| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 94.9 | Very high | 96.7 | Very high | 90 Ų | 90 | 22.8 Ų | 22.8 | 44% | 0.443 | 12% | 0.116 | S | C | . | . | 0 | 148.3 | 0 | -76.5 | 179.8 | -72.3 | 0 | 0 | 108.8 | H25 S26 T112 A113 R138 L140 | M1-H25 WeakPolarHBondContact CE-CE1 3.29Å; M1-H25 PolarHBondContact N-ND1 2.87Å; M1-H25 CarbonylContact O-C 3.59Å; M1-H25 WeakPolarHBondContact O-CA 3.38Å; M1-H25 WeakPolarHBondContact O-CB 3.46Å; M1-S26 PolarHBondContact O-N 3.03Å; M1-T112 WeakPolarHBondContact CB-OG1 3.42Å; M1-A113 HydrophobicContact CB-CB 4.47Å; M1-A113 HydrophobicContact SD-CB 4.33Å; M1-R138 HydrophobicContact SD-CB 4.36Å; M1-R138 HydrophobicContact SD-CG 4.18Å; M1-L140 HydrophobicContact CE-CD2 3.85Å | |||
| 2 | K | 98.2 | Very high | 96.6 | Very high | 88 Ų | 88 | 22.9 Ų | 22.9 | 38% | 0.383 | 12% | 0.117 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 128.8 | 166.5 | -73.3 | -178.4 | 173.6 | -165.4 | 0 | 108.5 | S26 V28 D110 T112 A113 | K2-S26 WeakPolarHBondContact CA-O 3.49Å; K2-V28 HydrophobicContact CB-CG1 3.84Å; K2-V28 HydrophobicContact CD-CG1 3.98Å; K2-V28 HydrophobicContact CG-CG1 3.87Å; K2-D110 HydrophobicContact CD-CB 4.28Å; K2-D110 VanDerWaalsContact CD-CG 3.48Å; K2-D110 VanDerWaalsContact CD-OD2 3.23Å; K2-D110 WeakPolarHBondContact CD-OD2 3.29Å; K2-D110 WeakPolarHBondContact CE-OD2 3.4Å; K2-D110 IonicContact NZ-OD2 3.41Å; K2-D110 PolarHBondContact NZ-OD2 3.14Å; K2-T112 PolarHBondContact O-N 2.93Å; K2-T112 PolarHBondContact O-OG1 2.91Å; K2-A113 PolarHBondContact O-N 3.09Å |
| 3 | F | 98.6 | Very high | 96.6 | Very high | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 152.8 | -175.7 | 79 | -84.2 | 0 | 0 | 0 | 112.8 | A5 I17 C20 H25 S26 L27 V28 A113 S115 L140 | F3-A5 HydrophobicContact CE2-CB 4.08Å; F3-I17 HydrophobicContact CE2-CG1 4.43Å; F3-I17 HydrophobicContact CZ-CG2 4.24Å; F3-C20 HydrophobicContact CD1-CB 4.23Å; F3-C20 HydrophobicContact CE1-CB 3.55Å; F3-C20 HydrophobicContact CE2-CB 3.96Å; F3-C20 HydrophobicContact CZ-CB 3.4Å; F3-H25 HydrophobicContact CD1-CB 3.62Å; F3-H25 HydrophobicContact CE1-CB 3.87Å; F3-S26 VanDerWaalsContact CD1-C 3.4Å; F3-S26 WeakPolarHBondContact CD1-O 3.36Å; F3-S26 VanDerWaalsContact CE1-C 3.43Å; F3-S26 PolarHBondContact N-O 3.3Å; F3-L27 HydrophobicContact CD2-CD1 4.07Å; F3-L27 HydrophobicContact CE1-CB 3.91Å; F3-L27 HydrophobicContact CE2-CB 4.33Å; F3-L27 HydrophobicContact CE2-CD1 3.49Å; F3-L27 VanDerWaalsContact CE2-CD1 3.49Å; F3-L27 HydrophobicContact CZ-CB 3.71Å; F3-L27 HydrophobicContact CZ-CD1 3.77Å; F3-L27 HydrophobicContact CZ-CG 4.34Å; F3-V28 VanDerWaalsContact O-CG2 3.3Å; F3-V28 WeakPolarHBondContact O-CG2 3.5Å; F3-V28 PolarHBondContact O-N 3.45Å; F3-A113 WeakPolarHBondContact CA-O 3.39Å; F3-A113 HydrophobicContact CB-CB 3.83Å; F3-S115 WeakPolarHBondContact CD2-OG 3.22Å; F3-S115 VanDerWaalsContact CE2-OG 3.31Å; F3-S115 WeakPolarHBondContact CE2-OG 3.43Å; F3-L140 HydrophobicContact CB-CD1 3.82Å; F3-L140 HydrophobicContact CG-CD1 4.09Å |
| 4 | V | 98.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 136.9 | 168.5 | 171 | 0 | 0 | 0 | 0 | 109.3 | V28 A29 V31 V104 V111 A113 V114 S115 | V4-V28 HydrophobicContact CG2-CG2 3.75Å; V4-A29 WeakPolarHBondContact CA-O 3.34Å; V4-A29 HydrophobicContact CG1-CB 4.47Å; V4-A29 HydrophobicContact CG2-CB 3.92Å; V4-V31 HydrophobicContact CG1-CB 3.92Å; V4-V31 HydrophobicContact CG1-CG2 3.39Å; V4-V104 HydrophobicContact CG2-CG1 3.66Å; V4-V111 HydrophobicContact CG2-CG1 4.05Å; V4-V111 HydrophobicContact CG2-CG2 3.79Å; V4-A113 PolarHBondContact N-O 3.04Å; V4-V114 CarbonylContact O-C 3.47Å; V4-V114 VanDerWaalsContact O-CA 3.26Å; V4-V114 WeakPolarHBondContact O-CA 3.5Å; V4-S115 PolarHBondContact O-N 3.48Å |
| 5 | A | 98.5 | Very high | 96.8 | Very high | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 127.3 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | F3 V7 I17 L27 A29 L30 V31 S115 | F3-A5 HydrophobicContact CE2-CB 4.08Å; A5-V7 HydrophobicContact CB-CG1 4.04Å; A5-V7 PolarHBondContact O-N 3.14Å; A5-I17 HydrophobicContact CB-CD1 3.61Å; A5-I17 HydrophobicContact CB-CG1 3.57Å; A5-L27 HydrophobicContact CB-CD1 3.7Å; A5-A29 PolarHBondContact N-O 2.69Å; A5-L30 HydrophobicContact CB-CD2 3.92Å; A5-V31 PolarHBondContact O-N 3.18Å; A5-S115 WeakPolarHBondContact CA-OG 3.37Å; A5-S115 WeakPolarHBondContact CB-OG 3.31Å |
| 6 | L | 98 | Very high | 96.9 | Very high | 26 Ų | 26 | 17.6 Ų | 17.6 | 14% | 0.136 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 114.8 | 163.4 | -51.2 | -174.2 | 0 | 0 | 0 | 107.6 | V31 L97 V114 S115 V128 | L6-V31 WeakPolarHBondContact CA-O 3.38Å; L6-V31 HydrophobicContact CD2-CB 3.82Å; L6-V31 HydrophobicContact CD2-CG1 3.49Å; L6-V31 VanDerWaalsContact CD2-CG1 3.49Å; L6-L97 HydrophobicContact CD1-CD1 3.94Å; L6-L97 HydrophobicContact CD1-CD2 3.99Å; L6-L97 HydrophobicContact CD2-CD1 3.56Å; L6-L97 HydrophobicContact CG-CD1 4.42Å; L6-V114 HydrophobicContact CD1-CG1 3.88Å; L6-V114 HydrophobicContact CD2-CG1 3.72Å; L6-V114 HydrophobicContact CG-CG1 3.54Å; L6-S115 WeakPolarHBondContact CB-O 3.24Å; L6-S115 WeakPolarHBondContact CG-O 3.3Å; L6-S115 PolarHBondContact N-O 2.69Å; L6-V128 HydrophobicContact CD1-CG1 4.16Å; L6-V128 HydrophobicContact CD1-CG2 3.9Å |
| 7 | V | 96.7 | Very high | 97 | Very high | 10 Ų | 10 | 16.6 Ų | 16.6 | 6% | 0.061 | 9% | 0.085 | C | C | . | . | trans | -115.8 | 137.6 | -176.2 | -67.2 | 0 | 0 | 0 | 0 | 111.3 | A5 I17 L30 V31 N32 I59 | A5-V7 HydrophobicContact CB-CG1 4.04Å; A5-V7 PolarHBondContact O-N 3.14Å; V7-I17 HydrophobicContact CG1-CD1 3.87Å; V7-L30 HydrophobicContact CG1-CD1 4.49Å; V7-L30 HydrophobicContact CG1-CD2 3.82Å; V7-L30 HydrophobicContact CG2-CB 3.96Å; V7-L30 HydrophobicContact CG2-CD1 4.22Å; V7-L30 HydrophobicContact CG2-CG 4.47Å; V7-V31 PolarHBondContact N-O 3.18Å; V7-N32 HydrophobicContact CG2-CB 4.21Å; V7-N32 PolarHBondContact O-OD1 3.05Å; V7-I59 HydrophobicContact CG2-CG2 4.41Å | ||
| 8 | S | 93.6 | Very high | 97.1 | Very high | 32 Ų | 32 | 15.7 Ų | 15.7 | 22% | 0.224 | 8% | 0.081 | C | C | . | . | trans | -102.1 | -6.7 | 163.5 | 71.4 | 0 | 0 | 0 | 0 | 112.2 | G10 S13 Q52 I59 | S8-G10 PolarHBondContact O-N 2.75Å; S8-G10 PolarHBondContact OG-N 3Å; S8-S13 PolarHBondContact N-OG 3.35Å; S8-Q52 PolarHBondContact OG-OE1 2.93Å; S8-I59 VanDerWaalsContact C-CD1 3.41Å; S8-I59 WeakPolarHBondContact O-CD1 3.27Å | ||
| 9 | G | 93.5 | Very high | 97.1 | Very high | 0 Ų | 0 | 14.8 Ų | 14.8 | 0% | 0 | 8% | 0.076 | C | C | . | . | S | Bend | trans | 81.1 | -8.1 | -171.2 | 0 | 0 | 0 | 0 | 0 | 114 | V211 T212 | G9-V211 CarbonylContact O-C 3.38Å; G9-V211 WeakPolarHBondContact O-CA 3.4Å; G9-T212 PolarHBondContact O-N 3.09Å |
| 10 | G | 96 | Very high | 97.1 | Very high | 1 Ų | 1 | 14.1 Ų | 14.1 | 1% | 0.01 | 7% | 0.073 | C | C | . | . | S | Bend | trans | -82.9 | 170.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | S8 D12 S13 I14 T210 | S8-G10 PolarHBondContact O-N 2.75Å; S8-G10 PolarHBondContact OG-N 3Å; G10-D12 VanDerWaalsContact C-N 3.27Å; G10-D12 PolarHBondContact O-N 3.35Å; G10-D12 VanDerWaalsContact O-N 3.14Å; G10-S13 PolarHBondContact O-N 3.02Å; G10-S13 PolarHBondContact O-OG 3.07Å; G10-S13 VanDerWaalsContact O-OG 3.06Å; G10-I14 WeakPolarHBondContact O-CG1 3.36Å; G10-I14 PolarHBondContact O-N 2.85Å; G10-T210 WeakPolarHBondContact CA-O 3.27Å; G10-T210 WeakPolarHBondContact CA-OG1 3.47Å |
| 11 | K | 97 | Very high | 97.2 | Very high | 4 Ų | 4 | 14.6 Ų | 14.6 | 2% | 0.017 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -51.2 | -39.9 | -173 | 73.7 | -172.3 | -174.2 | -51.7 | 0 | 114 | Y15 I155 I160 A162 L182 C202 T210 | K11-Y15 VanDerWaalsContact O-CB 3.25Å; K11-Y15 WeakPolarHBondContact O-CB 3.28Å; K11-Y15 PolarHBondContact O-N 3.19Å; K11-I155 HydrophobicContact CB-CG2 4.01Å; K11-I155 HydrophobicContact CD-CD1 4.28Å; K11-I155 HydrophobicContact CG-CD1 4.14Å; K11-I155 HydrophobicContact CG-CG2 4.5Å; K11-I160 HydrophobicContact CB-CG2 4.38Å; K11-A162 HydrophobicContact CB-CB 4.17Å; K11-L182 HydrophobicContact CB-CD2 4.41Å; K11-L182 HydrophobicContact CD-CD2 3.53Å; K11-C202 PolarHBondContact NZ-O 3.37Å; K11-T210 HydrophobicContact CD-CG2 4.29Å; K11-T210 PolarHBondContact N-OG1 3.45Å |
| 12 | D | 96.4 | Very high | 97.2 | Very high | 24 Ų | 24 | 10.5 Ų | 10.5 | 13% | 0.128 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -76.3 | -43.3 | -169.9 | -46.8 | -56.8 | 0 | 0 | 0 | 111 | G10 I14 Y15 N16 G117 I119 L143 | G10-D12 VanDerWaalsContact C-N 3.27Å; G10-D12 PolarHBondContact O-N 3.35Å; G10-D12 VanDerWaalsContact O-N 3.14Å; D12-I14 VanDerWaalsContact C-N 3.32Å; D12-I14 PolarHBondContact O-N 3.46Å; D12-Y15 PolarHBondContact O-N 3.36Å; D12-N16 WeakPolarHBondContact O-CB 3.12Å; D12-N16 PolarHBondContact O-N 2.67Å; D12-G117 WeakPolarHBondContact CB-O 3.03Å; D12-I119 HydrophobicContact CB-CD1 4.4Å; D12-L143 HydrophobicContact CB-CD1 4.09Å; D12-L143 VanDerWaalsContact O-CD1 3.3Å; D12-L143 WeakPolarHBondContact O-CD1 3.34Å |
| 13 | S | 96.6 | Very high | 97.1 | Very high | 7 Ų | 7 | 7.7 Ų | 7.7 | 5% | 0.049 | 4% | 0.043 | C | C | . | . | H | α-helix | trans | -62.6 | -40.2 | 176.2 | 69.2 | 0 | 0 | 0 | 0 | 111.8 | S8 G10 I17 | S8-S13 PolarHBondContact N-OG 3.35Å; G10-S13 PolarHBondContact O-N 3.02Å; G10-S13 PolarHBondContact O-OG 3.07Å; G10-S13 VanDerWaalsContact O-OG 3.06Å; S13-I17 WeakPolarHBondContact O-CG1 3.09Å; S13-I17 PolarHBondContact O-N 3.4Å |
| 14 | I | 98.1 | Very high | 96.9 | Very high | 0 Ų | 0 | 10 Ų | 10 | 0% | 0 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -71.2 | -43.6 | 178.5 | -59.1 | -55.5 | 0 | 0 | 0 | 111.5 | G10 D12 N16 I17 M18 I62 I160 T212 C215 I217 F218 | G10-I14 WeakPolarHBondContact O-CG1 3.36Å; G10-I14 PolarHBondContact O-N 2.85Å; D12-I14 VanDerWaalsContact C-N 3.32Å; D12-I14 PolarHBondContact O-N 3.46Å; I14-N16 VanDerWaalsContact C-N 3.32Å; I14-N16 PolarHBondContact O-N 2.92Å; I14-I17 HydrophobicContact CD1-CD1 4.25Å; I14-I17 WeakPolarHBondContact O-CB 3.42Å; I14-I17 PolarHBondContact O-N 2.86Å; I14-I17 VanDerWaalsContact O-N 3.15Å; I14-M18 PolarHBondContact O-N 3.24Å; I14-I62 HydrophobicContact CD1-CG2 3.9Å; I14-I160 HydrophobicContact CG2-CD1 4.46Å; I14-T212 HydrophobicContact CG1-CG2 4.4Å; I14-T212 HydrophobicContact CG2-CG2 4.23Å; I14-C215 HydrophobicContact CG2-CB 4.33Å; I14-I217 HydrophobicContact CG2-CD1 4.2Å; I14-F218 HydrophobicContact CD1-CZ 4.44Å; I14-F218 HydrophobicContact CG2-CE1 4.45Å |
| 15 | Y | 98.3 | Very high | 96.8 | Very high | 0 Ų | 0 | 11.3 Ų | 11.3 | 0% | 0 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -63.6 | -38 | 176.6 | -174 | -110.2 | 0 | 0 | 0 | 112.1 | K11 D12 I17 M18 E19 L143 R146 L151 D154 I155 A158 I160 P286 F287 | K11-Y15 VanDerWaalsContact O-CB 3.25Å; K11-Y15 WeakPolarHBondContact O-CB 3.28Å; K11-Y15 PolarHBondContact O-N 3.19Å; D12-Y15 PolarHBondContact O-N 3.36Å; Y15-I17 VanDerWaalsContact C-N 3.29Å; Y15-I17 PolarHBondContact O-N 2.88Å; Y15-M18 WeakPolarHBondContact O-CB 3.22Å; Y15-M18 PolarHBondContact O-N 2.87Å; Y15-M18 VanDerWaalsContact O-N 3.11Å; Y15-E19 HydrophobicContact CD1-CG 4.33Å; Y15-E19 HydrophobicContact CE1-CG 3.89Å; Y15-E19 PolarHBondContact O-N 2.96Å; Y15-E19 PolarHBondContact OH-OE1 3.48Å; Y15-L143 HydrophobicContact CD1-CD1 4.05Å; Y15-L143 HydrophobicContact CD1-CD2 3.43Å; Y15-L143 VanDerWaalsContact CD1-CD2 3.43Å; Y15-L143 HydrophobicContact CD1-CG 4.41Å; Y15-L143 HydrophobicContact CE1-CD2 3.63Å; Y15-R146 PolarHBondContact OH-NH1 3.23Å; Y15-L151 HydrophobicContact CD1-CD1 3.56Å; Y15-L151 HydrophobicContact CE1-CD1 3.3Å; Y15-D154 HydrophobicContact CE2-CB 4.38Å; Y15-D154 WeakPolarHBondContact OH-CB 3.49Å; Y15-I155 HydrophobicContact CD1-CD1 4.41Å; Y15-I155 HydrophobicContact CD1-CG1 3.8Å; Y15-I155 HydrophobicContact CD2-CG1 3.92Å; Y15-I155 HydrophobicContact CE1-CG1 4.37Å; Y15-I155 HydrophobicContact CE2-CG1 4.46Å; Y15-I155 HydrophobicContact CG-CD1 4.43Å; Y15-I155 HydrophobicContact CG-CG1 3.57Å; Y15-A158 HydrophobicContact CD2-CB 4.15Å; Y15-A158 HydrophobicContact CE2-CB 3.95Å; Y15-I160 VanDerWaalsContact CB-CD1 3.45Å; Y15-I160 HydrophobicContact CD2-CD1 3.7Å; Y15-I160 HydrophobicContact CG-CD1 4.02Å; Y15-P286 PolarHBondContact OH-O 3.11Å; Y15-F287 HydrophobicContact CD2-CE1 4.12Å; Y15-F287 HydrophobicContact CD2-CZ 4.17Å; Y15-F287 HydrophobicContact CE2-CD1 4.31Å; Y15-F287 AromaticContact CE2-CE1 3.45Å; Y15-F287 HydrophobicContact CE2-CE1 3.45Å; Y15-F287 VanDerWaalsContact CE2-CE1 3.45Å; Y15-F287 AromaticContact CE2-CZ 3.66Å; Y15-F287 HydrophobicContact CE2-CZ 3.66Å; Y15-F287 AromaticContact CZ-CE1 3.92Å |
| 16 | N | 97.9 | Very high | 96.8 | Very high | 0 Ų | 0 | 14.6 Ų | 14.6 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -64.9 | -31 | 175.3 | -169.4 | 66.1 | 0 | 0 | 0 | 112.7 | D12 I14 E19 C20 S115 S116 L140 F142 L143 | D12-N16 WeakPolarHBondContact O-CB 3.12Å; D12-N16 PolarHBondContact O-N 2.67Å; I14-N16 VanDerWaalsContact C-N 3.32Å; I14-N16 PolarHBondContact O-N 2.92Å; N16-E19 PolarHBondContact O-N 3.45Å; N16-C20 PolarHBondContact O-N 2.98Å; N16-C20 PolarHBondContact O-SG 3.2Å; N16-S115 WeakPolarHBondContact ND2-CB 3.49Å; N16-S116 PolarHBondContact ND2-N 3.31Å; N16-S116 PolarHBondContact ND2-O 3.04Å; N16-L140 PolarHBondContact ND2-O 3.38Å; N16-F142 WeakPolarHBondContact OD1-CB 3.4Å; N16-F142 PolarHBondContact OD1-N 2.89Å; N16-L143 HydrophobicContact CB-CD1 3.98Å; N16-L143 HydrophobicContact CB-CD2 4.44Å; N16-L143 HydrophobicContact CB-CG 3.93Å |
| 17 | I | 98.4 | Very high | 96.8 | Very high | 0 Ų | 0 | 14.8 Ų | 14.8 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -62.4 | -46.2 | 170.7 | -68.6 | 168.1 | 0 | 0 | 0 | 110.2 | F3 A5 V7 S13 I14 Y15 E19 C20 I21 L27 L30 L66 I217 | F3-I17 HydrophobicContact CE2-CG1 4.43Å; F3-I17 HydrophobicContact CZ-CG2 4.24Å; A5-I17 HydrophobicContact CB-CD1 3.61Å; A5-I17 HydrophobicContact CB-CG1 3.57Å; V7-I17 HydrophobicContact CG1-CD1 3.87Å; S13-I17 WeakPolarHBondContact O-CG1 3.09Å; S13-I17 PolarHBondContact O-N 3.4Å; I14-I17 HydrophobicContact CD1-CD1 4.25Å; I14-I17 WeakPolarHBondContact O-CB 3.42Å; I14-I17 PolarHBondContact O-N 2.86Å; I14-I17 VanDerWaalsContact O-N 3.15Å; Y15-I17 VanDerWaalsContact C-N 3.29Å; Y15-I17 PolarHBondContact O-N 2.88Å; I17-E19 PolarHBondContact O-N 3.15Å; I17-C20 WeakPolarHBondContact O-CB 3.23Å; I17-C20 PolarHBondContact O-N 2.94Å; I17-I21 HydrophobicContact CG2-CD1 4.02Å; I17-I21 WeakPolarHBondContact O-CG1 3.32Å; I17-I21 PolarHBondContact O-N 3.04Å; I17-L27 HydrophobicContact CG2-CD2 3.93Å; I17-L30 HydrophobicContact CD1-CD2 4.12Å; I17-L66 HydrophobicContact CD1-CD1 4.43Å; I17-I217 HydrophobicContact CB-CD1 4.16Å; I17-I217 HydrophobicContact CG2-CD1 3.62Å |
| 18 | M | 98.3 | Very high | 96.9 | Very high | 0 Ų | 0 | 15.7 Ų | 15.7 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -61.4 | -43.8 | 177.9 | -59.7 | 171.8 | 76.7 | 0 | 0 | 111.2 | I14 Y15 C20 I21 V22 A158 I160 P216 I217 F266 F287 | I14-M18 PolarHBondContact O-N 3.24Å; Y15-M18 WeakPolarHBondContact O-CB 3.22Å; Y15-M18 PolarHBondContact O-N 2.87Å; Y15-M18 VanDerWaalsContact O-N 3.11Å; M18-C20 VanDerWaalsContact C-N 3.35Å; M18-C20 PolarHBondContact O-N 3.21Å; M18-I21 PolarHBondContact O-N 3.48Å; M18-I21 VanDerWaalsContact O-N 3.15Å; M18-V22 WeakPolarHBondContact O-CG2 3.49Å; M18-V22 PolarHBondContact O-N 3.31Å; M18-A158 HydrophobicContact CE-CB 4.17Å; M18-I160 HydrophobicContact SD-CD1 3.79Å; M18-I160 HydrophobicContact SD-CG1 3.88Å; M18-P216 HydrophobicContact CE-CB 4.13Å; M18-P216 HydrophobicContact CE-CG 3.89Å; M18-I217 HydrophobicContact CG-CD1 3.82Å; M18-I217 HydrophobicContact CG-CG1 4.1Å; M18-I217 HydrophobicContact CG-CG2 3.94Å; M18-F266 HydrophobicContact CB-CE1 4.41Å; M18-F266 HydrophobicContact CE-CD1 3.84Å; M18-F266 HydrophobicContact CE-CE1 3.55Å; M18-F266 HydrophobicContact CG-CE1 4.3Å; M18-F287 HydrophobicContact CB-CE1 3.81Å; M18-F287 HydrophobicContact CB-CZ 3.69Å; M18-F287 HydrophobicContact CE-CE2 3.91Å; M18-F287 HydrophobicContact CE-CZ 3.56Å; M18-F287 HydrophobicContact CG-CZ 4.48Å; M18-F287 HydrophobicContact SD-CZ 4.14Å |
| 19 | E | 97.5 | Very high | 97.1 | Very high | 0 Ų | 0 | 14.1 Ų | 14.1 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -58.7 | -43.1 | 173.2 | -78.1 | -93.4 | -156.3 | 0 | 0 | 112.1 | Y15 N16 I17 I21 V22 H23 F142 L143 R146 F287 R293 | Y15-E19 HydrophobicContact CD1-CG 4.33Å; Y15-E19 HydrophobicContact CE1-CG 3.89Å; Y15-E19 PolarHBondContact O-N 2.96Å; Y15-E19 PolarHBondContact OH-OE1 3.48Å; N16-E19 PolarHBondContact O-N 3.45Å; I17-E19 PolarHBondContact O-N 3.15Å; E19-I21 VanDerWaalsContact C-N 3.3Å; E19-I21 PolarHBondContact O-N 3.26Å; E19-V22 PolarHBondContact O-N 2.89Å; E19-H23 PolarHBondContact O-N 3.33Å; E19-H23 VanDerWaalsContact O-N 3.09Å; E19-H23 PolarHBondContact O-ND1 2.95Å; E19-H23 IonicContact OE2-CE1 3Å; E19-H23 PolarHBondContact OE2-CE1 3.04Å; E19-H23 VanDerWaalsContact OE2-CE1 3.25Å; E19-H23 IonicContact OE2-ND1 3.78Å; E19-F142 HydrophobicContact CB-CB 3.77Å; E19-F142 HydrophobicContact CB-CD2 4.25Å; E19-F142 HydrophobicContact CB-CG 4.05Å; E19-F142 HydrophobicContact CG-CB 4.28Å; E19-L143 HydrophobicContact CG-CD2 4.15Å; E19-R146 IonicContact OE1-NH1 2.58Å; E19-R146 PolarHBondContact OE1-NH1 2.89Å; E19-F287 HydrophobicContact CG-CD1 4.41Å; E19-F287 HydrophobicContact CG-CE1 4.27Å; E19-R293 IonicContact OE1-NH2 2.69Å; E19-R293 PolarHBondContact OE1-NH2 3.19Å; E19-R293 IonicContact OE2-CZ 3.47Å; E19-R293 IonicContact OE2-NH2 2.66Å; E19-R293 PolarHBondContact OE2-NH2 3.49Å |
| 20 | C | 97.9 | Very high | 97.4 | Very high | 0 Ų | 0 | 14.1 Ų | 14.1 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -59.1 | -42.2 | 174.9 | -68.8 | 0 | 0 | 0 | 0 | 111.7 | F3 N16 I17 M18 H23 G24 H25 S115 F142 | F3-C20 HydrophobicContact CD1-CB 4.23Å; F3-C20 HydrophobicContact CE1-CB 3.55Å; F3-C20 HydrophobicContact CE2-CB 3.96Å; F3-C20 HydrophobicContact CZ-CB 3.4Å; N16-C20 PolarHBondContact O-N 2.98Å; N16-C20 PolarHBondContact O-SG 3.2Å; I17-C20 WeakPolarHBondContact O-CB 3.23Å; I17-C20 PolarHBondContact O-N 2.94Å; M18-C20 VanDerWaalsContact C-N 3.35Å; M18-C20 PolarHBondContact O-N 3.21Å; C20-H23 CarbonylContact O-C 3.58Å; C20-H23 PolarHBondContact O-N 2.97Å; C20-G24 PolarHBondContact O-N 3.21Å; C20-H25 HydrophobicContact CB-CB 4.23Å; C20-H25 VanDerWaalsContact O-CB 3.23Å; C20-H25 WeakPolarHBondContact O-CB 3.33Å; C20-H25 PolarHBondContact O-N 3.42Å; C20-S115 VanDerWaalsContact SG-CB 3.57Å; C20-F142 HydrophobicContact CB-CE2 4.29Å |
| 21 | I | 97.5 | Very high | 97.5 | Very high | 25 Ų | 25 | 14.2 Ų | 14.2 | 13% | 0.128 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -66.8 | -44.5 | 178.8 | -64.7 | 164.5 | 0 | 0 | 0 | 110.9 | I17 M18 E19 H23 G24 H25 I217 F266 | I17-I21 HydrophobicContact CG2-CD1 4.02Å; I17-I21 WeakPolarHBondContact O-CG1 3.32Å; I17-I21 PolarHBondContact O-N 3.04Å; M18-I21 PolarHBondContact O-N 3.48Å; M18-I21 VanDerWaalsContact O-N 3.15Å; E19-I21 VanDerWaalsContact C-N 3.3Å; E19-I21 PolarHBondContact O-N 3.26Å; I21-H23 PolarHBondContact O-N 3.07Å; I21-G24 PolarHBondContact O-N 3.2Å; I21-H25 WeakPolarHBondContact CA-O 3.47Å; I21-I217 HydrophobicContact CD1-CG2 3.91Å; I21-F266 HydrophobicContact CB-CE2 4.27Å; I21-F266 HydrophobicContact CG2-CD2 3.93Å; I21-F266 HydrophobicContact CG2-CE2 3.58Å |
| 22 | V | 96.7 | Very high | 97.4 | Very high | 3 Ų | 3 | 14.4 Ų | 14.4 | 2% | 0.018 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -54 | -35.4 | 173.7 | 170.1 | 0 | 0 | 0 | 0 | 111.7 | M18 E19 G24 F266 L267 F287 | M18-V22 WeakPolarHBondContact O-CG2 3.49Å; M18-V22 PolarHBondContact O-N 3.31Å; E19-V22 PolarHBondContact O-N 2.89Å; V22-G24 PolarHBondContact O-N 3.08Å; V22-F266 HydrophobicContact CG2-CB 3.37Å; V22-F266 HydrophobicContact CG2-CD2 4.24Å; V22-F266 HydrophobicContact CG2-CG 3.85Å; V22-L267 HydrophobicContact CG1-CD2 4.02Å; V22-L267 HydrophobicContact CG1-CG 4.34Å; V22-F287 HydrophobicContact CG1-CB 4.43Å; V22-F287 HydrophobicContact CG2-CB 4.09Å; V22-F287 HydrophobicContact CG2-CD1 3.74Å; V22-F287 HydrophobicContact CG2-CD2 4.46Å; V22-F287 HydrophobicContact CG2-CE1 4.32Å; V22-F287 HydrophobicContact CG2-CG 3.82Å |
| 23 | H | 95.4 | Very high | 97.3 | Very high | 29 Ų | 29 | 13.6 Ų | 13.6 | 13% | 0.134 | 9% | 0.089 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.7 | 16.8 | 177.6 | -66.2 | 78.8 | 0 | 0 | 0 | 113.9 | E19 C20 I21 H25 F142 | E19-H23 PolarHBondContact O-N 3.33Å; E19-H23 VanDerWaalsContact O-N 3.09Å; E19-H23 PolarHBondContact O-ND1 2.95Å; E19-H23 IonicContact OE2-CE1 3Å; E19-H23 PolarHBondContact OE2-CE1 3.04Å; E19-H23 VanDerWaalsContact OE2-CE1 3.25Å; E19-H23 IonicContact OE2-ND1 3.78Å; C20-H23 CarbonylContact O-C 3.58Å; C20-H23 PolarHBondContact O-N 2.97Å; I21-H23 PolarHBondContact O-N 3.07Å; H23-H25 PolarHBondContact O-CE1 2.79Å; H23-H25 PolarHBondContact O-ND1 3.05Å; H23-F142 HydrophobicContact CB-CE1 4.01Å; H23-F142 HydrophobicContact CB-CZ 3.68Å; H23-F142 AromaticContact CD2-CE1 3.51Å; H23-F142 AromaticContact CE1-CD1 3.82Å; H23-F142 AromaticContact CE1-CE1 3.73Å; H23-F142 AromaticContact CG-CE1 3.42Å; H23-F142 VanDerWaalsContact CG-CE1 3.42Å; H23-F142 AromaticContact CG-CZ 3.63Å; H23-F142 AromaticContact ND1-CD1 3.9Å; H23-F142 AromaticContact ND1-CE1 3.55Å; H23-F142 AromaticContact ND1-CZ 3.94Å; H23-F142 AromaticContact NE2-CE1 3.71Å |
| 24 | G | 94.8 | Very high | 96.9 | Very high | 49 Ų | 49 | 14 Ų | 14 | 51% | 0.505 | 9% | 0.091 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 73.1 | 28.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | C20 I21 V22 | C20-G24 PolarHBondContact O-N 3.21Å; I21-G24 PolarHBondContact O-N 3.2Å; V22-G24 PolarHBondContact O-N 3.08Å |
| 25 | H | 96.8 | Very high | 96.2 | Very high | 27 Ų | 27 | 14.6 Ų | 14.6 | 13% | 0.125 | 10% | 0.095 | C | C | . | . | trans | -100 | 148.9 | 171.7 | -51.7 | -26.9 | 0 | 0 | 0 | 110.8 | M1 F3 C20 I21 H23 F142 | M1-H25 WeakPolarHBondContact CE-CE1 3.29Å; M1-H25 PolarHBondContact N-ND1 2.87Å; M1-H25 CarbonylContact O-C 3.59Å; M1-H25 WeakPolarHBondContact O-CA 3.38Å; M1-H25 WeakPolarHBondContact O-CB 3.46Å; F3-H25 HydrophobicContact CD1-CB 3.62Å; F3-H25 HydrophobicContact CE1-CB 3.87Å; C20-H25 HydrophobicContact CB-CB 4.23Å; C20-H25 VanDerWaalsContact O-CB 3.23Å; C20-H25 WeakPolarHBondContact O-CB 3.33Å; C20-H25 PolarHBondContact O-N 3.42Å; I21-H25 WeakPolarHBondContact CA-O 3.47Å; H23-H25 PolarHBondContact O-CE1 2.79Å; H23-H25 PolarHBondContact O-ND1 3.05Å; H25-F142 AromaticContact NE2-CZ 3.88Å | ||
| 26 | S | 97.8 | Very high | 95.2 | Very high | 69 Ų | 69 | 16.8 Ų | 16.8 | 48% | 0.483 | 11% | 0.11 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 120.1 | -176.6 | -52.9 | 0 | 0 | 0 | 0 | 109.5 | M1 K2 F3 | M1-S26 PolarHBondContact O-N 3.03Å; K2-S26 WeakPolarHBondContact CA-O 3.49Å; F3-S26 VanDerWaalsContact CD1-C 3.4Å; F3-S26 WeakPolarHBondContact CD1-O 3.36Å; F3-S26 VanDerWaalsContact CE1-C 3.43Å; F3-S26 PolarHBondContact N-O 3.3Å |
| 27 | L | 98.4 | Very high | 93.8 | Very high | 31 Ų | 31 | 25.2 Ų | 25.2 | 16% | 0.162 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 129.2 | 174 | -179.5 | 67.8 | 0 | 0 | 0 | 109 | F3 A5 I17 A29 L30 L66 V68 | F3-L27 HydrophobicContact CD2-CD1 4.07Å; F3-L27 HydrophobicContact CE1-CB 3.91Å; F3-L27 HydrophobicContact CE2-CB 4.33Å; F3-L27 HydrophobicContact CE2-CD1 3.49Å; F3-L27 VanDerWaalsContact CE2-CD1 3.49Å; F3-L27 HydrophobicContact CZ-CB 3.71Å; F3-L27 HydrophobicContact CZ-CD1 3.77Å; F3-L27 HydrophobicContact CZ-CG 4.34Å; A5-L27 HydrophobicContact CB-CD1 3.7Å; I17-L27 HydrophobicContact CG2-CD2 3.93Å; L27-A29 WeakPolarHBondContact CD1-O 3.29Å; L27-L30 HydrophobicContact CD1-CD2 4.11Å; L27-L30 HydrophobicContact CD2-CD2 4.09Å; L27-L66 HydrophobicContact CD2-CD1 4.37Å; L27-V68 HydrophobicContact CD2-CG1 4.18Å; L27-V68 HydrophobicContact CD2-CG2 3.98Å; L27-V68 HydrophobicContact CG-CG1 4.28Å; L27-V68 HydrophobicContact CG-CG2 4.44Å |
| 28 | V | 98.3 | Very high | 91.7 | Very high | 28 Ų | 28 | 28 Ų | 28 | 17% | 0.17 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | -23.6 | 178 | -62.7 | 0 | 0 | 0 | 0 | 114.5 | K2 F3 V4 P69 I108 V111 | K2-V28 HydrophobicContact CB-CG1 3.84Å; K2-V28 HydrophobicContact CD-CG1 3.98Å; K2-V28 HydrophobicContact CG-CG1 3.87Å; F3-V28 VanDerWaalsContact O-CG2 3.3Å; F3-V28 WeakPolarHBondContact O-CG2 3.5Å; F3-V28 PolarHBondContact O-N 3.45Å; V4-V28 HydrophobicContact CG2-CG2 3.75Å; V28-P69 WeakPolarHBondContact O-CD 3.3Å; V28-I108 HydrophobicContact CG2-CG2 4.33Å; V28-V111 HydrophobicContact CG2-CG2 3.5Å; V28-V111 VanDerWaalsContact CG2-CG2 3.5Å |
| 29 | A | 98.6 | Very high | 89.4 | Confident | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -163.2 | 162.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111 | V4 A5 L27 P69 Y71 I108 | V4-A29 WeakPolarHBondContact CA-O 3.34Å; V4-A29 HydrophobicContact CG1-CB 4.47Å; V4-A29 HydrophobicContact CG2-CB 3.92Å; A5-A29 PolarHBondContact N-O 2.69Å; L27-A29 WeakPolarHBondContact CD1-O 3.29Å; A29-P69 CarbonylContact C-O 3.59Å; A29-P69 WeakPolarHBondContact CA-O 3.46Å; A29-P69 HydrophobicContact CB-CB 4.36Å; A29-Y71 HydrophobicContact CB-CD2 3.81Å; A29-Y71 HydrophobicContact CB-CE2 3.72Å; A29-I108 HydrophobicContact CB-CD1 4.1Å |
| 30 | L | 98.6 | Very high | 86.9 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 145.6 | 168.4 | -56.4 | -175.4 | 0 | 0 | 0 | 110.3 | A5 V7 I17 L27 I62 L66 V68 P69 L70 Y71 | A5-L30 HydrophobicContact CB-CD2 3.92Å; V7-L30 HydrophobicContact CG1-CD1 4.49Å; V7-L30 HydrophobicContact CG1-CD2 3.82Å; V7-L30 HydrophobicContact CG2-CB 3.96Å; V7-L30 HydrophobicContact CG2-CD1 4.22Å; V7-L30 HydrophobicContact CG2-CG 4.47Å; I17-L30 HydrophobicContact CD1-CD2 4.12Å; L27-L30 HydrophobicContact CD1-CD2 4.11Å; L27-L30 HydrophobicContact CD2-CD2 4.09Å; L30-I62 HydrophobicContact CD1-CG2 4.21Å; L30-L66 HydrophobicContact CD1-CD1 3.85Å; L30-L66 HydrophobicContact CD2-CD1 4.09Å; L30-L66 HydrophobicContact CG-CD1 4.48Å; L30-V68 HydrophobicContact CD1-CG2 4.28Å; L30-V68 HydrophobicContact CD2-CG2 4.11Å; L30-V68 HydrophobicContact CG-CG2 3.72Å; L30-P69 PolarHBondContact N-O 2.99Å; L30-L70 HydrophobicContact CB-CD1 3.92Å; L30-Y71 PolarHBondContact O-N 3.32Å |
| 31 | V | 98.2 | Very high | 84.5 | Confident | 3 Ų | 3 | 46.2 Ų | 46.2 | 2% | 0.018 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 129.4 | 170 | 158.4 | 0 | 0 | 0 | 0 | 108.7 | V4 A5 L6 V7 Y71 L97 I100 L101 V104 | V4-V31 HydrophobicContact CG1-CB 3.92Å; V4-V31 HydrophobicContact CG1-CG2 3.39Å; A5-V31 PolarHBondContact O-N 3.18Å; L6-V31 WeakPolarHBondContact CA-O 3.38Å; L6-V31 HydrophobicContact CD2-CB 3.82Å; L6-V31 HydrophobicContact CD2-CG1 3.49Å; L6-V31 VanDerWaalsContact CD2-CG1 3.49Å; V7-V31 PolarHBondContact N-O 3.18Å; V31-Y71 VanDerWaalsContact CA-O 3.31Å; V31-Y71 WeakPolarHBondContact CA-O 3.35Å; V31-L97 HydrophobicContact CG1-CD1 4.33Å; V31-I100 HydrophobicContact CG1-CD1 4.15Å; V31-I100 HydrophobicContact CG1-CG2 3.71Å; V31-L101 HydrophobicContact CG2-CD2 4.21Å; V31-V104 HydrophobicContact CG2-CG2 3.66Å |
| 32 | N | 96 | Very high | 82.1 | Confident | 7 Ų | 7 | 52.2 Ų | 52.2 | 4% | 0.037 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 126.7 | 175.5 | 179.3 | 94.3 | 0 | 0 | 0 | 110.4 | V7 I59 L70 Y71 Q72 M73 | V7-N32 HydrophobicContact CG2-CB 4.21Å; V7-N32 PolarHBondContact O-OD1 3.05Å; N32-I59 HydrophobicContact CB-CG2 3.79Å; N32-I59 WeakPolarHBondContact OD1-CD1 3.27Å; N32-L70 HydrophobicContact CB-CD1 4.2Å; N32-Y71 PolarHBondContact N-O 3.27Å; N32-Q72 HydrophobicContact CB-CG 4.23Å; N32-Q72 PolarHBondContact ND2-NE2 3.15Å; N32-Q72 VanDerWaalsContact O-CA 3.31Å; N32-Q72 WeakPolarHBondContact O-CA 3.11Å; N32-Q72 WeakPolarHBondContact O-CG 3.41Å; N32-M73 PolarHBondContact O-N 2.7Å; N32-M73 VanDerWaalsContact O-N 3.14Å |
| 33 | L | 93.3 | Very high | 79.9 | Confident | 8 Ų | 8 | 55.6 Ų | 55.6 | 4% | 0.042 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 119.2 | 167.1 | -70.9 | 166.4 | 0 | 0 | 0 | 108.4 | Y51 M73 L75 D96 L97 I100 | L33-Y51 HydrophobicContact CB-CD1 4.11Å; L33-Y51 HydrophobicContact CB-CE1 4.38Å; L33-Y51 HydrophobicContact CB-CG 4.19Å; L33-Y51 HydrophobicContact CD1-CD1 4.01Å; L33-Y51 HydrophobicContact CD1-CD2 4.37Å; L33-Y51 HydrophobicContact CD1-CE1 3.42Å; L33-Y51 VanDerWaalsContact CD1-CE1 3.42Å; L33-Y51 HydrophobicContact CD1-CE2 3.8Å; L33-Y51 HydrophobicContact CD1-CG 4.45Å; L33-Y51 HydrophobicContact CG-CE1 4.44Å; L33-M73 WeakPolarHBondContact CA-O 3.35Å; L33-M73 HydrophobicContact CD2-CB 4.06Å; L33-M73 HydrophobicContact CD2-CE 3.78Å; L33-L75 HydrophobicContact CB-CD2 3.93Å; L33-L75 HydrophobicContact CB-CG 4.23Å; L33-L75 HydrophobicContact CD1-CD2 4.18Å; L33-L75 HydrophobicContact CD2-CD2 4.37Å; L33-L75 HydrophobicContact CG-CD2 4.39Å; L33-D96 HydrophobicContact CD1-CB 4.38Å; L33-D96 HydrophobicContact CD2-CB 4.04Å; L33-L97 HydrophobicContact CD1-CB 3.89Å; L33-L97 HydrophobicContact CD1-CD1 4.48Å; L33-I100 HydrophobicContact CD2-CG2 4.4Å |
| 34 | C | 88.6 | Confident | 78 | Confident | 14 Ų | 14 | 55.1 Ų | 55.1 | 10% | 0.095 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 157.8 | -177.5 | 61.9 | 0 | 0 | 0 | 0 | 111.3 | Q72 M73 E74 L75 | C34-Q72 HydrophobicContact CB-CG 4.31Å; C34-M73 PolarHBondContact N-O 3.25Å; C34-E74 CarbonylContact O-C 3.58Å; C34-E74 VanDerWaalsContact O-CA 3.32Å; C34-E74 WeakPolarHBondContact O-CA 3.48Å; C34-L75 PolarHBondContact O-N 3.4Å |
| 35 | P | 82.2 | Confident | 76.2 | Confident | 13 Ų | 13 | 55 Ų | 55 | 8% | 0.084 | 31% | 0.307 | C | S | . | . | trans | -60.1 | 144.6 | 170 | 25.5 | -34.2 | 0 | 0 | 0 | 110.9 | I46 | P35-I46 HydrophobicContact CB-CD1 3.36Å; P35-I46 HydrophobicContact CB-CG1 3.85Å | ||
| 36 | P | 78.9 | Confident | 74.7 | Confident | 47 Ų | 47 | 56.9 Ų | 56.9 | 31% | 0.305 | 32% | 0.317 | S | S | . | . | trans | -53.2 | 141.9 | 167.9 | 14 | -30.1 | 0 | 0 | 0 | 112.2 | C38 I46 L75 | P36-C38 PolarHBondContact O-N 3.25Å; P36-C38 VanDerWaalsContact O-N 3.14Å; P36-I46 HydrophobicContact CG-CD1 3.82Å; P36-L75 WeakPolarHBondContact CD-O 3.37Å | ||
| 37 | K | 68.7 | Low | 73 | Confident | 177 Ų | 177 | 61 Ų | 61 | 77% | 0.77 | 33% | 0.333 | S | S | * | . | trans | -71.7 | 106.9 | 174.8 | -67.1 | 174.9 | -174.2 | 179.3 | 0 | 109.2 | E74 | K37-E74 WeakPolarHBondContact CG-OE1 3.21Š| ||
| 38 | C | 53.5 | Low | 71.7 | Confident | 59 Ų | 59 | 60.8 Ų | 60.8 | 40% | 0.399 | 34% | 0.335 | S | S | . | . | trans | -66.1 | 142.3 | 167.9 | -68.4 | 0 | 0 | 0 | 0 | 109.8 | P36 D40 T43 | P36-C38 PolarHBondContact O-N 3.25Å; P36-C38 VanDerWaalsContact O-N 3.14Å; C38-D40 CarbonylContact C-O 3.59Å; C38-D40 WeakPolarHBondContact CB-O 3.35Å; C38-D40 CarbonylContact O-C 3.55Å; C38-D40 PolarHBondContact O-N 3Å; C38-T43 PolarHBondContact SG-OG1 3.43Å | ||
| 39 | S | 48.8 | Very low | 70.3 | Confident | 119 Ų | 119 | 65.8 Ų | 65.8 | 83% | 0.832 | 35% | 0.351 | S | S | * | . | S | Bend | trans | -57.8 | -30.2 | 176.7 | 48.3 | 0 | 0 | 0 | 0 | 112.5 | ||
| 40 | D | 45.2 | Very low | 69 | Low | 111 Ų | 111 | 66.7 Ų | 66.7 | 59% | 0.594 | 36% | 0.356 | S | S | * | . | S | Bend | trans | -96.5 | 122.5 | 166.8 | -54.9 | -41.3 | 0 | 0 | 0 | 106.2 | C38 E42 | C38-D40 CarbonylContact C-O 3.59Å; C38-D40 WeakPolarHBondContact CB-O 3.35Å; C38-D40 CarbonylContact O-C 3.55Å; C38-D40 PolarHBondContact O-N 3Å; D40-E42 HydrophobicContact CB-CG 4.32Å; D40-E42 PolarHBondContact O-N 3.12Å |
| 41 | N | 48.8 | Very low | 68 | Low | 151 Ų | 151 | 68.2 Ų | 68.2 | 81% | 0.807 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | 27.4 | 179 | -73.6 | -39.7 | 0 | 0 | 0 | 113.9 | R245 | N41-R245 PolarHBondContact O-NH2 2.81Å; N41-R245 VanDerWaalsContact O-NH2 3.12Å |
| 42 | E | 47.6 | Very low | 67.2 | Low | 151 Ų | 151 | 69.5 Ų | 69.5 | 71% | 0.706 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.3 | -32.8 | -166.7 | -68.2 | -160.9 | 158 | 0 | 0 | 114.3 | D40 | D40-E42 HydrophobicContact CB-CG 4.32Å; D40-E42 PolarHBondContact O-N 3.12Å |
| 43 | T | 48.5 | Very low | 66.4 | Low | 75 Ų | 75 | 69.7 Ų | 69.7 | 46% | 0.46 | 37% | 0.369 | S | S | . | . | trans | -110.2 | 88.6 | -177.5 | 44.8 | 0 | 0 | 0 | 0 | 112.5 | C38 | C38-T43 PolarHBondContact SG-OG1 3.43Š| ||
| 44 | S | 56 | Low | 66 | Low | 18 Ų | 18 | 69.5 Ų | 69.5 | 13% | 0.126 | 37% | 0.369 | C | S | . | . | trans | -75.6 | -8.9 | 166.3 | -57.3 | 0 | 0 | 0 | 0 | 112.5 | S53 | S44-S53 CarbonylContact O-C 3.52Å; S44-S53 VanDerWaalsContact O-CB 3.27Å; S44-S53 WeakPolarHBondContact O-CB 3.42Å | ||
| 45 | E | 58.2 | Low | 65.9 | Low | 48 Ų | 48 | 68.9 Ų | 68.9 | 22% | 0.224 | 37% | 0.365 | C | S | . | . | trans | -113 | 132.7 | -173.1 | -170.4 | 169.2 | -172.7 | 0 | 0 | 111.6 | K166 H233 | E45-K166 VanDerWaalsContact OE1-CE 3.3Å; E45-K166 WeakPolarHBondContact OE1-CE 3.42Å; E45-K166 IonicContact OE1-NZ 3.49Å; E45-K166 PolarHBondContact OE1-NZ 3.13Å; E45-H233 IonicContact OE2-CD2 3.19Å; E45-H233 PolarHBondContact OE2-CD2 3.07Å; E45-H233 IonicContact OE2-NE2 3.82Å; E45-H233 PolarHBondContact OE2-NE2 2.97Å; E45-H233 VanDerWaalsContact OE2-NE2 3.16Å | ||
| 46 | I | 64 | Low | 66.2 | Low | 65 Ų | 65 | 69.8 Ų | 69.8 | 33% | 0.333 | 37% | 0.371 | S | S | . | . | trans | -131.7 | 143.2 | 175 | -59.2 | 179.5 | 0 | 0 | 0 | 108 | P35 P36 S48 | P35-I46 HydrophobicContact CB-CD1 3.36Å; P35-I46 HydrophobicContact CB-CG1 3.85Å; P36-I46 HydrophobicContact CG-CD1 3.82Å; I46-S48 VanDerWaalsContact C-N 3.27Å; I46-S48 PolarHBondContact O-N 3.14Å | ||
| 47 | D | 63.4 | Low | 66.6 | Low | 156 Ų | 156 | 70.2 Ų | 70.2 | 83% | 0.834 | 37% | 0.369 | S | S | * | . | trans | -68.9 | 81.5 | 170.6 | -71.3 | -23.5 | 0 | 0 | 0 | 110.8 | ||||
| 48 | S | 70.6 | Confident | 67.9 | Low | 27 Ų | 27 | 61.8 Ų | 61.8 | 19% | 0.189 | 33% | 0.332 | C | S | . | . | trans | -112 | 129.7 | 175.6 | 158.2 | 0 | 0 | 0 | 0 | 109.3 | I46 M50 Y51 | I46-S48 VanDerWaalsContact C-N 3.27Å; I46-S48 PolarHBondContact O-N 3.14Å; S48-M50 VanDerWaalsContact C-N 3.33Å; S48-M50 PolarHBondContact OG-N 3.47Å; S48-Y51 WeakPolarHBondContact CB-O 3.2Å; S48-Y51 WeakPolarHBondContact OG-CA 3.23Å; S48-Y51 WeakPolarHBondContact OG-CB 3.36Å; S48-Y51 PolarHBondContact OG-N 3.05Å; S48-Y51 PolarHBondContact OG-O 2.97Å | ||
| 49 | Y | 68.9 | Low | 69.9 | Low | 132 Ų | 132 | 59 Ų | 59 | 52% | 0.518 | 31% | 0.313 | S | S | . | . | S | Bend | trans | -82.5 | -16.5 | 177.8 | -74.1 | -96.1 | 0 | 0 | 0 | 112.2 | ||
| 50 | M | 70.3 | Confident | 72.2 | Confident | 19 Ų | 19 | 54.6 Ų | 54.6 | 9% | 0.094 | 29% | 0.287 | C | S | . | . | S | Bend | trans | -107 | -31.4 | -172.8 | -78 | -62.8 | -64.5 | 0 | 0 | 114.1 | S48 E93 V94 Y123 Q124 R127 V128 | S48-M50 VanDerWaalsContact C-N 3.33Å; S48-M50 PolarHBondContact OG-N 3.47Å; M50-E93 HydrophobicContact CG-CG 4.34Å; M50-E93 WeakPolarHBondContact CG-OE1 3.49Å; M50-V94 HydrophobicContact CG-CG2 4.31Å; M50-Y123 HydrophobicContact CG-CE1 4Å; M50-Y123 HydrophobicContact SD-CD1 3.93Å; M50-Y123 HydrophobicContact SD-CE1 3.68Å; M50-Q124 HydrophobicContact CE-CB 4.39Å; M50-Q124 HydrophobicContact CE-CG 4.43Å; M50-Q124 HydrophobicContact SD-CB 4.18Å; M50-Q124 HydrophobicContact SD-CG 3.81Å; M50-R127 HydrophobicContact CE-CB 3.71Å; M50-R127 HydrophobicContact SD-CB 3.99Å; M50-R127 WeakPolarHBondContact SD-CD 3.43Å; M50-R127 HydrophobicContact SD-CG 4.2Å; M50-V128 HydrophobicContact CE-CG2 4.37Å |
| 51 | Y | 79.4 | Confident | 74.7 | Confident | 32 Ų | 32 | 52.9 Ų | 52.9 | 13% | 0.125 | 27% | 0.273 | C | S | . | . | trans | -130.7 | 127.9 | -163.2 | -47.7 | -66.8 | 0 | 0 | 0 | 111.8 | L33 S48 L75 E93 L97 | L33-Y51 HydrophobicContact CB-CD1 4.11Å; L33-Y51 HydrophobicContact CB-CE1 4.38Å; L33-Y51 HydrophobicContact CB-CG 4.19Å; L33-Y51 HydrophobicContact CD1-CD1 4.01Å; L33-Y51 HydrophobicContact CD1-CD2 4.37Å; L33-Y51 HydrophobicContact CD1-CE1 3.42Å; L33-Y51 VanDerWaalsContact CD1-CE1 3.42Å; L33-Y51 HydrophobicContact CD1-CE2 3.8Å; L33-Y51 HydrophobicContact CD1-CG 4.45Å; L33-Y51 HydrophobicContact CG-CE1 4.44Å; S48-Y51 WeakPolarHBondContact CB-O 3.2Å; S48-Y51 WeakPolarHBondContact OG-CA 3.23Å; S48-Y51 WeakPolarHBondContact OG-CB 3.36Å; S48-Y51 PolarHBondContact OG-N 3.05Å; S48-Y51 PolarHBondContact OG-O 2.97Å; Y51-L75 HydrophobicContact CD2-CD1 3.9Å; Y51-L75 HydrophobicContact CD2-CD2 3.56Å; Y51-L75 HydrophobicContact CD2-CG 4.33Å; Y51-L75 HydrophobicContact CE2-CD2 3.68Å; Y51-L75 HydrophobicContact CG-CD1 4.46Å; Y51-L75 HydrophobicContact CG-CD2 4.43Å; Y51-E93 HydrophobicContact CE2-CB 4.16Å; Y51-E93 HydrophobicContact CE2-CG 4.1Å; Y51-L97 WeakPolarHBondContact OH-CB 3.31Å | ||
| 52 | Q | 79.5 | Confident | 77 | Confident | 31 Ų | 31 | 45.7 Ų | 45.7 | 15% | 0.145 | 23% | 0.234 | C | C | . | . | trans | -68.1 | 132.8 | 171.1 | -173.9 | -175.5 | -26.9 | 0 | 0 | 109.9 | S8 V54 E209 T210 | S8-Q52 PolarHBondContact OG-OE1 2.93Å; Q52-V54 PolarHBondContact NE2-O 2.74Å; Q52-E209 VanDerWaalsContact CD-OE2 3.26Å; Q52-E209 HydrophobicContact CG-CG 4.24Å; Q52-E209 PolarHBondContact OE1-OE2 3.5Å; Q52-E209 VanDerWaalsContact OE1-OE2 3.14Å; Q52-T210 PolarHBondContact NE2-O 3.47Å | ||
| 53 | S | 79.7 | Confident | 79.4 | Confident | 11 Ų | 11 | 39 Ų | 39 | 8% | 0.077 | 20% | 0.204 | C | C | . | . | trans | -102.6 | -35.6 | -178 | 52.8 | 0 | 0 | 0 | 0 | 112.6 | S44 | S44-S53 CarbonylContact O-C 3.52Å; S44-S53 VanDerWaalsContact O-CB 3.27Å; S44-S53 WeakPolarHBondContact O-CB 3.42Å | ||
| 54 | V | 85.4 | Confident | 81.8 | Confident | 4 Ų | 4 | 40 Ų | 40 | 2% | 0.024 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.6 | 136.6 | 177.8 | -178.6 | 0 | 0 | 0 | 0 | 111.4 | Q52 I165 K166 Y243 | Q52-V54 PolarHBondContact NE2-O 2.74Å; V54-I165 HydrophobicContact CB-CD1 4.42Å; V54-I165 HydrophobicContact CG1-CB 4.47Å; V54-I165 HydrophobicContact CG1-CD1 3.77Å; V54-I165 HydrophobicContact CG1-CG1 3.98Å; V54-K166 HydrophobicContact CG1-CB 4.43Å; V54-K166 HydrophobicContact CG2-CD 4.08Å; V54-Y243 HydrophobicContact CG1-CD2 3.86Å; V54-Y243 HydrophobicContact CG1-CG 4.15Å; V54-Y243 HydrophobicContact CG2-CD2 4.3Å; V54-Y243 HydrophobicContact CG2-CG 4.21Å |
| 55 | G | 86.6 | Confident | 83.8 | Confident | 1 Ų | 1 | 39.1 Ų | 39.1 | 1% | 0.01 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 88 | 5.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | E57 A58 | G55-E57 VanDerWaalsContact C-OE2 3.31Å; G55-E57 WeakPolarHBondContact CA-OE2 3.46Å; G55-E57 PolarHBondContact N-OE2 3.49Å; G55-E57 PolarHBondContact O-N 2.89Å; G55-A58 PolarHBondContact O-N 3.02Å |
| 56 | S | 87.5 | Confident | 85.7 | Confident | 31 Ų | 31 | 37.7 Ų | 37.7 | 22% | 0.217 | 19% | 0.194 | C | C | . | . | G | 310 helix | trans | -55.3 | -24.7 | 177 | 65.1 | 0 | 0 | 0 | 0 | 113.4 | A58 I59 | S56-A58 PolarHBondContact O-N 3.18Å; S56-I59 WeakPolarHBondContact O-CG1 3.35Å; S56-I59 PolarHBondContact O-N 3.46Å |
| 57 | E | 89.2 | Confident | 87.3 | Confident | 56 Ų | 56 | 41.2 Ų | 41.2 | 26% | 0.262 | 21% | 0.209 | S | C | . | . | G | 310 helix | trans | -62 | -28.4 | 176.2 | -56.6 | 88.8 | 163.1 | 0 | 0 | 113 | G55 Y61 | G55-E57 VanDerWaalsContact C-OE2 3.31Å; G55-E57 WeakPolarHBondContact CA-OE2 3.46Å; G55-E57 PolarHBondContact N-OE2 3.49Å; G55-E57 PolarHBondContact O-N 2.89Å; E57-Y61 WeakPolarHBondContact O-CD2 3.34Å |
| 58 | A | 94.7 | Very high | 88.9 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 18% | 0.177 | C | C | . | . | G | 310 helix | trans | -87.1 | -15.1 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | G55 S56 G60 Y61 I62 V211 L246 L249 | G55-A58 PolarHBondContact O-N 3.02Å; S56-A58 PolarHBondContact O-N 3.18Å; A58-G60 VanDerWaalsContact C-N 3.33Å; A58-G60 PolarHBondContact O-N 2.78Å; A58-Y61 WeakPolarHBondContact O-CA 3.46Å; A58-Y61 WeakPolarHBondContact O-CB 3.5Å; A58-Y61 PolarHBondContact O-N 3.01Å; A58-I62 WeakPolarHBondContact O-CG1 3.44Å; A58-I62 PolarHBondContact O-N 2.93Å; A58-V211 HydrophobicContact CB-CG2 3.44Å; A58-V211 VanDerWaalsContact CB-CG2 3.44Å; A58-L246 HydrophobicContact CB-CD1 4.26Å; A58-L249 HydrophobicContact CB-CD1 3.97Å |
| 59 | I | 95.7 | Very high | 90.3 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -60.8 | -41.3 | -172.3 | -59.4 | -65 | 0 | 0 | 0 | 112.2 | V7 S8 N32 S56 Y61 I62 S63 L70 | V7-I59 HydrophobicContact CG2-CG2 4.41Å; S8-I59 VanDerWaalsContact C-CD1 3.41Å; S8-I59 WeakPolarHBondContact O-CD1 3.27Å; N32-I59 HydrophobicContact CB-CG2 3.79Å; N32-I59 WeakPolarHBondContact OD1-CD1 3.27Å; S56-I59 WeakPolarHBondContact O-CG1 3.35Å; S56-I59 PolarHBondContact O-N 3.46Å; I59-Y61 VanDerWaalsContact C-N 3.28Å; I59-Y61 PolarHBondContact O-N 3.15Å; I59-I62 PolarHBondContact O-N 2.93Å; I59-S63 PolarHBondContact O-N 2.78Å; I59-L70 HydrophobicContact CG2-CD1 3.76Å; I59-L70 HydrophobicContact CG2-CD2 3.88Å |
| 60 | G | 96.3 | Very high | 91.6 | Very high | 27 Ų | 27 | 33.1 Ų | 33.1 | 28% | 0.278 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -62 | -37.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | A58 S63 N64 | A58-G60 VanDerWaalsContact C-N 3.33Å; A58-G60 PolarHBondContact O-N 2.78Å; G60-S63 PolarHBondContact O-N 3.38Å; G60-N64 VanDerWaalsContact O-CG 3.27Å; G60-N64 PolarHBondContact O-N 3.19Å; G60-N64 PolarHBondContact O-ND2 2.73Å |
| 61 | Y | 98 | Very high | 93 | Very high | 76 Ų | 76 | 33 Ų | 33 | 30% | 0.298 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -69.2 | -39.1 | 176 | -67.5 | -94.6 | 0 | 0 | 0 | 111.7 | E57 A58 I59 N64 A65 L249 L251 | E57-Y61 WeakPolarHBondContact O-CD2 3.34Å; A58-Y61 WeakPolarHBondContact O-CA 3.46Å; A58-Y61 WeakPolarHBondContact O-CB 3.5Å; A58-Y61 PolarHBondContact O-N 3.01Å; I59-Y61 VanDerWaalsContact C-N 3.28Å; I59-Y61 PolarHBondContact O-N 3.15Å; Y61-N64 PolarHBondContact O-N 3.4Å; Y61-A65 VanDerWaalsContact O-CB 3.29Å; Y61-A65 WeakPolarHBondContact O-CB 3.44Å; Y61-A65 PolarHBondContact O-N 2.95Å; Y61-L249 HydrophobicContact CD1-CB 3.9Å; Y61-L249 HydrophobicContact CD2-CB 3.98Å; Y61-L249 HydrophobicContact CD2-CD1 3.74Å; Y61-L249 VanDerWaalsContact CE1-C 3.49Å; Y61-L249 HydrophobicContact CE1-CB 3.61Å; Y61-L249 WeakPolarHBondContact CE1-O 3.38Å; Y61-L249 HydrophobicContact CE2-CB 3.7Å; Y61-L249 HydrophobicContact CE2-CD1 3.94Å; Y61-L249 HydrophobicContact CE2-CG 4.37Å; Y61-L249 HydrophobicContact CG-CB 4.08Å; Y61-L249 HydrophobicContact CG-CD1 4.26Å; Y61-L249 VanDerWaalsContact CZ-CB 3.49Å; Y61-L249 PolarHBondContact OH-O 3.18Å; Y61-L251 HydrophobicContact CD1-CD2 4.13Å; Y61-L251 HydrophobicContact CD1-CG 3.98Å |
| 62 | I | 98 | Very high | 93.7 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -63.4 | -43.3 | 174.9 | -69.6 | 173.5 | 0 | 0 | 0 | 111.1 | I14 L30 A58 I59 N64 A65 L66 V211 F218 I222 | I14-I62 HydrophobicContact CD1-CG2 3.9Å; L30-I62 HydrophobicContact CD1-CG2 4.21Å; A58-I62 WeakPolarHBondContact O-CG1 3.44Å; A58-I62 PolarHBondContact O-N 2.93Å; I59-I62 PolarHBondContact O-N 2.93Å; I62-N64 PolarHBondContact O-N 3.14Å; I62-A65 PolarHBondContact O-N 3.18Å; I62-L66 HydrophobicContact CG2-CD1 3.91Å; I62-L66 WeakPolarHBondContact O-CB 3.36Å; I62-L66 WeakPolarHBondContact O-CG 3.36Å; I62-L66 PolarHBondContact O-N 3.01Å; I62-V211 HydrophobicContact CD1-CG2 4.31Å; I62-F218 HydrophobicContact CB-CZ 4.43Å; I62-F218 HydrophobicContact CG1-CE2 4.49Å; I62-F218 HydrophobicContact CG1-CZ 4.15Å; I62-F218 HydrophobicContact CG2-CE1 4.25Å; I62-F218 HydrophobicContact CG2-CZ 3.94Å; I62-I222 HydrophobicContact CG1-CD1 3.57Å |
| 63 | S | 98.2 | Very high | 94.4 | Very high | 9 Ų | 9 | 34.8 Ų | 34.8 | 6% | 0.063 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -59.4 | -45.8 | 174 | 165.9 | 0 | 0 | 0 | 0 | 112.2 | I59 G60 L66 E67 V68 L70 | I59-S63 PolarHBondContact O-N 2.78Å; G60-S63 PolarHBondContact O-N 3.38Å; S63-L66 CarbonylContact O-C 3.54Å; S63-L66 PolarHBondContact O-N 3.39Å; S63-E67 PolarHBondContact O-N 2.93Å; S63-V68 PolarHBondContact O-N 2.68Å; S63-V68 PolarHBondContact OG-O 3.21Å; S63-L70 WeakPolarHBondContact OG-CB 3.24Å |
| 64 | N | 98.3 | Very high | 94.9 | Very high | 97 Ų | 97 | 37.7 Ų | 37.7 | 52% | 0.519 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -65.9 | -38.8 | 177.1 | -70.6 | -25.5 | 0 | 0 | 0 | 112.1 | G60 Y61 I62 L66 E67 L251 | G60-N64 VanDerWaalsContact O-CG 3.27Å; G60-N64 PolarHBondContact O-N 3.19Å; G60-N64 PolarHBondContact O-ND2 2.73Å; Y61-N64 PolarHBondContact O-N 3.4Å; I62-N64 PolarHBondContact O-N 3.14Å; N64-L66 VanDerWaalsContact C-N 3.32Å; N64-L66 PolarHBondContact O-N 2.83Å; N64-E67 WeakPolarHBondContact O-CG 3.43Å; N64-E67 PolarHBondContact O-N 3.47Å; N64-L251 HydrophobicContact CB-CD1 3.44Å; N64-L251 VanDerWaalsContact CB-CD1 3.44Å |
| 65 | A | 98.3 | Very high | 95 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -64.5 | -36 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y61 I62 E67 F218 N219 S220 L251 | Y61-A65 VanDerWaalsContact O-CB 3.29Å; Y61-A65 WeakPolarHBondContact O-CB 3.44Å; Y61-A65 PolarHBondContact O-N 2.95Å; I62-A65 PolarHBondContact O-N 3.18Å; A65-E67 VanDerWaalsContact C-N 3.35Å; A65-F218 HydrophobicContact CB-CB 4.07Å; A65-F218 HydrophobicContact CB-CD1 4.16Å; A65-F218 HydrophobicContact CB-CD2 3.78Å; A65-F218 HydrophobicContact CB-CE2 4.26Å; A65-F218 HydrophobicContact CB-CG 3.74Å; A65-N219 PolarHBondContact O-N 2.83Å; A65-N219 PolarHBondContact O-ND2 3.07Å; A65-S220 VanDerWaalsContact CB-O 3.25Å; A65-S220 WeakPolarHBondContact CB-O 3.43Å; A65-L251 HydrophobicContact CB-CD2 4.27Å |
| 66 | L | 97.9 | Very high | 95.1 | Very high | 17 Ų | 17 | 47.2 Ų | 47.2 | 9% | 0.089 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -81.6 | -12.2 | 174.9 | -72.9 | 168 | 0 | 0 | 0 | 113.8 | I17 L27 L30 I62 S63 N64 V68 I217 F218 | I17-L66 HydrophobicContact CD1-CD1 4.43Å; L27-L66 HydrophobicContact CD2-CD1 4.37Å; L30-L66 HydrophobicContact CD1-CD1 3.85Å; L30-L66 HydrophobicContact CD2-CD1 4.09Å; L30-L66 HydrophobicContact CG-CD1 4.48Å; I62-L66 HydrophobicContact CG2-CD1 3.91Å; I62-L66 WeakPolarHBondContact O-CB 3.36Å; I62-L66 WeakPolarHBondContact O-CG 3.36Å; I62-L66 PolarHBondContact O-N 3.01Å; S63-L66 CarbonylContact O-C 3.54Å; S63-L66 PolarHBondContact O-N 3.39Å; N64-L66 VanDerWaalsContact C-N 3.32Å; N64-L66 PolarHBondContact O-N 2.83Å; L66-V68 VanDerWaalsContact C-N 3.27Å; L66-V68 HydrophobicContact CB-CG2 3.86Å; L66-V68 PolarHBondContact O-N 3.39Å; L66-I217 HydrophobicContact CD2-CB 3.99Å; L66-I217 HydrophobicContact CD2-CD1 3.51Å; L66-I217 HydrophobicContact CD2-CG1 3.68Å; L66-F218 HydrophobicContact CD1-CE1 4.02Å; L66-F218 HydrophobicContact CD2-CD1 3.62Å; L66-F218 HydrophobicContact CD2-CE1 3.77Å; L66-F218 HydrophobicContact CG-CD1 3.74Å; L66-F218 HydrophobicContact CG-CE1 3.63Å |
| 67 | E | 97.4 | Very high | 95.1 | Very high | 139 Ų | 139 | 48.9 Ų | 48.9 | 65% | 0.65 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53.8 | 39.6 | -176.1 | -61 | -177.9 | 167.8 | 0 | 0 | 113.5 | S63 N64 A65 N219 | S63-E67 PolarHBondContact O-N 2.93Å; N64-E67 WeakPolarHBondContact O-CG 3.43Å; N64-E67 PolarHBondContact O-N 3.47Å; A65-E67 VanDerWaalsContact C-N 3.35Å; E67-N219 HydrophobicContact CG-CB 4.32Å; E67-N219 WeakPolarHBondContact CG-ND2 3.43Å; E67-N219 PolarHBondContact OE2-ND2 2.89Å |
| 68 | V | 98 | Very high | 94.9 | Very high | 25 Ų | 25 | 50.5 Ų | 50.5 | 15% | 0.152 | 25% | 0.25 | C | C | . | . | S | Bend | trans | -125.1 | 149.4 | 175.4 | -64.6 | 0 | 0 | 0 | 0 | 111.3 | L27 L30 S63 L66 | L27-V68 HydrophobicContact CD2-CG1 4.18Å; L27-V68 HydrophobicContact CD2-CG2 3.98Å; L27-V68 HydrophobicContact CG-CG1 4.28Å; L27-V68 HydrophobicContact CG-CG2 4.44Å; L30-V68 HydrophobicContact CD1-CG2 4.28Å; L30-V68 HydrophobicContact CD2-CG2 4.11Å; L30-V68 HydrophobicContact CG-CG2 3.72Å; S63-V68 PolarHBondContact O-N 2.68Å; S63-V68 PolarHBondContact OG-O 3.21Å; L66-V68 VanDerWaalsContact C-N 3.27Å; L66-V68 HydrophobicContact CB-CG2 3.86Å; L66-V68 PolarHBondContact O-N 3.39Å |
| 69 | P | 98.1 | Very high | 94.3 | Very high | 70 Ų | 70 | 51.1 Ų | 51.1 | 46% | 0.455 | 25% | 0.254 | S | S | . | . | trans | -54.6 | 143 | 176.2 | -25.6 | 33.7 | 0 | 0 | 0 | 113.4 | V28 A29 L30 Y71 | V28-P69 WeakPolarHBondContact O-CD 3.3Å; A29-P69 CarbonylContact C-O 3.59Å; A29-P69 WeakPolarHBondContact CA-O 3.46Å; A29-P69 HydrophobicContact CB-CB 4.36Å; L30-P69 PolarHBondContact N-O 2.99Å; P69-Y71 HydrophobicContact CB-CE2 4.13Å | ||
| 70 | L | 98.2 | Very high | 93.5 | Very high | 51 Ų | 51 | 56 Ų | 56 | 27% | 0.267 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 120.5 | 173.1 | 174.9 | 62.8 | 0 | 0 | 0 | 111 | L30 N32 I59 S63 Q72 | L30-L70 HydrophobicContact CB-CD1 3.92Å; N32-L70 HydrophobicContact CB-CD1 4.2Å; I59-L70 HydrophobicContact CG2-CD1 3.76Å; I59-L70 HydrophobicContact CG2-CD2 3.88Å; S63-L70 WeakPolarHBondContact OG-CB 3.24Å; L70-Q72 HydrophobicContact CD1-CB 4.42Å; L70-Q72 HydrophobicContact CD2-CB 4.31Å; L70-Q72 HydrophobicContact CG-CB 4.11Å |
| 71 | Y | 97.9 | Very high | 92.7 | Very high | 15 Ų | 15 | 55.4 Ų | 55.4 | 6% | 0.059 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 102.1 | 166.4 | -67.1 | -96 | 0 | 0 | 0 | 108.2 | A29 L30 V31 N32 P69 I100 R103 V104 E107 I108 | A29-Y71 HydrophobicContact CB-CD2 3.81Å; A29-Y71 HydrophobicContact CB-CE2 3.72Å; L30-Y71 PolarHBondContact O-N 3.32Å; V31-Y71 VanDerWaalsContact CA-O 3.31Å; V31-Y71 WeakPolarHBondContact CA-O 3.35Å; N32-Y71 PolarHBondContact N-O 3.27Å; P69-Y71 HydrophobicContact CB-CE2 4.13Å; Y71-I100 VanDerWaalsContact O-CD1 3.24Å; Y71-I100 WeakPolarHBondContact O-CD1 3.27Å; Y71-R103 HydrophobicContact CD1-CG 4.38Å; Y71-R103 HydrophobicContact CE1-CG 4.4Å; Y71-V104 HydrophobicContact CD1-CG2 3.72Å; Y71-V104 HydrophobicContact CD2-CG2 3.7Å; Y71-V104 HydrophobicContact CE1-CG2 4.15Å; Y71-V104 HydrophobicContact CE2-CG2 4.12Å; Y71-V104 HydrophobicContact CG-CG2 3.49Å; Y71-V104 VanDerWaalsContact CG-CG2 3.49Å; Y71-E107 WeakPolarHBondContact CE1-OE2 3.41Å; Y71-E107 VanDerWaalsContact CZ-OE2 3.31Å; Y71-E107 WeakPolarHBondContact OH-CB 3.28Å; Y71-E107 PolarHBondContact OH-OE2 3Å; Y71-I108 HydrophobicContact CE2-CD1 4.03Å |
| 72 | Q | 95.1 | Very high | 91.6 | Very high | 75 Ų | 75 | 59.9 Ų | 59.9 | 35% | 0.35 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 136.5 | 176.9 | -161.2 | 171.2 | 41 | 0 | 0 | 110.3 | N32 C34 L70 | N32-Q72 HydrophobicContact CB-CG 4.23Å; N32-Q72 PolarHBondContact ND2-NE2 3.15Å; N32-Q72 VanDerWaalsContact O-CA 3.31Å; N32-Q72 WeakPolarHBondContact O-CA 3.11Å; N32-Q72 WeakPolarHBondContact O-CG 3.41Å; C34-Q72 HydrophobicContact CB-CG 4.31Å; L70-Q72 HydrophobicContact CD1-CB 4.42Å; L70-Q72 HydrophobicContact CD2-CB 4.31Å; L70-Q72 HydrophobicContact CG-CB 4.11Å |
| 73 | M | 93.2 | Very high | 90.5 | Very high | 26 Ų | 26 | 68.4 Ų | 68.4 | 13% | 0.128 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 139.7 | 176.5 | -172.6 | 171.5 | 76.1 | 0 | 0 | 110.1 | N32 L33 C34 D96 D99 I100 | N32-M73 PolarHBondContact O-N 2.7Å; N32-M73 VanDerWaalsContact O-N 3.14Å; L33-M73 WeakPolarHBondContact CA-O 3.35Å; L33-M73 HydrophobicContact CD2-CB 4.06Å; L33-M73 HydrophobicContact CD2-CE 3.78Å; C34-M73 PolarHBondContact N-O 3.25Å; M73-D96 HydrophobicContact CE-CB 3.77Å; M73-D96 WeakPolarHBondContact CE-O 3.43Å; M73-D99 HydrophobicContact CE-CB 4.3Å; M73-I100 HydrophobicContact CB-CB 4.49Å; M73-I100 HydrophobicContact CB-CD1 3.55Å; M73-I100 HydrophobicContact CB-CG1 4.18Å; M73-I100 HydrophobicContact CE-CB 4.01Å; M73-I100 HydrophobicContact SD-CB 4.41Å |
| 74 | E | 91.4 | Very high | 89.3 | Confident | 73 Ų | 73 | 74.2 Ų | 74.2 | 34% | 0.341 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 138.4 | 173 | -66.1 | 178.3 | -174.4 | 0 | 0 | 110.4 | C34 K37 R76 | C34-E74 CarbonylContact O-C 3.58Å; C34-E74 VanDerWaalsContact O-CA 3.32Å; C34-E74 WeakPolarHBondContact O-CA 3.48Å; K37-E74 WeakPolarHBondContact CG-OE1 3.21Å; E74-R76 PolarHBondContact O-N 2.83Å |
| 75 | L | 87.9 | Confident | 88.2 | Confident | 18 Ų | 18 | 74 Ų | 74 | 9% | 0.094 | 34% | 0.342 | C | S | . | . | trans | -61.6 | 127.2 | 170.9 | -72.1 | 169 | 0 | 0 | 0 | 109.7 | L33 C34 P36 Y51 D96 | L33-L75 HydrophobicContact CB-CD2 3.93Å; L33-L75 HydrophobicContact CB-CG 4.23Å; L33-L75 HydrophobicContact CD1-CD2 4.18Å; L33-L75 HydrophobicContact CD2-CD2 4.37Å; L33-L75 HydrophobicContact CG-CD2 4.39Å; C34-L75 PolarHBondContact O-N 3.4Å; P36-L75 WeakPolarHBondContact CD-O 3.37Å; Y51-L75 HydrophobicContact CD2-CD1 3.9Å; Y51-L75 HydrophobicContact CD2-CD2 3.56Å; Y51-L75 HydrophobicContact CD2-CG 4.33Å; Y51-L75 HydrophobicContact CE2-CD2 3.68Å; Y51-L75 HydrophobicContact CG-CD1 4.46Å; Y51-L75 HydrophobicContact CG-CD2 4.43Å; L75-D96 HydrophobicContact CD2-CB 4.32Å | ||
| 76 | R | 87.3 | Confident | 87.1 | Confident | 186 Ų | 186 | 74.9 Ų | 74.9 | 70% | 0.702 | 35% | 0.346 | S | S | * | . | trans | -110.4 | -29 | 178.7 | -63 | 177.3 | -176.9 | 152.3 | 1.2 | 111.5 | E74 D96 | E74-R76 PolarHBondContact O-N 2.83Å; R76-D96 PolarHBondContact N-OD2 2.93Å | ||
| 77 | R | 87.9 | Confident | 86.3 | Confident | 67 Ų | 67 | 83.2 Ų | 83.2 | 25% | 0.253 | 38% | 0.376 | S | S | . | . | S | Bend | trans | -104.9 | 161.1 | -176 | -67.1 | 176.4 | -174.7 | 112.8 | -9.5 | 109.9 | S90 N91 D92 E95 D96 D99 | R77-S90 WeakPolarHBondContact CD-O 3.24Å; R77-S90 PolarHBondContact NE-O 3.32Å; R77-N91 VanDerWaalsContact CB-O 3.31Å; R77-N91 WeakPolarHBondContact CB-O 3.35Å; R77-D92 WeakPolarHBondContact CD-O 3.38Å; R77-E95 PolarHBondContact NH1-O 2.85Å; R77-D96 WeakPolarHBondContact CD-OD1 3.41Å; R77-D96 WeakPolarHBondContact CG-OD1 3.14Å; R77-D96 IonicContact CZ-OD1 2.95Å; R77-D96 PolarHBondContact N-OD2 2.81Å; R77-D96 IonicContact NE-OD1 3.66Å; R77-D96 VanDerWaalsContact NH1-N 3.17Å; R77-D96 IonicContact NH1-OD1 3.81Å; R77-D96 PolarHBondContact NH1-OD1 3.46Å; R77-D99 IonicContact CZ-OD2 2.66Å; R77-D99 VanDerWaalsContact CZ-OD2 3.28Å; R77-D99 IonicContact NH1-OD2 3.2Å; R77-D99 PolarHBondContact NH1-OD2 2.93Å; R77-D99 IonicContact NH2-OD2 3.7Å; R77-D99 PolarHBondContact NH2-OD2 3.38Å |
| 78 | V | 85.3 | Confident | 85.7 | Confident | 90 Ų | 90 | 82.2 Ų | 82.2 | 55% | 0.545 | 37% | 0.372 | S | S | . | . | B | Isolated β-bridge | trans | -116 | 165.6 | 179.9 | -62.5 | 0 | 0 | 0 | 0 | 110.7 | H80 D92 E93 | V78-H80 WeakPolarHBondContact CG2-NE2 3.44Å; V78-H80 PolarHBondContact O-CD2 3.43Å; V78-H80 VanDerWaalsContact O-CD2 3.31Å; V78-H80 PolarHBondContact O-N 2.79Å; V78-D92 WeakPolarHBondContact O-CA 3.49Å; V78-E93 PolarHBondContact O-N 3.24Å |
| 79 | S | 81.1 | Confident | 85.1 | Confident | 12 Ų | 12 | 83.2 Ų | 83.2 | 8% | 0.084 | 38% | 0.379 | C | S | . | . | trans | -67.8 | 111.1 | 176.8 | -169.2 | 0 | 0 | 0 | 0 | 112.3 | E93 Y123 | S79-E93 WeakPolarHBondContact CB-OE1 3.32Å; S79-E93 PolarHBondContact OG-OE1 2.92Å; S79-Y123 PolarHBondContact OG-OH 2.8Å | ||
| 80 | H | 80.6 | Confident | 84.6 | Confident | 103 Ų | 103 | 83.7 Ų | 83.7 | 48% | 0.477 | 38% | 0.384 | S | S | . | . | trans | -111.3 | -48.6 | 178.6 | -81.2 | -78.7 | 0 | 0 | 0 | 112.3 | V78 R82 N91 D92 | V78-H80 WeakPolarHBondContact CG2-NE2 3.44Å; V78-H80 PolarHBondContact O-CD2 3.43Å; V78-H80 VanDerWaalsContact O-CD2 3.31Å; V78-H80 PolarHBondContact O-N 2.79Å; H80-R82 PolarHBondContact O-N 2.9Å; H80-N91 PolarHBondContact CD2-O 2.85Å; H80-D92 WeakPolarHBondContact CA-OD2 3.21Å; H80-D92 HydrophobicContact CB-CB 4.33Å; H80-D92 PolarHBondContact N-OD2 3.42Å | ||
| 81 | C | 78.2 | Confident | 84.2 | Confident | 15 Ų | 15 | 86 Ų | 86 | 10% | 0.101 | 40% | 0.397 | C | S | . | . | trans | -81.5 | 97.4 | 176.2 | -168.4 | 0 | 0 | 0 | 0 | 108.8 | Y86 D92 R127 | C81-Y86 HydrophobicContact CB-CD2 3.97Å; C81-Y86 HydrophobicContact CB-CE2 3.78Å; C81-D92 PolarHBondContact N-OD2 2.96Å; C81-R127 PolarHBondContact O-NH2 3.18Å | ||
| 82 | R | 75.7 | Confident | 83.9 | Confident | 170 Ų | 170 | 85.3 Ų | 85.3 | 64% | 0.642 | 39% | 0.394 | S | S | * | . | trans | -95.6 | 9.4 | 178.5 | -59.5 | -178.8 | -172.9 | 178.3 | -1.1 | 114.1 | H80 | H80-R82 PolarHBondContact O-N 2.9Š| ||
| 83 | R | 74.3 | Confident | 83.7 | Confident | 178 Ų | 178 | 81.9 Ų | 81.9 | 67% | 0.672 | 38% | 0.378 | S | S | * | . | S | Bend | trans | -74 | 155.3 | 178.5 | -62.7 | 178.2 | 70 | 145.8 | 1.6 | 110.2 | R127 | R83-R127 PolarHBondContact O-NH1 3.33Å; R83-R127 PolarHBondContact O-NH2 3.05Å |
| 84 | M | 72.7 | Confident | 83.6 | Confident | 131 Ų | 131 | 80.7 Ų | 80.7 | 65% | 0.645 | 37% | 0.372 | S | S | * | . | S | Bend | trans | -58.7 | -55.6 | 173 | -78.2 | -61.5 | -171.1 | 0 | 0 | 111.3 | Y86 Y126 | M84-Y86 PolarHBondContact O-N 3.22Å; M84-Y126 WeakPolarHBondContact O-CD2 3.36Å |
| 85 | L | 75 | Confident | 83.8 | Confident | 93 Ų | 93 | 77.7 Ų | 77.7 | 49% | 0.487 | 36% | 0.358 | S | S | . | . | S | Bend | trans | -77.7 | 123.6 | 171.9 | -64.2 | 177 | 0 | 0 | 0 | 109.9 | R87 Y126 | L85-R87 PolarHBondContact O-N 3.46Å; L85-Y126 HydrophobicContact CD2-CD1 4.31Å; L85-Y126 HydrophobicContact CD2-CD2 4.17Å; L85-Y126 HydrophobicContact CD2-CE1 4.22Å; L85-Y126 HydrophobicContact CD2-CE2 4.1Å; L85-Y126 HydrophobicContact CD2-CG 4.3Å |
| 86 | Y | 75.7 | Confident | 84.2 | Confident | 18 Ų | 18 | 76.8 Ų | 76.8 | 7% | 0.071 | 35% | 0.353 | C | S | . | . | trans | -73.6 | 125.6 | 177.9 | -173 | -105.6 | 0 | 0 | 0 | 111.3 | C81 M84 D92 V94 E95 R127 N130 | C81-Y86 HydrophobicContact CB-CD2 3.97Å; C81-Y86 HydrophobicContact CB-CE2 3.78Å; M84-Y86 PolarHBondContact O-N 3.22Å; Y86-D92 HydrophobicContact CE2-CB 4.45Å; Y86-D92 WeakPolarHBondContact CE2-OD1 3.32Å; Y86-D92 PolarHBondContact OH-OD1 2.76Å; Y86-V94 HydrophobicContact CD1-CG1 4.22Å; Y86-V94 HydrophobicContact CD2-CB 4.5Å; Y86-V94 HydrophobicContact CD2-CG1 4.5Å; Y86-V94 HydrophobicContact CD2-CG2 4.17Å; Y86-V94 HydrophobicContact CE1-CB 4.2Å; Y86-V94 HydrophobicContact CE1-CG1 3.69Å; Y86-V94 HydrophobicContact CE2-CB 3.7Å; Y86-V94 HydrophobicContact CE2-CG1 3.99Å; Y86-V94 HydrophobicContact CE2-CG2 3.68Å; Y86-E95 PolarHBondContact OH-OE1 2.88Å; Y86-E95 VanDerWaalsContact OH-OE1 3.12Å; Y86-R127 HydrophobicContact CD2-CG 3.67Å; Y86-R127 HydrophobicContact CE2-CG 4.44Å; Y86-R127 HydrophobicContact CG-CG 3.81Å; Y86-N130 HydrophobicContact CD1-CB 3.87Å | ||
| 87 | R | 81.4 | Confident | 84.6 | Confident | 193 Ų | 193 | 68 Ų | 68 | 73% | 0.728 | 32% | 0.32 | S | S | * | . | trans | -108.6 | 126.6 | 167.6 | -176.6 | 179.2 | -176.6 | 171.9 | 2.2 | 107.3 | L85 C89 | L85-R87 PolarHBondContact O-N 3.46Å; R87-C89 PolarHBondContact O-N 3.23Å | ||
| 88 | Q | 84.4 | Confident | 85.1 | Confident | 118 Ų | 118 | 68 Ų | 68 | 55% | 0.551 | 32% | 0.321 | S | S | * | . | trans | -49.5 | 127.5 | 179.3 | -175.5 | 179 | 14.2 | 0 | 0 | 110.7 | E95 | Q88-E95 PolarHBondContact NE2-OE2 2.89Š| ||
| 89 | C | 85.5 | Confident | 85.7 | Confident | 45 Ų | 45 | 66.4 Ų | 66.4 | 30% | 0.304 | 31% | 0.309 | S | S | . | . | trans | -140.5 | 116.4 | 177.7 | -179.5 | 0 | 0 | 0 | 0 | 107.8 | R87 N91 D92 E95 | R87-C89 PolarHBondContact O-N 3.23Å; C89-N91 PolarHBondContact O-N 2.82Å; C89-D92 HydrophobicContact CB-CB 3.98Å; C89-D92 VanDerWaalsContact O-CB 3.27Å; C89-D92 WeakPolarHBondContact O-CB 3.45Å; C89-D92 PolarHBondContact O-N 3.29Å; C89-E95 WeakPolarHBondContact O-CG 3.44Å | ||
| 90 | S | 88.3 | Confident | 86.5 | Confident | 80 Ų | 80 | 65.9 Ų | 65.9 | 56% | 0.559 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | -21.8 | -170.5 | 57.6 | 0 | 0 | 0 | 0 | 115.2 | R77 | R77-S90 WeakPolarHBondContact CD-O 3.24Å; R77-S90 PolarHBondContact NE-O 3.32Å |
| 91 | N | 89.1 | Confident | 87.3 | Confident | 100 Ų | 100 | 61.1 Ų | 61.1 | 54% | 0.535 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.1 | 2.5 | -176.3 | -61.3 | -6 | 0 | 0 | 0 | 112.6 | R77 H80 C89 | R77-N91 VanDerWaalsContact CB-O 3.31Å; R77-N91 WeakPolarHBondContact CB-O 3.35Å; H80-N91 PolarHBondContact CD2-O 2.85Å; C89-N91 PolarHBondContact O-N 2.82Å |
| 92 | D | 91.7 | Very high | 88.3 | Confident | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 29% | 0.293 | C | S | . | . | B | Isolated β-bridge | trans | -86.2 | 144.9 | -175.3 | -170.4 | -91.9 | 0 | 0 | 0 | 112.7 | R77 V78 H80 C81 Y86 C89 V94 E95 | R77-D92 WeakPolarHBondContact CD-O 3.38Å; V78-D92 WeakPolarHBondContact O-CA 3.49Å; H80-D92 WeakPolarHBondContact CA-OD2 3.21Å; H80-D92 HydrophobicContact CB-CB 4.33Å; H80-D92 PolarHBondContact N-OD2 3.42Å; C81-D92 PolarHBondContact N-OD2 2.96Å; Y86-D92 HydrophobicContact CE2-CB 4.45Å; Y86-D92 WeakPolarHBondContact CE2-OD1 3.32Å; Y86-D92 PolarHBondContact OH-OD1 2.76Å; C89-D92 HydrophobicContact CB-CB 3.98Å; C89-D92 VanDerWaalsContact O-CB 3.27Å; C89-D92 WeakPolarHBondContact O-CB 3.45Å; C89-D92 PolarHBondContact O-N 3.29Å; D92-V94 PolarHBondContact O-N 3.15Å; D92-V94 VanDerWaalsContact OD1-CB 3.26Å; D92-V94 WeakPolarHBondContact OD1-CB 3.5Å; D92-V94 WeakPolarHBondContact OD1-CG2 3.33Å; D92-V94 PolarHBondContact OD1-N 2.9Å; D92-E95 WeakPolarHBondContact O-CB 3.46Å; D92-E95 PolarHBondContact O-N 3.34Å |
| 93 | E | 90.2 | Very high | 89.4 | Confident | 4 Ų | 4 | 60.4 Ų | 60.4 | 2% | 0.019 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -50.1 | -30.5 | 177.7 | 69.8 | -172.4 | 168.6 | 0 | 0 | 113.7 | M50 Y51 V78 S79 E95 D96 | M50-E93 HydrophobicContact CG-CG 4.34Å; M50-E93 WeakPolarHBondContact CG-OE1 3.49Å; Y51-E93 HydrophobicContact CE2-CB 4.16Å; Y51-E93 HydrophobicContact CE2-CG 4.1Å; V78-E93 PolarHBondContact O-N 3.24Å; S79-E93 WeakPolarHBondContact CB-OE1 3.32Å; S79-E93 PolarHBondContact OG-OE1 2.92Å; E93-E95 PolarHBondContact O-N 2.99Å; E93-D96 WeakPolarHBondContact O-CB 3.45Å; E93-D96 PolarHBondContact O-N 3.29Å |
| 94 | V | 91.9 | Very high | 90.5 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -65.4 | -25 | 178.3 | 174.9 | 0 | 0 | 0 | 0 | 112.5 | M50 Y86 D92 D96 L97 Y98 R127 V131 | M50-V94 HydrophobicContact CG-CG2 4.31Å; Y86-V94 HydrophobicContact CD1-CG1 4.22Å; Y86-V94 HydrophobicContact CD2-CB 4.5Å; Y86-V94 HydrophobicContact CD2-CG1 4.5Å; Y86-V94 HydrophobicContact CD2-CG2 4.17Å; Y86-V94 HydrophobicContact CE1-CB 4.2Å; Y86-V94 HydrophobicContact CE1-CG1 3.69Å; Y86-V94 HydrophobicContact CE2-CB 3.7Å; Y86-V94 HydrophobicContact CE2-CG1 3.99Å; Y86-V94 HydrophobicContact CE2-CG2 3.68Å; D92-V94 PolarHBondContact O-N 3.15Å; D92-V94 VanDerWaalsContact OD1-CB 3.26Å; D92-V94 WeakPolarHBondContact OD1-CB 3.5Å; D92-V94 WeakPolarHBondContact OD1-CG2 3.33Å; D92-V94 PolarHBondContact OD1-N 2.9Å; V94-D96 VanDerWaalsContact C-N 3.29Å; V94-L97 WeakPolarHBondContact O-CB 3.08Å; V94-L97 PolarHBondContact O-N 2.87Å; V94-Y98 PolarHBondContact O-N 3.45Å; V94-R127 HydrophobicContact CG1-CB 4.09Å; V94-R127 HydrophobicContact CG1-CG 4.38Å; V94-R127 HydrophobicContact CG2-CB 3.84Å; V94-R127 VanDerWaalsContact CG2-CD 3.43Å; V94-R127 HydrophobicContact CG2-CG 3.61Å; V94-V131 HydrophobicContact CG1-CG2 3.55Å |
| 95 | E | 95.9 | Very high | 91.7 | Very high | 10 Ų | 10 | 47.6 Ų | 47.6 | 5% | 0.047 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -74.9 | -20.3 | 175.1 | -57.2 | -61.2 | 108.1 | 0 | 0 | 111.9 | R77 Y86 Q88 C89 D92 E93 L97 Y98 D99 R134 | R77-E95 PolarHBondContact NH1-O 2.85Å; Y86-E95 PolarHBondContact OH-OE1 2.88Å; Y86-E95 VanDerWaalsContact OH-OE1 3.12Å; Q88-E95 PolarHBondContact NE2-OE2 2.89Å; C89-E95 WeakPolarHBondContact O-CG 3.44Å; D92-E95 WeakPolarHBondContact O-CB 3.46Å; D92-E95 PolarHBondContact O-N 3.34Å; E93-E95 PolarHBondContact O-N 2.99Å; E95-L97 VanDerWaalsContact C-N 3.27Å; E95-L97 PolarHBondContact O-N 3.36Å; E95-Y98 WeakPolarHBondContact O-CB 3.5Å; E95-Y98 PolarHBondContact O-N 2.83Å; E95-D99 VanDerWaalsContact O-CG 3.27Å; E95-D99 PolarHBondContact O-N 3.08Å; E95-R134 VanDerWaalsContact CD-NH1 3.3Å; E95-R134 IonicContact OE1-CZ 2.86Å; E95-R134 VanDerWaalsContact OE1-CZ 3.29Å; E95-R134 IonicContact OE1-NH1 3.55Å; E95-R134 PolarHBondContact OE1-NH1 3.32Å; E95-R134 IonicContact OE1-NH2 2.67Å; E95-R134 PolarHBondContact OE1-NH2 3.34Å; E95-R134 IonicContact OE2-CZ 3.28Å; E95-R134 IonicContact OE2-NH1 2.72Å; E95-R134 PolarHBondContact OE2-NH1 3.41Å; E95-R134 IonicContact OE2-NH2 2.86Å |
| 96 | D | 95.4 | Very high | 92.8 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -65.7 | -35.6 | 169.5 | -67.6 | -22.4 | 0 | 0 | 0 | 110.2 | L33 M73 L75 R76 R77 E93 V94 D99 I100 | L33-D96 HydrophobicContact CD1-CB 4.38Å; L33-D96 HydrophobicContact CD2-CB 4.04Å; M73-D96 HydrophobicContact CE-CB 3.77Å; M73-D96 WeakPolarHBondContact CE-O 3.43Å; L75-D96 HydrophobicContact CD2-CB 4.32Å; R76-D96 PolarHBondContact N-OD2 2.93Å; R77-D96 WeakPolarHBondContact CD-OD1 3.41Å; R77-D96 WeakPolarHBondContact CG-OD1 3.14Å; R77-D96 IonicContact CZ-OD1 2.95Å; R77-D96 PolarHBondContact N-OD2 2.81Å; R77-D96 IonicContact NE-OD1 3.66Å; R77-D96 VanDerWaalsContact NH1-N 3.17Å; R77-D96 IonicContact NH1-OD1 3.81Å; R77-D96 PolarHBondContact NH1-OD1 3.46Å; E93-D96 WeakPolarHBondContact O-CB 3.45Å; E93-D96 PolarHBondContact O-N 3.29Å; V94-D96 VanDerWaalsContact C-N 3.29Å; D96-D99 PolarHBondContact O-N 2.72Å; D96-I100 PolarHBondContact O-N 3.3Å |
| 97 | L | 96.9 | Very high | 93.9 | Very high | 1 Ų | 1 | 51.5 Ų | 51.5 | 1% | 0.005 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -66.3 | -38.8 | 172 | 176.2 | 63 | 0 | 0 | 0 | 112.1 | L6 V31 L33 Y51 V94 E95 I100 L101 V128 V131 | L6-L97 HydrophobicContact CD1-CD1 3.94Å; L6-L97 HydrophobicContact CD1-CD2 3.99Å; L6-L97 HydrophobicContact CD2-CD1 3.56Å; L6-L97 HydrophobicContact CG-CD1 4.42Å; V31-L97 HydrophobicContact CG1-CD1 4.33Å; L33-L97 HydrophobicContact CD1-CB 3.89Å; L33-L97 HydrophobicContact CD1-CD1 4.48Å; Y51-L97 WeakPolarHBondContact OH-CB 3.31Å; V94-L97 WeakPolarHBondContact O-CB 3.08Å; V94-L97 PolarHBondContact O-N 2.87Å; E95-L97 VanDerWaalsContact C-N 3.27Å; E95-L97 PolarHBondContact O-N 3.36Å; L97-I100 HydrophobicContact CD1-CG2 4.33Å; L97-I100 WeakPolarHBondContact O-CG2 3.48Å; L97-L101 HydrophobicContact CD1-CD1 3.8Å; L97-L101 HydrophobicContact CD1-CG 4.07Å; L97-L101 HydrophobicContact CG-CD1 3.99Å; L97-L101 WeakPolarHBondContact O-CB 3.23Å; L97-L101 VanDerWaalsContact O-CG 3.28Å; L97-L101 WeakPolarHBondContact O-CG 3.37Å; L97-L101 PolarHBondContact O-N 3.29Å; L97-L101 VanDerWaalsContact O-N 3.16Å; L97-V128 HydrophobicContact CD2-CG2 4.29Å; L97-V131 HydrophobicContact CD2-CB 4.49Å; L97-V131 HydrophobicContact CD2-CG2 4.27Å; L97-V131 HydrophobicContact CG-CG1 4.24Å; L97-V131 HydrophobicContact CG-CG2 4.42Å |
| 98 | Y | 97.6 | Very high | 94.7 | Very high | 67 Ų | 67 | 43.6 Ų | 43.6 | 26% | 0.263 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -60.9 | -48 | 173.7 | -178.7 | -89.9 | 0 | 0 | 0 | 111.2 | V94 E95 I100 L101 C102 V131 R134 L135 | V94-Y98 PolarHBondContact O-N 3.45Å; E95-Y98 WeakPolarHBondContact O-CB 3.5Å; E95-Y98 PolarHBondContact O-N 2.83Å; Y98-I100 PolarHBondContact O-N 3.45Å; Y98-L101 PolarHBondContact O-N 3.14Å; Y98-C102 WeakPolarHBondContact CE1-SG 3.45Å; Y98-C102 PolarHBondContact O-N 2.94Å; Y98-C102 PolarHBondContact O-SG 2.8Å; Y98-V131 HydrophobicContact CD2-CG1 4.14Å; Y98-R134 HydrophobicContact CD2-CB 4.39Å; Y98-R134 HydrophobicContact CE2-CB 3.89Å; Y98-L135 HydrophobicContact CD2-CD1 4.25Å; Y98-L135 HydrophobicContact CD2-CD2 3.97Å; Y98-L135 HydrophobicContact CD2-CG 3.97Å; Y98-L135 HydrophobicContact CE2-CD1 4.42Å; Y98-L135 HydrophobicContact CE2-CD2 3.34Å; Y98-L135 HydrophobicContact CE2-CG 3.71Å |
| 99 | D | 97.7 | Very high | 95.2 | Very high | 56 Ų | 56 | 43 Ų | 43 | 30% | 0.299 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -64.2 | -42.9 | -176.8 | -69.5 | -20 | 0 | 0 | 0 | 112.5 | M73 R77 E95 D96 C102 R103 | M73-D99 HydrophobicContact CE-CB 4.3Å; R77-D99 IonicContact CZ-OD2 2.66Å; R77-D99 VanDerWaalsContact CZ-OD2 3.28Å; R77-D99 IonicContact NH1-OD2 3.2Å; R77-D99 PolarHBondContact NH1-OD2 2.93Å; R77-D99 IonicContact NH2-OD2 3.7Å; R77-D99 PolarHBondContact NH2-OD2 3.38Å; E95-D99 VanDerWaalsContact O-CG 3.27Å; E95-D99 PolarHBondContact O-N 3.08Å; D96-D99 PolarHBondContact O-N 2.72Å; D99-C102 WeakPolarHBondContact O-CB 3.16Å; D99-C102 PolarHBondContact O-N 3.17Å; D99-R103 PolarHBondContact O-N 3.07Å; D99-R103 VanDerWaalsContact O-N 3.14Å |
| 100 | I | 97.8 | Very high | 95.8 | Very high | 2 Ų | 2 | 44.4 Ų | 44.4 | 1% | 0.01 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -69.2 | -35.5 | 178.3 | -160.1 | 174.4 | 0 | 0 | 0 | 112 | V31 L33 Y71 M73 D96 L97 Y98 R103 V104 | V31-I100 HydrophobicContact CG1-CD1 4.15Å; V31-I100 HydrophobicContact CG1-CG2 3.71Å; L33-I100 HydrophobicContact CD2-CG2 4.4Å; Y71-I100 VanDerWaalsContact O-CD1 3.24Å; Y71-I100 WeakPolarHBondContact O-CD1 3.27Å; M73-I100 HydrophobicContact CB-CB 4.49Å; M73-I100 HydrophobicContact CB-CD1 3.55Å; M73-I100 HydrophobicContact CB-CG1 4.18Å; M73-I100 HydrophobicContact CE-CB 4.01Å; M73-I100 HydrophobicContact SD-CB 4.41Å; D96-I100 PolarHBondContact O-N 3.3Å; L97-I100 HydrophobicContact CD1-CG2 4.33Å; L97-I100 WeakPolarHBondContact O-CG2 3.48Å; Y98-I100 PolarHBondContact O-N 3.45Å; I100-R103 WeakPolarHBondContact O-CB 3.39Å; I100-R103 PolarHBondContact O-N 2.9Å; I100-V104 WeakPolarHBondContact O-CG2 3.43Å; I100-V104 PolarHBondContact O-N 3.24Å |
| 101 | L | 98.5 | Very high | 96.3 | Very high | 2 Ų | 2 | 40.9 Ų | 40.9 | 1% | 0.01 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -70.8 | -33.4 | 175.6 | -72.1 | 173.5 | 0 | 0 | 0 | 112.2 | V31 L97 Y98 R103 V104 L105 V114 V131 L135 | V31-L101 HydrophobicContact CG2-CD2 4.21Å; L97-L101 HydrophobicContact CD1-CD1 3.8Å; L97-L101 HydrophobicContact CD1-CG 4.07Å; L97-L101 HydrophobicContact CG-CD1 3.99Å; L97-L101 WeakPolarHBondContact O-CB 3.23Å; L97-L101 VanDerWaalsContact O-CG 3.28Å; L97-L101 WeakPolarHBondContact O-CG 3.37Å; L97-L101 PolarHBondContact O-N 3.29Å; L97-L101 VanDerWaalsContact O-N 3.16Å; Y98-L101 PolarHBondContact O-N 3.14Å; L101-R103 VanDerWaalsContact C-N 3.3Å; L101-R103 PolarHBondContact O-N 3.11Å; L101-V104 WeakPolarHBondContact O-CB 3.36Å; L101-V104 PolarHBondContact O-N 3.42Å; L101-L105 WeakPolarHBondContact O-CG 3.5Å; L101-L105 PolarHBondContact O-N 3.12Å; L101-V114 HydrophobicContact CD1-CG2 3.99Å; L101-V114 HydrophobicContact CD2-CG2 3.83Å; L101-V131 HydrophobicContact CD1-CG1 3.69Å; L101-L135 HydrophobicContact CB-CD1 3.46Å; L101-L135 VanDerWaalsContact CB-CD1 3.46Å; L101-L135 HydrophobicContact CD1-CD1 4.15Å; L101-L135 HydrophobicContact CG-CD1 4.47Å |
| 102 | C | 98.2 | Very high | 96.7 | Very high | 44 Ų | 44 | 39.1 Ų | 39.1 | 30% | 0.297 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -58 | -44.2 | 168.4 | -78.7 | 0 | 0 | 0 | 0 | 111.5 | Y98 D99 L105 S106 L135 | Y98-C102 WeakPolarHBondContact CE1-SG 3.45Å; Y98-C102 PolarHBondContact O-N 2.94Å; Y98-C102 PolarHBondContact O-SG 2.8Å; D99-C102 WeakPolarHBondContact O-CB 3.16Å; D99-C102 PolarHBondContact O-N 3.17Å; C102-L105 PolarHBondContact O-N 3.12Å; C102-S106 PolarHBondContact O-N 3.03Å; C102-L135 VanDerWaalsContact SG-CD2 3.56Å |
| 103 | R | 98.3 | Very high | 97 | Very high | 127 Ų | 127 | 39.1 Ų | 39.1 | 48% | 0.479 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -61.2 | -47.4 | 175.9 | -179.8 | -178.6 | 171.7 | -167.6 | -2.2 | 111.6 | Y71 D99 I100 L101 L105 S106 E107 | Y71-R103 HydrophobicContact CD1-CG 4.38Å; Y71-R103 HydrophobicContact CE1-CG 4.4Å; D99-R103 PolarHBondContact O-N 3.07Å; D99-R103 VanDerWaalsContact O-N 3.14Å; I100-R103 WeakPolarHBondContact O-CB 3.39Å; I100-R103 PolarHBondContact O-N 2.9Å; L101-R103 VanDerWaalsContact C-N 3.3Å; L101-R103 PolarHBondContact O-N 3.11Å; R103-L105 VanDerWaalsContact C-N 3.33Å; R103-L105 PolarHBondContact O-N 3.35Å; R103-S106 PolarHBondContact O-N 3.22Å; R103-S106 PolarHBondContact O-OG 2.72Å; R103-E107 IonicContact CZ-OE1 2.79Å; R103-E107 IonicContact NE-OE1 3.17Å; R103-E107 PolarHBondContact NE-OE1 2.76Å; R103-E107 VanDerWaalsContact NE-OE1 3.17Å; R103-E107 IonicContact NH2-OE1 3.36Å; R103-E107 PolarHBondContact O-N 3.22Å |
| 104 | V | 98.3 | Very high | 97.4 | Very high | 1 Ų | 1 | 39 Ų | 39 | 1% | 0.006 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -53.5 | -50.5 | 174.8 | 167.4 | 0 | 0 | 0 | 0 | 111 | V4 V31 Y71 I100 L101 S106 E107 I108 V111 | V4-V104 HydrophobicContact CG2-CG1 3.66Å; V31-V104 HydrophobicContact CG2-CG2 3.66Å; Y71-V104 HydrophobicContact CD1-CG2 3.72Å; Y71-V104 HydrophobicContact CD2-CG2 3.7Å; Y71-V104 HydrophobicContact CE1-CG2 4.15Å; Y71-V104 HydrophobicContact CE2-CG2 4.12Å; Y71-V104 HydrophobicContact CG-CG2 3.49Å; Y71-V104 VanDerWaalsContact CG-CG2 3.49Å; I100-V104 WeakPolarHBondContact O-CG2 3.43Å; I100-V104 PolarHBondContact O-N 3.24Å; L101-V104 WeakPolarHBondContact O-CB 3.36Å; L101-V104 PolarHBondContact O-N 3.42Å; V104-S106 VanDerWaalsContact C-N 3.26Å; V104-S106 PolarHBondContact O-N 2.86Å; V104-E107 PolarHBondContact O-N 2.67Å; V104-E107 VanDerWaalsContact O-N 3.13Å; V104-I108 PolarHBondContact O-N 2.97Å; V104-V111 HydrophobicContact CG1-CG2 4.31Å |
| 105 | L | 98.3 | Very high | 97.7 | Very high | 38 Ų | 38 | 39 Ų | 39 | 20% | 0.199 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -65.1 | -29.2 | -178.3 | -71 | 171.3 | 0 | 0 | 0 | 113.3 | L101 C102 R103 E107 P109 V111 L135 L137 | L101-L105 WeakPolarHBondContact O-CG 3.5Å; L101-L105 PolarHBondContact O-N 3.12Å; C102-L105 PolarHBondContact O-N 3.12Å; R103-L105 VanDerWaalsContact C-N 3.33Å; R103-L105 PolarHBondContact O-N 3.35Å; L105-E107 VanDerWaalsContact C-N 3.3Å; L105-P109 VanDerWaalsContact O-CA 3.26Å; L105-P109 WeakPolarHBondContact O-CA 3.35Å; L105-V111 HydrophobicContact CD2-CB 3.91Å; L105-V111 HydrophobicContact CD2-CG1 4.28Å; L105-L135 HydrophobicContact CD1-CB 4.07Å; L105-L135 HydrophobicContact CD1-CD1 4.31Å; L105-L135 HydrophobicContact CD1-CD2 4.27Å; L105-L135 HydrophobicContact CD1-CG 4.45Å; L105-L137 HydrophobicContact CD1-CD1 4.13Å; L105-L137 HydrophobicContact CD1-CD2 4.48Å; L105-L137 HydrophobicContact CD1-CG 4.47Å; L105-L137 HydrophobicContact CD2-CD1 4.34Å; L105-L137 HydrophobicContact CD2-CD2 3.9Å; L105-L137 HydrophobicContact CG-CD1 4.5Å |
| 106 | S | 98.1 | Very high | 97.7 | Very high | 91 Ų | 91 | 39 Ų | 39 | 64% | 0.636 | 21% | 0.21 | S | C | * | . | H | α-helix | trans | -68.9 | -29.9 | 175.4 | 75.8 | 0 | 0 | 0 | 0 | 113 | C102 R103 V104 | C102-S106 PolarHBondContact O-N 3.03Å; R103-S106 PolarHBondContact O-N 3.22Å; R103-S106 PolarHBondContact O-OG 2.72Å; V104-S106 VanDerWaalsContact C-N 3.26Å; V104-S106 PolarHBondContact O-N 2.86Å |
| 107 | E | 98.1 | Very high | 97.6 | Very high | 102 Ų | 102 | 39.6 Ų | 39.6 | 48% | 0.477 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -97.5 | -30.3 | -178.5 | -64.5 | 178.3 | -151.6 | 0 | 0 | 112.2 | Y71 R103 V104 L105 | Y71-E107 WeakPolarHBondContact CE1-OE2 3.41Å; Y71-E107 VanDerWaalsContact CZ-OE2 3.31Å; Y71-E107 WeakPolarHBondContact OH-CB 3.28Å; Y71-E107 PolarHBondContact OH-OE2 3Å; R103-E107 IonicContact CZ-OE1 2.79Å; R103-E107 IonicContact NE-OE1 3.17Å; R103-E107 PolarHBondContact NE-OE1 2.76Å; R103-E107 VanDerWaalsContact NE-OE1 3.17Å; R103-E107 IonicContact NH2-OE1 3.36Å; R103-E107 PolarHBondContact O-N 3.22Å; V104-E107 PolarHBondContact O-N 2.67Å; V104-E107 VanDerWaalsContact O-N 3.13Å; L105-E107 VanDerWaalsContact C-N 3.3Å |
| 108 | I | 97.5 | Very high | 97.2 | Very high | 28 Ų | 28 | 40 Ų | 40 | 14% | 0.144 | 22% | 0.22 | C | C | . | . | trans | -131.8 | 74.8 | -177.9 | -45.7 | 179 | 0 | 0 | 0 | 109.1 | V28 A29 Y71 V104 D110 V111 | V28-I108 HydrophobicContact CG2-CG2 4.33Å; A29-I108 HydrophobicContact CB-CD1 4.1Å; Y71-I108 HydrophobicContact CE2-CD1 4.03Å; V104-I108 PolarHBondContact O-N 2.97Å; I108-D110 WeakPolarHBondContact CG2-OD1 3.32Å; I108-D110 PolarHBondContact O-N 3.13Å; I108-D110 VanDerWaalsContact O-N 3.16Å; I108-V111 HydrophobicContact CB-CG2 4.08Å; I108-V111 HydrophobicContact CG2-CG2 3.74Å; I108-V111 WeakPolarHBondContact O-CG2 3.32Å; I108-V111 PolarHBondContact O-N 3.16Å | ||
| 109 | P | 96.8 | Very high | 96.7 | Very high | 106 Ų | 106 | 36.8 Ų | 36.8 | 69% | 0.688 | 21% | 0.207 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -71 | -9.6 | -170.8 | 27.4 | -36 | 0 | 0 | 0 | 114.9 | L105 | L105-P109 VanDerWaalsContact O-CA 3.26Å; L105-P109 WeakPolarHBondContact O-CA 3.35Å |
| 110 | D | 96.8 | Very high | 95.9 | Very high | 73 Ų | 73 | 38.6 Ų | 38.6 | 39% | 0.39 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.5 | 4.5 | 179 | 65.8 | -5.6 | 0 | 0 | 0 | 113.8 | K2 I108 T112 | K2-D110 HydrophobicContact CD-CB 4.28Å; K2-D110 VanDerWaalsContact CD-CG 3.48Å; K2-D110 VanDerWaalsContact CD-OD2 3.23Å; K2-D110 WeakPolarHBondContact CD-OD2 3.29Å; K2-D110 WeakPolarHBondContact CE-OD2 3.4Å; K2-D110 IonicContact NZ-OD2 3.41Å; K2-D110 PolarHBondContact NZ-OD2 3.14Å; I108-D110 WeakPolarHBondContact CG2-OD1 3.32Å; I108-D110 PolarHBondContact O-N 3.13Å; I108-D110 VanDerWaalsContact O-N 3.16Å; D110-T112 PolarHBondContact O-N 3.41Å |
| 111 | V | 98.2 | Very high | 95 | Very high | 7 Ų | 7 | 40 Ų | 40 | 4% | 0.042 | 23% | 0.226 | C | C | . | . | trans | -64.8 | 127.2 | 168.3 | 173.4 | 0 | 0 | 0 | 0 | 109.7 | V4 V28 V104 L105 I108 A113 L137 | V4-V111 HydrophobicContact CG2-CG1 4.05Å; V4-V111 HydrophobicContact CG2-CG2 3.79Å; V28-V111 HydrophobicContact CG2-CG2 3.5Å; V28-V111 VanDerWaalsContact CG2-CG2 3.5Å; V104-V111 HydrophobicContact CG1-CG2 4.31Å; L105-V111 HydrophobicContact CD2-CB 3.91Å; L105-V111 HydrophobicContact CD2-CG1 4.28Å; I108-V111 HydrophobicContact CB-CG2 4.08Å; I108-V111 HydrophobicContact CG2-CG2 3.74Å; I108-V111 WeakPolarHBondContact O-CG2 3.32Å; I108-V111 PolarHBondContact O-N 3.16Å; V111-A113 WeakPolarHBondContact CG1-O 3.26Å; V111-L137 HydrophobicContact CG1-CD2 4.35Å; V111-L137 VanDerWaalsContact O-CD2 3.3Å; V111-L137 WeakPolarHBondContact O-CD2 3.49Å | ||
| 112 | T | 97.8 | Very high | 93.9 | Very high | 63 Ų | 63 | 42.5 Ų | 42.5 | 39% | 0.387 | 24% | 0.24 | S | C | . | . | trans | -118.2 | -5 | 179.5 | 58.5 | 0 | 0 | 0 | 0 | 113 | M1 K2 D110 R138 | M1-T112 WeakPolarHBondContact CB-OG1 3.42Å; K2-T112 PolarHBondContact O-N 2.93Å; K2-T112 PolarHBondContact O-OG1 2.91Å; D110-T112 PolarHBondContact O-N 3.41Å; T112-R138 PolarHBondContact O-N 3.32Å | ||
| 113 | A | 98.3 | Very high | 92.9 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151 | 155.6 | -173.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | M1 K2 F3 V4 V111 R138 L140 | M1-A113 HydrophobicContact CB-CB 4.47Å; M1-A113 HydrophobicContact SD-CB 4.33Å; K2-A113 PolarHBondContact O-N 3.09Å; F3-A113 WeakPolarHBondContact CA-O 3.39Å; F3-A113 HydrophobicContact CB-CB 3.83Å; V4-A113 PolarHBondContact N-O 3.04Å; V111-A113 WeakPolarHBondContact CG1-O 3.26Å; A113-R138 CarbonylContact C-O 3.57Å; A113-R138 WeakPolarHBondContact CA-O 3.38Å; A113-R138 HydrophobicContact CB-CB 4.16Å; A113-R138 WeakPolarHBondContact CB-O 3.43Å; A113-L140 HydrophobicContact CB-CD1 3.6Å; A113-L140 HydrophobicContact CB-CG 3.93Å |
| 114 | V | 98.5 | Very high | 92.2 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 130.6 | 172.8 | 178.4 | 0 | 0 | 0 | 0 | 108.2 | V4 L6 L101 T132 L137 R138 S139 L140 | V4-V114 CarbonylContact O-C 3.47Å; V4-V114 VanDerWaalsContact O-CA 3.26Å; V4-V114 WeakPolarHBondContact O-CA 3.5Å; L6-V114 HydrophobicContact CD1-CG1 3.88Å; L6-V114 HydrophobicContact CD2-CG1 3.72Å; L6-V114 HydrophobicContact CG-CG1 3.54Å; L101-V114 HydrophobicContact CD1-CG2 3.99Å; L101-V114 HydrophobicContact CD2-CG2 3.83Å; V114-T132 HydrophobicContact CB-CG2 3.63Å; V114-T132 HydrophobicContact CG1-CG2 4.39Å; V114-T132 HydrophobicContact CG2-CG2 3.75Å; V114-L137 HydrophobicContact CG2-CB 4.49Å; V114-L137 HydrophobicContact CG2-CD1 3.63Å; V114-R138 PolarHBondContact N-O 3.01Å; V114-S139 CarbonylContact O-C 3.58Å; V114-S139 WeakPolarHBondContact O-CA 3.47Å; V114-L140 PolarHBondContact O-N 2.99Å |
| 115 | S | 98.1 | Very high | 91.6 | Very high | 1 Ų | 1 | 38.9 Ų | 38.9 | 1% | 0.007 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 147.1 | 175.5 | 82.3 | 0 | 0 | 0 | 0 | 111.7 | F3 V4 A5 L6 N16 C20 L140 | F3-S115 WeakPolarHBondContact CD2-OG 3.22Å; F3-S115 VanDerWaalsContact CE2-OG 3.31Å; F3-S115 WeakPolarHBondContact CE2-OG 3.43Å; V4-S115 PolarHBondContact O-N 3.48Å; A5-S115 WeakPolarHBondContact CA-OG 3.37Å; A5-S115 WeakPolarHBondContact CB-OG 3.31Å; L6-S115 WeakPolarHBondContact CB-O 3.24Å; L6-S115 WeakPolarHBondContact CG-O 3.3Å; L6-S115 PolarHBondContact N-O 2.69Å; N16-S115 WeakPolarHBondContact ND2-CB 3.49Å; C20-S115 VanDerWaalsContact SG-CB 3.57Å; S115-L140 VanDerWaalsContact CA-O 3.27Å; S115-L140 WeakPolarHBondContact CA-O 3.46Å; S115-L140 WeakPolarHBondContact CB-O 3.34Å |
| 116 | S | 96 | Very high | 91 | Very high | 9 Ų | 9 | 40 Ų | 40 | 6% | 0.063 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 142.1 | 177.1 | 64.5 | 0 | 0 | 0 | 0 | 111.4 | N16 A118 L140 C141 | N16-S116 PolarHBondContact ND2-N 3.31Å; N16-S116 PolarHBondContact ND2-O 3.04Å; S116-A118 VanDerWaalsContact C-N 3.34Å; S116-A118 PolarHBondContact O-N 2.83Å; S116-L140 PolarHBondContact N-O 3.12Å; S116-C141 PolarHBondContact OG-SG 3.46Å |
| 117 | G | 93.9 | Very high | 90.6 | Very high | 13 Ų | 13 | 35.7 Ų | 35.7 | 13% | 0.134 | 19% | 0.194 | C | C | . | . | trans | -82.4 | 7.6 | -176.6 | 0 | 0 | 0 | 0 | 0 | 116.7 | D12 I119 | D12-G117 WeakPolarHBondContact CB-O 3.03Å; G117-I119 PolarHBondContact O-N 2.78Å | ||
| 118 | A | 89.3 | Confident | 90.3 | Very high | 10 Ų | 10 | 31.1 Ų | 31.1 | 8% | 0.083 | 17% | 0.173 | C | C | . | . | trans | -63.7 | 129.7 | -178.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | S116 Q124 | S116-A118 VanDerWaalsContact C-N 3.34Å; S116-A118 PolarHBondContact O-N 2.83Å; A118-Q124 HydrophobicContact CB-CB 4.05Å; A118-Q124 VanDerWaalsContact CB-OE1 3.3Å | ||
| 119 | I | 86.6 | Confident | 89.9 | Confident | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 18% | 0.177 | C | C | . | . | S | Bend | trans | -97.4 | -55.4 | -174.7 | -53.4 | 162.5 | 0 | 0 | 0 | 111.1 | D12 G117 L143 W144 Q145 Q148 L151 C202 E204 | D12-I119 HydrophobicContact CB-CD1 4.4Å; G117-I119 PolarHBondContact O-N 2.78Å; I119-L143 HydrophobicContact CG1-CB 4.04Å; I119-L143 HydrophobicContact CG1-CD1 4.38Å; I119-L143 WeakPolarHBondContact CG2-O 3.41Å; I119-W144 CarbonylContact O-C 3.54Å; I119-W144 WeakPolarHBondContact O-CA 3.45Å; I119-Q145 PolarHBondContact O-N 3.5Å; I119-Q148 HydrophobicContact CG2-CG 4.09Å; I119-L151 HydrophobicContact CB-CD2 4.33Å; I119-L151 HydrophobicContact CD1-CD2 3.43Å; I119-L151 VanDerWaalsContact CD1-CD2 3.43Å; I119-L151 HydrophobicContact CG1-CD2 3.59Å; I119-L151 HydrophobicContact CG2-CD2 3.76Å; I119-C202 HydrophobicContact CD1-CB 3.69Å; I119-E204 WeakPolarHBondContact CA-OE1 3.47Å; I119-E204 HydrophobicContact CB-CG 3.92Å; I119-E204 WeakPolarHBondContact CB-OE1 3.31Å; I119-E204 HydrophobicContact CD1-CG 4.01Å; I119-E204 HydrophobicContact CG1-CG 4.38Å; I119-E204 WeakPolarHBondContact CG1-OE1 3.31Å; I119-E204 PolarHBondContact N-OE1 2.96Å |
| 120 | L | 80.7 | Confident | 89.7 | Confident | 94 Ų | 94 | 28 Ų | 28 | 49% | 0.492 | 15% | 0.149 | S | C | . | . | S | Bend | trans | -119.2 | -22.2 | -174.2 | -165.2 | 71.2 | 0 | 0 | 0 | 112.6 | D122 E204 | L120-D122 PolarHBondContact O-N 3.31Å; L120-E204 PolarHBondContact N-OE2 2.83Å |
| 121 | S | 78.5 | Confident | 89.5 | Confident | 31 Ų | 31 | 24.5 Ų | 24.5 | 22% | 0.217 | 13% | 0.13 | C | C | . | . | trans | -65.5 | 95.5 | -178.2 | -172.3 | 0 | 0 | 0 | 0 | 113.9 | Y123 Q124 R125 E204 | S121-Y123 PolarHBondContact O-N 3.4Å; S121-Q124 PolarHBondContact O-N 2.83Å; S121-Q124 WeakPolarHBondContact OG-CG 3.32Å; S121-Q124 PolarHBondContact OG-N 2.72Å; S121-R125 PolarHBondContact O-N 3.46Å; S121-E204 PolarHBondContact N-OE2 3.27Å; S121-E204 VanDerWaalsContact N-OE2 3.09Å | ||
| 122 | D | 76.4 | Confident | 89.2 | Confident | 54 Ų | 54 | 24.4 Ų | 24.4 | 29% | 0.289 | 13% | 0.13 | S | C | . | . | H | α-helix | trans | -58.4 | -31.6 | 167.1 | -92.9 | -21.6 | 0 | 0 | 0 | 112 | L120 Q124 R125 Y126 W144 | L120-D122 PolarHBondContact O-N 3.31Å; D122-Q124 PolarHBondContact O-N 3.17Å; D122-R125 PolarHBondContact O-N 3.49Å; D122-R125 IonicContact OD1-CZ 3.73Å; D122-R125 IonicContact OD1-NE 2.76Å; D122-R125 PolarHBondContact OD1-NE 2.84Å; D122-R125 VanDerWaalsContact OD1-NE 3.13Å; D122-R125 IonicContact OD1-NH2 3.29Å; D122-R125 PolarHBondContact OD1-NH2 3.45Å; D122-Y126 HydrophobicContact CB-CD2 4.15Å; D122-Y126 HydrophobicContact CB-CE2 3.8Å; D122-Y126 WeakPolarHBondContact O-CB 3.44Å; D122-Y126 WeakPolarHBondContact O-CD2 3.38Å; D122-Y126 PolarHBondContact O-N 2.98Å; D122-W144 WeakPolarHBondContact OD1-CZ2 3.21Å; D122-W144 PolarHBondContact OD1-NE1 3.26Å |
| 123 | Y | 77 | Confident | 88.9 | Confident | 31 Ų | 31 | 27.4 Ų | 27.4 | 12% | 0.122 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -56.8 | -49.5 | 175.1 | 177.2 | -82.6 | 0 | 0 | 0 | 111.4 | M50 S79 S121 R127 | M50-Y123 HydrophobicContact CG-CE1 4Å; M50-Y123 HydrophobicContact SD-CD1 3.93Å; M50-Y123 HydrophobicContact SD-CE1 3.68Å; S79-Y123 PolarHBondContact OG-OH 2.8Å; S121-Y123 PolarHBondContact O-N 3.4Å; Y123-R127 VanDerWaalsContact CD2-CZ 3.44Å; Y123-R127 VanDerWaalsContact CE2-NH1 3.29Å; Y123-R127 VanDerWaalsContact CG-NH1 3.28Å; Y123-R127 VanDerWaalsContact CZ-NH2 3.29Å; Y123-R127 WeakPolarHBondContact O-CD 3.26Å; Y123-R127 WeakPolarHBondContact O-CG 3.32Å; Y123-R127 PolarHBondContact O-NH1 3.22Å; Y123-R127 PolarHBondContact OH-NE 3.43Å; Y123-R127 PolarHBondContact OH-NH2 3.26Å |
| 124 | Q | 83.9 | Confident | 88.7 | Confident | 51 Ų | 51 | 30.5 Ų | 30.5 | 24% | 0.238 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -69 | -45.8 | 178.4 | -71.8 | 171.7 | -15.2 | 0 | 0 | 111 | M50 A118 S121 D122 Y126 R127 V128 | M50-Q124 HydrophobicContact CE-CB 4.39Å; M50-Q124 HydrophobicContact CE-CG 4.43Å; M50-Q124 HydrophobicContact SD-CB 4.18Å; M50-Q124 HydrophobicContact SD-CG 3.81Å; A118-Q124 HydrophobicContact CB-CB 4.05Å; A118-Q124 VanDerWaalsContact CB-OE1 3.3Å; S121-Q124 PolarHBondContact O-N 2.83Å; S121-Q124 WeakPolarHBondContact OG-CG 3.32Å; S121-Q124 PolarHBondContact OG-N 2.72Å; D122-Q124 PolarHBondContact O-N 3.17Å; Q124-Y126 PolarHBondContact O-N 3.1Å; Q124-R127 PolarHBondContact O-N 3.35Å; Q124-V128 WeakPolarHBondContact O-CG2 3.43Å; Q124-V128 PolarHBondContact O-N 3.24Å; Q124-V128 VanDerWaalsContact O-N 3.08Å |
| 125 | R | 84.3 | Confident | 88.6 | Confident | 15 Ų | 15 | 32 Ų | 32 | 6% | 0.057 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -57 | -50.2 | 180 | -176.1 | -179 | 62.9 | 88.1 | -4.6 | 112.2 | S121 D122 R127 V128 E129 W144 | S121-R125 PolarHBondContact O-N 3.46Å; D122-R125 PolarHBondContact O-N 3.49Å; D122-R125 IonicContact OD1-CZ 3.73Å; D122-R125 IonicContact OD1-NE 2.76Å; D122-R125 PolarHBondContact OD1-NE 2.84Å; D122-R125 VanDerWaalsContact OD1-NE 3.13Å; D122-R125 IonicContact OD1-NH2 3.29Å; D122-R125 PolarHBondContact OD1-NH2 3.45Å; R125-R127 PolarHBondContact O-N 2.95Å; R125-V128 PolarHBondContact O-N 3.34Å; R125-E129 WeakPolarHBondContact CD-OE1 3.46Å; R125-E129 HydrophobicContact CG-CG 4.22Å; R125-E129 WeakPolarHBondContact CG-OE1 3.43Å; R125-E129 IonicContact CZ-OE1 2.74Å; R125-E129 IonicContact NE-OE1 3.5Å; R125-E129 VanDerWaalsContact NH1-CD 3.27Å; R125-E129 IonicContact NH1-OE1 3.46Å; R125-E129 PolarHBondContact NH1-OE1 3.28Å; R125-E129 IonicContact NH1-OE2 2.64Å; R125-E129 PolarHBondContact NH1-OE2 2.66Å; R125-E129 WeakPolarHBondContact O-CB 3.38Å; R125-E129 WeakPolarHBondContact O-CG 3.23Å; R125-E129 PolarHBondContact O-N 3.44Å; R125-W144 VanDerWaalsContact CD-CE2 3.47Å; R125-W144 VanDerWaalsContact NE-CZ2 3.27Å |
| 126 | Y | 85.3 | Confident | 88.3 | Confident | 62 Ų | 62 | 35.3 Ų | 35.3 | 24% | 0.243 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -62.3 | -30 | -178.3 | -72.5 | -46.8 | 0 | 0 | 0 | 113.3 | M84 L85 D122 Q124 N130 | M84-Y126 WeakPolarHBondContact O-CD2 3.36Å; L85-Y126 HydrophobicContact CD2-CD1 4.31Å; L85-Y126 HydrophobicContact CD2-CD2 4.17Å; L85-Y126 HydrophobicContact CD2-CE1 4.22Å; L85-Y126 HydrophobicContact CD2-CE2 4.1Å; L85-Y126 HydrophobicContact CD2-CG 4.3Å; D122-Y126 HydrophobicContact CB-CD2 4.15Å; D122-Y126 HydrophobicContact CB-CE2 3.8Å; D122-Y126 WeakPolarHBondContact O-CB 3.44Å; D122-Y126 WeakPolarHBondContact O-CD2 3.38Å; D122-Y126 PolarHBondContact O-N 2.98Å; Q124-Y126 PolarHBondContact O-N 3.1Å; Y126-N130 VanDerWaalsContact O-CB 3.23Å; Y126-N130 WeakPolarHBondContact O-CB 3.42Å; Y126-N130 PolarHBondContact O-N 3.44Å |
| 127 | R | 90.1 | Very high | 88.2 | Confident | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -73.1 | -46.7 | 176.9 | -75.1 | 167.4 | 175.2 | 67 | 5.8 | 111.5 | M50 C81 R83 Y86 V94 Y123 Q124 R125 N130 V131 | M50-R127 HydrophobicContact CE-CB 3.71Å; M50-R127 HydrophobicContact SD-CB 3.99Å; M50-R127 WeakPolarHBondContact SD-CD 3.43Å; M50-R127 HydrophobicContact SD-CG 4.2Å; C81-R127 PolarHBondContact O-NH2 3.18Å; R83-R127 PolarHBondContact O-NH1 3.33Å; R83-R127 PolarHBondContact O-NH2 3.05Å; Y86-R127 HydrophobicContact CD2-CG 3.67Å; Y86-R127 HydrophobicContact CE2-CG 4.44Å; Y86-R127 HydrophobicContact CG-CG 3.81Å; V94-R127 HydrophobicContact CG1-CB 4.09Å; V94-R127 HydrophobicContact CG1-CG 4.38Å; V94-R127 HydrophobicContact CG2-CB 3.84Å; V94-R127 VanDerWaalsContact CG2-CD 3.43Å; V94-R127 HydrophobicContact CG2-CG 3.61Å; Y123-R127 VanDerWaalsContact CD2-CZ 3.44Å; Y123-R127 VanDerWaalsContact CE2-NH1 3.29Å; Y123-R127 VanDerWaalsContact CG-NH1 3.28Å; Y123-R127 VanDerWaalsContact CZ-NH2 3.29Å; Y123-R127 WeakPolarHBondContact O-CD 3.26Å; Y123-R127 WeakPolarHBondContact O-CG 3.32Å; Y123-R127 PolarHBondContact O-NH1 3.22Å; Y123-R127 PolarHBondContact OH-NE 3.43Å; Y123-R127 PolarHBondContact OH-NH2 3.26Å; Q124-R127 PolarHBondContact O-N 3.35Å; R125-R127 PolarHBondContact O-N 2.95Å; R127-N130 PolarHBondContact O-N 3.44Å; R127-V131 WeakPolarHBondContact O-CG2 3.04Å; R127-V131 PolarHBondContact O-N 3.38Å |
| 128 | V | 91.9 | Very high | 88.3 | Confident | 6 Ų | 6 | 43.4 Ų | 43.4 | 4% | 0.036 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -62.3 | -45.2 | 175 | 178.6 | 0 | 0 | 0 | 0 | 110.7 | L6 M50 L97 Q124 R125 N130 V131 T132 | L6-V128 HydrophobicContact CD1-CG1 4.16Å; L6-V128 HydrophobicContact CD1-CG2 3.9Å; M50-V128 HydrophobicContact CE-CG2 4.37Å; L97-V128 HydrophobicContact CD2-CG2 4.29Å; Q124-V128 WeakPolarHBondContact O-CG2 3.43Å; Q124-V128 PolarHBondContact O-N 3.24Å; Q124-V128 VanDerWaalsContact O-N 3.08Å; R125-V128 PolarHBondContact O-N 3.34Å; V128-N130 VanDerWaalsContact C-N 3.31Å; V128-N130 PolarHBondContact O-N 3.19Å; V128-V131 PolarHBondContact O-N 3.27Å; V128-T132 HydrophobicContact CG1-CG2 4.21Å; V128-T132 WeakPolarHBondContact O-CB 3.16Å; V128-T132 VanDerWaalsContact O-CG2 3.32Å; V128-T132 WeakPolarHBondContact O-CG2 3.26Å; V128-T132 PolarHBondContact O-N 3.39Å; V128-T132 PolarHBondContact O-OG1 2.84Å |
| 129 | E | 88.9 | Confident | 88.6 | Confident | 51 Ų | 51 | 44.6 Ų | 44.6 | 24% | 0.238 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -61.5 | -37.4 | 175.8 | -77.6 | -176.4 | -167.1 | 0 | 0 | 112.4 | R125 T132 R133 R341 | R125-E129 WeakPolarHBondContact CD-OE1 3.46Å; R125-E129 HydrophobicContact CG-CG 4.22Å; R125-E129 WeakPolarHBondContact CG-OE1 3.43Å; R125-E129 IonicContact CZ-OE1 2.74Å; R125-E129 IonicContact NE-OE1 3.5Å; R125-E129 VanDerWaalsContact NH1-CD 3.27Å; R125-E129 IonicContact NH1-OE1 3.46Å; R125-E129 PolarHBondContact NH1-OE1 3.28Å; R125-E129 IonicContact NH1-OE2 2.64Å; R125-E129 PolarHBondContact NH1-OE2 2.66Å; R125-E129 WeakPolarHBondContact O-CB 3.38Å; R125-E129 WeakPolarHBondContact O-CG 3.23Å; R125-E129 PolarHBondContact O-N 3.44Å; E129-T132 VanDerWaalsContact CA-OG1 3.26Å; E129-T132 WeakPolarHBondContact CA-OG1 3.42Å; E129-T132 PolarHBondContact O-OG1 3.22Å; E129-T132 VanDerWaalsContact O-OG1 3.12Å; E129-R133 WeakPolarHBondContact O-CB 3.06Å; E129-R133 PolarHBondContact O-N 2.67Å; E129-R341 IonicContact OE2-NH2 2.69Å; E129-R341 PolarHBondContact OE2-NH2 3.15Å |
| 130 | N | 92.2 | Very high | 89 | Confident | 17 Ų | 17 | 45.2 Ų | 45.2 | 9% | 0.091 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -65.7 | -46.7 | 177.2 | -176.2 | -75.2 | 0 | 0 | 0 | 111.9 | Y86 Y126 R127 V128 R134 | Y86-N130 HydrophobicContact CD1-CB 3.87Å; Y126-N130 VanDerWaalsContact O-CB 3.23Å; Y126-N130 WeakPolarHBondContact O-CB 3.42Å; Y126-N130 PolarHBondContact O-N 3.44Å; R127-N130 PolarHBondContact O-N 3.44Å; V128-N130 VanDerWaalsContact C-N 3.31Å; V128-N130 PolarHBondContact O-N 3.19Å; N130-R134 WeakPolarHBondContact O-CG 3.32Å; N130-R134 PolarHBondContact O-N 3.13Å; N130-R134 VanDerWaalsContact O-N 3.16Å; N130-R134 PolarHBondContact OD1-NE 3.03Å; N130-R134 PolarHBondContact OD1-NH2 2.95Å |
| 131 | V | 93.4 | Very high | 89.6 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -63.7 | -51.2 | 178.2 | 174 | 0 | 0 | 0 | 0 | 110.6 | V94 L97 Y98 L101 R127 V128 R133 R134 L135 | V94-V131 HydrophobicContact CG1-CG2 3.55Å; L97-V131 HydrophobicContact CD2-CB 4.49Å; L97-V131 HydrophobicContact CD2-CG2 4.27Å; L97-V131 HydrophobicContact CG-CG1 4.24Å; L97-V131 HydrophobicContact CG-CG2 4.42Å; Y98-V131 HydrophobicContact CD2-CG1 4.14Å; L101-V131 HydrophobicContact CD1-CG1 3.69Å; R127-V131 WeakPolarHBondContact O-CG2 3.04Å; R127-V131 PolarHBondContact O-N 3.38Å; V128-V131 PolarHBondContact O-N 3.27Å; V131-R133 VanDerWaalsContact C-N 3.34Å; V131-R133 PolarHBondContact O-N 3.45Å; V131-R134 PolarHBondContact O-N 3.29Å; V131-R134 VanDerWaalsContact O-N 3.13Å; V131-L135 HydrophobicContact CG1-CD1 3.98Å; V131-L135 WeakPolarHBondContact O-CG 3.37Å; V131-L135 PolarHBondContact O-N 3.25Å; V131-L135 VanDerWaalsContact O-N 3.12Å |
| 132 | T | 92.2 | Very high | 90.3 | Very high | 4 Ų | 4 | 42.2 Ų | 42.2 | 3% | 0.025 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -59.3 | -43 | 179.8 | 50.3 | 0 | 0 | 0 | 0 | 111.9 | V114 V128 E129 R134 L135 G136 L137 | V114-T132 HydrophobicContact CB-CG2 3.63Å; V114-T132 HydrophobicContact CG1-CG2 4.39Å; V114-T132 HydrophobicContact CG2-CG2 3.75Å; V128-T132 HydrophobicContact CG1-CG2 4.21Å; V128-T132 WeakPolarHBondContact O-CB 3.16Å; V128-T132 VanDerWaalsContact O-CG2 3.32Å; V128-T132 WeakPolarHBondContact O-CG2 3.26Å; V128-T132 PolarHBondContact O-N 3.39Å; V128-T132 PolarHBondContact O-OG1 2.84Å; E129-T132 VanDerWaalsContact CA-OG1 3.26Å; E129-T132 WeakPolarHBondContact CA-OG1 3.42Å; E129-T132 PolarHBondContact O-OG1 3.22Å; E129-T132 VanDerWaalsContact O-OG1 3.12Å; T132-R134 PolarHBondContact O-N 3.17Å; T132-L135 CarbonylContact O-C 3.55Å; T132-L135 PolarHBondContact O-N 3.47Å; T132-L135 VanDerWaalsContact O-N 3.12Å; T132-G136 PolarHBondContact O-N 3.49Å; T132-L137 CarbonylContact C-O 3.6Å; T132-L137 HydrophobicContact CG2-CB 4.26Å; T132-L137 PolarHBondContact O-N 2.92Å |
| 133 | R | 91.9 | Very high | 91.1 | Very high | 127 Ų | 127 | 39.6 Ų | 39.6 | 48% | 0.479 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -58.6 | -44.1 | 175 | -177.4 | -178.9 | 64.2 | 173.5 | -5.5 | 112.5 | E129 V131 L135 G136 L343 | E129-R133 WeakPolarHBondContact O-CB 3.06Å; E129-R133 PolarHBondContact O-N 2.67Å; V131-R133 VanDerWaalsContact C-N 3.34Å; V131-R133 PolarHBondContact O-N 3.45Å; R133-L135 PolarHBondContact O-N 3.14Å; R133-G136 PolarHBondContact O-N 3.39Å; R133-L343 VanDerWaalsContact NH1-C 3.26Å; R133-L343 PolarHBondContact NH1-O 2.93Å |
| 134 | R | 94.4 | Very high | 91.7 | Very high | 65 Ų | 65 | 42.1 Ų | 42.1 | 25% | 0.245 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -64.7 | -27.7 | 178.1 | -74.5 | -175.8 | -70.9 | 164.5 | -4.9 | 112.8 | E95 Y98 N130 V131 T132 | E95-R134 VanDerWaalsContact CD-NH1 3.3Å; E95-R134 IonicContact OE1-CZ 2.86Å; E95-R134 VanDerWaalsContact OE1-CZ 3.29Å; E95-R134 IonicContact OE1-NH1 3.55Å; E95-R134 PolarHBondContact OE1-NH1 3.32Å; E95-R134 IonicContact OE1-NH2 2.67Å; E95-R134 PolarHBondContact OE1-NH2 3.34Å; E95-R134 IonicContact OE2-CZ 3.28Å; E95-R134 IonicContact OE2-NH1 2.72Å; E95-R134 PolarHBondContact OE2-NH1 3.41Å; E95-R134 IonicContact OE2-NH2 2.86Å; Y98-R134 HydrophobicContact CD2-CB 4.39Å; Y98-R134 HydrophobicContact CE2-CB 3.89Å; N130-R134 WeakPolarHBondContact O-CG 3.32Å; N130-R134 PolarHBondContact O-N 3.13Å; N130-R134 VanDerWaalsContact O-N 3.16Å; N130-R134 PolarHBondContact OD1-NE 3.03Å; N130-R134 PolarHBondContact OD1-NH2 2.95Å; V131-R134 PolarHBondContact O-N 3.29Å; V131-R134 VanDerWaalsContact O-N 3.13Å; T132-R134 PolarHBondContact O-N 3.17Å |
| 135 | L | 94.7 | Very high | 91.7 | Very high | 31 Ų | 31 | 44.4 Ų | 44.4 | 16% | 0.162 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.1 | 2.1 | 178.2 | -63.9 | 176.8 | 0 | 0 | 0 | 113.6 | Y98 L101 C102 L105 V131 T132 R133 L137 | Y98-L135 HydrophobicContact CD2-CD1 4.25Å; Y98-L135 HydrophobicContact CD2-CD2 3.97Å; Y98-L135 HydrophobicContact CD2-CG 3.97Å; Y98-L135 HydrophobicContact CE2-CD1 4.42Å; Y98-L135 HydrophobicContact CE2-CD2 3.34Å; Y98-L135 HydrophobicContact CE2-CG 3.71Å; L101-L135 HydrophobicContact CB-CD1 3.46Å; L101-L135 VanDerWaalsContact CB-CD1 3.46Å; L101-L135 HydrophobicContact CD1-CD1 4.15Å; L101-L135 HydrophobicContact CG-CD1 4.47Å; C102-L135 VanDerWaalsContact SG-CD2 3.56Å; L105-L135 HydrophobicContact CD1-CB 4.07Å; L105-L135 HydrophobicContact CD1-CD1 4.31Å; L105-L135 HydrophobicContact CD1-CD2 4.27Å; L105-L135 HydrophobicContact CD1-CG 4.45Å; V131-L135 HydrophobicContact CG1-CD1 3.98Å; V131-L135 WeakPolarHBondContact O-CG 3.37Å; V131-L135 PolarHBondContact O-N 3.25Å; V131-L135 VanDerWaalsContact O-N 3.12Å; T132-L135 CarbonylContact O-C 3.55Å; T132-L135 PolarHBondContact O-N 3.47Å; T132-L135 VanDerWaalsContact O-N 3.12Å; R133-L135 PolarHBondContact O-N 3.14Å; L135-L137 HydrophobicContact CB-CD1 4.06Å; L135-L137 HydrophobicContact CB-CG 3.95Å; L135-L137 HydrophobicContact CD1-CD1 4.36Å; L135-L137 PolarHBondContact O-N 3.06Å |
| 136 | G | 93.5 | Very high | 92 | Very high | 70 Ų | 70 | 45.3 Ų | 45.3 | 72% | 0.722 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 69.4 | 19 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | T132 R133 | T132-G136 PolarHBondContact O-N 3.49Å; R133-G136 PolarHBondContact O-N 3.39Å |
| 137 | L | 94.1 | Very high | 92.2 | Very high | 15 Ų | 15 | 44.4 Ų | 44.4 | 8% | 0.079 | 22% | 0.219 | C | C | . | . | P | Polyproline II helix | trans | -96.4 | 158.3 | -179.5 | -55.6 | 179.1 | 0 | 0 | 0 | 111.9 | L105 V111 V114 T132 L135 | L105-L137 HydrophobicContact CD1-CD1 4.13Å; L105-L137 HydrophobicContact CD1-CD2 4.48Å; L105-L137 HydrophobicContact CD1-CG 4.47Å; L105-L137 HydrophobicContact CD2-CD1 4.34Å; L105-L137 HydrophobicContact CD2-CD2 3.9Å; L105-L137 HydrophobicContact CG-CD1 4.5Å; V111-L137 HydrophobicContact CG1-CD2 4.35Å; V111-L137 VanDerWaalsContact O-CD2 3.3Å; V111-L137 WeakPolarHBondContact O-CD2 3.49Å; V114-L137 HydrophobicContact CG2-CB 4.49Å; V114-L137 HydrophobicContact CG2-CD1 3.63Å; T132-L137 CarbonylContact C-O 3.6Å; T132-L137 HydrophobicContact CG2-CB 4.26Å; T132-L137 PolarHBondContact O-N 2.92Å; L135-L137 HydrophobicContact CB-CD1 4.06Å; L135-L137 HydrophobicContact CB-CG 3.95Å; L135-L137 HydrophobicContact CD1-CD1 4.36Å; L135-L137 PolarHBondContact O-N 3.06Å |
| 138 | R | 94.9 | Very high | 92.2 | Very high | 178 Ų | 178 | 45.8 Ų | 45.8 | 67% | 0.672 | 23% | 0.225 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 138.7 | 170.8 | -61.4 | -62.9 | -173.6 | -178.9 | -0.5 | 111.2 | M1 T112 A113 V114 | M1-R138 HydrophobicContact SD-CB 4.36Å; M1-R138 HydrophobicContact SD-CG 4.18Å; T112-R138 PolarHBondContact O-N 3.32Å; A113-R138 CarbonylContact C-O 3.57Å; A113-R138 WeakPolarHBondContact CA-O 3.38Å; A113-R138 HydrophobicContact CB-CB 4.16Å; A113-R138 WeakPolarHBondContact CB-O 3.43Å; V114-R138 PolarHBondContact N-O 3.01Å |
| 139 | S | 94.9 | Very high | 92.2 | Very high | 34 Ų | 34 | 49.6 Ų | 49.6 | 24% | 0.238 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 129.1 | 171.3 | -162 | 0 | 0 | 0 | 0 | 110.6 | V114 C141 | V114-S139 CarbonylContact O-C 3.58Å; V114-S139 WeakPolarHBondContact O-CA 3.47Å; S139-C141 PolarHBondContact OG-SG 3.16Å |
| 140 | L | 95.6 | Very high | 92.3 | Very high | 14 Ų | 14 | 52 Ų | 52 | 7% | 0.073 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 89.7 | 178.8 | -61 | 174.7 | 0 | 0 | 0 | 110.2 | M1 F3 N16 A113 V114 S115 S116 F142 | M1-L140 HydrophobicContact CE-CD2 3.85Å; F3-L140 HydrophobicContact CB-CD1 3.82Å; F3-L140 HydrophobicContact CG-CD1 4.09Å; N16-L140 PolarHBondContact ND2-O 3.38Å; A113-L140 HydrophobicContact CB-CD1 3.6Å; A113-L140 HydrophobicContact CB-CG 3.93Å; V114-L140 PolarHBondContact O-N 2.99Å; S115-L140 VanDerWaalsContact CA-O 3.27Å; S115-L140 WeakPolarHBondContact CA-O 3.46Å; S115-L140 WeakPolarHBondContact CB-O 3.34Å; S116-L140 PolarHBondContact N-O 3.12Å; L140-F142 HydrophobicContact CB-CD2 4.44Å; L140-F142 HydrophobicContact CB-CE2 4.11Å; L140-F142 HydrophobicContact CD2-CE2 4.19Å; L140-F142 HydrophobicContact CD2-CZ 4.49Å |
| 141 | C | 92.6 | Very high | 92.5 | Very high | 27 Ų | 27 | 51.1 Ų | 51.1 | 18% | 0.182 | 25% | 0.249 | C | C | . | . | trans | -115.5 | 69.8 | -177.8 | -49.4 | 0 | 0 | 0 | 0 | 110.1 | S116 S139 L143 W144 | S116-C141 PolarHBondContact OG-SG 3.46Å; S139-C141 PolarHBondContact OG-SG 3.16Å; C141-L143 PolarHBondContact O-N 2.83Å; C141-W144 HydrophobicContact CB-CB 4.14Å; C141-W144 WeakPolarHBondContact O-CB 3.35Å; C141-W144 PolarHBondContact O-N 3.41Å; C141-W144 VanDerWaalsContact O-N 3.16Å | ||
| 142 | F | 93.4 | Very high | 92.6 | Very high | 34 Ų | 34 | 51.2 Ų | 51.2 | 15% | 0.149 | 25% | 0.25 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -18.7 | -173.6 | -75.7 | -81.5 | 0 | 0 | 0 | 113.7 | N16 E19 C20 H23 H25 L140 R293 | N16-F142 WeakPolarHBondContact OD1-CB 3.4Å; N16-F142 PolarHBondContact OD1-N 2.89Å; E19-F142 HydrophobicContact CB-CB 3.77Å; E19-F142 HydrophobicContact CB-CD2 4.25Å; E19-F142 HydrophobicContact CB-CG 4.05Å; E19-F142 HydrophobicContact CG-CB 4.28Å; C20-F142 HydrophobicContact CB-CE2 4.29Å; H23-F142 HydrophobicContact CB-CE1 4.01Å; H23-F142 HydrophobicContact CB-CZ 3.68Å; H23-F142 AromaticContact CD2-CE1 3.51Å; H23-F142 AromaticContact CE1-CD1 3.82Å; H23-F142 AromaticContact CE1-CE1 3.73Å; H23-F142 AromaticContact CG-CE1 3.42Å; H23-F142 VanDerWaalsContact CG-CE1 3.42Å; H23-F142 AromaticContact CG-CZ 3.63Å; H23-F142 AromaticContact ND1-CD1 3.9Å; H23-F142 AromaticContact ND1-CE1 3.55Å; H23-F142 AromaticContact ND1-CZ 3.94Å; H23-F142 AromaticContact NE2-CE1 3.71Å; H25-F142 AromaticContact NE2-CZ 3.88Å; L140-F142 HydrophobicContact CB-CD2 4.44Å; L140-F142 HydrophobicContact CB-CE2 4.11Å; L140-F142 HydrophobicContact CD2-CE2 4.19Å; L140-F142 HydrophobicContact CD2-CZ 4.49Å; F142-R293 PolarHBondContact O-NH1 2.89Å; F142-R293 PolarHBondContact O-NH2 2.86Å; F142-R293 VanDerWaalsContact O-NH2 3.13Å |
| 143 | L | 94.7 | Very high | 92.6 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.3 | -11.3 | 179.4 | -46.8 | -167.3 | 0 | 0 | 0 | 112.6 | D12 Y15 N16 E19 I119 C141 Q145 R146 L151 | D12-L143 HydrophobicContact CB-CD1 4.09Å; D12-L143 VanDerWaalsContact O-CD1 3.3Å; D12-L143 WeakPolarHBondContact O-CD1 3.34Å; Y15-L143 HydrophobicContact CD1-CD1 4.05Å; Y15-L143 HydrophobicContact CD1-CD2 3.43Å; Y15-L143 VanDerWaalsContact CD1-CD2 3.43Å; Y15-L143 HydrophobicContact CD1-CG 4.41Å; Y15-L143 HydrophobicContact CE1-CD2 3.63Å; N16-L143 HydrophobicContact CB-CD1 3.98Å; N16-L143 HydrophobicContact CB-CD2 4.44Å; N16-L143 HydrophobicContact CB-CG 3.93Å; E19-L143 HydrophobicContact CG-CD2 4.15Å; I119-L143 HydrophobicContact CG1-CB 4.04Å; I119-L143 HydrophobicContact CG1-CD1 4.38Å; I119-L143 WeakPolarHBondContact CG2-O 3.41Å; C141-L143 PolarHBondContact O-N 2.83Å; L143-Q145 PolarHBondContact O-N 3.03Å; L143-R146 WeakPolarHBondContact O-CB 3.46Å; L143-R146 WeakPolarHBondContact O-CG 3.17Å; L143-R146 PolarHBondContact O-N 2.94Å; L143-R146 VanDerWaalsContact O-N 3.07Å; L143-L151 HydrophobicContact CB-CD2 4.25Å; L143-L151 HydrophobicContact CD1-CD1 4.47Å; L143-L151 HydrophobicContact CD1-CD2 4.35Å; L143-L151 HydrophobicContact CD2-CD1 3.99Å |
| 144 | W | 89.2 | Confident | 92.8 | Very high | 83 Ų | 83 | 46.9 Ų | 46.9 | 31% | 0.314 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61 | 128.9 | -174.3 | -174.7 | 62.9 | 0 | 0 | 0 | 111.9 | I119 D122 R125 C141 R146 | I119-W144 CarbonylContact O-C 3.54Å; I119-W144 WeakPolarHBondContact O-CA 3.45Å; D122-W144 WeakPolarHBondContact OD1-CZ2 3.21Å; D122-W144 PolarHBondContact OD1-NE1 3.26Å; R125-W144 VanDerWaalsContact CD-CE2 3.47Å; R125-W144 VanDerWaalsContact NE-CZ2 3.27Å; C141-W144 HydrophobicContact CB-CB 4.14Å; C141-W144 WeakPolarHBondContact O-CB 3.35Å; C141-W144 PolarHBondContact O-N 3.41Å; C141-W144 VanDerWaalsContact O-N 3.16Å; W144-R146 PolarHBondContact O-N 3.48Å |
| 145 | Q | 84.6 | Confident | 92.9 | Very high | 100 Ų | 100 | 43.8 Ų | 43.8 | 47% | 0.467 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.1 | 26.3 | -175.8 | -62.1 | -173.6 | -2.5 | 0 | 0 | 114.9 | I119 L143 | I119-Q145 PolarHBondContact O-N 3.5Å; L143-Q145 PolarHBondContact O-N 3.03Å |
| 146 | R | 89.2 | Confident | 93 | Very high | 34 Ų | 34 | 44 Ų | 44 | 13% | 0.128 | 23% | 0.226 | C | C | . | . | trans | -72.1 | 151.2 | 165.3 | -68.9 | -160.2 | 66.3 | -171.2 | -13.1 | 110.3 | Y15 E19 L143 W144 Q148 L151 D154 | Y15-R146 PolarHBondContact OH-NH1 3.23Å; E19-R146 IonicContact OE1-NH1 2.58Å; E19-R146 PolarHBondContact OE1-NH1 2.89Å; L143-R146 WeakPolarHBondContact O-CB 3.46Å; L143-R146 WeakPolarHBondContact O-CG 3.17Å; L143-R146 PolarHBondContact O-N 2.94Å; L143-R146 VanDerWaalsContact O-N 3.07Å; W144-R146 PolarHBondContact O-N 3.48Å; R146-Q148 PolarHBondContact O-N 3.22Å; R146-L151 HydrophobicContact CB-CD2 4.49Å; R146-D154 IonicContact CZ-OD2 3.82Å; R146-D154 IonicContact NH1-OD2 3.74Å; R146-D154 PolarHBondContact NH1-OD2 3.38Å; R146-D154 IonicContact NH2-OD2 3.71Å; R146-D154 PolarHBondContact NH2-OD2 3.49Å | ||
| 147 | S | 90.8 | Very high | 93.1 | Very high | 42 Ų | 42 | 41.1 Ų | 41.1 | 29% | 0.294 | 20% | 0.195 | S | C | . | . | trans | -61 | 128.3 | 167.1 | 158.7 | 0 | 0 | 0 | 0 | 108.1 | E149 E150 L151 | S147-E149 VanDerWaalsContact C-N 3.35Å; S147-E149 PolarHBondContact OG-OE2 3.39Å; S147-E149 VanDerWaalsContact OG-OE2 3.11Å; S147-E150 PolarHBondContact OG-N 3.33Å; S147-L151 WeakPolarHBondContact O-CB 3.42Å; S147-L151 PolarHBondContact O-N 2.8Å | ||
| 148 | Q | 88.7 | Confident | 93.2 | Very high | 30 Ų | 30 | 40.5 Ų | 40.5 | 14% | 0.14 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -73.9 | -31.5 | -174.6 | -63 | -175.6 | 88 | 0 | 0 | 111.2 | I119 R146 L152 N200 V201 C202 | I119-Q148 HydrophobicContact CG2-CG 4.09Å; R146-Q148 PolarHBondContact O-N 3.22Å; Q148-L152 WeakPolarHBondContact O-CB 3.38Å; Q148-L152 PolarHBondContact O-N 3.12Å; Q148-N200 PolarHBondContact NE2-ND2 3.23Å; Q148-N200 PolarHBondContact OE1-ND2 3.29Å; Q148-N200 PolarHBondContact OE1-OD1 3.06Å; Q148-V201 VanDerWaalsContact C-CG2 3.46Å; Q148-V201 HydrophobicContact CB-CG2 3.58Å; Q148-V201 WeakPolarHBondContact O-CG2 3.21Å; Q148-C202 HydrophobicContact CB-CB 4.36Å; Q148-C202 PolarHBondContact O-SG 3.02Å |
| 149 | E | 91.5 | Very high | 93.2 | Very high | 86 Ų | 86 | 34 Ų | 34 | 40% | 0.402 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -66.2 | -50.4 | 173.4 | -60.6 | 77.5 | -170.5 | 0 | 0 | 110.9 | S147 L151 L152 E153 V201 | S147-E149 VanDerWaalsContact C-N 3.35Å; S147-E149 PolarHBondContact OG-OE2 3.39Å; S147-E149 VanDerWaalsContact OG-OE2 3.11Å; E149-L151 VanDerWaalsContact C-N 3.3Å; E149-L151 PolarHBondContact O-N 2.96Å; E149-L152 PolarHBondContact O-N 2.96Å; E149-E153 WeakPolarHBondContact O-CG 3.41Å; E149-E153 PolarHBondContact O-N 2.83Å; E149-V201 HydrophobicContact CG-CG2 4.32Å |
| 150 | E | 92.5 | Very high | 93.4 | Very high | 100 Ų | 100 | 32.6 Ų | 32.6 | 47% | 0.467 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -62.5 | -39.8 | 176.2 | -69 | 179.7 | 175.6 | 0 | 0 | 111.6 | S147 E153 D154 R284 | S147-E150 PolarHBondContact OG-N 3.33Å; E150-E153 PolarHBondContact O-N 3.26Å; E150-D154 VanDerWaalsContact O-CG 3.27Å; E150-D154 PolarHBondContact O-N 3.25Å; E150-R284 PolarHBondContact O-NH2 3.48Å |
| 151 | L | 95.3 | Very high | 93.5 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -65.5 | -44.9 | -179.7 | 177.5 | 60 | 0 | 0 | 0 | 111.7 | Y15 I119 L143 R146 S147 E149 E153 D154 I155 | Y15-L151 HydrophobicContact CD1-CD1 3.56Å; Y15-L151 HydrophobicContact CE1-CD1 3.3Å; I119-L151 HydrophobicContact CB-CD2 4.33Å; I119-L151 HydrophobicContact CD1-CD2 3.43Å; I119-L151 VanDerWaalsContact CD1-CD2 3.43Å; I119-L151 HydrophobicContact CG1-CD2 3.59Å; I119-L151 HydrophobicContact CG2-CD2 3.76Å; L143-L151 HydrophobicContact CB-CD2 4.25Å; L143-L151 HydrophobicContact CD1-CD1 4.47Å; L143-L151 HydrophobicContact CD1-CD2 4.35Å; L143-L151 HydrophobicContact CD2-CD1 3.99Å; R146-L151 HydrophobicContact CB-CD2 4.49Å; S147-L151 WeakPolarHBondContact O-CB 3.42Å; S147-L151 PolarHBondContact O-N 2.8Å; E149-L151 VanDerWaalsContact C-N 3.3Å; E149-L151 PolarHBondContact O-N 2.96Å; L151-E153 VanDerWaalsContact C-N 3.26Å; L151-E153 PolarHBondContact O-N 2.99Å; L151-D154 PolarHBondContact O-N 2.98Å; L151-I155 HydrophobicContact CD1-CD1 4.07Å; L151-I155 HydrophobicContact CD1-CG1 4.17Å; L151-I155 HydrophobicContact CG-CD1 3.91Å; L151-I155 HydrophobicContact CG-CG1 4.44Å; L151-I155 WeakPolarHBondContact O-CB 3.44Å; L151-I155 VanDerWaalsContact O-CG1 3.27Å; L151-I155 WeakPolarHBondContact O-CG1 3.37Å; L151-I155 PolarHBondContact O-N 3.27Å |
| 152 | L | 95.4 | Very high | 93.7 | Very high | 1 Ų | 1 | 33 Ų | 33 | 1% | 0.005 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -58.1 | -42.5 | 175 | 175.9 | 62.2 | 0 | 0 | 0 | 111.1 | Q148 E149 I155 V156 L182 A186 L189 V201 | Q148-L152 WeakPolarHBondContact O-CB 3.38Å; Q148-L152 PolarHBondContact O-N 3.12Å; E149-L152 PolarHBondContact O-N 2.96Å; L152-I155 PolarHBondContact O-N 2.83Å; L152-V156 HydrophobicContact CD1-CG2 4.48Å; L152-V156 WeakPolarHBondContact O-CG2 3.23Å; L152-V156 PolarHBondContact O-N 3.19Å; L152-V156 VanDerWaalsContact O-N 3.07Å; L152-L182 HydrophobicContact CD1-CD1 3.88Å; L152-L182 HydrophobicContact CD1-CD2 3.77Å; L152-L182 HydrophobicContact CD1-CG 3.92Å; L152-A186 HydrophobicContact CD1-CB 4.48Å; L152-A186 HydrophobicContact CD2-CB 4.11Å; L152-A186 HydrophobicContact CG-CB 4.24Å; L152-L189 HydrophobicContact CD2-CB 4.33Å; L152-L189 HydrophobicContact CD2-CD1 4.34Å; L152-V201 HydrophobicContact CD2-CB 4.14Å |
| 153 | E | 93.8 | Very high | 93.9 | Very high | 33 Ų | 33 | 31.5 Ų | 31.5 | 15% | 0.154 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -65.2 | -39.2 | 177 | -69.5 | -179.7 | 176.3 | 0 | 0 | 112.6 | E149 E150 L151 S157 R190 H273 R284 | E149-E153 WeakPolarHBondContact O-CG 3.41Å; E149-E153 PolarHBondContact O-N 2.83Å; E150-E153 PolarHBondContact O-N 3.26Å; L151-E153 VanDerWaalsContact C-N 3.26Å; L151-E153 PolarHBondContact O-N 2.99Å; E153-S157 WeakPolarHBondContact O-CB 3.3Å; E153-S157 PolarHBondContact O-N 3.39Å; E153-S157 PolarHBondContact O-OG 2.66Å; E153-R190 IonicContact OE1-CZ 3.8Å; E153-R190 IonicContact OE1-NH1 3.97Å; E153-R190 PolarHBondContact OE1-NH1 3.41Å; E153-H273 VanDerWaalsContact CD-CD2 3.47Å; E153-H273 IonicContact OE1-CD2 2.87Å; E153-H273 IonicContact OE1-CE1 2.95Å; E153-H273 IonicContact OE1-NE2 3.48Å; E153-H273 PolarHBondContact OE1-NE2 3.39Å; E153-H273 IonicContact OE2-CD2 3.95Å; E153-H273 PolarHBondContact OE2-CD2 2.97Å; E153-H273 IonicContact OE2-NE2 3.95Å; E153-H273 PolarHBondContact OE2-NE2 3.04Å; E153-R284 IonicContact OE2-CZ 3.25Å; E153-R284 IonicContact OE2-NE 2.61Å; E153-R284 IonicContact OE2-NH1 3.09Å; E153-R284 PolarHBondContact OE2-NH1 2.94Å |
| 154 | D | 95.8 | Very high | 94.1 | Very high | 7 Ų | 7 | 31.5 Ų | 31.5 | 4% | 0.037 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -68.1 | -41.4 | 176.4 | -71.7 | -16.2 | 0 | 0 | 0 | 111.6 | Y15 R146 E150 L151 V156 S157 A158 R284 P286 | Y15-D154 HydrophobicContact CE2-CB 4.38Å; Y15-D154 WeakPolarHBondContact OH-CB 3.49Å; R146-D154 IonicContact CZ-OD2 3.82Å; R146-D154 IonicContact NH1-OD2 3.74Å; R146-D154 PolarHBondContact NH1-OD2 3.38Å; R146-D154 IonicContact NH2-OD2 3.71Å; R146-D154 PolarHBondContact NH2-OD2 3.49Å; E150-D154 VanDerWaalsContact O-CG 3.27Å; E150-D154 PolarHBondContact O-N 3.25Å; L151-D154 PolarHBondContact O-N 2.98Å; D154-V156 PolarHBondContact O-N 3.07Å; D154-S157 CarbonylContact O-C 3.14Å; D154-S157 PolarHBondContact O-N 2.84Å; D154-A158 WeakPolarHBondContact O-CB 3.44Å; D154-A158 PolarHBondContact O-N 3.08Å; D154-R284 IonicContact OD1-CZ 3.71Å; D154-R284 IonicContact OD1-NE 3.44Å; D154-R284 PolarHBondContact OD1-NE 3.27Å; D154-R284 IonicContact OD1-NH2 3.2Å; D154-R284 PolarHBondContact OD1-NH2 3.19Å; D154-R284 IonicContact OD2-NH2 2.73Å; D154-P286 HydrophobicContact CB-CB 4.26Å; D154-P286 WeakPolarHBondContact O-CB 3.48Å |
| 155 | I | 96.9 | Very high | 94.4 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -57.8 | -48.9 | 175.7 | -74 | 169 | 0 | 0 | 0 | 110.3 | K11 Y15 L151 L152 A158 I160 L182 | K11-I155 HydrophobicContact CB-CG2 4.01Å; K11-I155 HydrophobicContact CD-CD1 4.28Å; K11-I155 HydrophobicContact CG-CD1 4.14Å; K11-I155 HydrophobicContact CG-CG2 4.5Å; Y15-I155 HydrophobicContact CD1-CD1 4.41Å; Y15-I155 HydrophobicContact CD1-CG1 3.8Å; Y15-I155 HydrophobicContact CD2-CG1 3.92Å; Y15-I155 HydrophobicContact CE1-CG1 4.37Å; Y15-I155 HydrophobicContact CE2-CG1 4.46Å; Y15-I155 HydrophobicContact CG-CD1 4.43Å; Y15-I155 HydrophobicContact CG-CG1 3.57Å; L151-I155 HydrophobicContact CD1-CD1 4.07Å; L151-I155 HydrophobicContact CD1-CG1 4.17Å; L151-I155 HydrophobicContact CG-CD1 3.91Å; L151-I155 HydrophobicContact CG-CG1 4.44Å; L151-I155 WeakPolarHBondContact O-CB 3.44Å; L151-I155 VanDerWaalsContact O-CG1 3.27Å; L151-I155 WeakPolarHBondContact O-CG1 3.37Å; L151-I155 PolarHBondContact O-N 3.27Å; L152-I155 PolarHBondContact O-N 2.83Å; I155-A158 WeakPolarHBondContact O-CB 3.28Å; I155-A158 PolarHBondContact O-N 3.47Å; I155-I160 HydrophobicContact CG2-CB 4.01Å; I155-I160 HydrophobicContact CG2-CD1 4.14Å; I155-I160 HydrophobicContact CG2-CG2 4.16Å; I155-I160 PolarHBondContact O-N 2.83Å; I155-L182 HydrophobicContact CG2-CD2 4.02Å |
| 156 | V | 95.6 | Very high | 94.9 | Very high | 35 Ų | 35 | 24 Ų | 24 | 21% | 0.212 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -65.9 | -42.8 | 177.8 | 172.5 | 0 | 0 | 0 | 0 | 110.7 | L152 D154 A158 G159 L182 A186 | L152-V156 HydrophobicContact CD1-CG2 4.48Å; L152-V156 WeakPolarHBondContact O-CG2 3.23Å; L152-V156 PolarHBondContact O-N 3.19Å; L152-V156 VanDerWaalsContact O-N 3.07Å; D154-V156 PolarHBondContact O-N 3.07Å; V156-A158 VanDerWaalsContact C-N 3.26Å; V156-A158 PolarHBondContact O-N 2.82Å; V156-G159 PolarHBondContact O-N 2.84Å; V156-G159 VanDerWaalsContact O-N 3.07Å; V156-L182 HydrophobicContact CG2-CD2 4.36Å; V156-L182 HydrophobicContact CG2-CG 4.29Å; V156-A186 HydrophobicContact CG2-CB 4.13Å |
| 157 | S | 95.6 | Very high | 95 | Very high | 10 Ų | 10 | 22.4 Ų | 22.4 | 7% | 0.07 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -69.7 | -23 | -180 | -61.5 | 0 | 0 | 0 | 0 | 113.1 | E153 D154 G159 G271 | E153-S157 WeakPolarHBondContact O-CB 3.3Å; E153-S157 PolarHBondContact O-N 3.39Å; E153-S157 PolarHBondContact O-OG 2.66Å; D154-S157 CarbonylContact O-C 3.14Å; D154-S157 PolarHBondContact O-N 2.84Å; S157-G159 PolarHBondContact O-N 3.25Å; S157-G271 VanDerWaalsContact O-CA 3.29Å; S157-G271 WeakPolarHBondContact O-CA 3.24Å; S157-G271 PolarHBondContact O-N 3.44Å |
| 158 | A | 96.7 | Very high | 94.8 | Very high | 2 Ų | 2 | 22.3 Ų | 22.3 | 2% | 0.017 | 13% | 0.128 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.4 | -6.4 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y15 M18 D154 I155 V156 I160 P216 P286 F287 | Y15-A158 HydrophobicContact CD2-CB 4.15Å; Y15-A158 HydrophobicContact CE2-CB 3.95Å; M18-A158 HydrophobicContact CE-CB 4.17Å; D154-A158 WeakPolarHBondContact O-CB 3.44Å; D154-A158 PolarHBondContact O-N 3.08Å; I155-A158 WeakPolarHBondContact O-CB 3.28Å; I155-A158 PolarHBondContact O-N 3.47Å; V156-A158 VanDerWaalsContact C-N 3.26Å; V156-A158 PolarHBondContact O-N 2.82Å; A158-I160 VanDerWaalsContact C-N 3.33Å; A158-I160 HydrophobicContact CB-CG1 4.44Å; A158-P216 VanDerWaalsContact O-CD 3.23Å; A158-P216 WeakPolarHBondContact O-CD 3.42Å; A158-P216 WeakPolarHBondContact O-CG 3.4Å; A158-P286 HydrophobicContact CB-CB 3.77Å; A158-P286 HydrophobicContact CB-CG 4.06Å; A158-F287 HydrophobicContact CB-CE2 3.93Å; A158-F287 HydrophobicContact CB-CZ 3.86Å |
| 159 | G | 95.5 | Very high | 94.4 | Very high | 43 Ų | 43 | 21.5 Ų | 21.5 | 44% | 0.443 | 13% | 0.127 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 73.1 | 25.4 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | V156 S157 D161 | V156-G159 PolarHBondContact O-N 2.84Å; V156-G159 VanDerWaalsContact O-N 3.07Å; S157-G159 PolarHBondContact O-N 3.25Å; G159-D161 PolarHBondContact O-N 2.95Å |
| 160 | I | 97.7 | Very high | 93.7 | Very high | 4 Ų | 4 | 22.4 Ų | 22.4 | 2% | 0.021 | 13% | 0.129 | C | C | . | . | trans | -72.6 | 109.7 | 167.5 | -66.9 | 176.8 | 0 | 0 | 0 | 107.8 | K11 I14 Y15 M18 I155 A158 A162 T212 C215 | K11-I160 HydrophobicContact CB-CG2 4.38Å; I14-I160 HydrophobicContact CG2-CD1 4.46Å; Y15-I160 VanDerWaalsContact CB-CD1 3.45Å; Y15-I160 HydrophobicContact CD2-CD1 3.7Å; Y15-I160 HydrophobicContact CG-CD1 4.02Å; M18-I160 HydrophobicContact SD-CD1 3.79Å; M18-I160 HydrophobicContact SD-CG1 3.88Å; I155-I160 HydrophobicContact CG2-CB 4.01Å; I155-I160 HydrophobicContact CG2-CD1 4.14Å; I155-I160 HydrophobicContact CG2-CG2 4.16Å; I155-I160 PolarHBondContact O-N 2.83Å; A158-I160 VanDerWaalsContact C-N 3.33Å; A158-I160 HydrophobicContact CB-CG1 4.44Å; I160-A162 HydrophobicContact CG2-CB 4.17Å; I160-A162 PolarHBondContact O-N 3.43Å; I160-T212 HydrophobicContact CG2-CG2 3.88Å; I160-C215 HydrophobicContact CB-CB 4.48Å; I160-C215 HydrophobicContact CG1-CB 3.9Å | ||
| 161 | D | 97.7 | Very high | 93.1 | Very high | 49 Ų | 49 | 18.6 Ų | 18.6 | 26% | 0.262 | 12% | 0.117 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 96.8 | 172.5 | -171.7 | 26.6 | 0 | 0 | 0 | 109.4 | G159 H181 T212 L213 D214 | G159-D161 PolarHBondContact O-N 2.95Å; D161-H181 IonicContact OD1-CE1 3.74Å; D161-H181 PolarHBondContact OD1-CE1 3.33Å; D161-H181 IonicContact OD1-CG 3.16Å; D161-H181 IonicContact OD1-ND1 3.01Å; D161-H181 PolarHBondContact OD1-ND1 3Å; D161-H181 IonicContact OD2-CE1 3.85Å; D161-H181 PolarHBondContact OD2-CE1 2.86Å; D161-H181 IonicContact OD2-ND1 2.83Å; D161-H181 PolarHBondContact OD2-ND1 2.84Å; D161-T212 CarbonylContact O-C 3.5Å; D161-L213 PolarHBondContact O-N 3.31Å; D161-D214 HydrophobicContact CB-CB 4.03Å; D161-D214 PolarHBondContact N-O 2.82Å; D161-D214 PolarHBondContact O-N 3.05Å |
| 162 | A | 98 | Very high | 92.7 | Very high | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 142.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | K11 I160 H181 L182 V211 | K11-A162 HydrophobicContact CB-CB 4.17Å; I160-A162 HydrophobicContact CG2-CB 4.17Å; I160-A162 PolarHBondContact O-N 3.43Å; A162-H181 CarbonylContact O-C 3.57Å; A162-H181 WeakPolarHBondContact O-CA 3.26Å; A162-L182 WeakPolarHBondContact O-CB 3.21Å; A162-L182 PolarHBondContact O-N 3.35Å; A162-V211 CarbonylContact C-O 3.54Å; A162-V211 WeakPolarHBondContact CA-O 3.48Å; A162-V211 WeakPolarHBondContact CB-O 3.44Å |
| 163 | I | 97.8 | Very high | 92.5 | Very high | 2 Ų | 2 | 20.7 Ų | 20.7 | 1% | 0.01 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 148.9 | 172.5 | 62 | 168.8 | 0 | 0 | 0 | 110.1 | I165 V180 T210 V211 L213 L224 L246 | I163-I165 HydrophobicContact CD1-CG2 4.23Å; I163-I165 HydrophobicContact CG1-CG2 3.99Å; I163-I165 PolarHBondContact O-N 2.97Å; I163-V180 WeakPolarHBondContact CA-O 3.41Å; I163-T210 WeakPolarHBondContact O-CA 3.44Å; I163-T210 WeakPolarHBondContact O-CB 3.45Å; I163-V211 HydrophobicContact CD1-CG1 4.05Å; I163-V211 HydrophobicContact CG1-CG1 3.55Å; I163-V211 PolarHBondContact N-O 2.93Å; I163-V211 PolarHBondContact O-N 2.93Å; I163-L213 HydrophobicContact CD1-CD1 4.13Å; I163-L213 HydrophobicContact CG1-CD1 4.2Å; I163-L213 HydrophobicContact CG1-CG 4.34Å; I163-L213 HydrophobicContact CG2-CD1 3.77Å; I163-L213 HydrophobicContact CG2-CG 4.49Å; I163-L224 HydrophobicContact CD1-CD1 4.09Å; I163-L246 HydrophobicContact CD1-CD2 4.49Å |
| 164 | I | 97.5 | Very high | 92.4 | Very high | 1 Ų | 1 | 20.5 Ų | 20.5 | 1% | 0.005 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 123.5 | 170.4 | -57.6 | -77.7 | 0 | 0 | 0 | 108.5 | K166 I167 F177 L178 G179 V180 I185 F208 E209 T210 | I164-K166 WeakPolarHBondContact CG2-O 3.33Å; I164-I167 HydrophobicContact CG2-CG2 3.66Å; I164-F177 VanDerWaalsContact CB-O 3.27Å; I164-F177 WeakPolarHBondContact CB-O 3.13Å; I164-L178 HydrophobicContact CG2-CD1 4.43Å; I164-G179 WeakPolarHBondContact O-CA 3.32Å; I164-G179 PolarHBondContact O-N 3.34Å; I164-V180 PolarHBondContact N-O 3.12Å; I164-V180 VanDerWaalsContact N-O 3.08Å; I164-I185 HydrophobicContact CD1-CD1 3.83Å; I164-I185 HydrophobicContact CG1-CD1 3.54Å; I164-F208 HydrophobicContact CD1-CB 4.04Å; I164-F208 HydrophobicContact CD1-CD2 3.19Å; I164-F208 HydrophobicContact CD1-CE2 3.67Å; I164-F208 HydrophobicContact CD1-CG 3.69Å; I164-F208 HydrophobicContact CG2-CB 4.2Å; I164-E209 CarbonylContact C-O 3.35Å; I164-E209 WeakPolarHBondContact CA-O 3.45Å; I164-T210 HydrophobicContact CD1-CG2 3.99Å |
| 165 | I | 96.4 | Very high | 92.3 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | -11.1 | 179.3 | 64.7 | 173.2 | 0 | 0 | 0 | 113.2 | V54 I163 E209 V211 Y243 L244 L246 | V54-I165 HydrophobicContact CB-CD1 4.42Å; V54-I165 HydrophobicContact CG1-CB 4.47Å; V54-I165 HydrophobicContact CG1-CD1 3.77Å; V54-I165 HydrophobicContact CG1-CG1 3.98Å; I163-I165 HydrophobicContact CD1-CG2 4.23Å; I163-I165 HydrophobicContact CG1-CG2 3.99Å; I163-I165 PolarHBondContact O-N 2.97Å; I165-E209 HydrophobicContact CG1-CB 4.01Å; I165-E209 PolarHBondContact N-O 3.33Å; I165-V211 HydrophobicContact CD1-CB 4.17Å; I165-V211 HydrophobicContact CG2-CB 3.88Å; I165-V211 HydrophobicContact CG2-CG1 3.49Å; I165-V211 VanDerWaalsContact CG2-CG1 3.49Å; I165-Y243 CarbonylContact O-C 3.58Å; I165-Y243 WeakPolarHBondContact O-CA 3.44Å; I165-Y243 VanDerWaalsContact O-CB 3.29Å; I165-Y243 WeakPolarHBondContact O-CB 3.5Å; I165-L244 HydrophobicContact CB-CB 4.45Å; I165-L244 PolarHBondContact O-N 3.25Å; I165-L246 HydrophobicContact CG2-CD1 4.44Å; I165-L246 HydrophobicContact CG2-CD2 4.46Å |
| 166 | K | 94.7 | Very high | 92.1 | Very high | 26 Ų | 26 | 31.3 Ų | 31.3 | 11% | 0.113 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 144.5 | 174.8 | -172.8 | -175.6 | -175.5 | -177 | 0 | 108.9 | E45 V54 I164 F208 E209 A242 | E45-K166 VanDerWaalsContact OE1-CE 3.3Å; E45-K166 WeakPolarHBondContact OE1-CE 3.42Å; E45-K166 IonicContact OE1-NZ 3.49Å; E45-K166 PolarHBondContact OE1-NZ 3.13Å; V54-K166 HydrophobicContact CG1-CB 4.43Å; V54-K166 HydrophobicContact CG2-CD 4.08Å; I164-K166 WeakPolarHBondContact CG2-O 3.33Å; K166-F208 CarbonylContact O-C 3.43Å; K166-F208 WeakPolarHBondContact O-CA 3.45Å; K166-F208 VanDerWaalsContact O-CB 3.22Å; K166-F208 WeakPolarHBondContact O-CB 3.38Å; K166-E209 HydrophobicContact CB-CB 3.7Å; K166-E209 HydrophobicContact CB-CG 3.88Å; K166-E209 HydrophobicContact CD-CG 3.78Å; K166-E209 HydrophobicContact CG-CG 4.42Å; K166-E209 PolarHBondContact N-O 3.24Å; K166-E209 PolarHBondContact O-N 3.44Å; K166-A242 WeakPolarHBondContact CA-O 3.23Å |
| 167 | I | 91.2 | Very high | 92.1 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 143.3 | 166.8 | 61.3 | 175 | 0 | 0 | 0 | 109.2 | I164 L172 T173 V174 F177 L178 E207 P240 T241 A242 | I164-I167 HydrophobicContact CG2-CG2 3.66Å; I167-L172 HydrophobicContact CB-CB 4.06Å; I167-L172 HydrophobicContact CB-CD1 4.26Å; I167-L172 HydrophobicContact CG2-CB 4.14Å; I167-L172 HydrophobicContact CG2-CD1 4.18Å; I167-T173 VanDerWaalsContact CD1-C 3.43Å; I167-T173 WeakPolarHBondContact CD1-O 3.49Å; I167-V174 HydrophobicContact CD1-CG2 3.98Å; I167-F177 HydrophobicContact CG2-CB 4.15Å; I167-L178 HydrophobicContact CG2-CD1 4.44Å; I167-E207 CarbonylContact C-O 3.53Å; I167-P240 HydrophobicContact CD1-CG 4.25Å; I167-T241 WeakPolarHBondContact O-CA 3.43Å; I167-A242 HydrophobicContact CG1-CB 4.4Å; I167-A242 PolarHBondContact N-O 3.4Å; I167-A242 PolarHBondContact O-N 3.14Å |
| 168 | A | 86.5 | Confident | 92.1 | Very high | 39 Ų | 39 | 30.6 Ų | 30.6 | 32% | 0.322 | 18% | 0.177 | S | C | . | . | trans | -153.6 | 24.1 | -179 | 0 | 0 | 0 | 0 | 0 | 113.3 | E207 T241 | A168-E207 PolarHBondContact N-O 3.01Å; A168-T241 HydrophobicContact CB-CG2 4.14Å | ||
| 169 | A | 80.4 | Confident | 92.1 | Very high | 14 Ų | 14 | 32 Ų | 32 | 12% | 0.116 | 19% | 0.192 | C | C | . | . | S | Bend | trans | -133.4 | 152.2 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | G171 L172 L199 E207 | A169-G171 PolarHBondContact O-N 3.12Å; A169-L172 HydrophobicContact CB-CD1 4.09Å; A169-L172 HydrophobicContact CB-CG 4.46Å; A169-L172 PolarHBondContact O-N 3.38Å; A169-L199 HydrophobicContact CB-CD1 3.66Å; A169-E207 HydrophobicContact CB-CB 3.55Å; A169-E207 HydrophobicContact CB-CG 3.66Å |
| 170 | F | 76.1 | Confident | 92.2 | Very high | 104 Ų | 104 | 32 Ų | 32 | 46% | 0.456 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58 | 132.1 | 174.2 | 178.9 | -102.4 | 0 | 0 | 0 | 111.3 | W197 F238 | F170-W197 AromaticContact CD1-CD1 3.55Å; F170-W197 HydrophobicContact CD1-CG 4.41Å; F170-W197 AromaticContact CE1-CD1 3.46Å; F170-W197 VanDerWaalsContact CE1-CD1 3.46Å; F170-W197 HydrophobicContact CE1-CG 4.35Å; F170-W197 AromaticContact CE1-NE1 3.76Å; F170-F238 WeakPolarHBondContact CA-O 3.43Å; F170-F238 HydrophobicContact CD2-CB 3.93Å; F170-F238 WeakPolarHBondContact CD2-O 3.4Å; F170-F238 HydrophobicContact CE2-CB 3.94Å; F170-F238 HydrophobicContact CE2-CD1 4.4Å |
| 171 | G | 81.1 | Confident | 92.2 | Very high | 20 Ų | 20 | 35.1 Ų | 35.1 | 21% | 0.206 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 91.9 | -12.3 | -176.5 | 0 | 0 | 0 | 0 | 0 | 115 | A169 | A169-G171 PolarHBondContact O-N 3.12Š|
| 172 | L | 86.3 | Confident | 92.1 | Very high | 1 Ų | 1 | 32.8 Ų | 32.8 | 1% | 0.005 | 19% | 0.185 | C | C | . | . | trans | -94.9 | 120.4 | 171.9 | -56.6 | -178.8 | 0 | 0 | 0 | 110.1 | I167 A169 F177 L189 L192 L199 E207 F208 P240 | I167-L172 HydrophobicContact CB-CB 4.06Å; I167-L172 HydrophobicContact CB-CD1 4.26Å; I167-L172 HydrophobicContact CG2-CB 4.14Å; I167-L172 HydrophobicContact CG2-CD1 4.18Å; A169-L172 HydrophobicContact CB-CD1 4.09Å; A169-L172 HydrophobicContact CB-CG 4.46Å; A169-L172 PolarHBondContact O-N 3.38Å; L172-F177 HydrophobicContact CB-CD2 4.32Å; L172-F177 HydrophobicContact CD2-CD1 3.66Å; L172-F177 HydrophobicContact CD2-CD2 4Å; L172-F177 HydrophobicContact CD2-CE1 3.64Å; L172-F177 HydrophobicContact CD2-CE2 3.97Å; L172-F177 HydrophobicContact CD2-CG 3.85Å; L172-F177 HydrophobicContact CD2-CZ 3.8Å; L172-L189 HydrophobicContact CD2-CD2 4.2Å; L172-L192 HydrophobicContact CD2-CD1 3.66Å; L172-L199 HydrophobicContact CD1-CD1 4.07Å; L172-L199 HydrophobicContact CD2-CD1 4.45Å; L172-L199 HydrophobicContact CD2-CD2 4.07Å; L172-L199 HydrophobicContact CG-CD1 4.13Å; L172-E207 HydrophobicContact CD1-CB 4.48Å; L172-E207 VanDerWaalsContact CD1-O 3.3Å; L172-E207 WeakPolarHBondContact CD1-O 3.36Å; L172-F208 HydrophobicContact CD1-CB 4.04Å; L172-F208 HydrophobicContact CD1-CD1 4.27Å; L172-P240 WeakPolarHBondContact O-CG 3.42Å | ||
| 173 | T | 91.4 | Very high | 92 | Very high | 45 Ų | 45 | 35.9 Ų | 35.9 | 28% | 0.276 | 21% | 0.207 | S | C | . | . | trans | -105.2 | 155.9 | 176.7 | 63 | 0 | 0 | 0 | 0 | 111 | I167 E175 D176 F177 | I167-T173 VanDerWaalsContact CD1-C 3.43Å; I167-T173 WeakPolarHBondContact CD1-O 3.49Å; T173-E175 VanDerWaalsContact C-N 3.28Å; T173-E175 PolarHBondContact O-N 3.39Å; T173-D176 WeakPolarHBondContact OG1-CB 3.34Å; T173-D176 PolarHBondContact OG1-N 3.04Å; T173-D176 PolarHBondContact OG1-OD2 3.35Å; T173-F177 PolarHBondContact O-N 2.66Å | ||
| 174 | V | 92.7 | Very high | 91.8 | Very high | 29 Ų | 29 | 39.1 Ų | 39.1 | 18% | 0.176 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -62.8 | -41.1 | 176.8 | 174.6 | 0 | 0 | 0 | 0 | 110 | I167 L178 I230 A242 | I167-V174 HydrophobicContact CD1-CG2 3.98Å; V174-L178 HydrophobicContact CG1-CB 4.36Å; V174-L178 HydrophobicContact CG1-CD2 4.07Å; V174-L178 WeakPolarHBondContact O-CB 3.4Å; V174-L178 PolarHBondContact O-N 2.98Å; V174-I230 HydrophobicContact CG1-CD1 4.15Å; V174-I230 HydrophobicContact CG1-CG2 4.38Å; V174-A242 HydrophobicContact CG2-CB 3.9Å |
| 175 | E | 92.8 | Very high | 91.7 | Very high | 157 Ų | 157 | 39.2 Ų | 39.2 | 73% | 0.734 | 23% | 0.23 | S | C | * | . | H | α-helix | trans | -72.6 | -35.5 | -173.7 | -61.8 | 72.6 | -159.8 | 0 | 0 | 113.3 | T173 | T173-E175 VanDerWaalsContact C-N 3.28Å; T173-E175 PolarHBondContact O-N 3.39Å |
| 176 | D | 93.2 | Very high | 91.5 | Very high | 77 Ų | 77 | 39.9 Ų | 39.9 | 41% | 0.412 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -94 | -19.4 | -175 | -70.2 | -68.8 | 0 | 0 | 0 | 114.5 | T173 K188 | T173-D176 WeakPolarHBondContact OG1-CB 3.34Å; T173-D176 PolarHBondContact OG1-N 3.04Å; T173-D176 PolarHBondContact OG1-OD2 3.35Å; D176-K188 IonicContact OD1-NZ 3.41Å; D176-K188 PolarHBondContact OD1-NZ 3.01Å |
| 177 | F | 95.4 | Very high | 91.4 | Very high | 10 Ų | 10 | 42.7 Ų | 42.7 | 4% | 0.044 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -126.1 | -43.2 | -169.8 | -66.3 | -89.8 | 0 | 0 | 0 | 113.9 | I164 I167 L172 T173 G179 V180 I185 K188 L189 L192 | I164-F177 VanDerWaalsContact CB-O 3.27Å; I164-F177 WeakPolarHBondContact CB-O 3.13Å; I167-F177 HydrophobicContact CG2-CB 4.15Å; L172-F177 HydrophobicContact CB-CD2 4.32Å; L172-F177 HydrophobicContact CD2-CD1 3.66Å; L172-F177 HydrophobicContact CD2-CD2 4Å; L172-F177 HydrophobicContact CD2-CE1 3.64Å; L172-F177 HydrophobicContact CD2-CE2 3.97Å; L172-F177 HydrophobicContact CD2-CG 3.85Å; L172-F177 HydrophobicContact CD2-CZ 3.8Å; T173-F177 PolarHBondContact O-N 2.66Å; F177-G179 PolarHBondContact O-N 2.77Å; F177-V180 WeakPolarHBondContact O-CB 3.46Å; F177-V180 WeakPolarHBondContact O-CG2 3.41Å; F177-V180 PolarHBondContact O-N 3.16Å; F177-I185 HydrophobicContact CD1-CD1 3.76Å; F177-I185 HydrophobicContact CE1-CD1 4.31Å; F177-K188 HydrophobicContact CE1-CB 4.16Å; F177-K188 HydrophobicContact CZ-CB 4.19Å; F177-K188 HydrophobicContact CZ-CD 4.27Å; F177-L189 HydrophobicContact CD1-CD2 4.26Å; F177-L189 HydrophobicContact CE1-CD2 3.93Å; F177-L192 HydrophobicContact CE1-CD1 4.09Å; F177-L192 HydrophobicContact CE2-CD1 4.27Å; F177-L192 HydrophobicContact CZ-CD1 3.52Å |
| 178 | L | 95.7 | Very high | 91.5 | Very high | 20 Ų | 20 | 45.2 Ų | 45.2 | 11% | 0.105 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | 124.5 | -171.4 | -164.3 | 67 | 0 | 0 | 0 | 110.9 | I164 I167 V174 V180 I230 A242 L244 | I164-L178 HydrophobicContact CG2-CD1 4.43Å; I167-L178 HydrophobicContact CG2-CD1 4.44Å; V174-L178 HydrophobicContact CG1-CB 4.36Å; V174-L178 HydrophobicContact CG1-CD2 4.07Å; V174-L178 WeakPolarHBondContact O-CB 3.4Å; V174-L178 PolarHBondContact O-N 2.98Å; L178-V180 PolarHBondContact O-N 3.17Å; L178-I230 HydrophobicContact CD2-CG1 4.4Å; L178-I230 HydrophobicContact CD2-CG2 3.97Å; L178-A242 HydrophobicContact CD2-CB 4.02Å; L178-L244 HydrophobicContact CD1-CD2 4.32Å; L178-L244 HydrophobicContact CD1-CG 3.89Å; L178-L244 HydrophobicContact CD2-CD2 3.55Å; L178-L244 HydrophobicContact CD2-CG 4.06Å; L178-L244 HydrophobicContact CG-CD1 4.2Å; L178-L244 HydrophobicContact CG-CD2 3.61Å; L178-L244 HydrophobicContact CG-CG 3.67Å |
| 179 | G | 96.8 | Very high | 91.8 | Very high | 31 Ų | 31 | 43.3 Ų | 43.3 | 32% | 0.32 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 80.5 | -2.1 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | I164 F177 L244 | I164-G179 WeakPolarHBondContact O-CA 3.32Å; I164-G179 PolarHBondContact O-N 3.34Å; F177-G179 PolarHBondContact O-N 2.77Å; G179-L244 VanDerWaalsContact CA-CD1 3.49Å |
| 180 | V | 97.3 | Very high | 92.3 | Very high | 42 Ų | 42 | 45.5 Ų | 45.5 | 26% | 0.255 | 25% | 0.246 | S | C | . | . | trans | -84.5 | 140.6 | -177.5 | -171.7 | 0 | 0 | 0 | 0 | 110.8 | I163 I164 F177 L178 I185 | I163-V180 WeakPolarHBondContact CA-O 3.41Å; I164-V180 PolarHBondContact N-O 3.12Å; I164-V180 VanDerWaalsContact N-O 3.08Å; F177-V180 WeakPolarHBondContact O-CB 3.46Å; F177-V180 WeakPolarHBondContact O-CG2 3.41Å; F177-V180 PolarHBondContact O-N 3.16Å; L178-V180 PolarHBondContact O-N 3.17Å; V180-I185 HydrophobicContact CB-CG2 4.14Å; V180-I185 HydrophobicContact CG1-CG2 3.46Å; V180-I185 VanDerWaalsContact CG1-CG2 3.46Å | ||
| 181 | H | 97.3 | Very high | 93 | Very high | 71 Ų | 71 | 45.6 Ų | 45.6 | 33% | 0.329 | 25% | 0.248 | S | C | . | . | B | Isolated β-bridge | trans | -65.1 | 131.8 | 176.3 | -68.1 | -96 | 0 | 0 | 0 | 111.7 | D161 A162 S183 S184 I185 | D161-H181 IonicContact OD1-CE1 3.74Å; D161-H181 PolarHBondContact OD1-CE1 3.33Å; D161-H181 IonicContact OD1-CG 3.16Å; D161-H181 IonicContact OD1-ND1 3.01Å; D161-H181 PolarHBondContact OD1-ND1 3Å; D161-H181 IonicContact OD2-CE1 3.85Å; D161-H181 PolarHBondContact OD2-CE1 2.86Å; D161-H181 IonicContact OD2-ND1 2.83Å; D161-H181 PolarHBondContact OD2-ND1 2.84Å; A162-H181 CarbonylContact O-C 3.57Å; A162-H181 WeakPolarHBondContact O-CA 3.26Å; H181-S183 VanDerWaalsContact C-N 3.25Å; H181-S183 PolarHBondContact O-N 3.33Å; H181-S184 WeakPolarHBondContact O-CA 3.44Å; H181-S184 WeakPolarHBondContact O-CB 3.35Å; H181-S184 PolarHBondContact O-N 2.58Å; H181-I185 PolarHBondContact O-N 3.44Å |
| 182 | L | 96.2 | Very high | 93.2 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -56.1 | -39.7 | -178.2 | -172.5 | 68.1 | 0 | 0 | 0 | 112.2 | K11 L152 I155 V156 A162 S184 I185 A186 L189 | K11-L182 HydrophobicContact CB-CD2 4.41Å; K11-L182 HydrophobicContact CD-CD2 3.53Å; L152-L182 HydrophobicContact CD1-CD1 3.88Å; L152-L182 HydrophobicContact CD1-CD2 3.77Å; L152-L182 HydrophobicContact CD1-CG 3.92Å; I155-L182 HydrophobicContact CG2-CD2 4.02Å; V156-L182 HydrophobicContact CG2-CD2 4.36Å; V156-L182 HydrophobicContact CG2-CG 4.29Å; A162-L182 WeakPolarHBondContact O-CB 3.21Å; A162-L182 PolarHBondContact O-N 3.35Å; L182-S184 PolarHBondContact O-N 3.37Å; L182-I185 PolarHBondContact O-N 2.99Å; L182-I185 VanDerWaalsContact O-N 3.14Å; L182-A186 WeakPolarHBondContact O-CB 3.23Å; L182-A186 PolarHBondContact O-N 3.14Å; L182-L189 HydrophobicContact CD1-CD1 3.66Å |
| 183 | S | 94.4 | Very high | 93 | Very high | 65 Ų | 65 | 46.9 Ų | 46.9 | 46% | 0.455 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -57.3 | -29.3 | 176.1 | 58.9 | 0 | 0 | 0 | 0 | 113.2 | H181 | H181-S183 VanDerWaalsContact C-N 3.25Å; H181-S183 PolarHBondContact O-N 3.33Å |
| 184 | S | 94.3 | Very high | 92.4 | Very high | 70 Ų | 70 | 48.4 Ų | 48.4 | 49% | 0.49 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -87.6 | -20.9 | -178.9 | -58.6 | 0 | 0 | 0 | 0 | 113.2 | H181 L182 Y187 | H181-S184 WeakPolarHBondContact O-CA 3.44Å; H181-S184 WeakPolarHBondContact O-CB 3.35Å; H181-S184 PolarHBondContact O-N 2.58Å; L182-S184 PolarHBondContact O-N 3.37Å; S184-Y187 VanDerWaalsContact O-CE1 3.25Å; S184-Y187 WeakPolarHBondContact O-CE1 3.48Å |
| 185 | I | 94.6 | Very high | 91.4 | Very high | 3 Ų | 3 | 51.9 Ų | 51.9 | 2% | 0.015 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -117.1 | -3.4 | -176.1 | 58.9 | 149.9 | 0 | 0 | 0 | 114.2 | I164 F177 V180 H181 L182 Y187 K188 L189 | I164-I185 HydrophobicContact CD1-CD1 3.83Å; I164-I185 HydrophobicContact CG1-CD1 3.54Å; F177-I185 HydrophobicContact CD1-CD1 3.76Å; F177-I185 HydrophobicContact CE1-CD1 4.31Å; V180-I185 HydrophobicContact CB-CG2 4.14Å; V180-I185 HydrophobicContact CG1-CG2 3.46Å; V180-I185 VanDerWaalsContact CG1-CG2 3.46Å; H181-I185 PolarHBondContact O-N 3.44Å; L182-I185 PolarHBondContact O-N 2.99Å; L182-I185 VanDerWaalsContact O-N 3.14Å; I185-Y187 PolarHBondContact O-N 2.85Å; I185-Y187 VanDerWaalsContact O-N 3.07Å; I185-K188 HydrophobicContact CG2-CD 4.39Å; I185-K188 WeakPolarHBondContact O-CA 3.48Å; I185-K188 WeakPolarHBondContact O-CB 3.5Å; I185-K188 PolarHBondContact O-N 3.03Å; I185-L189 HydrophobicContact CD1-CD1 3.99Å; I185-L189 HydrophobicContact CD1-CD2 4.33Å; I185-L189 HydrophobicContact CD1-CG 4.12Å; I185-L189 HydrophobicContact CG1-CD1 4.48Å; I185-L189 PolarHBondContact O-N 2.92Å |
| 186 | A | 93.4 | Very high | 90.4 | Very high | 13 Ų | 13 | 49.4 Ų | 49.4 | 11% | 0.107 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -53.5 | -34.7 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | L152 V156 L182 R190 | L152-A186 HydrophobicContact CD1-CB 4.48Å; L152-A186 HydrophobicContact CD2-CB 4.11Å; L152-A186 HydrophobicContact CG-CB 4.24Å; V156-A186 HydrophobicContact CG2-CB 4.13Å; L182-A186 WeakPolarHBondContact O-CB 3.23Å; L182-A186 PolarHBondContact O-N 3.14Å; A186-R190 WeakPolarHBondContact O-CG 3.03Å; A186-R190 PolarHBondContact O-N 2.82Å |
| 187 | Y | 91.6 | Very high | 89.4 | Confident | 86 Ų | 86 | 50.9 Ų | 50.9 | 34% | 0.337 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -70 | -38.3 | 173.8 | 81.6 | -88.5 | 0 | 0 | 0 | 113.3 | S184 I185 L189 R190 Q191 V276 | S184-Y187 VanDerWaalsContact O-CE1 3.25Å; S184-Y187 WeakPolarHBondContact O-CE1 3.48Å; I185-Y187 PolarHBondContact O-N 2.85Å; I185-Y187 VanDerWaalsContact O-N 3.07Å; Y187-L189 VanDerWaalsContact C-N 3.34Å; Y187-R190 PolarHBondContact O-N 2.78Å; Y187-Q191 WeakPolarHBondContact O-CG 3.38Å; Y187-Q191 PolarHBondContact O-N 3.02Å; Y187-V276 HydrophobicContact CD2-CG2 4.15Å; Y187-V276 HydrophobicContact CG-CG2 3.93Å |
| 188 | K | 93.7 | Very high | 88.5 | Confident | 52 Ų | 52 | 54.2 Ų | 54.2 | 23% | 0.226 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -64.2 | -41.5 | 174.9 | -65.1 | -170.7 | 179.6 | -178.6 | 0 | 110.3 | D176 F177 I185 R190 Q191 L192 | D176-K188 IonicContact OD1-NZ 3.41Å; D176-K188 PolarHBondContact OD1-NZ 3.01Å; F177-K188 HydrophobicContact CE1-CB 4.16Å; F177-K188 HydrophobicContact CZ-CB 4.19Å; F177-K188 HydrophobicContact CZ-CD 4.27Å; I185-K188 HydrophobicContact CG2-CD 4.39Å; I185-K188 WeakPolarHBondContact O-CA 3.48Å; I185-K188 WeakPolarHBondContact O-CB 3.5Å; I185-K188 PolarHBondContact O-N 3.03Å; K188-R190 VanDerWaalsContact C-N 3.32Å; K188-R190 PolarHBondContact O-N 2.75Å; K188-Q191 WeakPolarHBondContact O-CB 3.49Å; K188-Q191 PolarHBondContact O-N 2.85Å; K188-L192 WeakPolarHBondContact O-CG 3.33Å; K188-L192 PolarHBondContact O-N 3.39Å |
| 189 | L | 93.5 | Very high | 87.8 | Confident | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -59.8 | -41.3 | 175.8 | -64.8 | 177 | 0 | 0 | 0 | 111.7 | L152 L172 F177 L182 I185 Y187 L192 S193 L199 F208 | L152-L189 HydrophobicContact CD2-CB 4.33Å; L152-L189 HydrophobicContact CD2-CD1 4.34Å; L172-L189 HydrophobicContact CD2-CD2 4.2Å; F177-L189 HydrophobicContact CD1-CD2 4.26Å; F177-L189 HydrophobicContact CE1-CD2 3.93Å; L182-L189 HydrophobicContact CD1-CD1 3.66Å; I185-L189 HydrophobicContact CD1-CD1 3.99Å; I185-L189 HydrophobicContact CD1-CD2 4.33Å; I185-L189 HydrophobicContact CD1-CG 4.12Å; I185-L189 HydrophobicContact CG1-CD1 4.48Å; I185-L189 PolarHBondContact O-N 2.92Å; Y187-L189 VanDerWaalsContact C-N 3.34Å; L189-L192 PolarHBondContact O-N 2.95Å; L189-S193 PolarHBondContact O-N 3.17Å; L189-S193 VanDerWaalsContact O-N 3.1Å; L189-L199 HydrophobicContact CD2-CD2 3.75Å; L189-F208 HydrophobicContact CD1-CE1 4.11Å; L189-F208 HydrophobicContact CD1-CZ 3.84Å; L189-F208 HydrophobicContact CD2-CD1 4.34Å; L189-F208 HydrophobicContact CD2-CE1 3.97Å |
| 190 | R | 90.8 | Very high | 87.1 | Confident | 59 Ų | 59 | 53.6 Ų | 53.6 | 22% | 0.223 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -64 | -36.7 | 172.1 | -71.1 | -176.9 | -63.4 | -172.5 | 2.9 | 113 | E153 A186 Y187 K188 L192 S193 V201 H273 | E153-R190 IonicContact OE1-CZ 3.8Å; E153-R190 IonicContact OE1-NH1 3.97Å; E153-R190 PolarHBondContact OE1-NH1 3.41Å; A186-R190 WeakPolarHBondContact O-CG 3.03Å; A186-R190 PolarHBondContact O-N 2.82Å; Y187-R190 PolarHBondContact O-N 2.78Å; K188-R190 VanDerWaalsContact C-N 3.32Å; K188-R190 PolarHBondContact O-N 2.75Å; R190-L192 VanDerWaalsContact C-N 3.29Å; R190-L192 PolarHBondContact O-N 3.23Å; R190-S193 PolarHBondContact O-N 2.88Å; R190-S193 PolarHBondContact O-OG 3.42Å; R190-V201 HydrophobicContact CG-CG1 4.45Å; R190-H273 PolarHBondContact NH1-NE2 3.43Å; R190-H273 VanDerWaalsContact NH1-NE2 3.19Å |
| 191 | Q | 89.4 | Confident | 86.8 | Confident | 106 Ų | 106 | 51.7 Ų | 51.7 | 50% | 0.495 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -67.5 | -31.8 | 174.3 | -71.4 | 175.9 | -25.1 | 0 | 0 | 112.1 | Y187 K188 S193 V194 | Y187-Q191 WeakPolarHBondContact O-CG 3.38Å; Y187-Q191 PolarHBondContact O-N 3.02Å; K188-Q191 WeakPolarHBondContact O-CB 3.49Å; K188-Q191 PolarHBondContact O-N 2.85Å; Q191-S193 VanDerWaalsContact C-N 3.34Å; Q191-V194 WeakPolarHBondContact O-CG2 3.43Å |
| 192 | L | 86 | Confident | 86.5 | Confident | 16 Ų | 16 | 48.4 Ų | 48.4 | 8% | 0.084 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -80.6 | -10.7 | 176.3 | -66.5 | 177.6 | 0 | 0 | 0 | 113.3 | L172 F177 K188 L189 R190 V194 W197 S198 L199 | L172-L192 HydrophobicContact CD2-CD1 3.66Å; F177-L192 HydrophobicContact CE1-CD1 4.09Å; F177-L192 HydrophobicContact CE2-CD1 4.27Å; F177-L192 HydrophobicContact CZ-CD1 3.52Å; K188-L192 WeakPolarHBondContact O-CG 3.33Å; K188-L192 PolarHBondContact O-N 3.39Å; L189-L192 PolarHBondContact O-N 2.95Å; R190-L192 VanDerWaalsContact C-N 3.29Å; R190-L192 PolarHBondContact O-N 3.23Å; L192-V194 VanDerWaalsContact C-N 3.33Å; L192-W197 HydrophobicContact CB-CB 4.45Å; L192-W197 HydrophobicContact CD2-CB 4.33Å; L192-W197 HydrophobicContact CD2-CD2 3.69Å; L192-W197 HydrophobicContact CD2-CE3 4.3Å; L192-W197 HydrophobicContact CD2-CG 3.67Å; L192-W197 HydrophobicContact CD2-CZ2 4.49Å; L192-W197 WeakPolarHBondContact O-CB 3.38Å; L192-S198 PolarHBondContact O-N 3.06Å; L192-L199 HydrophobicContact CB-CB 3.9Å; L192-L199 HydrophobicContact CB-CD2 3.88Å; L192-L199 HydrophobicContact CB-CG 4.49Å; L192-L199 HydrophobicContact CD1-CD2 4.19Å; L192-L199 WeakPolarHBondContact O-CB 3.36Å; L192-L199 PolarHBondContact O-N 3.22Å |
| 193 | S | 83.4 | Confident | 86.2 | Confident | 32 Ų | 32 | 48.7 Ų | 48.7 | 22% | 0.224 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | -12.5 | 177.9 | 71.6 | 0 | 0 | 0 | 0 | 114.3 | L189 R190 Q191 L199 | L189-S193 PolarHBondContact O-N 3.17Å; L189-S193 VanDerWaalsContact O-N 3.1Å; R190-S193 PolarHBondContact O-N 2.88Å; R190-S193 PolarHBondContact O-OG 3.42Å; Q191-S193 VanDerWaalsContact C-N 3.34Å; S193-L199 VanDerWaalsContact CA-O 3.26Å; S193-L199 WeakPolarHBondContact CA-O 3.3Å; S193-L199 WeakPolarHBondContact CB-O 3.42Å |
| 194 | V | 78.7 | Confident | 85.4 | Confident | 78 Ų | 78 | 47.9 Ų | 47.9 | 47% | 0.473 | 26% | 0.262 | S | S | . | . | S | Bend | trans | -89.6 | 156.4 | 173.6 | -60.3 | 0 | 0 | 0 | 0 | 111.2 | Q191 L192 W197 S198 | Q191-V194 WeakPolarHBondContact O-CG2 3.43Å; L192-V194 VanDerWaalsContact C-N 3.33Å; V194-W197 PolarHBondContact O-N 2.9Å; V194-S198 PolarHBondContact O-N 3.48Å |
| 195 | P | 70.1 | Confident | 84.5 | Confident | 102 Ų | 102 | 47.6 Ų | 47.6 | 66% | 0.662 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55 | 145.5 | 172.9 | -26.2 | 35.4 | 0 | 0 | 0 | 112.1 | ||
| 196 | P | 71.9 | Confident | 83.9 | Confident | 105 Ų | 105 | 48.8 Ų | 48.8 | 68% | 0.682 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -87.4 | -1.4 | 9.2 | 35.1 | -38.4 | 0 | 0 | 0 | 115.9 | ||
| 197 | W | 72.2 | Confident | 83.4 | Confident | 108 Ų | 108 | 49.9 Ų | 49.9 | 41% | 0.409 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.7 | -48.3 | -174.8 | -61.5 | -87.1 | 0 | 0 | 0 | 113 | F170 L192 V194 L199 | F170-W197 AromaticContact CD1-CD1 3.55Å; F170-W197 HydrophobicContact CD1-CG 4.41Å; F170-W197 AromaticContact CE1-CD1 3.46Å; F170-W197 VanDerWaalsContact CE1-CD1 3.46Å; F170-W197 HydrophobicContact CE1-CG 4.35Å; F170-W197 AromaticContact CE1-NE1 3.76Å; L192-W197 HydrophobicContact CB-CB 4.45Å; L192-W197 HydrophobicContact CD2-CB 4.33Å; L192-W197 HydrophobicContact CD2-CD2 3.69Å; L192-W197 HydrophobicContact CD2-CE3 4.3Å; L192-W197 HydrophobicContact CD2-CG 3.67Å; L192-W197 HydrophobicContact CD2-CZ2 4.49Å; L192-W197 WeakPolarHBondContact O-CB 3.38Å; V194-W197 PolarHBondContact O-N 2.9Å; W197-L199 PolarHBondContact O-N 3.4Å |
| 198 | S | 76.7 | Confident | 83.4 | Confident | 79 Ų | 79 | 45.9 Ų | 45.9 | 55% | 0.552 | 27% | 0.27 | S | S | * | . | trans | 54.7 | 37 | -179.1 | -63.3 | 0 | 0 | 0 | 0 | 114.3 | L192 V194 | L192-S198 PolarHBondContact O-N 3.06Å; V194-S198 PolarHBondContact O-N 3.48Å | ||
| 199 | L | 81 | Confident | 83.5 | Confident | 11 Ų | 11 | 45.6 Ų | 45.6 | 6% | 0.058 | 27% | 0.269 | C | S | . | . | trans | -63.4 | 139.7 | 175.5 | -169.1 | 86.5 | 0 | 0 | 0 | 111.1 | A169 L172 L189 L192 S193 W197 V201 E207 | A169-L199 HydrophobicContact CB-CD1 3.66Å; L172-L199 HydrophobicContact CD1-CD1 4.07Å; L172-L199 HydrophobicContact CD2-CD1 4.45Å; L172-L199 HydrophobicContact CD2-CD2 4.07Å; L172-L199 HydrophobicContact CG-CD1 4.13Å; L189-L199 HydrophobicContact CD2-CD2 3.75Å; L192-L199 HydrophobicContact CB-CB 3.9Å; L192-L199 HydrophobicContact CB-CD2 3.88Å; L192-L199 HydrophobicContact CB-CG 4.49Å; L192-L199 HydrophobicContact CD1-CD2 4.19Å; L192-L199 WeakPolarHBondContact O-CB 3.36Å; L192-L199 PolarHBondContact O-N 3.22Å; S193-L199 VanDerWaalsContact CA-O 3.26Å; S193-L199 WeakPolarHBondContact CA-O 3.3Å; S193-L199 WeakPolarHBondContact CB-O 3.42Å; W197-L199 PolarHBondContact O-N 3.4Å; L199-V201 PolarHBondContact O-N 2.82Å; L199-E207 HydrophobicContact CD1-CB 3.75Å; L199-E207 HydrophobicContact CD1-CG 3.82Å; L199-E207 HydrophobicContact CG-CB 4.48Å; L199-E207 HydrophobicContact CG-CG 4.49Å | ||
| 200 | N | 83.6 | Confident | 83.6 | Confident | 28 Ų | 28 | 45.7 Ų | 45.7 | 15% | 0.15 | 27% | 0.27 | C | S | . | . | trans | -70.2 | 118.4 | 164.6 | -170.9 | -57.7 | 0 | 0 | 0 | 110.8 | Q148 C202 G203 E207 | Q148-N200 PolarHBondContact NE2-ND2 3.23Å; Q148-N200 PolarHBondContact OE1-ND2 3.29Å; Q148-N200 PolarHBondContact OE1-OD1 3.06Å; N200-C202 PolarHBondContact O-N 3.13Å; N200-C202 VanDerWaalsContact O-N 3.14Å; N200-C202 WeakPolarHBondContact OD1-CA 3.32Å; N200-C202 PolarHBondContact OD1-N 2.91Å; N200-G203 PolarHBondContact O-N 3.18Å; N200-G203 PolarHBondContact OD1-N 3.48Å; N200-G203 VanDerWaalsContact OD1-N 3.1Å; N200-E207 WeakPolarHBondContact CB-OE1 3.36Å; N200-E207 PolarHBondContact N-OE1 3.3Å | ||
| 201 | V | 90.6 | Very high | 83.9 | Confident | 2 Ų | 2 | 42.9 Ų | 42.9 | 1% | 0.012 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61 | -23.8 | -178.2 | -63.8 | 0 | 0 | 0 | 0 | 114.4 | Q148 E149 L152 R190 L199 F208 | Q148-V201 VanDerWaalsContact C-CG2 3.46Å; Q148-V201 HydrophobicContact CB-CG2 3.58Å; Q148-V201 WeakPolarHBondContact O-CG2 3.21Å; E149-V201 HydrophobicContact CG-CG2 4.32Å; L152-V201 HydrophobicContact CD2-CB 4.14Å; R190-V201 HydrophobicContact CG-CG1 4.45Å; L199-V201 PolarHBondContact O-N 2.82Å; V201-F208 WeakPolarHBondContact O-CZ 3.41Å |
| 202 | C | 91.4 | Very high | 84.4 | Confident | 1 Ų | 1 | 37.9 Ų | 37.9 | 1% | 0.007 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.5 | -1.5 | 176.6 | -76.2 | 0 | 0 | 0 | 0 | 112.8 | K11 I119 Q148 N200 E204 | K11-C202 PolarHBondContact NZ-O 3.37Å; I119-C202 HydrophobicContact CD1-CB 3.69Å; Q148-C202 HydrophobicContact CB-CB 4.36Å; Q148-C202 PolarHBondContact O-SG 3.02Å; N200-C202 PolarHBondContact O-N 3.13Å; N200-C202 VanDerWaalsContact O-N 3.14Å; N200-C202 WeakPolarHBondContact OD1-CA 3.32Å; N200-C202 PolarHBondContact OD1-N 2.91Å; C202-E204 VanDerWaalsContact C-N 3.3Å; C202-E204 PolarHBondContact O-N 3.38Å |
| 203 | G | 88.2 | Confident | 85 | Confident | 7 Ų | 7 | 37.6 Ų | 37.6 | 7% | 0.072 | 24% | 0.235 | C | C | . | . | trans | 70 | 20.2 | 179 | 0 | 0 | 0 | 0 | 0 | 114.8 | N200 G205 G206 E207 | N200-G203 PolarHBondContact O-N 3.18Å; N200-G203 PolarHBondContact OD1-N 3.48Å; N200-G203 VanDerWaalsContact OD1-N 3.1Å; G203-G205 PolarHBondContact O-N 2.88Å; G203-G205 VanDerWaalsContact O-N 3.12Å; G203-G206 PolarHBondContact O-N 2.86Å; G203-E207 VanDerWaalsContact CA-OE2 3.3Å; G203-E207 WeakPolarHBondContact CA-OE2 3.49Å | ||
| 204 | E | 79.1 | Confident | 85.7 | Confident | 48 Ų | 48 | 37.5 Ų | 37.5 | 22% | 0.224 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -21.5 | -179.4 | -85.4 | -87.3 | 137.5 | 0 | 0 | 114 | I119 L120 S121 C202 G206 | I119-E204 WeakPolarHBondContact CA-OE1 3.47Å; I119-E204 HydrophobicContact CB-CG 3.92Å; I119-E204 WeakPolarHBondContact CB-OE1 3.31Å; I119-E204 HydrophobicContact CD1-CG 4.01Å; I119-E204 HydrophobicContact CG1-CG 4.38Å; I119-E204 WeakPolarHBondContact CG1-OE1 3.31Å; I119-E204 PolarHBondContact N-OE1 2.96Å; L120-E204 PolarHBondContact N-OE2 2.83Å; S121-E204 PolarHBondContact N-OE2 3.27Å; S121-E204 VanDerWaalsContact N-OE2 3.09Å; C202-E204 VanDerWaalsContact C-N 3.3Å; C202-E204 PolarHBondContact O-N 3.38Å; E204-G206 VanDerWaalsContact C-N 3.28Å |
| 205 | G | 75.6 | Confident | 86.6 | Confident | 64 Ų | 64 | 33.8 Ų | 33.8 | 66% | 0.66 | 21% | 0.209 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.3 | 3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | G203 E207 | G203-G205 PolarHBondContact O-N 2.88Å; G203-G205 VanDerWaalsContact O-N 3.12Å; G205-E207 VanDerWaalsContact C-OE2 3.29Å; G205-E207 WeakPolarHBondContact CA-OE2 3.46Å; G205-E207 PolarHBondContact N-OE2 3.05Å |
| 206 | G | 80.5 | Confident | 87.9 | Confident | 27 Ų | 27 | 29.6 Ų | 29.6 | 28% | 0.278 | 18% | 0.182 | S | C | . | . | S | Bend | trans | 82.1 | 16.2 | -173.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | G203 E204 F208 | G203-G206 PolarHBondContact O-N 2.86Å; E204-G206 VanDerWaalsContact C-N 3.28Å; G206-F208 VanDerWaalsContact C-N 3.27Å; G206-F208 PolarHBondContact O-N 3.25Å |
| 207 | E | 84.3 | Confident | 89.1 | Confident | 37 Ų | 37 | 25.2 Ų | 25.2 | 17% | 0.173 | 15% | 0.153 | C | C | . | . | S | Bend | trans | -62.4 | -36.4 | -179.1 | -63.9 | 94.4 | 153.1 | 0 | 0 | 112.5 | I167 A168 A169 L172 L199 N200 G203 G205 | I167-E207 CarbonylContact C-O 3.53Å; A168-E207 PolarHBondContact N-O 3.01Å; A169-E207 HydrophobicContact CB-CB 3.55Å; A169-E207 HydrophobicContact CB-CG 3.66Å; L172-E207 HydrophobicContact CD1-CB 4.48Å; L172-E207 VanDerWaalsContact CD1-O 3.3Å; L172-E207 WeakPolarHBondContact CD1-O 3.36Å; L199-E207 HydrophobicContact CD1-CB 3.75Å; L199-E207 HydrophobicContact CD1-CG 3.82Å; L199-E207 HydrophobicContact CG-CB 4.48Å; L199-E207 HydrophobicContact CG-CG 4.49Å; N200-E207 WeakPolarHBondContact CB-OE1 3.36Å; N200-E207 PolarHBondContact N-OE1 3.3Å; G203-E207 VanDerWaalsContact CA-OE2 3.3Å; G203-E207 WeakPolarHBondContact CA-OE2 3.49Å; G205-E207 VanDerWaalsContact C-OE2 3.29Å; G205-E207 WeakPolarHBondContact CA-OE2 3.46Å; G205-E207 PolarHBondContact N-OE2 3.05Å |
| 208 | F | 91.6 | Very high | 90.3 | Very high | 2 Ų | 2 | 20 Ų | 20 | 1% | 0.009 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.7 | 153.2 | 171.3 | 65.3 | -94.2 | 0 | 0 | 0 | 110.4 | I164 K166 L172 L189 V201 G206 T210 | I164-F208 HydrophobicContact CD1-CB 4.04Å; I164-F208 HydrophobicContact CD1-CD2 3.19Å; I164-F208 HydrophobicContact CD1-CE2 3.67Å; I164-F208 HydrophobicContact CD1-CG 3.69Å; I164-F208 HydrophobicContact CG2-CB 4.2Å; K166-F208 CarbonylContact O-C 3.43Å; K166-F208 WeakPolarHBondContact O-CA 3.45Å; K166-F208 VanDerWaalsContact O-CB 3.22Å; K166-F208 WeakPolarHBondContact O-CB 3.38Å; L172-F208 HydrophobicContact CD1-CB 4.04Å; L172-F208 HydrophobicContact CD1-CD1 4.27Å; L189-F208 HydrophobicContact CD1-CE1 4.11Å; L189-F208 HydrophobicContact CD1-CZ 3.84Å; L189-F208 HydrophobicContact CD2-CD1 4.34Å; L189-F208 HydrophobicContact CD2-CE1 3.97Å; V201-F208 WeakPolarHBondContact O-CZ 3.41Å; G206-F208 VanDerWaalsContact C-N 3.27Å; G206-F208 PolarHBondContact O-N 3.25Å; F208-T210 HydrophobicContact CD2-CG2 3.99Å; F208-T210 HydrophobicContact CE2-CG2 3.96Å |
| 209 | E | 94.3 | Very high | 91.3 | Very high | 45 Ų | 45 | 17.4 Ų | 17.4 | 21% | 0.21 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 155 | 173.2 | -60.2 | -72.6 | -174.9 | 0 | 0 | 109.6 | Q52 I164 I165 K166 | Q52-E209 VanDerWaalsContact CD-OE2 3.26Å; Q52-E209 HydrophobicContact CG-CG 4.24Å; Q52-E209 PolarHBondContact OE1-OE2 3.5Å; Q52-E209 VanDerWaalsContact OE1-OE2 3.14Å; I164-E209 CarbonylContact C-O 3.35Å; I164-E209 WeakPolarHBondContact CA-O 3.45Å; I165-E209 HydrophobicContact CG1-CB 4.01Å; I165-E209 PolarHBondContact N-O 3.33Å; K166-E209 HydrophobicContact CB-CB 3.7Å; K166-E209 HydrophobicContact CB-CG 3.88Å; K166-E209 HydrophobicContact CD-CG 3.78Å; K166-E209 HydrophobicContact CG-CG 4.42Å; K166-E209 PolarHBondContact N-O 3.24Å; K166-E209 PolarHBondContact O-N 3.44Å |
| 210 | T | 96.9 | Very high | 92.2 | Very high | 2 Ų | 2 | 17.9 Ų | 17.9 | 1% | 0.012 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 158.3 | 179.2 | 57.3 | 0 | 0 | 0 | 0 | 112 | G10 K11 Q52 I163 I164 F208 | G10-T210 WeakPolarHBondContact CA-O 3.27Å; G10-T210 WeakPolarHBondContact CA-OG1 3.47Å; K11-T210 HydrophobicContact CD-CG2 4.29Å; K11-T210 PolarHBondContact N-OG1 3.45Å; Q52-T210 PolarHBondContact NE2-O 3.47Å; I163-T210 WeakPolarHBondContact O-CA 3.44Å; I163-T210 WeakPolarHBondContact O-CB 3.45Å; I164-T210 HydrophobicContact CD1-CG2 3.99Å; F208-T210 HydrophobicContact CD2-CG2 3.99Å; F208-T210 HydrophobicContact CE2-CG2 3.96Å |
| 211 | V | 97.3 | Very high | 92.9 | Very high | 1 Ų | 1 | 18.9 Ų | 18.9 | 1% | 0.006 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 137.6 | 160.3 | 74.5 | 0 | 0 | 0 | 0 | 108.9 | G9 A58 I62 A162 I163 I165 L213 L246 | G9-V211 CarbonylContact O-C 3.38Å; G9-V211 WeakPolarHBondContact O-CA 3.4Å; A58-V211 HydrophobicContact CB-CG2 3.44Å; A58-V211 VanDerWaalsContact CB-CG2 3.44Å; I62-V211 HydrophobicContact CD1-CG2 4.31Å; A162-V211 CarbonylContact C-O 3.54Å; A162-V211 WeakPolarHBondContact CA-O 3.48Å; A162-V211 WeakPolarHBondContact CB-O 3.44Å; I163-V211 HydrophobicContact CD1-CG1 4.05Å; I163-V211 HydrophobicContact CG1-CG1 3.55Å; I163-V211 PolarHBondContact N-O 2.93Å; I163-V211 PolarHBondContact O-N 2.93Å; I165-V211 HydrophobicContact CD1-CB 4.17Å; I165-V211 HydrophobicContact CG2-CB 3.88Å; I165-V211 HydrophobicContact CG2-CG1 3.49Å; I165-V211 VanDerWaalsContact CG2-CG1 3.49Å; V211-L213 HydrophobicContact CG1-CD2 3.97Å; V211-L246 HydrophobicContact CB-CD1 4.38Å; V211-L246 HydrophobicContact CG1-CD1 3.83Å; V211-L246 HydrophobicContact CG2-CD1 4.39Å |
| 212 | T | 98.3 | Very high | 93.2 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 121.1 | 173.3 | -60.3 | 0 | 0 | 0 | 0 | 110.2 | G9 I14 I160 D161 D214 C215 F218 | G9-T212 PolarHBondContact O-N 3.09Å; I14-T212 HydrophobicContact CG1-CG2 4.4Å; I14-T212 HydrophobicContact CG2-CG2 4.23Å; I160-T212 HydrophobicContact CG2-CG2 3.88Å; D161-T212 CarbonylContact O-C 3.5Å; T212-D214 VanDerWaalsContact CG2-O 3.28Å; T212-D214 WeakPolarHBondContact CG2-O 3.29Å; T212-C215 HydrophobicContact CG2-CB 4.22Å; T212-F218 HydrophobicContact CG2-CE2 4.07Å; T212-F218 HydrophobicContact CG2-CZ 4.07Å |
| 213 | L | 98.2 | Very high | 93.5 | Very high | 11 Ų | 11 | 24.6 Ų | 24.6 | 6% | 0.058 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | -35.9 | 176.8 | -60.5 | -176.5 | 0 | 0 | 0 | 112 | D161 I163 V211 I222 | D161-L213 PolarHBondContact O-N 3.31Å; I163-L213 HydrophobicContact CD1-CD1 4.13Å; I163-L213 HydrophobicContact CG1-CD1 4.2Å; I163-L213 HydrophobicContact CG1-CG 4.34Å; I163-L213 HydrophobicContact CG2-CD1 3.77Å; I163-L213 HydrophobicContact CG2-CG 4.49Å; V211-L213 HydrophobicContact CG1-CD2 3.97Å; L213-I222 HydrophobicContact CD2-CB 4.38Å; L213-I222 HydrophobicContact CD2-CG2 4.31Å; L213-I222 WeakPolarHBondContact O-CB 3.35Å; L213-I222 PolarHBondContact O-N 3.41Å |
| 214 | D | 98.3 | Very high | 93.9 | Very high | 29 Ų | 29 | 27.1 Ų | 27.1 | 16% | 0.155 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 153.5 | 175 | -165.2 | 12.5 | 0 | 0 | 0 | 111 | D161 T212 R221 K254 | D161-D214 HydrophobicContact CB-CB 4.03Å; D161-D214 PolarHBondContact N-O 2.82Å; D161-D214 PolarHBondContact O-N 3.05Å; T212-D214 VanDerWaalsContact CG2-O 3.28Å; T212-D214 WeakPolarHBondContact CG2-O 3.29Å; D214-R221 HydrophobicContact CB-CB 3.86Å; D214-K254 WeakPolarHBondContact OD1-CD 3.2Å; D214-K254 WeakPolarHBondContact OD1-CE 3.21Å; D214-K254 IonicContact OD1-NZ 2.66Å; D214-K254 PolarHBondContact OD1-NZ 2.92Å; D214-K254 IonicContact OD2-NZ 3.81Å; D214-K254 PolarHBondContact OD2-NZ 2.92Å |
| 215 | C | 97.5 | Very high | 94.5 | Very high | 1 Ų | 1 | 31.1 Ų | 31.1 | 1% | 0.007 | 17% | 0.17 | C | C | . | . | trans | -161.3 | 167.9 | 166.3 | 63.9 | 0 | 0 | 0 | 0 | 110.1 | I14 I160 T212 I217 F218 K254 | I14-C215 HydrophobicContact CG2-CB 4.33Å; I160-C215 HydrophobicContact CB-CB 4.48Å; I160-C215 HydrophobicContact CG1-CB 3.9Å; T212-C215 HydrophobicContact CG2-CB 4.22Å; C215-I217 PolarHBondContact O-N 2.88Å; C215-I217 VanDerWaalsContact O-N 3.09Å; C215-I217 WeakPolarHBondContact SG-CG1 3.4Å; C215-F218 PolarHBondContact O-N 3.44Å; C215-F218 WeakPolarHBondContact SG-CD1 3.27Å; C215-F218 WeakPolarHBondContact SG-CE1 3.19Å; C215-K254 PolarHBondContact O-NZ 3.31Å | ||
| 216 | P | 97.3 | Very high | 95.4 | Very high | 14 Ų | 14 | 30 Ų | 30 | 9% | 0.091 | 15% | 0.153 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -18.4 | -177.5 | -25.8 | 34 | 0 | 0 | 0 | 115.5 | M18 A158 V259 C260 F266 L269 | M18-P216 HydrophobicContact CE-CB 4.13Å; M18-P216 HydrophobicContact CE-CG 3.89Å; A158-P216 VanDerWaalsContact O-CD 3.23Å; A158-P216 WeakPolarHBondContact O-CD 3.42Å; A158-P216 WeakPolarHBondContact O-CG 3.4Å; P216-V259 CarbonylContact O-C 3.59Å; P216-V259 WeakPolarHBondContact O-CA 3.47Å; P216-C260 HydrophobicContact CB-CB 4.01Å; P216-C260 PolarHBondContact O-N 3.02Å; P216-F266 HydrophobicContact CB-CE1 4.36Å; P216-L269 HydrophobicContact CB-CD1 4.34Å; P216-L269 HydrophobicContact CG-CD1 4.14Å |
| 217 | I | 97.7 | Very high | 96 | Very high | 12 Ų | 12 | 37.2 Ų | 37.2 | 6% | 0.062 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.3 | -11.9 | 174.9 | 50.7 | 174.2 | 0 | 0 | 0 | 113.6 | I14 I17 M18 I21 L66 C215 F266 | I14-I217 HydrophobicContact CG2-CD1 4.2Å; I17-I217 HydrophobicContact CB-CD1 4.16Å; I17-I217 HydrophobicContact CG2-CD1 3.62Å; M18-I217 HydrophobicContact CG-CD1 3.82Å; M18-I217 HydrophobicContact CG-CG1 4.1Å; M18-I217 HydrophobicContact CG-CG2 3.94Å; I21-I217 HydrophobicContact CD1-CG2 3.91Å; L66-I217 HydrophobicContact CD2-CB 3.99Å; L66-I217 HydrophobicContact CD2-CD1 3.51Å; L66-I217 HydrophobicContact CD2-CG1 3.68Å; C215-I217 PolarHBondContact O-N 2.88Å; C215-I217 VanDerWaalsContact O-N 3.09Å; C215-I217 WeakPolarHBondContact SG-CG1 3.4Å; I217-F266 HydrophobicContact CG2-CE1 3.69Å; I217-F266 HydrophobicContact CG2-CE2 4.23Å; I217-F266 HydrophobicContact CG2-CZ 3.21Å |
| 218 | F | 98.4 | Very high | 96.4 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 18% | 0.178 | C | C | . | . | trans | -81.9 | 131.4 | -178.2 | -73.2 | 5.6 | 0 | 0 | 0 | 111.2 | I14 I62 A65 L66 T212 C215 S220 I222 K254 V259 | I14-F218 HydrophobicContact CD1-CZ 4.44Å; I14-F218 HydrophobicContact CG2-CE1 4.45Å; I62-F218 HydrophobicContact CB-CZ 4.43Å; I62-F218 HydrophobicContact CG1-CE2 4.49Å; I62-F218 HydrophobicContact CG1-CZ 4.15Å; I62-F218 HydrophobicContact CG2-CE1 4.25Å; I62-F218 HydrophobicContact CG2-CZ 3.94Å; A65-F218 HydrophobicContact CB-CB 4.07Å; A65-F218 HydrophobicContact CB-CD1 4.16Å; A65-F218 HydrophobicContact CB-CD2 3.78Å; A65-F218 HydrophobicContact CB-CE2 4.26Å; A65-F218 HydrophobicContact CB-CG 3.74Å; L66-F218 HydrophobicContact CD1-CE1 4.02Å; L66-F218 HydrophobicContact CD2-CD1 3.62Å; L66-F218 HydrophobicContact CD2-CE1 3.77Å; L66-F218 HydrophobicContact CG-CD1 3.74Å; L66-F218 HydrophobicContact CG-CE1 3.63Å; T212-F218 HydrophobicContact CG2-CE2 4.07Å; T212-F218 HydrophobicContact CG2-CZ 4.07Å; C215-F218 PolarHBondContact O-N 3.44Å; C215-F218 WeakPolarHBondContact SG-CD1 3.27Å; C215-F218 WeakPolarHBondContact SG-CE1 3.19Å; F218-S220 VanDerWaalsContact C-N 3.31Å; F218-S220 WeakPolarHBondContact CB-O 3.49Å; F218-I222 HydrophobicContact CE2-CD1 4.29Å; F218-K254 WeakPolarHBondContact O-CD 3.35Å; F218-K254 PolarHBondContact O-NZ 2.97Å; F218-V259 WeakPolarHBondContact O-CG2 3.48Å | ||
| 219 | N | 98.1 | Very high | 96.5 | Very high | 23 Ų | 23 | 39.9 Ų | 39.9 | 12% | 0.123 | 19% | 0.193 | C | C | . | . | S | Bend | trans | -75.9 | -20.9 | 170.6 | -62.4 | -75.7 | 0 | 0 | 0 | 112.3 | A65 E67 K254 R261 | A65-N219 PolarHBondContact O-N 2.83Å; A65-N219 PolarHBondContact O-ND2 3.07Å; E67-N219 HydrophobicContact CG-CB 4.32Å; E67-N219 WeakPolarHBondContact CG-ND2 3.43Å; E67-N219 PolarHBondContact OE2-ND2 2.89Å; N219-K254 PolarHBondContact O-N 3.14Å; N219-K254 VanDerWaalsContact O-N 3.07Å; N219-R261 PolarHBondContact OD1-NH2 2.9Å; N219-R261 VanDerWaalsContact OD1-NH2 3.09Å |
| 220 | S | 98.4 | Very high | 96.5 | Very high | 21 Ų | 21 | 42.1 Ų | 42.1 | 15% | 0.147 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 140 | 176.1 | -63.4 | 0 | 0 | 0 | 0 | 109.9 | A65 F218 E252 | A65-S220 VanDerWaalsContact CB-O 3.25Å; A65-S220 WeakPolarHBondContact CB-O 3.43Å; F218-S220 VanDerWaalsContact C-N 3.31Å; F218-S220 WeakPolarHBondContact CB-O 3.49Å; S220-E252 CarbonylContact C-O 3.59Å; S220-E252 WeakPolarHBondContact CA-O 3.44Å; S220-E252 WeakPolarHBondContact CB-O 3.45Å |
| 221 | R | 98.1 | Very high | 96.3 | Very high | 50 Ų | 50 | 43.3 Ų | 43.3 | 19% | 0.189 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 148.7 | 172.5 | 61 | -172.4 | 163.3 | -110.5 | -2.2 | 110.8 | D214 E252 K254 E258 | D214-R221 HydrophobicContact CB-CB 3.86Å; R221-E252 HydrophobicContact CG-CB 3.85Å; R221-E252 HydrophobicContact CG-CG 4.47Å; R221-E252 IonicContact CZ-OE1 2.69Å; R221-E252 IonicContact CZ-OE2 3.45Å; R221-E252 PolarHBondContact N-O 3.21Å; R221-E252 IonicContact NE-OE1 3.52Å; R221-E252 IonicContact NE-OE2 3.51Å; R221-E252 PolarHBondContact NE-OE2 3.12Å; R221-E252 IonicContact NH2-OE1 3.34Å; R221-E252 PolarHBondContact NH2-OE1 3.23Å; R221-E252 IonicContact NH2-OE2 3.91Å; R221-E252 PolarHBondContact NH2-OE2 3.4Å; R221-E252 PolarHBondContact O-N 3.42Å; R221-K254 HydrophobicContact CB-CD 4.23Å; R221-K254 HydrophobicContact CB-CG 4.42Å; R221-K254 HydrophobicContact CG-CG 4.45Å; R221-E258 IonicContact NH1-OE2 3.47Å |
| 222 | I | 98.2 | Very high | 95.9 | Very high | 3 Ų | 3 | 46.1 Ų | 46.1 | 2% | 0.015 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 124.3 | 177.2 | -54.3 | 172 | 0 | 0 | 0 | 108 | I62 L213 F218 L249 L250 L251 | I62-I222 HydrophobicContact CG1-CD1 3.57Å; L213-I222 HydrophobicContact CD2-CB 4.38Å; L213-I222 HydrophobicContact CD2-CG2 4.31Å; L213-I222 WeakPolarHBondContact O-CB 3.35Å; L213-I222 PolarHBondContact O-N 3.41Å; F218-I222 HydrophobicContact CE2-CD1 4.29Å; I222-L249 HydrophobicContact CG2-CB 4.24Å; I222-L249 HydrophobicContact CG2-CD1 4.4Å; I222-L249 HydrophobicContact CG2-CD2 3.94Å; I222-L249 HydrophobicContact CG2-CG 4.43Å; I222-L250 WeakPolarHBondContact CA-O 3.3Å; I222-L251 HydrophobicContact CG1-CD2 3.9Å |
| 223 | R | 97.4 | Very high | 95.2 | Very high | 119 Ų | 119 | 51 Ų | 51 | 45% | 0.449 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 142.2 | 175.3 | -62.8 | -74.9 | -161.5 | 153.5 | 5 | 111 | L249 L250 E252 | R223-L249 WeakPolarHBondContact O-CA 3.5Å; R223-L250 HydrophobicContact CB-CD2 3.63Å; R223-L250 HydrophobicContact CB-CG 3.85Å; R223-L250 HydrophobicContact CG-CD2 4.49Å; R223-L250 PolarHBondContact N-O 2.85Å; R223-L250 PolarHBondContact O-N 3.02Å; R223-E252 HydrophobicContact CG-CB 4.28Å; R223-E252 WeakPolarHBondContact CG-OE2 3.35Å; R223-E252 IonicContact CZ-OE2 3.08Å; R223-E252 IonicContact NE-OE2 2.73Å; R223-E252 PolarHBondContact NE-OE2 3.09Å; R223-E252 IonicContact NH2-OE1 3.55Å; R223-E252 IonicContact NH2-OE2 2.74Å; R223-E252 PolarHBondContact NH2-OE2 2.87Å; R223-E252 VanDerWaalsContact NH2-OE2 3.08Å |
| 224 | L | 95.3 | Very high | 94.4 | Very high | 61 Ų | 61 | 52.6 Ų | 52.6 | 32% | 0.319 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 118.5 | 166.4 | -59.4 | 165.7 | 0 | 0 | 0 | 108.5 | I163 P228 L246 L249 | I163-L224 HydrophobicContact CD1-CD1 4.09Å; L224-P228 HydrophobicContact CD1-CG 4.17Å; L224-P228 HydrophobicContact CD2-CG 4.27Å; L224-L246 HydrophobicContact CD2-CD2 4.02Å; L224-L249 HydrophobicContact CD2-CD2 3.42Å; L224-L249 VanDerWaalsContact CD2-CD2 3.42Å; L224-L249 HydrophobicContact CG-CD2 4.37Å |
| 225 | Q | 93.8 | Very high | 93.5 | Very high | 131 Ų | 131 | 59.9 Ų | 59.9 | 61% | 0.612 | 30% | 0.296 | S | S | * | . | S | Bend | trans | -81.4 | -19.6 | 174.1 | -67 | -172 | -47.8 | 0 | 0 | 113.2 | N248 L250 | Q225-N248 HydrophobicContact CB-CB 3.92Å; Q225-N248 WeakPolarHBondContact CB-O 3.36Å; Q225-N248 WeakPolarHBondContact CG-O 3.48Å; Q225-N248 PolarHBondContact N-O 2.81Å; Q225-L250 HydrophobicContact CG-CB 4.16Å; Q225-L250 HydrophobicContact CG-CD2 3.18Å; Q225-L250 HydrophobicContact CG-CG 4.23Å |
| 226 | S | 93.3 | Very high | 92.4 | Very high | 42 Ų | 42 | 62.7 Ų | 62.7 | 29% | 0.294 | 31% | 0.31 | S | S | . | . | S | Bend | trans | -142 | 155.2 | -179.5 | 54.6 | 0 | 0 | 0 | 0 | 109.7 | R247 N248 | S226-R247 PolarHBondContact OG-O 3.46Å; S226-N248 PolarHBondContact OG-ND2 3.31Å |
| 227 | E | 92.8 | Very high | 91.1 | Very high | 177 Ų | 177 | 67.2 Ų | 67.2 | 83% | 0.827 | 34% | 0.34 | S | S | * | . | P | Polyproline II helix | trans | -52.8 | 130.4 | 169.8 | -68.8 | -63.1 | 161.9 | 0 | 0 | 110.2 | ||
| 228 | P | 93.2 | Very high | 89.7 | Confident | 24 Ų | 24 | 73.4 Ų | 73.4 | 16% | 0.156 | 37% | 0.367 | C | S | . | . | P | Polyproline II helix | trans | -61 | 152.1 | 174.9 | -24.2 | 35.4 | 0 | 0 | 0 | 112.3 | L224 L244 L246 | L224-P228 HydrophobicContact CD1-CG 4.17Å; L224-P228 HydrophobicContact CD2-CG 4.27Å; P228-L244 HydrophobicContact CB-CB 4Å; P228-L244 HydrophobicContact CB-CD1 4.12Å; P228-L244 HydrophobicContact CB-CD2 4.1Å; P228-L244 HydrophobicContact CB-CG 4.29Å; P228-L244 HydrophobicContact CG-CD1 4.19Å; P228-L246 HydrophobicContact CB-CD2 4.09Å; P228-L246 HydrophobicContact CG-CD2 3.99Å |
| 229 | E | 93.5 | Very high | 88.5 | Confident | 71 Ų | 71 | 75.6 Ų | 75.6 | 33% | 0.332 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 126.5 | 171.3 | 173.3 | -170.2 | -163.8 | 0 | 0 | 109.4 | V231 L244 R245 R247 | E229-V231 HydrophobicContact CG-CG2 4.18Å; E229-L244 WeakPolarHBondContact O-CA 3.24Å; E229-R245 HydrophobicContact CB-CB 4.26Å; E229-R245 PolarHBondContact N-O 3.16Å; E229-R245 VanDerWaalsContact N-O 3.12Å; E229-R245 PolarHBondContact O-N 3.2Å; E229-R245 IonicContact OE1-NH1 3.98Å; E229-R245 PolarHBondContact OE1-NH1 3.37Å; E229-R245 WeakPolarHBondContact OE2-CD 3.34Å; E229-R245 IonicContact OE2-CZ 3.17Å; E229-R245 IonicContact OE2-NE 3.96Å; E229-R245 IonicContact OE2-NH1 3.73Å; E229-R245 PolarHBondContact OE2-NH1 2.86Å; E229-R247 IonicContact OE1-NH2 2.82Å; E229-R247 IonicContact OE2-CZ 2.75Å; E229-R247 VanDerWaalsContact OE2-CZ 3.27Å; E229-R247 IonicContact OE2-NE 3.13Å; E229-R247 PolarHBondContact OE2-NE 3.25Å; E229-R247 IonicContact OE2-NH2 3.44Å; E229-R247 PolarHBondContact OE2-NH2 2.87Å |
| 230 | I | 94.3 | Very high | 87.6 | Confident | 92 Ų | 92 | 75.3 Ų | 75.3 | 47% | 0.472 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 120.1 | 172.9 | -57.7 | 173.9 | 0 | 0 | 0 | 108.8 | V174 L178 A242 L244 | V174-I230 HydrophobicContact CG1-CD1 4.15Å; V174-I230 HydrophobicContact CG1-CG2 4.38Å; L178-I230 HydrophobicContact CD2-CG1 4.4Å; L178-I230 HydrophobicContact CD2-CG2 3.97Å; I230-A242 HydrophobicContact CG2-CB 4.48Å; I230-L244 HydrophobicContact CB-CD2 4.5Å; I230-L244 HydrophobicContact CG1-CD2 3.73Å |
| 231 | V | 92.1 | Very high | 87.1 | Confident | 28 Ų | 28 | 75.9 Ų | 75.9 | 17% | 0.17 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 121 | 172.7 | -176.2 | 0 | 0 | 0 | 0 | 108.6 | E229 A242 Y243 | E229-V231 HydrophobicContact CG-CG2 4.18Å; V231-A242 CarbonylContact O-C 3.46Å; V231-A242 VanDerWaalsContact O-CA 3.26Å; V231-A242 WeakPolarHBondContact O-CA 3.43Å; V231-Y243 HydrophobicContact CB-CD1 3.95Å; V231-Y243 HydrophobicContact CB-CD2 4.48Å; V231-Y243 HydrophobicContact CB-CE1 3.43Å; V231-Y243 VanDerWaalsContact CB-CE1 3.43Å; V231-Y243 HydrophobicContact CB-CE2 4.05Å; V231-Y243 HydrophobicContact CB-CG 4.45Å; V231-Y243 HydrophobicContact CG1-CD1 4.26Å; V231-Y243 HydrophobicContact CG1-CE1 3.39Å; V231-Y243 HydrophobicContact CG2-CE1 4.27Å; V231-Y243 HydrophobicContact CG2-CE2 4.09Å; V231-Y243 PolarHBondContact N-O 3.1Å; V231-Y243 PolarHBondContact O-N 3.46Å |
| 232 | T | 89.5 | Confident | 86.8 | Confident | 60 Ų | 60 | 73.6 Ų | 73.6 | 37% | 0.368 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 113.5 | -178.5 | -48 | 0 | 0 | 0 | 0 | 110.7 | S234 K235 A242 | T232-S234 WeakPolarHBondContact CG2-O 3.38Å; T232-K235 HydrophobicContact CG2-CG 3.63Å; T232-A242 HydrophobicContact CG2-CB 4.48Å |
| 233 | H | 83.5 | Confident | 86.6 | Confident | 102 Ų | 102 | 73.6 Ų | 73.6 | 47% | 0.472 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | -37.9 | 175.1 | -84 | -63.3 | 0 | 0 | 0 | 112.6 | E45 T241 Y243 | E45-H233 IonicContact OE2-CD2 3.19Å; E45-H233 PolarHBondContact OE2-CD2 3.07Å; E45-H233 IonicContact OE2-NE2 3.82Å; E45-H233 PolarHBondContact OE2-NE2 2.97Å; E45-H233 VanDerWaalsContact OE2-NE2 3.16Å; H233-T241 HydrophobicContact CB-CG2 4.09Å; H233-T241 PolarHBondContact N-O 3.49Å; H233-Y243 AromaticContact CD2-CD1 3.67Å; H233-Y243 AromaticContact CD2-CE1 3.5Å; H233-Y243 VanDerWaalsContact CD2-CE1 3.5Å; H233-Y243 WeakPolarHBondContact CD2-CE1 3.42Å; H233-Y243 AromaticContact NE2-CD1 3.89Å; H233-Y243 AromaticContact NE2-CE1 3.24Å; H233-Y243 WeakPolarHBondContact NE2-CE1 3.41Å |
| 234 | S | 81.4 | Confident | 86.5 | Confident | 45 Ų | 45 | 68.2 Ų | 68.2 | 32% | 0.315 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 128.5 | 175.9 | 178.3 | 0 | 0 | 0 | 0 | 110.1 | T232 D236 P240 T241 | T232-S234 WeakPolarHBondContact CG2-O 3.38Å; S234-D236 VanDerWaalsContact C-N 3.29Å; S234-D236 PolarHBondContact OG-N 3.22Å; S234-P240 WeakPolarHBondContact O-CA 3.47Å; S234-T241 PolarHBondContact N-O 3.1Å; S234-T241 VanDerWaalsContact N-O 3.1Å; S234-T241 PolarHBondContact O-N 3.32Å |
| 235 | K | 78.8 | Confident | 86.3 | Confident | 182 Ų | 182 | 67 Ų | 67 | 79% | 0.791 | 35% | 0.347 | S | S | * | . | trans | -94.6 | 24.2 | 175.1 | -66.3 | -176.5 | 179.2 | -176.9 | 0 | 112.2 | T232 | T232-K235 HydrophobicContact CG2-CG 3.63Š| ||
| 236 | D | 75.9 | Confident | 86.3 | Confident | 59 Ų | 59 | 61 Ų | 61 | 32% | 0.316 | 32% | 0.319 | S | S | . | . | trans | -56.1 | 125.2 | 175.7 | -176.4 | -85.2 | 0 | 0 | 0 | 109.5 | S234 F238 S239 P240 | S234-D236 VanDerWaalsContact C-N 3.29Å; S234-D236 PolarHBondContact OG-N 3.22Å; D236-F238 PolarHBondContact O-N 2.86Å; D236-F238 WeakPolarHBondContact OD1-CA 3.4Å; D236-F238 WeakPolarHBondContact OD1-CB 3.37Å; D236-F238 PolarHBondContact OD1-N 3.01Å; D236-S239 PolarHBondContact OD1-N 3.23Å; D236-S239 PolarHBondContact OD1-OG 2.68Å; D236-P240 WeakPolarHBondContact O-CA 3.39Å; D236-P240 WeakPolarHBondContact O-CD 3.31Å; D236-P240 VanDerWaalsContact O-N 3.16Å | ||
| 237 | P | 68.8 | Low | 86.1 | Confident | 110 Ų | 110 | 64.9 Ų | 64.9 | 71% | 0.714 | 33% | 0.327 | S | S | * | . | S | Bend | trans | -69.8 | -12.9 | -173.6 | 26.2 | -33.2 | 0 | 0 | 0 | 113.5 | ||
| 238 | F | 68.8 | Low | 85.9 | Confident | 142 Ų | 142 | 61 Ų | 61 | 62% | 0.623 | 31% | 0.312 | S | S | * | . | S | Bend | trans | -106.3 | -29.1 | -178.6 | -58 | -72.6 | 0 | 0 | 0 | 112.6 | F170 D236 | F170-F238 WeakPolarHBondContact CA-O 3.43Å; F170-F238 HydrophobicContact CD2-CB 3.93Å; F170-F238 WeakPolarHBondContact CD2-O 3.4Å; F170-F238 HydrophobicContact CE2-CB 3.94Å; F170-F238 HydrophobicContact CE2-CD1 4.4Å; D236-F238 PolarHBondContact O-N 2.86Å; D236-F238 WeakPolarHBondContact OD1-CA 3.4Å; D236-F238 WeakPolarHBondContact OD1-CB 3.37Å; D236-F238 PolarHBondContact OD1-N 3.01Å |
| 239 | S | 74 | Confident | 86.1 | Confident | 45 Ų | 45 | 60.4 Ų | 60.4 | 32% | 0.315 | 31% | 0.308 | S | S | . | . | S | Bend | trans | -144 | 62.3 | -174.6 | 52.6 | 0 | 0 | 0 | 0 | 111.2 | D236 | D236-S239 PolarHBondContact OD1-N 3.23Å; D236-S239 PolarHBondContact OD1-OG 2.68Å |
| 240 | P | 78.5 | Confident | 86.3 | Confident | 18 Ų | 18 | 59.7 Ų | 59.7 | 12% | 0.117 | 31% | 0.306 | C | S | . | . | trans | -61.8 | 143 | 179.8 | 27.9 | -34.7 | 0 | 0 | 0 | 110.3 | I167 L172 S234 D236 | I167-P240 HydrophobicContact CD1-CG 4.25Å; L172-P240 WeakPolarHBondContact O-CG 3.42Å; S234-P240 WeakPolarHBondContact O-CA 3.47Å; D236-P240 WeakPolarHBondContact O-CA 3.39Å; D236-P240 WeakPolarHBondContact O-CD 3.31Å; D236-P240 VanDerWaalsContact O-N 3.16Å | ||
| 241 | T | 87.8 | Confident | 86.5 | Confident | 33 Ų | 33 | 58.2 Ų | 58.2 | 20% | 0.202 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 112 | 170.1 | -50.2 | 0 | 0 | 0 | 0 | 108.1 | I167 A168 H233 S234 | I167-T241 WeakPolarHBondContact O-CA 3.43Å; A168-T241 HydrophobicContact CB-CG2 4.14Å; H233-T241 HydrophobicContact CB-CG2 4.09Å; H233-T241 PolarHBondContact N-O 3.49Å; S234-T241 PolarHBondContact N-O 3.1Å; S234-T241 VanDerWaalsContact N-O 3.1Å; S234-T241 PolarHBondContact O-N 3.32Å |
| 242 | A | 92.2 | Very high | 86.7 | Confident | 1 Ų | 1 | 59.9 Ų | 59.9 | 1% | 0.008 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 150.7 | -178.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | K166 I167 V174 L178 I230 V231 T232 | K166-A242 WeakPolarHBondContact CA-O 3.23Å; I167-A242 HydrophobicContact CG1-CB 4.4Å; I167-A242 PolarHBondContact N-O 3.4Å; I167-A242 PolarHBondContact O-N 3.14Å; V174-A242 HydrophobicContact CG2-CB 3.9Å; L178-A242 HydrophobicContact CD2-CB 4.02Å; I230-A242 HydrophobicContact CG2-CB 4.48Å; V231-A242 CarbonylContact O-C 3.46Å; V231-A242 VanDerWaalsContact O-CA 3.26Å; V231-A242 WeakPolarHBondContact O-CA 3.43Å; T232-A242 HydrophobicContact CG2-CB 4.48Å |
| 243 | Y | 94.4 | Very high | 87.1 | Confident | 3 Ų | 3 | 60.7 Ų | 60.7 | 1% | 0.012 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 162.5 | 174.9 | 73.6 | -85.3 | 0 | 0 | 0 | 112.2 | V54 I165 V231 H233 R245 | V54-Y243 HydrophobicContact CG1-CD2 3.86Å; V54-Y243 HydrophobicContact CG1-CG 4.15Å; V54-Y243 HydrophobicContact CG2-CD2 4.3Å; V54-Y243 HydrophobicContact CG2-CG 4.21Å; I165-Y243 CarbonylContact O-C 3.58Å; I165-Y243 WeakPolarHBondContact O-CA 3.44Å; I165-Y243 VanDerWaalsContact O-CB 3.29Å; I165-Y243 WeakPolarHBondContact O-CB 3.5Å; V231-Y243 HydrophobicContact CB-CD1 3.95Å; V231-Y243 HydrophobicContact CB-CD2 4.48Å; V231-Y243 HydrophobicContact CB-CE1 3.43Å; V231-Y243 VanDerWaalsContact CB-CE1 3.43Å; V231-Y243 HydrophobicContact CB-CE2 4.05Å; V231-Y243 HydrophobicContact CB-CG 4.45Å; V231-Y243 HydrophobicContact CG1-CD1 4.26Å; V231-Y243 HydrophobicContact CG1-CE1 3.39Å; V231-Y243 HydrophobicContact CG2-CE1 4.27Å; V231-Y243 HydrophobicContact CG2-CE2 4.09Å; V231-Y243 PolarHBondContact N-O 3.1Å; V231-Y243 PolarHBondContact O-N 3.46Å; H233-Y243 AromaticContact CD2-CD1 3.67Å; H233-Y243 AromaticContact CD2-CE1 3.5Å; H233-Y243 VanDerWaalsContact CD2-CE1 3.5Å; H233-Y243 WeakPolarHBondContact CD2-CE1 3.42Å; H233-Y243 AromaticContact NE2-CD1 3.89Å; H233-Y243 AromaticContact NE2-CE1 3.24Å; H233-Y243 WeakPolarHBondContact NE2-CE1 3.41Å; Y243-R245 HydrophobicContact CE2-CB 4.49Å |
| 244 | L | 94.6 | Very high | 87.7 | Confident | 7 Ų | 7 | 56.9 Ų | 56.9 | 4% | 0.037 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 125.2 | 175.5 | -61.6 | -174.4 | 0 | 0 | 0 | 110.2 | I165 L178 G179 P228 E229 I230 L246 | I165-L244 HydrophobicContact CB-CB 4.45Å; I165-L244 PolarHBondContact O-N 3.25Å; L178-L244 HydrophobicContact CD1-CD2 4.32Å; L178-L244 HydrophobicContact CD1-CG 3.89Å; L178-L244 HydrophobicContact CD2-CD2 3.55Å; L178-L244 HydrophobicContact CD2-CG 4.06Å; L178-L244 HydrophobicContact CG-CD1 4.2Å; L178-L244 HydrophobicContact CG-CD2 3.61Å; L178-L244 HydrophobicContact CG-CG 3.67Å; G179-L244 VanDerWaalsContact CA-CD1 3.49Å; P228-L244 HydrophobicContact CB-CB 4Å; P228-L244 HydrophobicContact CB-CD1 4.12Å; P228-L244 HydrophobicContact CB-CD2 4.1Å; P228-L244 HydrophobicContact CB-CG 4.29Å; P228-L244 HydrophobicContact CG-CD1 4.19Å; E229-L244 WeakPolarHBondContact O-CA 3.24Å; I230-L244 HydrophobicContact CB-CD2 4.5Å; I230-L244 HydrophobicContact CG1-CD2 3.73Å; L244-L246 HydrophobicContact CB-CD2 4.04Å |
| 245 | R | 92 | Very high | 88.4 | Confident | 34 Ų | 34 | 57.3 Ų | 57.3 | 13% | 0.128 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 109.8 | 161 | -172.6 | 178.9 | -68.8 | 135.6 | -9.7 | 108.5 | N41 E229 Y243 R247 | N41-R245 PolarHBondContact O-NH2 2.81Å; N41-R245 VanDerWaalsContact O-NH2 3.12Å; E229-R245 HydrophobicContact CB-CB 4.26Å; E229-R245 PolarHBondContact N-O 3.16Å; E229-R245 VanDerWaalsContact N-O 3.12Å; E229-R245 PolarHBondContact O-N 3.2Å; E229-R245 IonicContact OE1-NH1 3.98Å; E229-R245 PolarHBondContact OE1-NH1 3.37Å; E229-R245 WeakPolarHBondContact OE2-CD 3.34Å; E229-R245 IonicContact OE2-CZ 3.17Å; E229-R245 IonicContact OE2-NE 3.96Å; E229-R245 IonicContact OE2-NH1 3.73Å; E229-R245 PolarHBondContact OE2-NH1 2.86Å; Y243-R245 HydrophobicContact CE2-CB 4.49Å; R245-R247 PolarHBondContact O-N 2.92Å |
| 246 | L | 92.8 | Very high | 89.1 | Confident | 7 Ų | 7 | 54.5 Ų | 54.5 | 4% | 0.037 | 29% | 0.294 | C | S | . | . | trans | -77.4 | 118.5 | -179.2 | -52 | 178.1 | 0 | 0 | 0 | 109.2 | A58 I163 I165 V211 L224 P228 L244 L249 | A58-L246 HydrophobicContact CB-CD1 4.26Å; I163-L246 HydrophobicContact CD1-CD2 4.49Å; I165-L246 HydrophobicContact CG2-CD1 4.44Å; I165-L246 HydrophobicContact CG2-CD2 4.46Å; V211-L246 HydrophobicContact CB-CD1 4.38Å; V211-L246 HydrophobicContact CG1-CD1 3.83Å; V211-L246 HydrophobicContact CG2-CD1 4.39Å; L224-L246 HydrophobicContact CD2-CD2 4.02Å; P228-L246 HydrophobicContact CB-CD2 4.09Å; P228-L246 HydrophobicContact CG-CD2 3.99Å; L244-L246 HydrophobicContact CB-CD2 4.04Å; L246-L249 HydrophobicContact CB-CD1 4.35Å; L246-L249 HydrophobicContact CB-CD2 4.37Å | ||
| 247 | R | 88.7 | Confident | 89.9 | Confident | 123 Ų | 123 | 58.6 Ų | 58.6 | 46% | 0.464 | 32% | 0.316 | S | S | . | . | trans | -117.1 | 150.8 | 177.1 | -60.8 | -175.2 | -178.3 | -154.4 | 0.8 | 109.4 | S226 E229 R245 | S226-R247 PolarHBondContact OG-O 3.46Å; E229-R247 IonicContact OE1-NH2 2.82Å; E229-R247 IonicContact OE2-CZ 2.75Å; E229-R247 VanDerWaalsContact OE2-CZ 3.27Å; E229-R247 IonicContact OE2-NE 3.13Å; E229-R247 PolarHBondContact OE2-NE 3.25Å; E229-R247 IonicContact OE2-NH2 3.44Å; E229-R247 PolarHBondContact OE2-NH2 2.87Å; R245-R247 PolarHBondContact O-N 2.92Å | ||
| 248 | N | 90.5 | Very high | 91.1 | Very high | 96 Ų | 96 | 57.4 Ų | 57.4 | 51% | 0.513 | 30% | 0.301 | S | S | . | . | S | Bend | trans | 54.9 | 61.5 | 174 | -48.8 | -45.6 | 0 | 0 | 0 | 113.1 | Q225 S226 | Q225-N248 HydrophobicContact CB-CB 3.92Å; Q225-N248 WeakPolarHBondContact CB-O 3.36Å; Q225-N248 WeakPolarHBondContact CG-O 3.48Å; Q225-N248 PolarHBondContact N-O 2.81Å; S226-N248 PolarHBondContact OG-ND2 3.31Å |
| 249 | L | 95.9 | Very high | 92.5 | Very high | 11 Ų | 11 | 50.9 Ų | 50.9 | 6% | 0.058 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 144.6 | 172.2 | -61.9 | 174.3 | 0 | 0 | 0 | 110.2 | A58 Y61 I222 R223 L224 L246 | A58-L249 HydrophobicContact CB-CD1 3.97Å; Y61-L249 HydrophobicContact CD1-CB 3.9Å; Y61-L249 HydrophobicContact CD2-CB 3.98Å; Y61-L249 HydrophobicContact CD2-CD1 3.74Å; Y61-L249 VanDerWaalsContact CE1-C 3.49Å; Y61-L249 HydrophobicContact CE1-CB 3.61Å; Y61-L249 WeakPolarHBondContact CE1-O 3.38Å; Y61-L249 HydrophobicContact CE2-CB 3.7Å; Y61-L249 HydrophobicContact CE2-CD1 3.94Å; Y61-L249 HydrophobicContact CE2-CG 4.37Å; Y61-L249 HydrophobicContact CG-CB 4.08Å; Y61-L249 HydrophobicContact CG-CD1 4.26Å; Y61-L249 VanDerWaalsContact CZ-CB 3.49Å; Y61-L249 PolarHBondContact OH-O 3.18Å; I222-L249 HydrophobicContact CG2-CB 4.24Å; I222-L249 HydrophobicContact CG2-CD1 4.4Å; I222-L249 HydrophobicContact CG2-CD2 3.94Å; I222-L249 HydrophobicContact CG2-CG 4.43Å; R223-L249 WeakPolarHBondContact O-CA 3.5Å; L224-L249 HydrophobicContact CD2-CD2 3.42Å; L224-L249 VanDerWaalsContact CD2-CD2 3.42Å; L224-L249 HydrophobicContact CG-CD2 4.37Å; L246-L249 HydrophobicContact CB-CD1 4.35Å; L246-L249 HydrophobicContact CB-CD2 4.37Å |
| 250 | L | 97.3 | Very high | 93.6 | Very high | 55 Ų | 55 | 49.5 Ų | 49.5 | 29% | 0.288 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 157.2 | 172.1 | 85.3 | 113 | 0 | 0 | 0 | 111 | I222 R223 Q225 E252 | I222-L250 WeakPolarHBondContact CA-O 3.3Å; R223-L250 HydrophobicContact CB-CD2 3.63Å; R223-L250 HydrophobicContact CB-CG 3.85Å; R223-L250 HydrophobicContact CG-CD2 4.49Å; R223-L250 PolarHBondContact N-O 2.85Å; R223-L250 PolarHBondContact O-N 3.02Å; Q225-L250 HydrophobicContact CG-CB 4.16Å; Q225-L250 HydrophobicContact CG-CD2 3.18Å; Q225-L250 HydrophobicContact CG-CG 4.23Å; L250-E252 HydrophobicContact CD1-CB 4.32Å |
| 251 | L | 98.2 | Very high | 94.3 | Very high | 61 Ų | 61 | 55 Ų | 55 | 32% | 0.319 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 127.2 | 170.1 | -65.5 | 171.9 | 0 | 0 | 0 | 110.1 | Y61 N64 A65 I222 | Y61-L251 HydrophobicContact CD1-CD2 4.13Å; Y61-L251 HydrophobicContact CD1-CG 3.98Å; N64-L251 HydrophobicContact CB-CD1 3.44Å; N64-L251 VanDerWaalsContact CB-CD1 3.44Å; A65-L251 HydrophobicContact CB-CD2 4.27Å; I222-L251 HydrophobicContact CG1-CD2 3.9Å |
| 252 | E | 97.8 | Very high | 94.6 | Very high | 64 Ų | 64 | 56.1 Ų | 56.1 | 30% | 0.299 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 118.3 | 175 | -173.2 | -174.6 | 177.3 | 0 | 0 | 109 | S220 R221 R223 L250 | S220-E252 CarbonylContact C-O 3.59Å; S220-E252 WeakPolarHBondContact CA-O 3.44Å; S220-E252 WeakPolarHBondContact CB-O 3.45Å; R221-E252 HydrophobicContact CG-CB 3.85Å; R221-E252 HydrophobicContact CG-CG 4.47Å; R221-E252 IonicContact CZ-OE1 2.69Å; R221-E252 IonicContact CZ-OE2 3.45Å; R221-E252 PolarHBondContact N-O 3.21Å; R221-E252 IonicContact NE-OE1 3.52Å; R221-E252 IonicContact NE-OE2 3.51Å; R221-E252 PolarHBondContact NE-OE2 3.12Å; R221-E252 IonicContact NH2-OE1 3.34Å; R221-E252 PolarHBondContact NH2-OE1 3.23Å; R221-E252 IonicContact NH2-OE2 3.91Å; R221-E252 PolarHBondContact NH2-OE2 3.4Å; R221-E252 PolarHBondContact O-N 3.42Å; R223-E252 HydrophobicContact CG-CB 4.28Å; R223-E252 WeakPolarHBondContact CG-OE2 3.35Å; R223-E252 IonicContact CZ-OE2 3.08Å; R223-E252 IonicContact NE-OE2 2.73Å; R223-E252 PolarHBondContact NE-OE2 3.09Å; R223-E252 IonicContact NH2-OE1 3.55Å; R223-E252 IonicContact NH2-OE2 2.74Å; R223-E252 PolarHBondContact NH2-OE2 2.87Å; R223-E252 VanDerWaalsContact NH2-OE2 3.08Å; L250-E252 HydrophobicContact CD1-CB 4.32Å |
| 253 | A | 97.5 | Very high | 94.8 | Very high | 76 Ų | 76 | 57.7 Ų | 57.7 | 63% | 0.628 | 30% | 0.298 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -60.2 | 140.5 | -178.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||
| 254 | K | 96.5 | Very high | 94.8 | Very high | 22 Ų | 22 | 63.7 Ų | 63.7 | 10% | 0.096 | 33% | 0.326 | C | S | . | . | P | Polyproline II helix | trans | -100.9 | 150.4 | 178 | -67.8 | 171.7 | 60.9 | 178 | 0 | 111.5 | D214 C215 F218 N219 R221 V259 | D214-K254 WeakPolarHBondContact OD1-CD 3.2Å; D214-K254 WeakPolarHBondContact OD1-CE 3.21Å; D214-K254 IonicContact OD1-NZ 2.66Å; D214-K254 PolarHBondContact OD1-NZ 2.92Å; D214-K254 IonicContact OD2-NZ 3.81Å; D214-K254 PolarHBondContact OD2-NZ 2.92Å; C215-K254 PolarHBondContact O-NZ 3.31Å; F218-K254 WeakPolarHBondContact O-CD 3.35Å; F218-K254 PolarHBondContact O-NZ 2.97Å; N219-K254 PolarHBondContact O-N 3.14Å; N219-K254 VanDerWaalsContact O-N 3.07Å; R221-K254 HydrophobicContact CB-CD 4.23Å; R221-K254 HydrophobicContact CB-CG 4.42Å; R221-K254 HydrophobicContact CG-CG 4.45Å; K254-V259 HydrophobicContact CB-CG2 4.37Å |
| 255 | P | 96 | Very high | 94.9 | Very high | 55 Ų | 55 | 67 Ų | 67 | 36% | 0.357 | 34% | 0.341 | S | S | . | . | P | Polyproline II helix | trans | -55.3 | 142.7 | 164.1 | -22.9 | 34.4 | 0 | 0 | 0 | 111.4 | D257 E258 | P255-D257 WeakPolarHBondContact CB-OD1 3.49Å; P255-D257 PolarHBondContact O-N 3.06Å; P255-E258 HydrophobicContact CB-CG 4.37Å; P255-E258 HydrophobicContact CG-CG 4.46Å; P255-E258 PolarHBondContact O-N 3.01Å; P255-E258 VanDerWaalsContact O-N 3.12Å |
| 256 | L | 92.9 | Very high | 95.1 | Very high | 122 Ų | 122 | 65.3 Ų | 65.3 | 64% | 0.639 | 34% | 0.335 | S | S | * | . | G | 310 helix | trans | -64.5 | -24.2 | -176.2 | -72.2 | 172.7 | 0 | 0 | 0 | 113.5 | E258 V259 | L256-E258 VanDerWaalsContact C-N 3.32Å; L256-V259 PolarHBondContact O-N 3.39Å |
| 257 | D | 93.8 | Very high | 95.2 | Very high | 145 Ų | 145 | 67.3 Ų | 67.3 | 78% | 0.775 | 35% | 0.346 | S | S | * | . | G | 310 helix | trans | -75.2 | -17.7 | 177.2 | 56.6 | -55.7 | 0 | 0 | 0 | 113.5 | P255 V259 | P255-D257 WeakPolarHBondContact CB-OD1 3.49Å; P255-D257 PolarHBondContact O-N 3.06Å; D257-V259 VanDerWaalsContact C-N 3.32Å |
| 258 | E | 94.2 | Very high | 95.5 | Very high | 86 Ų | 86 | 65.3 Ų | 65.3 | 40% | 0.402 | 35% | 0.35 | S | S | . | . | G | 310 helix | trans | -83.7 | -7.2 | 171.6 | -65.8 | -179.9 | -164.6 | 0 | 0 | 112.9 | R221 P255 L256 | R221-E258 IonicContact NH1-OE2 3.47Å; P255-E258 HydrophobicContact CB-CG 4.37Å; P255-E258 HydrophobicContact CG-CG 4.46Å; P255-E258 PolarHBondContact O-N 3.01Å; P255-E258 VanDerWaalsContact O-N 3.12Å; L256-E258 VanDerWaalsContact C-N 3.32Å |
| 259 | V | 97.3 | Very high | 95.7 | Very high | 4 Ų | 4 | 62.7 Ų | 62.7 | 2% | 0.024 | 34% | 0.336 | C | S | . | . | trans | -105.1 | 115.9 | -173.9 | -171 | 0 | 0 | 0 | 0 | 111.2 | P216 F218 K254 L256 D257 R261 | P216-V259 CarbonylContact O-C 3.59Å; P216-V259 WeakPolarHBondContact O-CA 3.47Å; F218-V259 WeakPolarHBondContact O-CG2 3.48Å; K254-V259 HydrophobicContact CB-CG2 4.37Å; L256-V259 PolarHBondContact O-N 3.39Å; D257-V259 VanDerWaalsContact C-N 3.32Å; V259-R261 HydrophobicContact CG1-CG 4.37Å | ||
| 260 | C | 96.8 | Very high | 95.5 | Very high | 16 Ų | 16 | 67.6 Ų | 67.6 | 11% | 0.108 | 36% | 0.357 | C | S | . | . | trans | -88 | 132.7 | 173.6 | -65.5 | 0 | 0 | 0 | 0 | 110.9 | P216 Q265 F266 | P216-C260 HydrophobicContact CB-CB 4.01Å; P216-C260 PolarHBondContact O-N 3.02Å; C260-Q265 HydrophobicContact CB-CB 4.1Å; C260-F266 HydrophobicContact CB-CD1 4Å; C260-F266 HydrophobicContact CB-CD2 4.38Å; C260-F266 HydrophobicContact CB-CE1 3.41Å; C260-F266 VanDerWaalsContact CB-CE1 3.41Å; C260-F266 HydrophobicContact CB-CE2 3.84Å; C260-F266 HydrophobicContact CB-CG 4.39Å; C260-F266 HydrophobicContact CB-CZ 3.26Å; C260-F266 WeakPolarHBondContact O-CZ 3.44Å | ||
| 261 | R | 93.6 | Very high | 95 | Very high | 134 Ų | 134 | 65.4 Ų | 65.4 | 51% | 0.506 | 35% | 0.348 | S | S | . | . | trans | -128.3 | -28.2 | -179.3 | -62.5 | -171.8 | 177.5 | 105 | 2.1 | 113.4 | N219 V259 | N219-R261 PolarHBondContact OD1-NH2 2.9Å; N219-R261 VanDerWaalsContact OD1-NH2 3.09Å; V259-R261 HydrophobicContact CG1-CG 4.37Å | ||
| 262 | T | 94.7 | Very high | 94 | Very high | 56 Ų | 56 | 70.7 Ų | 70.7 | 34% | 0.344 | 37% | 0.368 | S | S | . | . | S | Bend | trans | -108.8 | 153.5 | -175.9 | 84.5 | 0 | 0 | 0 | 0 | 112 | E264 Q265 F266 | T262-E264 WeakPolarHBondContact CB-OE2 3.39Å; T262-E264 PolarHBondContact O-N 2.74Å; T262-E264 PolarHBondContact OG1-N 3.34Å; T262-E264 PolarHBondContact OG1-OE2 3.33Å; T262-Q265 VanDerWaalsContact N-OE1 3.09Å; T262-Q265 PolarHBondContact O-N 3.03Å; T262-Q265 VanDerWaalsContact O-N 3.12Å; T262-Q265 PolarHBondContact OG1-N 3.15Å; T262-F266 WeakPolarHBondContact O-CD2 3.42Å; T262-F266 PolarHBondContact O-N 2.85Å |
| 263 | P | 95.1 | Very high | 92.8 | Very high | 35 Ų | 35 | 69.1 Ų | 69.1 | 23% | 0.227 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -51.1 | -39.3 | 174.4 | -26.2 | 33.7 | 0 | 0 | 0 | 113.3 | Q265 F266 L267 | P263-Q265 VanDerWaalsContact C-N 3.35Å; P263-Q265 PolarHBondContact O-N 3.38Å; P263-F266 PolarHBondContact O-N 3.19Å; P263-L267 WeakPolarHBondContact O-CB 3.3Å; P263-L267 VanDerWaalsContact O-CG 3.24Å; P263-L267 WeakPolarHBondContact O-CG 3.12Å; P263-L267 PolarHBondContact O-N 3.35Å |
| 264 | E | 95.6 | Very high | 91.4 | Very high | 128 Ų | 128 | 70.6 Ų | 70.6 | 60% | 0.598 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -64.7 | -38.8 | -178.6 | -58.1 | 71.7 | -152.8 | 0 | 0 | 111.8 | T262 L267 S268 | T262-E264 WeakPolarHBondContact CB-OE2 3.39Å; T262-E264 PolarHBondContact O-N 2.74Å; T262-E264 PolarHBondContact OG1-N 3.34Å; T262-E264 PolarHBondContact OG1-OE2 3.33Å; E264-L267 PolarHBondContact O-N 3.26Å; E264-S268 WeakPolarHBondContact O-CB 3.04Å; E264-S268 PolarHBondContact O-N 2.96Å |
| 265 | Q | 96.1 | Very high | 89.7 | Confident | 76 Ų | 76 | 71.5 Ų | 71.5 | 36% | 0.355 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -63.9 | -46.2 | 175.9 | -68.2 | 177.5 | -51.6 | 0 | 0 | 110.6 | C260 T262 P263 L267 S268 L269 | C260-Q265 HydrophobicContact CB-CB 4.1Å; T262-Q265 VanDerWaalsContact N-OE1 3.09Å; T262-Q265 PolarHBondContact O-N 3.03Å; T262-Q265 VanDerWaalsContact O-N 3.12Å; T262-Q265 PolarHBondContact OG1-N 3.15Å; P263-Q265 VanDerWaalsContact C-N 3.35Å; P263-Q265 PolarHBondContact O-N 3.38Å; Q265-L267 PolarHBondContact O-N 3.18Å; Q265-S268 PolarHBondContact O-N 3.48Å; Q265-S268 PolarHBondContact O-OG 3.31Å; Q265-L269 PolarHBondContact O-N 3.32Å |
| 266 | F | 95.9 | Very high | 88 | Confident | 0 Ų | 0 | 72.3 Ų | 72.3 | 0% | 0 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -61.9 | -45.1 | 176 | -71.6 | -68.9 | 0 | 0 | 0 | 112.7 | M18 I21 V22 P216 I217 C260 T262 P263 S268 L269 F287 | M18-F266 HydrophobicContact CB-CE1 4.41Å; M18-F266 HydrophobicContact CE-CD1 3.84Å; M18-F266 HydrophobicContact CE-CE1 3.55Å; M18-F266 HydrophobicContact CG-CE1 4.3Å; I21-F266 HydrophobicContact CB-CE2 4.27Å; I21-F266 HydrophobicContact CG2-CD2 3.93Å; I21-F266 HydrophobicContact CG2-CE2 3.58Å; V22-F266 HydrophobicContact CG2-CB 3.37Å; V22-F266 HydrophobicContact CG2-CD2 4.24Å; V22-F266 HydrophobicContact CG2-CG 3.85Å; P216-F266 HydrophobicContact CB-CE1 4.36Å; I217-F266 HydrophobicContact CG2-CE1 3.69Å; I217-F266 HydrophobicContact CG2-CE2 4.23Å; I217-F266 HydrophobicContact CG2-CZ 3.21Å; C260-F266 HydrophobicContact CB-CD1 4Å; C260-F266 HydrophobicContact CB-CD2 4.38Å; C260-F266 HydrophobicContact CB-CE1 3.41Å; C260-F266 VanDerWaalsContact CB-CE1 3.41Å; C260-F266 HydrophobicContact CB-CE2 3.84Å; C260-F266 HydrophobicContact CB-CG 4.39Å; C260-F266 HydrophobicContact CB-CZ 3.26Å; C260-F266 WeakPolarHBondContact O-CZ 3.44Å; T262-F266 WeakPolarHBondContact O-CD2 3.42Å; T262-F266 PolarHBondContact O-N 2.85Å; P263-F266 PolarHBondContact O-N 3.19Å; F266-S268 PolarHBondContact O-N 3.46Å; F266-L269 HydrophobicContact CD1-CD1 3.91Å; F266-L269 WeakPolarHBondContact O-CB 3.46Å; F266-L269 PolarHBondContact O-N 2.88Å; F266-L269 VanDerWaalsContact O-N 3.08Å; F266-F287 HydrophobicContact CB-CD2 3.99Å; F266-F287 HydrophobicContact CB-CE2 4.33Å; F266-F287 HydrophobicContact CB-CG 4.43Å; F266-F287 HydrophobicContact CD1-CD2 4.42Å; F266-F287 AromaticContact CD1-CE2 3.92Å; F266-F287 HydrophobicContact CD1-CE2 3.92Å; F266-F287 HydrophobicContact CD1-CZ 4.28Å; F266-F287 WeakPolarHBondContact O-CD2 3.48Å |
| 267 | L | 95.7 | Very high | 86.4 | Confident | 49 Ų | 49 | 74.7 Ų | 74.7 | 26% | 0.257 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -65 | -23.1 | 178.5 | -69.5 | 167.4 | 0 | 0 | 0 | 112.7 | V22 P263 E264 Q265 F287 T289 | V22-L267 HydrophobicContact CG1-CD2 4.02Å; V22-L267 HydrophobicContact CG1-CG 4.34Å; P263-L267 WeakPolarHBondContact O-CB 3.3Å; P263-L267 VanDerWaalsContact O-CG 3.24Å; P263-L267 WeakPolarHBondContact O-CG 3.12Å; P263-L267 PolarHBondContact O-N 3.35Å; E264-L267 PolarHBondContact O-N 3.26Å; Q265-L267 PolarHBondContact O-N 3.18Å; L267-F287 HydrophobicContact CD2-CB 4.29Å; L267-T289 HydrophobicContact CD1-CG2 4.05Å; L267-T289 HydrophobicContact CD2-CG2 3.91Å |
| 268 | S | 95.1 | Very high | 84.7 | Confident | 81 Ų | 81 | 73.1 Ų | 73.1 | 57% | 0.566 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -81.7 | -13.9 | 174.9 | 77.6 | 0 | 0 | 0 | 0 | 114.3 | E264 Q265 F266 K270 | E264-S268 WeakPolarHBondContact O-CB 3.04Å; E264-S268 PolarHBondContact O-N 2.96Å; Q265-S268 PolarHBondContact O-N 3.48Å; Q265-S268 PolarHBondContact O-OG 3.31Å; F266-S268 PolarHBondContact O-N 3.46Å; S268-K270 PolarHBondContact O-N 3.09Å |
| 269 | L | 94.8 | Very high | 83.2 | Confident | 40 Ų | 40 | 75.4 Ų | 75.4 | 21% | 0.209 | 39% | 0.386 | C | S | . | . | trans | -62.6 | 136.4 | -179.5 | -69.5 | 173.1 | 0 | 0 | 0 | 111.1 | P216 Q265 F266 P286 F287 | P216-L269 HydrophobicContact CB-CD1 4.34Å; P216-L269 HydrophobicContact CG-CD1 4.14Å; Q265-L269 PolarHBondContact O-N 3.32Å; F266-L269 HydrophobicContact CD1-CD1 3.91Å; F266-L269 WeakPolarHBondContact O-CB 3.46Å; F266-L269 PolarHBondContact O-N 2.88Å; F266-L269 VanDerWaalsContact O-N 3.08Å; L269-P286 HydrophobicContact CB-CG 4.17Å; L269-P286 WeakPolarHBondContact O-CD 3.47Å; L269-F287 HydrophobicContact CD1-CD2 4.4Å; L269-F287 HydrophobicContact CD1-CE2 3.94Å | ||
| 270 | K | 91.4 | Very high | 81.9 | Confident | 114 Ų | 114 | 76.8 Ų | 76.8 | 50% | 0.496 | 40% | 0.396 | S | S | . | . | trans | -129.8 | 118.6 | 172.6 | -60 | -63.3 | 169.9 | -162.6 | 0 | 108.9 | S268 S285 | S268-K270 PolarHBondContact O-N 3.09Å; K270-S285 VanDerWaalsContact NZ-CB 3.34Å; K270-S285 PolarHBondContact NZ-OG 3.12Å | ||
| 271 | G | 86.6 | Confident | 80.7 | Confident | 10 Ų | 10 | 80.5 Ų | 80.5 | 10% | 0.103 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 154.8 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | S157 E283 R284 | S157-G271 VanDerWaalsContact O-CA 3.29Å; S157-G271 WeakPolarHBondContact O-CA 3.24Å; S157-G271 PolarHBondContact O-N 3.44Å; G271-E283 WeakPolarHBondContact O-CA 3.43Å; G271-R284 PolarHBondContact N-O 3.16Å; G271-R284 PolarHBondContact O-N 3.34Å |
| 272 | K | 77 | Confident | 80.2 | Confident | 172 Ų | 172 | 79.2 Ų | 79.2 | 75% | 0.748 | 42% | 0.418 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 119.6 | 169.3 | -67.4 | -177.4 | -178.9 | 178.5 | 0 | 109 | ||
| 273 | H | 72.8 | Confident | 79.9 | Confident | 30 Ų | 30 | 84.1 Ų | 84.1 | 14% | 0.139 | 44% | 0.437 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 128.6 | 169.6 | -180 | -88.6 | 0 | 0 | 0 | 109.6 | E153 R190 T281 H282 R284 | E153-H273 VanDerWaalsContact CD-CD2 3.47Å; E153-H273 IonicContact OE1-CD2 2.87Å; E153-H273 IonicContact OE1-CE1 2.95Å; E153-H273 IonicContact OE1-NE2 3.48Å; E153-H273 PolarHBondContact OE1-NE2 3.39Å; E153-H273 IonicContact OE2-CD2 3.95Å; E153-H273 PolarHBondContact OE2-CD2 2.97Å; E153-H273 IonicContact OE2-NE2 3.95Å; E153-H273 PolarHBondContact OE2-NE2 3.04Å; R190-H273 PolarHBondContact NH1-NE2 3.43Å; R190-H273 VanDerWaalsContact NH1-NE2 3.19Å; H273-T281 VanDerWaalsContact O-CA 3.27Å; H273-T281 WeakPolarHBondContact O-CA 3.49Å; H273-H282 PolarHBondContact N-O 3.25Å; H273-H282 PolarHBondContact O-N 3.49Å; H273-R284 HydrophobicContact CB-CB 4.26Å |
| 274 | I | 67.4 | Low | 79.6 | Confident | 107 Ų | 107 | 85.3 Ų | 85.3 | 55% | 0.549 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 113 | 173.6 | -57.7 | 172.9 | 0 | 0 | 0 | 107.7 | V276 T281 | I274-V276 PolarHBondContact O-N 3.37Å; I274-T281 HydrophobicContact CG1-CG2 4.16Å |
| 275 | N | 61.7 | Low | 79.6 | Confident | 42 Ų | 42 | 81.4 Ų | 81.4 | 23% | 0.225 | 42% | 0.423 | C | S | . | . | trans | -84.9 | 105.9 | 169.4 | -167.1 | -11.1 | 0 | 0 | 0 | 109 | E277 N278 T279 S280 | N275-E277 PolarHBondContact O-N 3.24Å; N275-E277 PolarHBondContact OD1-N 2.94Å; N275-N278 PolarHBondContact O-N 3.12Å; N275-T279 WeakPolarHBondContact O-CA 3.29Å; N275-T279 PolarHBondContact O-N 2.95Å; N275-S280 PolarHBondContact N-O 3.06Å | ||
| 276 | V | 59.5 | Low | 79.6 | Confident | 71 Ų | 71 | 77.8 Ų | 77.8 | 43% | 0.43 | 41% | 0.407 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -28.6 | -176.3 | -179.5 | 0 | 0 | 0 | 0 | 111.8 | Y187 I274 N278 | Y187-V276 HydrophobicContact CD2-CG2 4.15Å; Y187-V276 HydrophobicContact CG-CG2 3.93Å; I274-V276 PolarHBondContact O-N 3.37Å; V276-N278 PolarHBondContact O-N 3.15Å |
| 277 | E | 59.7 | Low | 79.6 | Confident | 172 Ų | 172 | 78 Ų | 78 | 80% | 0.804 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.6 | -32.6 | 179.9 | -64.8 | -173.9 | 167.2 | 0 | 0 | 112.9 | N275 | N275-E277 PolarHBondContact O-N 3.24Å; N275-E277 PolarHBondContact OD1-N 2.94Å |
| 278 | N | 57.4 | Low | 79.4 | Confident | 113 Ų | 113 | 78.5 Ų | 78.5 | 60% | 0.604 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -118.7 | 0.1 | -173.1 | -74.2 | -22.6 | 0 | 0 | 0 | 114.3 | N275 V276 S280 | N275-N278 PolarHBondContact O-N 3.12Å; V276-N278 PolarHBondContact O-N 3.15Å; N278-S280 PolarHBondContact O-N 3.06Å |
| 279 | T | 62.1 | Low | 79.3 | Confident | 133 Ų | 133 | 76.8 Ų | 76.8 | 82% | 0.816 | 40% | 0.396 | S | S | * | . | trans | 52.5 | 12.3 | -171.2 | 53.3 | 0 | 0 | 0 | 0 | 114.6 | N275 | N275-T279 WeakPolarHBondContact O-CA 3.29Å; N275-T279 PolarHBondContact O-N 2.95Å | ||
| 280 | S | 70.1 | Confident | 79 | Confident | 33 Ų | 33 | 77.5 Ų | 77.5 | 23% | 0.231 | 40% | 0.403 | C | S | . | . | trans | -83.2 | 140.5 | 178.8 | 62.2 | 0 | 0 | 0 | 0 | 110.4 | N275 N278 H282 | N275-S280 PolarHBondContact N-O 3.06Å; N278-S280 PolarHBondContact O-N 3.06Å; S280-H282 PolarHBondContact OG-CD2 2.76Å; S280-H282 PolarHBondContact OG-NE2 2.96Å | ||
| 281 | T | 73.5 | Confident | 78.8 | Confident | 94 Ų | 94 | 79.6 Ų | 79.6 | 58% | 0.577 | 41% | 0.412 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 124.9 | 170.5 | 44 | 0 | 0 | 0 | 0 | 109 | H273 I274 | H273-T281 VanDerWaalsContact O-CA 3.27Å; H273-T281 WeakPolarHBondContact O-CA 3.49Å; I274-T281 HydrophobicContact CG1-CG2 4.16Å |
| 282 | H | 81.4 | Confident | 78.9 | Confident | 107 Ų | 107 | 83.8 Ų | 83.8 | 50% | 0.495 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 143.6 | 175.9 | -64.5 | -69.6 | 0 | 0 | 0 | 109.7 | H273 S280 | H273-H282 PolarHBondContact N-O 3.25Å; H273-H282 PolarHBondContact O-N 3.49Å; S280-H282 PolarHBondContact OG-CD2 2.76Å; S280-H282 PolarHBondContact OG-NE2 2.96Å |
| 283 | E | 88.3 | Confident | 79.3 | Confident | 159 Ų | 159 | 77.1 Ų | 77.1 | 74% | 0.743 | 40% | 0.4 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 129.5 | 170.2 | -71.9 | -175.7 | 176.5 | 0 | 0 | 109.5 | G271 | G271-E283 WeakPolarHBondContact O-CA 3.43Å |
| 284 | R | 90.6 | Very high | 79.8 | Confident | 61 Ų | 61 | 81.2 Ų | 81.2 | 23% | 0.23 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 131.7 | 176.8 | -175.1 | 170.9 | 178.3 | 99.3 | 17.4 | 109.4 | E150 E153 D154 G271 H273 P286 | E150-R284 PolarHBondContact O-NH2 3.48Å; E153-R284 IonicContact OE2-CZ 3.25Å; E153-R284 IonicContact OE2-NE 2.61Å; E153-R284 IonicContact OE2-NH1 3.09Å; E153-R284 PolarHBondContact OE2-NH1 2.94Å; D154-R284 IonicContact OD1-CZ 3.71Å; D154-R284 IonicContact OD1-NE 3.44Å; D154-R284 PolarHBondContact OD1-NE 3.27Å; D154-R284 IonicContact OD1-NH2 3.2Å; D154-R284 PolarHBondContact OD1-NH2 3.19Å; D154-R284 IonicContact OD2-NH2 2.73Å; G271-R284 PolarHBondContact N-O 3.16Å; G271-R284 PolarHBondContact O-N 3.34Å; H273-R284 HydrophobicContact CB-CB 4.26Å; R284-P286 WeakPolarHBondContact O-CD 3.48Å |
| 285 | S | 94.5 | Very high | 80.6 | Confident | 45 Ų | 45 | 82.5 Ų | 82.5 | 32% | 0.315 | 42% | 0.424 | S | S | . | . | trans | -88.1 | 112.2 | 172.4 | -155.6 | 0 | 0 | 0 | 0 | 108.2 | K270 F287 | K270-S285 VanDerWaalsContact NZ-CB 3.34Å; K270-S285 PolarHBondContact NZ-OG 3.12Å; S285-F287 PolarHBondContact O-N 2.87Å; S285-F287 PolarHBondContact OG-O 3.14Å | ||
| 286 | P | 95.7 | Very high | 81.5 | Confident | 1 Ų | 1 | 82.5 Ų | 82.5 | 1% | 0.006 | 43% | 0.427 | C | S | . | . | S | Bend | trans | -76.8 | -12.3 | -176.4 | 29.2 | -32.5 | 0 | 0 | 0 | 113.3 | Y15 D154 A158 L269 R284 | Y15-P286 PolarHBondContact OH-O 3.11Å; D154-P286 HydrophobicContact CB-CB 4.26Å; D154-P286 WeakPolarHBondContact O-CB 3.48Å; A158-P286 HydrophobicContact CB-CB 3.77Å; A158-P286 HydrophobicContact CB-CG 4.06Å; L269-P286 HydrophobicContact CB-CG 4.17Å; L269-P286 WeakPolarHBondContact O-CD 3.47Å; R284-P286 WeakPolarHBondContact O-CD 3.48Å |
| 287 | F | 96.3 | Very high | 82.4 | Confident | 3 Ų | 3 | 83.2 Ų | 83.2 | 1% | 0.013 | 43% | 0.427 | C | S | . | . | trans | -126.5 | 147.3 | -179.7 | -58.8 | -71.5 | 0 | 0 | 0 | 110.5 | Y15 M18 E19 V22 A158 F266 L267 L269 S285 | Y15-F287 HydrophobicContact CD2-CE1 4.12Å; Y15-F287 HydrophobicContact CD2-CZ 4.17Å; Y15-F287 HydrophobicContact CE2-CD1 4.31Å; Y15-F287 AromaticContact CE2-CE1 3.45Å; Y15-F287 HydrophobicContact CE2-CE1 3.45Å; Y15-F287 VanDerWaalsContact CE2-CE1 3.45Å; Y15-F287 AromaticContact CE2-CZ 3.66Å; Y15-F287 HydrophobicContact CE2-CZ 3.66Å; Y15-F287 AromaticContact CZ-CE1 3.92Å; M18-F287 HydrophobicContact CB-CE1 3.81Å; M18-F287 HydrophobicContact CB-CZ 3.69Å; M18-F287 HydrophobicContact CE-CE2 3.91Å; M18-F287 HydrophobicContact CE-CZ 3.56Å; M18-F287 HydrophobicContact CG-CZ 4.48Å; M18-F287 HydrophobicContact SD-CZ 4.14Å; E19-F287 HydrophobicContact CG-CD1 4.41Å; E19-F287 HydrophobicContact CG-CE1 4.27Å; V22-F287 HydrophobicContact CG1-CB 4.43Å; V22-F287 HydrophobicContact CG2-CB 4.09Å; V22-F287 HydrophobicContact CG2-CD1 3.74Å; V22-F287 HydrophobicContact CG2-CD2 4.46Å; V22-F287 HydrophobicContact CG2-CE1 4.32Å; V22-F287 HydrophobicContact CG2-CG 3.82Å; A158-F287 HydrophobicContact CB-CE2 3.93Å; A158-F287 HydrophobicContact CB-CZ 3.86Å; F266-F287 HydrophobicContact CB-CD2 3.99Å; F266-F287 HydrophobicContact CB-CE2 4.33Å; F266-F287 HydrophobicContact CB-CG 4.43Å; F266-F287 HydrophobicContact CD1-CD2 4.42Å; F266-F287 AromaticContact CD1-CE2 3.92Å; F266-F287 HydrophobicContact CD1-CE2 3.92Å; F266-F287 HydrophobicContact CD1-CZ 4.28Å; F266-F287 WeakPolarHBondContact O-CD2 3.48Å; L267-F287 HydrophobicContact CD2-CB 4.29Å; L269-F287 HydrophobicContact CD1-CD2 4.4Å; L269-F287 HydrophobicContact CD1-CE2 3.94Å; S285-F287 PolarHBondContact O-N 2.87Å; S285-F287 PolarHBondContact OG-O 3.14Å | ||
| 288 | I | 92.4 | Very high | 83.2 | Confident | 61 Ų | 61 | 78.2 Ų | 78.2 | 31% | 0.313 | 41% | 0.411 | S | S | . | . | trans | -117 | 154.7 | 172.5 | 63 | 174.5 | 0 | 0 | 0 | 109.4 | E292 R293 | I288-E292 HydrophobicContact CB-CB 4.07Å; I288-E292 HydrophobicContact CD1-CB 4.46Å; I288-R293 HydrophobicContact CD1-CB 3.94Å; I288-R293 HydrophobicContact CG1-CB 4.34Å | ||
| 289 | T | 91.5 | Very high | 84.2 | Confident | 45 Ų | 45 | 77.6 Ų | 77.6 | 28% | 0.276 | 41% | 0.407 | S | S | . | . | trans | -67.9 | 156.3 | 177.1 | 62.5 | 0 | 0 | 0 | 0 | 111.4 | L267 F291 E292 R293 | L267-T289 HydrophobicContact CD1-CG2 4.05Å; L267-T289 HydrophobicContact CD2-CG2 3.91Å; T289-F291 PolarHBondContact O-N 3.37Å; T289-F291 VanDerWaalsContact O-N 3.16Å; T289-E292 WeakPolarHBondContact CB-OE2 3.36Å; T289-E292 PolarHBondContact N-OE2 2.88Å; T289-E292 PolarHBondContact O-N 3.49Å; T289-E292 VanDerWaalsContact O-N 3.09Å; T289-E292 WeakPolarHBondContact OG1-CB 3.37Å; T289-E292 VanDerWaalsContact OG1-CD 3.29Å; T289-E292 VanDerWaalsContact OG1-CG 3.24Å; T289-E292 WeakPolarHBondContact OG1-CG 3.27Å; T289-E292 PolarHBondContact OG1-N 2.82Å; T289-E292 VanDerWaalsContact OG1-N 3.14Å; T289-E292 PolarHBondContact OG1-OE2 3.4Å; T289-R293 PolarHBondContact O-N 3.4Å | ||
| 290 | P | 88.3 | Confident | 84.9 | Confident | 55 Ų | 55 | 75.9 Ų | 75.9 | 36% | 0.357 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -54.5 | -33.7 | 171.8 | -28.6 | 36.4 | 0 | 0 | 0 | 113.3 | R293 L294 | P290-R293 PolarHBondContact O-N 3.21Å; P290-L294 WeakPolarHBondContact O-CB 3.46Å; P290-L294 VanDerWaalsContact O-CG 3.29Å; P290-L294 WeakPolarHBondContact O-CG 3.43Å; P290-L294 PolarHBondContact O-N 3.43Å |
| 291 | F | 88.2 | Confident | 85.1 | Confident | 157 Ų | 157 | 76.9 Ų | 76.9 | 69% | 0.689 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -67.6 | -44.4 | 176.5 | -178.4 | -100 | 0 | 0 | 0 | 112.3 | T289 R293 L294 K295 | T289-F291 PolarHBondContact O-N 3.37Å; T289-F291 VanDerWaalsContact O-N 3.16Å; F291-R293 VanDerWaalsContact C-N 3.33Å; F291-L294 PolarHBondContact O-N 3.13Å; F291-K295 PolarHBondContact O-N 3.01Å |
| 292 | E | 89.2 | Confident | 85.1 | Confident | 98 Ų | 98 | 74 Ų | 74 | 46% | 0.458 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -64.7 | -38.8 | 174.7 | -72.7 | 162.9 | 148.3 | 0 | 0 | 111.7 | I288 T289 K295 S296 | I288-E292 HydrophobicContact CB-CB 4.07Å; I288-E292 HydrophobicContact CD1-CB 4.46Å; T289-E292 WeakPolarHBondContact CB-OE2 3.36Å; T289-E292 PolarHBondContact N-OE2 2.88Å; T289-E292 PolarHBondContact O-N 3.49Å; T289-E292 VanDerWaalsContact O-N 3.09Å; T289-E292 WeakPolarHBondContact OG1-CB 3.37Å; T289-E292 VanDerWaalsContact OG1-CD 3.29Å; T289-E292 VanDerWaalsContact OG1-CG 3.24Å; T289-E292 WeakPolarHBondContact OG1-CG 3.27Å; T289-E292 PolarHBondContact OG1-N 2.82Å; T289-E292 VanDerWaalsContact OG1-N 3.14Å; T289-E292 PolarHBondContact OG1-OE2 3.4Å; E292-K295 PolarHBondContact O-N 3.11Å; E292-S296 WeakPolarHBondContact O-CB 3.43Å; E292-S296 PolarHBondContact O-N 2.83Å |
| 293 | R | 85.7 | Confident | 84.8 | Confident | 33 Ų | 33 | 75.2 Ų | 75.2 | 13% | 0.125 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -60.1 | -47.8 | 173.4 | -178.6 | 71.7 | 87.4 | 140.7 | 2.4 | 111 | E19 F142 I288 T289 P290 F291 K295 S296 I297 | E19-R293 IonicContact OE1-NH2 2.69Å; E19-R293 PolarHBondContact OE1-NH2 3.19Å; E19-R293 IonicContact OE2-CZ 3.47Å; E19-R293 IonicContact OE2-NH2 2.66Å; E19-R293 PolarHBondContact OE2-NH2 3.49Å; F142-R293 PolarHBondContact O-NH1 2.89Å; F142-R293 PolarHBondContact O-NH2 2.86Å; F142-R293 VanDerWaalsContact O-NH2 3.13Å; I288-R293 HydrophobicContact CD1-CB 3.94Å; I288-R293 HydrophobicContact CG1-CB 4.34Å; T289-R293 PolarHBondContact O-N 3.4Å; P290-R293 PolarHBondContact O-N 3.21Å; F291-R293 VanDerWaalsContact C-N 3.33Å; R293-K295 VanDerWaalsContact C-N 3.32Å; R293-K295 PolarHBondContact O-N 3.43Å; R293-S296 WeakPolarHBondContact O-CB 3.46Å; R293-S296 PolarHBondContact O-N 3.07Å; R293-I297 HydrophobicContact CG-CD1 4.07Å; R293-I297 WeakPolarHBondContact O-CG1 3.24Å; R293-I297 PolarHBondContact O-N 2.92Å |
| 294 | L | 82.5 | Confident | 84 | Confident | 116 Ų | 116 | 73.2 Ų | 73.2 | 61% | 0.607 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -60.2 | -41.1 | 176.2 | -74.8 | 170.7 | 0 | 0 | 0 | 112.1 | P290 F291 I297 S298 | P290-L294 WeakPolarHBondContact O-CB 3.46Å; P290-L294 VanDerWaalsContact O-CG 3.29Å; P290-L294 WeakPolarHBondContact O-CG 3.43Å; P290-L294 PolarHBondContact O-N 3.43Å; F291-L294 PolarHBondContact O-N 3.13Å; L294-I297 PolarHBondContact O-N 3.19Å; L294-S298 WeakPolarHBondContact O-CB 3.45Å; L294-S298 PolarHBondContact O-N 2.61Å |
| 295 | K | 83.4 | Confident | 83.1 | Confident | 134 Ų | 134 | 72.2 Ų | 72.2 | 58% | 0.583 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -62.9 | -42.8 | 174.9 | -172.6 | 179.9 | 178.2 | -175.9 | 0 | 111.7 | F291 E292 R293 S298 L299 | F291-K295 PolarHBondContact O-N 3.01Å; E292-K295 PolarHBondContact O-N 3.11Å; R293-K295 VanDerWaalsContact C-N 3.32Å; R293-K295 PolarHBondContact O-N 3.43Å; K295-S298 PolarHBondContact O-N 3.39Å; K295-L299 WeakPolarHBondContact O-CG 3.49Å; K295-L299 PolarHBondContact O-N 3.29Å; K295-L299 VanDerWaalsContact O-N 3.11Å |
| 296 | S | 81.6 | Confident | 82 | Confident | 42 Ų | 42 | 74.3 Ų | 74.3 | 29% | 0.294 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -62.3 | -45.7 | 175.8 | -178.3 | 0 | 0 | 0 | 0 | 111.7 | E292 R293 S298 L299 K300 | E292-S296 WeakPolarHBondContact O-CB 3.43Å; E292-S296 PolarHBondContact O-N 2.83Å; R293-S296 WeakPolarHBondContact O-CB 3.46Å; R293-S296 PolarHBondContact O-N 3.07Å; S296-S298 VanDerWaalsContact C-N 3.34Å; S296-S298 PolarHBondContact O-N 2.94Å; S296-L299 PolarHBondContact O-N 2.83Å; S296-K300 WeakPolarHBondContact O-CG 3.38Å; S296-K300 PolarHBondContact O-N 3.41Å |
| 297 | I | 77.8 | Confident | 80.7 | Confident | 85 Ų | 85 | 75.6 Ų | 75.6 | 44% | 0.436 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -59.4 | -47.2 | 175.7 | -68.3 | 165.9 | 0 | 0 | 0 | 110.1 | R293 L294 L299 K300 T301 | R293-I297 HydrophobicContact CG-CD1 4.07Å; R293-I297 WeakPolarHBondContact O-CG1 3.24Å; R293-I297 PolarHBondContact O-N 2.92Å; L294-I297 PolarHBondContact O-N 3.19Å; I297-L299 PolarHBondContact O-N 3.16Å; I297-K300 PolarHBondContact O-N 3.09Å; I297-T301 WeakPolarHBondContact O-CB 3.12Å; I297-T301 PolarHBondContact O-N 2.76Å; I297-T301 PolarHBondContact O-OG1 2.81Å |
| 298 | S | 76.8 | Confident | 79.5 | Confident | 67 Ų | 67 | 79.1 Ų | 79.1 | 47% | 0.469 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -56.8 | -38 | 178.3 | -177.2 | 0 | 0 | 0 | 0 | 112.5 | L294 K295 S296 C302 | L294-S298 WeakPolarHBondContact O-CB 3.45Å; L294-S298 PolarHBondContact O-N 2.61Å; K295-S298 PolarHBondContact O-N 3.39Å; S296-S298 VanDerWaalsContact C-N 3.34Å; S296-S298 PolarHBondContact O-N 2.94Å; S298-C302 PolarHBondContact O-N 3.12Å; S298-C302 PolarHBondContact O-SG 3.25Å |
| 299 | L | 79.2 | Confident | 78.5 | Confident | 100 Ų | 100 | 81.3 Ų | 81.3 | 52% | 0.524 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -71.9 | -48.7 | 176.9 | -69.5 | 169.9 | 0 | 0 | 0 | 111.4 | K295 S296 I297 T301 C302 E303 | K295-L299 WeakPolarHBondContact O-CG 3.49Å; K295-L299 PolarHBondContact O-N 3.29Å; K295-L299 VanDerWaalsContact O-N 3.11Å; S296-L299 PolarHBondContact O-N 2.83Å; I297-L299 PolarHBondContact O-N 3.16Å; L299-T301 PolarHBondContact O-N 3.21Å; L299-C302 WeakPolarHBondContact O-CB 3.43Å; L299-C302 PolarHBondContact O-N 3.33Å; L299-E303 PolarHBondContact O-N 2.82Å |
| 300 | K | 76.1 | Confident | 77.6 | Confident | 98 Ų | 98 | 83 Ų | 83 | 43% | 0.426 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -60.5 | -42.2 | 179.9 | -73.1 | -177.2 | 177 | -169.3 | 0 | 112.5 | S296 I297 C302 E303 E304 | S296-K300 WeakPolarHBondContact O-CG 3.38Å; S296-K300 PolarHBondContact O-N 3.41Å; I297-K300 PolarHBondContact O-N 3.09Å; K300-C302 VanDerWaalsContact C-N 3.28Å; K300-C302 PolarHBondContact O-N 2.94Å; K300-E303 WeakPolarHBondContact O-CB 3.48Å; K300-E303 PolarHBondContact O-N 3.31Å; K300-E303 VanDerWaalsContact O-N 3.14Å; K300-E304 WeakPolarHBondContact O-CB 3.5Å; K300-E304 PolarHBondContact O-N 3.21Å |
| 301 | T | 73.1 | Confident | 76.6 | Confident | 54 Ų | 54 | 84.5 Ų | 84.5 | 33% | 0.331 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -62 | -37 | 175 | -57.9 | 0 | 0 | 0 | 0 | 111.5 | I297 L299 I305 | I297-T301 WeakPolarHBondContact O-CB 3.12Å; I297-T301 PolarHBondContact O-N 2.76Å; I297-T301 PolarHBondContact O-OG1 2.81Å; L299-T301 PolarHBondContact O-N 3.21Å; T301-I305 HydrophobicContact CG2-CD1 4.01Å; T301-I305 WeakPolarHBondContact O-CB 3.49Å; T301-I305 WeakPolarHBondContact O-CD1 3.25Å; T301-I305 VanDerWaalsContact O-CG1 3.23Å; T301-I305 WeakPolarHBondContact O-CG1 3.29Å; T301-I305 PolarHBondContact O-N 3.33Å |
| 302 | C | 74.2 | Confident | 75.8 | Confident | 32 Ų | 32 | 79.1 Ų | 79.1 | 22% | 0.216 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -66 | -40.1 | 174.1 | -66.9 | 0 | 0 | 0 | 0 | 111.9 | S298 L299 K300 K306 Y456 | S298-C302 PolarHBondContact O-N 3.12Å; S298-C302 PolarHBondContact O-SG 3.25Å; L299-C302 WeakPolarHBondContact O-CB 3.43Å; L299-C302 PolarHBondContact O-N 3.33Å; K300-C302 VanDerWaalsContact C-N 3.28Å; K300-C302 PolarHBondContact O-N 2.94Å; C302-K306 WeakPolarHBondContact O-CB 3.35Å; C302-K306 PolarHBondContact O-N 3.33Å; C302-Y456 HydrophobicContact CB-CD2 4.42Å |
| 303 | E | 75.1 | Confident | 74.8 | Confident | 134 Ų | 134 | 79 Ų | 79 | 63% | 0.626 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -65.5 | -41.6 | 177 | -69.4 | 174.8 | 162.5 | 0 | 0 | 111.9 | L299 K300 K306 G307 | L299-E303 PolarHBondContact O-N 2.82Å; K300-E303 WeakPolarHBondContact O-CB 3.48Å; K300-E303 PolarHBondContact O-N 3.31Å; K300-E303 VanDerWaalsContact O-N 3.14Å; E303-K306 WeakPolarHBondContact O-CB 3.24Å; E303-K306 PolarHBondContact O-N 3.06Å; E303-G307 PolarHBondContact O-N 2.95Å |
| 304 | E | 70.9 | Confident | 74 | Confident | 116 Ų | 116 | 82 Ų | 82 | 54% | 0.542 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -61.1 | -51.2 | 175.2 | -173.8 | -179.5 | -175.9 | 0 | 0 | 111.2 | K300 K306 G307 D308 | K300-E304 WeakPolarHBondContact O-CB 3.5Å; K300-E304 PolarHBondContact O-N 3.21Å; E304-K306 PolarHBondContact O-N 3.48Å; E304-G307 WeakPolarHBondContact O-CA 3.19Å; E304-G307 PolarHBondContact O-N 3.33Å; E304-D308 PolarHBondContact O-N 3.41Å |
| 305 | I | 73.2 | Confident | 73.4 | Confident | 41 Ų | 41 | 85.1 Ų | 85.1 | 21% | 0.21 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -56.9 | -40.5 | 176.4 | -69.5 | 166.9 | 0 | 0 | 0 | 111 | T301 F309 | T301-I305 HydrophobicContact CG2-CD1 4.01Å; T301-I305 WeakPolarHBondContact O-CB 3.49Å; T301-I305 WeakPolarHBondContact O-CD1 3.25Å; T301-I305 VanDerWaalsContact O-CG1 3.23Å; T301-I305 WeakPolarHBondContact O-CG1 3.29Å; T301-I305 PolarHBondContact O-N 3.33Å; I305-F309 WeakPolarHBondContact O-CB 3.43Å; I305-F309 PolarHBondContact O-N 3.3Å |
| 306 | K | 71.7 | Confident | 72.5 | Confident | 89 Ų | 89 | 85.8 Ų | 85.8 | 39% | 0.387 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -65.8 | -43.1 | 176.8 | -178.3 | -178.2 | 174.1 | -177.1 | 0 | 111.6 | C302 E303 E304 F309 I310 I453 | C302-K306 WeakPolarHBondContact O-CB 3.35Å; C302-K306 PolarHBondContact O-N 3.33Å; E303-K306 WeakPolarHBondContact O-CB 3.24Å; E303-K306 PolarHBondContact O-N 3.06Å; E304-K306 PolarHBondContact O-N 3.48Å; K306-F309 PolarHBondContact O-N 3.47Å; K306-I310 HydrophobicContact CG-CD1 4.12Å; K306-I310 WeakPolarHBondContact O-CG1 3.09Å; K306-I310 PolarHBondContact O-N 3.49Å; K306-I453 HydrophobicContact CD-CD1 3.97Å; K306-I453 HydrophobicContact CD-CG2 4.27Å; K306-I453 HydrophobicContact CG-CD1 4.27Å |
| 307 | G | 67.9 | Low | 71.5 | Confident | 27 Ų | 27 | 88.1 Ų | 88.1 | 28% | 0.278 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -59.6 | -46.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112 | E303 E304 F309 I310 N311 | E303-G307 PolarHBondContact O-N 2.95Å; E304-G307 WeakPolarHBondContact O-CA 3.19Å; E304-G307 PolarHBondContact O-N 3.33Å; G307-F309 PolarHBondContact O-N 2.94Å; G307-I310 PolarHBondContact O-N 2.93Å; G307-N311 WeakPolarHBondContact O-CB 3.1Å; G307-N311 VanDerWaalsContact O-CG 3.29Å; G307-N311 PolarHBondContact O-N 2.93Å; G307-N311 PolarHBondContact O-ND2 2.91Å |
| 308 | D | 70.2 | Confident | 70.3 | Confident | 77 Ų | 77 | 89.7 Ų | 89.7 | 41% | 0.412 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -61.6 | -43 | 176.2 | -77.9 | -12.2 | 0 | 0 | 0 | 112.4 | E304 N311 A312 | E304-D308 PolarHBondContact O-N 3.41Å; D308-N311 PolarHBondContact O-N 3Å; D308-A312 WeakPolarHBondContact O-CB 3.35Å; D308-A312 PolarHBondContact O-N 3.32Å |
| 309 | F | 72.8 | Confident | 69 | Low | 108 Ų | 108 | 92.8 Ų | 92.8 | 47% | 0.474 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -61.3 | -45.4 | 176.4 | -178.6 | -97.3 | 0 | 0 | 0 | 112 | I305 K306 G307 A312 M313 | I305-F309 WeakPolarHBondContact O-CB 3.43Å; I305-F309 PolarHBondContact O-N 3.3Å; K306-F309 PolarHBondContact O-N 3.47Å; G307-F309 PolarHBondContact O-N 2.94Å; F309-A312 PolarHBondContact O-N 3Å; F309-M313 HydrophobicContact CD1-CG 4.35Å; F309-M313 HydrophobicContact CE1-CG 3.92Å; F309-M313 HydrophobicContact CE2-CG 4.48Å; F309-M313 HydrophobicContact CZ-CG 4Å; F309-M313 HydrophobicContact CZ-SD 4.39Å; F309-M313 WeakPolarHBondContact O-CG 3.37Å; F309-M313 PolarHBondContact O-N 2.82Å |
| 310 | I | 72.2 | Confident | 67.3 | Low | 81 Ų | 81 | 95.1 Ų | 95.1 | 42% | 0.415 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -62.3 | -45.7 | 176.6 | -68.9 | 167.3 | 0 | 0 | 0 | 110.5 | K306 G307 A312 M313 L314 | K306-I310 HydrophobicContact CG-CD1 4.12Å; K306-I310 WeakPolarHBondContact O-CG1 3.09Å; K306-I310 PolarHBondContact O-N 3.49Å; G307-I310 PolarHBondContact O-N 2.93Å; I310-A312 VanDerWaalsContact C-N 3.34Å; I310-A312 PolarHBondContact O-N 3.06Å; I310-M313 PolarHBondContact O-N 2.89Å; I310-L314 HydrophobicContact CG2-CD1 4.01Å; I310-L314 HydrophobicContact CG2-CG 4.44Å; I310-L314 WeakPolarHBondContact O-CG 3.42Å; I310-L314 PolarHBondContact O-N 3.25Å |
| 311 | N | 66.2 | Low | 65.4 | Low | 86 Ų | 86 | 93.2 Ų | 93.2 | 46% | 0.46 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -61.5 | -40.4 | 177.8 | -74.8 | -30 | 0 | 0 | 0 | 112.2 | G307 D308 R315 | G307-N311 WeakPolarHBondContact O-CB 3.1Å; G307-N311 VanDerWaalsContact O-CG 3.29Å; G307-N311 PolarHBondContact O-N 2.93Å; G307-N311 PolarHBondContact O-ND2 2.91Å; D308-N311 PolarHBondContact O-N 3Å; N311-R315 WeakPolarHBondContact O-CG 3.26Å; N311-R315 PolarHBondContact O-N 3.44Å; N311-R315 VanDerWaalsContact O-N 3.12Å |
| 312 | A | 71 | Confident | 63.3 | Low | 44 Ų | 44 | 97.5 Ų | 97.5 | 36% | 0.364 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -65.5 | -41.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | D308 F309 I310 R315 K316 | D308-A312 WeakPolarHBondContact O-CB 3.35Å; D308-A312 PolarHBondContact O-N 3.32Å; F309-A312 PolarHBondContact O-N 3Å; I310-A312 VanDerWaalsContact C-N 3.34Å; I310-A312 PolarHBondContact O-N 3.06Å; A312-R315 PolarHBondContact O-N 3.31Å; A312-K316 PolarHBondContact O-N 2.92Å; A312-K316 VanDerWaalsContact O-N 3.13Å |
| 313 | M | 69.8 | Low | 61.1 | Low | 94 Ų | 94 | 103.7 Ų | 103.7 | 46% | 0.463 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -63.5 | -45.5 | 175.4 | -76.3 | -69.5 | -77.8 | 0 | 0 | 111.9 | F309 I310 R315 K316 T317 | F309-M313 HydrophobicContact CD1-CG 4.35Å; F309-M313 HydrophobicContact CE1-CG 3.92Å; F309-M313 HydrophobicContact CE2-CG 4.48Å; F309-M313 HydrophobicContact CZ-CG 4Å; F309-M313 HydrophobicContact CZ-SD 4.39Å; F309-M313 WeakPolarHBondContact O-CG 3.37Å; F309-M313 PolarHBondContact O-N 2.82Å; I310-M313 PolarHBondContact O-N 2.89Å; M313-R315 VanDerWaalsContact C-N 3.29Å; M313-R315 PolarHBondContact O-N 2.94Å; M313-K316 PolarHBondContact O-N 2.87Å; M313-K316 VanDerWaalsContact O-N 3.12Å; M313-T317 PolarHBondContact O-N 3.44Å; M313-T317 PolarHBondContact O-OG1 3.23Å |
| 314 | L | 67.8 | Low | 58.9 | Low | 96 Ų | 96 | 104.5 Ų | 104.5 | 50% | 0.503 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -59.3 | -38.9 | 176.5 | -72.5 | 170.3 | 0 | 0 | 0 | 112.3 | I310 T317 N318 | I310-L314 HydrophobicContact CG2-CD1 4.01Å; I310-L314 HydrophobicContact CG2-CG 4.44Å; I310-L314 WeakPolarHBondContact O-CG 3.42Å; I310-L314 PolarHBondContact O-N 3.25Å; L314-T317 PolarHBondContact O-N 3.42Å; L314-N318 WeakPolarHBondContact O-CB 3.22Å; L314-N318 PolarHBondContact O-N 3.43Å |
| 315 | R | 69.6 | Low | 56.8 | Low | 182 Ų | 182 | 107 Ų | 107 | 69% | 0.687 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -64.5 | -39.6 | 174.7 | -72.4 | 175.2 | -175.7 | -179.7 | 3.3 | 112.5 | N311 A312 M313 N319 | N311-R315 WeakPolarHBondContact O-CG 3.26Å; N311-R315 PolarHBondContact O-N 3.44Å; N311-R315 VanDerWaalsContact O-N 3.12Å; A312-R315 PolarHBondContact O-N 3.31Å; M313-R315 VanDerWaalsContact C-N 3.29Å; M313-R315 PolarHBondContact O-N 2.94Å; R315-N319 PolarHBondContact O-N 3.11Å; R315-N319 VanDerWaalsContact O-N 3.15Å |
| 316 | K | 64.4 | Low | 54.6 | Low | 148 Ų | 148 | 112.5 Ų | 112.5 | 64% | 0.643 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -63.9 | -43.4 | 174.5 | -78.7 | -173.9 | 175.3 | -177.5 | 0 | 111.7 | A312 M313 N319 N320 | A312-K316 PolarHBondContact O-N 2.92Å; A312-K316 VanDerWaalsContact O-N 3.13Å; M313-K316 PolarHBondContact O-N 2.87Å; M313-K316 VanDerWaalsContact O-N 3.12Å; K316-N319 PolarHBondContact O-N 2.79Å; K316-N320 PolarHBondContact O-N 3.48Å |
| 317 | T | 61 | Low | 52.3 | Low | 92 Ų | 92 | 117.4 Ų | 117.4 | 56% | 0.564 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -66.6 | -41.6 | 179.7 | -45.7 | 0 | 0 | 0 | 0 | 112.2 | M313 L314 N319 N320 | M313-T317 PolarHBondContact O-N 3.44Å; M313-T317 PolarHBondContact O-OG1 3.23Å; L314-T317 PolarHBondContact O-N 3.42Å; T317-N319 VanDerWaalsContact C-N 3.32Å; T317-N319 PolarHBondContact O-N 2.85Å; T317-N320 PolarHBondContact O-N 3.01Å |
| 318 | N | 52.2 | Low | 50.4 | Low | 118 Ų | 118 | 125.2 Ų | 125.2 | 63% | 0.631 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -66.8 | -31.5 | 177.4 | -75.6 | -11.9 | 0 | 0 | 0 | 112.8 | L314 N320 G321 | L314-N318 WeakPolarHBondContact O-CB 3.22Å; L314-N318 PolarHBondContact O-N 3.43Å; N318-N320 VanDerWaalsContact C-N 3.29Å; N318-N320 PolarHBondContact O-N 2.91Å; N318-G321 PolarHBondContact O-N 3.09Å |
| 319 | N | 49.7 | Very low | 48.2 | Very low | 132 Ų | 132 | 127.8 Ų | 127.8 | 71% | 0.706 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -71.1 | -22.2 | 175.4 | -77.7 | -4.5 | 0 | 0 | 0 | 113.4 | R315 K316 T317 G321 | R315-N319 PolarHBondContact O-N 3.11Å; R315-N319 VanDerWaalsContact O-N 3.15Å; K316-N319 PolarHBondContact O-N 2.79Å; T317-N319 VanDerWaalsContact C-N 3.32Å; T317-N319 PolarHBondContact O-N 2.85Å; N319-G321 PolarHBondContact O-N 3.14Å |
| 320 | N | 44.3 | Very low | 46.3 | Very low | 149 Ų | 149 | 132 Ų | 132 | 80% | 0.797 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.6 | -2.8 | 174.4 | -76 | -5.2 | 0 | 0 | 0 | 113.5 | K316 T317 N318 | K316-N320 PolarHBondContact O-N 3.48Å; T317-N320 PolarHBondContact O-N 3.01Å; N318-N320 VanDerWaalsContact C-N 3.29Å; N318-N320 PolarHBondContact O-N 2.91Å |
| 321 | G | 35.8 | Very low | 44.2 | Very low | 57 Ų | 57 | 132 Ų | 132 | 59% | 0.588 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.8 | -10.8 | -175.6 | 0 | 0 | 0 | 0 | 0 | 116.5 | N318 N319 | N318-G321 PolarHBondContact O-N 3.09Å; N319-G321 PolarHBondContact O-N 3.14Å |
| 322 | N | 30.4 | Very low | 42.6 | Very low | 144 Ų | 144 | 134 Ų | 134 | 77% | 0.77 | 69% | 0.689 | S | S | * | * | trans | -121.4 | 85.8 | -176.5 | -78.2 | -16 | 0 | 0 | 0 | 111.3 | D324 | N322-D324 VanDerWaalsContact C-N 3.33Å; N322-D324 PolarHBondContact O-N 3.14Å | ||
| 323 | N | 28 | Very low | 40.9 | Very low | 162 Ų | 162 | 143.8 Ų | 143.8 | 87% | 0.866 | 72% | 0.716 | S | S | * | * | trans | -78.4 | 85.6 | 157.5 | -84 | -25.4 | 0 | 0 | 0 | 108.1 | ||||
| 324 | D | 28.1 | Very low | 39.9 | Very low | 151 Ų | 151 | 145.7 Ų | 145.7 | 81% | 0.807 | 72% | 0.722 | S | S | * | * | trans | -140.6 | 124.9 | 157.4 | -96.7 | -32.8 | 0 | 0 | 0 | 110.4 | N322 Q326 | N322-D324 VanDerWaalsContact C-N 3.33Å; N322-D324 PolarHBondContact O-N 3.14Å; D324-Q326 PolarHBondContact O-N 2.95Å | ||
| 325 | N | 25.7 | Very low | 39.6 | Very low | 168 Ų | 168 | 144.1 Ų | 144.1 | 90% | 0.898 | 72% | 0.719 | S | S | * | * | trans | -57.2 | 100.6 | -176.5 | -67.6 | -54 | 0 | 0 | 0 | 111.3 | ||||
| 326 | Q | 27.7 | Very low | 39.5 | Very low | 158 Ų | 158 | 136.4 Ų | 136.4 | 74% | 0.738 | 69% | 0.691 | S | S | * | * | trans | -125.5 | 117.3 | 154.6 | -76.5 | -171.9 | -12 | 0 | 0 | 109.4 | D324 Y328 | D324-Q326 PolarHBondContact O-N 2.95Å; Q326-Y328 WeakPolarHBondContact O-CD2 3.11Å; Q326-Y328 PolarHBondContact O-N 3.17Å | ||
| 327 | K | 24.1 | Very low | 39.6 | Very low | 191 Ų | 191 | 133.6 Ų | 133.6 | 83% | 0.83 | 68% | 0.683 | S | S | * | * | trans | -45.2 | 109 | 165.4 | -71.6 | 174.1 | 169.5 | -176.1 | 0 | 109.2 | D329 | K327-D329 PolarHBondContact O-N 3.47Å; K327-D329 VanDerWaalsContact O-N 3.15Å | ||
| 328 | Y | 26.9 | Very low | 40 | Very low | 192 Ų | 192 | 134.5 Ų | 134.5 | 75% | 0.753 | 69% | 0.685 | S | S | * | * | trans | -83.9 | 70.7 | 161.5 | -74.7 | -83.5 | 0 | 0 | 0 | 108.1 | Q326 C331 | Q326-Y328 WeakPolarHBondContact O-CD2 3.11Å; Q326-Y328 PolarHBondContact O-N 3.17Å; Y328-C331 HydrophobicContact CD1-CB 3.76Å; Y328-C331 HydrophobicContact CE1-CB 4.47Å | ||
| 329 | D | 25.7 | Very low | 41 | Very low | 130 Ų | 130 | 131.8 Ų | 131.8 | 70% | 0.695 | 67% | 0.667 | S | S | * | * | S | Bend | trans | -74.4 | 127.3 | 153.7 | -79.5 | -42.3 | 0 | 0 | 0 | 106.8 | K327 C331 | K327-D329 PolarHBondContact O-N 3.47Å; K327-D329 VanDerWaalsContact O-N 3.15Å; D329-C331 PolarHBondContact O-N 2.64Å |
| 330 | E | 32.7 | Very low | 42.2 | Very low | 197 Ų | 197 | 125.7 Ų | 125.7 | 92% | 0.921 | 64% | 0.635 | S | S | * | * | S | Bend | trans | 58.5 | 39 | 166.2 | -62.3 | -171.9 | 153.1 | 0 | 0 | 118.9 | D332 | E330-D332 PolarHBondContact O-N 3.46Š|
| 331 | C | 26.9 | Very low | 43.7 | Very low | 82 Ų | 82 | 125.8 Ų | 125.8 | 55% | 0.554 | 62% | 0.624 | S | S | * | * | trans | -84.8 | 96.4 | 171.8 | -154.1 | 0 | 0 | 0 | 0 | 111.8 | Y328 D329 | Y328-C331 HydrophobicContact CD1-CB 3.76Å; Y328-C331 HydrophobicContact CE1-CB 4.47Å; D329-C331 PolarHBondContact O-N 2.64Å | ||
| 332 | D | 33.3 | Very low | 45.7 | Very low | 128 Ų | 128 | 125.2 Ų | 125.2 | 68% | 0.684 | 61% | 0.611 | S | S | * | * | trans | 54.4 | 109.9 | 155.6 | -67.1 | -34.3 | 0 | 0 | 0 | 117.4 | E330 K334 | E330-D332 PolarHBondContact O-N 3.46Å; D332-K334 PolarHBondContact O-N 2.77Å | ||
| 333 | R | 35.6 | Very low | 47.4 | Very low | 248 Ų | 248 | 121.6 Ų | 121.6 | 94% | 0.936 | 59% | 0.592 | S | S | * | * | trans | -54.2 | 85.6 | 143.9 | -79.6 | -177.1 | -178.1 | 177 | -1.7 | 107.4 | S335 | R333-S335 PolarHBondContact O-N 3.38Š| ||
| 334 | K | 47.3 | Very low | 48.9 | Very low | 134 Ų | 134 | 115 Ų | 115 | 58% | 0.583 | 56% | 0.561 | S | S | * | * | trans | -52.4 | 117.8 | 173.6 | -73.3 | 178.8 | -178.3 | 173.8 | 0 | 106.5 | D332 I336 F339 | D332-K334 PolarHBondContact O-N 2.77Å; K334-I336 PolarHBondContact O-N 3.4Å; K334-F339 HydrophobicContact CB-CE2 3.71Å; K334-F339 HydrophobicContact CB-CZ 4.4Å; K334-F339 HydrophobicContact CD-CE2 4.08Å; K334-F339 HydrophobicContact CD-CZ 3.9Å | ||
| 335 | S | 61.9 | Low | 50.9 | Low | 63 Ų | 63 | 116.1 Ų | 116.1 | 44% | 0.441 | 57% | 0.567 | S | S | . | * | trans | -49.3 | 131.8 | -179.2 | 177.9 | 0 | 0 | 0 | 0 | 109.4 | R333 N337 N338 | R333-S335 PolarHBondContact O-N 3.38Å; S335-N337 PolarHBondContact O-N 2.7Å; S335-N338 WeakPolarHBondContact O-CB 3.3Å; S335-N338 PolarHBondContact O-N 2.88Å | ||
| 336 | I | 68.5 | Low | 53.1 | Low | 20 Ų | 20 | 109.5 Ų | 109.5 | 10% | 0.103 | 54% | 0.539 | C | S | . | . | G | 310 helix | trans | -49.3 | -26.7 | 179 | -173.1 | 162.3 | 0 | 0 | 0 | 113.4 | K334 N338 F339 A340 Y348 N381 I383 | K334-I336 PolarHBondContact O-N 3.4Å; I336-N338 PolarHBondContact O-N 2.82Å; I336-F339 CarbonylContact O-C 3.59Å; I336-F339 PolarHBondContact O-N 3.05Å; I336-A340 HydrophobicContact CD1-CB 4.35Å; I336-A340 HydrophobicContact CG1-CB 3.94Å; I336-A340 PolarHBondContact O-N 3.25Å; I336-Y348 HydrophobicContact CD1-CD1 4.08Å; I336-Y348 HydrophobicContact CD1-CE1 3.84Å; I336-Y348 HydrophobicContact CG1-CE1 4.49Å; I336-N381 HydrophobicContact CD1-CB 4.03Å; I336-I383 HydrophobicContact CD1-CD1 2.92Å; I336-I383 HydrophobicContact CD1-CG1 4.39Å; I336-I383 HydrophobicContact CG1-CD1 4.41Å |
| 337 | N | 65.8 | Low | 55.5 | Low | 90 Ų | 90 | 104.8 Ų | 104.8 | 48% | 0.481 | 52% | 0.518 | S | S | . | . | G | 310 helix | trans | -55.5 | -18.7 | 175.9 | -65.6 | -18.6 | 0 | 0 | 0 | 114.3 | S335 A340 | S335-N337 PolarHBondContact O-N 2.7Å; N337-A340 WeakPolarHBondContact CA-O 3.3Å |
| 338 | N | 69.4 | Low | 58.1 | Low | 111 Ų | 111 | 97.7 Ų | 97.7 | 59% | 0.594 | 49% | 0.486 | S | S | * | . | G | 310 helix | trans | -78.9 | -20.9 | 174.8 | -70 | -12.9 | 0 | 0 | 0 | 113.5 | S335 I336 | S335-N338 WeakPolarHBondContact O-CB 3.3Å; S335-N338 PolarHBondContact O-N 2.88Å; I336-N338 PolarHBondContact O-N 2.82Å |
| 339 | F | 74.4 | Confident | 60.5 | Low | 60 Ų | 60 | 89.9 Ų | 89.9 | 26% | 0.263 | 46% | 0.458 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -126.8 | -11.6 | -170.3 | -57.1 | -73.5 | 0 | 0 | 0 | 113.4 | K334 I336 S351 V377 | K334-F339 HydrophobicContact CB-CE2 3.71Å; K334-F339 HydrophobicContact CB-CZ 4.4Å; K334-F339 HydrophobicContact CD-CE2 4.08Å; K334-F339 HydrophobicContact CD-CZ 3.9Å; I336-F339 CarbonylContact O-C 3.59Å; I336-F339 PolarHBondContact O-N 3.05Å; F339-S351 WeakPolarHBondContact CA-OG 3.33Å; F339-S351 VanDerWaalsContact O-CB 3.32Å; F339-S351 WeakPolarHBondContact O-CB 3.43Å; F339-S351 PolarHBondContact O-N 3.44Å; F339-S351 PolarHBondContact O-OG 2.83Å; F339-V377 HydrophobicContact CB-CG1 3.69Å; F339-V377 HydrophobicContact CD2-CG1 3.99Å; F339-V377 HydrophobicContact CD2-CG2 4.44Å; F339-V377 HydrophobicContact CG-CG1 4Å; F339-V377 HydrophobicContact CG-CG2 4.28Å |
| 340 | A | 74.3 | Confident | 62.9 | Low | 4 Ų | 4 | 84 Ų | 84 | 3% | 0.033 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.8 | 142.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | I336 N337 Y348 V349 F378 | I336-A340 HydrophobicContact CD1-CB 4.35Å; I336-A340 HydrophobicContact CG1-CB 3.94Å; I336-A340 PolarHBondContact O-N 3.25Å; N337-A340 WeakPolarHBondContact CA-O 3.3Å; A340-Y348 HydrophobicContact CB-CD1 4.13Å; A340-V349 CarbonylContact C-O 3.59Å; A340-V349 WeakPolarHBondContact CA-O 3.2Å; A340-V349 WeakPolarHBondContact CB-O 3.26Å; A340-F378 HydrophobicContact CB-CE1 4.03Å; A340-F378 HydrophobicContact CB-CE2 4.26Å; A340-F378 HydrophobicContact CB-CZ 3.46Å; A340-F378 VanDerWaalsContact CB-CZ 3.46Å |
| 341 | R | 76.1 | Confident | 64.9 | Low | 152 Ų | 152 | 76.5 Ų | 76.5 | 57% | 0.574 | 40% | 0.396 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 117.8 | 169.9 | -178.2 | 179.9 | 177.9 | 175.9 | 2.5 | 108.5 | E129 L343 Y348 V349 | E129-R341 IonicContact OE2-NH2 2.69Å; E129-R341 PolarHBondContact OE2-NH2 3.15Å; R341-L343 PolarHBondContact O-N 2.92Å; R341-Y348 CarbonylContact O-C 3.52Å; R341-Y348 WeakPolarHBondContact O-CA 3.2Å; R341-V349 PolarHBondContact N-O 3.1Å; R341-V349 PolarHBondContact O-N 3.28Å |
| 342 | S | 76.9 | Confident | 67.1 | Low | 45 Ų | 45 | 74.7 Ų | 74.7 | 32% | 0.315 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 129.6 | 170.1 | -175.9 | 0 | 0 | 0 | 0 | 110.7 | G344 M347 | S342-G344 VanDerWaalsContact C-N 3.34Å; S342-G344 PolarHBondContact OG-N 3.18Å; S342-M347 CarbonylContact C-O 3.42Å; S342-M347 WeakPolarHBondContact CA-O 3.46Å; S342-M347 PolarHBondContact OG-O 2.86Å |
| 343 | L | 65.4 | Low | 68.9 | Low | 68 Ų | 68 | 69 Ų | 69 | 36% | 0.356 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | -10.3 | 173.5 | -68.3 | 173 | 0 | 0 | 0 | 112.7 | R133 R341 M347 V349 V389 | R133-L343 VanDerWaalsContact NH1-C 3.26Å; R133-L343 PolarHBondContact NH1-O 2.93Å; R341-L343 PolarHBondContact O-N 2.92Å; L343-M347 HydrophobicContact CB-CB 4.29Å; L343-M347 PolarHBondContact N-O 3.14Å; L343-V349 HydrophobicContact CD1-CG2 3.63Å; L343-V349 HydrophobicContact CD2-CG2 3.93Å; L343-V349 HydrophobicContact CG-CG2 3.82Å; L343-V389 HydrophobicContact CD1-CB 3.82Å; L343-V389 HydrophobicContact CD1-CG1 4.13Å; L343-V389 HydrophobicContact CD1-CG2 3.46Å; L343-V389 VanDerWaalsContact CD1-CG2 3.46Å |
| 344 | G | 61.4 | Low | 70.7 | Confident | 22 Ų | 22 | 60.8 Ų | 60.8 | 23% | 0.227 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 95 | 168.5 | -165.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | S342 G346 M347 | S342-G344 VanDerWaalsContact C-N 3.34Å; S342-G344 PolarHBondContact OG-N 3.18Å; G344-G346 PolarHBondContact O-N 3.1Å; G344-G346 VanDerWaalsContact O-N 3.12Å; G344-M347 PolarHBondContact O-N 2.99Å |
| 345 | N | 69.5 | Low | 71.8 | Confident | 175 Ų | 175 | 54.5 Ų | 54.5 | 94% | 0.936 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.4 | 27.1 | -179.2 | -58 | -12 | 0 | 0 | 0 | 114.8 | M347 | N345-M347 VanDerWaalsContact C-N 3.28Å; N345-M347 PolarHBondContact O-N 2.83Å |
| 346 | G | 71.4 | Confident | 72.2 | Confident | 29 Ų | 29 | 56.9 Ų | 56.9 | 30% | 0.299 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 73.6 | 14.5 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | G344 Y348 Q387 | G344-G346 PolarHBondContact O-N 3.1Å; G344-G346 VanDerWaalsContact O-N 3.12Å; G346-Y348 WeakPolarHBondContact O-CD2 3.43Å; G346-Y348 WeakPolarHBondContact O-CE2 3.47Å; G346-Q387 VanDerWaalsContact O-CB 3.29Å; G346-Q387 WeakPolarHBondContact O-CB 3.36Å; G346-Q387 WeakPolarHBondContact O-CG 3.4Å; G346-Q387 PolarHBondContact O-NE2 2.88Å |
| 347 | M | 78.2 | Confident | 72.1 | Confident | 60 Ų | 60 | 56.1 Ų | 56.1 | 30% | 0.296 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 152.3 | 175.3 | -63.5 | -153.7 | 91.5 | 0 | 0 | 113.3 | S342 L343 G344 N345 Q387 V389 | S342-M347 CarbonylContact C-O 3.42Å; S342-M347 WeakPolarHBondContact CA-O 3.46Å; S342-M347 PolarHBondContact OG-O 2.86Å; L343-M347 HydrophobicContact CB-CB 4.29Å; L343-M347 PolarHBondContact N-O 3.14Å; G344-M347 PolarHBondContact O-N 2.99Å; N345-M347 VanDerWaalsContact C-N 3.28Å; N345-M347 PolarHBondContact O-N 2.83Å; M347-Q387 CarbonylContact C-O 3.6Å; M347-Q387 VanDerWaalsContact CA-O 3.23Å; M347-Q387 WeakPolarHBondContact CA-O 3.46Å; M347-V389 HydrophobicContact CB-CG2 4.02Å; M347-V389 HydrophobicContact CE-CG2 3.35Å; M347-V389 HydrophobicContact CG-CG2 4.46Å; M347-V389 HydrophobicContact SD-CG2 3.67Å |
| 348 | Y | 78.8 | Confident | 72.2 | Confident | 42 Ų | 42 | 59.9 Ų | 59.9 | 17% | 0.165 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 144.3 | -172.6 | -63.5 | -93.1 | 0 | 0 | 0 | 113 | I336 A340 R341 G346 F378 I383 Q387 I388 V389 | I336-Y348 HydrophobicContact CD1-CD1 4.08Å; I336-Y348 HydrophobicContact CD1-CE1 3.84Å; I336-Y348 HydrophobicContact CG1-CE1 4.49Å; A340-Y348 HydrophobicContact CB-CD1 4.13Å; R341-Y348 CarbonylContact O-C 3.52Å; R341-Y348 WeakPolarHBondContact O-CA 3.2Å; G346-Y348 WeakPolarHBondContact O-CD2 3.43Å; G346-Y348 WeakPolarHBondContact O-CE2 3.47Å; Y348-F378 HydrophobicContact CG-CE1 4.27Å; Y348-I383 HydrophobicContact CD1-CD1 4.32Å; Y348-I383 HydrophobicContact CD2-CD1 4.01Å; Y348-I383 HydrophobicContact CD2-CG1 4.41Å; Y348-I383 HydrophobicContact CD2-CG2 3.86Å; Y348-I383 HydrophobicContact CE1-CD1 3.91Å; Y348-I383 HydrophobicContact CE2-CD1 3.6Å; Y348-I383 HydrophobicContact CE2-CG1 3.89Å; Y348-I383 HydrophobicContact CE2-CG2 4.08Å; Y348-I383 HydrophobicContact CG-CD1 4.37Å; Y348-Q387 HydrophobicContact CD2-CB 4.38Å; Y348-Q387 PolarHBondContact N-O 2.86Å; Y348-I388 CarbonylContact O-C 3.46Å; Y348-I388 WeakPolarHBondContact O-CA 3.27Å; Y348-V389 PolarHBondContact O-N 3.11Å |
| 349 | V | 77.4 | Confident | 72.4 | Confident | 27 Ų | 27 | 60.6 Ų | 60.6 | 16% | 0.164 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 129.7 | 165.5 | 173.4 | 0 | 0 | 0 | 0 | 107.7 | A340 R341 L343 V389 Q390 | A340-V349 CarbonylContact C-O 3.59Å; A340-V349 WeakPolarHBondContact CA-O 3.2Å; A340-V349 WeakPolarHBondContact CB-O 3.26Å; R341-V349 PolarHBondContact N-O 3.1Å; R341-V349 PolarHBondContact O-N 3.28Å; L343-V349 HydrophobicContact CD1-CG2 3.63Å; L343-V349 HydrophobicContact CD2-CG2 3.93Å; L343-V349 HydrophobicContact CG-CG2 3.82Å; V349-V389 HydrophobicContact CG2-CB 4.41Å; V349-Q390 HydrophobicContact CG1-CB 4.28Å |
| 350 | T | 76.9 | Confident | 72.3 | Confident | 7 Ų | 7 | 60.5 Ų | 60.5 | 4% | 0.043 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 152.7 | 179.9 | 72.8 | 0 | 0 | 0 | 0 | 112 | M374 F378 I388 Q390 F391 I392 | T350-M374 HydrophobicContact CG2-CG 4.17Å; T350-M374 HydrophobicContact CG2-SD 3.83Å; T350-F378 HydrophobicContact CG2-CE2 3.76Å; T350-F378 HydrophobicContact CG2-CZ 3.65Å; T350-I388 HydrophobicContact CG2-CG2 3.73Å; T350-Q390 WeakPolarHBondContact CG2-O 3.46Å; T350-Q390 PolarHBondContact N-O 3.08Å; T350-Q390 VanDerWaalsContact N-O 3.15Å; T350-Q390 PolarHBondContact OG1-O 3.18Å; T350-F391 HydrophobicContact CG2-CD2 4.46Å; T350-I392 PolarHBondContact OG1-N 3Å |
| 351 | S | 74.2 | Confident | 72.5 | Confident | 40 Ų | 40 | 67.2 Ų | 67.2 | 28% | 0.28 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 179 | 156.2 | 63.6 | 0 | 0 | 0 | 0 | 110.6 | F339 Y353 | F339-S351 WeakPolarHBondContact CA-OG 3.33Å; F339-S351 VanDerWaalsContact O-CB 3.32Å; F339-S351 WeakPolarHBondContact O-CB 3.43Å; F339-S351 PolarHBondContact O-N 3.44Å; F339-S351 PolarHBondContact O-OG 2.83Å; S351-Y353 WeakPolarHBondContact O-CD2 3.37Å |
| 352 | N | 72.3 | Confident | 72.7 | Confident | 43 Ų | 43 | 62.7 Ų | 62.7 | 23% | 0.23 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 131 | 173 | -60.8 | -34 | 0 | 0 | 0 | 110.4 | Y354 I392 V394 | N352-Y354 HydrophobicContact CB-CE1 4.42Å; N352-Y354 HydrophobicContact CB-CE2 3.92Å; N352-I392 WeakPolarHBondContact OD1-CG2 3.41Å; N352-V394 HydrophobicContact CB-CG2 4.3Å |
| 353 | Y | 72.5 | Confident | 73.1 | Confident | 9 Ų | 9 | 60.5 Ų | 60.5 | 4% | 0.035 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 142.5 | 167.5 | -68.9 | -87.8 | 0 | 0 | 0 | 109.5 | S351 Q373 M374 V377 I392 V393 V394 | S351-Y353 WeakPolarHBondContact O-CD2 3.37Å; Y353-Q373 HydrophobicContact CD1-CB 3.68Å; Y353-Q373 HydrophobicContact CE1-CB 4.1Å; Y353-M374 HydrophobicContact CD1-CB 4.09Å; Y353-M374 HydrophobicContact CD2-CB 3.76Å; Y353-M374 HydrophobicContact CD2-CG 4.15Å; Y353-M374 VanDerWaalsContact CE1-CA 3.46Å; Y353-M374 HydrophobicContact CE1-CB 4Å; Y353-M374 HydrophobicContact CE2-CB 3.66Å; Y353-M374 HydrophobicContact CE2-CG 3.73Å; Y353-M374 HydrophobicContact CG-CB 3.96Å; Y353-M374 VanDerWaalsContact CZ-CA 3.49Å; Y353-V377 HydrophobicContact CE1-CG2 4.45Å; Y353-I392 PolarHBondContact N-O 3.37Å; Y353-V393 WeakPolarHBondContact O-CA 3.38Å; Y353-V394 PolarHBondContact O-N 3.17Å |
| 354 | Y | 72.6 | Confident | 74 | Confident | 75 Ų | 75 | 60.6 Ų | 60.6 | 29% | 0.294 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 129.4 | -166.8 | -59 | -90.6 | 0 | 0 | 0 | 110.2 | N352 Q373 V394 | N352-Y354 HydrophobicContact CB-CE1 4.42Å; N352-Y354 HydrophobicContact CB-CE2 3.92Å; Y354-Q373 PolarHBondContact O-NE2 3.46Å; Y354-Q373 VanDerWaalsContact O-NE2 3.07Å; Y354-V394 HydrophobicContact CD1-CB 3.71Å; Y354-V394 HydrophobicContact CD1-CG1 4.2Å; Y354-V394 HydrophobicContact CD1-CG2 4.12Å; Y354-V394 HydrophobicContact CE1-CB 3.92Å; Y354-V394 HydrophobicContact CE1-CG1 4.27Å; Y354-V394 HydrophobicContact CE1-CG2 3.86Å |
| 355 | G | 71.1 | Confident | 75.1 | Confident | 2 Ų | 2 | 66 Ų | 66 | 2% | 0.021 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 133 | 169.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | A366 V394 | G355-A366 WeakPolarHBondContact CA-O 3.16Å; G355-V394 PolarHBondContact N-O 3.32Å |
| 356 | T | 69.8 | Low | 75.7 | Confident | 114 Ų | 114 | 57.8 Ų | 57.8 | 70% | 0.699 | 30% | 0.296 | S | S | * | . | trans | -111.2 | 127.2 | 177.7 | 53.8 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 357 | G | 66.5 | Low | 76.4 | Confident | 4 Ų | 4 | 56.4 Ų | 56.4 | 4% | 0.041 | 28% | 0.282 | C | S | . | . | trans | -143.3 | 131.8 | 169.8 | 0 | 0 | 0 | 0 | 0 | 109.2 | E362 S396 Q397 | G357-E362 WeakPolarHBondContact CA-OE2 3.36Å; G357-S396 PolarHBondContact N-OG 3.44Å; G357-S396 PolarHBondContact O-OG 3.29Å; G357-Q397 PolarHBondContact O-NE2 3.34Å | ||
| 358 | E | 66.2 | Low | 76.7 | Confident | 168 Ų | 168 | 55.9 Ų | 55.9 | 79% | 0.785 | 28% | 0.279 | S | S | * | . | S | Bend | trans | -76.9 | -29.7 | 175.8 | -65 | -168.3 | 168 | 0 | 0 | 111.9 | E362 Q397 | E358-E362 WeakPolarHBondContact CA-OE2 3.44Å; E358-E362 PolarHBondContact N-OE2 3.3Å; E358-Q397 PolarHBondContact O-NE2 3.46Å |
| 359 | K | 74.4 | Confident | 76.9 | Confident | 127 Ų | 127 | 57.8 Ų | 57.8 | 55% | 0.552 | 29% | 0.292 | S | S | * | . | S | Bend | trans | -116.8 | 158.9 | -178.8 | -62 | 174.9 | -171.1 | 162.8 | 0 | 112.1 | D361 E362 | K359-D361 PolarHBondContact O-N 2.76Å; K359-E362 HydrophobicContact CB-CG 4.17Å; K359-E362 PolarHBondContact N-OE2 2.88Å; K359-E362 WeakPolarHBondContact O-CB 3.49Å; K359-E362 PolarHBondContact O-N 2.85Å; K359-E362 VanDerWaalsContact O-N 3.11Å |
| 360 | V | 72.9 | Confident | 77.1 | Confident | 58 Ų | 58 | 56.5 Ų | 56.5 | 35% | 0.352 | 28% | 0.284 | S | S | . | . | G | 310 helix | trans | -59.6 | -36.7 | 174.7 | 179 | 0 | 0 | 0 | 0 | 111 | E362 I363 D402 V403 | V360-E362 PolarHBondContact O-N 2.92Å; V360-I363 VanDerWaalsContact O-CB 3.29Å; V360-I363 WeakPolarHBondContact O-CB 3.44Å; V360-I363 WeakPolarHBondContact O-CG1 3.4Å; V360-I363 PolarHBondContact O-N 3.21Å; V360-I363 VanDerWaalsContact O-N 3.14Å; V360-D402 HydrophobicContact CG1-CB 4.09Å; V360-V403 HydrophobicContact CG1-CG2 4.18Å; V360-V403 HydrophobicContact CG2-CG2 4.2Å |
| 361 | D | 78.9 | Confident | 77.5 | Confident | 144 Ų | 144 | 56.2 Ų | 56.2 | 77% | 0.77 | 28% | 0.282 | S | S | * | . | G | 310 helix | trans | -68 | -18.4 | 179.4 | -54.5 | -24.3 | 0 | 0 | 0 | 113 | K359 | K359-D361 PolarHBondContact O-N 2.76Š|
| 362 | E | 80.5 | Confident | 78 | Confident | 57 Ų | 57 | 56.4 Ų | 56.4 | 27% | 0.266 | 28% | 0.284 | S | S | . | . | G | 310 helix | trans | -88.6 | -7.7 | 178 | -64 | 165.5 | -157.7 | 0 | 0 | 112.2 | G357 E358 K359 V360 Y364 E365 A366 | G357-E362 WeakPolarHBondContact CA-OE2 3.36Å; E358-E362 WeakPolarHBondContact CA-OE2 3.44Å; E358-E362 PolarHBondContact N-OE2 3.3Å; K359-E362 HydrophobicContact CB-CG 4.17Å; K359-E362 PolarHBondContact N-OE2 2.88Å; K359-E362 WeakPolarHBondContact O-CB 3.49Å; K359-E362 PolarHBondContact O-N 2.85Å; K359-E362 VanDerWaalsContact O-N 3.11Å; V360-E362 PolarHBondContact O-N 2.92Å; E362-Y364 PolarHBondContact O-N 3.26Å; E362-E365 PolarHBondContact O-N 3.09Å; E362-A366 WeakPolarHBondContact O-CB 3.14Å; E362-A366 PolarHBondContact O-N 3.34Å |
| 363 | I | 83.7 | Confident | 78.5 | Confident | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -61.8 | -34.4 | -178.5 | -70.1 | -59.6 | 0 | 0 | 0 | 112.2 | V360 T367 L395 Q397 V403 F407 | V360-I363 VanDerWaalsContact O-CB 3.29Å; V360-I363 WeakPolarHBondContact O-CB 3.44Å; V360-I363 WeakPolarHBondContact O-CG1 3.4Å; V360-I363 PolarHBondContact O-N 3.21Å; V360-I363 VanDerWaalsContact O-N 3.14Å; I363-T367 WeakPolarHBondContact O-CB 3.12Å; I363-T367 PolarHBondContact O-N 3.4Å; I363-T367 PolarHBondContact O-OG1 3.45Å; I363-L395 HydrophobicContact CD1-CB 4.29Å; I363-L395 HydrophobicContact CD1-CD1 4.01Å; I363-L395 HydrophobicContact CD1-CD2 4.38Å; I363-L395 HydrophobicContact CD1-CG 4.47Å; I363-L395 HydrophobicContact CG2-CD1 3.78Å; I363-Q397 HydrophobicContact CD1-CB 3.93Å; I363-Q397 HydrophobicContact CD1-CG 3.38Å; I363-Q397 HydrophobicContact CG1-CG 4.14Å; I363-V403 HydrophobicContact CD1-CG1 4.3Å; I363-V403 HydrophobicContact CG1-CG1 4.24Å; I363-V403 HydrophobicContact CG1-CG2 4.3Å; I363-V403 HydrophobicContact CG2-CG1 4.35Å; I363-F407 HydrophobicContact CG2-CB 4.21Å |
| 364 | Y | 85.8 | Confident | 79.1 | Confident | 69 Ų | 69 | 57.6 Ų | 57.6 | 27% | 0.271 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -61.8 | -54.6 | 177.8 | -168.7 | -81.1 | 0 | 0 | 0 | 110 | E362 A366 T367 E368 S406 E409 A410 | E362-Y364 PolarHBondContact O-N 3.26Å; Y364-A366 PolarHBondContact O-N 3.41Å; Y364-T367 WeakPolarHBondContact O-CB 3.43Å; Y364-T367 PolarHBondContact O-N 2.75Å; Y364-E368 HydrophobicContact CD1-CG 4.11Å; Y364-E368 HydrophobicContact CE1-CG 3.9Å; Y364-E368 WeakPolarHBondContact CE1-OE1 3.25Å; Y364-E368 WeakPolarHBondContact O-CG 3.47Å; Y364-E368 PolarHBondContact O-N 2.74Å; Y364-S406 PolarHBondContact N-OG 2.92Å; Y364-E409 HydrophobicContact CE2-CB 4.26Å; Y364-E409 HydrophobicContact CE2-CG 4.04Å; Y364-A410 HydrophobicContact CD1-CB 4.25Å; Y364-A410 HydrophobicContact CD2-CB 3.64Å; Y364-A410 HydrophobicContact CE1-CB 4.33Å; Y364-A410 HydrophobicContact CE2-CB 3.73Å; Y364-A410 HydrophobicContact CG-CB 3.89Å |
| 365 | E | 83.9 | Confident | 79.7 | Confident | 135 Ų | 135 | 55.7 Ų | 55.7 | 63% | 0.631 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -62 | -42.1 | 178.5 | -64 | -178 | 176.7 | 0 | 0 | 112.2 | E362 T367 E368 D369 | E362-E365 PolarHBondContact O-N 3.09Å; E365-T367 VanDerWaalsContact C-N 3.29Å; E365-T367 PolarHBondContact O-N 3.45Å; E365-E368 PolarHBondContact O-N 3.5Å; E365-D369 PolarHBondContact O-N 2.91Å |
| 366 | A | 82.6 | Confident | 80.4 | Confident | 4 Ų | 4 | 60.4 Ų | 60.4 | 3% | 0.033 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -60.4 | -39.6 | 176 | 0 | 0 | 0 | 0 | 0 | 112 | G355 E362 Y364 A370 L395 | G355-A366 WeakPolarHBondContact CA-O 3.16Å; E362-A366 WeakPolarHBondContact O-CB 3.14Å; E362-A366 PolarHBondContact O-N 3.34Å; Y364-A366 PolarHBondContact O-N 3.41Å; A366-A370 WeakPolarHBondContact O-CB 3.27Å; A366-A370 PolarHBondContact O-N 2.8Å; A366-A370 VanDerWaalsContact O-N 3.08Å; A366-L395 HydrophobicContact CB-CD2 4.18Å |
| 367 | T | 85.2 | Confident | 81 | Confident | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -69.2 | -40.2 | 176.1 | -56.3 | 0 | 0 | 0 | 0 | 111 | I363 Y364 E365 A370 F371 F407 A410 | I363-T367 WeakPolarHBondContact O-CB 3.12Å; I363-T367 PolarHBondContact O-N 3.4Å; I363-T367 PolarHBondContact O-OG1 3.45Å; Y364-T367 WeakPolarHBondContact O-CB 3.43Å; Y364-T367 PolarHBondContact O-N 2.75Å; E365-T367 VanDerWaalsContact C-N 3.29Å; E365-T367 PolarHBondContact O-N 3.45Å; T367-A370 PolarHBondContact O-N 3.12Å; T367-F371 VanDerWaalsContact O-CB 3.27Å; T367-F371 WeakPolarHBondContact O-CB 3.33Å; T367-F371 PolarHBondContact O-N 3.02Å; T367-F407 HydrophobicContact CG2-CD2 3.58Å; T367-F407 HydrophobicContact CG2-CE2 3.96Å; T367-A410 HydrophobicContact CG2-CB 3.78Å |
| 368 | E | 85.5 | Confident | 81.9 | Confident | 48 Ų | 48 | 55.9 Ų | 55.9 | 22% | 0.224 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -63.3 | -39.3 | 175.3 | -69.2 | -162.2 | 130.8 | 0 | 0 | 112.5 | Y364 E365 F371 S372 A410 Q414 R417 | Y364-E368 HydrophobicContact CD1-CG 4.11Å; Y364-E368 HydrophobicContact CE1-CG 3.9Å; Y364-E368 WeakPolarHBondContact CE1-OE1 3.25Å; Y364-E368 WeakPolarHBondContact O-CG 3.47Å; Y364-E368 PolarHBondContact O-N 2.74Å; E365-E368 PolarHBondContact O-N 3.5Å; E368-F371 PolarHBondContact O-N 3.27Å; E368-S372 VanDerWaalsContact O-CB 3.27Å; E368-S372 WeakPolarHBondContact O-CB 3.43Å; E368-S372 PolarHBondContact O-N 2.95Å; E368-S372 PolarHBondContact O-OG 3.2Å; E368-A410 HydrophobicContact CG-CB 4.32Å; E368-Q414 HydrophobicContact CG-CG 3.98Å; E368-Q414 PolarHBondContact OE1-NE2 3.41Å; E368-R417 IonicContact OE1-CZ 2.67Å; E368-R417 IonicContact OE1-NH1 3.87Å; E368-R417 IonicContact OE1-NH2 2.89Å; E368-R417 PolarHBondContact OE1-NH2 2.9Å |
| 369 | D | 81.8 | Confident | 82.8 | Confident | 83 Ų | 83 | 50.4 Ų | 50.4 | 44% | 0.444 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -64.5 | -49.5 | 175.3 | -179 | 60 | 0 | 0 | 0 | 111.4 | E365 F371 S372 Q373 | E365-D369 PolarHBondContact O-N 2.91Å; D369-F371 VanDerWaalsContact C-N 3.3Å; D369-F371 PolarHBondContact O-N 3.09Å; D369-S372 PolarHBondContact O-N 2.91Å; D369-S372 VanDerWaalsContact O-N 3.14Å; D369-Q373 WeakPolarHBondContact O-CG 3.36Å; D369-Q373 PolarHBondContact O-N 3.5Å; D369-Q373 PolarHBondContact OD2-NE2 3.08Å |
| 370 | A | 81.2 | Confident | 83.1 | Confident | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -59.2 | -42 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | A366 T367 M374 V393 | A366-A370 WeakPolarHBondContact O-CB 3.27Å; A366-A370 PolarHBondContact O-N 2.8Å; A366-A370 VanDerWaalsContact O-N 3.08Å; T367-A370 PolarHBondContact O-N 3.12Å; A370-M374 PolarHBondContact O-N 3.25Å; A370-V393 HydrophobicContact CB-CG1 3.96Å; A370-V393 HydrophobicContact CB-CG2 4Å |
| 371 | F | 86.3 | Confident | 83.6 | Confident | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -65.1 | -41.7 | 176 | -166.9 | -78.8 | 0 | 0 | 0 | 111.6 | T367 E368 D369 M374 K375 F391 Y411 Q414 L415 W418 | T367-F371 VanDerWaalsContact O-CB 3.27Å; T367-F371 WeakPolarHBondContact O-CB 3.33Å; T367-F371 PolarHBondContact O-N 3.02Å; E368-F371 PolarHBondContact O-N 3.27Å; D369-F371 VanDerWaalsContact C-N 3.3Å; D369-F371 PolarHBondContact O-N 3.09Å; F371-M374 HydrophobicContact CD1-CE 4.18Å; F371-M374 HydrophobicContact CD2-CE 3.87Å; F371-M374 HydrophobicContact CE1-CE 3.98Å; F371-M374 HydrophobicContact CE2-CE 3.67Å; F371-M374 HydrophobicContact CG-CE 4.13Å; F371-M374 HydrophobicContact CZ-CE 3.72Å; F371-M374 WeakPolarHBondContact O-CB 3.39Å; F371-M374 PolarHBondContact O-N 3.29Å; F371-K375 HydrophobicContact CD1-CB 4.24Å; F371-K375 HydrophobicContact CE1-CB 4.18Å; F371-K375 HydrophobicContact CE1-CD 4.37Å; F371-K375 WeakPolarHBondContact O-CB 3.28Å; F371-K375 PolarHBondContact O-N 3.41Å; F371-F391 HydrophobicContact CB-CZ 4.3Å; F371-F391 HydrophobicContact CD2-CE1 4.29Å; F371-F391 HydrophobicContact CD2-CE2 4.27Å; F371-F391 AromaticContact CD2-CZ 3.78Å; F371-F391 HydrophobicContact CD2-CZ 3.78Å; F371-F391 HydrophobicContact CG-CZ 4.44Å; F371-Y411 AromaticContact CD2-CD2 3.76Å; F371-Y411 HydrophobicContact CD2-CD2 3.76Å; F371-Y411 AromaticContact CD2-CE2 3.98Å; F371-Y411 HydrophobicContact CD2-CE2 3.98Å; F371-Y411 AromaticContact CE2-CD2 3.83Å; F371-Y411 HydrophobicContact CE2-CD2 3.83Å; F371-Y411 AromaticContact CE2-CE2 3.71Å; F371-Y411 HydrophobicContact CE2-CE2 3.71Å; F371-Q414 HydrophobicContact CB-CB 4.41Å; F371-Q414 HydrophobicContact CB-CG 4.5Å; F371-Q414 HydrophobicContact CD1-CB 3.58Å; F371-Q414 HydrophobicContact CD1-CG 4.25Å; F371-Q414 HydrophobicContact CD2-CB 3.96Å; F371-Q414 HydrophobicContact CE1-CB 3.72Å; F371-Q414 HydrophobicContact CE2-CB 4.07Å; F371-Q414 HydrophobicContact CG-CB 3.71Å; F371-Q414 HydrophobicContact CG-CG 4.29Å; F371-Q414 HydrophobicContact CZ-CB 3.96Å; F371-L415 HydrophobicContact CE2-CB 4.18Å; F371-L415 HydrophobicContact CZ-CB 4.14Å; F371-L415 HydrophobicContact CZ-CD1 4.39Å; F371-W418 HydrophobicContact CE1-CE3 4.09Å; F371-W418 AromaticContact CZ-CE3 3.92Å; F371-W418 HydrophobicContact CZ-CE3 3.92Å |
| 372 | S | 85 | Confident | 83.8 | Confident | 45 Ų | 45 | 52.9 Ų | 52.9 | 32% | 0.315 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -65 | -41.7 | 179.5 | -62.9 | 0 | 0 | 0 | 0 | 111.7 | E368 D369 M374 K375 N376 | E368-S372 VanDerWaalsContact O-CB 3.27Å; E368-S372 WeakPolarHBondContact O-CB 3.43Å; E368-S372 PolarHBondContact O-N 2.95Å; E368-S372 PolarHBondContact O-OG 3.2Å; D369-S372 PolarHBondContact O-N 2.91Å; D369-S372 VanDerWaalsContact O-N 3.14Å; S372-M374 VanDerWaalsContact C-N 3.29Å; S372-M374 PolarHBondContact O-N 3.01Å; S372-K375 PolarHBondContact O-N 2.78Å; S372-N376 WeakPolarHBondContact O-CB 3.23Å; S372-N376 PolarHBondContact O-N 3.39Å; S372-N376 PolarHBondContact O-ND2 2.66Å |
| 373 | Q | 82.7 | Confident | 84 | Confident | 73 Ų | 73 | 50.7 Ų | 50.7 | 34% | 0.341 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -56.6 | -44.3 | 172.5 | -69.2 | 173.9 | 53.7 | 0 | 0 | 111.4 | Y353 Y354 D369 V377 | Y353-Q373 HydrophobicContact CD1-CB 3.68Å; Y353-Q373 HydrophobicContact CE1-CB 4.1Å; Y354-Q373 PolarHBondContact O-NE2 3.46Å; Y354-Q373 VanDerWaalsContact O-NE2 3.07Å; D369-Q373 WeakPolarHBondContact O-CG 3.36Å; D369-Q373 PolarHBondContact O-N 3.5Å; D369-Q373 PolarHBondContact OD2-NE2 3.08Å; Q373-V377 WeakPolarHBondContact O-CG2 3.19Å; Q373-V377 PolarHBondContact O-N 3.2Å |
| 374 | M | 84.7 | Confident | 84 | Confident | 4 Ų | 4 | 55 Ų | 55 | 2% | 0.02 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -64.3 | -57.5 | 174.6 | 179 | -154 | 56 | 0 | 0 | 111.5 | T350 Y353 A370 F371 S372 N376 V377 F378 I388 F391 W418 | T350-M374 HydrophobicContact CG2-CG 4.17Å; T350-M374 HydrophobicContact CG2-SD 3.83Å; Y353-M374 HydrophobicContact CD1-CB 4.09Å; Y353-M374 HydrophobicContact CD2-CB 3.76Å; Y353-M374 HydrophobicContact CD2-CG 4.15Å; Y353-M374 VanDerWaalsContact CE1-CA 3.46Å; Y353-M374 HydrophobicContact CE1-CB 4Å; Y353-M374 HydrophobicContact CE2-CB 3.66Å; Y353-M374 HydrophobicContact CE2-CG 3.73Å; Y353-M374 HydrophobicContact CG-CB 3.96Å; Y353-M374 VanDerWaalsContact CZ-CA 3.49Å; A370-M374 PolarHBondContact O-N 3.25Å; F371-M374 HydrophobicContact CD1-CE 4.18Å; F371-M374 HydrophobicContact CD2-CE 3.87Å; F371-M374 HydrophobicContact CE1-CE 3.98Å; F371-M374 HydrophobicContact CE2-CE 3.67Å; F371-M374 HydrophobicContact CG-CE 4.13Å; F371-M374 HydrophobicContact CZ-CE 3.72Å; F371-M374 WeakPolarHBondContact O-CB 3.39Å; F371-M374 PolarHBondContact O-N 3.29Å; S372-M374 VanDerWaalsContact C-N 3.29Å; S372-M374 PolarHBondContact O-N 3.01Å; M374-N376 PolarHBondContact O-N 3.31Å; M374-N376 VanDerWaalsContact O-N 3.15Å; M374-V377 WeakPolarHBondContact O-CA 3.24Å; M374-V377 WeakPolarHBondContact O-CB 3.5Å; M374-V377 PolarHBondContact O-N 3.47Å; M374-F378 HydrophobicContact CG-CD2 3.58Å; M374-F378 HydrophobicContact CG-CE2 3.69Å; M374-F378 WeakPolarHBondContact O-CD2 3.42Å; M374-F378 PolarHBondContact O-N 2.86Å; M374-I388 HydrophobicContact SD-CD1 4.14Å; M374-F391 HydrophobicContact CB-CE2 4.09Å; M374-F391 HydrophobicContact CE-CD2 4Å; M374-F391 HydrophobicContact CE-CE2 3.75Å; M374-F391 HydrophobicContact CG-CD2 4.41Å; M374-F391 HydrophobicContact CG-CE2 4.22Å; M374-F391 HydrophobicContact SD-CD2 3.2Å; M374-F391 WeakPolarHBondContact SD-CD2 3.43Å; M374-F391 HydrophobicContact SD-CE2 3.35Å; M374-F391 WeakPolarHBondContact SD-CE2 3.39Å; M374-F391 HydrophobicContact SD-CG 4.36Å; M374-W418 HydrophobicContact CE-CE3 4.42Å; M374-W418 HydrophobicContact CE-CZ3 3.83Å |
| 375 | K | 85.9 | Confident | 83.8 | Confident | 34 Ų | 34 | 51.7 Ų | 51.7 | 15% | 0.148 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -51.1 | -43.4 | -177.2 | -178.3 | -178.5 | 176.7 | -178.8 | 0 | 110.9 | F371 S372 V377 F378 A379 W418 E421 | F371-K375 HydrophobicContact CD1-CB 4.24Å; F371-K375 HydrophobicContact CE1-CB 4.18Å; F371-K375 HydrophobicContact CE1-CD 4.37Å; F371-K375 WeakPolarHBondContact O-CB 3.28Å; F371-K375 PolarHBondContact O-N 3.41Å; S372-K375 PolarHBondContact O-N 2.78Å; K375-V377 PolarHBondContact O-N 2.76Å; K375-F378 PolarHBondContact O-N 3.25Å; K375-A379 WeakPolarHBondContact O-CB 3.15Å; K375-A379 PolarHBondContact O-N 3.12Å; K375-W418 HydrophobicContact CD-CB 4.46Å; K375-W418 HydrophobicContact CD-CD2 4.31Å; K375-W418 HydrophobicContact CD-CG 4.13Å; K375-W418 HydrophobicContact CG-CD2 3.98Å; K375-W418 HydrophobicContact CG-CE3 4.34Å; K375-W418 HydrophobicContact CG-CG 4.3Å; K375-W418 HydrophobicContact CG-CZ2 4.39Å; K375-E421 VanDerWaalsContact CE-OE2 3.24Å; K375-E421 WeakPolarHBondContact CE-OE2 3.5Å; K375-E421 IonicContact NZ-OE1 3.27Å; K375-E421 PolarHBondContact NZ-OE1 3.27Å; K375-E421 IonicContact NZ-OE2 3.38Å; K375-E421 PolarHBondContact NZ-OE2 3.07Å |
| 376 | N | 85.2 | Confident | 83.6 | Confident | 101 Ų | 101 | 47.3 Ų | 47.3 | 54% | 0.54 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -59 | -46.2 | 176.8 | -72.3 | -21.6 | 0 | 0 | 0 | 112.3 | S372 M374 L380 | S372-N376 WeakPolarHBondContact O-CB 3.23Å; S372-N376 PolarHBondContact O-N 3.39Å; S372-N376 PolarHBondContact O-ND2 2.66Å; M374-N376 PolarHBondContact O-N 3.31Å; M374-N376 VanDerWaalsContact O-N 3.15Å; N376-L380 WeakPolarHBondContact O-CB 3.4Å; N376-L380 VanDerWaalsContact O-CD1 3.32Å; N376-L380 WeakPolarHBondContact O-CD1 3.47Å; N376-L380 WeakPolarHBondContact O-CG 3.27Å; N376-L380 PolarHBondContact O-N 2.95Å |
| 377 | V | 82.9 | Confident | 83.5 | Confident | 24 Ų | 24 | 49.6 Ų | 49.6 | 15% | 0.145 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -62.2 | -46.1 | 177.7 | 172.1 | 0 | 0 | 0 | 0 | 111.3 | F339 Y353 Q373 M374 K375 N381 | F339-V377 HydrophobicContact CB-CG1 3.69Å; F339-V377 HydrophobicContact CD2-CG1 3.99Å; F339-V377 HydrophobicContact CD2-CG2 4.44Å; F339-V377 HydrophobicContact CG-CG1 4Å; F339-V377 HydrophobicContact CG-CG2 4.28Å; Y353-V377 HydrophobicContact CE1-CG2 4.45Å; Q373-V377 WeakPolarHBondContact O-CG2 3.19Å; Q373-V377 PolarHBondContact O-N 3.2Å; M374-V377 WeakPolarHBondContact O-CA 3.24Å; M374-V377 WeakPolarHBondContact O-CB 3.5Å; M374-V377 PolarHBondContact O-N 3.47Å; K375-V377 PolarHBondContact O-N 2.76Å; V377-N381 PolarHBondContact O-N 3.03Å; V377-N381 PolarHBondContact O-ND2 3.37Å |
| 378 | F | 85.1 | Confident | 83.3 | Confident | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -74.8 | -41.6 | -175 | -79.1 | -98.1 | 0 | 0 | 0 | 112.5 | A340 Y348 T350 M374 K375 N381 E382 I383 I388 W418 | A340-F378 HydrophobicContact CB-CE1 4.03Å; A340-F378 HydrophobicContact CB-CE2 4.26Å; A340-F378 HydrophobicContact CB-CZ 3.46Å; A340-F378 VanDerWaalsContact CB-CZ 3.46Å; Y348-F378 HydrophobicContact CG-CE1 4.27Å; T350-F378 HydrophobicContact CG2-CE2 3.76Å; T350-F378 HydrophobicContact CG2-CZ 3.65Å; M374-F378 HydrophobicContact CG-CD2 3.58Å; M374-F378 HydrophobicContact CG-CE2 3.69Å; M374-F378 WeakPolarHBondContact O-CD2 3.42Å; M374-F378 PolarHBondContact O-N 2.86Å; K375-F378 PolarHBondContact O-N 3.25Å; F378-N381 CarbonylContact O-C 3.49Å; F378-N381 PolarHBondContact O-N 3.46Å; F378-N381 VanDerWaalsContact O-N 3.08Å; F378-E382 PolarHBondContact O-N 3.43Å; F378-I383 HydrophobicContact CB-CB 4.42Å; F378-I383 HydrophobicContact CD1-CB 3.92Å; F378-I383 HydrophobicContact CD1-CD1 4.2Å; F378-I383 HydrophobicContact CD1-CG2 3.64Å; F378-I383 HydrophobicContact CE1-CG2 4.28Å; F378-I383 PolarHBondContact O-N 2.74Å; F378-I388 HydrophobicContact CD1-CD1 3.7Å; F378-I388 HydrophobicContact CD1-CG1 3.9Å; F378-I388 HydrophobicContact CD2-CD1 4.41Å; F378-I388 HydrophobicContact CE1-CD1 3.91Å; F378-I388 HydrophobicContact CE1-CG1 3.81Å; F378-I388 HydrophobicContact CG-CD1 3.97Å; F378-I388 HydrophobicContact CZ-CD1 4.34Å; F378-I388 HydrophobicContact CZ-CG1 4.49Å; F378-W418 HydrophobicContact CB-CH2 3.73Å; F378-W418 HydrophobicContact CB-CZ2 4.17Å; F378-W418 HydrophobicContact CG-CH2 4.49Å |
| 379 | A | 84 | Confident | 82.7 | Confident | 52 Ų | 52 | 49.7 Ų | 49.7 | 43% | 0.43 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -63.8 | -40 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | K375 N381 E382 | K375-A379 WeakPolarHBondContact O-CB 3.15Å; K375-A379 PolarHBondContact O-N 3.12Å; A379-N381 PolarHBondContact O-N 3.07Å; A379-E382 PolarHBondContact O-N 2.85Å |
| 380 | L | 82.7 | Confident | 82.1 | Confident | 143 Ų | 143 | 48.6 Ų | 48.6 | 75% | 0.749 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -61.6 | -23.2 | 173.3 | -76.8 | 170.7 | 0 | 0 | 0 | 113.4 | N376 | N376-L380 WeakPolarHBondContact O-CB 3.4Å; N376-L380 VanDerWaalsContact O-CD1 3.32Å; N376-L380 WeakPolarHBondContact O-CD1 3.47Å; N376-L380 WeakPolarHBondContact O-CG 3.27Å; N376-L380 PolarHBondContact O-N 2.95Å |
| 381 | N | 82.3 | Confident | 81.4 | Confident | 63 Ų | 63 | 48.6 Ų | 48.6 | 34% | 0.337 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.8 | 12.8 | 177.2 | -73.2 | -86.8 | 0 | 0 | 0 | 112.7 | I336 V377 F378 A379 I383 | I336-N381 HydrophobicContact CD1-CB 4.03Å; V377-N381 PolarHBondContact O-N 3.03Å; V377-N381 PolarHBondContact O-ND2 3.37Å; F378-N381 CarbonylContact O-C 3.49Å; F378-N381 PolarHBondContact O-N 3.46Å; F378-N381 VanDerWaalsContact O-N 3.08Å; A379-N381 PolarHBondContact O-N 3.07Å; N381-I383 HydrophobicContact CB-CD1 3.96Å; N381-I383 HydrophobicContact CB-CG1 4.4Å; N381-I383 PolarHBondContact O-N 3.25Å |
| 382 | E | 83.9 | Confident | 80.4 | Confident | 176 Ų | 176 | 49.7 Ų | 49.7 | 82% | 0.822 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.4 | 27.9 | -179.9 | -57.4 | 178.4 | 174.1 | 0 | 0 | 114 | F378 A379 | F378-E382 PolarHBondContact O-N 3.43Å; A379-E382 PolarHBondContact O-N 2.85Å |
| 383 | I | 84.4 | Confident | 79.5 | Confident | 10 Ų | 10 | 47.6 Ų | 47.6 | 5% | 0.051 | 24% | 0.244 | C | C | . | . | trans | -95.4 | 126.2 | 179.4 | -65.9 | 159.9 | 0 | 0 | 0 | 109.9 | I336 Y348 F378 N381 Q387 W418 | I336-I383 HydrophobicContact CD1-CD1 2.92Å; I336-I383 HydrophobicContact CD1-CG1 4.39Å; I336-I383 HydrophobicContact CG1-CD1 4.41Å; Y348-I383 HydrophobicContact CD1-CD1 4.32Å; Y348-I383 HydrophobicContact CD2-CD1 4.01Å; Y348-I383 HydrophobicContact CD2-CG1 4.41Å; Y348-I383 HydrophobicContact CD2-CG2 3.86Å; Y348-I383 HydrophobicContact CE1-CD1 3.91Å; Y348-I383 HydrophobicContact CE2-CD1 3.6Å; Y348-I383 HydrophobicContact CE2-CG1 3.89Å; Y348-I383 HydrophobicContact CE2-CG2 4.08Å; Y348-I383 HydrophobicContact CG-CD1 4.37Å; F378-I383 HydrophobicContact CB-CB 4.42Å; F378-I383 HydrophobicContact CD1-CB 3.92Å; F378-I383 HydrophobicContact CD1-CD1 4.2Å; F378-I383 HydrophobicContact CD1-CG2 3.64Å; F378-I383 HydrophobicContact CE1-CG2 4.28Å; F378-I383 PolarHBondContact O-N 2.74Å; N381-I383 HydrophobicContact CB-CD1 3.96Å; N381-I383 HydrophobicContact CB-CG1 4.4Å; N381-I383 PolarHBondContact O-N 3.25Å; I383-Q387 HydrophobicContact CG2-CB 3.68Å; I383-Q387 HydrophobicContact CG2-CG 4.45Å; I383-W418 WeakPolarHBondContact O-CZ2 3.2Å | ||
| 384 | K | 84.2 | Confident | 78.5 | Confident | 90 Ų | 90 | 44.8 Ų | 44.8 | 39% | 0.391 | 23% | 0.232 | S | C | . | . | trans | -79.9 | 151.2 | -178.5 | -58.6 | -175 | 178.8 | -174.9 | 0 | 111 | Q386 Q387 V422 | K384-Q386 PolarHBondContact O-N 2.69Å; K384-Q386 VanDerWaalsContact O-N 3.15Å; K384-Q387 HydrophobicContact CB-CG 4.4Å; K384-Q387 VanDerWaalsContact O-CB 3.28Å; K384-Q387 WeakPolarHBondContact O-CB 3.44Å; K384-Q387 PolarHBondContact O-N 2.64Å; K384-V422 HydrophobicContact CB-CG1 4.46Å; K384-V422 HydrophobicContact CD-CG1 3.96Å; K384-V422 HydrophobicContact CG-CG1 4.09Å | ||
| 385 | P | 81.5 | Confident | 77.6 | Confident | 1 Ų | 1 | 44.6 Ų | 44.6 | 1% | 0.006 | 23% | 0.231 | C | C | . | . | G | 310 helix | trans | -55.2 | -34.3 | 178.3 | 17.8 | -29.2 | 0 | 0 | 0 | 113.2 | Q387 I388 L415 W418 L419 V422 P439 | P385-Q387 PolarHBondContact O-N 2.79Å; P385-Q387 VanDerWaalsContact O-N 3.14Å; P385-I388 WeakPolarHBondContact O-CB 3.4Å; P385-I388 PolarHBondContact O-N 3.44Å; P385-L415 HydrophobicContact CB-CD1 3.89Å; P385-W418 HydrophobicContact CB-CD2 4.04Å; P385-W418 HydrophobicContact CB-CE3 3.74Å; P385-W418 HydrophobicContact CB-CH2 4.33Å; P385-W418 HydrophobicContact CB-CZ3 3.9Å; P385-W418 HydrophobicContact CG-CD2 4.03Å; P385-W418 HydrophobicContact CG-CE3 4.26Å; P385-W418 HydrophobicContact CG-CG 4.32Å; P385-L419 HydrophobicContact CB-CD2 4.1Å; P385-L419 HydrophobicContact CG-CD2 3.59Å; P385-L419 HydrophobicContact CG-CG 4.11Å; P385-V422 HydrophobicContact CG-CG2 4.48Å; P385-P439 WeakPolarHBondContact O-CG 3.39Å |
| 386 | Q | 79.3 | Confident | 76.7 | Confident | 42 Ų | 42 | 44.9 Ų | 44.9 | 20% | 0.196 | 24% | 0.237 | C | C | . | . | G | 310 helix | trans | -66.2 | -13 | 178 | -57.6 | 86 | -12.1 | 0 | 0 | 113.7 | K384 L419 | K384-Q386 PolarHBondContact O-N 2.69Å; K384-Q386 VanDerWaalsContact O-N 3.15Å; Q386-L419 HydrophobicContact CG-CD2 4.24Å |
| 387 | Q | 80.4 | Confident | 75.8 | Confident | 52 Ų | 52 | 41.2 Ų | 41.2 | 24% | 0.243 | 22% | 0.217 | C | C | . | . | G | 310 helix | trans | -89.6 | -3.3 | 176 | -64.9 | 178.6 | -94.7 | 0 | 0 | 112.5 | G346 M347 Y348 I383 K384 P385 | G346-Q387 VanDerWaalsContact O-CB 3.29Å; G346-Q387 WeakPolarHBondContact O-CB 3.36Å; G346-Q387 WeakPolarHBondContact O-CG 3.4Å; G346-Q387 PolarHBondContact O-NE2 2.88Å; M347-Q387 CarbonylContact C-O 3.6Å; M347-Q387 VanDerWaalsContact CA-O 3.23Å; M347-Q387 WeakPolarHBondContact CA-O 3.46Å; Y348-Q387 HydrophobicContact CD2-CB 4.38Å; Y348-Q387 PolarHBondContact N-O 2.86Å; I383-Q387 HydrophobicContact CG2-CB 3.68Å; I383-Q387 HydrophobicContact CG2-CG 4.45Å; K384-Q387 HydrophobicContact CB-CG 4.4Å; K384-Q387 VanDerWaalsContact O-CB 3.28Å; K384-Q387 WeakPolarHBondContact O-CB 3.44Å; K384-Q387 PolarHBondContact O-N 2.64Å; P385-Q387 PolarHBondContact O-N 2.79Å; P385-Q387 VanDerWaalsContact O-N 3.14Å |
| 388 | I | 79.5 | Confident | 75.2 | Confident | 3 Ų | 3 | 48.6 Ų | 48.6 | 2% | 0.015 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 120.3 | -179.4 | -54 | 176.9 | 0 | 0 | 0 | 108.8 | Y348 T350 M374 F378 P385 W418 P439 | Y348-I388 CarbonylContact O-C 3.46Å; Y348-I388 WeakPolarHBondContact O-CA 3.27Å; T350-I388 HydrophobicContact CG2-CG2 3.73Å; M374-I388 HydrophobicContact SD-CD1 4.14Å; F378-I388 HydrophobicContact CD1-CD1 3.7Å; F378-I388 HydrophobicContact CD1-CG1 3.9Å; F378-I388 HydrophobicContact CD2-CD1 4.41Å; F378-I388 HydrophobicContact CE1-CD1 3.91Å; F378-I388 HydrophobicContact CE1-CG1 3.81Å; F378-I388 HydrophobicContact CG-CD1 3.97Å; F378-I388 HydrophobicContact CZ-CD1 4.34Å; F378-I388 HydrophobicContact CZ-CG1 4.49Å; P385-I388 WeakPolarHBondContact O-CB 3.4Å; P385-I388 PolarHBondContact O-N 3.44Å; I388-W418 HydrophobicContact CD1-CH2 3.77Å; I388-W418 HydrophobicContact CD1-CZ3 3.8Å; I388-P439 HydrophobicContact CB-CB 4.13Å; I388-P439 HydrophobicContact CB-CG 3.94Å; I388-P439 HydrophobicContact CG2-CB 4.01Å; I388-P439 HydrophobicContact CG2-CG 4.33Å; I388-P439 WeakPolarHBondContact O-CA 3.38Å; I388-P439 VanDerWaalsContact O-CB 3.24Å; I388-P439 WeakPolarHBondContact O-CB 3.35Å; I388-P439 WeakPolarHBondContact O-CG 3.22Å |
| 389 | V | 73.1 | Confident | 74.6 | Confident | 48 Ų | 48 | 49.9 Ų | 49.9 | 29% | 0.291 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | -41 | 178.2 | 173.2 | 0 | 0 | 0 | 0 | 111.4 | L343 M347 Y348 V349 T440 | L343-V389 HydrophobicContact CD1-CB 3.82Å; L343-V389 HydrophobicContact CD1-CG1 4.13Å; L343-V389 HydrophobicContact CD1-CG2 3.46Å; L343-V389 VanDerWaalsContact CD1-CG2 3.46Å; M347-V389 HydrophobicContact CB-CG2 4.02Å; M347-V389 HydrophobicContact CE-CG2 3.35Å; M347-V389 HydrophobicContact CG-CG2 4.46Å; M347-V389 HydrophobicContact SD-CG2 3.67Å; Y348-V389 PolarHBondContact O-N 3.11Å; V349-V389 HydrophobicContact CG2-CB 4.41Å; V389-T440 PolarHBondContact O-N 2.79Å |
| 390 | Q | 69.6 | Low | 74.3 | Confident | 59 Ų | 59 | 49 Ų | 49 | 28% | 0.276 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 134.5 | -171.9 | -176.7 | -178.1 | 11.9 | 0 | 0 | 111.1 | V349 T350 I392 T440 V442 | V349-Q390 HydrophobicContact CG1-CB 4.28Å; T350-Q390 WeakPolarHBondContact CG2-O 3.46Å; T350-Q390 PolarHBondContact N-O 3.08Å; T350-Q390 VanDerWaalsContact N-O 3.15Å; T350-Q390 PolarHBondContact OG1-O 3.18Å; Q390-I392 HydrophobicContact CG-CG1 4.15Å; Q390-T440 CarbonylContact C-O 3.46Å; Q390-T440 VanDerWaalsContact CA-O 3.3Å; Q390-T440 WeakPolarHBondContact CA-O 3.38Å; Q390-V442 HydrophobicContact CG-CG2 4.25Å; Q390-V442 VanDerWaalsContact NE2-CG2 3.35Å |
| 391 | F | 67.8 | Low | 74 | Confident | 1 Ų | 1 | 47.3 Ų | 47.3 | 0% | 0.004 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 128 | 175.9 | 176.1 | -111.8 | 0 | 0 | 0 | 110.7 | T350 F371 M374 V393 F407 Y411 T440 R441 V442 | T350-F391 HydrophobicContact CG2-CD2 4.46Å; F371-F391 HydrophobicContact CB-CZ 4.3Å; F371-F391 HydrophobicContact CD2-CE1 4.29Å; F371-F391 HydrophobicContact CD2-CE2 4.27Å; F371-F391 AromaticContact CD2-CZ 3.78Å; F371-F391 HydrophobicContact CD2-CZ 3.78Å; F371-F391 HydrophobicContact CG-CZ 4.44Å; M374-F391 HydrophobicContact CB-CE2 4.09Å; M374-F391 HydrophobicContact CE-CD2 4Å; M374-F391 HydrophobicContact CE-CE2 3.75Å; M374-F391 HydrophobicContact CG-CD2 4.41Å; M374-F391 HydrophobicContact CG-CE2 4.22Å; M374-F391 HydrophobicContact SD-CD2 3.2Å; M374-F391 WeakPolarHBondContact SD-CD2 3.43Å; M374-F391 HydrophobicContact SD-CE2 3.35Å; M374-F391 WeakPolarHBondContact SD-CE2 3.39Å; M374-F391 HydrophobicContact SD-CG 4.36Å; F391-V393 HydrophobicContact CD1-CG2 3.93Å; F391-V393 HydrophobicContact CE1-CB 4.22Å; F391-V393 HydrophobicContact CE1-CG2 3.04Å; F391-V393 HydrophobicContact CE2-CG2 3.93Å; F391-V393 HydrophobicContact CZ-CG2 3.06Å; F391-F407 HydrophobicContact CE1-CE2 4.41Å; F391-Y411 HydrophobicContact CB-CE2 4.03Å; F391-Y411 AromaticContact CD1-CD2 3.39Å; F391-Y411 HydrophobicContact CD1-CD2 3.39Å; F391-Y411 AromaticContact CD1-CE2 3.01Å; F391-Y411 HydrophobicContact CD1-CE2 3.01Å; F391-Y411 AromaticContact CD1-CZ 3.93Å; F391-Y411 HydrophobicContact CD2-CE2 4.33Å; F391-Y411 AromaticContact CE1-CD2 3.16Å; F391-Y411 HydrophobicContact CE1-CD2 3.16Å; F391-Y411 AromaticContact CE1-CE2 3.27Å; F391-Y411 HydrophobicContact CE1-CE2 3.27Å; F391-Y411 HydrophobicContact CE1-CG 4.35Å; F391-Y411 HydrophobicContact CG-CD2 4.32Å; F391-Y411 AromaticContact CG-CE2 3.55Å; F391-Y411 HydrophobicContact CG-CE2 3.55Å; F391-Y411 HydrophobicContact CZ-CD2 4.02Å; F391-Y411 HydrophobicContact CZ-CE2 4.05Å; F391-T440 PolarHBondContact N-O 2.9Å; F391-R441 HydrophobicContact CD1-CB 4.41Å; F391-R441 CarbonylContact O-C 3.57Å; F391-V442 PolarHBondContact O-N 3.03Å |
| 392 | I | 64.7 | Low | 73.9 | Confident | 23 Ų | 23 | 49.7 Ų | 49.7 | 12% | 0.118 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 118.4 | -178.6 | -52.5 | 174.1 | 0 | 0 | 0 | 109.9 | T350 N352 Y353 Q390 V442 I444 | T350-I392 PolarHBondContact OG1-N 3Å; N352-I392 WeakPolarHBondContact OD1-CG2 3.41Å; Y353-I392 PolarHBondContact N-O 3.37Å; Q390-I392 HydrophobicContact CG-CG1 4.15Å; I392-V442 WeakPolarHBondContact CA-O 3.46Å; I392-V442 HydrophobicContact CG1-CB 4.24Å; I392-I444 HydrophobicContact CG2-CD1 3.69Å; I392-I444 HydrophobicContact CG2-CG1 4.22Å |
| 393 | V | 66.5 | Low | 73.8 | Confident | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 133.5 | 172.1 | 174 | 0 | 0 | 0 | 0 | 110 | Y353 A370 F391 L395 F407 V442 C443 I444 | Y353-V393 WeakPolarHBondContact O-CA 3.38Å; A370-V393 HydrophobicContact CB-CG1 3.96Å; A370-V393 HydrophobicContact CB-CG2 4Å; F391-V393 HydrophobicContact CD1-CG2 3.93Å; F391-V393 HydrophobicContact CE1-CB 4.22Å; F391-V393 HydrophobicContact CE1-CG2 3.04Å; F391-V393 HydrophobicContact CE2-CG2 3.93Å; F391-V393 HydrophobicContact CZ-CG2 3.06Å; V393-L395 HydrophobicContact CG1-CD2 3.75Å; V393-L395 HydrophobicContact CG1-CG 3.99Å; V393-F407 HydrophobicContact CB-CE2 3.86Å; V393-F407 HydrophobicContact CG1-CE2 4.31Å; V393-F407 HydrophobicContact CG2-CE2 4.16Å; V393-V442 PolarHBondContact N-O 2.9Å; V393-C443 WeakPolarHBondContact O-CA 3.42Å; V393-I444 PolarHBondContact O-N 3.2Å |
| 394 | V | 59.9 | Low | 73.5 | Confident | 15 Ų | 15 | 43.5 Ų | 43.5 | 9% | 0.091 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 120.3 | 173.7 | -172.4 | 0 | 0 | 0 | 0 | 108.9 | N352 Y353 Y354 G355 I444 V446 | N352-V394 HydrophobicContact CB-CG2 4.3Å; Y353-V394 PolarHBondContact O-N 3.17Å; Y354-V394 HydrophobicContact CD1-CB 3.71Å; Y354-V394 HydrophobicContact CD1-CG1 4.2Å; Y354-V394 HydrophobicContact CD1-CG2 4.12Å; Y354-V394 HydrophobicContact CE1-CB 3.92Å; Y354-V394 HydrophobicContact CE1-CG1 4.27Å; Y354-V394 HydrophobicContact CE1-CG2 3.86Å; G355-V394 PolarHBondContact N-O 3.32Å; V394-I444 CarbonylContact C-O 3.6Å; V394-I444 WeakPolarHBondContact CA-O 3.2Å; V394-I444 HydrophobicContact CG1-CG2 4.49Å; V394-I444 HydrophobicContact CG2-CB 4.24Å; V394-I444 HydrophobicContact CG2-CD1 4.49Å; V394-V446 HydrophobicContact CG1-CG2 3.57Å |
| 395 | L | 66.6 | Low | 73.3 | Confident | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 135.3 | 178.4 | -62.4 | 177.7 | 0 | 0 | 0 | 110.4 | I363 A366 V393 Q397 V403 F407 I444 C445 V446 | I363-L395 HydrophobicContact CD1-CB 4.29Å; I363-L395 HydrophobicContact CD1-CD1 4.01Å; I363-L395 HydrophobicContact CD1-CD2 4.38Å; I363-L395 HydrophobicContact CD1-CG 4.47Å; I363-L395 HydrophobicContact CG2-CD1 3.78Å; A366-L395 HydrophobicContact CB-CD2 4.18Å; V393-L395 HydrophobicContact CG1-CD2 3.75Å; V393-L395 HydrophobicContact CG1-CG 3.99Å; L395-Q397 PolarHBondContact O-N 3.46Å; L395-V403 HydrophobicContact CD1-CG1 4.19Å; L395-F407 HydrophobicContact CD1-CB 4.11Å; L395-F407 HydrophobicContact CD1-CD2 4.26Å; L395-F407 HydrophobicContact CD1-CG 4.47Å; L395-I444 PolarHBondContact N-O 3.47Å; L395-C445 WeakPolarHBondContact O-CA 3.04Å; L395-V446 PolarHBondContact O-N 3.41Å |
| 396 | S | 66.9 | Low | 73.4 | Confident | 40 Ų | 40 | 43.5 Ų | 43.5 | 28% | 0.28 | 23% | 0.232 | S | C | . | . | S | Bend | trans | -77.8 | 40.9 | 177.4 | 56.8 | 0 | 0 | 0 | 0 | 113.8 | G357 V446 | G357-S396 PolarHBondContact N-OG 3.44Å; G357-S396 PolarHBondContact O-OG 3.29Å; S396-V446 CarbonylContact C-O 3.48Å |
| 397 | Q | 67.4 | Low | 73.7 | Confident | 23 Ų | 23 | 41.5 Ų | 41.5 | 11% | 0.107 | 22% | 0.222 | C | C | . | . | S | Bend | trans | -132.4 | 158.5 | -180 | -71.9 | -62.6 | -29.8 | 0 | 0 | 111.8 | G357 E358 I363 L395 V403 C445 V446 | G357-Q397 PolarHBondContact O-NE2 3.34Å; E358-Q397 PolarHBondContact O-NE2 3.46Å; I363-Q397 HydrophobicContact CD1-CB 3.93Å; I363-Q397 HydrophobicContact CD1-CG 3.38Å; I363-Q397 HydrophobicContact CG1-CG 4.14Å; L395-Q397 PolarHBondContact O-N 3.46Å; Q397-V403 HydrophobicContact CB-CG1 4.35Å; Q397-V403 HydrophobicContact CB-CG2 4.2Å; Q397-C445 CarbonylContact O-C 3.58Å; Q397-C445 WeakPolarHBondContact O-CA 3.49Å; Q397-C445 WeakPolarHBondContact O-CB 3.45Å; Q397-V446 CarbonylContact C-O 3.4Å; Q397-V446 PolarHBondContact N-O 2.95Å; Q397-V446 CarbonylContact O-C 3.53Å; Q397-V446 PolarHBondContact O-N 3.32Å |
| 398 | R | 69.3 | Low | 73.6 | Confident | 180 Ų | 180 | 41 Ų | 41 | 68% | 0.679 | 22% | 0.221 | S | C | * | . | trans | -68.2 | 138 | 169.3 | -177.7 | 177.8 | 178.6 | 173.8 | 0.7 | 109.8 | S400 | R398-S400 PolarHBondContact O-N 3.41Å; R398-S400 VanDerWaalsContact O-N 3.07Å | ||
| 399 | L | 72.5 | Confident | 73.7 | Confident | 27 Ų | 27 | 46.5 Ų | 46.5 | 14% | 0.141 | 25% | 0.247 | C | C | . | . | trans | -63.8 | 113.4 | 175.3 | -170.1 | 64.5 | 0 | 0 | 0 | 110.1 | C445 Q457 K459 | L399-C445 HydrophobicContact CB-CB 3.74Å; L399-C445 HydrophobicContact CD1-CB 4.33Å; L399-Q457 HydrophobicContact CB-CB 4.48Å; L399-Q457 HydrophobicContact CD2-CB 3.94Å; L399-K459 HydrophobicContact CD2-CD 4.05Å; L399-K459 HydrophobicContact CD2-CG 4.05Å | ||
| 400 | S | 78 | Confident | 74.3 | Confident | 32 Ų | 32 | 44.2 Ų | 44.2 | 22% | 0.224 | 23% | 0.233 | C | C | . | . | trans | -128.9 | 161.7 | 171 | 77.2 | 0 | 0 | 0 | 0 | 109.8 | R398 D402 V403 F404 | R398-S400 PolarHBondContact O-N 3.41Å; R398-S400 VanDerWaalsContact O-N 3.07Å; S400-D402 PolarHBondContact O-N 3.1Å; S400-D402 PolarHBondContact OG-N 3.21Å; S400-V403 PolarHBondContact O-N 2.9Å; S400-V403 VanDerWaalsContact OG-CG2 3.32Å; S400-V403 WeakPolarHBondContact OG-CG2 3.12Å; S400-V403 PolarHBondContact OG-N 3.32Å; S400-V403 VanDerWaalsContact OG-N 3.1Å; S400-F404 PolarHBondContact O-N 3.49Å | ||
| 401 | P | 76.9 | Confident | 74.9 | Confident | 109 Ų | 109 | 41.6 Ų | 41.6 | 71% | 0.708 | 22% | 0.22 | S | C | * | . | H | α-helix | trans | -53.6 | -39.9 | 172 | -26.5 | 36 | 0 | 0 | 0 | 112.8 | F404 S405 | P401-F404 PolarHBondContact O-N 3.32Å; P401-S405 WeakPolarHBondContact O-CB 3.2Å; P401-S405 PolarHBondContact O-N 2.83Å |
| 402 | D | 80.1 | Confident | 75.4 | Confident | 113 Ų | 113 | 43.6 Ų | 43.6 | 60% | 0.604 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -68.7 | -44 | -179.2 | -52.4 | -42.9 | 0 | 0 | 0 | 112 | V360 S400 F404 S405 S406 | V360-D402 HydrophobicContact CG1-CB 4.09Å; S400-D402 PolarHBondContact O-N 3.1Å; S400-D402 PolarHBondContact OG-N 3.21Å; D402-F404 VanDerWaalsContact C-N 3.32Å; D402-F404 PolarHBondContact O-N 3.18Å; D402-S405 PolarHBondContact O-N 2.85Å; D402-S406 WeakPolarHBondContact O-CB 3.18Å; D402-S406 PolarHBondContact O-N 3.12Å |
| 403 | V | 80.7 | Confident | 76 | Confident | 1 Ų | 1 | 43.6 Ų | 43.6 | 1% | 0.006 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -60.2 | -44.9 | 174.9 | 169.7 | 0 | 0 | 0 | 0 | 110.2 | V360 I363 L395 Q397 S400 F407 | V360-V403 HydrophobicContact CG1-CG2 4.18Å; V360-V403 HydrophobicContact CG2-CG2 4.2Å; I363-V403 HydrophobicContact CD1-CG1 4.3Å; I363-V403 HydrophobicContact CG1-CG1 4.24Å; I363-V403 HydrophobicContact CG1-CG2 4.3Å; I363-V403 HydrophobicContact CG2-CG1 4.35Å; L395-V403 HydrophobicContact CD1-CG1 4.19Å; Q397-V403 HydrophobicContact CB-CG1 4.35Å; Q397-V403 HydrophobicContact CB-CG2 4.2Å; S400-V403 PolarHBondContact O-N 2.9Å; S400-V403 VanDerWaalsContact OG-CG2 3.32Å; S400-V403 WeakPolarHBondContact OG-CG2 3.12Å; S400-V403 PolarHBondContact OG-N 3.32Å; S400-V403 VanDerWaalsContact OG-N 3.1Å; V403-F407 VanDerWaalsContact O-CB 3.28Å; V403-F407 WeakPolarHBondContact O-CB 3.34Å; V403-F407 PolarHBondContact O-N 3Å |
| 404 | F | 78.9 | Confident | 76.9 | Confident | 55 Ų | 55 | 44.3 Ų | 44.3 | 24% | 0.241 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -66.8 | -40.5 | 177.8 | -177.3 | -100.8 | 0 | 0 | 0 | 112.2 | S400 P401 D402 F407 N408 W461 | S400-F404 PolarHBondContact O-N 3.49Å; P401-F404 PolarHBondContact O-N 3.32Å; D402-F404 VanDerWaalsContact C-N 3.32Å; D402-F404 PolarHBondContact O-N 3.18Å; F404-F407 HydrophobicContact CD2-CD1 4.2Å; F404-F407 HydrophobicContact CE2-CD1 4.26Å; F404-F407 HydrophobicContact CE2-CE1 4.44Å; F404-F407 PolarHBondContact O-N 3.22Å; F404-N408 HydrophobicContact CE1-CB 4.46Å; F404-N408 WeakPolarHBondContact O-CB 3.37Å; F404-N408 PolarHBondContact O-N 3.36Å; F404-W461 AromaticContact CE2-CD1 3.71Å; F404-W461 AromaticContact CE2-NE1 3.96Å; F404-W461 AromaticContact CZ-CD1 3.75Å; F404-W461 HydrophobicContact CZ-CG 4.2Å |
| 405 | S | 79.8 | Confident | 77.9 | Confident | 69 Ų | 69 | 44 Ų | 44 | 48% | 0.483 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -61.6 | -47.8 | 177.8 | -168.9 | 0 | 0 | 0 | 0 | 111.2 | P401 D402 N408 E409 | P401-S405 WeakPolarHBondContact O-CB 3.2Å; P401-S405 PolarHBondContact O-N 2.83Å; D402-S405 PolarHBondContact O-N 2.85Å; S405-N408 PolarHBondContact O-N 3.07Å; S405-E409 WeakPolarHBondContact O-CB 3.36Å; S405-E409 PolarHBondContact O-N 3.41Å |
| 406 | S | 84.2 | Confident | 78.3 | Confident | 22 Ų | 22 | 48.1 Ų | 48.1 | 15% | 0.154 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -63 | -45.9 | 178.3 | -177.5 | 0 | 0 | 0 | 0 | 111.9 | Y364 D402 N408 E409 A410 | Y364-S406 PolarHBondContact N-OG 2.92Å; D402-S406 WeakPolarHBondContact O-CB 3.18Å; D402-S406 PolarHBondContact O-N 3.12Å; S406-N408 VanDerWaalsContact C-N 3.33Å; S406-N408 PolarHBondContact O-N 2.8Å; S406-E409 PolarHBondContact O-N 2.74Å; S406-A410 WeakPolarHBondContact O-CB 3.2Å; S406-A410 PolarHBondContact O-N 3.35Å |
| 407 | F | 84.5 | Confident | 79 | Confident | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -56.1 | -47.4 | 171.6 | 162 | -100 | 0 | 0 | 0 | 111.9 | I363 T367 F391 V393 L395 V403 F404 A410 Y411 R441 C443 | I363-F407 HydrophobicContact CG2-CB 4.21Å; T367-F407 HydrophobicContact CG2-CD2 3.58Å; T367-F407 HydrophobicContact CG2-CE2 3.96Å; F391-F407 HydrophobicContact CE1-CE2 4.41Å; V393-F407 HydrophobicContact CB-CE2 3.86Å; V393-F407 HydrophobicContact CG1-CE2 4.31Å; V393-F407 HydrophobicContact CG2-CE2 4.16Å; L395-F407 HydrophobicContact CD1-CB 4.11Å; L395-F407 HydrophobicContact CD1-CD2 4.26Å; L395-F407 HydrophobicContact CD1-CG 4.47Å; V403-F407 VanDerWaalsContact O-CB 3.28Å; V403-F407 WeakPolarHBondContact O-CB 3.34Å; V403-F407 PolarHBondContact O-N 3Å; F404-F407 HydrophobicContact CD2-CD1 4.2Å; F404-F407 HydrophobicContact CE2-CD1 4.26Å; F404-F407 HydrophobicContact CE2-CE1 4.44Å; F404-F407 PolarHBondContact O-N 3.22Å; F407-A410 PolarHBondContact O-N 2.68Å; F407-Y411 VanDerWaalsContact O-CB 3.24Å; F407-Y411 WeakPolarHBondContact O-CB 3.41Å; F407-Y411 PolarHBondContact O-N 3.48Å; F407-R441 HydrophobicContact CE1-CB 4.45Å; F407-R441 HydrophobicContact CE1-CG 4.23Å; F407-R441 HydrophobicContact CZ-CB 4.2Å; F407-R441 HydrophobicContact CZ-CG 4.47Å; F407-C443 HydrophobicContact CD1-CB 3.81Å; F407-C443 HydrophobicContact CD2-CB 4.33Å; F407-C443 HydrophobicContact CE1-CB 3.67Å; F407-C443 HydrophobicContact CE2-CB 4.21Å; F407-C443 HydrophobicContact CG-CB 4.15Å; F407-C443 HydrophobicContact CZ-CB 3.88Å |
| 408 | N | 79.4 | Confident | 79.8 | Confident | 42 Ų | 42 | 50.2 Ų | 50.2 | 23% | 0.225 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -66.9 | -41.5 | -175.3 | -174.6 | 76.6 | 0 | 0 | 0 | 111.8 | F404 S405 S406 T412 R441 | F404-N408 HydrophobicContact CE1-CB 4.46Å; F404-N408 WeakPolarHBondContact O-CB 3.37Å; F404-N408 PolarHBondContact O-N 3.36Å; S405-N408 PolarHBondContact O-N 3.07Å; S406-N408 VanDerWaalsContact C-N 3.33Å; S406-N408 PolarHBondContact O-N 2.8Å; N408-T412 WeakPolarHBondContact O-CB 3.39Å; N408-T412 VanDerWaalsContact O-CG2 3.29Å; N408-T412 WeakPolarHBondContact O-CG2 3.49Å; N408-T412 PolarHBondContact O-N 2.94Å; N408-T412 PolarHBondContact O-OG1 3.23Å; N408-R441 PolarHBondContact OD1-NE 3.02Å; N408-R441 PolarHBondContact OD1-NH2 3.41Å |
| 409 | E | 81.8 | Confident | 80.1 | Confident | 118 Ų | 118 | 42.4 Ų | 42.4 | 55% | 0.551 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -62.9 | -50.2 | 175.7 | -168.2 | 179.2 | 174.5 | 0 | 0 | 111.2 | Y364 S405 S406 Y411 T412 G413 | Y364-E409 HydrophobicContact CE2-CB 4.26Å; Y364-E409 HydrophobicContact CE2-CG 4.04Å; S405-E409 WeakPolarHBondContact O-CB 3.36Å; S405-E409 PolarHBondContact O-N 3.41Å; S406-E409 PolarHBondContact O-N 2.74Å; E409-Y411 PolarHBondContact O-N 3.19Å; E409-T412 PolarHBondContact O-N 2.92Å; E409-T412 PolarHBondContact O-OG1 3.35Å; E409-G413 PolarHBondContact O-N 3.37Å |
| 410 | A | 84.8 | Confident | 80.1 | Confident | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -59.3 | -48.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112 | Y364 T367 E368 S406 F407 G413 Q414 | Y364-A410 HydrophobicContact CD1-CB 4.25Å; Y364-A410 HydrophobicContact CD2-CB 3.64Å; Y364-A410 HydrophobicContact CE1-CB 4.33Å; Y364-A410 HydrophobicContact CE2-CB 3.73Å; Y364-A410 HydrophobicContact CG-CB 3.89Å; T367-A410 HydrophobicContact CG2-CB 3.78Å; E368-A410 HydrophobicContact CG-CB 4.32Å; S406-A410 WeakPolarHBondContact O-CB 3.2Å; S406-A410 PolarHBondContact O-N 3.35Å; F407-A410 PolarHBondContact O-N 2.68Å; A410-G413 PolarHBondContact O-N 3.07Å; A410-Q414 WeakPolarHBondContact O-CB 3.04Å; A410-Q414 VanDerWaalsContact O-CG 3.23Å; A410-Q414 WeakPolarHBondContact O-CG 3.34Å; A410-Q414 PolarHBondContact O-N 2.66Å |
| 411 | Y | 83.1 | Confident | 80.2 | Confident | 3 Ų | 3 | 49.5 Ų | 49.5 | 1% | 0.012 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -60.8 | -50.8 | 179.9 | 175.8 | -96.4 | 0 | 0 | 0 | 112.3 | F371 F391 F407 E409 G413 Q414 L415 P439 R441 | F371-Y411 AromaticContact CD2-CD2 3.76Å; F371-Y411 HydrophobicContact CD2-CD2 3.76Å; F371-Y411 AromaticContact CD2-CE2 3.98Å; F371-Y411 HydrophobicContact CD2-CE2 3.98Å; F371-Y411 AromaticContact CE2-CD2 3.83Å; F371-Y411 HydrophobicContact CE2-CD2 3.83Å; F371-Y411 AromaticContact CE2-CE2 3.71Å; F371-Y411 HydrophobicContact CE2-CE2 3.71Å; F391-Y411 HydrophobicContact CB-CE2 4.03Å; F391-Y411 AromaticContact CD1-CD2 3.39Å; F391-Y411 HydrophobicContact CD1-CD2 3.39Å; F391-Y411 AromaticContact CD1-CE2 3.01Å; F391-Y411 HydrophobicContact CD1-CE2 3.01Å; F391-Y411 AromaticContact CD1-CZ 3.93Å; F391-Y411 HydrophobicContact CD2-CE2 4.33Å; F391-Y411 AromaticContact CE1-CD2 3.16Å; F391-Y411 HydrophobicContact CE1-CD2 3.16Å; F391-Y411 AromaticContact CE1-CE2 3.27Å; F391-Y411 HydrophobicContact CE1-CE2 3.27Å; F391-Y411 HydrophobicContact CE1-CG 4.35Å; F391-Y411 HydrophobicContact CG-CD2 4.32Å; F391-Y411 AromaticContact CG-CE2 3.55Å; F391-Y411 HydrophobicContact CG-CE2 3.55Å; F391-Y411 HydrophobicContact CZ-CD2 4.02Å; F391-Y411 HydrophobicContact CZ-CE2 4.05Å; F407-Y411 VanDerWaalsContact O-CB 3.24Å; F407-Y411 WeakPolarHBondContact O-CB 3.41Å; F407-Y411 PolarHBondContact O-N 3.48Å; E409-Y411 PolarHBondContact O-N 3.19Å; Y411-G413 VanDerWaalsContact C-N 3.35Å; Y411-G413 PolarHBondContact O-N 2.98Å; Y411-Q414 PolarHBondContact O-N 2.78Å; Y411-L415 HydrophobicContact CE1-CD2 3.86Å; Y411-L415 WeakPolarHBondContact O-CB 3.39Å; Y411-L415 PolarHBondContact O-N 3.37Å; Y411-P439 PolarHBondContact OH-O 2.88Å; Y411-R441 HydrophobicContact CD1-CB 4.23Å; Y411-R441 HydrophobicContact CD1-CG 4.36Å; Y411-R441 HydrophobicContact CE1-CB 3.88Å; Y411-R441 VanDerWaalsContact CE1-CD 3.48Å; Y411-R441 HydrophobicContact CE1-CG 4.25Å; Y411-R441 HydrophobicContact CE2-CB 4.38Å |
| 412 | T | 76.6 | Confident | 79.9 | Confident | 44 Ų | 44 | 45.4 Ų | 45.4 | 27% | 0.27 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -65.9 | -39.7 | -178.1 | 51.7 | 0 | 0 | 0 | 0 | 111.4 | N408 E409 Q414 L415 N416 | N408-T412 WeakPolarHBondContact O-CB 3.39Å; N408-T412 VanDerWaalsContact O-CG2 3.29Å; N408-T412 WeakPolarHBondContact O-CG2 3.49Å; N408-T412 PolarHBondContact O-N 2.94Å; N408-T412 PolarHBondContact O-OG1 3.23Å; E409-T412 PolarHBondContact O-N 2.92Å; E409-T412 PolarHBondContact O-OG1 3.35Å; T412-Q414 PolarHBondContact O-N 3.5Å; T412-L415 PolarHBondContact O-N 3.46Å; T412-N416 WeakPolarHBondContact O-CB 3.37Å; T412-N416 PolarHBondContact O-N 3.46Å; T412-N416 PolarHBondContact O-ND2 3.3Å |
| 413 | G | 77.9 | Confident | 78.9 | Confident | 22 Ų | 22 | 45.7 Ų | 45.7 | 23% | 0.227 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -62.3 | -40.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | E409 A410 Y411 R417 | E409-G413 PolarHBondContact O-N 3.37Å; A410-G413 PolarHBondContact O-N 3.07Å; Y411-G413 VanDerWaalsContact C-N 3.35Å; Y411-G413 PolarHBondContact O-N 2.98Å; G413-R417 WeakPolarHBondContact O-CG 3.47Å; G413-R417 PolarHBondContact O-N 3.44Å; G413-R417 PolarHBondContact O-NE 3.47Å |
| 414 | Q | 85.3 | Confident | 77.7 | Confident | 15 Ų | 15 | 51.1 Ų | 51.1 | 7% | 0.07 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -73.2 | -41 | 177.6 | -73.6 | -72.6 | -11.2 | 0 | 0 | 112.7 | E368 F371 A410 Y411 T412 R417 W418 | E368-Q414 HydrophobicContact CG-CG 3.98Å; E368-Q414 PolarHBondContact OE1-NE2 3.41Å; F371-Q414 HydrophobicContact CB-CB 4.41Å; F371-Q414 HydrophobicContact CB-CG 4.5Å; F371-Q414 HydrophobicContact CD1-CB 3.58Å; F371-Q414 HydrophobicContact CD1-CG 4.25Å; F371-Q414 HydrophobicContact CD2-CB 3.96Å; F371-Q414 HydrophobicContact CE1-CB 3.72Å; F371-Q414 HydrophobicContact CE2-CB 4.07Å; F371-Q414 HydrophobicContact CG-CB 3.71Å; F371-Q414 HydrophobicContact CG-CG 4.29Å; F371-Q414 HydrophobicContact CZ-CB 3.96Å; A410-Q414 WeakPolarHBondContact O-CB 3.04Å; A410-Q414 VanDerWaalsContact O-CG 3.23Å; A410-Q414 WeakPolarHBondContact O-CG 3.34Å; A410-Q414 PolarHBondContact O-N 2.66Å; Y411-Q414 PolarHBondContact O-N 2.78Å; T412-Q414 PolarHBondContact O-N 3.5Å; Q414-R417 VanDerWaalsContact CD-NH1 3.33Å; Q414-R417 PolarHBondContact O-N 3.04Å; Q414-W418 PolarHBondContact O-N 3.39Å |
| 415 | L | 81.5 | Confident | 76.5 | Confident | 10 Ų | 10 | 54.5 Ų | 54.5 | 5% | 0.052 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -64.3 | -44.9 | 176.9 | -178.6 | 63.8 | 0 | 0 | 0 | 111.8 | F371 P385 Y411 T412 W418 L419 M438 P439 | F371-L415 HydrophobicContact CE2-CB 4.18Å; F371-L415 HydrophobicContact CZ-CB 4.14Å; F371-L415 HydrophobicContact CZ-CD1 4.39Å; P385-L415 HydrophobicContact CB-CD1 3.89Å; Y411-L415 HydrophobicContact CE1-CD2 3.86Å; Y411-L415 WeakPolarHBondContact O-CB 3.39Å; Y411-L415 PolarHBondContact O-N 3.37Å; T412-L415 PolarHBondContact O-N 3.46Å; L415-W418 PolarHBondContact O-N 2.71Å; L415-L419 HydrophobicContact CD1-CD1 4.43Å; L415-L419 HydrophobicContact CD1-CG 4.48Å; L415-L419 HydrophobicContact CG-CD1 4Å; L415-L419 WeakPolarHBondContact O-CG 3.29Å; L415-L419 PolarHBondContact O-N 3.23Å; L415-M438 HydrophobicContact CD2-SD 4Å; L415-P439 HydrophobicContact CD1-CG 4.4Å |
| 416 | N | 75.2 | Confident | 75 | Confident | 85 Ų | 85 | 53.3 Ų | 53.3 | 46% | 0.455 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -62 | -44.5 | 177.7 | -72.6 | -18.4 | 0 | 0 | 0 | 111.6 | T412 W418 L419 E420 | T412-N416 WeakPolarHBondContact O-CB 3.37Å; T412-N416 PolarHBondContact O-N 3.46Å; T412-N416 PolarHBondContact O-ND2 3.3Å; N416-W418 VanDerWaalsContact C-N 3.29Å; N416-W418 PolarHBondContact O-N 2.85Å; N416-L419 PolarHBondContact O-N 2.93Å; N416-E420 WeakPolarHBondContact O-CG 3.35Å; N416-E420 PolarHBondContact O-N 3.17Å |
| 417 | R | 81.6 | Confident | 73.1 | Confident | 98 Ų | 98 | 58.9 Ų | 58.9 | 37% | 0.37 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -57 | -43.3 | 174 | -81.3 | -179.5 | -90.7 | 153.9 | -12 | 112 | E368 G413 Q414 E420 E421 | E368-R417 IonicContact OE1-CZ 2.67Å; E368-R417 IonicContact OE1-NH1 3.87Å; E368-R417 IonicContact OE1-NH2 2.89Å; E368-R417 PolarHBondContact OE1-NH2 2.9Å; G413-R417 WeakPolarHBondContact O-CG 3.47Å; G413-R417 PolarHBondContact O-N 3.44Å; G413-R417 PolarHBondContact O-NE 3.47Å; Q414-R417 VanDerWaalsContact CD-NH1 3.33Å; Q414-R417 PolarHBondContact O-N 3.04Å; R417-E420 PolarHBondContact O-N 3.14Å; R417-E421 VanDerWaalsContact O-CG 3.3Å; R417-E421 WeakPolarHBondContact O-CG 3.37Å; R417-E421 PolarHBondContact O-N 3.2Å |
| 418 | W | 83.5 | Confident | 71.2 | Confident | 9 Ų | 9 | 66.2 Ų | 66.2 | 3% | 0.034 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -69.2 | -37.2 | 178.1 | -171.3 | 18.9 | 0 | 0 | 0 | 112.8 | F371 M374 K375 F378 I383 P385 I388 Q414 L415 N416 E421 V422 | F371-W418 HydrophobicContact CE1-CE3 4.09Å; F371-W418 AromaticContact CZ-CE3 3.92Å; F371-W418 HydrophobicContact CZ-CE3 3.92Å; M374-W418 HydrophobicContact CE-CE3 4.42Å; M374-W418 HydrophobicContact CE-CZ3 3.83Å; K375-W418 HydrophobicContact CD-CB 4.46Å; K375-W418 HydrophobicContact CD-CD2 4.31Å; K375-W418 HydrophobicContact CD-CG 4.13Å; K375-W418 HydrophobicContact CG-CD2 3.98Å; K375-W418 HydrophobicContact CG-CE3 4.34Å; K375-W418 HydrophobicContact CG-CG 4.3Å; K375-W418 HydrophobicContact CG-CZ2 4.39Å; F378-W418 HydrophobicContact CB-CH2 3.73Å; F378-W418 HydrophobicContact CB-CZ2 4.17Å; F378-W418 HydrophobicContact CG-CH2 4.49Å; I383-W418 WeakPolarHBondContact O-CZ2 3.2Å; P385-W418 HydrophobicContact CB-CD2 4.04Å; P385-W418 HydrophobicContact CB-CE3 3.74Å; P385-W418 HydrophobicContact CB-CH2 4.33Å; P385-W418 HydrophobicContact CB-CZ3 3.9Å; P385-W418 HydrophobicContact CG-CD2 4.03Å; P385-W418 HydrophobicContact CG-CE3 4.26Å; P385-W418 HydrophobicContact CG-CG 4.32Å; I388-W418 HydrophobicContact CD1-CH2 3.77Å; I388-W418 HydrophobicContact CD1-CZ3 3.8Å; Q414-W418 PolarHBondContact O-N 3.39Å; L415-W418 PolarHBondContact O-N 2.71Å; N416-W418 VanDerWaalsContact C-N 3.29Å; N416-W418 PolarHBondContact O-N 2.85Å; W418-E421 PolarHBondContact O-N 3.25Å; W418-V422 VanDerWaalsContact O-CG2 3.31Å; W418-V422 WeakPolarHBondContact O-CG2 3.4Å; W418-V422 PolarHBondContact O-N 3.17Å; W418-V422 VanDerWaalsContact O-N 3.11Å |
| 419 | L | 75.6 | Confident | 69.3 | Low | 17 Ų | 17 | 67.1 Ų | 67.1 | 9% | 0.089 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -62.3 | -44.7 | 173.8 | -73.7 | 163.6 | 0 | 0 | 0 | 111.6 | P385 Q386 L415 N416 V422 E423 M438 | P385-L419 HydrophobicContact CB-CD2 4.1Å; P385-L419 HydrophobicContact CG-CD2 3.59Å; P385-L419 HydrophobicContact CG-CG 4.11Å; Q386-L419 HydrophobicContact CG-CD2 4.24Å; L415-L419 HydrophobicContact CD1-CD1 4.43Å; L415-L419 HydrophobicContact CD1-CG 4.48Å; L415-L419 HydrophobicContact CG-CD1 4Å; L415-L419 WeakPolarHBondContact O-CG 3.29Å; L415-L419 PolarHBondContact O-N 3.23Å; N416-L419 PolarHBondContact O-N 2.93Å; L419-V422 PolarHBondContact O-N 2.85Å; L419-E423 PolarHBondContact O-N 2.94Å; L419-M438 HydrophobicContact CD1-CE 3.66Å; L419-M438 HydrophobicContact CD1-SD 3.69Å; L419-M438 HydrophobicContact CD2-CE 4.31Å |
| 420 | E | 73.8 | Confident | 67 | Low | 116 Ų | 116 | 72 Ų | 72 | 54% | 0.542 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -61.4 | -43.9 | 176.7 | -72.8 | 172 | -174.8 | 0 | 0 | 111.9 | N416 R417 V422 E423 I424 | N416-E420 WeakPolarHBondContact O-CG 3.35Å; N416-E420 PolarHBondContact O-N 3.17Å; R417-E420 PolarHBondContact O-N 3.14Å; E420-V422 VanDerWaalsContact C-N 3.31Å; E420-V422 PolarHBondContact O-N 2.73Å; E420-E423 PolarHBondContact O-N 3.44Å; E420-I424 WeakPolarHBondContact O-CD1 3.12Å; E420-I424 WeakPolarHBondContact O-CG1 3.37Å; E420-I424 PolarHBondContact O-N 2.84Å |
| 421 | E | 78.6 | Confident | 64.5 | Low | 92 Ų | 92 | 77.4 Ų | 77.4 | 43% | 0.43 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -56.7 | -44.4 | 174.3 | -73.8 | 167.9 | -163 | 0 | 0 | 111.7 | K375 R417 W418 D425 | K375-E421 VanDerWaalsContact CE-OE2 3.24Å; K375-E421 WeakPolarHBondContact CE-OE2 3.5Å; K375-E421 IonicContact NZ-OE1 3.27Å; K375-E421 PolarHBondContact NZ-OE1 3.27Å; K375-E421 IonicContact NZ-OE2 3.38Å; K375-E421 PolarHBondContact NZ-OE2 3.07Å; R417-E421 VanDerWaalsContact O-CG 3.3Å; R417-E421 WeakPolarHBondContact O-CG 3.37Å; R417-E421 PolarHBondContact O-N 3.2Å; W418-E421 PolarHBondContact O-N 3.25Å; E421-D425 PolarHBondContact O-N 3.19Å |
| 422 | V | 71 | Confident | 62.3 | Low | 22 Ų | 22 | 86 Ų | 86 | 13% | 0.133 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -74.9 | -33.4 | -178.7 | 175.6 | 0 | 0 | 0 | 0 | 112.2 | K384 P385 W418 L419 E420 D425 S426 | K384-V422 HydrophobicContact CB-CG1 4.46Å; K384-V422 HydrophobicContact CD-CG1 3.96Å; K384-V422 HydrophobicContact CG-CG1 4.09Å; P385-V422 HydrophobicContact CG-CG2 4.48Å; W418-V422 VanDerWaalsContact O-CG2 3.31Å; W418-V422 WeakPolarHBondContact O-CG2 3.4Å; W418-V422 PolarHBondContact O-N 3.17Å; W418-V422 VanDerWaalsContact O-N 3.11Å; L419-V422 PolarHBondContact O-N 2.85Å; E420-V422 VanDerWaalsContact C-N 3.31Å; E420-V422 PolarHBondContact O-N 2.73Å; V422-D425 PolarHBondContact O-N 2.66Å; V422-S426 WeakPolarHBondContact O-CB 3.49Å; V422-S426 PolarHBondContact O-N 3.46Å; V422-S426 VanDerWaalsContact O-N 3.09Å |
| 423 | E | 60 | Low | 60.4 | Low | 119 Ų | 119 | 94.9 Ų | 94.9 | 56% | 0.556 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -67.1 | -41.7 | 175.1 | -83.5 | -170.4 | 174.9 | 0 | 0 | 111.8 | L419 E420 D425 S426 I427 | L419-E423 PolarHBondContact O-N 2.94Å; E420-E423 PolarHBondContact O-N 3.44Å; E423-D425 VanDerWaalsContact C-N 3.26Å; E423-D425 PolarHBondContact O-N 2.83Å; E423-S426 WeakPolarHBondContact CA-OG 3.5Å; E423-S426 PolarHBondContact O-N 3.19Å; E423-S426 PolarHBondContact O-OG 2.94Å; E423-I427 PolarHBondContact O-N 3.07Å; E423-I427 VanDerWaalsContact O-N 3.14Å |
| 424 | I | 54.7 | Low | 58.6 | Low | 116 Ų | 116 | 100.4 Ų | 100.4 | 60% | 0.595 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -58.4 | -40.1 | 175.6 | -69.1 | 164.9 | 0 | 0 | 0 | 110.9 | E420 S426 | E420-I424 WeakPolarHBondContact O-CD1 3.12Å; E420-I424 WeakPolarHBondContact O-CG1 3.37Å; E420-I424 PolarHBondContact O-N 2.84Å; I424-S426 VanDerWaalsContact C-N 3.34Å |
| 425 | D | 53 | Low | 56.5 | Low | 126 Ų | 126 | 106.1 Ų | 106.1 | 67% | 0.674 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -68.2 | -32.9 | 174.6 | -76 | -21.3 | 0 | 0 | 0 | 112.6 | E421 V422 E423 | E421-D425 PolarHBondContact O-N 3.19Å; V422-D425 PolarHBondContact O-N 2.66Å; E423-D425 VanDerWaalsContact C-N 3.26Å; E423-D425 PolarHBondContact O-N 2.83Å |
| 426 | S | 49.3 | Very low | 55 | Low | 43 Ų | 43 | 108.8 Ų | 108.8 | 30% | 0.301 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -79.2 | -20.7 | -175.7 | 76.6 | 0 | 0 | 0 | 0 | 115.2 | V422 E423 I424 N428 S429 | V422-S426 WeakPolarHBondContact O-CB 3.49Å; V422-S426 PolarHBondContact O-N 3.46Å; V422-S426 VanDerWaalsContact O-N 3.09Å; E423-S426 WeakPolarHBondContact CA-OG 3.5Å; E423-S426 PolarHBondContact O-N 3.19Å; E423-S426 PolarHBondContact O-OG 2.94Å; I424-S426 VanDerWaalsContact C-N 3.34Å; S426-N428 PolarHBondContact O-N 3.03Å; S426-S429 CarbonylContact O-C 3.51Å; S426-S429 PolarHBondContact O-N 2.93Å; S426-S429 PolarHBondContact O-OG 3.22Å |
| 427 | I | 44.8 | Very low | 53.9 | Low | 140 Ų | 140 | 113.3 Ų | 113.3 | 72% | 0.718 | 56% | 0.557 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.7 | -20 | 175.7 | -70.1 | 167.7 | 0 | 0 | 0 | 111.5 | E423 | E423-I427 PolarHBondContact O-N 3.07Å; E423-I427 VanDerWaalsContact O-N 3.14Å |
| 428 | N | 44.2 | Very low | 53.1 | Low | 153 Ų | 153 | 113.2 Ų | 113.2 | 82% | 0.818 | 56% | 0.562 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.1 | 1.9 | 174 | -75.3 | -33.4 | 0 | 0 | 0 | 115.4 | S426 | S426-N428 PolarHBondContact O-N 3.03Š|
| 429 | S | 38.9 | Very low | 52.3 | Low | 62 Ų | 62 | 113 Ų | 113 | 43% | 0.434 | 56% | 0.562 | S | S | . | * | S | Bend | trans | -142.5 | 117.4 | -179.9 | 62.6 | 0 | 0 | 0 | 0 | 112.6 | S426 T431 | S426-S429 CarbonylContact O-C 3.51Å; S426-S429 PolarHBondContact O-N 2.93Å; S426-S429 PolarHBondContact O-OG 3.22Å; S429-T431 PolarHBondContact O-N 2.69Å; S429-T431 VanDerWaalsContact O-N 3.09Å |
| 430 | K | 33.3 | Very low | 52 | Low | 219 Ų | 219 | 113.8 Ų | 113.8 | 95% | 0.952 | 57% | 0.567 | S | S | * | * | trans | -67.5 | 101.4 | 172 | -72.4 | 179 | 176.2 | 178.6 | 0 | 109.7 | ||||
| 431 | T | 33.4 | Very low | 51.7 | Low | 114 Ų | 114 | 110.9 Ų | 110.9 | 70% | 0.699 | 55% | 0.551 | S | S | * | * | trans | -137.6 | 143.8 | 167.3 | 26.5 | 0 | 0 | 0 | 0 | 111.3 | S429 | S429-T431 PolarHBondContact O-N 2.69Å; S429-T431 VanDerWaalsContact O-N 3.09Å | ||
| 432 | E | 36.5 | Very low | 51.2 | Low | 185 Ų | 185 | 106.8 Ų | 106.8 | 86% | 0.864 | 53% | 0.533 | S | S | * | . | trans | -60.2 | 149 | -168 | -69.6 | 169.7 | 144.7 | 0 | 0 | 114.4 | I434 | E432-I434 PolarHBondContact O-N 3.08Š| ||
| 433 | Y | 36.5 | Very low | 50.8 | Low | 230 Ų | 230 | 106 Ų | 106 | 90% | 0.902 | 53% | 0.528 | S | S | * | . | trans | -55.6 | 103.8 | 175.6 | -78.9 | -97.2 | 0 | 0 | 0 | 111.1 | ||||
| 434 | I | 39.6 | Very low | 51.1 | Low | 138 Ų | 138 | 101.2 Ų | 101.2 | 71% | 0.708 | 51% | 0.506 | S | S | * | . | trans | -82.4 | 117.6 | 155.4 | -62.3 | 174.7 | 0 | 0 | 0 | 105.5 | E432 S436 | E432-I434 PolarHBondContact O-N 3.08Å; I434-S436 PolarHBondContact O-N 2.74Å | ||
| 435 | D | 41.6 | Very low | 51.5 | Low | 135 Ų | 135 | 95.9 Ų | 95.9 | 72% | 0.722 | 48% | 0.479 | S | S | * | . | trans | -54.9 | 101.5 | 169 | -77.3 | -35 | 0 | 0 | 0 | 108.5 | Y437 | D435-Y437 WeakPolarHBondContact O-CD2 3.41Å; D435-Y437 PolarHBondContact O-N 2.73Å | ||
| 436 | S | 51 | Low | 51.9 | Low | 65 Ų | 65 | 91.9 Ų | 91.9 | 46% | 0.455 | 46% | 0.459 | S | S | . | . | trans | -82.5 | 102.8 | -164.2 | 56.7 | 0 | 0 | 0 | 0 | 110.8 | I434 | I434-S436 PolarHBondContact O-N 2.74Š| ||
| 437 | Y | 51.9 | Low | 52.2 | Low | 181 Ų | 181 | 93 Ų | 93 | 71% | 0.71 | 46% | 0.462 | S | S | * | . | P | Polyproline II helix | trans | -73.2 | 129 | 165.9 | -65 | -86.9 | 0 | 0 | 0 | 109.1 | D435 | D435-Y437 WeakPolarHBondContact O-CD2 3.41Å; D435-Y437 PolarHBondContact O-N 2.73Å |
| 438 | M | 64.1 | Low | 52.5 | Low | 95 Ų | 95 | 90.1 Ų | 90.1 | 47% | 0.468 | 46% | 0.455 | S | S | . | . | P | Polyproline II helix | trans | -68.9 | 141.3 | 169.7 | -70.2 | -66 | 141.6 | 0 | 0 | 109.3 | L415 L419 T440 | L415-M438 HydrophobicContact CD2-SD 4Å; L419-M438 HydrophobicContact CD1-CE 3.66Å; L419-M438 HydrophobicContact CD1-SD 3.69Å; L419-M438 HydrophobicContact CD2-CE 4.31Å; M438-T440 PolarHBondContact O-N 3.45Å |
| 439 | P | 67 | Low | 52.3 | Low | 6 Ų | 6 | 89.4 Ų | 89.4 | 4% | 0.039 | 45% | 0.45 | C | S | . | . | P | Polyproline II helix | trans | -60.5 | 129.1 | 179.2 | -16.3 | 27 | 0 | 0 | 0 | 110.5 | P385 I388 Y411 L415 R441 | P385-P439 WeakPolarHBondContact O-CG 3.39Å; I388-P439 HydrophobicContact CB-CB 4.13Å; I388-P439 HydrophobicContact CB-CG 3.94Å; I388-P439 HydrophobicContact CG2-CB 4.01Å; I388-P439 HydrophobicContact CG2-CG 4.33Å; I388-P439 WeakPolarHBondContact O-CA 3.38Å; I388-P439 VanDerWaalsContact O-CB 3.24Å; I388-P439 WeakPolarHBondContact O-CB 3.35Å; I388-P439 WeakPolarHBondContact O-CG 3.22Å; Y411-P439 PolarHBondContact OH-O 2.88Å; L415-P439 HydrophobicContact CD1-CG 4.4Å; P439-R441 PolarHBondContact O-N 2.85Å |
| 440 | T | 68.9 | Low | 52.2 | Low | 32 Ų | 32 | 88.9 Ų | 88.9 | 20% | 0.196 | 45% | 0.45 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.9 | 129.9 | 173.4 | -56.1 | 0 | 0 | 0 | 0 | 109.1 | V389 Q390 F391 M438 W461 | V389-T440 PolarHBondContact O-N 2.79Å; Q390-T440 CarbonylContact C-O 3.46Å; Q390-T440 VanDerWaalsContact CA-O 3.3Å; Q390-T440 WeakPolarHBondContact CA-O 3.38Å; F391-T440 PolarHBondContact N-O 2.9Å; M438-T440 PolarHBondContact O-N 3.45Å; T440-W461 WeakPolarHBondContact CG2-O 3.43Å |
| 441 | R | 68.6 | Low | 52.5 | Low | 55 Ų | 55 | 87.9 Ų | 87.9 | 21% | 0.208 | 45% | 0.449 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 131.1 | -177.2 | 64.1 | -168.5 | 172.9 | -86 | 1 | 111.8 | F391 F407 N408 Y411 P439 | F391-R441 HydrophobicContact CD1-CB 4.41Å; F391-R441 CarbonylContact O-C 3.57Å; F407-R441 HydrophobicContact CE1-CB 4.45Å; F407-R441 HydrophobicContact CE1-CG 4.23Å; F407-R441 HydrophobicContact CZ-CB 4.2Å; F407-R441 HydrophobicContact CZ-CG 4.47Å; N408-R441 PolarHBondContact OD1-NE 3.02Å; N408-R441 PolarHBondContact OD1-NH2 3.41Å; Y411-R441 HydrophobicContact CD1-CB 4.23Å; Y411-R441 HydrophobicContact CD1-CG 4.36Å; Y411-R441 HydrophobicContact CE1-CB 3.88Å; Y411-R441 VanDerWaalsContact CE1-CD 3.48Å; Y411-R441 HydrophobicContact CE1-CG 4.25Å; Y411-R441 HydrophobicContact CE2-CB 4.38Å; P439-R441 PolarHBondContact O-N 2.85Å |
| 442 | V | 66.2 | Low | 52.5 | Low | 7 Ų | 7 | 90.6 Ų | 90.6 | 4% | 0.042 | 45% | 0.451 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 118.2 | 177.1 | -177.1 | 0 | 0 | 0 | 0 | 108.6 | Q390 F391 I392 V393 I444 T460 | Q390-V442 HydrophobicContact CG-CG2 4.25Å; Q390-V442 VanDerWaalsContact NE2-CG2 3.35Å; F391-V442 PolarHBondContact O-N 3.03Å; I392-V442 WeakPolarHBondContact CA-O 3.46Å; I392-V442 HydrophobicContact CG1-CB 4.24Å; V393-V442 PolarHBondContact N-O 2.9Å; V442-I444 HydrophobicContact CG1-CG1 4.09Å; V442-T460 HydrophobicContact CG2-CG2 3.71Å |
| 443 | C | 64.5 | Low | 52.4 | Low | 5 Ų | 5 | 85.5 Ų | 85.5 | 3% | 0.034 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 119.8 | 173.2 | 177.9 | 0 | 0 | 0 | 0 | 108.9 | V393 F407 | V393-C443 WeakPolarHBondContact O-CA 3.42Å; F407-C443 HydrophobicContact CD1-CB 3.81Å; F407-C443 HydrophobicContact CD2-CB 4.33Å; F407-C443 HydrophobicContact CE1-CB 3.67Å; F407-C443 HydrophobicContact CE2-CB 4.21Å; F407-C443 HydrophobicContact CG-CB 4.15Å; F407-C443 HydrophobicContact CZ-CB 3.88Å |
| 444 | I | 65.8 | Low | 52.2 | Low | 18 Ų | 18 | 82.8 Ų | 82.8 | 9% | 0.092 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 113.5 | 175.8 | -56.8 | 178.9 | 0 | 0 | 0 | 108 | I392 V393 V394 L395 V442 | I392-I444 HydrophobicContact CG2-CD1 3.69Å; I392-I444 HydrophobicContact CG2-CG1 4.22Å; V393-I444 PolarHBondContact O-N 3.2Å; V394-I444 CarbonylContact C-O 3.6Å; V394-I444 WeakPolarHBondContact CA-O 3.2Å; V394-I444 HydrophobicContact CG1-CG2 4.49Å; V394-I444 HydrophobicContact CG2-CB 4.24Å; V394-I444 HydrophobicContact CG2-CD1 4.49Å; L395-I444 PolarHBondContact N-O 3.47Å; V442-I444 HydrophobicContact CG1-CG1 4.09Å |
| 445 | C | 62.7 | Low | 51.7 | Low | 5 Ų | 5 | 83 Ų | 83 | 3% | 0.034 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 122.5 | -178.6 | -83.2 | 0 | 0 | 0 | 0 | 110.8 | L395 Q397 L399 | L395-C445 WeakPolarHBondContact O-CA 3.04Å; Q397-C445 CarbonylContact O-C 3.58Å; Q397-C445 WeakPolarHBondContact O-CA 3.49Å; Q397-C445 WeakPolarHBondContact O-CB 3.45Å; L399-C445 HydrophobicContact CB-CB 3.74Å; L399-C445 HydrophobicContact CD1-CB 4.33Å |
| 446 | V | 62.2 | Low | 51.6 | Low | 41 Ų | 41 | 79.4 Ų | 79.4 | 25% | 0.248 | 40% | 0.404 | C | S | . | . | trans | -104.3 | 121.9 | 179 | -175.2 | 0 | 0 | 0 | 0 | 108.8 | V394 L395 S396 Q397 S448 Y456 | V394-V446 HydrophobicContact CG1-CG2 3.57Å; L395-V446 PolarHBondContact O-N 3.41Å; S396-V446 CarbonylContact C-O 3.48Å; Q397-V446 CarbonylContact C-O 3.4Å; Q397-V446 PolarHBondContact N-O 2.95Å; Q397-V446 CarbonylContact O-C 3.53Å; Q397-V446 PolarHBondContact O-N 3.32Å; V446-S448 PolarHBondContact O-N 2.9Å; V446-Y456 HydrophobicContact CB-CE1 4.2Å; V446-Y456 HydrophobicContact CG1-CE1 3.88Å; V446-Y456 HydrophobicContact CG2-CE1 4.02Å | ||
| 447 | N | 55.4 | Low | 50.9 | Low | 66 Ų | 66 | 81.8 Ų | 81.8 | 35% | 0.353 | 41% | 0.408 | S | S | . | . | trans | -71.1 | 113 | 179.3 | -156.7 | 8.6 | 0 | 0 | 0 | 109.7 | N449 | N447-N449 PolarHBondContact O-N 2.91Š| ||
| 448 | S | 50.3 | Low | 50.1 | Low | 81 Ų | 81 | 77.6 Ų | 77.6 | 57% | 0.566 | 40% | 0.397 | S | S | * | . | S | Bend | trans | -62.7 | -29.4 | 179.9 | 50.9 | 0 | 0 | 0 | 0 | 112.6 | V446 A450 | V446-S448 PolarHBondContact O-N 2.9Å; S448-A450 PolarHBondContact O-N 3.32Å |
| 449 | N | 39.9 | Very low | 48.7 | Very low | 137 Ų | 137 | 78 Ų | 78 | 73% | 0.733 | 40% | 0.396 | S | S | * | . | S | Bend | trans | -94.6 | 84.5 | 173.9 | -78.7 | -22.5 | 0 | 0 | 0 | 111.4 | N447 | N447-N449 PolarHBondContact O-N 2.91Š|
| 450 | A | 36.5 | Very low | 47 | Very low | 51 Ų | 51 | 81.8 Ų | 81.8 | 42% | 0.421 | 42% | 0.419 | S | S | . | . | trans | -169.6 | 120.4 | 145.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | S448 F452 | S448-A450 PolarHBondContact O-N 3.32Å; A450-F452 HydrophobicContact CB-CB 4.42Å; A450-F452 VanDerWaalsContact CB-O 3.24Å; A450-F452 WeakPolarHBondContact CB-O 3.27Å; A450-F452 PolarHBondContact O-N 3.32Å | ||
| 451 | Q | 39.8 | Very low | 45.4 | Very low | 199 Ų | 199 | 86.3 Ų | 86.3 | 93% | 0.93 | 43% | 0.432 | S | S | * | . | S | Bend | trans | -58.4 | 8.5 | 151.3 | -80.2 | 176.2 | -33 | 0 | 0 | 113.3 | ||
| 452 | F | 33.3 | Very low | 43.6 | Very low | 171 Ų | 171 | 95.5 Ų | 95.5 | 75% | 0.75 | 47% | 0.469 | S | S | * | . | S | Bend | trans | -136.3 | 87.5 | 178.5 | -72.4 | -84.9 | 0 | 0 | 0 | 109.4 | A450 Q454 | A450-F452 HydrophobicContact CB-CB 4.42Å; A450-F452 VanDerWaalsContact CB-O 3.24Å; A450-F452 WeakPolarHBondContact CB-O 3.27Å; A450-F452 PolarHBondContact O-N 3.32Å; F452-Q454 VanDerWaalsContact C-N 3.33Å; F452-Q454 PolarHBondContact O-N 3.49Å |
| 453 | I | 33.8 | Very low | 42.5 | Very low | 77 Ų | 77 | 100 Ų | 100 | 40% | 0.395 | 49% | 0.49 | S | S | . | . | trans | -69.4 | 85.8 | 174.1 | -66.9 | 164.7 | 0 | 0 | 0 | 108.7 | K306 Y456 | K306-I453 HydrophobicContact CD-CD1 3.97Å; K306-I453 HydrophobicContact CD-CG2 4.27Å; K306-I453 HydrophobicContact CG-CD1 4.27Å; I453-Y456 HydrophobicContact CG2-CE2 3.33Å; I453-Y456 WeakPolarHBondContact CG2-OH 3.25Å | ||
| 454 | Q | 33.2 | Very low | 41.3 | Very low | 173 Ų | 173 | 104.9 Ų | 104.9 | 81% | 0.808 | 51% | 0.514 | S | S | * | . | trans | -140.6 | 0.2 | 172.2 | -85 | -167.3 | -14.1 | 0 | 0 | 115.4 | F452 | F452-Q454 VanDerWaalsContact C-N 3.33Å; F452-Q454 PolarHBondContact O-N 3.49Å | ||
| 455 | N | 29.6 | Very low | 39.9 | Very low | 142 Ų | 142 | 109.8 Ų | 109.8 | 76% | 0.759 | 54% | 0.538 | S | S | * | . | trans | -124 | 87.6 | 179.8 | -75.4 | -35.1 | 0 | 0 | 0 | 111.7 | ||||
| 456 | Y | 38.6 | Very low | 38.6 | Very low | 60 Ų | 60 | 115.9 Ų | 115.9 | 24% | 0.235 | 57% | 0.567 | C | S | . | * | trans | -102.8 | 143 | 168 | -65.9 | -76.6 | 0 | 0 | 0 | 110.6 | C302 V446 I453 | C302-Y456 HydrophobicContact CB-CD2 4.42Å; V446-Y456 HydrophobicContact CB-CE1 4.2Å; V446-Y456 HydrophobicContact CG1-CE1 3.88Å; V446-Y456 HydrophobicContact CG2-CE1 4.02Å; I453-Y456 HydrophobicContact CG2-CE2 3.33Å; I453-Y456 WeakPolarHBondContact CG2-OH 3.25Å | ||
| 457 | Q | 35.9 | Very low | 37.1 | Very low | 116 Ų | 116 | 120.6 Ų | 120.6 | 54% | 0.542 | 59% | 0.587 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -113.4 | 113.6 | 166.8 | -72.8 | -170 | -18.9 | 0 | 0 | 108.6 | L399 | L399-Q457 HydrophobicContact CB-CB 4.48Å; L399-Q457 HydrophobicContact CD2-CB 3.94Å |
| 458 | I | 36.5 | Very low | 35.9 | Very low | 93 Ų | 93 | 124.3 Ų | 124.3 | 48% | 0.477 | 60% | 0.603 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -95.6 | 122.5 | 170.8 | -60.2 | 171.6 | 0 | 0 | 0 | 107 | ||
| 459 | K | 35 | Very low | 34.9 | Very low | 102 Ų | 102 | 127.4 Ų | 127.4 | 44% | 0.443 | 61% | 0.606 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -123.9 | 123.5 | 167.4 | -72.6 | -165.6 | -179.3 | -179.9 | 0 | 110 | L399 W461 | L399-K459 HydrophobicContact CD2-CD 4.05Å; L399-K459 HydrophobicContact CD2-CG 4.05Å; K459-W461 HydrophobicContact CD-CZ2 3.75Å |
| 460 | T | 30 | Very low | 34.5 | Very low | 86 Ų | 86 | 126.6 Ų | 126.6 | 53% | 0.528 | 60% | 0.596 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -95.6 | 129.4 | 169.3 | 4.5 | 0 | 0 | 0 | 0 | 108.6 | V442 | V442-T460 HydrophobicContact CG2-CG2 3.71Å |
| 461 | W | 35.6 | Very low | 34.3 | Very low | 127 Ų | 127 | 132.9 Ų | 132.9 | 48% | 0.481 | 61% | 0.61 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -127.7 | 136.6 | 173.5 | -59.6 | 94.6 | 0 | 0 | 0 | 108.8 | F404 T440 K459 | F404-W461 AromaticContact CE2-CD1 3.71Å; F404-W461 AromaticContact CE2-NE1 3.96Å; F404-W461 AromaticContact CZ-CD1 3.75Å; F404-W461 HydrophobicContact CZ-CG 4.2Å; T440-W461 WeakPolarHBondContact CG2-O 3.43Å; K459-W461 HydrophobicContact CD-CZ2 3.75Å |
| 462 | Y | 30.7 | Very low | 33.8 | Very low | 249 Ų | 249 | 126.9 Ų | 126.9 | 98% | 0.976 | 58% | 0.581 | S | S | * | * | trans | -85.8 | 0 | 179.5 | -67.9 | -80.4 | 0 | 0 | 0 | 111.3 |
Retrieved 462 of 462 residues in 732.7 ms
(Link to these results)