalsContact O-N 3.08Å; S7-I11 WeakPolarHBondContact O-CD1 3.18Å; S7-I11 VanDerWaalsContact O-CG1 3.27Å; S7-I11 WeakPolarHBondContact O-CG1 3.42Å; S7-I11 PolarHBondContact O-N 3.31Å |
| 8 | K | 68.7 | Low | 70.7 | Confident | 157 Ų | 157 | 85.1 Ų | 85.1 | 68% | 0.683 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -67.2 | -44.1 | 177.1 | -76.8 | -175.7 | 176.2 | -170.6 | 0 | 111.8 | T4 A5 C10 I11 T12 | T4-K8 PolarHBondContact O-N 3.39Å; A5-K8 PolarHBondContact O-N 3.45Å; K8-C10 PolarHBondContact O-N 3.22Å; K8-I11 PolarHBondContact O-N 3.5Å; K8-T12 PolarHBondContact O-N 3.31Å; K8-T12 VanDerWaalsContact O-N 3.08Å; K8-T12 PolarHBondContact O-OG1 2.72Å; K8-T12 VanDerWaalsContact O-OG1 3.08Å |
| 9 | G | 72.1 | Confident | 71.9 | Confident | 35 Ų | 35 | 83.3 Ų | 83.3 | 36% | 0.361 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -60.4 | -42.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113 | A5 M6 I11 T12 V13 | A5-G9 PolarHBondContact O-N 3.41Å; M6-G9 PolarHBondContact O-N 3.48Å; G9-I11 PolarHBondContact O-N 3.08Å; G9-T12 PolarHBondContact O-N 2.69Å; G9-V13 WeakPolarHBondContact O-CG2 3.47Å; G9-V13 PolarHBondContact O-N 3.32Å |
| 10 | C | 77.3 | Confident | 72.9 | Confident | 80 Ų | 80 | 84.1 Ų | 84.1 | 54% | 0.541 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -62.7 | -39.3 | 177.7 | -171 | 0 | 0 | 0 | 0 | 112.9 | M6 K8 V13 T14 | M6-C10 WeakPolarHBondContact O-CB 3.49Å; M6-C10 PolarHBondContact O-N 3.16Å; K8-C10 PolarHBondContact O-N 3.22Å; C10-V13 PolarHBondContact O-N 2.99Å; C10-T14 WeakPolarHBondContact O-CB 3.47Å; C10-T14 PolarHBondContact O-N 3.4Å; C10-T14 PolarHBondContact O-OG1 3.03Å |
| 11 | I | 78.9 | Confident | 73.8 | Confident | 60 Ų | 60 | 82.4 Ų | 82.4 | 31% | 0.308 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -66.3 | -43.2 | 176.2 | -66.6 | 161 | 0 | 0 | 0 | 110.6 | S7 K8 G9 V13 T14 K15 L246 | S7-I11 WeakPolarHBondContact O-CD1 3.18Å; S7-I11 VanDerWaalsContact O-CG1 3.27Å; S7-I11 WeakPolarHBondContact O-CG1 3.42Å; S7-I11 PolarHBondContact O-N 3.31Å; K8-I11 PolarHBondContact O-N 3.5Å; G9-I11 PolarHBondContact O-N 3.08Å; I11-V13 PolarHBondContact O-N 3.28Å; I11-T14 WeakPolarHBondContact O-CB 3.18Å; I11-T14 PolarHBondContact O-N 2.91Å; I11-K15 WeakPolarHBondContact O-CB 3.46Å; I11-K15 PolarHBondContact O-N 3.05Å; I11-L246 HydrophobicContact CG2-CD1 4.21Å |
| 12 | T | 83 | Confident | 76.3 | Confident | 72 Ų | 72 | 78.8 Ų | 78.8 | 44% | 0.442 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -61.3 | -44.4 | 176.1 | -54 | 0 | 0 | 0 | 0 | 111.7 | K8 G9 T14 K15 Y16 | K8-T12 PolarHBondContact O-N 3.31Å; K8-T12 VanDerWaalsContact O-N 3.08Å; K8-T12 PolarHBondContact O-OG1 2.72Å; K8-T12 VanDerWaalsContact O-OG1 3.08Å; G9-T12 PolarHBondContact O-N 2.69Å; T12-T14 PolarHBondContact O-N 3.45Å; T12-K15 WeakPolarHBondContact O-CB 3.46Å; T12-K15 PolarHBondContact O-N 3.35Å; T12-Y16 HydrophobicContact CG2-CD2 3.79Å; T12-Y16 HydrophobicContact CG2-CE2 3.55Å; T12-Y16 WeakPolarHBondContact O-CD2 3.4Å; T12-Y16 PolarHBondContact O-N 2.97Å; T12-Y16 VanDerWaalsContact O-N 3.12Å |
| 13 | V | 85.3 | Confident | 78.5 | Confident | 99 Ų | 99 | 76.1 Ų | 76.1 | 60% | 0.6 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -61.5 | -45.4 | 175.4 | 172.5 | 0 | 0 | 0 | 0 | 110.9 | G9 C10 I11 K15 Y16 F17 | G9-V13 WeakPolarHBondContact O-CG2 3.47Å; G9-V13 PolarHBondContact O-N 3.32Å; C10-V13 PolarHBondContact O-N 2.99Å; I11-V13 PolarHBondContact O-N 3.28Å; V13-K15 VanDerWaalsContact C-N 3.32Å; V13-K15 PolarHBondContact O-N 3.44Å; V13-Y16 PolarHBondContact O-N 3.12Å; V13-F17 VanDerWaalsContact O-CB 3.22Å; V13-F17 WeakPolarHBondContact O-CB 3.36Å; V13-F17 PolarHBondContact O-N 3.26Å |
| 14 | T | 84.6 | Confident | 80.7 | Confident | 26 Ų | 26 | 73.2 Ų | 73.2 | 16% | 0.16 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -58.2 | -43.6 | 177.5 | -61.7 | 0 | 0 | 0 | 0 | 111.7 | C10 I11 T12 L18 L242 | C10-T14 WeakPolarHBondContact O-CB 3.47Å; C10-T14 PolarHBondContact O-N 3.4Å; C10-T14 PolarHBondContact O-OG1 3.03Å; I11-T14 WeakPolarHBondContact O-CB 3.18Å; I11-T14 PolarHBondContact O-N 2.91Å; T12-T14 PolarHBondContact O-N 3.45Å; T14-L18 VanDerWaalsContact O-CB 3.26Å; T14-L18 WeakPolarHBondContact O-CB 3.48Å; T14-L18 PolarHBondContact O-N 3.26Å; T14-L242 HydrophobicContact CG2-CB 4.49Å; T14-L242 HydrophobicContact CG2-CD2 3.83Å |
| 15 | K | 87.4 | Confident | 82.5 | Confident | 37 Ų | 37 | 72.3 Ų | 72.3 | 16% | 0.161 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -59.3 | -53.8 | 177.3 | 175 | 177.1 | 178.7 | 164.9 | 0 | 112 | I11 T12 V13 F17 L18 F19 A82 I83 E85 L246 | I11-K15 WeakPolarHBondContact O-CB 3.46Å; I11-K15 PolarHBondContact O-N 3.05Å; T12-K15 WeakPolarHBondContact O-CB 3.46Å; T12-K15 PolarHBondContact O-N 3.35Å; V13-K15 VanDerWaalsContact C-N 3.32Å; V13-K15 PolarHBondContact O-N 3.44Å; K15-F17 VanDerWaalsContact C-N 3.35Å; K15-L18 PolarHBondContact O-N 3Å; K15-F19 WeakPolarHBondContact O-CB 3.24Å; K15-F19 PolarHBondContact O-N 3.2Å; K15-A82 WeakPolarHBondContact CE-O 3.36Å; K15-I83 VanDerWaalsContact CE-O 3.29Å; K15-I83 WeakPolarHBondContact CE-O 3.19Å; K15-I83 PolarHBondContact NZ-O 2.88Å; K15-E85 IonicContact NZ-OE1 3.39Å; K15-E85 PolarHBondContact NZ-OE1 3.26Å; K15-L246 HydrophobicContact CB-CD1 4.1Å |
| 16 | Y | 89.7 | Confident | 84.5 | Confident | 149 Ų | 149 | 72.3 Ų | 72.3 | 58% | 0.584 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -69.1 | -34.5 | -178.3 | -74.1 | -68.5 | 0 | 0 | 0 | 112.5 | T12 V13 F19 L20 | T12-Y16 HydrophobicContact CG2-CD2 3.79Å; T12-Y16 HydrophobicContact CG2-CE2 3.55Å; T12-Y16 WeakPolarHBondContact O-CD2 3.4Å; T12-Y16 PolarHBondContact O-N 2.97Å; T12-Y16 VanDerWaalsContact O-N 3.12Å; V13-Y16 PolarHBondContact O-N 3.12Å; Y16-F19 PolarHBondContact O-N 3.34Å; Y16-L20 WeakPolarHBondContact O-CB 3.45Å; Y16-L20 PolarHBondContact O-N 3.04Å |
| 17 | F | 89.6 | Confident | 86.6 | Confident | 113 Ų | 113 | 69.1 Ų | 69.1 | 50% | 0.496 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -64.3 | -48.1 | 174 | -177.6 | -97 | 0 | 0 | 0 | 111.5 | V13 K15 F19 L20 F21 L242 | V13-F17 VanDerWaalsContact O-CB 3.22Å; V13-F17 WeakPolarHBondContact O-CB 3.36Å; V13-F17 PolarHBondContact O-N 3.26Å; K15-F17 VanDerWaalsContact C-N 3.35Å; F17-F19 VanDerWaalsContact C-N 3.32Å; F17-F19 PolarHBondContact O-N 3.45Å; F17-L20 PolarHBondContact O-N 3.04Å; F17-F21 VanDerWaalsContact O-CB 3.28Å; F17-F21 WeakPolarHBondContact O-CB 3.43Å; F17-F21 PolarHBondContact O-N 3.36Å; F17-L242 HydrophobicContact CD1-CD1 3.85Å; F17-L242 HydrophobicContact CE1-CD1 3.85Å |
| 18 | L | 89.9 | Confident | 88.2 | Confident | 0 Ų | 0 | 71.6 Ų | 71.6 | 0% | 0 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -62.4 | -40 | 177.4 | -174 | 64.3 | 0 | 0 | 0 | 111.5 | T14 K15 N22 A82 L90 L242 L246 | T14-L18 VanDerWaalsContact O-CB 3.26Å; T14-L18 WeakPolarHBondContact O-CB 3.48Å; T14-L18 PolarHBondContact O-N 3.26Å; K15-L18 PolarHBondContact O-N 3Å; L18-N22 VanDerWaalsContact CD1-ND2 3.31Å; L18-N22 WeakPolarHBondContact CD1-ND2 3.47Å; L18-N22 WeakPolarHBondContact O-CB 3.32Å; L18-N22 PolarHBondContact O-N 3.35Å; L18-N22 PolarHBondContact O-ND2 3.48Å; L18-A82 HydrophobicContact CB-CB 4.44Å; L18-A82 HydrophobicContact CD2-CB 4.13Å; L18-A82 HydrophobicContact CG-CB 4.27Å; L18-L90 HydrophobicContact CD2-CD2 4.19Å; L18-L242 HydrophobicContact CD1-CB 3.96Å; L18-L242 HydrophobicContact CD1-CD1 4.35Å; L18-L242 HydrophobicContact CD2-CB 4.49Å; L18-L246 HydrophobicContact CD2-CD2 4.08Å |
| 19 | F | 92.8 | Very high | 89.5 | Confident | 51 Ų | 51 | 64.1 Ų | 64.1 | 22% | 0.224 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -62.1 | -52.7 | 173.8 | 170 | -106.6 | 0 | 0 | 0 | 111.9 | K15 Y16 F17 F21 N22 L23 C79 A82 I83 | K15-F19 WeakPolarHBondContact O-CB 3.24Å; K15-F19 PolarHBondContact O-N 3.2Å; Y16-F19 PolarHBondContact O-N 3.34Å; F17-F19 VanDerWaalsContact C-N 3.32Å; F17-F19 PolarHBondContact O-N 3.45Å; F19-F21 VanDerWaalsContact C-N 3.31Å; F19-F21 PolarHBondContact O-N 2.75Å; F19-N22 PolarHBondContact O-N 3.06Å; F19-L23 HydrophobicContact CE1-CD2 4.19Å; F19-L23 HydrophobicContact CZ-CD2 4.05Å; F19-L23 WeakPolarHBondContact O-CB 3.29Å; F19-L23 PolarHBondContact O-N 3.3Å; F19-C79 HydrophobicContact CD2-CB 3.86Å; F19-C79 HydrophobicContact CE2-CB 3.92Å; F19-A82 HydrophobicContact CB-CB 4.33Å; F19-I83 HydrophobicContact CB-CG1 4.36Å; F19-I83 HydrophobicContact CD1-CD1 4.24Å; F19-I83 HydrophobicContact CD2-CD1 3.28Å; F19-I83 HydrophobicContact CD2-CG1 3.51Å; F19-I83 HydrophobicContact CE1-CD1 4.11Å; F19-I83 HydrophobicContact CE2-CD1 3.13Å; F19-I83 HydrophobicContact CE2-CG1 3.94Å; F19-I83 HydrophobicContact CG-CD1 3.85Å; F19-I83 HydrophobicContact CG-CG1 3.88Å; F19-I83 HydrophobicContact CZ-CD1 3.57Å |
| 20 | L | 93.3 | Very high | 90.7 | Very high | 99 Ų | 99 | 64 Ų | 64 | 52% | 0.518 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -59.5 | -44.5 | -178.9 | 178.6 | 63.9 | 0 | 0 | 0 | 111.2 | Y16 F17 L23 L24 | Y16-L20 WeakPolarHBondContact O-CB 3.45Å; Y16-L20 PolarHBondContact O-N 3.04Å; F17-L20 PolarHBondContact O-N 3.04Å; L20-L23 WeakPolarHBondContact O-CB 3.28Å; L20-L23 PolarHBondContact O-N 2.92Å; L20-L24 WeakPolarHBondContact O-CG 3.27Å; L20-L24 PolarHBondContact O-N 2.58Å; L20-L24 VanDerWaalsContact O-N 3.07Å |
| 21 | F | 91.4 | Very high | 91.7 | Very high | 49 Ų | 49 | 65.4 Ų | 65.4 | 22% | 0.215 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -60.3 | -51.4 | 178.5 | -170.3 | -110.8 | 0 | 0 | 0 | 111.3 | F17 F19 L23 L24 F25 V235 | F17-F21 VanDerWaalsContact O-CB 3.28Å; F17-F21 WeakPolarHBondContact O-CB 3.43Å; F17-F21 PolarHBondContact O-N 3.36Å; F19-F21 VanDerWaalsContact C-N 3.31Å; F19-F21 PolarHBondContact O-N 2.75Å; F21-L23 VanDerWaalsContact C-N 3.27Å; F21-L23 PolarHBondContact O-N 3.04Å; F21-L24 WeakPolarHBondContact O-CB 3.32Å; F21-L24 PolarHBondContact O-N 3.48Å; F21-L24 VanDerWaalsContact O-N 3.15Å; F21-F25 AromaticContact CD1-CD2 3.96Å; F21-F25 HydrophobicContact CD1-CD2 3.96Å; F21-F25 AromaticContact CD1-CE2 3.62Å; F21-F25 HydrophobicContact CD1-CE2 3.62Å; F21-F25 AromaticContact CD2-CE2 4Å; F21-F25 HydrophobicContact CD2-CE2 4Å; F21-F25 AromaticContact CE1-CD2 3.96Å; F21-F25 HydrophobicContact CE1-CD2 3.96Å; F21-F25 AromaticContact CE1-CE2 3.22Å; F21-F25 HydrophobicContact CE1-CE2 3.22Å; F21-F25 AromaticContact CE1-CZ 4Å; F21-F25 HydrophobicContact CE1-CZ 4Å; F21-F25 AromaticContact CE2-CE2 3.63Å; F21-F25 HydrophobicContact CE2-CE2 3.63Å; F21-F25 HydrophobicContact CE2-CZ 4.26Å; F21-F25 HydrophobicContact CG-CD2 4.37Å; F21-F25 HydrophobicContact CG-CE2 4.01Å; F21-F25 HydrophobicContact CZ-CD2 4.34Å; F21-F25 AromaticContact CZ-CE2 3.25Å; F21-F25 HydrophobicContact CZ-CE2 3.25Å; F21-F25 AromaticContact CZ-CZ 3.75Å; F21-F25 HydrophobicContact CZ-CZ 3.75Å; F21-F25 WeakPolarHBondContact O-CD2 3.35Å; F21-F25 PolarHBondContact O-N 3.25Å; F21-V235 HydrophobicContact CE1-CG1 3.89Å; F21-V235 HydrophobicContact CZ-CB 4.42Å; F21-V235 HydrophobicContact CZ-CG1 3.55Å; F21-V235 HydrophobicContact CZ-CG2 4.23Å |
| 22 | N | 93.6 | Very high | 92.5 | Very high | 2 Ų | 2 | 65.5 Ų | 65.5 | 1% | 0.011 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -65.4 | -29.6 | 178.2 | -78.6 | -70.6 | 0 | 0 | 0 | 113.1 | L18 F19 L24 F25 F26 G75 C79 Y93 | L18-N22 VanDerWaalsContact CD1-ND2 3.31Å; L18-N22 WeakPolarHBondContact CD1-ND2 3.47Å; L18-N22 WeakPolarHBondContact O-CB 3.32Å; L18-N22 PolarHBondContact O-N 3.35Å; L18-N22 PolarHBondContact O-ND2 3.48Å; F19-N22 PolarHBondContact O-N 3.06Å; N22-L24 VanDerWaalsContact C-N 3.34Å; N22-F25 PolarHBondContact O-N 3.45Å; N22-F26 WeakPolarHBondContact O-CB 3.49Å; N22-F26 PolarHBondContact O-N 3.32Å; N22-G75 WeakPolarHBondContact O-CA 3.39Å; N22-C79 VanDerWaalsContact CB-SG 3.58Å; N22-Y93 PolarHBondContact ND2-OH 3.37Å; N22-Y93 WeakPolarHBondContact OD1-CE2 3.4Å; N22-Y93 VanDerWaalsContact OD1-CZ 3.26Å; N22-Y93 PolarHBondContact OD1-OH 2.92Å |
| 23 | L | 95.3 | Very high | 93.1 | Very high | 59 Ų | 59 | 64 Ų | 64 | 31% | 0.309 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -65.7 | -39.3 | 174.4 | -178.4 | 65.8 | 0 | 0 | 0 | 110.9 | F19 L20 F21 F26 I27 C79 | F19-L23 HydrophobicContact CE1-CD2 4.19Å; F19-L23 HydrophobicContact CZ-CD2 4.05Å; F19-L23 WeakPolarHBondContact O-CB 3.29Å; F19-L23 PolarHBondContact O-N 3.3Å; L20-L23 WeakPolarHBondContact O-CB 3.28Å; L20-L23 PolarHBondContact O-N 2.92Å; F21-L23 VanDerWaalsContact C-N 3.27Å; F21-L23 PolarHBondContact O-N 3.04Å; L23-F26 WeakPolarHBondContact O-CB 3.48Å; L23-F26 PolarHBondContact O-N 3.08Å; L23-I27 HydrophobicContact CG-CD1 4.21Å; L23-I27 WeakPolarHBondContact O-CG1 3.43Å; L23-I27 PolarHBondContact O-N 3.08Å; L23-C79 VanDerWaalsContact CA-SG 3.58Å; L23-C79 PolarHBondContact N-SG 3.26Å |
| 24 | L | 95 | Very high | 93.6 | Very high | 80 Ų | 80 | 61 Ų | 61 | 42% | 0.419 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -63.1 | -45.5 | 173.5 | -66.2 | 173.5 | 0 | 0 | 0 | 111.2 | L20 F21 N22 F26 I27 F28 | L20-L24 WeakPolarHBondContact O-CG 3.27Å; L20-L24 PolarHBondContact O-N 2.58Å; L20-L24 VanDerWaalsContact O-N 3.07Å; F21-L24 WeakPolarHBondContact O-CB 3.32Å; F21-L24 PolarHBondContact O-N 3.48Å; F21-L24 VanDerWaalsContact O-N 3.15Å; N22-L24 VanDerWaalsContact C-N 3.34Å; L24-F26 VanDerWaalsContact C-N 3.3Å; L24-F26 PolarHBondContact O-N 3.27Å; L24-I27 PolarHBondContact O-N 2.91Å; L24-F28 HydrophobicContact CB-CD2 4.43Å; L24-F28 HydrophobicContact CB-CE2 4.41Å; L24-F28 WeakPolarHBondContact O-CD2 3.43Å; L24-F28 PolarHBondContact O-N 3.31Å |
| 25 | F | 93.7 | Very high | 93.9 | Very high | 71 Ų | 71 | 65.6 Ų | 65.6 | 31% | 0.311 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -61.6 | -38.2 | 174.6 | -77.6 | -78.9 | 0 | 0 | 0 | 112.7 | F21 N22 F28 G29 T71 V235 | F21-F25 AromaticContact CD1-CD2 3.96Å; F21-F25 HydrophobicContact CD1-CD2 3.96Å; F21-F25 AromaticContact CD1-CE2 3.62Å; F21-F25 HydrophobicContact CD1-CE2 3.62Å; F21-F25 AromaticContact CD2-CE2 4Å; F21-F25 HydrophobicContact CD2-CE2 4Å; F21-F25 AromaticContact CE1-CD2 3.96Å; F21-F25 HydrophobicContact CE1-CD2 3.96Å; F21-F25 AromaticContact CE1-CE2 3.22Å; F21-F25 HydrophobicContact CE1-CE2 3.22Å; F21-F25 AromaticContact CE1-CZ 4Å; F21-F25 HydrophobicContact CE1-CZ 4Å; F21-F25 AromaticContact CE2-CE2 3.63Å; F21-F25 HydrophobicContact CE2-CE2 3.63Å; F21-F25 HydrophobicContact CE2-CZ 4.26Å; F21-F25 HydrophobicContact CG-CD2 4.37Å; F21-F25 HydrophobicContact CG-CE2 4.01Å; F21-F25 HydrophobicContact CZ-CD2 4.34Å; F21-F25 AromaticContact CZ-CE2 3.25Å; F21-F25 HydrophobicContact CZ-CE2 3.25Å; F21-F25 AromaticContact CZ-CZ 3.75Å; F21-F25 HydrophobicContact CZ-CZ 3.75Å; F21-F25 WeakPolarHBondContact O-CD2 3.35Å; F21-F25 PolarHBondContact O-N 3.25Å; N22-F25 PolarHBondContact O-N 3.45Å; F25-F28 PolarHBondContact O-N 3Å; F25-G29 PolarHBondContact O-N 3.44Å; F25-T71 HydrophobicContact CB-CG2 4.25Å; F25-T71 HydrophobicContact CD1-CG2 4.02Å; F25-V235 HydrophobicContact CZ-CG1 3.94Å |
| 26 | F | 97 | Very high | 94 | Very high | 65 Ų | 65 | 63.9 Ų | 63.9 | 29% | 0.285 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -59.3 | -48.8 | 174.6 | 176.2 | -95.1 | 0 | 0 | 0 | 111.3 | N22 L23 L24 G29 A30 M72 F76 | N22-F26 WeakPolarHBondContact O-CB 3.49Å; N22-F26 PolarHBondContact O-N 3.32Å; L23-F26 WeakPolarHBondContact O-CB 3.48Å; L23-F26 PolarHBondContact O-N 3.08Å; L24-F26 VanDerWaalsContact C-N 3.3Å; L24-F26 PolarHBondContact O-N 3.27Å; F26-G29 PolarHBondContact O-N 3.39Å; F26-A30 WeakPolarHBondContact O-CB 3.39Å; F26-A30 PolarHBondContact O-N 3.42Å; F26-M72 HydrophobicContact CD2-CG 3.51Å; F26-M72 WeakPolarHBondContact CD2-O 3.48Å; F26-M72 HydrophobicContact CE2-CG 3.39Å; F26-M72 HydrophobicContact CE2-SD 4.12Å; F26-M72 HydrophobicContact CG-CG 4.35Å; F26-M72 HydrophobicContact CZ-CG 4.17Å; F26-M72 HydrophobicContact CZ-SD 4.42Å; F26-F76 HydrophobicContact CD2-CB 3.96Å; F26-F76 HydrophobicContact CE2-CB 4.14Å; F26-F76 HydrophobicContact CE2-CD2 4.3Å |
| 27 | I | 97.4 | Very high | 94 | Very high | 80 Ų | 80 | 59.4 Ų | 59.4 | 41% | 0.41 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -63.9 | -47.5 | 178.8 | -66.2 | 166.2 | 0 | 0 | 0 | 110.7 | L23 L24 G29 A30 L31 | L23-I27 HydrophobicContact CG-CD1 4.21Å; L23-I27 WeakPolarHBondContact O-CG1 3.43Å; L23-I27 PolarHBondContact O-N 3.08Å; L24-I27 PolarHBondContact O-N 2.91Å; I27-G29 VanDerWaalsContact C-N 3.34Å; I27-G29 PolarHBondContact O-N 2.86Å; I27-A30 PolarHBondContact O-N 3.4Å; I27-L31 HydrophobicContact CG2-CD1 4.18Å; I27-L31 HydrophobicContact CG2-CG 4.47Å; I27-L31 WeakPolarHBondContact O-CG 3.31Å; I27-L31 PolarHBondContact O-N 2.75Å |
| 28 | F | 95.9 | Very high | 93.9 | Very high | 119 Ų | 119 | 61.8 Ų | 61.8 | 52% | 0.522 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -61.4 | -42.3 | 177.2 | -77.5 | -58.4 | 0 | 0 | 0 | 112.1 | L24 F25 A30 L31 I32 | L24-F28 HydrophobicContact CB-CD2 4.43Å; L24-F28 HydrophobicContact CB-CE2 4.41Å; L24-F28 WeakPolarHBondContact O-CD2 3.43Å; L24-F28 PolarHBondContact O-N 3.31Å; F25-F28 PolarHBondContact O-N 3Å; F28-A30 VanDerWaalsContact C-N 3.35Å; F28-A30 PolarHBondContact O-N 2.79Å; F28-L31 PolarHBondContact O-N 3.47Å; F28-I32 VanDerWaalsContact O-CG1 3.27Å; F28-I32 WeakPolarHBondContact O-CG1 3.4Å; F28-I32 PolarHBondContact O-N 3.31Å |
| 29 | G | 97.1 | Very high | 93.5 | Very high | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -60.5 | -43.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | F25 F26 I27 I32 M33 G68 | F25-G29 PolarHBondContact O-N 3.44Å; F26-G29 PolarHBondContact O-N 3.39Å; I27-G29 VanDerWaalsContact C-N 3.34Å; I27-G29 PolarHBondContact O-N 2.86Å; G29-I32 PolarHBondContact O-N 3.39Å; G29-M33 VanDerWaalsContact O-CB 3.24Å; G29-M33 WeakPolarHBondContact O-CB 3.34Å; G29-M33 PolarHBondContact O-N 2.99Å; G29-G68 CarbonylContact C-O 2.96Å; G29-G68 WeakPolarHBondContact CA-O 3.28Å; G29-G68 CarbonylContact O-C 3.58Å; G29-G68 WeakPolarHBondContact O-CA 3.29Å |
| 30 | A | 97.6 | Very high | 92.8 | Very high | 33 Ų | 33 | 61.7 Ų | 61.7 | 27% | 0.273 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -64.2 | -40 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | F26 I27 F28 G34 M72 | F26-A30 WeakPolarHBondContact O-CB 3.39Å; F26-A30 PolarHBondContact O-N 3.42Å; I27-A30 PolarHBondContact O-N 3.4Å; F28-A30 VanDerWaalsContact C-N 3.35Å; F28-A30 PolarHBondContact O-N 2.79Å; A30-G34 WeakPolarHBondContact O-CA 3.46Å; A30-G34 PolarHBondContact O-N 2.87Å; A30-M72 HydrophobicContact CB-CG 4.44Å; A30-M72 HydrophobicContact CB-SD 3.86Å |
| 31 | L | 97.4 | Very high | 92.1 | Very high | 110 Ų | 110 | 63.4 Ų | 63.4 | 58% | 0.576 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -65.1 | -46.2 | 175.4 | -70.7 | 173.9 | 0 | 0 | 0 | 111.8 | I27 F28 G34 F35 | I27-L31 HydrophobicContact CG2-CD1 4.18Å; I27-L31 HydrophobicContact CG2-CG 4.47Å; I27-L31 WeakPolarHBondContact O-CG 3.31Å; I27-L31 PolarHBondContact O-N 2.75Å; F28-L31 PolarHBondContact O-N 3.47Å; L31-G34 PolarHBondContact O-N 3.2Å; L31-F35 WeakPolarHBondContact O-CB 3.48Å; L31-F35 PolarHBondContact O-N 2.91Å |
| 32 | I | 96.2 | Very high | 91.1 | Very high | 62 Ų | 62 | 62.6 Ų | 62.6 | 32% | 0.318 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -63.2 | -46.7 | 178.2 | -67.7 | 165.9 | 0 | 0 | 0 | 110.5 | F28 G29 F35 G36 L64 | F28-I32 VanDerWaalsContact O-CG1 3.27Å; F28-I32 WeakPolarHBondContact O-CG1 3.4Å; F28-I32 PolarHBondContact O-N 3.31Å; G29-I32 PolarHBondContact O-N 3.39Å; I32-F35 PolarHBondContact O-N 3.46Å; I32-G36 PolarHBondContact O-N 2.95Å; I32-L64 HydrophobicContact CG2-CB 4.48Å; I32-L64 HydrophobicContact CG2-CD2 4.12Å; I32-L64 WeakPolarHBondContact CG2-O 3.24Å |
| 33 | M | 96.3 | Very high | 89.4 | Confident | 41 Ų | 41 | 69.6 Ų | 69.6 | 20% | 0.202 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -62 | -44.8 | 176.4 | -174.6 | -175.5 | 69.2 | 0 | 0 | 111 | G29 F35 G36 L37 I65 M72 | G29-M33 VanDerWaalsContact O-CB 3.24Å; G29-M33 WeakPolarHBondContact O-CB 3.34Å; G29-M33 PolarHBondContact O-N 2.99Å; M33-F35 VanDerWaalsContact C-N 3.33Å; M33-F35 PolarHBondContact O-N 3.44Å; M33-G36 PolarHBondContact O-N 2.89Å; M33-L37 HydrophobicContact CE-CD1 4.47Å; M33-L37 HydrophobicContact CG-CD1 4.08Å; M33-L37 HydrophobicContact CG-CG 4.43Å; M33-L37 VanDerWaalsContact O-CG 3.32Å; M33-L37 WeakPolarHBondContact O-CG 3.45Å; M33-L37 PolarHBondContact O-N 3.39Å; M33-I65 HydrophobicContact CG-CG2 4.42Å; M33-M72 HydrophobicContact CE-CE 3.57Å; M33-M72 HydrophobicContact CE-SD 3.75Å; M33-M72 HydrophobicContact SD-CE 3.8Å; M33-M72 HydrophobicContact SD-SD 4.47Å |
| 34 | G | 94.4 | Very high | 87.4 | Confident | 34 Ų | 34 | 75 Ų | 75 | 35% | 0.351 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -60.3 | -41.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | A30 L31 L37 W38 | A30-G34 WeakPolarHBondContact O-CA 3.46Å; A30-G34 PolarHBondContact O-N 2.87Å; L31-G34 PolarHBondContact O-N 3.2Å; G34-L37 PolarHBondContact O-N 2.86Å; G34-W38 WeakPolarHBondContact O-CB 3.19Å; G34-W38 PolarHBondContact O-N 3.2Å |
| 35 | F | 90.9 | Very high | 85.3 | Confident | 124 Ų | 124 | 75 Ų | 75 | 54% | 0.544 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -65.4 | -42.2 | 174 | -173 | -108.9 | 0 | 0 | 0 | 112.1 | L31 I32 M33 L37 W38 I39 L64 | L31-F35 WeakPolarHBondContact O-CB 3.48Å; L31-F35 PolarHBondContact O-N 2.91Å; I32-F35 PolarHBondContact O-N 3.46Å; M33-F35 VanDerWaalsContact C-N 3.33Å; M33-F35 PolarHBondContact O-N 3.44Å; F35-L37 PolarHBondContact O-N 3.37Å; F35-W38 WeakPolarHBondContact O-CB 3.41Å; F35-W38 PolarHBondContact O-N 3.47Å; F35-I39 HydrophobicContact CD1-CD1 3.72Å; F35-I39 HydrophobicContact CE1-CD1 3.33Å; F35-I39 HydrophobicContact CE1-CG1 4.34Å; F35-I39 HydrophobicContact CE2-CD1 4.43Å; F35-I39 HydrophobicContact CG-CD1 4.43Å; F35-I39 HydrophobicContact CZ-CD1 3.73Å; F35-I39 HydrophobicContact CZ-CG1 4.37Å; F35-I39 WeakPolarHBondContact O-CG1 3.37Å; F35-I39 PolarHBondContact O-N 3.26Å; F35-L64 HydrophobicContact CD1-CD1 4.07Å; F35-L64 HydrophobicContact CE1-CD1 4.36Å |
| 36 | G | 89.9 | Confident | 83.3 | Confident | 0 Ų | 0 | 80.7 Ų | 80.7 | 0% | 0 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -61.3 | -42.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | I32 M33 I39 L40 | I32-G36 PolarHBondContact O-N 2.95Å; M33-G36 PolarHBondContact O-N 2.89Å; G36-I39 PolarHBondContact O-N 3.48Å; G36-L40 WeakPolarHBondContact O-CB 3.48Å; G36-L40 PolarHBondContact O-N 2.94Å |
| 37 | L | 90.2 | Very high | 81.1 | Confident | 56 Ų | 56 | 79 Ų | 79 | 29% | 0.293 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -69.2 | -37.6 | 175.6 | -68.3 | 170.4 | 0 | 0 | 0 | 112.2 | M33 G34 F35 L40 F41 I65 | M33-L37 HydrophobicContact CE-CD1 4.47Å; M33-L37 HydrophobicContact CG-CD1 4.08Å; M33-L37 HydrophobicContact CG-CG 4.43Å; M33-L37 VanDerWaalsContact O-CG 3.32Å; M33-L37 WeakPolarHBondContact O-CG 3.45Å; M33-L37 PolarHBondContact O-N 3.39Å; G34-L37 PolarHBondContact O-N 2.86Å; F35-L37 PolarHBondContact O-N 3.37Å; L37-L40 CarbonylContact O-C 3.47Å; L37-L40 PolarHBondContact O-N 3.4Å; L37-L40 VanDerWaalsContact O-N 3.09Å; L37-F41 HydrophobicContact CB-CD2 4.22Å; L37-F41 HydrophobicContact CB-CE2 4.38Å; L37-F41 HydrophobicContact CD2-CD2 4.36Å; L37-F41 HydrophobicContact CD2-CE2 3.7Å; L37-F41 HydrophobicContact CD2-CZ 4.45Å; L37-F41 WeakPolarHBondContact O-CB 3.46Å; L37-F41 WeakPolarHBondContact O-CD2 3.19Å; L37-F41 PolarHBondContact O-N 2.96Å; L37-I65 HydrophobicContact CD2-CD1 3.76Å; L37-I65 HydrophobicContact CD2-CG1 4.1Å; L37-I65 HydrophobicContact CG-CD1 4.28Å; L37-I65 HydrophobicContact CG-CG1 4.17Å |
| 38 | W | 87.1 | Confident | 78.6 | Confident | 162 Ų | 162 | 76.5 Ų | 76.5 | 61% | 0.614 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -58.4 | -51.7 | 173.2 | -176.8 | -78.4 | 0 | 0 | 0 | 110.1 | G34 F35 L40 F41 D42 | G34-W38 WeakPolarHBondContact O-CB 3.19Å; G34-W38 PolarHBondContact O-N 3.2Å; F35-W38 WeakPolarHBondContact O-CB 3.41Å; F35-W38 PolarHBondContact O-N 3.47Å; W38-L40 PolarHBondContact O-N 3.16Å; W38-F41 PolarHBondContact O-N 3.45Å; W38-D42 PolarHBondContact NE1-OD2 2.91Å; W38-D42 WeakPolarHBondContact O-CB 3.26Å; W38-D42 PolarHBondContact O-N 3.35Å |
| 39 | I | 80.7 | Confident | 76.3 | Confident | 23 Ų | 23 | 76.3 Ų | 76.3 | 12% | 0.118 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -59.3 | -33.4 | 174.5 | -65.4 | 166.8 | 0 | 0 | 0 | 111.1 | F35 G36 I47 Q51 V57 L64 | F35-I39 HydrophobicContact CD1-CD1 3.72Å; F35-I39 HydrophobicContact CE1-CD1 3.33Å; F35-I39 HydrophobicContact CE1-CG1 4.34Å; F35-I39 HydrophobicContact CE2-CD1 4.43Å; F35-I39 HydrophobicContact CG-CD1 4.43Å; F35-I39 HydrophobicContact CZ-CD1 3.73Å; F35-I39 HydrophobicContact CZ-CG1 4.37Å; F35-I39 WeakPolarHBondContact O-CG1 3.37Å; F35-I39 PolarHBondContact O-N 3.26Å; G36-I39 PolarHBondContact O-N 3.48Å; I39-I47 HydrophobicContact CG1-CD1 4.11Å; I39-I47 HydrophobicContact CG2-CG2 4.34Å; I39-I47 WeakPolarHBondContact O-CG2 3.47Å; I39-Q51 PolarHBondContact O-NE2 3.33Å; I39-Q51 PolarHBondContact O-OE1 3Å; I39-Q51 VanDerWaalsContact O-OE1 3.07Å; I39-V57 HydrophobicContact CG2-CG1 3.81Å; I39-L64 HydrophobicContact CD1-CD1 4.19Å |
| 40 | L | 79.1 | Confident | 74 | Confident | 27 Ų | 27 | 80 Ų | 80 | 14% | 0.141 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -76.1 | -30.3 | -178.9 | -166.8 | 63.5 | 0 | 0 | 0 | 113.6 | G36 L37 W38 Q51 Y62 I65 | G36-L40 WeakPolarHBondContact O-CB 3.48Å; G36-L40 PolarHBondContact O-N 2.94Å; L37-L40 CarbonylContact O-C 3.47Å; L37-L40 PolarHBondContact O-N 3.4Å; L37-L40 VanDerWaalsContact O-N 3.09Å; W38-L40 PolarHBondContact O-N 3.16Å; L40-Q51 PolarHBondContact O-NE2 2.9Å; L40-Y62 HydrophobicContact CD1-CE1 4.19Å; L40-Y62 HydrophobicContact CD2-CD1 4.43Å; L40-Y62 HydrophobicContact CD2-CE1 3.82Å; L40-I65 HydrophobicContact CB-CD1 4.19Å; L40-I65 HydrophobicContact CD2-CD1 3.7Å |
| 41 | F | 77.6 | Confident | 71.5 | Confident | 134 Ų | 134 | 79.4 Ų | 79.4 | 59% | 0.588 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -116.2 | -10.6 | -169.5 | -64.9 | -47.6 | 0 | 0 | 0 | 115.6 | L37 W38 K43 | L37-F41 HydrophobicContact CB-CD2 4.22Å; L37-F41 HydrophobicContact CB-CE2 4.38Å; L37-F41 HydrophobicContact CD2-CD2 4.36Å; L37-F41 HydrophobicContact CD2-CE2 3.7Å; L37-F41 HydrophobicContact CD2-CZ 4.45Å; L37-F41 WeakPolarHBondContact O-CB 3.46Å; L37-F41 WeakPolarHBondContact O-CD2 3.19Å; L37-F41 PolarHBondContact O-N 2.96Å; W38-F41 PolarHBondContact O-N 3.45Å; F41-K43 PolarHBondContact O-N 3.36Å |
| 42 | D | 71.1 | Confident | 68.9 | Low | 32 Ų | 32 | 82.5 Ų | 82.5 | 17% | 0.171 | 41% | 0.409 | C | S | . | . | trans | -73.9 | 87.7 | 178.2 | -169.6 | 9.5 | 0 | 0 | 0 | 111.4 | W38 I47 A48 | W38-D42 PolarHBondContact NE1-OD2 2.91Å; W38-D42 WeakPolarHBondContact O-CB 3.26Å; W38-D42 PolarHBondContact O-N 3.35Å; D42-I47 HydrophobicContact CB-CB 4.33Å; D42-I47 HydrophobicContact CB-CD1 4.47Å; D42-A48 PolarHBondContact O-N 2.9Å | ||
| 43 | K | 56.7 | Low | 66.5 | Low | 150 Ų | 150 | 82.4 Ų | 82.4 | 65% | 0.652 | 41% | 0.414 | S | S | * | . | trans | -92 | -2.1 | -176.5 | -68.5 | -175.3 | -179.9 | -174.9 | 0 | 114.7 | F41 A48 | F41-K43 PolarHBondContact O-N 3.36Å; K43-A48 VanDerWaalsContact C-CB 3.44Å; K43-A48 WeakPolarHBondContact O-CB 3.33Å | ||
| 44 | E | 55.1 | Low | 64.5 | Low | 173 Ų | 173 | 80.5 Ų | 80.5 | 81% | 0.808 | 40% | 0.404 | S | S | * | . | S | Bend | trans | -126.3 | -1.5 | -167.9 | -71.9 | -67.4 | 154.6 | 0 | 0 | 114.2 | ||
| 45 | S | 50.3 | Low | 62.9 | Low | 78 Ų | 78 | 84.8 Ų | 84.8 | 55% | 0.545 | 42% | 0.419 | S | S | . | . | S | Bend | trans | -152.3 | 105.1 | -177.9 | -59.9 | 0 | 0 | 0 | 0 | 111.1 | I47 | S45-I47 PolarHBondContact O-N 3.46Š|
| 46 | F | 52 | Low | 61.5 | Low | 192 Ų | 192 | 81.7 Ų | 81.7 | 84% | 0.842 | 41% | 0.41 | S | S | * | . | S | Bend | trans | 70.3 | -39.3 | 171.3 | -132.9 | -95.9 | 0 | 0 | 0 | 117.3 | ||
| 47 | I | 49.7 | Very low | 60.4 | Low | 29 Ų | 29 | 83.8 Ų | 83.8 | 15% | 0.149 | 42% | 0.423 | C | S | . | . | S | Bend | trans | -86.3 | -29.1 | -177.6 | -62.6 | -172.3 | 0 | 0 | 0 | 112.8 | I39 D42 S45 V49 L50 Q51 | I39-I47 HydrophobicContact CG1-CD1 4.11Å; I39-I47 HydrophobicContact CG2-CG2 4.34Å; I39-I47 WeakPolarHBondContact O-CG2 3.47Å; D42-I47 HydrophobicContact CB-CB 4.33Å; D42-I47 HydrophobicContact CB-CD1 4.47Å; S45-I47 PolarHBondContact O-N 3.46Å; I47-V49 PolarHBondContact O-N 3.33Å; I47-V49 VanDerWaalsContact O-N 3.17Å; I47-L50 CarbonylContact O-C 3.59Å; I47-L50 WeakPolarHBondContact O-CA 3.46Å; I47-L50 WeakPolarHBondContact O-CB 3.34Å; I47-L50 PolarHBondContact O-N 3.34Å; I47-Q51 HydrophobicContact CG2-CB 4.35Å; I47-Q51 WeakPolarHBondContact O-CB 3.49Å; I47-Q51 PolarHBondContact O-N 3.49Å |
| 48 | A | 44.6 | Very low | 59.7 | Low | 27 Ų | 27 | 84.4 Ų | 84.4 | 22% | 0.223 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -53.8 | -36.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | D42 K43 Q51 E52 | D42-A48 PolarHBondContact O-N 2.9Å; K43-A48 VanDerWaalsContact C-CB 3.44Å; K43-A48 WeakPolarHBondContact O-CB 3.33Å; A48-Q51 PolarHBondContact O-N 3.38Å; A48-E52 PolarHBondContact O-N 3.39Å; A48-E52 VanDerWaalsContact O-N 3.08Å |
| 49 | V | 48.2 | Very low | 59.3 | Low | 116 Ų | 116 | 80.7 Ų | 80.7 | 70% | 0.703 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -73.2 | -30.7 | 177.4 | 178.9 | 0 | 0 | 0 | 0 | 111.7 | I47 S53 | I47-V49 PolarHBondContact O-N 3.33Å; I47-V49 VanDerWaalsContact O-N 3.17Å; V49-S53 PolarHBondContact O-OG 2.92Å |
| 50 | L | 49.6 | Very low | 59.3 | Low | 78 Ų | 78 | 81.8 Ų | 81.8 | 41% | 0.408 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -75 | -40.3 | 172 | -69.9 | 165.4 | 0 | 0 | 0 | 110.4 | I47 S53 S54 | I47-L50 CarbonylContact O-C 3.59Å; I47-L50 WeakPolarHBondContact O-CA 3.46Å; I47-L50 WeakPolarHBondContact O-CB 3.34Å; I47-L50 PolarHBondContact O-N 3.34Å; L50-S53 PolarHBondContact O-N 2.94Å; L50-S54 PolarHBondContact O-N 3.26Å; L50-S54 VanDerWaalsContact O-N 3.08Å; L50-S54 PolarHBondContact O-OG 2.8Å |
| 51 | Q | 44 | Very low | 59.6 | Low | 19 Ų | 19 | 80.6 Ų | 80.6 | 9% | 0.089 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -85.5 | -27.8 | -164.5 | -166.3 | 164.8 | 22.8 | 0 | 0 | 115.6 | I39 L40 I47 A48 S53 K58 | I39-Q51 PolarHBondContact O-NE2 3.33Å; I39-Q51 PolarHBondContact O-OE1 3Å; I39-Q51 VanDerWaalsContact O-OE1 3.07Å; L40-Q51 PolarHBondContact O-NE2 2.9Å; I47-Q51 HydrophobicContact CG2-CB 4.35Å; I47-Q51 WeakPolarHBondContact O-CB 3.49Å; I47-Q51 PolarHBondContact O-N 3.49Å; A48-Q51 PolarHBondContact O-N 3.38Å; Q51-S53 PolarHBondContact O-N 3.33Å; Q51-K58 WeakPolarHBondContact O-CE 3.29Å; Q51-K58 PolarHBondContact O-NZ 3.45Å |
| 52 | E | 42.4 | Very low | 60.2 | Low | 176 Ų | 176 | 80.8 Ų | 80.8 | 82% | 0.822 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | -27.1 | 166.3 | -84.2 | -85.1 | 130.1 | 0 | 0 | 111.3 | A48 | A48-E52 PolarHBondContact O-N 3.39Å; A48-E52 VanDerWaalsContact O-N 3.08Å |
| 53 | S | 46.4 | Very low | 61.1 | Low | 60 Ų | 60 | 84.1 Ų | 84.1 | 42% | 0.42 | 44% | 0.439 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.8 | -11.8 | -171.5 | -41.3 | 0 | 0 | 0 | 0 | 114.3 | V49 L50 Q51 T139 | V49-S53 PolarHBondContact O-OG 2.92Å; L50-S53 PolarHBondContact O-N 2.94Å; Q51-S53 PolarHBondContact O-N 3.33Å; S53-T139 WeakPolarHBondContact O-CG2 3.49Å |
| 54 | S | 55.2 | Low | 62.9 | Low | 1 Ų | 1 | 79.7 Ų | 79.7 | 1% | 0.007 | 42% | 0.423 | C | S | . | . | trans | -113.2 | 123.8 | -175.4 | 20.5 | 0 | 0 | 0 | 0 | 118 | L50 V57 K58 T139 | L50-S54 PolarHBondContact O-N 3.26Å; L50-S54 VanDerWaalsContact O-N 3.08Å; L50-S54 PolarHBondContact O-OG 2.8Å; S54-V57 WeakPolarHBondContact OG-CB 3.46Å; S54-V57 VanDerWaalsContact OG-CG2 3.24Å; S54-V57 WeakPolarHBondContact OG-CG2 3.44Å; S54-K58 VanDerWaalsContact O-CD 3.27Å; S54-K58 WeakPolarHBondContact O-CD 3.37Å; S54-K58 VanDerWaalsContact O-CG 3.25Å; S54-K58 WeakPolarHBondContact O-CG 3.27Å; S54-T139 WeakPolarHBondContact CA-OG1 3.47Å; S54-T139 WeakPolarHBondContact CB-OG1 3.24Å; S54-T139 WeakPolarHBondContact OG-CG2 3.44Å | ||
| 55 | D | 60.5 | Low | 64.7 | Low | 124 Ų | 124 | 72.9 Ų | 72.9 | 66% | 0.663 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -78.1 | -32 | 153.3 | -65 | -32.8 | 0 | 0 | 0 | 111.5 | K58 V59 | D55-K58 PolarHBondContact O-N 2.89Å; D55-V59 VanDerWaalsContact O-CG2 3.23Å; D55-V59 WeakPolarHBondContact O-CG2 3.38Å; D55-V59 PolarHBondContact O-N 3.27Å |
| 56 | T | 60.8 | Low | 66.9 | Low | 58 Ų | 58 | 70.9 Ų | 70.9 | 36% | 0.356 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -72.8 | -42.4 | -175.2 | -44.5 | 0 | 0 | 0 | 0 | 113.8 | K58 V59 A60 | T56-K58 VanDerWaalsContact C-N 3.31Å; T56-V59 PolarHBondContact O-N 2.96Å; T56-A60 WeakPolarHBondContact O-CB 3.28Å; T56-A60 PolarHBondContact O-N 2.9Å |
| 57 | V | 68.3 | Low | 69 | Low | 45 Ų | 45 | 65.4 Ų | 65.4 | 27% | 0.273 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -68.4 | -34.5 | 175.6 | -176.7 | 0 | 0 | 0 | 0 | 110.5 | I39 S54 A60 S61 | I39-V57 HydrophobicContact CG2-CG1 3.81Å; S54-V57 WeakPolarHBondContact OG-CB 3.46Å; S54-V57 VanDerWaalsContact OG-CG2 3.24Å; S54-V57 WeakPolarHBondContact OG-CG2 3.44Å; V57-A60 PolarHBondContact O-N 3.32Å; V57-S61 WeakPolarHBondContact O-CB 3.35Å; V57-S61 PolarHBondContact O-N 2.83Å; V57-S61 PolarHBondContact O-OG 2.74Å |
| 58 | K | 73.6 | Confident | 71.2 | Confident | 69 Ų | 69 | 64 Ų | 64 | 30% | 0.3 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -62.3 | -45.9 | 170.4 | -74.4 | 176.7 | -171 | 160.8 | 0 | 111.6 | Q51 S54 D55 T56 A60 S61 Y62 | Q51-K58 WeakPolarHBondContact O-CE 3.29Å; Q51-K58 PolarHBondContact O-NZ 3.45Å; S54-K58 VanDerWaalsContact O-CD 3.27Å; S54-K58 WeakPolarHBondContact O-CD 3.37Å; S54-K58 VanDerWaalsContact O-CG 3.25Å; S54-K58 WeakPolarHBondContact O-CG 3.27Å; D55-K58 PolarHBondContact O-N 2.89Å; T56-K58 VanDerWaalsContact C-N 3.31Å; K58-A60 VanDerWaalsContact C-N 3.35Å; K58-A60 PolarHBondContact O-N 3.47Å; K58-S61 WeakPolarHBondContact CA-OG 3.47Å; K58-S61 PolarHBondContact O-N 2.92Å; K58-S61 PolarHBondContact O-OG 3.5Å; K58-Y62 HydrophobicContact CB-CD2 4.49Å; K58-Y62 HydrophobicContact CB-CE2 4.22Å; K58-Y62 WeakPolarHBondContact O-CB 3.41Å; K58-Y62 WeakPolarHBondContact O-CD2 3.44Å; K58-Y62 PolarHBondContact O-N 3.48Å |
| 59 | V | 78.9 | Confident | 73.7 | Confident | 83 Ų | 83 | 65 Ų | 65 | 50% | 0.503 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -60.6 | -45.3 | 174.8 | 170.1 | 0 | 0 | 0 | 0 | 110.8 | D55 T56 S61 Y62 I63 | D55-V59 VanDerWaalsContact O-CG2 3.23Å; D55-V59 WeakPolarHBondContact O-CG2 3.38Å; D55-V59 PolarHBondContact O-N 3.27Å; T56-V59 PolarHBondContact O-N 2.96Å; V59-S61 PolarHBondContact O-N 3.12Å; V59-Y62 PolarHBondContact O-N 3.29Å; V59-I63 HydrophobicContact CG1-CD1 3.9Å; V59-I63 VanDerWaalsContact O-CG1 3.27Å; V59-I63 WeakPolarHBondContact O-CG1 3.32Å; V59-I63 PolarHBondContact O-N 2.91Å |
| 60 | A | 81.3 | Confident | 75.9 | Confident | 47 Ų | 47 | 64 Ų | 64 | 39% | 0.388 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -62.3 | -41.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | T56 V57 K58 I63 L64 | T56-A60 WeakPolarHBondContact O-CB 3.28Å; T56-A60 PolarHBondContact O-N 2.9Å; V57-A60 PolarHBondContact O-N 3.32Å; K58-A60 VanDerWaalsContact C-N 3.35Å; K58-A60 PolarHBondContact O-N 3.47Å; A60-I63 PolarHBondContact O-N 3.36Å; A60-L64 WeakPolarHBondContact O-CG 3.26Å; A60-L64 PolarHBondContact O-N 3.42Å |
| 61 | S | 86 | Confident | 78.1 | Confident | 2 Ų | 2 | 62.1 Ų | 62.1 | 1% | 0.014 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -67.8 | -40 | 176.7 | 67.8 | 0 | 0 | 0 | 0 | 111.8 | V57 K58 V59 I63 L64 I65 | V57-S61 WeakPolarHBondContact O-CB 3.35Å; V57-S61 PolarHBondContact O-N 2.83Å; V57-S61 PolarHBondContact O-OG 2.74Å; K58-S61 WeakPolarHBondContact CA-OG 3.47Å; K58-S61 PolarHBondContact O-N 2.92Å; K58-S61 PolarHBondContact O-OG 3.5Å; V59-S61 PolarHBondContact O-N 3.12Å; S61-I63 VanDerWaalsContact C-N 3.32Å; S61-I63 PolarHBondContact O-N 3.45Å; S61-L64 PolarHBondContact O-N 3.43Å; S61-I65 VanDerWaalsContact O-CG1 3.23Å; S61-I65 WeakPolarHBondContact O-CG1 3.46Å; S61-I65 PolarHBondContact O-N 3.38Å |
| 62 | Y | 89.3 | Confident | 80.6 | Confident | 137 Ų | 137 | 63.3 Ų | 63.3 | 54% | 0.537 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -61.8 | -38.8 | 172 | -71.9 | -50.8 | 0 | 0 | 0 | 112.5 | L40 K58 V59 I65 G66 | L40-Y62 HydrophobicContact CD1-CE1 4.19Å; L40-Y62 HydrophobicContact CD2-CD1 4.43Å; L40-Y62 HydrophobicContact CD2-CE1 3.82Å; K58-Y62 HydrophobicContact CB-CD2 4.49Å; K58-Y62 HydrophobicContact CB-CE2 4.22Å; K58-Y62 WeakPolarHBondContact O-CB 3.41Å; K58-Y62 WeakPolarHBondContact O-CD2 3.44Å; K58-Y62 PolarHBondContact O-N 3.48Å; V59-Y62 PolarHBondContact O-N 3.29Å; Y62-I65 PolarHBondContact O-N 3.39Å; Y62-G66 PolarHBondContact O-N 3.48Å |
| 63 | I | 91.4 | Very high | 83 | Confident | 102 Ų | 102 | 56.6 Ų | 56.6 | 52% | 0.523 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -63 | -46.8 | 173.5 | -69.2 | 165.7 | 0 | 0 | 0 | 110.3 | V59 A60 S61 I65 G66 V67 | V59-I63 HydrophobicContact CG1-CD1 3.9Å; V59-I63 VanDerWaalsContact O-CG1 3.27Å; V59-I63 WeakPolarHBondContact O-CG1 3.32Å; V59-I63 PolarHBondContact O-N 2.91Å; A60-I63 PolarHBondContact O-N 3.36Å; S61-I63 VanDerWaalsContact C-N 3.32Å; S61-I63 PolarHBondContact O-N 3.45Å; I63-I65 PolarHBondContact O-N 3.03Å; I63-G66 PolarHBondContact O-N 3.33Å; I63-V67 HydrophobicContact CG2-CG2 4.23Å; I63-V67 WeakPolarHBondContact O-CB 3.5Å; I63-V67 WeakPolarHBondContact O-CG2 3.21Å; I63-V67 PolarHBondContact O-N 2.85Å |
| 64 | L | 92.4 | Very high | 85.3 | Confident | 57 Ų | 57 | 54.6 Ų | 54.6 | 30% | 0.298 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -60.2 | -44.4 | 177.3 | -72 | 171 | 0 | 0 | 0 | 111.9 | I32 F35 I39 A60 S61 G68 | I32-L64 HydrophobicContact CG2-CB 4.48Å; I32-L64 HydrophobicContact CG2-CD2 4.12Å; I32-L64 WeakPolarHBondContact CG2-O 3.24Å; F35-L64 HydrophobicContact CD1-CD1 4.07Å; F35-L64 HydrophobicContact CE1-CD1 4.36Å; I39-L64 HydrophobicContact CD1-CD1 4.19Å; A60-L64 WeakPolarHBondContact O-CG 3.26Å; A60-L64 PolarHBondContact O-N 3.42Å; S61-L64 PolarHBondContact O-N 3.43Å; L64-G68 WeakPolarHBondContact O-CA 3.41Å; L64-G68 PolarHBondContact O-N 3.35Å |
| 65 | I | 94.9 | Very high | 87.1 | Confident | 30 Ų | 30 | 54.6 Ų | 54.6 | 15% | 0.154 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -62.4 | -45.4 | 176 | -66.6 | 164.4 | 0 | 0 | 0 | 110.4 | M33 L37 L40 S61 Y62 I63 S69 | M33-I65 HydrophobicContact CG-CG2 4.42Å; L37-I65 HydrophobicContact CD2-CD1 3.76Å; L37-I65 HydrophobicContact CD2-CG1 4.1Å; L37-I65 HydrophobicContact CG-CD1 4.28Å; L37-I65 HydrophobicContact CG-CG1 4.17Å; L40-I65 HydrophobicContact CB-CD1 4.19Å; L40-I65 HydrophobicContact CD2-CD1 3.7Å; S61-I65 VanDerWaalsContact O-CG1 3.23Å; S61-I65 WeakPolarHBondContact O-CG1 3.46Å; S61-I65 PolarHBondContact O-N 3.38Å; Y62-I65 PolarHBondContact O-N 3.39Å; I63-I65 PolarHBondContact O-N 3.03Å; I65-S69 WeakPolarHBondContact O-CB 3.26Å; I65-S69 PolarHBondContact O-N 2.94Å; I65-S69 PolarHBondContact O-OG 3.32Å |
| 66 | G | 95.9 | Very high | 88.6 | Confident | 36 Ų | 36 | 53.5 Ų | 53.5 | 37% | 0.371 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -61.2 | -51.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y62 I63 S69 L70 | Y62-G66 PolarHBondContact O-N 3.48Å; I63-G66 PolarHBondContact O-N 3.33Å; G66-S69 PolarHBondContact O-OG 2.99Å; G66-L70 WeakPolarHBondContact O-CB 3.42Å; G66-L70 PolarHBondContact O-N 3.49Å |
| 67 | V | 94.9 | Very high | 90.1 | Very high | 78 Ų | 78 | 54 Ų | 54 | 47% | 0.473 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -65.4 | -43.5 | 178.7 | 173.3 | 0 | 0 | 0 | 0 | 111.1 | I63 T71 | I63-V67 HydrophobicContact CG2-CG2 4.23Å; I63-V67 WeakPolarHBondContact O-CB 3.5Å; I63-V67 WeakPolarHBondContact O-CG2 3.21Å; I63-V67 PolarHBondContact O-N 2.85Å; V67-T71 WeakPolarHBondContact O-CB 3.25Å; V67-T71 PolarHBondContact O-N 3.48Å; V67-T71 PolarHBondContact O-OG1 3.14Å |
| 68 | G | 97.3 | Very high | 91.2 | Very high | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -64.2 | -46.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | G29 L64 T71 M72 | G29-G68 CarbonylContact C-O 2.96Å; G29-G68 WeakPolarHBondContact CA-O 3.28Å; G29-G68 CarbonylContact O-C 3.58Å; G29-G68 WeakPolarHBondContact O-CA 3.29Å; L64-G68 WeakPolarHBondContact O-CA 3.41Å; L64-G68 PolarHBondContact O-N 3.35Å; G68-T71 PolarHBondContact O-N 2.92Å; G68-M72 VanDerWaalsContact O-CB 3.23Å; G68-M72 WeakPolarHBondContact O-CB 3.24Å; G68-M72 PolarHBondContact O-N 2.96Å |
| 69 | S | 96.5 | Very high | 92.1 | Very high | 46 Ų | 46 | 49.1 Ų | 49.1 | 32% | 0.322 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -63.7 | -43.3 | 177.4 | 59.7 | 0 | 0 | 0 | 0 | 112.6 | I65 G66 M72 A73 | I65-S69 WeakPolarHBondContact O-CB 3.26Å; I65-S69 PolarHBondContact O-N 2.94Å; I65-S69 PolarHBondContact O-OG 3.32Å; G66-S69 PolarHBondContact O-OG 2.99Å; S69-M72 PolarHBondContact O-N 3.28Å; S69-A73 WeakPolarHBondContact O-CB 3.36Å; S69-A73 PolarHBondContact O-N 3.43Å |
| 70 | L | 94.6 | Very high | 92.8 | Very high | 96 Ų | 96 | 47.2 Ų | 47.2 | 50% | 0.503 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -62 | -47.1 | 176.1 | 178.7 | 63.5 | 0 | 0 | 0 | 111.4 | G66 M72 A73 M74 I100 | G66-L70 WeakPolarHBondContact O-CB 3.42Å; G66-L70 PolarHBondContact O-N 3.49Å; L70-M72 VanDerWaalsContact C-N 3.34Å; L70-M72 PolarHBondContact O-N 2.99Å; L70-A73 PolarHBondContact O-N 3.33Å; L70-M74 HydrophobicContact CD1-CG 4.33Å; L70-M74 WeakPolarHBondContact O-CB 3.49Å; L70-M74 VanDerWaalsContact O-CG 3.26Å; L70-M74 WeakPolarHBondContact O-CG 3.47Å; L70-M74 PolarHBondContact O-N 3.03Å; L70-I100 HydrophobicContact CD2-CD1 4.47Å |
| 71 | T | 95 | Very high | 93.2 | Very high | 38 Ų | 38 | 45 Ų | 45 | 23% | 0.233 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -62.5 | -42.6 | 178.5 | -54.5 | 0 | 0 | 0 | 0 | 111.2 | F25 V67 G68 M74 G75 | F25-T71 HydrophobicContact CB-CG2 4.25Å; F25-T71 HydrophobicContact CD1-CG2 4.02Å; V67-T71 WeakPolarHBondContact O-CB 3.25Å; V67-T71 PolarHBondContact O-N 3.48Å; V67-T71 PolarHBondContact O-OG1 3.14Å; G68-T71 PolarHBondContact O-N 2.92Å; T71-M74 PolarHBondContact O-N 2.94Å; T71-G75 PolarHBondContact O-N 2.93Å |
| 72 | M | 96.3 | Very high | 93.4 | Very high | 45 Ų | 45 | 44.9 Ų | 44.9 | 22% | 0.222 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -62.9 | -47.8 | 176.7 | -172.7 | -178.6 | 68.8 | 0 | 0 | 111.4 | F26 A30 M33 G68 S69 L70 M74 G75 F76 | F26-M72 HydrophobicContact CD2-CG 3.51Å; F26-M72 WeakPolarHBondContact CD2-O 3.48Å; F26-M72 HydrophobicContact CE2-CG 3.39Å; F26-M72 HydrophobicContact CE2-SD 4.12Å; F26-M72 HydrophobicContact CG-CG 4.35Å; F26-M72 HydrophobicContact CZ-CG 4.17Å; F26-M72 HydrophobicContact CZ-SD 4.42Å; A30-M72 HydrophobicContact CB-CG 4.44Å; A30-M72 HydrophobicContact CB-SD 3.86Å; M33-M72 HydrophobicContact CE-CE 3.57Å; M33-M72 HydrophobicContact CE-SD 3.75Å; M33-M72 HydrophobicContact SD-CE 3.8Å; M33-M72 HydrophobicContact SD-SD 4.47Å; G68-M72 VanDerWaalsContact O-CB 3.23Å; G68-M72 WeakPolarHBondContact O-CB 3.24Å; G68-M72 PolarHBondContact O-N 2.96Å; S69-M72 PolarHBondContact O-N 3.28Å; L70-M72 VanDerWaalsContact C-N 3.34Å; L70-M72 PolarHBondContact O-N 2.99Å; M72-M74 VanDerWaalsContact C-N 3.34Å; M72-M74 PolarHBondContact O-N 3.45Å; M72-G75 PolarHBondContact O-N 2.88Å; M72-F76 WeakPolarHBondContact O-CB 3.46Å; M72-F76 PolarHBondContact O-N 3.39Å |
| 73 | A | 94.1 | Very high | 93.4 | Very high | 35 Ų | 35 | 41.5 Ų | 41.5 | 29% | 0.289 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -60.8 | -43.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112 | S69 L70 F76 F77 | S69-A73 WeakPolarHBondContact O-CB 3.36Å; S69-A73 PolarHBondContact O-N 3.43Å; L70-A73 PolarHBondContact O-N 3.33Å; A73-F76 WeakPolarHBondContact O-CB 3.49Å; A73-F76 PolarHBondContact O-N 2.95Å; A73-F77 HydrophobicContact CB-CE2 4.35Å; A73-F77 VanDerWaalsContact O-CD2 3.22Å; A73-F77 WeakPolarHBondContact O-CD2 3.49Å; A73-F77 WeakPolarHBondContact O-CG 3.39Å; A73-F77 PolarHBondContact O-N 3.32Å |
| 74 | M | 93.3 | Very high | 93.3 | Very high | 17 Ų | 17 | 44.5 Ų | 44.5 | 8% | 0.084 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -62.5 | -45.1 | 176.4 | -74.6 | -62.8 | -69 | 0 | 0 | 112.2 | L70 T71 M72 F76 F77 G78 Y93 C96 L97 | L70-M74 HydrophobicContact CD1-CG 4.33Å; L70-M74 WeakPolarHBondContact O-CB 3.49Å; L70-M74 VanDerWaalsContact O-CG 3.26Å; L70-M74 WeakPolarHBondContact O-CG 3.47Å; L70-M74 PolarHBondContact O-N 3.03Å; T71-M74 PolarHBondContact O-N 2.94Å; M72-M74 VanDerWaalsContact C-N 3.34Å; M72-M74 PolarHBondContact O-N 3.45Å; M74-F76 VanDerWaalsContact C-N 3.32Å; M74-F76 PolarHBondContact O-N 2.89Å; M74-F77 PolarHBondContact O-N 3.43Å; M74-G78 PolarHBondContact O-N 3.37Å; M74-Y93 HydrophobicContact CE-CD2 3.71Å; M74-Y93 HydrophobicContact CE-CE2 4.03Å; M74-Y93 HydrophobicContact CE-CG 4.46Å; M74-C96 HydrophobicContact CE-CB 3.44Å; M74-C96 VanDerWaalsContact CE-CB 3.44Å; M74-C96 HydrophobicContact SD-CB 3.35Å; M74-C96 WeakPolarHBondContact SD-CB 3.39Å; M74-L97 HydrophobicContact CE-CD2 3.74Å; M74-L97 HydrophobicContact CE-CG 3.76Å |
| 75 | G | 94 | Very high | 93.1 | Very high | 1 Ų | 1 | 44.6 Ų | 44.6 | 1% | 0.01 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -60.4 | -40.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | N22 T71 M72 G78 C79 | N22-G75 WeakPolarHBondContact O-CA 3.39Å; T71-G75 PolarHBondContact O-N 2.93Å; M72-G75 PolarHBondContact O-N 2.88Å; G75-G78 PolarHBondContact O-N 3.07Å; G75-C79 WeakPolarHBondContact O-CB 3.42Å; G75-C79 PolarHBondContact O-N 3.32Å; G75-C79 PolarHBondContact O-SG 3.09Å |
| 76 | F | 92.4 | Very high | 92.9 | Very high | 101 Ų | 101 | 46.7 Ų | 46.7 | 44% | 0.443 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -63.2 | -49.5 | 177.1 | -177.9 | -106.3 | 0 | 0 | 0 | 112.5 | F26 M72 A73 M74 G78 C79 I80 | F26-F76 HydrophobicContact CD2-CB 3.96Å; F26-F76 HydrophobicContact CE2-CB 4.14Å; F26-F76 HydrophobicContact CE2-CD2 4.3Å; M72-F76 WeakPolarHBondContact O-CB 3.46Å; M72-F76 PolarHBondContact O-N 3.39Å; A73-F76 WeakPolarHBondContact O-CB 3.49Å; A73-F76 PolarHBondContact O-N 2.95Å; M74-F76 VanDerWaalsContact C-N 3.32Å; M74-F76 PolarHBondContact O-N 2.89Å; F76-G78 VanDerWaalsContact C-N 3.35Å; F76-G78 PolarHBondContact O-N 2.98Å; F76-C79 PolarHBondContact O-N 2.72Å; F76-I80 HydrophobicContact CD1-CD1 4.05Å; F76-I80 HydrophobicContact CD2-CD1 4.11Å; F76-I80 HydrophobicContact CE1-CD1 3.44Å; F76-I80 VanDerWaalsContact CE1-CD1 3.44Å; F76-I80 HydrophobicContact CE2-CD1 3.51Å; F76-I80 HydrophobicContact CE2-CG1 4.3Å; F76-I80 HydrophobicContact CG-CD1 4.36Å; F76-I80 HydrophobicContact CZ-CD1 3.15Å; F76-I80 HydrophobicContact CZ-CG1 4.34Å; F76-I80 PolarHBondContact O-N 2.92Å |
| 77 | F | 90.8 | Very high | 92.5 | Very high | 69 Ų | 69 | 49.2 Ų | 49.2 | 30% | 0.303 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -63.5 | -40.2 | 177.2 | -62.6 | -39.2 | 0 | 0 | 0 | 112.3 | A73 M74 G81 L89 L92 | A73-F77 HydrophobicContact CB-CE2 4.35Å; A73-F77 VanDerWaalsContact O-CD2 3.22Å; A73-F77 WeakPolarHBondContact O-CD2 3.49Å; A73-F77 WeakPolarHBondContact O-CG 3.39Å; A73-F77 PolarHBondContact O-N 3.32Å; M74-F77 PolarHBondContact O-N 3.43Å; F77-G81 WeakPolarHBondContact O-CA 3.28Å; F77-G81 PolarHBondContact O-N 3.34Å; F77-L89 HydrophobicContact CD1-CD2 4.15Å; F77-L92 HydrophobicContact CD2-CD2 4.17Å; F77-L92 HydrophobicContact CE2-CD2 4.23Å; F77-L92 HydrophobicContact CG-CD2 4.46Å |
| 78 | G | 91.9 | Very high | 92.2 | Very high | 1 Ų | 1 | 50.4 Ų | 50.4 | 1% | 0.01 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -61.9 | -44.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | M74 G75 F76 A82 | M74-G78 PolarHBondContact O-N 3.37Å; G75-G78 PolarHBondContact O-N 3.07Å; F76-G78 VanDerWaalsContact C-N 3.35Å; F76-G78 PolarHBondContact O-N 2.98Å; G78-A82 VanDerWaalsContact O-CB 3.24Å; G78-A82 WeakPolarHBondContact O-CB 3.22Å; G78-A82 PolarHBondContact O-N 3.15Å |
| 79 | C | 92.8 | Very high | 92 | Very high | 11 Ų | 11 | 52.2 Ų | 52.2 | 7% | 0.074 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -63.2 | -51.9 | 177.5 | -77.6 | 0 | 0 | 0 | 0 | 113 | F19 N22 L23 G75 F76 A82 I83 | F19-C79 HydrophobicContact CD2-CB 3.86Å; F19-C79 HydrophobicContact CE2-CB 3.92Å; N22-C79 VanDerWaalsContact CB-SG 3.58Å; L23-C79 VanDerWaalsContact CA-SG 3.58Å; L23-C79 PolarHBondContact N-SG 3.26Å; G75-C79 WeakPolarHBondContact O-CB 3.42Å; G75-C79 PolarHBondContact O-N 3.32Å; G75-C79 PolarHBondContact O-SG 3.09Å; F76-C79 PolarHBondContact O-N 2.72Å; C79-A82 PolarHBondContact O-N 2.89Å; C79-I83 PolarHBondContact O-N 2.88Å |
| 80 | I | 92.8 | Very high | 91.7 | Very high | 42 Ų | 42 | 50.1 Ų | 50.1 | 22% | 0.215 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -66.2 | -43.7 | -179.2 | -66.9 | -175.3 | 0 | 0 | 0 | 110.2 | F76 A82 I83 Y84 I86 L89 | F76-I80 HydrophobicContact CD1-CD1 4.05Å; F76-I80 HydrophobicContact CD2-CD1 4.11Å; F76-I80 HydrophobicContact CE1-CD1 3.44Å; F76-I80 VanDerWaalsContact CE1-CD1 3.44Å; F76-I80 HydrophobicContact CE2-CD1 3.51Å; F76-I80 HydrophobicContact CE2-CG1 4.3Å; F76-I80 HydrophobicContact CG-CD1 4.36Å; F76-I80 HydrophobicContact CZ-CD1 3.15Å; F76-I80 HydrophobicContact CZ-CG1 4.34Å; F76-I80 PolarHBondContact O-N 2.92Å; I80-A82 VanDerWaalsContact C-N 3.28Å; I80-A82 PolarHBondContact O-N 3.45Å; I80-I83 PolarHBondContact O-N 3.2Å; I80-Y84 HydrophobicContact CB-CD2 4.31Å; I80-Y84 HydrophobicContact CG2-CD2 3.65Å; I80-Y84 HydrophobicContact CG2-CE2 4.25Å; I80-Y84 WeakPolarHBondContact O-CB 3.28Å; I80-Y84 PolarHBondContact O-N 3.26Å; I80-I86 HydrophobicContact CG2-CD1 4.28Å; I80-L89 HydrophobicContact CB-CD1 4.08Å; I80-L89 HydrophobicContact CG2-CD1 3.39Å |
| 81 | G | 90.3 | Very high | 91.5 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -56.6 | -42.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112 | F77 E85 I86 L90 | F77-G81 WeakPolarHBondContact O-CA 3.28Å; F77-G81 PolarHBondContact O-N 3.34Å; G81-E85 VanDerWaalsContact O-CA 3.25Å; G81-E85 WeakPolarHBondContact O-CA 3.5Å; G81-E85 PolarHBondContact O-N 3.45Å; G81-E85 VanDerWaalsContact O-N 3.07Å; G81-I86 PolarHBondContact O-N 3.04Å; G81-L90 VanDerWaalsContact O-CD1 3.26Å; G81-L90 WeakPolarHBondContact O-CD1 3.44Å |
| 82 | A | 90.6 | Very high | 91.4 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -71.2 | -48.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | K15 L18 F19 G78 C79 I80 L246 | K15-A82 WeakPolarHBondContact CE-O 3.36Å; L18-A82 HydrophobicContact CB-CB 4.44Å; L18-A82 HydrophobicContact CD2-CB 4.13Å; L18-A82 HydrophobicContact CG-CB 4.27Å; F19-A82 HydrophobicContact CB-CB 4.33Å; G78-A82 VanDerWaalsContact O-CB 3.24Å; G78-A82 WeakPolarHBondContact O-CB 3.22Å; G78-A82 PolarHBondContact O-N 3.15Å; C79-A82 PolarHBondContact O-N 2.89Å; I80-A82 VanDerWaalsContact C-N 3.28Å; I80-A82 PolarHBondContact O-N 3.45Å; A82-L246 HydrophobicContact CB-CD2 4.07Å |
| 83 | I | 90.3 | Very high | 91.3 | Very high | 67 Ų | 67 | 46.9 Ų | 46.9 | 34% | 0.344 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -67.7 | -50.9 | -176.5 | -78.2 | -177 | 0 | 0 | 0 | 111.9 | K15 F19 C79 I80 E85 | K15-I83 VanDerWaalsContact CE-O 3.29Å; K15-I83 WeakPolarHBondContact CE-O 3.19Å; K15-I83 PolarHBondContact NZ-O 2.88Å; F19-I83 HydrophobicContact CB-CG1 4.36Å; F19-I83 HydrophobicContact CD1-CD1 4.24Å; F19-I83 HydrophobicContact CD2-CD1 3.28Å; F19-I83 HydrophobicContact CD2-CG1 3.51Å; F19-I83 HydrophobicContact CE1-CD1 4.11Å; F19-I83 HydrophobicContact CE2-CD1 3.13Å; F19-I83 HydrophobicContact CE2-CG1 3.94Å; F19-I83 HydrophobicContact CG-CD1 3.85Å; F19-I83 HydrophobicContact CG-CG1 3.88Å; F19-I83 HydrophobicContact CZ-CD1 3.57Å; C79-I83 PolarHBondContact O-N 2.88Å; I80-I83 PolarHBondContact O-N 3.2Å; I83-E85 VanDerWaalsContact C-N 3.3Å |
| 84 | Y | 88.3 | Confident | 91.3 | Very high | 164 Ų | 164 | 47.6 Ų | 47.6 | 64% | 0.643 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -88.6 | -0.3 | -174.6 | -65 | -78 | 0 | 0 | 0 | 112.9 | I80 I86 | I80-Y84 HydrophobicContact CB-CD2 4.31Å; I80-Y84 HydrophobicContact CG2-CD2 3.65Å; I80-Y84 HydrophobicContact CG2-CE2 4.25Å; I80-Y84 WeakPolarHBondContact O-CB 3.28Å; I80-Y84 PolarHBondContact O-N 3.26Å; Y84-I86 PolarHBondContact O-N 3.21Å; Y84-I86 VanDerWaalsContact O-N 3.15Å |
| 85 | E | 88.1 | Confident | 91.4 | Very high | 60 Ų | 60 | 50.1 Ų | 50.1 | 28% | 0.28 | 25% | 0.253 | S | S | . | . | trans | 57.7 | 31.1 | 176.3 | -70.7 | 170.5 | -166.2 | 0 | 0 | 112.9 | K15 G81 I83 R87 V250 | K15-E85 IonicContact NZ-OE1 3.39Å; K15-E85 PolarHBondContact NZ-OE1 3.26Å; G81-E85 VanDerWaalsContact O-CA 3.25Å; G81-E85 WeakPolarHBondContact O-CA 3.5Å; G81-E85 PolarHBondContact O-N 3.45Å; G81-E85 VanDerWaalsContact O-N 3.07Å; I83-E85 VanDerWaalsContact C-N 3.3Å; E85-R87 PolarHBondContact O-N 3.07Å; E85-R87 VanDerWaalsContact O-N 3.16Å; E85-V250 HydrophobicContact CB-CG1 4.37Å; E85-V250 HydrophobicContact CB-CG2 3.64Å; E85-V250 HydrophobicContact CG-CG2 3.85Å | ||
| 86 | I | 90 | Very high | 91.4 | Very high | 74 Ų | 74 | 51.8 Ų | 51.8 | 38% | 0.379 | 26% | 0.264 | S | S | . | . | trans | -79.9 | 103.1 | -177.8 | -58.8 | 174.7 | 0 | 0 | 0 | 109.3 | I80 G81 Y84 C88 L89 L90 | I80-I86 HydrophobicContact CG2-CD1 4.28Å; G81-I86 PolarHBondContact O-N 3.04Å; Y84-I86 PolarHBondContact O-N 3.21Å; Y84-I86 VanDerWaalsContact O-N 3.15Å; I86-C88 VanDerWaalsContact C-N 3.27Å; I86-C88 HydrophobicContact CG2-CB 4.38Å; I86-C88 PolarHBondContact O-N 3.44Å; I86-L89 HydrophobicContact CB-CB 4.28Å; I86-L89 HydrophobicContact CB-CD1 4.01Å; I86-L89 HydrophobicContact CB-CG 4.22Å; I86-L89 HydrophobicContact CD1-CD1 3.89Å; I86-L89 HydrophobicContact CG2-CB 4.22Å; I86-L89 HydrophobicContact CG2-CD1 4.05Å; I86-L89 HydrophobicContact CG2-CG 3.88Å; I86-L89 PolarHBondContact O-N 3.35Å; I86-L90 PolarHBondContact O-N 3.4Å; I86-L90 VanDerWaalsContact O-N 3.09Å | ||
| 87 | R | 88.1 | Confident | 91.5 | Very high | 88 Ų | 88 | 47.8 Ų | 47.8 | 33% | 0.332 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -53.2 | -40.4 | -177.6 | -56.7 | -176.2 | -167.2 | -178.1 | 2 | 114 | E85 L89 L90 G91 V250 V251 D254 | E85-R87 PolarHBondContact O-N 3.07Å; E85-R87 VanDerWaalsContact O-N 3.16Å; R87-L89 VanDerWaalsContact C-N 3.34Å; R87-L89 PolarHBondContact O-N 3.35Å; R87-L90 PolarHBondContact O-N 2.96Å; R87-G91 PolarHBondContact O-N 2.98Å; R87-V250 HydrophobicContact CG-CB 4.39Å; R87-V250 HydrophobicContact CG-CG1 3.86Å; R87-V250 PolarHBondContact NH2-O 3.48Å; R87-V251 VanDerWaalsContact NH2-CA 3.32Å; R87-D254 IonicContact CZ-OD2 3.48Å; R87-D254 IonicContact NE-OD2 3.73Å; R87-D254 VanDerWaalsContact NH2-CG 3.29Å; R87-D254 IonicContact NH2-OD2 2.58Å; R87-D254 PolarHBondContact NH2-OD2 3.09Å |
| 88 | C | 89.8 | Confident | 91.8 | Very high | 103 Ų | 103 | 47.7 Ų | 47.7 | 70% | 0.696 | 25% | 0.25 | S | C | * | . | H | α-helix | trans | -62.6 | -41.2 | 179.7 | -171.3 | 0 | 0 | 0 | 0 | 111.5 | I86 G91 L92 | I86-C88 VanDerWaalsContact C-N 3.27Å; I86-C88 HydrophobicContact CG2-CB 4.38Å; I86-C88 PolarHBondContact O-N 3.44Å; C88-G91 PolarHBondContact O-N 3.42Å; C88-L92 WeakPolarHBondContact O-CB 3.23Å; C88-L92 PolarHBondContact O-N 3.33Å |
| 89 | L | 91.6 | Very high | 92 | Very high | 38 Ų | 38 | 52.8 Ų | 52.8 | 20% | 0.199 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -70.7 | -39.6 | 177.8 | -68.6 | 177.1 | 0 | 0 | 0 | 112.1 | F77 I80 I86 R87 G91 L92 Y93 | F77-L89 HydrophobicContact CD1-CD2 4.15Å; I80-L89 HydrophobicContact CB-CD1 4.08Å; I80-L89 HydrophobicContact CG2-CD1 3.39Å; I86-L89 HydrophobicContact CB-CB 4.28Å; I86-L89 HydrophobicContact CB-CD1 4.01Å; I86-L89 HydrophobicContact CB-CG 4.22Å; I86-L89 HydrophobicContact CD1-CD1 3.89Å; I86-L89 HydrophobicContact CG2-CB 4.22Å; I86-L89 HydrophobicContact CG2-CD1 4.05Å; I86-L89 HydrophobicContact CG2-CG 3.88Å; I86-L89 PolarHBondContact O-N 3.35Å; R87-L89 VanDerWaalsContact C-N 3.34Å; R87-L89 PolarHBondContact O-N 3.35Å; L89-G91 VanDerWaalsContact C-N 3.33Å; L89-L92 PolarHBondContact O-N 3.43Å; L89-Y93 WeakPolarHBondContact O-CB 3.23Å; L89-Y93 PolarHBondContact O-N 2.88Å |
| 90 | L | 90.4 | Very high | 92.1 | Very high | 2 Ų | 2 | 54.4 Ų | 54.4 | 1% | 0.01 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -60.8 | -42.1 | 172.1 | -81 | 145.6 | 0 | 0 | 0 | 111.8 | L18 G81 I86 R87 F94 S243 L246 | L18-L90 HydrophobicContact CD2-CD2 4.19Å; G81-L90 VanDerWaalsContact O-CD1 3.26Å; G81-L90 WeakPolarHBondContact O-CD1 3.44Å; I86-L90 PolarHBondContact O-N 3.4Å; I86-L90 VanDerWaalsContact O-N 3.09Å; R87-L90 PolarHBondContact O-N 2.96Å; L90-F94 WeakPolarHBondContact O-CB 3.12Å; L90-F94 PolarHBondContact O-N 3.16Å; L90-S243 WeakPolarHBondContact CD2-OG 3.45Å; L90-S243 PolarHBondContact O-OG 2.95Å; L90-L246 HydrophobicContact CD1-CD2 4.43Å; L90-L246 HydrophobicContact CD2-CB 4.26Å; L90-L246 HydrophobicContact CD2-CD2 4.03Å; L90-L246 HydrophobicContact CD2-CG 4.45Å |
| 91 | G | 91.6 | Very high | 92.2 | Very high | 30 Ų | 30 | 53.9 Ų | 53.9 | 31% | 0.309 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -66.2 | -41.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | R87 C88 L89 F94 T95 | R87-G91 PolarHBondContact O-N 2.98Å; C88-G91 PolarHBondContact O-N 3.42Å; L89-G91 VanDerWaalsContact C-N 3.33Å; G91-F94 PolarHBondContact O-N 2.9Å; G91-T95 WeakPolarHBondContact O-CB 3.31Å; G91-T95 PolarHBondContact O-N 2.73Å; G91-T95 PolarHBondContact O-OG1 2.81Å |
| 92 | L | 92.3 | Very high | 92.6 | Very high | 74 Ų | 74 | 58.1 Ų | 58.1 | 39% | 0.387 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -61.9 | -48.7 | 173.8 | -178.7 | 66.7 | 0 | 0 | 0 | 110.8 | F77 C88 L89 F94 T95 C96 | F77-L92 HydrophobicContact CD2-CD2 4.17Å; F77-L92 HydrophobicContact CE2-CD2 4.23Å; F77-L92 HydrophobicContact CG-CD2 4.46Å; C88-L92 WeakPolarHBondContact O-CB 3.23Å; C88-L92 PolarHBondContact O-N 3.33Å; L89-L92 PolarHBondContact O-N 3.43Å; L92-F94 PolarHBondContact O-N 2.83Å; L92-T95 PolarHBondContact O-N 2.92Å; L92-C96 WeakPolarHBondContact O-CB 3.43Å; L92-C96 PolarHBondContact O-N 3.5Å; L92-C96 PolarHBondContact O-SG 3.05Å; L92-C96 VanDerWaalsContact O-SG 3.34Å |
| 93 | Y | 93.5 | Very high | 92.8 | Very high | 8 Ų | 8 | 61 Ų | 61 | 3% | 0.031 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -55.8 | -48.4 | 175.9 | 174.8 | -100.5 | 0 | 0 | 0 | 111.8 | N22 M74 L89 T95 C96 L97 | N22-Y93 PolarHBondContact ND2-OH 3.37Å; N22-Y93 WeakPolarHBondContact OD1-CE2 3.4Å; N22-Y93 VanDerWaalsContact OD1-CZ 3.26Å; N22-Y93 PolarHBondContact OD1-OH 2.92Å; M74-Y93 HydrophobicContact CE-CD2 3.71Å; M74-Y93 HydrophobicContact CE-CE2 4.03Å; M74-Y93 HydrophobicContact CE-CG 4.46Å; L89-Y93 WeakPolarHBondContact O-CB 3.23Å; L89-Y93 PolarHBondContact O-N 2.88Å; Y93-T95 PolarHBondContact O-N 3.47Å; Y93-C96 PolarHBondContact O-N 2.94Å; Y93-L97 HydrophobicContact CD1-CD1 4.07Å; Y93-L97 HydrophobicContact CE1-CD1 3.44Å; Y93-L97 VanDerWaalsContact CE1-CD1 3.44Å; Y93-L97 HydrophobicContact CE1-CG 4.34Å; Y93-L97 HydrophobicContact CE2-CD1 4.15Å; Y93-L97 HydrophobicContact CE2-CG 4.38Å; Y93-L97 VanDerWaalsContact CZ-CD1 3.5Å; Y93-L97 WeakPolarHBondContact O-CG 3.4Å; Y93-L97 PolarHBondContact O-N 2.88Å |
| 94 | F | 94.8 | Very high | 93 | Very high | 50 Ų | 50 | 61 Ų | 61 | 22% | 0.219 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -58.6 | -47.9 | 175.7 | 172.4 | -89.1 | 0 | 0 | 0 | 112 | L90 G91 L92 C96 L97 L98 M240 M244 | L90-F94 WeakPolarHBondContact O-CB 3.12Å; L90-F94 PolarHBondContact O-N 3.16Å; G91-F94 PolarHBondContact O-N 2.9Å; L92-F94 PolarHBondContact O-N 2.83Å; F94-C96 PolarHBondContact O-N 2.9Å; F94-L97 PolarHBondContact O-N 2.92Å; F94-L98 HydrophobicContact CE1-CD2 4.2Å; F94-L98 WeakPolarHBondContact O-CB 3.24Å; F94-L98 PolarHBondContact O-N 3.29Å; F94-M240 HydrophobicContact CD2-CB 3.69Å; F94-M240 HydrophobicContact CD2-CG 3.73Å; F94-M240 HydrophobicContact CD2-SD 4.29Å; F94-M240 HydrophobicContact CE2-CB 3.71Å; F94-M240 HydrophobicContact CE2-CG 3.91Å; F94-M240 HydrophobicContact CE2-SD 3.99Å; F94-M240 HydrophobicContact CZ-SD 4.43Å; F94-M244 HydrophobicContact CD2-CG 3.73Å; F94-M244 HydrophobicContact CD2-SD 4.27Å; F94-M244 HydrophobicContact CE2-CE 3.77Å; F94-M244 HydrophobicContact CE2-CG 3.7Å; F94-M244 HydrophobicContact CE2-SD 3.62Å; F94-M244 HydrophobicContact CZ-CE 4.45Å; F94-M244 HydrophobicContact CZ-CG 4.47Å; F94-M244 HydrophobicContact CZ-SD 4Å |
| 95 | T | 94.9 | Very high | 93.4 | Very high | 69 Ų | 69 | 57.4 Ų | 57.4 | 42% | 0.423 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -63.7 | -43 | -177 | -55.5 | 0 | 0 | 0 | 0 | 111 | G91 L92 Y93 L98 L99 | G91-T95 WeakPolarHBondContact O-CB 3.31Å; G91-T95 PolarHBondContact O-N 2.73Å; G91-T95 PolarHBondContact O-OG1 2.81Å; L92-T95 PolarHBondContact O-N 2.92Å; Y93-T95 PolarHBondContact O-N 3.47Å; T95-L98 PolarHBondContact O-N 3.48Å; T95-L99 HydrophobicContact CG2-CD1 4.38Å; T95-L99 WeakPolarHBondContact O-CG 3.22Å; T95-L99 PolarHBondContact O-N 3.43Å |
| 96 | C | 94.6 | Very high | 93.8 | Very high | 37 Ų | 37 | 57.9 Ų | 57.9 | 25% | 0.25 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -63.4 | -44.6 | 176.3 | -70.6 | 0 | 0 | 0 | 0 | 112.1 | M74 L92 Y93 F94 L98 L99 I100 | M74-C96 HydrophobicContact CE-CB 3.44Å; M74-C96 VanDerWaalsContact CE-CB 3.44Å; M74-C96 HydrophobicContact SD-CB 3.35Å; M74-C96 WeakPolarHBondContact SD-CB 3.39Å; L92-C96 WeakPolarHBondContact O-CB 3.43Å; L92-C96 PolarHBondContact O-N 3.5Å; L92-C96 PolarHBondContact O-SG 3.05Å; L92-C96 VanDerWaalsContact O-SG 3.34Å; Y93-C96 PolarHBondContact O-N 2.94Å; F94-C96 PolarHBondContact O-N 2.9Å; C96-L98 VanDerWaalsContact C-N 3.31Å; C96-L98 PolarHBondContact O-N 3.45Å; C96-L99 PolarHBondContact O-N 3.01Å; C96-I100 VanDerWaalsContact O-CG1 3.28Å; C96-I100 WeakPolarHBondContact O-CG1 3.26Å; C96-I100 PolarHBondContact O-N 3.32Å |
| 97 | L | 94.6 | Very high | 94 | Very high | 17 Ų | 17 | 56.5 Ų | 56.5 | 9% | 0.089 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -60.2 | -41.5 | 174.9 | -72.7 | -177 | 0 | 0 | 0 | 112.1 | M74 Y93 F94 L99 I100 L101 E236 M240 | M74-L97 HydrophobicContact CE-CD2 3.74Å; M74-L97 HydrophobicContact CE-CG 3.76Å; Y93-L97 HydrophobicContact CD1-CD1 4.07Å; Y93-L97 HydrophobicContact CE1-CD1 3.44Å; Y93-L97 VanDerWaalsContact CE1-CD1 3.44Å; Y93-L97 HydrophobicContact CE1-CG 4.34Å; Y93-L97 HydrophobicContact CE2-CD1 4.15Å; Y93-L97 HydrophobicContact CE2-CG 4.38Å; Y93-L97 VanDerWaalsContact CZ-CD1 3.5Å; Y93-L97 WeakPolarHBondContact O-CG 3.4Å; Y93-L97 PolarHBondContact O-N 2.88Å; F94-L97 PolarHBondContact O-N 2.92Å; L97-L99 PolarHBondContact O-N 2.93Å; L97-I100 PolarHBondContact O-N 3.45Å; L97-L101 PolarHBondContact O-N 2.93Å; L97-E236 HydrophobicContact CD2-CG 4.34Å; L97-M240 HydrophobicContact CB-CG 3.69Å; L97-M240 HydrophobicContact CB-SD 4.18Å; L97-M240 HydrophobicContact CD1-CG 3.97Å |
| 98 | L | 96.3 | Very high | 94.2 | Very high | 67 Ų | 67 | 55.1 Ų | 55.1 | 35% | 0.351 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -62.1 | -44 | 177 | -179.7 | 63.4 | 0 | 0 | 0 | 111.8 | F94 T95 C96 I100 L101 I102 M240 | F94-L98 HydrophobicContact CE1-CD2 4.2Å; F94-L98 WeakPolarHBondContact O-CB 3.24Å; F94-L98 PolarHBondContact O-N 3.29Å; T95-L98 PolarHBondContact O-N 3.48Å; C96-L98 VanDerWaalsContact C-N 3.31Å; C96-L98 PolarHBondContact O-N 3.45Å; L98-I100 VanDerWaalsContact C-N 3.35Å; L98-L101 PolarHBondContact O-N 3.47Å; L98-I102 HydrophobicContact CD1-CD1 4.33Å; L98-I102 HydrophobicContact CG-CD1 4.11Å; L98-I102 VanDerWaalsContact O-CG1 3.32Å; L98-I102 WeakPolarHBondContact O-CG1 3.37Å; L98-I102 PolarHBondContact O-N 2.87Å; L98-M240 HydrophobicContact CB-SD 3.86Å; L98-M240 HydrophobicContact CD1-SD 4.24Å |
| 99 | L | 96.3 | Very high | 94.5 | Very high | 107 Ų | 107 | 54.3 Ų | 54.3 | 56% | 0.56 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -64.3 | -39.8 | 177.2 | -70.3 | 175.1 | 0 | 0 | 0 | 111.9 | T95 C96 L97 I102 A103 | T95-L99 HydrophobicContact CG2-CD1 4.38Å; T95-L99 WeakPolarHBondContact O-CG 3.22Å; T95-L99 PolarHBondContact O-N 3.43Å; C96-L99 PolarHBondContact O-N 3.01Å; L97-L99 PolarHBondContact O-N 2.93Å; L99-I102 PolarHBondContact O-N 3.19Å; L99-A103 WeakPolarHBondContact O-CB 3.34Å; L99-A103 PolarHBondContact O-N 3.37Å |
| 100 | I | 94.8 | Very high | 94.7 | Very high | 45 Ų | 45 | 56.5 Ų | 56.5 | 23% | 0.231 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -62.3 | -46.5 | 175.2 | -68.5 | 166.4 | 0 | 0 | 0 | 110.2 | L70 C96 L97 L98 I102 A103 Q104 E236 | L70-I100 HydrophobicContact CD2-CD1 4.47Å; C96-I100 VanDerWaalsContact O-CG1 3.28Å; C96-I100 WeakPolarHBondContact O-CG1 3.26Å; C96-I100 PolarHBondContact O-N 3.32Å; L97-I100 PolarHBondContact O-N 3.45Å; L98-I100 VanDerWaalsContact C-N 3.35Å; I100-I102 VanDerWaalsContact C-N 3.35Å; I100-I102 PolarHBondContact O-N 3.44Å; I100-A103 WeakPolarHBondContact O-CB 3.39Å; I100-A103 PolarHBondContact O-N 2.91Å; I100-A103 VanDerWaalsContact O-N 3.14Å; I100-Q104 HydrophobicContact CG2-CG 4.38Å; I100-Q104 WeakPolarHBondContact O-CG 3.48Å; I100-Q104 PolarHBondContact O-N 2.9Å; I100-E236 VanDerWaalsContact CG2-OE1 3.23Å; I100-E236 WeakPolarHBondContact CG2-OE1 3.2Å |
| 101 | L | 96.1 | Very high | 94.8 | Very high | 31 Ų | 31 | 61.6 Ų | 61.6 | 16% | 0.162 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -61.4 | -43 | 178.8 | -176.9 | 69.4 | 0 | 0 | 0 | 111.7 | L97 L98 A103 Q104 V105 A233 E236 L237 M240 | L97-L101 PolarHBondContact O-N 2.93Å; L98-L101 PolarHBondContact O-N 3.47Å; L101-A103 VanDerWaalsContact C-N 3.33Å; L101-A103 PolarHBondContact O-N 2.97Å; L101-Q104 PolarHBondContact O-N 2.94Å; L101-V105 WeakPolarHBondContact O-CG2 3.43Å; L101-V105 PolarHBondContact O-N 3.04Å; L101-A233 HydrophobicContact CD1-CB 3.97Å; L101-E236 WeakPolarHBondContact CB-OE2 3.26Å; L101-E236 WeakPolarHBondContact CD1-OE2 3.29Å; L101-L237 HydrophobicContact CD2-CD2 4.05Å; L101-L237 HydrophobicContact CD2-CG 4.47Å; L101-M240 HydrophobicContact CD2-CE 3.83Å |
| 102 | I | 97.6 | Very high | 94.8 | Very high | 90 Ų | 90 | 67.9 Ų | 67.9 | 46% | 0.462 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -61.5 | -43.8 | 175 | -68.8 | 166.8 | 0 | 0 | 0 | 110.6 | L98 L99 I100 V105 T106 | L98-I102 HydrophobicContact CD1-CD1 4.33Å; L98-I102 HydrophobicContact CG-CD1 4.11Å; L98-I102 VanDerWaalsContact O-CG1 3.32Å; L98-I102 WeakPolarHBondContact O-CG1 3.37Å; L98-I102 PolarHBondContact O-N 2.87Å; L99-I102 PolarHBondContact O-N 3.19Å; I100-I102 VanDerWaalsContact C-N 3.35Å; I100-I102 PolarHBondContact O-N 3.44Å; I102-V105 PolarHBondContact O-N 3.25Å; I102-T106 WeakPolarHBondContact O-CB 3.23Å; I102-T106 PolarHBondContact O-N 3.39Å; I102-T106 PolarHBondContact O-OG1 3.43Å |
| 103 | A | 96 | Very high | 95 | Very high | 59 Ų | 59 | 69.2 Ų | 69.2 | 49% | 0.488 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -63.2 | -40.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | L99 I100 L101 T106 A107 | L99-A103 WeakPolarHBondContact O-CB 3.34Å; L99-A103 PolarHBondContact O-N 3.37Å; I100-A103 WeakPolarHBondContact O-CB 3.39Å; I100-A103 PolarHBondContact O-N 2.91Å; I100-A103 VanDerWaalsContact O-N 3.14Å; L101-A103 VanDerWaalsContact C-N 3.33Å; L101-A103 PolarHBondContact O-N 2.97Å; A103-T106 PolarHBondContact O-N 3.2Å; A103-A107 VanDerWaalsContact O-CB 3.27Å; A103-A107 WeakPolarHBondContact O-CB 3.23Å; A103-A107 PolarHBondContact O-N 3.11Å |
| 104 | Q | 94.1 | Very high | 95.1 | Very high | 69 Ų | 69 | 73.9 Ų | 73.9 | 32% | 0.322 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -62.3 | -47.9 | 176.3 | -73.8 | 174.9 | 4.5 | 0 | 0 | 112 | I100 L101 T106 A107 A108 E236 | I100-Q104 HydrophobicContact CG2-CG 4.38Å; I100-Q104 WeakPolarHBondContact O-CG 3.48Å; I100-Q104 PolarHBondContact O-N 2.9Å; L101-Q104 PolarHBondContact O-N 2.94Å; Q104-T106 VanDerWaalsContact C-N 3.33Å; Q104-T106 PolarHBondContact O-N 3.38Å; Q104-A107 PolarHBondContact O-N 3.05Å; Q104-A108 WeakPolarHBondContact O-CB 3.4Å; Q104-A108 PolarHBondContact O-N 3.44Å; Q104-E236 PolarHBondContact NE2-OE1 3.48Å; Q104-E236 PolarHBondContact OE1-OE2 3.35Å |
| 105 | V | 95.8 | Very high | 95 | Very high | 87 Ų | 87 | 77 Ų | 77 | 53% | 0.527 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -62 | -44 | 177.1 | 173.5 | 0 | 0 | 0 | 0 | 110.5 | L101 I102 A108 V109 | L101-V105 WeakPolarHBondContact O-CG2 3.43Å; L101-V105 PolarHBondContact O-N 3.04Å; I102-V105 PolarHBondContact O-N 3.25Å; V105-A108 PolarHBondContact O-N 2.94Å; V105-V109 VanDerWaalsContact O-CG2 3.31Å; V105-V109 WeakPolarHBondContact O-CG2 3.32Å; V105-V109 PolarHBondContact O-N 3.3Å |
| 106 | T | 96.6 | Very high | 94.9 | Very high | 71 Ų | 71 | 78 Ų | 78 | 44% | 0.436 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -62.3 | -47 | 178.4 | -55.9 | 0 | 0 | 0 | 0 | 111.2 | I102 A103 Q104 A108 V109 L110 | I102-T106 WeakPolarHBondContact O-CB 3.23Å; I102-T106 PolarHBondContact O-N 3.39Å; I102-T106 PolarHBondContact O-OG1 3.43Å; A103-T106 PolarHBondContact O-N 3.2Å; Q104-T106 VanDerWaalsContact C-N 3.33Å; Q104-T106 PolarHBondContact O-N 3.38Å; T106-A108 PolarHBondContact O-N 2.98Å; T106-V109 PolarHBondContact O-N 2.99Å; T106-L110 HydrophobicContact CG2-CD1 4.05Å; T106-L110 HydrophobicContact CG2-CG 4.4Å; T106-L110 WeakPolarHBondContact O-CB 3.44Å; T106-L110 WeakPolarHBondContact O-CG 3.42Å; T106-L110 PolarHBondContact O-N 2.92Å |
| 107 | A | 94.1 | Very high | 95 | Very high | 45 Ų | 45 | 79.9 Ų | 79.9 | 37% | 0.372 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -60.9 | -43.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | A103 Q104 V109 L110 I111 | A103-A107 VanDerWaalsContact O-CB 3.27Å; A103-A107 WeakPolarHBondContact O-CB 3.23Å; A103-A107 PolarHBondContact O-N 3.11Å; Q104-A107 PolarHBondContact O-N 3.05Å; A107-V109 PolarHBondContact O-N 3.47Å; A107-L110 PolarHBondContact O-N 3.17Å; A107-I111 WeakPolarHBondContact O-CB 3.26Å; A107-I111 WeakPolarHBondContact O-CD1 3.21Å; A107-I111 VanDerWaalsContact O-CG1 3.23Å; A107-I111 WeakPolarHBondContact O-CG1 3.49Å; A107-I111 PolarHBondContact O-N 3.33Å |
| 108 | A | 93.4 | Very high | 94.8 | Very high | 59 Ų | 59 | 83 Ų | 83 | 49% | 0.488 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -61 | -44.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q104 V105 T106 Y112 | Q104-A108 WeakPolarHBondContact O-CB 3.4Å; Q104-A108 PolarHBondContact O-N 3.44Å; V105-A108 PolarHBondContact O-N 2.94Å; T106-A108 PolarHBondContact O-N 2.98Å; A108-Y112 WeakPolarHBondContact O-CB 3.43Å; A108-Y112 PolarHBondContact O-N 3.15Å |
| 109 | V | 95.9 | Very high | 94.6 | Very high | 85 Ų | 85 | 83.4 Ų | 83.4 | 52% | 0.515 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -64.3 | -44.7 | 176.5 | 172.9 | 0 | 0 | 0 | 0 | 111.1 | V105 T106 A107 Y112 V113 | V105-V109 VanDerWaalsContact O-CG2 3.31Å; V105-V109 WeakPolarHBondContact O-CG2 3.32Å; V105-V109 PolarHBondContact O-N 3.3Å; T106-V109 PolarHBondContact O-N 2.99Å; A107-V109 PolarHBondContact O-N 3.47Å; V109-Y112 PolarHBondContact O-N 3.41Å; V109-V113 HydrophobicContact CG1-CG2 4.21Å; V109-V113 WeakPolarHBondContact O-CB 3.49Å; V109-V113 WeakPolarHBondContact O-CG2 3.33Å; V109-V113 PolarHBondContact O-N 3.29Å |
| 110 | L | 95.1 | Very high | 94.5 | Very high | 85 Ų | 85 | 84.1 Ų | 84.1 | 45% | 0.445 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -61.9 | -46.1 | 178.2 | -74 | 175 | 0 | 0 | 0 | 111.9 | T106 A107 Y112 V113 Q114 | T106-L110 HydrophobicContact CG2-CD1 4.05Å; T106-L110 HydrophobicContact CG2-CG 4.4Å; T106-L110 WeakPolarHBondContact O-CB 3.44Å; T106-L110 WeakPolarHBondContact O-CG 3.42Å; T106-L110 PolarHBondContact O-N 2.92Å; A107-L110 PolarHBondContact O-N 3.17Å; L110-Y112 VanDerWaalsContact C-N 3.27Å; L110-Y112 PolarHBondContact O-N 3.34Å; L110-V113 PolarHBondContact O-N 2.86Å; L110-Q114 VanDerWaalsContact O-CB 3.28Å; L110-Q114 WeakPolarHBondContact O-CB 3.42Å; L110-Q114 PolarHBondContact O-N 3.22Å |
| 111 | I | 91.8 | Very high | 94.5 | Very high | 109 Ų | 109 | 87.4 Ų | 87.4 | 56% | 0.559 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -58.6 | -41.6 | 176.7 | -70.9 | 165.3 | 0 | 0 | 0 | 110.6 | A107 R115 | A107-I111 WeakPolarHBondContact O-CB 3.26Å; A107-I111 WeakPolarHBondContact O-CD1 3.21Å; A107-I111 VanDerWaalsContact O-CG1 3.23Å; A107-I111 WeakPolarHBondContact O-CG1 3.49Å; A107-I111 PolarHBondContact O-N 3.33Å; I111-R115 WeakPolarHBondContact O-CA 3.33Å; I111-R115 WeakPolarHBondContact O-CB 3.43Å; I111-R115 PolarHBondContact O-N 3.38Å |
| 112 | Y | 92.6 | Very high | 94.2 | Very high | 162 Ų | 162 | 90 Ų | 90 | 64% | 0.635 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -67.6 | -48.4 | 179 | -178.5 | -96.7 | 0 | 0 | 0 | 112.5 | A108 V109 L110 | A108-Y112 WeakPolarHBondContact O-CB 3.43Å; A108-Y112 PolarHBondContact O-N 3.15Å; V109-Y112 PolarHBondContact O-N 3.41Å; L110-Y112 VanDerWaalsContact C-N 3.27Å; L110-Y112 PolarHBondContact O-N 3.34Å |
| 113 | V | 96.1 | Very high | 94.1 | Very high | 102 Ų | 102 | 86.8 Ų | 86.8 | 62% | 0.618 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -70.3 | -38.1 | -177 | 172.1 | 0 | 0 | 0 | 0 | 111.6 | V109 L110 | V109-V113 HydrophobicContact CG1-CG2 4.21Å; V109-V113 WeakPolarHBondContact O-CB 3.49Å; V109-V113 WeakPolarHBondContact O-CG2 3.33Å; V109-V113 PolarHBondContact O-N 3.29Å; L110-V113 PolarHBondContact O-N 2.86Å |
| 114 | Q | 95 | Very high | 93.9 | Very high | 106 Ų | 106 | 87.8 Ų | 87.8 | 50% | 0.495 | 46% | 0.464 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.6 | 18.7 | -176.6 | -58.8 | -173.1 | -48.6 | 0 | 0 | 113.3 | L110 D116 P117 L118 | L110-Q114 VanDerWaalsContact O-CB 3.28Å; L110-Q114 WeakPolarHBondContact O-CB 3.42Å; L110-Q114 PolarHBondContact O-N 3.22Å; Q114-D116 VanDerWaalsContact C-N 3.29Å; Q114-D116 PolarHBondContact O-N 2.73Å; Q114-P117 WeakPolarHBondContact O-CD 3.39Å; Q114-L118 WeakPolarHBondContact O-CB 3.35Å; Q114-L118 PolarHBondContact O-N 3.32Å |
| 115 | R | 92.6 | Very high | 93.7 | Very high | 115 Ų | 115 | 89.4 Ų | 89.4 | 43% | 0.434 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -56.3 | -41.1 | -177.2 | 72.9 | -170.8 | -173.3 | -161.1 | 1.6 | 113.2 | I111 K119 | I111-R115 WeakPolarHBondContact O-CA 3.33Å; I111-R115 WeakPolarHBondContact O-CB 3.43Å; I111-R115 PolarHBondContact O-N 3.38Å; R115-K119 VanDerWaalsContact O-CG 3.23Å; R115-K119 WeakPolarHBondContact O-CG 3.35Å; R115-K119 PolarHBondContact O-N 3.07Å |
| 116 | D | 94 | Very high | 93.6 | Very high | 89 Ų | 89 | 86.2 Ų | 86.2 | 48% | 0.476 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -75.5 | -47 | -175.1 | -60.4 | -55.7 | 0 | 0 | 0 | 111.8 | Q114 L118 K119 H120 | Q114-D116 VanDerWaalsContact C-N 3.29Å; Q114-D116 PolarHBondContact O-N 2.73Å; D116-L118 VanDerWaalsContact C-N 3.32Å; D116-L118 PolarHBondContact O-N 2.86Å; D116-K119 PolarHBondContact O-N 3.45Å; D116-H120 PolarHBondContact O-N 3.41Å |
| 117 | P | 95.3 | Very high | 93.4 | Very high | 78 Ų | 78 | 87.5 Ų | 87.5 | 51% | 0.506 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -55 | -44.2 | 167.6 | -26.4 | 33.1 | 0 | 0 | 0 | 113.3 | Q114 K119 H120 E121 | Q114-P117 WeakPolarHBondContact O-CD 3.39Å; P117-K119 PolarHBondContact O-N 2.93Å; P117-H120 WeakPolarHBondContact O-CB 3.36Å; P117-H120 PolarHBondContact O-N 2.92Å; P117-H120 VanDerWaalsContact O-N 3.11Å; P117-E121 WeakPolarHBondContact O-CG 3.43Å; P117-E121 PolarHBondContact O-N 2.98Å |
| 118 | L | 91.5 | Very high | 93.2 | Very high | 82 Ų | 82 | 86.9 Ų | 86.9 | 43% | 0.429 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -60.8 | -44 | 179 | -179.6 | 66.2 | 0 | 0 | 0 | 111.7 | Q114 D116 H120 E121 M122 | Q114-L118 WeakPolarHBondContact O-CB 3.35Å; Q114-L118 PolarHBondContact O-N 3.32Å; D116-L118 VanDerWaalsContact C-N 3.32Å; D116-L118 PolarHBondContact O-N 2.86Å; L118-H120 VanDerWaalsContact C-N 3.29Å; L118-H120 PolarHBondContact O-N 3.27Å; L118-E121 PolarHBondContact O-N 3.47Å; L118-M122 HydrophobicContact CD1-CE 4.3Å; L118-M122 WeakPolarHBondContact O-CB 3.36Å; L118-M122 VanDerWaalsContact O-CG 3.26Å; L118-M122 WeakPolarHBondContact O-CG 3.48Å; L118-M122 PolarHBondContact O-N 3.4Å |
| 119 | K | 92.4 | Very high | 93.1 | Very high | 76 Ų | 76 | 85.7 Ų | 85.7 | 33% | 0.33 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -60.6 | -39.1 | 174.4 | -75.1 | 174.6 | -169.8 | -174.2 | 0 | 111.9 | R115 D116 P117 S123 I211 E215 | R115-K119 VanDerWaalsContact O-CG 3.23Å; R115-K119 WeakPolarHBondContact O-CG 3.35Å; R115-K119 PolarHBondContact O-N 3.07Å; D116-K119 PolarHBondContact O-N 3.45Å; P117-K119 PolarHBondContact O-N 2.93Å; K119-S123 WeakPolarHBondContact O-CB 3.46Å; K119-S123 PolarHBondContact O-N 2.95Å; K119-I211 HydrophobicContact CG-CD1 4.29Å; K119-E215 WeakPolarHBondContact CE-OE1 3.47Å; K119-E215 IonicContact NZ-OE1 3.97Å; K119-E215 PolarHBondContact NZ-OE1 3.34Å |
| 120 | H | 94.2 | Very high | 92.9 | Very high | 121 Ų | 121 | 81.7 Ų | 81.7 | 56% | 0.56 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -66.8 | -49.3 | 178.3 | -173.9 | 69.6 | 0 | 0 | 0 | 112.1 | D116 P117 L118 M122 S123 V124 | D116-H120 PolarHBondContact O-N 3.41Å; P117-H120 WeakPolarHBondContact O-CB 3.36Å; P117-H120 PolarHBondContact O-N 2.92Å; P117-H120 VanDerWaalsContact O-N 3.11Å; L118-H120 VanDerWaalsContact C-N 3.29Å; L118-H120 PolarHBondContact O-N 3.27Å; H120-M122 VanDerWaalsContact C-N 3.31Å; H120-M122 PolarHBondContact O-N 3.22Å; H120-S123 WeakPolarHBondContact O-CA 3.41Å; H120-S123 WeakPolarHBondContact O-CB 3.34Å; H120-S123 PolarHBondContact O-N 3.31Å; H120-V124 PolarHBondContact O-N 2.86Å |
| 121 | E | 93.4 | Very high | 92.9 | Very high | 115 Ų | 115 | 79.5 Ų | 79.5 | 54% | 0.537 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -57.7 | -44.7 | 176.5 | -71.3 | -62.2 | 152.2 | 0 | 0 | 111.5 | P117 L118 S123 V124 I125 | P117-E121 WeakPolarHBondContact O-CG 3.43Å; P117-E121 PolarHBondContact O-N 2.98Å; L118-E121 PolarHBondContact O-N 3.47Å; E121-S123 VanDerWaalsContact C-N 3.29Å; E121-S123 PolarHBondContact O-N 2.96Å; E121-V124 PolarHBondContact O-N 3.44Å; E121-I125 WeakPolarHBondContact O-CG1 3.07Å; E121-I125 PolarHBondContact O-N 2.87Å |
| 122 | M | 91.4 | Very high | 92.8 | Very high | 86 Ų | 86 | 78.8 Ų | 78.8 | 42% | 0.424 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -60.7 | -39.1 | 174.5 | -73.1 | -67 | 179.7 | 0 | 0 | 112.1 | L118 H120 V124 I125 I126 W156 | L118-M122 HydrophobicContact CD1-CE 4.3Å; L118-M122 WeakPolarHBondContact O-CB 3.36Å; L118-M122 VanDerWaalsContact O-CG 3.26Å; L118-M122 WeakPolarHBondContact O-CG 3.48Å; L118-M122 PolarHBondContact O-N 3.4Å; H120-M122 VanDerWaalsContact C-N 3.31Å; H120-M122 PolarHBondContact O-N 3.22Å; M122-V124 VanDerWaalsContact C-N 3.34Å; M122-V124 PolarHBondContact O-N 3.37Å; M122-I125 PolarHBondContact O-N 3.42Å; M122-I126 HydrophobicContact CB-CD1 4.47Å; M122-I126 VanDerWaalsContact O-CB 3.3Å; M122-I126 WeakPolarHBondContact O-CB 3.31Å; M122-I126 VanDerWaalsContact O-CG1 3.3Å; M122-I126 WeakPolarHBondContact O-CG1 3.31Å; M122-I126 PolarHBondContact O-N 3.04Å; M122-W156 HydrophobicContact CB-CH2 3.86Å; M122-W156 HydrophobicContact CB-CZ2 4.23Å |
| 123 | S | 94.2 | Very high | 92.6 | Very high | 22 Ų | 22 | 71.1 Ų | 71.1 | 15% | 0.154 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -59.8 | -44.4 | 175.3 | -168.5 | 0 | 0 | 0 | 0 | 111.9 | K119 H120 E121 R127 W156 | K119-S123 WeakPolarHBondContact O-CB 3.46Å; K119-S123 PolarHBondContact O-N 2.95Å; H120-S123 WeakPolarHBondContact O-CA 3.41Å; H120-S123 WeakPolarHBondContact O-CB 3.34Å; H120-S123 PolarHBondContact O-N 3.31Å; E121-S123 VanDerWaalsContact C-N 3.29Å; E121-S123 PolarHBondContact O-N 2.96Å; S123-R127 VanDerWaalsContact O-CB 3.26Å; S123-R127 WeakPolarHBondContact O-CB 3.47Å; S123-R127 VanDerWaalsContact O-CG 3.25Å; S123-R127 WeakPolarHBondContact O-CG 3.21Å; S123-R127 PolarHBondContact O-N 2.94Å; S123-W156 VanDerWaalsContact CB-NE1 3.28Å; S123-W156 PolarHBondContact OG-NE1 3.13Å |
| 124 | V | 92.8 | Very high | 92.1 | Very high | 80 Ų | 80 | 68 Ų | 68 | 49% | 0.485 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -63.5 | -48 | 178.7 | 175.1 | 0 | 0 | 0 | 0 | 110.7 | H120 E121 M122 G128 | H120-V124 PolarHBondContact O-N 2.86Å; E121-V124 PolarHBondContact O-N 3.44Å; M122-V124 VanDerWaalsContact C-N 3.34Å; M122-V124 PolarHBondContact O-N 3.37Å; V124-G128 PolarHBondContact O-N 3.02Å |
| 125 | I | 90.2 | Very high | 91.3 | Very high | 102 Ų | 102 | 63.6 Ų | 63.6 | 52% | 0.523 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -60.7 | -49.5 | 179.8 | -66.7 | 166.6 | 0 | 0 | 0 | 110.8 | E121 M122 G128 L129 | E121-I125 WeakPolarHBondContact O-CG1 3.07Å; E121-I125 PolarHBondContact O-N 2.87Å; M122-I125 PolarHBondContact O-N 3.42Å; I125-G128 PolarHBondContact O-N 2.9Å; I125-L129 PolarHBondContact O-N 2.87Å |
| 126 | I | 92.3 | Very high | 90.4 | Very high | 20 Ų | 20 | 65.2 Ų | 65.2 | 10% | 0.103 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -70.6 | -40.4 | -175.4 | -70.6 | 165.7 | 0 | 0 | 0 | 111.2 | M122 G128 L129 I130 W144 W156 | M122-I126 HydrophobicContact CB-CD1 4.47Å; M122-I126 VanDerWaalsContact O-CB 3.3Å; M122-I126 WeakPolarHBondContact O-CB 3.31Å; M122-I126 VanDerWaalsContact O-CG1 3.3Å; M122-I126 WeakPolarHBondContact O-CG1 3.31Å; M122-I126 PolarHBondContact O-N 3.04Å; I126-G128 VanDerWaalsContact C-N 3.34Å; I126-L129 WeakPolarHBondContact O-CB 3.46Å; I126-L129 PolarHBondContact O-N 3.2Å; I126-I130 HydrophobicContact CG2-CD1 3.96Å; I126-I130 HydrophobicContact CG2-CG1 4.48Å; I126-I130 WeakPolarHBondContact O-CG1 3.14Å; I126-I130 PolarHBondContact O-N 3.32Å; I126-W144 HydrophobicContact CB-CZ3 4.44Å; I126-W144 HydrophobicContact CD1-CE3 4.38Å; I126-W144 HydrophobicContact CD1-CH2 4.22Å; I126-W144 HydrophobicContact CD1-CZ3 3.68Å; I126-W144 HydrophobicContact CG1-CE3 4.3Å; I126-W144 HydrophobicContact CG1-CZ3 4.01Å; I126-W144 HydrophobicContact CG2-CD2 4.13Å; I126-W144 HydrophobicContact CG2-CE3 3.95Å; I126-W144 HydrophobicContact CG2-CH2 3.34Å; I126-W144 HydrophobicContact CG2-CZ2 3.49Å; I126-W144 VanDerWaalsContact CG2-CZ2 3.49Å; I126-W144 HydrophobicContact CG2-CZ3 3.57Å; I126-W156 HydrophobicContact CB-CE3 4.27Å; I126-W156 HydrophobicContact CD1-CD2 4.32Å; I126-W156 HydrophobicContact CD1-CE3 3.36Å; I126-W156 HydrophobicContact CD1-CH2 3.98Å; I126-W156 HydrophobicContact CD1-CZ3 3.16Å; I126-W156 HydrophobicContact CG1-CE3 4.4Å; I126-W156 HydrophobicContact CG2-CB 4.1Å; I126-W156 HydrophobicContact CG2-CE3 4.07Å |
| 127 | R | 93 | Very high | 89 | Confident | 99 Ų | 99 | 65.4 Ų | 65.4 | 37% | 0.374 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -64.9 | -40.2 | 174.4 | -72 | -179.3 | 74.5 | -162.8 | 8.8 | 111.3 | S123 L129 I130 V131 W156 E164 | S123-R127 VanDerWaalsContact O-CB 3.26Å; S123-R127 WeakPolarHBondContact O-CB 3.47Å; S123-R127 VanDerWaalsContact O-CG 3.25Å; S123-R127 WeakPolarHBondContact O-CG 3.21Å; S123-R127 PolarHBondContact O-N 2.94Å; R127-L129 VanDerWaalsContact C-N 3.27Å; R127-L129 PolarHBondContact O-N 3.46Å; R127-I130 PolarHBondContact O-N 3.39Å; R127-V131 VanDerWaalsContact O-CG2 3.29Å; R127-V131 WeakPolarHBondContact O-CG2 3.36Å; R127-V131 PolarHBondContact O-N 3.47Å; R127-W156 HydrophobicContact CG-CB 4.5Å; R127-E164 IonicContact CZ-OE1 2.72Å; R127-E164 IonicContact CZ-OE2 2.6Å; R127-E164 IonicContact NE-OE1 2.71Å; R127-E164 IonicContact NE-OE2 2.83Å; R127-E164 PolarHBondContact NE-OE2 3.23Å; R127-E164 IonicContact NH2-OE1 3.62Å; R127-E164 PolarHBondContact NH2-OE1 3.5Å; R127-E164 IonicContact NH2-OE2 3.44Å; R127-E164 PolarHBondContact NH2-OE2 2.97Å |
| 128 | G | 90.6 | Very high | 87.7 | Confident | 32 Ų | 32 | 66 Ų | 66 | 33% | 0.33 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -59.9 | -37.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | V124 I125 I126 N132 | V124-G128 PolarHBondContact O-N 3.02Å; I125-G128 PolarHBondContact O-N 2.9Å; I126-G128 VanDerWaalsContact C-N 3.34Å; G128-N132 PolarHBondContact O-N 3.28Å; G128-N132 PolarHBondContact O-ND2 3.29Å; G128-N132 VanDerWaalsContact O-ND2 3.14Å |
| 129 | L | 89.9 | Confident | 86.6 | Confident | 33 Ų | 33 | 62.6 Ų | 62.6 | 17% | 0.173 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -64.5 | -48.6 | 172.1 | -179 | 162.3 | 0 | 0 | 0 | 111.5 | I125 I126 R127 V131 N132 Y133 W144 | I125-L129 PolarHBondContact O-N 2.87Å; I126-L129 WeakPolarHBondContact O-CB 3.46Å; I126-L129 PolarHBondContact O-N 3.2Å; R127-L129 VanDerWaalsContact C-N 3.27Å; R127-L129 PolarHBondContact O-N 3.46Å; L129-V131 PolarHBondContact O-N 2.92Å; L129-N132 CarbonylContact O-C 3.56Å; L129-N132 PolarHBondContact O-N 3.08Å; L129-Y133 HydrophobicContact CD2-CD2 4.18Å; L129-Y133 WeakPolarHBondContact O-CB 3.48Å; L129-Y133 PolarHBondContact O-N 2.6Å; L129-W144 HydrophobicContact CD1-CB 4.19Å; L129-W144 HydrophobicContact CD2-CB 3.8Å; L129-W144 HydrophobicContact CD2-CG 3.73Å |
| 130 | I | 92.9 | Very high | 85.7 | Confident | 1 Ų | 1 | 61.9 Ų | 61.9 | 1% | 0.005 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -61 | -44.3 | 179.1 | -68.5 | 166.3 | 0 | 0 | 0 | 111 | I126 R127 N132 Y133 W144 N161 W162 N165 | I126-I130 HydrophobicContact CG2-CD1 3.96Å; I126-I130 HydrophobicContact CG2-CG1 4.48Å; I126-I130 WeakPolarHBondContact O-CG1 3.14Å; I126-I130 PolarHBondContact O-N 3.32Å; R127-I130 PolarHBondContact O-N 3.39Å; I130-N132 VanDerWaalsContact C-N 3.28Å; I130-N132 PolarHBondContact O-N 2.93Å; I130-Y133 WeakPolarHBondContact O-CB 3.45Å; I130-Y133 PolarHBondContact O-N 3.45Å; I130-W144 HydrophobicContact CD1-CZ2 4.08Å; I130-N161 HydrophobicContact CD1-CB 4.27Å; I130-W162 HydrophobicContact CG1-CZ2 4.35Å; I130-W162 HydrophobicContact CG2-CD2 3.94Å; I130-W162 HydrophobicContact CG2-CE3 3.85Å; I130-W162 HydrophobicContact CG2-CG 4.42Å; I130-W162 HydrophobicContact CG2-CZ3 4.19Å; I130-N165 PolarHBondContact O-ND2 2.96Å |
| 131 | V | 93.7 | Very high | 85.2 | Confident | 40 Ų | 40 | 56.4 Ų | 56.4 | 24% | 0.242 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -58.5 | -42.1 | 180 | 169 | 0 | 0 | 0 | 0 | 111.5 | R127 L129 E164 N165 I166 | R127-V131 VanDerWaalsContact O-CG2 3.29Å; R127-V131 WeakPolarHBondContact O-CG2 3.36Å; R127-V131 PolarHBondContact O-N 3.47Å; L129-V131 PolarHBondContact O-N 2.92Å; V131-E164 HydrophobicContact CG2-CB 3.98Å; V131-N165 PolarHBondContact O-ND2 2.94Å; V131-I166 HydrophobicContact CG1-CG2 4.15Å; V131-I166 PolarHBondContact O-N 3.35Å; V131-I166 VanDerWaalsContact O-N 3.17Å |
| 132 | N | 90.3 | Very high | 84.4 | Confident | 94 Ų | 94 | 53.1 Ų | 53.1 | 50% | 0.503 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.9 | 8.8 | -177.1 | -66.4 | -47.2 | 0 | 0 | 0 | 114.2 | G128 L129 I130 T134 | G128-N132 PolarHBondContact O-N 3.28Å; G128-N132 PolarHBondContact O-ND2 3.29Å; G128-N132 VanDerWaalsContact O-ND2 3.14Å; L129-N132 CarbonylContact O-C 3.56Å; L129-N132 PolarHBondContact O-N 3.08Å; I130-N132 VanDerWaalsContact C-N 3.28Å; I130-N132 PolarHBondContact O-N 2.93Å; N132-T134 PolarHBondContact O-N 3.46Å |
| 133 | Y | 89.3 | Confident | 83.9 | Confident | 1 Ų | 1 | 51 Ų | 51 | 0% | 0.004 | 28% | 0.28 | C | S | . | . | trans | -66.7 | 119.4 | -178.5 | -174 | -75.6 | 0 | 0 | 0 | 109.7 | L129 I130 E141 D145 W162 N165 G194 L195 | L129-Y133 HydrophobicContact CD2-CD2 4.18Å; L129-Y133 WeakPolarHBondContact O-CB 3.48Å; L129-Y133 PolarHBondContact O-N 2.6Å; I130-Y133 WeakPolarHBondContact O-CB 3.45Å; I130-Y133 PolarHBondContact O-N 3.45Å; Y133-E141 WeakPolarHBondContact CA-OE1 3.41Å; Y133-E141 HydrophobicContact CD2-CB 3.72Å; Y133-E141 HydrophobicContact CD2-CG 3.44Å; Y133-E141 VanDerWaalsContact CD2-CG 3.44Å; Y133-E141 HydrophobicContact CE2-CB 3.36Å; Y133-E141 HydrophobicContact CE2-CG 3.66Å; Y133-E141 HydrophobicContact CG-CG 4.06Å; Y133-D145 VanDerWaalsContact OH-CG 3.29Å; Y133-D145 PolarHBondContact OH-OD1 2.87Å; Y133-D145 PolarHBondContact OH-OD2 3.45Å; Y133-W162 HydrophobicContact CD1-CH2 4.08Å; Y133-W162 AromaticContact CD1-CZ3 3.82Å; Y133-W162 HydrophobicContact CD1-CZ3 3.82Å; Y133-W162 AromaticContact CD2-CH2 3.66Å; Y133-W162 HydrophobicContact CD2-CH2 3.66Å; Y133-W162 HydrophobicContact CD2-CZ3 4.12Å; Y133-W162 HydrophobicContact CE1-CH2 4.36Å; Y133-W162 HydrophobicContact CE1-CZ3 4.39Å; Y133-W162 AromaticContact CE2-CH2 3.95Å; Y133-W162 HydrophobicContact CE2-CH2 3.95Å; Y133-W162 AromaticContact CG-CH2 3.75Å; Y133-W162 HydrophobicContact CG-CH2 3.75Å; Y133-W162 AromaticContact CG-CZ3 3.7Å; Y133-W162 HydrophobicContact CG-CZ3 3.7Å; Y133-N165 PolarHBondContact O-ND2 3.36Å; Y133-G194 WeakPolarHBondContact OH-CA 3.33Å; Y133-G194 PolarHBondContact OH-N 2.88Å; Y133-L195 HydrophobicContact CD1-CD2 4.11Å; Y133-L195 HydrophobicContact CD1-CG 4.25Å; Y133-L195 HydrophobicContact CE1-CD2 4.16Å; Y133-L195 HydrophobicContact CE1-CG 4.18Å | ||
| 134 | T | 85.6 | Confident | 83.7 | Confident | 35 Ų | 35 | 50.7 Ų | 50.7 | 22% | 0.215 | 28% | 0.275 | C | S | . | . | trans | -106.9 | -15.9 | 179.8 | 60.3 | 0 | 0 | 0 | 0 | 113.5 | N132 Q136 E141 L167 | N132-T134 PolarHBondContact O-N 3.46Å; T134-Q136 PolarHBondContact O-N 3.05Å; T134-E141 PolarHBondContact N-OE1 2.98Å; T134-L167 HydrophobicContact CG2-CD1 4.35Å | ||
| 135 | G | 78.8 | Confident | 83.4 | Confident | 14 Ų | 14 | 47 Ų | 47 | 14% | 0.144 | 25% | 0.252 | C | S | . | . | trans | 69 | 24.7 | -175.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | N137 E141 | G135-N137 VanDerWaalsContact C-N 3.3Å; G135-E141 WeakPolarHBondContact CA-OE2 3.36Å; G135-E141 PolarHBondContact N-OE2 3.37Å | ||
| 136 | Q | 72.6 | Confident | 83.2 | Confident | 150 Ų | 150 | 48.7 Ų | 48.7 | 70% | 0.701 | 26% | 0.256 | S | S | * | . | S | Bend | trans | -97 | 31.4 | 179.2 | -68.1 | -175.3 | -29.2 | 0 | 0 | 111.9 | T134 K138 E141 | T134-Q136 PolarHBondContact O-N 3.05Å; Q136-K138 VanDerWaalsContact C-N 3.34Å; Q136-K138 PolarHBondContact O-N 3.04Å; Q136-E141 PolarHBondContact N-OE2 2.87Å |
| 137 | N | 64.1 | Low | 83.1 | Confident | 93 Ų | 93 | 50 Ų | 50 | 50% | 0.497 | 27% | 0.265 | S | S | . | . | trans | 60.3 | 36 | 176.3 | -61.4 | -19.3 | 0 | 0 | 0 | 114.7 | G135 H142 | G135-N137 VanDerWaalsContact C-N 3.3Å; N137-H142 VanDerWaalsContact CA-NE2 3.26Å; N137-H142 WeakPolarHBondContact CA-NE2 3.45Å; N137-H142 VanDerWaalsContact CB-NE2 3.28Å; N137-H142 WeakPolarHBondContact CB-NE2 3.32Å; N137-H142 PolarHBondContact OD1-CE1 3.46Å; N137-H142 PolarHBondContact OD1-NE2 3.18Å | ||
| 138 | K | 69.1 | Low | 83.1 | Confident | 91 Ų | 91 | 45.2 Ų | 45.2 | 40% | 0.396 | 25% | 0.247 | S | C | . | . | trans | -69.3 | 148.1 | 165.3 | -63.6 | 178.7 | -173.5 | 163.3 | 0 | 108.9 | Q136 E141 H142 | Q136-K138 VanDerWaalsContact C-N 3.34Å; Q136-K138 PolarHBondContact O-N 3.04Å; K138-E141 HydrophobicContact CB-CB 4.32Å; K138-E141 HydrophobicContact CB-CG 3.89Å; K138-E141 VanDerWaalsContact O-CB 3.25Å; K138-E141 WeakPolarHBondContact O-CB 3.45Å; K138-E141 PolarHBondContact O-N 3.03Å; K138-H142 PolarHBondContact O-CD2 3.41Å; K138-H142 PolarHBondContact O-N 3.23Å | ||
| 139 | T | 67.7 | Low | 83 | Confident | 9 Ų | 9 | 47 Ų | 47 | 6% | 0.055 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -80.6 | -23.3 | -174.7 | 62 | 0 | 0 | 0 | 0 | 115.9 | S53 S54 H142 A143 | S53-T139 WeakPolarHBondContact O-CG2 3.49Å; S54-T139 WeakPolarHBondContact CA-OG1 3.47Å; S54-T139 WeakPolarHBondContact CB-OG1 3.24Å; S54-T139 WeakPolarHBondContact OG-CG2 3.44Å; T139-H142 PolarHBondContact O-N 3.39Å; T139-A143 VanDerWaalsContact O-CB 3.29Å; T139-A143 WeakPolarHBondContact O-CB 3.27Å; T139-A143 PolarHBondContact O-N 3.4Å |
| 140 | T | 74.3 | Confident | 82.9 | Confident | 62 Ų | 62 | 49.3 Ų | 49.3 | 38% | 0.38 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -61 | -40 | 167.7 | 48.9 | 0 | 0 | 0 | 0 | 109.3 | W144 | T140-W144 VanDerWaalsContact O-CB 3.28Å; T140-W144 WeakPolarHBondContact O-CB 3.18Å; T140-W144 PolarHBondContact O-N 2.9Å |
| 141 | E | 82.3 | Confident | 82.9 | Confident | 5 Ų | 5 | 51 Ų | 51 | 2% | 0.023 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -63.3 | -46.7 | 172.7 | -60.1 | 179.1 | 178.4 | 0 | 0 | 111.7 | Y133 T134 G135 Q136 K138 W144 D145 | Y133-E141 WeakPolarHBondContact CA-OE1 3.41Å; Y133-E141 HydrophobicContact CD2-CB 3.72Å; Y133-E141 HydrophobicContact CD2-CG 3.44Å; Y133-E141 VanDerWaalsContact CD2-CG 3.44Å; Y133-E141 HydrophobicContact CE2-CB 3.36Å; Y133-E141 HydrophobicContact CE2-CG 3.66Å; Y133-E141 HydrophobicContact CG-CG 4.06Å; T134-E141 PolarHBondContact N-OE1 2.98Å; G135-E141 WeakPolarHBondContact CA-OE2 3.36Å; G135-E141 PolarHBondContact N-OE2 3.37Å; Q136-E141 PolarHBondContact N-OE2 2.87Å; K138-E141 HydrophobicContact CB-CB 4.32Å; K138-E141 HydrophobicContact CB-CG 3.89Å; K138-E141 VanDerWaalsContact O-CB 3.25Å; K138-E141 WeakPolarHBondContact O-CB 3.45Å; K138-E141 PolarHBondContact O-N 3.03Å; E141-W144 PolarHBondContact O-N 2.84Å; E141-D145 WeakPolarHBondContact O-CB 3.23Å; E141-D145 PolarHBondContact O-N 2.91Å |
| 142 | H | 78.4 | Confident | 82.9 | Confident | 47 Ų | 47 | 55.8 Ų | 55.8 | 22% | 0.218 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -64.3 | -41.1 | 176.5 | -75.1 | -62.5 | 0 | 0 | 0 | 113.9 | N137 K138 T139 W144 D145 F146 F193 | N137-H142 VanDerWaalsContact CA-NE2 3.26Å; N137-H142 WeakPolarHBondContact CA-NE2 3.45Å; N137-H142 VanDerWaalsContact CB-NE2 3.28Å; N137-H142 WeakPolarHBondContact CB-NE2 3.32Å; N137-H142 PolarHBondContact OD1-CE1 3.46Å; N137-H142 PolarHBondContact OD1-NE2 3.18Å; K138-H142 PolarHBondContact O-CD2 3.41Å; K138-H142 PolarHBondContact O-N 3.23Å; T139-H142 PolarHBondContact O-N 3.39Å; H142-W144 VanDerWaalsContact C-N 3.29Å; H142-W144 PolarHBondContact O-N 3.48Å; H142-D145 PolarHBondContact O-N 3.42Å; H142-F146 WeakPolarHBondContact O-CB 3.31Å; H142-F146 PolarHBondContact O-N 3.4Å; H142-F193 AromaticContact ND1-CD1 3.45Å; H142-F193 WeakPolarHBondContact ND1-CD1 3.43Å; H142-F193 AromaticContact ND1-CE1 3.89Å; H142-F193 AromaticContact ND1-CG 3.94Å |
| 143 | A | 80.9 | Confident | 83.1 | Confident | 42 Ų | 42 | 51.3 Ų | 51.3 | 35% | 0.347 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -63.1 | -41.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | T139 F146 V147 | T139-A143 VanDerWaalsContact O-CB 3.29Å; T139-A143 WeakPolarHBondContact O-CB 3.27Å; T139-A143 PolarHBondContact O-N 3.4Å; A143-F146 PolarHBondContact O-N 3.01Å; A143-V147 WeakPolarHBondContact O-CG2 3.47Å; A143-V147 PolarHBondContact O-N 2.8Å |
| 144 | W | 88.7 | Confident | 83.3 | Confident | 15 Ų | 15 | 51.3 Ų | 51.3 | 6% | 0.057 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -66.3 | -40.8 | 175.3 | -173.3 | -116.4 | 0 | 0 | 0 | 112.5 | I126 L129 I130 T140 E141 H142 F146 V147 Q148 W156 W162 C210 | I126-W144 HydrophobicContact CB-CZ3 4.44Å; I126-W144 HydrophobicContact CD1-CE3 4.38Å; I126-W144 HydrophobicContact CD1-CH2 4.22Å; I126-W144 HydrophobicContact CD1-CZ3 3.68Å; I126-W144 HydrophobicContact CG1-CE3 4.3Å; I126-W144 HydrophobicContact CG1-CZ3 4.01Å; I126-W144 HydrophobicContact CG2-CD2 4.13Å; I126-W144 HydrophobicContact CG2-CE3 3.95Å; I126-W144 HydrophobicContact CG2-CH2 3.34Å; I126-W144 HydrophobicContact CG2-CZ2 3.49Å; I126-W144 VanDerWaalsContact CG2-CZ2 3.49Å; I126-W144 HydrophobicContact CG2-CZ3 3.57Å; L129-W144 HydrophobicContact CD1-CB 4.19Å; L129-W144 HydrophobicContact CD2-CB 3.8Å; L129-W144 HydrophobicContact CD2-CG 3.73Å; I130-W144 HydrophobicContact CD1-CZ2 4.08Å; T140-W144 VanDerWaalsContact O-CB 3.28Å; T140-W144 WeakPolarHBondContact O-CB 3.18Å; T140-W144 PolarHBondContact O-N 2.9Å; E141-W144 PolarHBondContact O-N 2.84Å; H142-W144 VanDerWaalsContact C-N 3.29Å; H142-W144 PolarHBondContact O-N 3.48Å; W144-F146 VanDerWaalsContact C-N 3.34Å; W144-F146 PolarHBondContact O-N 3.24Å; W144-V147 HydrophobicContact CE3-CB 4.42Å; W144-V147 HydrophobicContact CE3-CG1 4.46Å; W144-V147 HydrophobicContact CZ3-CG1 4.11Å; W144-V147 PolarHBondContact O-N 3.48Å; W144-Q148 HydrophobicContact CZ2-CG 4.14Å; W144-Q148 VanDerWaalsContact NE1-CD 3.35Å; W144-Q148 VanDerWaalsContact NE1-NE2 3.12Å; W144-Q148 WeakPolarHBondContact O-CG 3.37Å; W144-Q148 PolarHBondContact O-N 3.46Å; W144-W156 HydrophobicContact CH2-CE3 4.16Å; W144-W162 AromaticContact NE1-CZ2 3.73Å; W144-C210 HydrophobicContact CH2-CB 3.84Å |
| 145 | D | 86.7 | Confident | 83.8 | Confident | 1 Ų | 1 | 49.7 Ų | 49.7 | 1% | 0.005 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -62.4 | -41.3 | 174.1 | -73.7 | -22 | 0 | 0 | 0 | 111.9 | Y133 E141 H142 Q148 R149 S179 F193 | Y133-D145 VanDerWaalsContact OH-CG 3.29Å; Y133-D145 PolarHBondContact OH-OD1 2.87Å; Y133-D145 PolarHBondContact OH-OD2 3.45Å; E141-D145 WeakPolarHBondContact O-CB 3.23Å; E141-D145 PolarHBondContact O-N 2.91Å; H142-D145 PolarHBondContact O-N 3.42Å; D145-Q148 PolarHBondContact O-N 2.84Å; D145-R149 WeakPolarHBondContact O-CG 3.43Å; D145-R149 PolarHBondContact O-N 3.25Å; D145-R149 VanDerWaalsContact O-N 3.07Å; D145-S179 VanDerWaalsContact OD1-CB 3.3Å; D145-S179 WeakPolarHBondContact OD1-CB 3.01Å; D145-S179 PolarHBondContact OD1-OG 2.92Å; D145-F193 HydrophobicContact CB-CD1 3.88Å; D145-F193 HydrophobicContact CB-CE1 4.28Å |
| 146 | F | 85.8 | Confident | 84.6 | Confident | 138 Ų | 138 | 50.2 Ų | 50.2 | 61% | 0.605 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -61.5 | -44.2 | 175.1 | 178.2 | -95.3 | 0 | 0 | 0 | 111.7 | H142 A143 W144 T150 | H142-F146 WeakPolarHBondContact O-CB 3.31Å; H142-F146 PolarHBondContact O-N 3.4Å; A143-F146 PolarHBondContact O-N 3.01Å; W144-F146 VanDerWaalsContact C-N 3.34Å; W144-F146 PolarHBondContact O-N 3.24Å; F146-T150 WeakPolarHBondContact CE1-OG1 3.22Å; F146-T150 WeakPolarHBondContact CZ-OG1 3.37Å; F146-T150 WeakPolarHBondContact O-CB 3.32Å; F146-T150 PolarHBondContact O-N 3.31Å; F146-T150 PolarHBondContact O-OG1 2.92Å |
| 147 | V | 90.6 | Very high | 85.7 | Confident | 47 Ų | 47 | 47.4 Ų | 47.4 | 29% | 0.285 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -60.3 | -50.5 | 176.1 | 169.4 | 0 | 0 | 0 | 0 | 110.5 | A143 W144 R149 T150 M151 | A143-V147 WeakPolarHBondContact O-CG2 3.47Å; A143-V147 PolarHBondContact O-N 2.8Å; W144-V147 HydrophobicContact CE3-CB 4.42Å; W144-V147 HydrophobicContact CE3-CG1 4.46Å; W144-V147 HydrophobicContact CZ3-CG1 4.11Å; W144-V147 PolarHBondContact O-N 3.48Å; V147-R149 VanDerWaalsContact C-N 3.33Å; V147-R149 PolarHBondContact O-N 2.99Å; V147-T150 PolarHBondContact O-N 3.32Å; V147-M151 HydrophobicContact CG1-CG 4.2Å; V147-M151 WeakPolarHBondContact O-CB 3.29Å; V147-M151 VanDerWaalsContact O-CG 3.27Å; V147-M151 WeakPolarHBondContact O-CG 3.25Å; V147-M151 PolarHBondContact O-N 3.46Å |
| 148 | Q | 92.5 | Very high | 87.2 | Confident | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -58.3 | -42.8 | -178.3 | -75.7 | 178.9 | 112.5 | 0 | 0 | 112.5 | W144 D145 K152 C153 W162 S179 C180 | W144-Q148 HydrophobicContact CZ2-CG 4.14Å; W144-Q148 VanDerWaalsContact NE1-CD 3.35Å; W144-Q148 VanDerWaalsContact NE1-NE2 3.12Å; W144-Q148 WeakPolarHBondContact O-CG 3.37Å; W144-Q148 PolarHBondContact O-N 3.46Å; D145-Q148 PolarHBondContact O-N 2.84Å; Q148-K152 VanDerWaalsContact O-CA 3.31Å; Q148-K152 WeakPolarHBondContact O-CA 3.3Å; Q148-K152 PolarHBondContact O-N 2.85Å; Q148-C153 WeakPolarHBondContact CB-O 3.37Å; Q148-C153 PolarHBondContact O-N 2.83Å; Q148-W162 VanDerWaalsContact OE1-NE1 3.17Å; Q148-S179 PolarHBondContact NE2-OG 3.34Å; Q148-C180 PolarHBondContact OE1-SG 2.86Å |
| 149 | R | 88.1 | Confident | 88.3 | Confident | 70 Ų | 70 | 40.7 Ų | 40.7 | 26% | 0.264 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -71.7 | -48.2 | 176.8 | -67.3 | -163.7 | -149 | 151.4 | 21.1 | 113.4 | D145 V147 M151 K152 S179 E192 F193 | D145-R149 WeakPolarHBondContact O-CG 3.43Å; D145-R149 PolarHBondContact O-N 3.25Å; D145-R149 VanDerWaalsContact O-N 3.07Å; V147-R149 VanDerWaalsContact C-N 3.33Å; V147-R149 PolarHBondContact O-N 2.99Å; R149-M151 VanDerWaalsContact C-N 3.25Å; R149-M151 PolarHBondContact O-N 3.44Å; R149-K152 PolarHBondContact O-N 2.77Å; R149-K152 VanDerWaalsContact O-N 3.16Å; R149-S179 WeakPolarHBondContact CG-O 3.4Å; R149-E192 VanDerWaalsContact CZ-O 3.29Å; R149-E192 IonicContact CZ-OE2 3.73Å; R149-E192 VanDerWaalsContact NH1-CD 3.28Å; R149-E192 IonicContact NH1-OE2 2.73Å; R149-E192 PolarHBondContact NH1-OE2 2.99Å; R149-E192 VanDerWaalsContact NH2-CB 3.33Å; R149-E192 PolarHBondContact NH2-O 2.95Å; R149-E192 IonicContact NH2-OE2 3.73Å; R149-F193 VanDerWaalsContact NH2-CG 3.32Å |
| 150 | T | 89.3 | Confident | 89.5 | Confident | 80 Ų | 80 | 42.7 Ų | 42.7 | 49% | 0.491 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -61.8 | -39.7 | -176.9 | -58.5 | 0 | 0 | 0 | 0 | 110.8 | F146 V147 | F146-T150 WeakPolarHBondContact CE1-OG1 3.22Å; F146-T150 WeakPolarHBondContact CZ-OG1 3.37Å; F146-T150 WeakPolarHBondContact O-CB 3.32Å; F146-T150 PolarHBondContact O-N 3.31Å; F146-T150 PolarHBondContact O-OG1 2.92Å; V147-T150 PolarHBondContact O-N 3.32Å |
| 151 | M | 92.8 | Very high | 90.4 | Very high | 37 Ų | 37 | 40.2 Ų | 40.2 | 18% | 0.182 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.7 | 0.5 | -178.6 | -55.4 | -56.8 | -62.6 | 0 | 0 | 113.2 | V147 R149 C153 S213 V214 W217 | V147-M151 HydrophobicContact CG1-CG 4.2Å; V147-M151 WeakPolarHBondContact O-CB 3.29Å; V147-M151 VanDerWaalsContact O-CG 3.27Å; V147-M151 WeakPolarHBondContact O-CG 3.25Å; V147-M151 PolarHBondContact O-N 3.46Å; R149-M151 VanDerWaalsContact C-N 3.25Å; R149-M151 PolarHBondContact O-N 3.44Å; M151-C153 VanDerWaalsContact C-N 3.33Å; M151-C153 VanDerWaalsContact CB-SG 3.58Å; M151-C153 PolarHBondContact O-N 3.31Å; M151-S213 WeakPolarHBondContact CE-O 3.08Å; M151-S213 PolarHBondContact O-OG 2.96Å; M151-V214 HydrophobicContact CE-CB 4.32Å; M151-V214 HydrophobicContact CE-CG2 3.86Å; M151-V214 HydrophobicContact CG-CG2 4.15Å; M151-W217 HydrophobicContact CE-CB 3.39Å; M151-W217 HydrophobicContact CE-CD2 4.47Å; M151-W217 HydrophobicContact CE-CG 3.76Å |
| 152 | K | 92.1 | Very high | 91 | Very high | 140 Ų | 140 | 40.5 Ų | 40.5 | 61% | 0.609 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 45.9 | 54.5 | -178.1 | -61.7 | -175.8 | 177.9 | -176.3 | 0 | 112.3 | Q148 R149 F206 | Q148-K152 VanDerWaalsContact O-CA 3.31Å; Q148-K152 WeakPolarHBondContact O-CA 3.3Å; Q148-K152 PolarHBondContact O-N 2.85Å; R149-K152 PolarHBondContact O-N 2.77Å; R149-K152 VanDerWaalsContact O-N 3.16Å; K152-F206 VanDerWaalsContact C-CG 3.47Å; K152-F206 HydrophobicContact CB-CD1 4.16Å; K152-F206 HydrophobicContact CB-CE1 3.86Å; K152-F206 HydrophobicContact CB-CE2 4.27Å; K152-F206 HydrophobicContact CB-CG 4.5Å; K152-F206 HydrophobicContact CB-CZ 3.93Å; K152-F206 HydrophobicContact CG-CE1 4.31Å; K152-F206 HydrophobicContact CG-CZ 4.08Å; K152-F206 WeakPolarHBondContact O-CG 3.3Å |
| 153 | C | 94.9 | Very high | 91.5 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 24% | 0.237 | C | C | . | . | trans | -135.3 | 164.9 | -175.1 | 59.9 | 0 | 0 | 0 | 0 | 110.9 | Q148 M151 M208 C210 | Q148-C153 WeakPolarHBondContact CB-O 3.37Å; Q148-C153 PolarHBondContact O-N 2.83Å; M151-C153 VanDerWaalsContact C-N 3.33Å; M151-C153 VanDerWaalsContact CB-SG 3.58Å; M151-C153 PolarHBondContact O-N 3.31Å; C153-M208 CarbonylContact C-O 3.56Å; C153-M208 VanDerWaalsContact CA-O 3.23Å; C153-M208 WeakPolarHBondContact CA-O 3.37Å; C153-M208 VanDerWaalsContact CB-O 3.27Å; C153-M208 WeakPolarHBondContact CB-O 3.42Å; C153-C210 HydrophobicContact CB-CB 3.89Å; C153-C210 WeakPolarHBondContact CB-SG 3.26Å; C153-C210 WeakPolarHBondContact SG-CA 3.49Å; C153-C210 WeakPolarHBondContact SG-CB 3.34Å; C153-C210 CovalentContact SG-SG 2.03Å; C153-C210 PolarHBondContact SG-SG 3.07Å | ||
| 154 | C | 94.8 | Very high | 92.1 | Very high | 2 Ų | 2 | 43.1 Ų | 43.1 | 1% | 0.014 | 24% | 0.236 | C | C | . | . | trans | -134.6 | 131.6 | 176.1 | -169 | 0 | 0 | 0 | 0 | 112 | G158 P159 C180 F206 M208 | C154-G158 CarbonylContact O-C 3.57Å; C154-G158 VanDerWaalsContact O-CA 3.24Å; C154-G158 WeakPolarHBondContact O-CA 3.27Å; C154-P159 HydrophobicContact CB-CB 4.1Å; C154-C180 WeakPolarHBondContact CA-SG 3.44Å; C154-C180 HydrophobicContact CB-CB 3.6Å; C154-C180 WeakPolarHBondContact CB-SG 3.27Å; C154-C180 WeakPolarHBondContact SG-CB 3.37Å; C154-C180 CovalentContact SG-SG 2.04Å; C154-C180 PolarHBondContact SG-SG 2.85Å; C154-F206 HydrophobicContact CB-CB 4.29Å; C154-F206 WeakPolarHBondContact CB-O 3.29Å; C154-M208 PolarHBondContact N-O 3.18Å | ||
| 155 | G | 95.2 | Very high | 92.3 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 23% | 0.233 | C | C | . | . | S | Bend | trans | 64.7 | -174.8 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | C210 | G155-C210 VanDerWaalsContact O-CB 3.24Å; G155-C210 WeakPolarHBondContact O-CB 3.4Å; G155-C210 PolarHBondContact O-N 3.21Å; G155-C210 PolarHBondContact O-SG 3.3Å |
| 156 | W | 95.6 | Very high | 92.6 | Very high | 26 Ų | 26 | 45.9 Ų | 45.9 | 10% | 0.098 | 25% | 0.251 | C | S | . | . | S | Bend | trans | -77.3 | -62.9 | -179.6 | 178 | -112.1 | 0 | 0 | 0 | 111.3 | M122 S123 I126 R127 W144 N161 G209 C210 I211 | M122-W156 HydrophobicContact CB-CH2 3.86Å; M122-W156 HydrophobicContact CB-CZ2 4.23Å; S123-W156 VanDerWaalsContact CB-NE1 3.28Å; S123-W156 PolarHBondContact OG-NE1 3.13Å; I126-W156 HydrophobicContact CB-CE3 4.27Å; I126-W156 HydrophobicContact CD1-CD2 4.32Å; I126-W156 HydrophobicContact CD1-CE3 3.36Å; I126-W156 HydrophobicContact CD1-CH2 3.98Å; I126-W156 HydrophobicContact CD1-CZ3 3.16Å; I126-W156 HydrophobicContact CG1-CE3 4.4Å; I126-W156 HydrophobicContact CG2-CB 4.1Å; I126-W156 HydrophobicContact CG2-CE3 4.07Å; R127-W156 HydrophobicContact CG-CB 4.5Å; W144-W156 HydrophobicContact CH2-CE3 4.16Å; W156-N161 PolarHBondContact N-OD1 3.04Å; W156-G209 CarbonylContact O-C 3.53Å; W156-C210 PolarHBondContact O-N 3.3Å; W156-I211 HydrophobicContact CD2-CB 4.15Å; W156-I211 HydrophobicContact CE3-CB 4.3Å; W156-I211 HydrophobicContact CH2-CB 4.05Å; W156-I211 HydrophobicContact CH2-CD1 3.68Å; W156-I211 HydrophobicContact CH2-CG1 4.18Å; W156-I211 HydrophobicContact CZ2-CB 3.83Å; W156-I211 HydrophobicContact CZ2-CD1 3.73Å; W156-I211 HydrophobicContact CZ2-CG1 3.85Å; W156-I211 HydrophobicContact CZ3-CB 4.24Å; W156-I211 HydrophobicContact CZ3-CD1 4.48Å; W156-I211 VanDerWaalsContact O-CG2 3.32Å; W156-I211 WeakPolarHBondContact O-CG2 3.44Å; W156-I211 PolarHBondContact O-N 3.02Å |
| 157 | T | 95.8 | Very high | 92.8 | Very high | 91 Ų | 91 | 42.7 Ų | 42.7 | 56% | 0.558 | 24% | 0.24 | S | C | * | . | S | Bend | trans | -94.3 | -18.5 | 177.2 | 49.9 | 0 | 0 | 0 | 0 | 112.6 | N161 G209 I211 | T157-N161 PolarHBondContact N-OD1 3.37Å; T157-N161 PolarHBondContact OG1-ND2 3.22Å; T157-N161 PolarHBondContact OG1-OD1 3.44Å; T157-G209 VanDerWaalsContact C-CA 3.47Å; T157-G209 WeakPolarHBondContact O-CA 3.48Å; T157-I211 HydrophobicContact CG2-CG2 4.46Å |
| 158 | G | 95.3 | Very high | 92.7 | Very high | 10 Ų | 10 | 41.9 Ų | 41.9 | 10% | 0.103 | 23% | 0.233 | C | C | . | . | S | Bend | trans | 168.3 | 177.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | C154 G160 N161 | C154-G158 CarbonylContact O-C 3.57Å; C154-G158 VanDerWaalsContact O-CA 3.24Å; C154-G158 WeakPolarHBondContact O-CA 3.27Å; G158-G160 PolarHBondContact O-N 2.91Å; G158-G160 VanDerWaalsContact O-N 3.12Å; G158-N161 PolarHBondContact N-OD1 2.98Å; G158-N161 PolarHBondContact O-N 2.99Å; G158-N161 VanDerWaalsContact O-N 3.13Å; G158-N161 PolarHBondContact O-OD1 3.07Å; G158-N161 VanDerWaalsContact O-OD1 3.11Å |
| 159 | P | 92.6 | Very high | 92.6 | Very high | 32 Ų | 32 | 49.3 Ų | 49.3 | 21% | 0.208 | 27% | 0.266 | C | S | . | . | G | 310 helix | trans | -60.5 | -26.7 | -176.1 | 22.9 | -33.7 | 0 | 0 | 0 | 113.1 | C154 N161 W162 V205 E207 | C154-P159 HydrophobicContact CB-CB 4.1Å; P159-N161 PolarHBondContact O-N 3.27Å; P159-N161 VanDerWaalsContact O-N 3.1Å; P159-W162 WeakPolarHBondContact O-CB 3.42Å; P159-W162 PolarHBondContact O-N 3.36Å; P159-W162 VanDerWaalsContact O-N 3.08Å; P159-V205 HydrophobicContact CB-CG2 3.75Å; P159-V205 HydrophobicContact CG-CG2 4.35Å; P159-E207 WeakPolarHBondContact CD-O 3.19Å |
| 160 | G | 92.2 | Very high | 92.6 | Very high | 51 Ų | 51 | 52.3 Ų | 52.3 | 53% | 0.526 | 29% | 0.287 | S | S | . | . | G | 310 helix | trans | -57.2 | -23.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | G158 W162 S163 | G158-G160 PolarHBondContact O-N 2.91Å; G158-G160 VanDerWaalsContact O-N 3.12Å; G160-W162 PolarHBondContact O-N 2.71Å; G160-S163 WeakPolarHBondContact O-CB 3.36Å; G160-S163 PolarHBondContact O-N 2.89Å; G160-S163 VanDerWaalsContact O-N 3.07Å; G160-S163 PolarHBondContact O-OG 3.39Å |
| 161 | N | 94.6 | Very high | 92.2 | Very high | 11 Ų | 11 | 50.2 Ų | 50.2 | 6% | 0.059 | 28% | 0.281 | C | S | . | . | G | 310 helix | trans | -61.8 | -27.1 | 176.4 | -63.7 | 131.2 | 0 | 0 | 0 | 112.7 | I130 W156 T157 G158 P159 S163 E164 | I130-N161 HydrophobicContact CD1-CB 4.27Å; W156-N161 PolarHBondContact N-OD1 3.04Å; T157-N161 PolarHBondContact N-OD1 3.37Å; T157-N161 PolarHBondContact OG1-ND2 3.22Å; T157-N161 PolarHBondContact OG1-OD1 3.44Å; G158-N161 PolarHBondContact N-OD1 2.98Å; G158-N161 PolarHBondContact O-N 2.99Å; G158-N161 VanDerWaalsContact O-N 3.13Å; G158-N161 PolarHBondContact O-OD1 3.07Å; G158-N161 VanDerWaalsContact O-OD1 3.11Å; P159-N161 PolarHBondContact O-N 3.27Å; P159-N161 VanDerWaalsContact O-N 3.1Å; N161-S163 PolarHBondContact O-N 2.84Å; N161-E164 WeakPolarHBondContact O-CB 3.23Å; N161-E164 PolarHBondContact O-N 2.94Å |
| 162 | W | 93.3 | Very high | 91.4 | Very high | 11 Ų | 11 | 55.7 Ų | 55.7 | 4% | 0.042 | 32% | 0.317 | C | S | . | . | G | 310 helix | trans | -68.6 | -18.1 | 177.5 | -74.7 | 101 | 0 | 0 | 0 | 113.3 | I130 Y133 W144 Q148 P159 G160 E164 N165 I168 S177 C180 L195 | I130-W162 HydrophobicContact CG1-CZ2 4.35Å; I130-W162 HydrophobicContact CG2-CD2 3.94Å; I130-W162 HydrophobicContact CG2-CE3 3.85Å; I130-W162 HydrophobicContact CG2-CG 4.42Å; I130-W162 HydrophobicContact CG2-CZ3 4.19Å; Y133-W162 HydrophobicContact CD1-CH2 4.08Å; Y133-W162 AromaticContact CD1-CZ3 3.82Å; Y133-W162 HydrophobicContact CD1-CZ3 3.82Å; Y133-W162 AromaticContact CD2-CH2 3.66Å; Y133-W162 HydrophobicContact CD2-CH2 3.66Å; Y133-W162 HydrophobicContact CD2-CZ3 4.12Å; Y133-W162 HydrophobicContact CE1-CH2 4.36Å; Y133-W162 HydrophobicContact CE1-CZ3 4.39Å; Y133-W162 AromaticContact CE2-CH2 3.95Å; Y133-W162 HydrophobicContact CE2-CH2 3.95Å; Y133-W162 AromaticContact CG-CH2 3.75Å; Y133-W162 HydrophobicContact CG-CH2 3.75Å; Y133-W162 AromaticContact CG-CZ3 3.7Å; Y133-W162 HydrophobicContact CG-CZ3 3.7Å; W144-W162 AromaticContact NE1-CZ2 3.73Å; Q148-W162 VanDerWaalsContact OE1-NE1 3.17Å; P159-W162 WeakPolarHBondContact O-CB 3.42Å; P159-W162 PolarHBondContact O-N 3.36Å; P159-W162 VanDerWaalsContact O-N 3.08Å; G160-W162 PolarHBondContact O-N 2.71Å; W162-E164 PolarHBondContact O-N 3.35Å; W162-N165 HydrophobicContact CE3-CB 4.41Å; W162-N165 VanDerWaalsContact O-CB 3.26Å; W162-N165 WeakPolarHBondContact O-CB 2.97Å; W162-N165 PolarHBondContact O-N 2.83Å; W162-N165 VanDerWaalsContact O-N 3.12Å; W162-I168 HydrophobicContact CB-CD1 4.02Å; W162-I168 HydrophobicContact CE3-CD1 3.95Å; W162-I168 WeakPolarHBondContact O-CD1 3.47Å; W162-S177 WeakPolarHBondContact CZ2-OG 3.09Å; W162-C180 PolarHBondContact NE1-SG 2.82Å; W162-C180 VanDerWaalsContact NE1-SG 3.37Å; W162-L195 HydrophobicContact CZ3-CD2 4.27Å |
| 163 | S | 90.6 | Very high | 90.9 | Very high | 76 Ų | 76 | 53.5 Ų | 53.5 | 53% | 0.531 | 31% | 0.309 | S | S | . | . | G | 310 helix | trans | -65.1 | -18 | 172.7 | 69.7 | 0 | 0 | 0 | 0 | 113.4 | G160 N161 N165 | G160-S163 WeakPolarHBondContact O-CB 3.36Å; G160-S163 PolarHBondContact O-N 2.89Å; G160-S163 VanDerWaalsContact O-N 3.07Å; G160-S163 PolarHBondContact O-OG 3.39Å; N161-S163 PolarHBondContact O-N 2.84Å; S163-N165 VanDerWaalsContact C-N 3.34Å |
| 164 | E | 92.1 | Very high | 90.3 | Very high | 68 Ų | 68 | 59.1 Ų | 59.1 | 32% | 0.318 | 33% | 0.334 | S | S | . | . | G | 310 helix | trans | -83.9 | -11.6 | 177.1 | -60.2 | 171.3 | -145.8 | 0 | 0 | 112.7 | R127 V131 N161 W162 | R127-E164 IonicContact CZ-OE1 2.72Å; R127-E164 IonicContact CZ-OE2 2.6Å; R127-E164 IonicContact NE-OE1 2.71Å; R127-E164 IonicContact NE-OE2 2.83Å; R127-E164 PolarHBondContact NE-OE2 3.23Å; R127-E164 IonicContact NH2-OE1 3.62Å; R127-E164 PolarHBondContact NH2-OE1 3.5Å; R127-E164 IonicContact NH2-OE2 3.44Å; R127-E164 PolarHBondContact NH2-OE2 2.97Å; V131-E164 HydrophobicContact CG2-CB 3.98Å; N161-E164 WeakPolarHBondContact O-CB 3.23Å; N161-E164 PolarHBondContact O-N 2.94Å; W162-E164 PolarHBondContact O-N 3.35Å |
| 165 | N | 94.3 | Very high | 90 | Very high | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 34% | 0.341 | C | S | . | . | trans | -63.9 | 134.2 | 178.2 | 177.3 | -85.4 | 0 | 0 | 0 | 111.4 | I130 V131 Y133 W162 S163 L167 I168 K169 | I130-N165 PolarHBondContact O-ND2 2.96Å; V131-N165 PolarHBondContact O-ND2 2.94Å; Y133-N165 PolarHBondContact O-ND2 3.36Å; W162-N165 HydrophobicContact CE3-CB 4.41Å; W162-N165 VanDerWaalsContact O-CB 3.26Å; W162-N165 WeakPolarHBondContact O-CB 2.97Å; W162-N165 PolarHBondContact O-N 2.83Å; W162-N165 VanDerWaalsContact O-N 3.12Å; S163-N165 VanDerWaalsContact C-N 3.34Å; N165-L167 VanDerWaalsContact C-N 3.31Å; N165-L167 PolarHBondContact O-N 2.92Å; N165-L167 WeakPolarHBondContact OD1-CA 3.47Å; N165-L167 WeakPolarHBondContact OD1-CB 3.23Å; N165-L167 PolarHBondContact OD1-N 2.91Å; N165-I168 HydrophobicContact CB-CB 4.11Å; N165-I168 HydrophobicContact CB-CD1 3.97Å; N165-I168 HydrophobicContact CB-CG1 4Å; N165-I168 PolarHBondContact O-N 3.23Å; N165-I168 PolarHBondContact OD1-N 2.87Å; N165-K169 WeakPolarHBondContact O-CB 3.32Å; N165-K169 PolarHBondContact O-N 2.88Å | ||
| 166 | I | 91.4 | Very high | 89.6 | Confident | 73 Ų | 73 | 61.1 Ų | 61.1 | 37% | 0.374 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -63.1 | -33.7 | -175.1 | 61.2 | -179.6 | 0 | 0 | 0 | 113.7 | V131 N170 | V131-I166 HydrophobicContact CG1-CG2 4.15Å; V131-I166 PolarHBondContact O-N 3.35Å; V131-I166 VanDerWaalsContact O-N 3.17Å; I166-N170 WeakPolarHBondContact O-CB 3.49Å; I166-N170 PolarHBondContact O-N 3.27Å; I166-N170 PolarHBondContact O-ND2 2.91Å |
| 167 | L | 90.2 | Very high | 89.3 | Confident | 71 Ų | 71 | 60 Ų | 60 | 37% | 0.372 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -79.7 | -38.5 | -179.3 | -57.8 | -177.2 | 0 | 0 | 0 | 111.3 | T134 N165 G171 L195 | T134-L167 HydrophobicContact CG2-CD1 4.35Å; N165-L167 VanDerWaalsContact C-N 3.31Å; N165-L167 PolarHBondContact O-N 2.92Å; N165-L167 WeakPolarHBondContact OD1-CA 3.47Å; N165-L167 WeakPolarHBondContact OD1-CB 3.23Å; N165-L167 PolarHBondContact OD1-N 2.91Å; L167-G171 WeakPolarHBondContact O-CA 3.4Å; L167-G171 PolarHBondContact O-N 3.47Å; L167-L195 HydrophobicContact CB-CD1 3.99Å; L167-L195 HydrophobicContact CD1-CD1 3.84Å |
| 168 | I | 89.8 | Confident | 88.9 | Confident | 30 Ų | 30 | 55.9 Ų | 55.9 | 15% | 0.154 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -68.6 | -44.1 | 176.1 | -60.3 | -179.6 | 0 | 0 | 0 | 110.3 | W162 N165 L175 L195 | W162-I168 HydrophobicContact CB-CD1 4.02Å; W162-I168 HydrophobicContact CE3-CD1 3.95Å; W162-I168 WeakPolarHBondContact O-CD1 3.47Å; N165-I168 HydrophobicContact CB-CB 4.11Å; N165-I168 HydrophobicContact CB-CD1 3.97Å; N165-I168 HydrophobicContact CB-CG1 4Å; N165-I168 PolarHBondContact O-N 3.23Å; N165-I168 PolarHBondContact OD1-N 2.87Å; I168-L175 HydrophobicContact CG1-CB 3.91Å; I168-L195 HydrophobicContact CD1-CD2 4.01Å; I168-L195 HydrophobicContact CG1-CD2 4.28Å |
| 169 | K | 89.3 | Confident | 88.6 | Confident | 156 Ų | 156 | 55.4 Ų | 55.4 | 68% | 0.678 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -67.9 | -38.4 | -177 | -175.2 | 178.1 | 178.3 | -179.2 | 0 | 113.5 | N165 | N165-K169 WeakPolarHBondContact O-CB 3.32Å; N165-K169 PolarHBondContact O-N 2.88Å |
| 170 | N | 88.5 | Confident | 88.5 | Confident | 133 Ų | 133 | 53.9 Ų | 53.9 | 71% | 0.711 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -98.7 | -6.5 | -176.3 | -64.2 | -18.5 | 0 | 0 | 0 | 113.3 | I166 | I166-N170 WeakPolarHBondContact O-CB 3.49Å; I166-N170 PolarHBondContact O-N 3.27Å; I166-N170 PolarHBondContact O-ND2 2.91Å |
| 171 | G | 80.9 | Confident | 88.2 | Confident | 36 Ų | 36 | 53.5 Ų | 53.5 | 37% | 0.371 | 28% | 0.282 | S | S | . | . | trans | -77.1 | 151.5 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | L167 | L167-G171 WeakPolarHBondContact O-CA 3.4Å; L167-G171 PolarHBondContact O-N 3.47Å | ||
| 172 | T | 77.1 | Confident | 87.7 | Confident | 152 Ų | 152 | 55.8 Ų | 55.8 | 93% | 0.933 | 29% | 0.294 | S | S | * | . | S | Bend | trans | -82.6 | -17.8 | 171.4 | 51 | 0 | 0 | 0 | 0 | 112.5 | ||
| 173 | Q | 80.6 | Confident | 86.4 | Confident | 94 Ų | 94 | 60.8 Ų | 60.8 | 44% | 0.439 | 32% | 0.322 | S | S | . | . | S | Bend | trans | -93.9 | 146.3 | -179.7 | -66.7 | 173 | -40.6 | 0 | 0 | 111.2 | L175 E197 | Q173-L175 HydrophobicContact CB-CG 4.22Å; Q173-L175 PolarHBondContact O-N 2.86Å; Q173-E197 HydrophobicContact CB-CG 4.43Å; Q173-E197 VanDerWaalsContact CD-CD 3.43Å; Q173-E197 PolarHBondContact NE2-OE1 2.88Å; Q173-E197 PolarHBondContact NE2-OE2 3.28Å; Q173-E197 VanDerWaalsContact NE2-OE2 3.16Å; Q173-E197 PolarHBondContact OE1-OE1 3.48Å |
| 174 | K | 83.3 | Confident | 85.1 | Confident | 119 Ų | 119 | 62.5 Ų | 62.5 | 52% | 0.517 | 33% | 0.329 | S | S | . | . | trans | -78.3 | 92.5 | 173.5 | -65.2 | -172.6 | -178.6 | -178 | 0 | 109.8 | E197 H198 | K174-E197 WeakPolarHBondContact O-CA 3.36Å; K174-H198 PolarHBondContact O-CD2 3.2Å; K174-H198 PolarHBondContact O-N 3.02Å | ||
| 175 | L | 86.7 | Confident | 83.3 | Confident | 31 Ų | 31 | 63.6 Ų | 63.6 | 16% | 0.162 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 145.7 | -177.8 | -68.6 | 169.2 | 0 | 0 | 0 | 111.6 | I168 Q173 L195 C196 E197 | I168-L175 HydrophobicContact CG1-CB 3.91Å; Q173-L175 HydrophobicContact CB-CG 4.22Å; Q173-L175 PolarHBondContact O-N 2.86Å; L175-L195 HydrophobicContact CD1-CD1 4.49Å; L175-L195 HydrophobicContact CD2-CB 4.34Å; L175-C196 CarbonylContact C-O 3.55Å; L175-C196 WeakPolarHBondContact CA-O 3.48Å; L175-E197 HydrophobicContact CD2-CG 3.52Å |
| 176 | Y | 88.1 | Confident | 81.3 | Confident | 13 Ų | 13 | 69.8 Ų | 69.8 | 5% | 0.051 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 164.1 | 171.1 | 71.9 | -76.2 | 0 | 0 | 0 | 110 | C178 R181 L195 C196 H198 P203 V205 | Y176-C178 PolarHBondContact O-N 3.34Å; Y176-R181 HydrophobicContact CE2-CB 4.16Å; Y176-R181 HydrophobicContact CE2-CG 4.46Å; Y176-L195 CarbonylContact O-C 3.38Å; Y176-L195 WeakPolarHBondContact O-CA 3.27Å; Y176-C196 HydrophobicContact CD1-CB 4.11Å; Y176-C196 WeakPolarHBondContact CD1-O 3.23Å; Y176-C196 HydrophobicContact CE1-CB 3.57Å; Y176-C196 HydrophobicContact CE2-CB 4.23Å; Y176-C196 PolarHBondContact N-O 3.38Å; Y176-C196 PolarHBondContact O-N 3.48Å; Y176-H198 HydrophobicContact CD1-CB 4.02Å; Y176-H198 AromaticContact CD1-CD2 3.83Å; Y176-H198 HydrophobicContact CE1-CB 3.83Å; Y176-P203 HydrophobicContact CG-CB 4.49Å; Y176-V205 HydrophobicContact CD2-CG1 3.39Å; Y176-V205 HydrophobicContact CE2-CG1 3.97Å; Y176-V205 HydrophobicContact CG-CG1 4.14Å |
| 177 | S | 89.7 | Confident | 79.6 | Confident | 1 Ų | 1 | 68.2 Ų | 68.2 | 1% | 0.007 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 124.2 | 174.9 | -179.5 | 0 | 0 | 0 | 0 | 111 | W162 S179 C180 | W162-S177 WeakPolarHBondContact CZ2-OG 3.09Å; S177-S179 PolarHBondContact O-N 2.88Å; S177-S179 PolarHBondContact OG-OG 3.22Å; S177-C180 WeakPolarHBondContact O-CB 3.47Å; S177-C180 PolarHBondContact O-N 2.93Å |
| 178 | C | 87.6 | Confident | 77.9 | Confident | 6 Ų | 6 | 71.6 Ų | 71.6 | 4% | 0.041 | 40% | 0.401 | C | S | . | . | G | 310 helix | trans | -58.7 | -30.9 | 179.5 | -59.9 | 0 | 0 | 0 | 0 | 112.6 | Y176 C180 R181 K191 E192 G194 C196 | Y176-C178 PolarHBondContact O-N 3.34Å; C178-C180 PolarHBondContact O-N 3.25Å; C178-R181 VanDerWaalsContact O-CB 3.25Å; C178-R181 WeakPolarHBondContact O-CB 3.21Å; C178-R181 PolarHBondContact O-N 3.2Å; C178-K191 VanDerWaalsContact CB-O 3.24Å; C178-K191 WeakPolarHBondContact CB-O 3.41Å; C178-K191 PolarHBondContact SG-O 3.29Å; C178-E192 VanDerWaalsContact CB-O 3.31Å; C178-E192 WeakPolarHBondContact CB-O 3.24Å; C178-G194 WeakPolarHBondContact CB-O 3.33Å; C178-G194 PolarHBondContact N-O 3.16Å; C178-G194 PolarHBondContact SG-O 3.1Å; C178-C196 HydrophobicContact CB-CB 4.1Å; C178-C196 WeakPolarHBondContact CB-SG 3.24Å; C178-C196 VanDerWaalsContact SG-CA 3.56Å; C178-C196 WeakPolarHBondContact SG-CB 3.37Å; C178-C196 PolarHBondContact SG-N 3.13Å; C178-C196 CovalentContact SG-SG 2.03Å; C178-C196 PolarHBondContact SG-SG 3.12Å |
| 179 | S | 88.6 | Confident | 76.3 | Confident | 0 Ų | 0 | 77.6 Ų | 77.6 | 0% | 0 | 43% | 0.433 | C | S | . | . | G | 310 helix | trans | -72.4 | -14.1 | 178.9 | 58.1 | 0 | 0 | 0 | 0 | 113.9 | D145 Q148 R149 S177 R181 | D145-S179 VanDerWaalsContact OD1-CB 3.3Å; D145-S179 WeakPolarHBondContact OD1-CB 3.01Å; D145-S179 PolarHBondContact OD1-OG 2.92Å; Q148-S179 PolarHBondContact NE2-OG 3.34Å; R149-S179 WeakPolarHBondContact CG-O 3.4Å; S177-S179 PolarHBondContact O-N 2.88Å; S177-S179 PolarHBondContact OG-OG 3.22Å; S179-R181 VanDerWaalsContact C-N 3.33Å |
| 180 | C | 89.7 | Confident | 75 | Confident | 0 Ų | 0 | 75.6 Ų | 75.6 | 0% | 0 | 43% | 0.428 | C | S | . | . | G | 310 helix | trans | -82.9 | -8.1 | 172.2 | -71.5 | 0 | 0 | 0 | 0 | 113.9 | Q148 C154 W162 S177 C178 N182 V205 F206 | Q148-C180 PolarHBondContact OE1-SG 2.86Å; C154-C180 WeakPolarHBondContact CA-SG 3.44Å; C154-C180 HydrophobicContact CB-CB 3.6Å; C154-C180 WeakPolarHBondContact CB-SG 3.27Å; C154-C180 WeakPolarHBondContact SG-CB 3.37Å; C154-C180 CovalentContact SG-SG 2.04Å; C154-C180 PolarHBondContact SG-SG 2.85Å; W162-C180 PolarHBondContact NE1-SG 2.82Å; W162-C180 VanDerWaalsContact NE1-SG 3.37Å; S177-C180 WeakPolarHBondContact O-CB 3.47Å; S177-C180 PolarHBondContact O-N 2.93Å; C178-C180 PolarHBondContact O-N 3.25Å; C180-N182 PolarHBondContact O-N 2.84Å; C180-V205 HydrophobicContact CB-CB 3.88Å; C180-V205 HydrophobicContact CB-CG1 3.6Å; C180-V205 CarbonylContact O-C 3.57Å; C180-V205 WeakPolarHBondContact O-CA 3.28Å; C180-F206 WeakPolarHBondContact O-CD2 3.12Å; C180-F206 PolarHBondContact O-N 3.37Å |
| 181 | R | 86.6 | Confident | 74 | Confident | 42 Ų | 42 | 75.1 Ų | 75.1 | 16% | 0.158 | 42% | 0.42 | C | S | . | . | B | Isolated β-bridge | trans | -62.2 | 134.1 | -170.8 | -168.5 | 178.7 | -162.3 | 166.3 | 4 | 111.2 | Y176 C178 S179 P204 F206 | Y176-R181 HydrophobicContact CE2-CB 4.16Å; Y176-R181 HydrophobicContact CE2-CG 4.46Å; C178-R181 VanDerWaalsContact O-CB 3.25Å; C178-R181 WeakPolarHBondContact O-CB 3.21Å; C178-R181 PolarHBondContact O-N 3.2Å; S179-R181 VanDerWaalsContact C-N 3.33Å; R181-P204 WeakPolarHBondContact CA-O 3.46Å; R181-F206 WeakPolarHBondContact O-CE2 3.05Å; R181-F206 WeakPolarHBondContact O-CZ 3.24Å |
| 182 | N | 82.6 | Confident | 73.3 | Confident | 59 Ų | 59 | 77.9 Ų | 77.9 | 32% | 0.316 | 42% | 0.423 | S | S | . | . | trans | -86.7 | 117 | 170.2 | -170 | -15.4 | 0 | 0 | 0 | 109.5 | C180 T184 M185 P204 F206 | C180-N182 PolarHBondContact O-N 2.84Å; N182-T184 VanDerWaalsContact CG-OG1 3.3Å; N182-T184 PolarHBondContact O-N 3.45Å; N182-T184 PolarHBondContact OD1-OG1 2.8Å; N182-M185 PolarHBondContact O-N 3.4Å; N182-P204 PolarHBondContact N-O 2.98Å; N182-F206 HydrophobicContact CB-CD1 4.24Å; N182-F206 HydrophobicContact CB-CE1 4.03Å | ||
| 183 | D | 66.7 | Low | 73.1 | Confident | 117 Ų | 117 | 74 Ų | 74 | 63% | 0.626 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | -4.7 | -172.8 | -62.5 | -42.2 | 0 | 0 | 0 | 115.2 | M185 | D183-M185 VanDerWaalsContact C-N 3.28Å; D183-M185 PolarHBondContact O-N 3.47Å |
| 184 | T | 63.3 | Low | 73.2 | Confident | 112 Ų | 112 | 69.6 Ų | 69.6 | 69% | 0.687 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.3 | -4.4 | 177.8 | 40.3 | 0 | 0 | 0 | 0 | 114.1 | N182 | N182-T184 VanDerWaalsContact CG-OG1 3.3Å; N182-T184 PolarHBondContact O-N 3.45Å; N182-T184 PolarHBondContact OD1-OG1 2.8Å |
| 185 | M | 55.5 | Low | 73.5 | Confident | 91 Ų | 91 | 65.1 Ų | 65.1 | 45% | 0.448 | 35% | 0.354 | S | S | . | . | S | Bend | trans | -107.4 | 123 | -175.6 | -72.7 | -81.7 | -104.9 | 0 | 0 | 112.5 | N182 D183 P204 | N182-M185 PolarHBondContact O-N 3.4Å; D183-M185 VanDerWaalsContact C-N 3.28Å; D183-M185 PolarHBondContact O-N 3.47Å; M185-P204 HydrophobicContact CB-CB 3.96Å; M185-P204 HydrophobicContact CE-CB 3.74Å; M185-P204 HydrophobicContact CG-CB 3.71Å |
| 186 | P | 51.1 | Low | 73.4 | Confident | 129 Ų | 129 | 64.2 Ų | 64.2 | 84% | 0.838 | 35% | 0.35 | S | S | * | . | trans | -72.4 | 136.6 | -175.3 | 28 | -32.2 | 0 | 0 | 0 | 112.4 | ||||
| 187 | G | 55.5 | Low | 73.3 | Confident | 40 Ų | 40 | 69.2 Ų | 69.2 | 41% | 0.412 | 37% | 0.374 | S | S | . | . | trans | -176.7 | 127.2 | 169.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 188 | T | 55.4 | Low | 72.7 | Confident | 143 Ų | 143 | 70.5 Ų | 70.5 | 88% | 0.877 | 38% | 0.38 | S | S | * | . | S | Bend | trans | -66.4 | 141.6 | 176.1 | 14.8 | 0 | 0 | 0 | 0 | 111.4 | ||
| 189 | D | 55.9 | Low | 71.9 | Confident | 155 Ų | 155 | 78.9 Ų | 78.9 | 83% | 0.829 | 42% | 0.424 | S | S | * | . | S | Bend | trans | 67 | 81.4 | -171.8 | -61.8 | -23.3 | 0 | 0 | 0 | 115.2 | K191 | D189-K191 VanDerWaalsContact C-N 3.3Å; D189-K191 PolarHBondContact O-N 2.9Å |
| 190 | M | 61.3 | Low | 71 | Confident | 115 Ų | 115 | 81.7 Ų | 81.7 | 57% | 0.567 | 44% | 0.443 | S | S | * | . | trans | -79 | 74.4 | 179.7 | -123 | 173.3 | 104.7 | 0 | 0 | 110 | E192 | M190-E192 PolarHBondContact O-N 3.34Š| ||
| 191 | K | 68 | Low | 70 | Confident | 123 Ų | 123 | 90.4 Ų | 90.4 | 54% | 0.535 | 48% | 0.484 | S | S | . | . | trans | -62.7 | 112 | 164.5 | -161.6 | -175.9 | -179.7 | -178.4 | 0 | 107.2 | C178 D189 F193 C196 | C178-K191 VanDerWaalsContact CB-O 3.24Å; C178-K191 WeakPolarHBondContact CB-O 3.41Å; C178-K191 PolarHBondContact SG-O 3.29Å; D189-K191 VanDerWaalsContact C-N 3.3Å; D189-K191 PolarHBondContact O-N 2.9Å; K191-F193 WeakPolarHBondContact CD-O 3.37Å; K191-F193 VanDerWaalsContact CE-O 3.24Å; K191-F193 WeakPolarHBondContact CE-O 3.19Å; K191-F193 WeakPolarHBondContact CG-O 3.48Å; K191-C196 PolarHBondContact O-SG 3.11Å; K191-C196 VanDerWaalsContact O-SG 3.41Å | ||
| 192 | E | 66.6 | Low | 69.2 | Low | 94 Ų | 94 | 95.6 Ų | 95.6 | 44% | 0.439 | 51% | 0.51 | S | S | . | . | trans | -77.2 | -37.3 | -174.3 | -93.8 | -168 | -165.6 | 0 | 0 | 111.1 | R149 C178 M190 | R149-E192 VanDerWaalsContact CZ-O 3.29Å; R149-E192 IonicContact CZ-OE2 3.73Å; R149-E192 VanDerWaalsContact NH1-CD 3.28Å; R149-E192 IonicContact NH1-OE2 2.73Å; R149-E192 PolarHBondContact NH1-OE2 2.99Å; R149-E192 VanDerWaalsContact NH2-CB 3.33Å; R149-E192 PolarHBondContact NH2-O 2.95Å; R149-E192 IonicContact NH2-OE2 3.73Å; C178-E192 VanDerWaalsContact CB-O 3.31Å; C178-E192 WeakPolarHBondContact CB-O 3.24Å; M190-E192 PolarHBondContact O-N 3.34Å | ||
| 193 | F | 72.6 | Confident | 68.6 | Low | 70 Ų | 70 | 95.1 Ų | 95.1 | 31% | 0.307 | 51% | 0.51 | S | S | . | . | S | Bend | trans | -116.2 | 157 | -173.4 | -56.7 | -87.8 | 0 | 0 | 0 | 111.6 | H142 D145 R149 K191 | H142-F193 AromaticContact ND1-CD1 3.45Å; H142-F193 WeakPolarHBondContact ND1-CD1 3.43Å; H142-F193 AromaticContact ND1-CE1 3.89Å; H142-F193 AromaticContact ND1-CG 3.94Å; D145-F193 HydrophobicContact CB-CD1 3.88Å; D145-F193 HydrophobicContact CB-CE1 4.28Å; R149-F193 VanDerWaalsContact NH2-CG 3.32Å; K191-F193 WeakPolarHBondContact CD-O 3.37Å; K191-F193 VanDerWaalsContact CE-O 3.24Å; K191-F193 WeakPolarHBondContact CE-O 3.19Å; K191-F193 WeakPolarHBondContact CG-O 3.48Å |
| 194 | G | 83.4 | Confident | 69.3 | Low | 1 Ų | 1 | 90.4 Ų | 90.4 | 1% | 0.01 | 49% | 0.486 | C | S | . | . | S | Bend | trans | 87.7 | -154.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y133 C178 | Y133-G194 WeakPolarHBondContact OH-CA 3.33Å; Y133-G194 PolarHBondContact OH-N 2.88Å; C178-G194 WeakPolarHBondContact CB-O 3.33Å; C178-G194 PolarHBondContact N-O 3.16Å; C178-G194 PolarHBondContact SG-O 3.1Å |
| 195 | L | 87.9 | Confident | 70.5 | Confident | 25 Ų | 25 | 85.6 Ų | 85.6 | 13% | 0.131 | 46% | 0.457 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 137.1 | 177.9 | -62 | 174.1 | 0 | 0 | 0 | 110.7 | Y133 W162 L167 I168 L175 Y176 | Y133-L195 HydrophobicContact CD1-CD2 4.11Å; Y133-L195 HydrophobicContact CD1-CG 4.25Å; Y133-L195 HydrophobicContact CE1-CD2 4.16Å; Y133-L195 HydrophobicContact CE1-CG 4.18Å; W162-L195 HydrophobicContact CZ3-CD2 4.27Å; L167-L195 HydrophobicContact CB-CD1 3.99Å; L167-L195 HydrophobicContact CD1-CD1 3.84Å; I168-L195 HydrophobicContact CD1-CD2 4.01Å; I168-L195 HydrophobicContact CG1-CD2 4.28Å; L175-L195 HydrophobicContact CD1-CD1 4.49Å; L175-L195 HydrophobicContact CD2-CB 4.34Å; Y176-L195 CarbonylContact O-C 3.38Å; Y176-L195 WeakPolarHBondContact O-CA 3.27Å |
| 196 | C | 86.5 | Confident | 72.2 | Confident | 12 Ų | 12 | 82.4 Ų | 82.4 | 8% | 0.081 | 44% | 0.44 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 147.7 | -179.4 | -81.4 | 0 | 0 | 0 | 0 | 109.8 | L175 Y176 C178 K191 | L175-C196 CarbonylContact C-O 3.55Å; L175-C196 WeakPolarHBondContact CA-O 3.48Å; Y176-C196 HydrophobicContact CD1-CB 4.11Å; Y176-C196 WeakPolarHBondContact CD1-O 3.23Å; Y176-C196 HydrophobicContact CE1-CB 3.57Å; Y176-C196 HydrophobicContact CE2-CB 4.23Å; Y176-C196 PolarHBondContact N-O 3.38Å; Y176-C196 PolarHBondContact O-N 3.48Å; C178-C196 HydrophobicContact CB-CB 4.1Å; C178-C196 WeakPolarHBondContact CB-SG 3.24Å; C178-C196 VanDerWaalsContact SG-CA 3.56Å; C178-C196 WeakPolarHBondContact SG-CB 3.37Å; C178-C196 PolarHBondContact SG-N 3.13Å; C178-C196 CovalentContact SG-SG 2.03Å; C178-C196 PolarHBondContact SG-SG 3.12Å; K191-C196 PolarHBondContact O-SG 3.11Å; K191-C196 VanDerWaalsContact O-SG 3.41Å |
| 197 | E | 84 | Confident | 74.1 | Confident | 118 Ų | 118 | 83 Ų | 83 | 55% | 0.551 | 43% | 0.432 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 147 | 174.8 | -69.5 | 178.9 | -143.7 | 0 | 0 | 111.1 | Q173 K174 L175 | Q173-E197 HydrophobicContact CB-CG 4.43Å; Q173-E197 VanDerWaalsContact CD-CD 3.43Å; Q173-E197 PolarHBondContact NE2-OE1 2.88Å; Q173-E197 PolarHBondContact NE2-OE2 3.28Å; Q173-E197 VanDerWaalsContact NE2-OE2 3.16Å; Q173-E197 PolarHBondContact OE1-OE1 3.48Å; K174-E197 WeakPolarHBondContact O-CA 3.36Å; L175-E197 HydrophobicContact CD2-CG 3.52Å |
| 198 | H | 77.1 | Confident | 75.9 | Confident | 29 Ų | 29 | 85.3 Ų | 85.3 | 13% | 0.134 | 43% | 0.433 | C | S | . | . | trans | -128.7 | 142 | 169.4 | 76.2 | 90.8 | 0 | 0 | 0 | 112.1 | K174 Y176 S200 | K174-H198 PolarHBondContact O-CD2 3.2Å; K174-H198 PolarHBondContact O-N 3.02Å; Y176-H198 HydrophobicContact CD1-CB 4.02Å; Y176-H198 AromaticContact CD1-CD2 3.83Å; Y176-H198 HydrophobicContact CE1-CB 3.83Å; H198-S200 PolarHBondContact CE1-O 2.89Å; H198-S200 PolarHBondContact ND1-O 2.03Å | ||
| 199 | L | 71.4 | Confident | 77.9 | Confident | 181 Ų | 181 | 78.6 Ų | 78.6 | 95% | 0.948 | 39% | 0.392 | S | S | * | . | trans | -95.8 | -17.6 | 177.3 | -67.9 | 127.5 | 0 | 0 | 0 | 112.6 | ||||
| 200 | S | 69.3 | Low | 79.8 | Confident | 59 Ų | 59 | 71.3 Ų | 71.3 | 41% | 0.413 | 35% | 0.353 | S | S | . | . | S | Bend | trans | -69.9 | 157.7 | -178.1 | -54.8 | 0 | 0 | 0 | 0 | 112.5 | H198 Q202 | H198-S200 PolarHBondContact CE1-O 2.89Å; H198-S200 PolarHBondContact ND1-O 2.03Å; S200-Q202 VanDerWaalsContact CB-O 3.25Å; S200-Q202 WeakPolarHBondContact CB-O 3.29Å; S200-Q202 PolarHBondContact O-N 3.4Å |
| 201 | E | 69 | Low | 81.4 | Confident | 184 Ų | 184 | 67.2 Ų | 67.2 | 86% | 0.86 | 33% | 0.333 | S | S | * | . | S | Bend | trans | -62.7 | -33.9 | 175.4 | -161.6 | 170.7 | -169.7 | 0 | 0 | 111.8 | ||
| 202 | Q | 69.6 | Low | 82.8 | Confident | 151 Ų | 151 | 64.6 Ų | 64.6 | 71% | 0.706 | 33% | 0.328 | S | S | * | . | S | Bend | trans | -120.5 | 141.4 | 173.3 | -66.6 | 179.8 | -10.5 | 0 | 0 | 111.4 | S200 | S200-Q202 VanDerWaalsContact CB-O 3.25Å; S200-Q202 WeakPolarHBondContact CB-O 3.29Å; S200-Q202 PolarHBondContact O-N 3.4Å |
| 203 | P | 70.7 | Confident | 84.1 | Confident | 49 Ų | 49 | 60.7 Ų | 60.7 | 32% | 0.318 | 31% | 0.311 | S | S | . | . | trans | -69.6 | 138.9 | 178.4 | 27.7 | -32.7 | 0 | 0 | 0 | 111.1 | Y176 V205 | Y176-P203 HydrophobicContact CG-CB 4.49Å; P203-V205 HydrophobicContact CB-CG1 4.13Å; P203-V205 HydrophobicContact CB-CG2 4.24Å; P203-V205 HydrophobicContact CG-CG2 4.04Å; P203-V205 PolarHBondContact O-N 3.35Å | ||
| 204 | P | 81.3 | Confident | 85.2 | Confident | 17 Ų | 17 | 59.7 Ų | 59.7 | 11% | 0.11 | 31% | 0.31 | C | S | . | . | trans | -79.3 | 63.1 | -179.8 | 33.9 | -36.6 | 0 | 0 | 0 | 111.7 | R181 N182 M185 | R181-P204 WeakPolarHBondContact CA-O 3.46Å; N182-P204 PolarHBondContact N-O 2.98Å; M185-P204 HydrophobicContact CB-CB 3.96Å; M185-P204 HydrophobicContact CE-CB 3.74Å; M185-P204 HydrophobicContact CG-CB 3.71Å | ||
| 205 | V | 88.9 | Confident | 85.7 | Confident | 12 Ų | 12 | 62.7 Ų | 62.7 | 7% | 0.073 | 32% | 0.324 | C | S | . | . | B | Isolated β-bridge | trans | -111.9 | 162.6 | -173 | -66.2 | 0 | 0 | 0 | 0 | 113 | P159 Y176 C180 P203 E207 | P159-V205 HydrophobicContact CB-CG2 3.75Å; P159-V205 HydrophobicContact CG-CG2 4.35Å; Y176-V205 HydrophobicContact CD2-CG1 3.39Å; Y176-V205 HydrophobicContact CE2-CG1 3.97Å; Y176-V205 HydrophobicContact CG-CG1 4.14Å; C180-V205 HydrophobicContact CB-CB 3.88Å; C180-V205 HydrophobicContact CB-CG1 3.6Å; C180-V205 CarbonylContact O-C 3.57Å; C180-V205 WeakPolarHBondContact O-CA 3.28Å; P203-V205 HydrophobicContact CB-CG1 4.13Å; P203-V205 HydrophobicContact CB-CG2 4.24Å; P203-V205 HydrophobicContact CG-CG2 4.04Å; P203-V205 PolarHBondContact O-N 3.35Å; V205-E207 PolarHBondContact O-N 2.74Å |
| 206 | F | 90.7 | Very high | 86 | Confident | 24 Ų | 24 | 67 Ų | 67 | 11% | 0.105 | 34% | 0.342 | C | S | . | . | trans | -64.6 | 129 | 166.6 | -59.6 | -63 | 0 | 0 | 0 | 110.6 | K152 C154 C180 R181 N182 | K152-F206 VanDerWaalsContact C-CG 3.47Å; K152-F206 HydrophobicContact CB-CD1 4.16Å; K152-F206 HydrophobicContact CB-CE1 3.86Å; K152-F206 HydrophobicContact CB-CE2 4.27Å; K152-F206 HydrophobicContact CB-CG 4.5Å; K152-F206 HydrophobicContact CB-CZ 3.93Å; K152-F206 HydrophobicContact CG-CE1 4.31Å; K152-F206 HydrophobicContact CG-CZ 4.08Å; K152-F206 WeakPolarHBondContact O-CG 3.3Å; C154-F206 HydrophobicContact CB-CB 4.29Å; C154-F206 WeakPolarHBondContact CB-O 3.29Å; C180-F206 WeakPolarHBondContact O-CD2 3.12Å; C180-F206 PolarHBondContact O-N 3.37Å; R181-F206 WeakPolarHBondContact O-CE2 3.05Å; R181-F206 WeakPolarHBondContact O-CZ 3.24Å; N182-F206 HydrophobicContact CB-CD1 4.24Å; N182-F206 HydrophobicContact CB-CE1 4.03Å | ||
| 207 | E | 90.9 | Very high | 86.4 | Confident | 142 Ų | 142 | 72.4 Ų | 72.4 | 66% | 0.664 | 36% | 0.361 | S | S | * | . | trans | -78.7 | -23.1 | 179.6 | -67.2 | -60.4 | 150.2 | 0 | 0 | 113.1 | P159 V205 | P159-E207 WeakPolarHBondContact CD-O 3.19Å; V205-E207 PolarHBondContact O-N 2.74Å | ||
| 208 | M | 94.1 | Very high | 86.8 | Confident | 87 Ų | 87 | 70.7 Ų | 70.7 | 43% | 0.429 | 36% | 0.355 | S | S | . | . | S | Bend | trans | -80.1 | 131.7 | -177.2 | -166.6 | 168.9 | -72.7 | 0 | 0 | 111.2 | C153 C154 T212 S213 | C153-M208 CarbonylContact C-O 3.56Å; C153-M208 VanDerWaalsContact CA-O 3.23Å; C153-M208 WeakPolarHBondContact CA-O 3.37Å; C153-M208 VanDerWaalsContact CB-O 3.27Å; C153-M208 WeakPolarHBondContact CB-O 3.42Å; C154-M208 PolarHBondContact N-O 3.18Å; M208-T212 HydrophobicContact CG-CG2 4.44Å; M208-T212 HydrophobicContact SD-CG2 4.4Å; M208-S213 WeakPolarHBondContact CG-OG 3.33Å; M208-S213 PolarHBondContact SD-OG 3.21Å; M208-S213 VanDerWaalsContact SD-OG 3.4Å |
| 209 | G | 95.9 | Very high | 87.6 | Confident | 3 Ų | 3 | 75.6 Ų | 75.6 | 3% | 0.031 | 38% | 0.381 | C | S | . | . | trans | -69.5 | 146.3 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | W156 T157 I211 T212 S213 | W156-G209 CarbonylContact O-C 3.53Å; T157-G209 VanDerWaalsContact C-CA 3.47Å; T157-G209 WeakPolarHBondContact O-CA 3.48Å; G209-I211 VanDerWaalsContact C-N 3.34Å; G209-I211 PolarHBondContact O-N 2.64Å; G209-T212 PolarHBondContact O-N 2.88Å; G209-S213 PolarHBondContact O-N 3.19Å; G209-S213 VanDerWaalsContact O-N 3.13Å | ||
| 210 | C | 96.3 | Very high | 88.7 | Confident | 1 Ų | 1 | 72.6 Ų | 72.6 | 1% | 0.007 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -65.5 | -30.6 | -176 | -67.5 | 0 | 0 | 0 | 0 | 114.6 | W144 C153 G155 W156 T212 S213 V214 | W144-C210 HydrophobicContact CH2-CB 3.84Å; C153-C210 HydrophobicContact CB-CB 3.89Å; C153-C210 WeakPolarHBondContact CB-SG 3.26Å; C153-C210 WeakPolarHBondContact SG-CA 3.49Å; C153-C210 WeakPolarHBondContact SG-CB 3.34Å; C153-C210 CovalentContact SG-SG 2.03Å; C153-C210 PolarHBondContact SG-SG 3.07Å; G155-C210 VanDerWaalsContact O-CB 3.24Å; G155-C210 WeakPolarHBondContact O-CB 3.4Å; G155-C210 PolarHBondContact O-N 3.21Å; G155-C210 PolarHBondContact O-SG 3.3Å; W156-C210 PolarHBondContact O-N 3.3Å; C210-T212 VanDerWaalsContact C-N 3.31Å; C210-T212 PolarHBondContact O-N 3.47Å; C210-S213 PolarHBondContact O-N 3.38Å; C210-V214 WeakPolarHBondContact O-CB 3.27Å; C210-V214 WeakPolarHBondContact O-CG2 3.25Å; C210-V214 PolarHBondContact O-N 3.32Å |
| 211 | I | 95.8 | Very high | 89.9 | Confident | 29 Ų | 29 | 71.9 Ų | 71.9 | 15% | 0.149 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -59.5 | -45.6 | 174.3 | -176.5 | 52.3 | 0 | 0 | 0 | 111.1 | K119 W156 T157 G209 V214 E215 | K119-I211 HydrophobicContact CG-CD1 4.29Å; W156-I211 HydrophobicContact CD2-CB 4.15Å; W156-I211 HydrophobicContact CE3-CB 4.3Å; W156-I211 HydrophobicContact CH2-CB 4.05Å; W156-I211 HydrophobicContact CH2-CD1 3.68Å; W156-I211 HydrophobicContact CH2-CG1 4.18Å; W156-I211 HydrophobicContact CZ2-CB 3.83Å; W156-I211 HydrophobicContact CZ2-CD1 3.73Å; W156-I211 HydrophobicContact CZ2-CG1 3.85Å; W156-I211 HydrophobicContact CZ3-CB 4.24Å; W156-I211 HydrophobicContact CZ3-CD1 4.48Å; W156-I211 VanDerWaalsContact O-CG2 3.32Å; W156-I211 WeakPolarHBondContact O-CG2 3.44Å; W156-I211 PolarHBondContact O-N 3.02Å; T157-I211 HydrophobicContact CG2-CG2 4.46Å; G209-I211 VanDerWaalsContact C-N 3.34Å; G209-I211 PolarHBondContact O-N 2.64Å; I211-V214 PolarHBondContact O-N 3.49Å; I211-E215 HydrophobicContact CD1-CG 4.18Å; I211-E215 WeakPolarHBondContact O-CB 3.05Å; I211-E215 VanDerWaalsContact O-CG 3.31Å; I211-E215 WeakPolarHBondContact O-CG 3.33Å; I211-E215 PolarHBondContact O-N 3.39Å |
| 212 | T | 96 | Very high | 91.1 | Very high | 68 Ų | 68 | 65.7 Ų | 65.7 | 42% | 0.417 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -66.7 | -42.5 | 179.7 | -48.5 | 0 | 0 | 0 | 0 | 111.3 | M208 G209 C210 E215 K216 | M208-T212 HydrophobicContact CG-CG2 4.44Å; M208-T212 HydrophobicContact SD-CG2 4.4Å; G209-T212 PolarHBondContact O-N 2.88Å; C210-T212 VanDerWaalsContact C-N 3.31Å; C210-T212 PolarHBondContact O-N 3.47Å; T212-E215 PolarHBondContact O-N 3.5Å; T212-K216 VanDerWaalsContact O-CB 3.31Å; T212-K216 WeakPolarHBondContact O-CB 2.94Å; T212-K216 PolarHBondContact O-N 3.14Å |
| 213 | S | 95.5 | Very high | 92.2 | Very high | 12 Ų | 12 | 61.3 Ų | 61.3 | 8% | 0.084 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -63.9 | -41 | 176.5 | -68 | 0 | 0 | 0 | 0 | 112.5 | M151 M208 G209 C210 K216 W217 | M151-S213 WeakPolarHBondContact CE-O 3.08Å; M151-S213 PolarHBondContact O-OG 2.96Å; M208-S213 WeakPolarHBondContact CG-OG 3.33Å; M208-S213 PolarHBondContact SD-OG 3.21Å; M208-S213 VanDerWaalsContact SD-OG 3.4Å; G209-S213 PolarHBondContact O-N 3.19Å; G209-S213 VanDerWaalsContact O-N 3.13Å; C210-S213 PolarHBondContact O-N 3.38Å; S213-K216 PolarHBondContact O-N 3.31Å; S213-W217 WeakPolarHBondContact O-CB 3.16Å; S213-W217 PolarHBondContact O-N 3.33Å |
| 214 | V | 94.1 | Very high | 93.4 | Very high | 49 Ų | 49 | 64.1 Ų | 64.1 | 30% | 0.297 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -66.2 | -45.5 | 176.8 | 170.7 | 0 | 0 | 0 | 0 | 111 | M151 C210 I211 K216 W217 L218 | M151-V214 HydrophobicContact CE-CB 4.32Å; M151-V214 HydrophobicContact CE-CG2 3.86Å; M151-V214 HydrophobicContact CG-CG2 4.15Å; C210-V214 WeakPolarHBondContact O-CB 3.27Å; C210-V214 WeakPolarHBondContact O-CG2 3.25Å; C210-V214 PolarHBondContact O-N 3.32Å; I211-V214 PolarHBondContact O-N 3.49Å; V214-K216 VanDerWaalsContact C-N 3.33Å; V214-K216 PolarHBondContact O-N 3.07Å; V214-W217 PolarHBondContact O-N 2.96Å; V214-L218 HydrophobicContact CG1-CD1 4.09Å; V214-L218 HydrophobicContact CG1-CG 4.43Å; V214-L218 WeakPolarHBondContact O-CB 3.22Å; V214-L218 VanDerWaalsContact O-CG 3.31Å; V214-L218 WeakPolarHBondContact O-CG 3.31Å; V214-L218 PolarHBondContact O-N 3.28Å |
| 215 | E | 93.9 | Very high | 93.9 | Very high | 64 Ų | 64 | 66.2 Ų | 66.2 | 30% | 0.299 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -59.7 | -44.8 | 175.3 | -75.4 | 179.1 | 167 | 0 | 0 | 111.9 | K119 I211 T212 L218 L219 | K119-E215 WeakPolarHBondContact CE-OE1 3.47Å; K119-E215 IonicContact NZ-OE1 3.97Å; K119-E215 PolarHBondContact NZ-OE1 3.34Å; I211-E215 HydrophobicContact CD1-CG 4.18Å; I211-E215 WeakPolarHBondContact O-CB 3.05Å; I211-E215 VanDerWaalsContact O-CG 3.31Å; I211-E215 WeakPolarHBondContact O-CG 3.33Å; I211-E215 PolarHBondContact O-N 3.39Å; T212-E215 PolarHBondContact O-N 3.5Å; E215-L218 PolarHBondContact O-N 2.82Å; E215-L219 WeakPolarHBondContact O-CG 3.32Å; E215-L219 PolarHBondContact O-N 2.81Å |
| 216 | K | 95.4 | Very high | 94.1 | Very high | 117 Ų | 117 | 70.2 Ų | 70.2 | 51% | 0.509 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -60.9 | -46.8 | 176.7 | -175.5 | 176.9 | 179.2 | -179.4 | 0 | 111.4 | T212 S213 V214 L218 L219 D220 | T212-K216 VanDerWaalsContact O-CB 3.31Å; T212-K216 WeakPolarHBondContact O-CB 2.94Å; T212-K216 PolarHBondContact O-N 3.14Å; S213-K216 PolarHBondContact O-N 3.31Å; V214-K216 VanDerWaalsContact C-N 3.33Å; V214-K216 PolarHBondContact O-N 3.07Å; K216-L218 VanDerWaalsContact C-N 3.32Å; K216-L218 PolarHBondContact O-N 2.83Å; K216-L219 PolarHBondContact O-N 3.49Å; K216-D220 WeakPolarHBondContact O-CB 3.01Å; K216-D220 VanDerWaalsContact O-CG 3.24Å; K216-D220 PolarHBondContact O-N 2.96Å |
| 217 | W | 94.3 | Very high | 94.4 | Very high | 124 Ų | 124 | 71 Ų | 71 | 47% | 0.47 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -61.1 | -40.7 | 176.9 | -178.1 | 90.6 | 0 | 0 | 0 | 112.3 | M151 S213 V214 L219 D220 N221 I225 | M151-W217 HydrophobicContact CE-CB 3.39Å; M151-W217 HydrophobicContact CE-CD2 4.47Å; M151-W217 HydrophobicContact CE-CG 3.76Å; S213-W217 WeakPolarHBondContact O-CB 3.16Å; S213-W217 PolarHBondContact O-N 3.33Å; V214-W217 PolarHBondContact O-N 2.96Å; W217-L219 VanDerWaalsContact C-N 3.34Å; W217-L219 PolarHBondContact O-N 3.49Å; W217-D220 PolarHBondContact O-N 2.96Å; W217-N221 PolarHBondContact NE1-ND2 3.46Å; W217-N221 WeakPolarHBondContact O-CB 3.41Å; W217-N221 PolarHBondContact O-N 3.18Å; W217-N221 PolarHBondContact O-ND2 2.87Å; W217-I225 HydrophobicContact CZ3-CD1 4.09Å |
| 218 | L | 92.6 | Very high | 94.6 | Very high | 82 Ų | 82 | 69.6 Ų | 69.6 | 43% | 0.429 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -62.5 | -40.8 | 175.8 | -74.9 | 171.6 | 0 | 0 | 0 | 111.8 | V214 E215 K216 N221 C222 I225 | V214-L218 HydrophobicContact CG1-CD1 4.09Å; V214-L218 HydrophobicContact CG1-CG 4.43Å; V214-L218 WeakPolarHBondContact O-CB 3.22Å; V214-L218 VanDerWaalsContact O-CG 3.31Å; V214-L218 WeakPolarHBondContact O-CG 3.31Å; V214-L218 PolarHBondContact O-N 3.28Å; E215-L218 PolarHBondContact O-N 2.82Å; K216-L218 VanDerWaalsContact C-N 3.32Å; K216-L218 PolarHBondContact O-N 2.83Å; L218-N221 CarbonylContact O-C 3.54Å; L218-C222 VanDerWaalsContact O-CA 3.23Å; L218-C222 WeakPolarHBondContact O-CA 3.49Å; L218-C222 VanDerWaalsContact O-CB 3.29Å; L218-C222 WeakPolarHBondContact O-CB 3.26Å; L218-C222 PolarHBondContact O-N 2.9Å; L218-I225 HydrophobicContact CD2-CD1 3.78Å |
| 219 | L | 93.7 | Very high | 94.5 | Very high | 132 Ų | 132 | 68.9 Ų | 68.9 | 69% | 0.691 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -68.3 | -46.7 | 176.9 | -70.5 | 171.5 | 0 | 0 | 0 | 111.6 | E215 K216 W217 N221 C222 | E215-L219 WeakPolarHBondContact O-CG 3.32Å; E215-L219 PolarHBondContact O-N 2.81Å; K216-L219 PolarHBondContact O-N 3.49Å; W217-L219 VanDerWaalsContact C-N 3.34Å; W217-L219 PolarHBondContact O-N 3.49Å; L219-N221 PolarHBondContact O-N 2.74Å; L219-C222 VanDerWaalsContact O-CB 3.26Å; L219-C222 WeakPolarHBondContact O-CB 3.43Å; L219-C222 PolarHBondContact O-N 3.39Å |
| 220 | D | 95.3 | Very high | 94.4 | Very high | 118 Ų | 118 | 74 Ų | 74 | 63% | 0.631 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -63.1 | -32.6 | 180 | -69.7 | -15.6 | 0 | 0 | 0 | 111.5 | K216 W217 | K216-D220 WeakPolarHBondContact O-CB 3.01Å; K216-D220 VanDerWaalsContact O-CG 3.24Å; K216-D220 PolarHBondContact O-N 2.96Å; W217-D220 PolarHBondContact O-N 2.96Å |
| 221 | N | 94.7 | Very high | 94.4 | Very high | 45 Ų | 45 | 75.5 Ų | 75.5 | 24% | 0.241 | 43% | 0.426 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.9 | 9.6 | 179.6 | -63.5 | -84.7 | 0 | 0 | 0 | 113.7 | W217 L218 L219 G223 I224 I225 | W217-N221 PolarHBondContact NE1-ND2 3.46Å; W217-N221 WeakPolarHBondContact O-CB 3.41Å; W217-N221 PolarHBondContact O-N 3.18Å; W217-N221 PolarHBondContact O-ND2 2.87Å; L218-N221 CarbonylContact O-C 3.54Å; L219-N221 PolarHBondContact O-N 2.74Å; N221-G223 PolarHBondContact O-N 3.02Å; N221-I224 PolarHBondContact O-N 3.34Å; N221-I225 HydrophobicContact CB-CD1 4.39Å; N221-I225 WeakPolarHBondContact O-CG1 3.37Å; N221-I225 PolarHBondContact O-N 3.09Å; N221-I225 VanDerWaalsContact O-N 3.08Å |
| 222 | C | 93 | Very high | 94.3 | Very high | 53 Ų | 53 | 77 Ų | 77 | 36% | 0.358 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -56.2 | -40.3 | -173.9 | -177.9 | 0 | 0 | 0 | 0 | 112 | L218 L219 I224 I225 L226 | L218-C222 VanDerWaalsContact O-CA 3.23Å; L218-C222 WeakPolarHBondContact O-CA 3.49Å; L218-C222 VanDerWaalsContact O-CB 3.29Å; L218-C222 WeakPolarHBondContact O-CB 3.26Å; L218-C222 PolarHBondContact O-N 2.9Å; L219-C222 VanDerWaalsContact O-CB 3.26Å; L219-C222 WeakPolarHBondContact O-CB 3.43Å; L219-C222 PolarHBondContact O-N 3.39Å; C222-I224 PolarHBondContact O-N 3.35Å; C222-I225 PolarHBondContact O-N 3.08Å; C222-L226 WeakPolarHBondContact O-CB 3.36Å; C222-L226 WeakPolarHBondContact O-CG 3.3Å; C222-L226 PolarHBondContact O-N 2.04Å |
| 223 | G | 94 | Very high | 94.3 | Very high | 59 Ų | 59 | 74.9 Ų | 74.9 | 61% | 0.608 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -61.6 | -40.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | N221 G227 | N221-G223 PolarHBondContact O-N 3.02Å; G223-G227 PolarHBondContact O-N 3.37Å |
| 224 | I | 95.4 | Very high | 94.3 | Very high | 109 Ų | 109 | 77.7 Ų | 77.7 | 56% | 0.559 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -68.3 | -46.2 | 178.2 | -61.4 | 174.1 | 0 | 0 | 0 | 109.8 | N221 C222 G227 I228 | N221-I224 PolarHBondContact O-N 3.34Å; C222-I224 PolarHBondContact O-N 3.35Å; I224-G227 PolarHBondContact O-N 3.07Å; I224-I228 HydrophobicContact CG2-CD1 4.11Å; I224-I228 WeakPolarHBondContact O-CG1 3.42Å; I224-I228 PolarHBondContact O-N 3.12Å |
| 225 | I | 92.4 | Very high | 94.3 | Very high | 61 Ų | 61 | 77.7 Ų | 77.7 | 31% | 0.313 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -61.1 | -49.9 | -179.5 | -63.5 | 167.2 | 0 | 0 | 0 | 110.3 | W217 L218 N221 C222 G227 I228 C229 | W217-I225 HydrophobicContact CZ3-CD1 4.09Å; L218-I225 HydrophobicContact CD2-CD1 3.78Å; N221-I225 HydrophobicContact CB-CD1 4.39Å; N221-I225 WeakPolarHBondContact O-CG1 3.37Å; N221-I225 PolarHBondContact O-N 3.09Å; N221-I225 VanDerWaalsContact O-N 3.08Å; C222-I225 PolarHBondContact O-N 3.08Å; I225-G227 VanDerWaalsContact C-N 3.28Å; I225-G227 PolarHBondContact O-N 2.89Å; I225-I228 PolarHBondContact O-N 2.88Å; I225-C229 PolarHBondContact O-N 2.94Å; I225-C229 PolarHBondContact O-SG 3.03Å; I225-C229 VanDerWaalsContact O-SG 3.38Å |
| 226 | L | 93 | Very high | 94.4 | Very high | 96 Ų | 96 | 75.4 Ų | 75.4 | 50% | 0.503 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -60.5 | -39.6 | 175.9 | -73.1 | 174.3 | 0 | 0 | 0 | 111.7 | C222 C229 I230 | C222-L226 WeakPolarHBondContact O-CB 3.36Å; C222-L226 WeakPolarHBondContact O-CG 3.3Å; C222-L226 PolarHBondContact O-N 2.04Å; L226-C229 PolarHBondContact O-N 2.63Å; L226-I230 WeakPolarHBondContact O-CB 3.41Å; L226-I230 VanDerWaalsContact O-CG1 3.26Å; L226-I230 WeakPolarHBondContact O-CG1 3.36Å; L226-I230 PolarHBondContact O-N 2.8Å |
| 227 | G | 95.6 | Very high | 94.4 | Very high | 41 Ų | 41 | 73.7 Ų | 73.7 | 42% | 0.423 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -59.4 | -45.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | G223 I224 I225 G231 | G223-G227 PolarHBondContact O-N 3.37Å; I224-G227 PolarHBondContact O-N 3.07Å; I225-G227 VanDerWaalsContact C-N 3.28Å; I225-G227 PolarHBondContact O-N 2.89Å; G227-G231 PolarHBondContact O-N 3.31Å |
| 228 | I | 94.8 | Very high | 94.3 | Very high | 112 Ų | 112 | 72 Ų | 72 | 57% | 0.574 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -62.8 | -48.1 | 176 | -66.4 | 167.6 | 0 | 0 | 0 | 110.3 | I224 I225 I230 G231 V232 | I224-I228 HydrophobicContact CG2-CD1 4.11Å; I224-I228 WeakPolarHBondContact O-CG1 3.42Å; I224-I228 PolarHBondContact O-N 3.12Å; I225-I228 PolarHBondContact O-N 2.88Å; I228-I230 PolarHBondContact O-N 3.33Å; I228-G231 PolarHBondContact O-N 3.03Å; I228-V232 WeakPolarHBondContact O-CG2 3.42Å; I228-V232 PolarHBondContact O-N 2.77Å |
| 229 | C | 92.4 | Very high | 94.3 | Very high | 72 Ų | 72 | 68.1 Ų | 68.1 | 49% | 0.486 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -59.8 | -45.5 | 179.5 | -68 | 0 | 0 | 0 | 0 | 112.4 | I225 L226 G231 V232 A233 | I225-C229 PolarHBondContact O-N 2.94Å; I225-C229 PolarHBondContact O-SG 3.03Å; I225-C229 VanDerWaalsContact O-SG 3.38Å; L226-C229 PolarHBondContact O-N 2.63Å; C229-G231 VanDerWaalsContact C-N 3.35Å; C229-V232 PolarHBondContact O-N 2.86Å; C229-A233 PolarHBondContact O-N 3.15Å; C229-A233 VanDerWaalsContact O-N 3.09Å |
| 230 | I | 95 | Very high | 94.4 | Very high | 109 Ų | 109 | 62.3 Ų | 62.3 | 56% | 0.559 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -64.7 | -41.7 | 176.6 | -68.4 | 166.6 | 0 | 0 | 0 | 110.2 | L226 I228 V232 A233 V234 | L226-I230 WeakPolarHBondContact O-CB 3.41Å; L226-I230 VanDerWaalsContact O-CG1 3.26Å; L226-I230 WeakPolarHBondContact O-CG1 3.36Å; L226-I230 PolarHBondContact O-N 2.8Å; I228-I230 PolarHBondContact O-N 3.33Å; I230-V232 PolarHBondContact O-N 3.17Å; I230-A233 PolarHBondContact O-N 2.87Å; I230-V234 HydrophobicContact CG2-CG2 4.15Å; I230-V234 WeakPolarHBondContact O-CB 3.18Å; I230-V234 VanDerWaalsContact O-CG2 3.24Å; I230-V234 WeakPolarHBondContact O-CG2 3.44Å; I230-V234 PolarHBondContact O-N 3.35Å |
| 231 | G | 95.8 | Very high | 94.3 | Very high | 34 Ų | 34 | 60.9 Ų | 60.9 | 35% | 0.351 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -58.7 | -44.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | G227 I228 C229 V234 V235 | G227-G231 PolarHBondContact O-N 3.31Å; I228-G231 PolarHBondContact O-N 3.03Å; C229-G231 VanDerWaalsContact C-N 3.35Å; G231-V234 PolarHBondContact O-N 2.7Å; G231-V235 WeakPolarHBondContact O-CB 3.43Å; G231-V235 WeakPolarHBondContact O-CG2 3.33Å; G231-V235 PolarHBondContact O-N 2.87Å |
| 232 | V | 94.1 | Very high | 94.1 | Very high | 59 Ų | 59 | 60.3 Ų | 60.3 | 36% | 0.358 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -60.6 | -49.5 | 174.8 | 173.4 | 0 | 0 | 0 | 0 | 110.7 | I228 C229 I230 V234 V235 E236 | I228-V232 WeakPolarHBondContact O-CG2 3.42Å; I228-V232 PolarHBondContact O-N 2.77Å; C229-V232 PolarHBondContact O-N 2.86Å; I230-V232 PolarHBondContact O-N 3.17Å; V232-V234 VanDerWaalsContact C-N 3.32Å; V232-V234 PolarHBondContact O-N 2.99Å; V232-V235 WeakPolarHBondContact O-CB 3.25Å; V232-V235 PolarHBondContact O-N 2.82Å; V232-V235 VanDerWaalsContact O-N 3.16Å; V232-E236 WeakPolarHBondContact O-CG 3.37Å; V232-E236 PolarHBondContact O-N 3.49Å |
| 233 | A | 95.4 | Very high | 94.1 | Very high | 25 Ų | 25 | 57.9 Ų | 57.9 | 21% | 0.207 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -60.2 | -40.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | L101 C229 I230 E236 L237 | L101-A233 HydrophobicContact CD1-CB 3.97Å; C229-A233 PolarHBondContact O-N 3.15Å; C229-A233 VanDerWaalsContact O-N 3.09Å; I230-A233 PolarHBondContact O-N 2.87Å; A233-E236 PolarHBondContact O-N 3.26Å; A233-L237 WeakPolarHBondContact O-CB 3.39Å; A233-L237 VanDerWaalsContact O-CG 3.24Å; A233-L237 WeakPolarHBondContact O-CG 3.17Å; A233-L237 PolarHBondContact O-N 3.35Å |
| 234 | V | 96 | Very high | 93.9 | Very high | 70 Ų | 70 | 59 Ų | 59 | 42% | 0.424 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -63.7 | -44 | 176.1 | 170.1 | 0 | 0 | 0 | 0 | 110.9 | I230 G231 V232 E236 L237 L238 | I230-V234 HydrophobicContact CG2-CG2 4.15Å; I230-V234 WeakPolarHBondContact O-CB 3.18Å; I230-V234 VanDerWaalsContact O-CG2 3.24Å; I230-V234 WeakPolarHBondContact O-CG2 3.44Å; I230-V234 PolarHBondContact O-N 3.35Å; G231-V234 PolarHBondContact O-N 2.7Å; V232-V234 VanDerWaalsContact C-N 3.32Å; V232-V234 PolarHBondContact O-N 2.99Å; V234-E236 VanDerWaalsContact C-N 3.35Å; V234-E236 PolarHBondContact O-N 3.19Å; V234-L237 PolarHBondContact O-N 3.28Å; V234-L238 HydrophobicContact CG1-CD1 4.02Å; V234-L238 HydrophobicContact CG1-CG 4.41Å; V234-L238 WeakPolarHBondContact O-CB 3.42Å; V234-L238 VanDerWaalsContact O-CG 3.28Å; V234-L238 WeakPolarHBondContact O-CG 3.25Å; V234-L238 PolarHBondContact O-N 3.01Å |
| 235 | V | 93.8 | Very high | 93.6 | Very high | 49 Ų | 49 | 57.1 Ų | 57.1 | 30% | 0.297 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -60 | -44.4 | 176.4 | 157.8 | 0 | 0 | 0 | 0 | 111.5 | F21 F25 G231 V232 L238 G239 | F21-V235 HydrophobicContact CE1-CG1 3.89Å; F21-V235 HydrophobicContact CZ-CB 4.42Å; F21-V235 HydrophobicContact CZ-CG1 3.55Å; F21-V235 HydrophobicContact CZ-CG2 4.23Å; F25-V235 HydrophobicContact CZ-CG1 3.94Å; G231-V235 WeakPolarHBondContact O-CB 3.43Å; G231-V235 WeakPolarHBondContact O-CG2 3.33Å; G231-V235 PolarHBondContact O-N 2.87Å; V232-V235 WeakPolarHBondContact O-CB 3.25Å; V232-V235 PolarHBondContact O-N 2.82Å; V232-V235 VanDerWaalsContact O-N 3.16Å; V235-L238 PolarHBondContact O-N 2.82Å; V235-G239 PolarHBondContact O-N 3.08Å |
| 236 | E | 94.9 | Very high | 93.4 | Very high | 16 Ų | 16 | 54.2 Ų | 54.2 | 8% | 0.075 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -63.3 | -44.7 | 176.9 | -69.8 | 177 | 175.1 | 0 | 0 | 111.9 | L97 I100 L101 Q104 V232 A233 V234 L238 G239 M240 | L97-E236 HydrophobicContact CD2-CG 4.34Å; I100-E236 VanDerWaalsContact CG2-OE1 3.23Å; I100-E236 WeakPolarHBondContact CG2-OE1 3.2Å; L101-E236 WeakPolarHBondContact CB-OE2 3.26Å; L101-E236 WeakPolarHBondContact CD1-OE2 3.29Å; Q104-E236 PolarHBondContact NE2-OE1 3.48Å; Q104-E236 PolarHBondContact OE1-OE2 3.35Å; V232-E236 WeakPolarHBondContact O-CG 3.37Å; V232-E236 PolarHBondContact O-N 3.49Å; A233-E236 PolarHBondContact O-N 3.26Å; V234-E236 VanDerWaalsContact C-N 3.35Å; V234-E236 PolarHBondContact O-N 3.19Å; E236-L238 VanDerWaalsContact C-N 3.35Å; E236-L238 PolarHBondContact O-N 3.38Å; E236-G239 PolarHBondContact O-N 3.33Å; E236-M240 WeakPolarHBondContact O-CG 3.4Å; E236-M240 PolarHBondContact O-N 3.33Å |
| 237 | L | 95.5 | Very high | 93.1 | Very high | 81 Ų | 81 | 51.2 Ų | 51.2 | 42% | 0.424 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -59.8 | -44.1 | 175.5 | -72.9 | 168.5 | 0 | 0 | 0 | 111.8 | L101 A233 V234 M240 I241 | L101-L237 HydrophobicContact CD2-CD2 4.05Å; L101-L237 HydrophobicContact CD2-CG 4.47Å; A233-L237 WeakPolarHBondContact O-CB 3.39Å; A233-L237 VanDerWaalsContact O-CG 3.24Å; A233-L237 WeakPolarHBondContact O-CG 3.17Å; A233-L237 PolarHBondContact O-N 3.35Å; V234-L237 PolarHBondContact O-N 3.28Å; L237-M240 HydrophobicContact CD2-CE 3.79Å; L237-M240 HydrophobicContact CG-CE 4.36Å; L237-M240 PolarHBondContact O-N 3.34Å; L237-I241 VanDerWaalsContact O-CG1 3.24Å; L237-I241 WeakPolarHBondContact O-CG1 3.06Å; L237-I241 PolarHBondContact O-N 3.17Å |
| 238 | L | 93.7 | Very high | 92.7 | Very high | 90 Ų | 90 | 56.7 Ų | 56.7 | 47% | 0.471 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -62.1 | -46.3 | 175.8 | -72.2 | 172.4 | 0 | 0 | 0 | 111.3 | V234 V235 E236 M240 I241 L242 | V234-L238 HydrophobicContact CG1-CD1 4.02Å; V234-L238 HydrophobicContact CG1-CG 4.41Å; V234-L238 WeakPolarHBondContact O-CB 3.42Å; V234-L238 VanDerWaalsContact O-CG 3.28Å; V234-L238 WeakPolarHBondContact O-CG 3.25Å; V234-L238 PolarHBondContact O-N 3.01Å; V235-L238 PolarHBondContact O-N 2.82Å; E236-L238 VanDerWaalsContact C-N 3.35Å; E236-L238 PolarHBondContact O-N 3.38Å; L238-M240 VanDerWaalsContact C-N 3.3Å; L238-M240 PolarHBondContact O-N 2.52Å; L238-I241 PolarHBondContact O-N 2.82Å; L238-L242 WeakPolarHBondContact O-CB 3.17Å; L238-L242 WeakPolarHBondContact O-CG 3.46Å; L238-L242 PolarHBondContact O-N 3.42Å |
| 239 | G | 92.9 | Very high | 92.1 | Very high | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -57.2 | -42.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | V235 E236 S243 | V235-G239 PolarHBondContact O-N 3.08Å; E236-G239 PolarHBondContact O-N 3.33Å; G239-S243 VanDerWaalsContact O-CB 3.29Å; G239-S243 WeakPolarHBondContact O-CB 3.24Å; G239-S243 PolarHBondContact O-N 3.08Å |
| 240 | M | 95 | Very high | 91.7 | Very high | 9 Ų | 9 | 49.4 Ų | 49.4 | 4% | 0.044 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -64.3 | -46.5 | 176.1 | -77.3 | -168.6 | -72.6 | 0 | 0 | 112.9 | F94 L97 L98 L101 E236 L237 L238 S243 M244 | F94-M240 HydrophobicContact CD2-CB 3.69Å; F94-M240 HydrophobicContact CD2-CG 3.73Å; F94-M240 HydrophobicContact CD2-SD 4.29Å; F94-M240 HydrophobicContact CE2-CB 3.71Å; F94-M240 HydrophobicContact CE2-CG 3.91Å; F94-M240 HydrophobicContact CE2-SD 3.99Å; F94-M240 HydrophobicContact CZ-SD 4.43Å; L97-M240 HydrophobicContact CB-CG 3.69Å; L97-M240 HydrophobicContact CB-SD 4.18Å; L97-M240 HydrophobicContact CD1-CG 3.97Å; L98-M240 HydrophobicContact CB-SD 3.86Å; L98-M240 HydrophobicContact CD1-SD 4.24Å; L101-M240 HydrophobicContact CD2-CE 3.83Å; E236-M240 WeakPolarHBondContact O-CG 3.4Å; E236-M240 PolarHBondContact O-N 3.33Å; L237-M240 HydrophobicContact CD2-CE 3.79Å; L237-M240 HydrophobicContact CG-CE 4.36Å; L237-M240 PolarHBondContact O-N 3.34Å; L238-M240 VanDerWaalsContact C-N 3.3Å; L238-M240 PolarHBondContact O-N 2.52Å; M240-S243 PolarHBondContact O-N 2.93Å; M240-M244 WeakPolarHBondContact O-CG 3.4Å; M240-M244 PolarHBondContact O-N 3.42Å |
| 241 | I | 93.1 | Very high | 91.1 | Very high | 89 Ų | 89 | 46.2 Ų | 46.2 | 46% | 0.456 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -61.3 | -48.3 | 178.3 | -68.9 | 163.9 | 0 | 0 | 0 | 110.2 | L237 L238 S243 M244 C245 | L237-I241 VanDerWaalsContact O-CG1 3.24Å; L237-I241 WeakPolarHBondContact O-CG1 3.06Å; L237-I241 PolarHBondContact O-N 3.17Å; L238-I241 PolarHBondContact O-N 2.82Å; I241-S243 PolarHBondContact O-N 3.01Å; I241-M244 PolarHBondContact O-N 2.9Å; I241-C245 WeakPolarHBondContact O-CB 3.49Å; I241-C245 PolarHBondContact O-N 3.23Å; I241-C245 PolarHBondContact O-SG 3.23Å |
| 242 | L | 91.4 | Very high | 90.2 | Very high | 32 Ų | 32 | 50.3 Ų | 50.3 | 17% | 0.168 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -64.4 | -40.9 | -179.1 | -65.3 | 169.7 | 0 | 0 | 0 | 111.7 | T14 F17 L18 L238 C245 L246 | T14-L242 HydrophobicContact CG2-CB 4.49Å; T14-L242 HydrophobicContact CG2-CD2 3.83Å; F17-L242 HydrophobicContact CD1-CD1 3.85Å; F17-L242 HydrophobicContact CE1-CD1 3.85Å; L18-L242 HydrophobicContact CD1-CB 3.96Å; L18-L242 HydrophobicContact CD1-CD1 4.35Å; L18-L242 HydrophobicContact CD2-CB 4.49Å; L238-L242 WeakPolarHBondContact O-CB 3.17Å; L238-L242 WeakPolarHBondContact O-CG 3.46Å; L238-L242 PolarHBondContact O-N 3.42Å; L242-C245 PolarHBondContact O-N 3.37Å; L242-L246 WeakPolarHBondContact O-CB 3.35Å; L242-L246 PolarHBondContact O-N 2.89Å |
| 243 | S | 91.3 | Very high | 89.4 | Confident | 2 Ų | 2 | 51.8 Ų | 51.8 | 1% | 0.014 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -60.2 | -46.7 | 174.4 | -179 | 0 | 0 | 0 | 0 | 111.9 | L90 G239 M240 I241 L246 C247 | L90-S243 WeakPolarHBondContact CD2-OG 3.45Å; L90-S243 PolarHBondContact O-OG 2.95Å; G239-S243 VanDerWaalsContact O-CB 3.29Å; G239-S243 WeakPolarHBondContact O-CB 3.24Å; G239-S243 PolarHBondContact O-N 3.08Å; M240-S243 PolarHBondContact O-N 2.93Å; I241-S243 PolarHBondContact O-N 3.01Å; S243-L246 PolarHBondContact O-N 2.88Å; S243-C247 VanDerWaalsContact O-CB 3.29Å; S243-C247 WeakPolarHBondContact O-CB 3.31Å; S243-C247 PolarHBondContact O-N 2.91Å |
| 244 | M | 90.2 | Very high | 88.4 | Confident | 83 Ų | 83 | 54 Ų | 54 | 41% | 0.409 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -64.3 | -41.9 | 177.5 | -76.5 | -165.1 | -67.7 | 0 | 0 | 112.7 | F94 M240 I241 C247 K248 | F94-M244 HydrophobicContact CD2-CG 3.73Å; F94-M244 HydrophobicContact CD2-SD 4.27Å; F94-M244 HydrophobicContact CE2-CE 3.77Å; F94-M244 HydrophobicContact CE2-CG 3.7Å; F94-M244 HydrophobicContact CE2-SD 3.62Å; F94-M244 HydrophobicContact CZ-CE 4.45Å; F94-M244 HydrophobicContact CZ-CG 4.47Å; F94-M244 HydrophobicContact CZ-SD 4Å; M240-M244 WeakPolarHBondContact O-CG 3.4Å; M240-M244 PolarHBondContact O-N 3.42Å; I241-M244 PolarHBondContact O-N 2.9Å; M244-C247 PolarHBondContact O-N 3.44Å; M244-K248 WeakPolarHBondContact O-CB 3.26Å; M244-K248 WeakPolarHBondContact O-CG 3.05Å; M244-K248 PolarHBondContact O-N 3.2Å |
| 245 | C | 88.8 | Confident | 87.2 | Confident | 69 Ų | 69 | 58.5 Ų | 58.5 | 47% | 0.466 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -59.6 | -47.1 | 176.5 | -74 | 0 | 0 | 0 | 0 | 111.2 | I241 L242 K248 S249 | I241-C245 WeakPolarHBondContact O-CB 3.49Å; I241-C245 PolarHBondContact O-N 3.23Å; I241-C245 PolarHBondContact O-SG 3.23Å; L242-C245 PolarHBondContact O-N 3.37Å; C245-K248 PolarHBondContact O-N 2.81Å; C245-S249 PolarHBondContact O-N 2.93Å; C245-S249 PolarHBondContact O-OG 2.91Å |
| 246 | L | 87.9 | Confident | 86.3 | Confident | 1 Ų | 1 | 60.9 Ų | 60.9 | 1% | 0.005 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -67.6 | -40.2 | 178.6 | -168.8 | 63.1 | 0 | 0 | 0 | 111.7 | I11 K15 L18 A82 L90 L242 S243 K248 S249 V250 | I11-L246 HydrophobicContact CG2-CD1 4.21Å; K15-L246 HydrophobicContact CB-CD1 4.1Å; L18-L246 HydrophobicContact CD2-CD2 4.08Å; A82-L246 HydrophobicContact CB-CD2 4.07Å; L90-L246 HydrophobicContact CD1-CD2 4.43Å; L90-L246 HydrophobicContact CD2-CB 4.26Å; L90-L246 HydrophobicContact CD2-CD2 4.03Å; L90-L246 HydrophobicContact CD2-CG 4.45Å; L242-L246 WeakPolarHBondContact O-CB 3.35Å; L242-L246 PolarHBondContact O-N 2.89Å; S243-L246 PolarHBondContact O-N 2.88Å; L246-K248 PolarHBondContact O-N 3.39Å; L246-S249 WeakPolarHBondContact CA-OG 3.13Å; L246-S249 PolarHBondContact O-N 3.3Å; L246-S249 PolarHBondContact O-OG 3.02Å; L246-V250 VanDerWaalsContact O-CG2 3.28Å; L246-V250 WeakPolarHBondContact O-CG2 3.28Å; L246-V250 PolarHBondContact O-N 3.27Å |
| 247 | C | 87.9 | Confident | 85.3 | Confident | 33 Ų | 33 | 66.4 Ų | 66.4 | 22% | 0.223 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -60.3 | -45.3 | 175.2 | -171.2 | 0 | 0 | 0 | 0 | 111.5 | S243 M244 S249 V250 V251 | S243-C247 VanDerWaalsContact O-CB 3.29Å; S243-C247 WeakPolarHBondContact O-CB 3.31Å; S243-C247 PolarHBondContact O-N 2.91Å; M244-C247 PolarHBondContact O-N 3.44Å; C247-S249 PolarHBondContact O-N 3.19Å; C247-V250 PolarHBondContact O-N 3.04Å; C247-V251 WeakPolarHBondContact O-CG2 3.25Å; C247-V251 PolarHBondContact O-N 3.25Å |
| 248 | K | 86.1 | Confident | 84.1 | Confident | 155 Ų | 155 | 66.8 Ų | 66.8 | 67% | 0.674 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -62.6 | -38.5 | 175.9 | -76.4 | -175.8 | 179.7 | -178.4 | 0 | 112.8 | M244 C245 L246 V251 Q252 | M244-K248 WeakPolarHBondContact O-CB 3.26Å; M244-K248 WeakPolarHBondContact O-CG 3.05Å; M244-K248 PolarHBondContact O-N 3.2Å; C245-K248 PolarHBondContact O-N 2.81Å; L246-K248 PolarHBondContact O-N 3.39Å; K248-V251 WeakPolarHBondContact O-CB 3.35Å; K248-V251 PolarHBondContact O-N 2.87Å; K248-Q252 PolarHBondContact O-N 2.89Å |
| 249 | S | 83.9 | Confident | 82.4 | Confident | 21 Ų | 21 | 66.2 Ų | 66.2 | 15% | 0.147 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -66.7 | -41.2 | 177.4 | 55.8 | 0 | 0 | 0 | 0 | 112.4 | C245 L246 C247 V251 Q252 E253 | C245-S249 PolarHBondContact O-N 2.93Å; C245-S249 PolarHBondContact O-OG 2.91Å; L246-S249 WeakPolarHBondContact CA-OG 3.13Å; L246-S249 PolarHBondContact O-N 3.3Å; L246-S249 PolarHBondContact O-OG 3.02Å; C247-S249 PolarHBondContact O-N 3.19Å; S249-V251 VanDerWaalsContact C-N 3.29Å; S249-V251 PolarHBondContact O-N 2.62Å; S249-Q252 PolarHBondContact O-N 3.39Å; S249-E253 PolarHBondContact O-N 2.73Å |
| 250 | V | 83.4 | Confident | 80.9 | Confident | 10 Ų | 10 | 76.2 Ų | 76.2 | 6% | 0.061 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -62.9 | -39.7 | 175.5 | 177.8 | 0 | 0 | 0 | 0 | 110.5 | E85 R87 L246 C247 E253 D254 | E85-V250 HydrophobicContact CB-CG1 4.37Å; E85-V250 HydrophobicContact CB-CG2 3.64Å; E85-V250 HydrophobicContact CG-CG2 3.85Å; R87-V250 HydrophobicContact CG-CB 4.39Å; R87-V250 HydrophobicContact CG-CG1 3.86Å; R87-V250 PolarHBondContact NH2-O 3.48Å; L246-V250 VanDerWaalsContact O-CG2 3.28Å; L246-V250 WeakPolarHBondContact O-CG2 3.28Å; L246-V250 PolarHBondContact O-N 3.27Å; C247-V250 PolarHBondContact O-N 3.04Å; V250-E253 PolarHBondContact O-N 3.47Å; V250-D254 PolarHBondContact O-N 3.46Å |
| 251 | V | 81.4 | Confident | 78.9 | Confident | 42 Ų | 42 | 88.8 Ų | 88.8 | 26% | 0.255 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -56.4 | -51.2 | 173.6 | 174.2 | 0 | 0 | 0 | 0 | 111.8 | R87 C247 K248 S249 E253 D254 Y255 | R87-V251 VanDerWaalsContact NH2-CA 3.32Å; C247-V251 WeakPolarHBondContact O-CG2 3.25Å; C247-V251 PolarHBondContact O-N 3.25Å; K248-V251 WeakPolarHBondContact O-CB 3.35Å; K248-V251 PolarHBondContact O-N 2.87Å; S249-V251 VanDerWaalsContact C-N 3.29Å; S249-V251 PolarHBondContact O-N 2.62Å; V251-E253 VanDerWaalsContact C-N 3.3Å; V251-E253 PolarHBondContact O-N 2.81Å; V251-D254 PolarHBondContact O-N 3.32Å; V251-Y255 HydrophobicContact CG1-CD2 3.65Å; V251-Y255 HydrophobicContact CG1-CE2 3.41Å; V251-Y255 VanDerWaalsContact CG1-CE2 3.41Å; V251-Y255 WeakPolarHBondContact O-CD2 3.32Å; V251-Y255 PolarHBondContact O-N 3.45Å |
| 252 | Q | 78.4 | Confident | 78.2 | Confident | 120 Ų | 120 | 88.8 Ų | 88.8 | 56% | 0.561 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -61.9 | -38.8 | -179.1 | -172.7 | 62.5 | 29.7 | 0 | 0 | 112.1 | K248 S249 Y255 T256 | K248-Q252 PolarHBondContact O-N 2.89Å; S249-Q252 PolarHBondContact O-N 3.39Å; Q252-Y255 PolarHBondContact O-N 3.19Å; Q252-T256 WeakPolarHBondContact O-CG2 3.47Å; Q252-T256 PolarHBondContact O-N 2.89Å; Q252-T256 VanDerWaalsContact O-N 3.15Å; Q252-T256 PolarHBondContact O-OG1 3.35Å |
| 253 | E | 76.4 | Confident | 77.5 | Confident | 90 Ų | 90 | 91.8 Ų | 91.8 | 42% | 0.421 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -64.4 | -44.5 | -179.7 | -163.2 | 179.4 | 145 | 0 | 0 | 111.9 | S249 V250 V251 Y255 T256 K257 | S249-E253 PolarHBondContact O-N 2.73Å; V250-E253 PolarHBondContact O-N 3.47Å; V251-E253 VanDerWaalsContact C-N 3.3Å; V251-E253 PolarHBondContact O-N 2.81Å; E253-Y255 PolarHBondContact O-N 3.06Å; E253-T256 PolarHBondContact O-N 3.28Å; E253-T256 PolarHBondContact O-OG1 3Å; E253-K257 WeakPolarHBondContact O-CG 3.14Å; E253-K257 PolarHBondContact O-N 2.99Å; E253-K257 WeakPolarHBondContact OE1-CE 3.07Å; E253-K257 IonicContact OE1-NZ 2.75Å; E253-K257 PolarHBondContact OE1-NZ 3.16Å |
| 254 | D | 75.3 | Confident | 76.8 | Confident | 72 Ų | 72 | 96.8 Ų | 96.8 | 39% | 0.385 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -67.6 | -36.5 | 178.5 | -69.5 | -28 | 0 | 0 | 0 | 112.4 | R87 V250 V251 T256 K257 | R87-D254 IonicContact CZ-OD2 3.48Å; R87-D254 IonicContact NE-OD2 3.73Å; R87-D254 VanDerWaalsContact NH2-CG 3.29Å; R87-D254 IonicContact NH2-OD2 2.58Å; R87-D254 PolarHBondContact NH2-OD2 3.09Å; V250-D254 PolarHBondContact O-N 3.46Å; V251-D254 PolarHBondContact O-N 3.32Å; D254-T256 VanDerWaalsContact C-N 3.29Å; D254-T256 PolarHBondContact O-N 3.43Å; D254-K257 PolarHBondContact O-N 3Å; D254-K257 VanDerWaalsContact O-N 3.16Å |
| 255 | Y | 70.6 | Confident | 76 | Confident | 164 Ų | 164 | 97.6 Ų | 97.6 | 64% | 0.643 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -61.7 | -36.3 | 173.4 | -83.6 | -66.4 | 0 | 0 | 0 | 112.6 | V251 Q252 E253 K257 V258 | V251-Y255 HydrophobicContact CG1-CD2 3.65Å; V251-Y255 HydrophobicContact CG1-CE2 3.41Å; V251-Y255 VanDerWaalsContact CG1-CE2 3.41Å; V251-Y255 WeakPolarHBondContact O-CD2 3.32Å; V251-Y255 PolarHBondContact O-N 3.45Å; Q252-Y255 PolarHBondContact O-N 3.19Å; E253-Y255 PolarHBondContact O-N 3.06Å; Y255-K257 VanDerWaalsContact C-N 3.25Å; Y255-K257 PolarHBondContact O-N 2.03Å; Y255-V258 PolarHBondContact O-N 3.41Å |
| 256 | T | 74.7 | Confident | 75.2 | Confident | 100 Ų | 100 | 99.4 Ų | 99.4 | 61% | 0.613 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -72.2 | -18.4 | 177.9 | 56.9 | 0 | 0 | 0 | 0 | 113.8 | Q252 E253 D254 | Q252-T256 WeakPolarHBondContact O-CG2 3.47Å; Q252-T256 PolarHBondContact O-N 2.89Å; Q252-T256 VanDerWaalsContact O-N 3.15Å; Q252-T256 PolarHBondContact O-OG1 3.35Å; E253-T256 PolarHBondContact O-N 3.28Å; E253-T256 PolarHBondContact O-OG1 3Å; D254-T256 VanDerWaalsContact C-N 3.29Å; D254-T256 PolarHBondContact O-N 3.43Å |
| 257 | K | 73.6 | Confident | 74.3 | Confident | 131 Ų | 131 | 105.9 Ų | 105.9 | 57% | 0.57 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -84.7 | -15.7 | 177.7 | -69.9 | 171.3 | -175.9 | 162.2 | 0 | 113.2 | E253 D254 Y255 P259 | E253-K257 WeakPolarHBondContact O-CG 3.14Å; E253-K257 PolarHBondContact O-N 2.99Å; E253-K257 WeakPolarHBondContact OE1-CE 3.07Å; E253-K257 IonicContact OE1-NZ 2.75Å; E253-K257 PolarHBondContact OE1-NZ 3.16Å; D254-K257 PolarHBondContact O-N 3Å; D254-K257 VanDerWaalsContact O-N 3.16Å; Y255-K257 VanDerWaalsContact C-N 3.25Å; Y255-K257 PolarHBondContact O-N 2.03Å; K257-P259 WeakPolarHBondContact O-CD 3.36Å |
| 258 | V | 71 | Confident | 73.4 | Confident | 90 Ų | 90 | 111.1 Ų | 111.1 | 55% | 0.545 | 53% | 0.526 | S | S | . | . | S | Bend | trans | -77.9 | 119.6 | 176 | -173.6 | 0 | 0 | 0 | 0 | 109.2 | Y255 K260 | Y255-V258 PolarHBondContact O-N 3.41Å; V258-K260 PolarHBondContact O-N 3.16Å |
| 259 | P | 57.3 | Low | 72.4 | Confident | 78 Ų | 78 | 107.8 Ų | 107.8 | 51% | 0.506 | 52% | 0.515 | S | S | . | . | trans | -62.2 | 129.1 | 176.4 | 25.6 | -33.2 | 0 | 0 | 0 | 109.7 | K257 Y261 | K257-P259 WeakPolarHBondContact O-CD 3.36Å; P259-Y261 HydrophobicContact CG-CE1 4.42Å; P259-Y261 HydrophobicContact CG-CE2 4.2Å; P259-Y261 WeakPolarHBondContact O-CD2 3.47Å; P259-Y261 WeakPolarHBondContact O-CE2 3.24Å; P259-Y261 PolarHBondContact O-N 2.79Å | ||
| 260 | K | 60.8 | Low | 71.4 | Confident | 210 Ų | 210 | 115 Ų | 115 | 91% | 0.913 | 55% | 0.545 | S | S | * | . | trans | -75.3 | 111.4 | 171.5 | -67.8 | -175.5 | 179.9 | -177.8 | 0 | 107.6 | V258 | V258-K260 PolarHBondContact O-N 3.16Š| ||
| 261 | Y | 54.2 | Low | 70.3 | Confident | 273 Ų | 273 | 124.5 Ų | 124.5 | 100% | 1.071 | 59% | 0.589 | S | S | * | * | trans | -78.6 | 0 | 170 | -54.4 | -81.4 | 0 | 0 | 0 | 110.4 | P259 | P259-Y261 HydrophobicContact CG-CE1 4.42Å; P259-Y261 HydrophobicContact CG-CE2 4.2Å; P259-Y261 WeakPolarHBondContact O-CD2 3.47Å; P259-Y261 WeakPolarHBondContact O-CE2 3.24Å; P259-Y261 PolarHBondContact O-N 2.79Å |
Retrieved 261 of 261 residues in 399.7 ms
(Link to these results)