| 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 | 63.3 | Low | 89.2 | Confident | 138 Ų | 138 | 24.6 Ų | 24.6 | 68% | 0.68 | 14% | 0.143 | S | C | * | . | 0 | 127.4 | 0 | -69.4 | -164.4 | 177.4 | 0 | 0 | 108.3 | Y4 T20 | M1-Y4 WeakPolarHBondContact O-CE1 3.33Å; M1-Y4 PolarHBondContact O-OH 3.44Å; M1-T20 HydrophobicContact SD-CG2 3.98Å | |||
| 2 | P | 86.3 | Confident | 88.9 | Confident | 29 Ų | 29 | 40.4 Ų | 40.4 | 19% | 0.188 | 20% | 0.198 | C | C | . | . | trans | -88 | -32.6 | -174.8 | 28.4 | -33.1 | 0 | 0 | 0 | 115 | Y4 A66 D67 F70 N118 | P2-Y4 WeakPolarHBondContact O-CD2 3.43Å; P2-Y4 WeakPolarHBondContact O-CE2 3.39Å; P2-A66 CarbonylContact O-C 3.5Å; P2-A66 WeakPolarHBondContact O-CA 3.25Å; P2-A66 WeakPolarHBondContact O-CB 3.34Å; P2-D67 PolarHBondContact O-N 2.98Å; P2-F70 HydrophobicContact CB-CB 3.83Å; P2-F70 HydrophobicContact CB-CD1 4.34Å; P2-F70 HydrophobicContact CB-CD2 3.15Å; P2-F70 HydrophobicContact CB-CE2 3.76Å; P2-F70 HydrophobicContact CB-CG 3.5Å; P2-F70 VanDerWaalsContact CB-CG 3.5Å; P2-F70 HydrophobicContact CG-CD1 4.47Å; P2-F70 HydrophobicContact CG-CD2 3.08Å; P2-F70 HydrophobicContact CG-CE1 4.48Å; P2-F70 HydrophobicContact CG-CE2 3.09Å; P2-F70 HydrophobicContact CG-CG 3.84Å; P2-F70 HydrophobicContact CG-CZ 3.84Å; P2-N118 WeakPolarHBondContact CD-OD1 3.43Å; P2-N118 VanDerWaalsContact CG-OD1 3.28Å; P2-N118 WeakPolarHBondContact CG-OD1 3.18Å | ||
| 3 | I | 91.8 | Very high | 88.9 | Confident | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 119.1 | 171.3 | -50 | 170.7 | 0 | 0 | 0 | 108.4 | T20 C64 A66 F70 L78 M114 N118 | I3-T20 PolarHBondContact O-OG1 2.88Å; I3-C64 HydrophobicContact CG2-CB 4.15Å; I3-A66 HydrophobicContact CB-CB 4.44Å; I3-A66 HydrophobicContact CG1-CB 4.11Å; I3-F70 HydrophobicContact CD1-CD1 4.38Å; I3-F70 HydrophobicContact CD1-CE1 3.54Å; I3-F70 HydrophobicContact CD1-CZ 4.04Å; I3-F70 HydrophobicContact CG1-CD1 3.8Å; I3-F70 HydrophobicContact CG1-CE1 3.4Å; I3-F70 VanDerWaalsContact CG1-CE1 3.4Å; I3-F70 HydrophobicContact CG1-CZ 4.01Å; I3-L78 HydrophobicContact CD1-CD2 3.62Å; I3-L78 HydrophobicContact CG2-CD2 4.09Å; I3-M114 HydrophobicContact CG2-CE 4.07Å; I3-N118 WeakPolarHBondContact CA-OD1 3.22Å; I3-N118 WeakPolarHBondContact CB-OD1 3.48Å; I3-N118 WeakPolarHBondContact CG1-OD1 2.78Å; I3-N118 PolarHBondContact N-OD1 3.39Å; I3-N118 PolarHBondContact O-ND2 2.78Å |
| 4 | Y | 91.6 | Very high | 89.1 | Confident | 7 Ų | 7 | 36.5 Ų | 36.5 | 3% | 0.027 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | -35.1 | -172.6 | -58.4 | -63.9 | 0 | 0 | 0 | 113.5 | M1 P2 A19 T20 T21 Y50 I65 D67 M114 I158 R160 | M1-Y4 WeakPolarHBondContact O-CE1 3.33Å; M1-Y4 PolarHBondContact O-OH 3.44Å; P2-Y4 WeakPolarHBondContact O-CD2 3.43Å; P2-Y4 WeakPolarHBondContact O-CE2 3.39Å; Y4-A19 CarbonylContact O-C 3.48Å; Y4-A19 VanDerWaalsContact O-CA 3.31Å; Y4-A19 WeakPolarHBondContact O-CA 3.36Å; Y4-T20 WeakPolarHBondContact CA-OG1 3.07Å; Y4-T20 PolarHBondContact O-N 3.23Å; Y4-T20 PolarHBondContact O-OG1 2.87Å; Y4-T21 HydrophobicContact CD1-CG2 3.87Å; Y4-T21 HydrophobicContact CG-CG2 4.34Å; Y4-Y50 AromaticContact CD2-CD1 3.92Å; Y4-Y50 HydrophobicContact CD2-CD1 3.92Å; Y4-Y50 AromaticContact CD2-CE1 3.82Å; Y4-Y50 HydrophobicContact CD2-CE1 3.82Å; Y4-Y50 AromaticContact CE2-CD1 3.67Å; Y4-Y50 HydrophobicContact CE2-CD1 3.67Å; Y4-Y50 AromaticContact CE2-CE1 3.39Å; Y4-Y50 HydrophobicContact CE2-CE1 3.39Å; Y4-I65 PolarHBondContact N-O 3.48Å; Y4-D67 HydrophobicContact CE2-CB 4.15Å; Y4-M114 VanDerWaalsContact C-CE 3.46Å; Y4-I158 HydrophobicContact CD1-CD1 3.9Å; Y4-I158 HydrophobicContact CD2-CD1 3.49Å; Y4-I158 VanDerWaalsContact CD2-CD1 3.49Å; Y4-I158 HydrophobicContact CE1-CD1 4.4Å; Y4-I158 HydrophobicContact CE2-CD1 4.03Å; Y4-I158 HydrophobicContact CG-CD1 3.44Å; Y4-I158 VanDerWaalsContact CG-CD1 3.44Å; Y4-R160 VanDerWaalsContact CE1-CZ 3.47Å; Y4-R160 VanDerWaalsContact CZ-CZ 3.46Å; Y4-R160 PolarHBondContact OH-NH1 2.85Å; Y4-R160 PolarHBondContact OH-NH2 3.2Å |
| 5 | F | 93.2 | Very high | 89.4 | Confident | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 141.3 | -170.7 | -179.5 | -104.6 | 0 | 0 | 0 | 111.1 | V7 K17 C18 A19 F25 V29 C64 I65 | F5-V7 HydrophobicContact CD1-CB 4.38Å; F5-V7 HydrophobicContact CD1-CG1 4.39Å; F5-V7 HydrophobicContact CE1-CB 3.49Å; F5-V7 VanDerWaalsContact CE1-CB 3.49Å; F5-V7 HydrophobicContact CE1-CG1 3.64Å; F5-V7 HydrophobicContact CE1-CG2 4.3Å; F5-V7 HydrophobicContact CZ-CB 3.75Å; F5-V7 HydrophobicContact CZ-CG1 4.36Å; F5-V7 HydrophobicContact CZ-CG2 4.21Å; F5-K17 HydrophobicContact CE2-CB 3.78Å; F5-K17 HydrophobicContact CE2-CD 3.95Å; F5-K17 HydrophobicContact CE2-CG 4.1Å; F5-K17 HydrophobicContact CZ-CB 3.76Å; F5-K17 HydrophobicContact CZ-CD 4.02Å; F5-K17 HydrophobicContact CZ-CG 4.36Å; F5-C18 CarbonylContact C-O 3.58Å; F5-C18 VanDerWaalsContact CA-O 3.32Å; F5-C18 WeakPolarHBondContact CA-O 3.46Å; F5-C18 VanDerWaalsContact CD2-O 3.26Å; F5-C18 WeakPolarHBondContact CD2-O 3.24Å; F5-A19 HydrophobicContact CD2-CB 3.89Å; F5-F25 HydrophobicContact CB-CB 4.19Å; F5-F25 HydrophobicContact CB-CD1 3.39Å; F5-F25 HydrophobicContact CB-CD2 4.37Å; F5-F25 HydrophobicContact CB-CE1 3.76Å; F5-F25 HydrophobicContact CB-CG 3.73Å; F5-F25 HydrophobicContact CB-CZ 4.43Å; F5-F25 HydrophobicContact CD1-CB 3.77Å; F5-F25 HydrophobicContact CD1-CD1 4.37Å; F5-F25 HydrophobicContact CD1-CG 4.26Å; F5-F25 HydrophobicContact CD2-CB 3.67Å; F5-F25 HydrophobicContact CD2-CD1 4.34Å; F5-F25 HydrophobicContact CD2-CD2 4.06Å; F5-F25 AromaticContact CD2-CG 3.77Å; F5-F25 HydrophobicContact CD2-CG 3.77Å; F5-F25 HydrophobicContact CE1-CB 3.92Å; F5-F25 HydrophobicContact CE2-CB 3.85Å; F5-F25 HydrophobicContact CE2-CG 4.4Å; F5-F25 HydrophobicContact CG-CB 3.61Å; F5-F25 AromaticContact CG-CD1 3.82Å; F5-F25 HydrophobicContact CG-CD1 3.82Å; F5-F25 HydrophobicContact CG-CD2 4.36Å; F5-F25 AromaticContact CG-CG 3.67Å; F5-F25 HydrophobicContact CG-CG 3.67Å; F5-F25 HydrophobicContact CZ-CB 3.96Å; F5-V29 HydrophobicContact CD1-CG2 4.42Å; F5-V29 HydrophobicContact CE1-CG2 3.53Å; F5-V29 HydrophobicContact CZ-CG2 4.21Å; F5-C64 CarbonylContact O-C 3.51Å; F5-C64 WeakPolarHBondContact O-CA 3.45Å; F5-C64 WeakPolarHBondContact O-CB 3.4Å; F5-I65 HydrophobicContact CB-CB 4.21Å; F5-I65 HydrophobicContact CB-CD1 4.25Å; F5-I65 HydrophobicContact CB-CG1 4.39Å; F5-I65 HydrophobicContact CD1-CD1 3.76Å; F5-I65 HydrophobicContact CD1-CG1 4.19Å; F5-I65 HydrophobicContact CG-CD1 4.38Å; F5-I65 PolarHBondContact N-O 2.73Å; F5-I65 PolarHBondContact O-N 2.94Å |
| 6 | T | 95.3 | Very high | 89.6 | Confident | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 138.9 | 171 | -56.2 | 0 | 0 | 0 | 0 | 109.3 | K17 C18 M63 C64 L79 V82 L110 M114 | T6-K17 CarbonylContact O-C 3.57Å; T6-K17 VanDerWaalsContact O-CA 3.28Å; T6-K17 WeakPolarHBondContact O-CA 3.24Å; T6-C18 PolarHBondContact N-O 3.4Å; T6-C18 PolarHBondContact O-N 3.01Å; T6-M63 CarbonylContact C-O 3.52Å; T6-M63 WeakPolarHBondContact CA-O 3.45Å; T6-C64 HydrophobicContact CG2-CB 4.34Å; T6-L79 HydrophobicContact CG2-CD2 4.4Å; T6-V82 HydrophobicContact CG2-CG2 4.43Å; T6-L110 HydrophobicContact CG2-CD2 3.89Å; T6-M114 WeakPolarHBondContact OG1-CG 3.46Å; T6-M114 PolarHBondContact OG1-SD 3.47Å; T6-M114 VanDerWaalsContact OG1-SD 3.4Å |
| 7 | V | 94.8 | Very high | 89.9 | Confident | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 150.7 | -176.7 | 65.6 | 0 | 0 | 0 | 0 | 111.9 | F5 V9 I14 A16 K17 V29 M63 | F5-V7 HydrophobicContact CD1-CB 4.38Å; F5-V7 HydrophobicContact CD1-CG1 4.39Å; F5-V7 HydrophobicContact CE1-CB 3.49Å; F5-V7 VanDerWaalsContact CE1-CB 3.49Å; F5-V7 HydrophobicContact CE1-CG1 3.64Å; F5-V7 HydrophobicContact CE1-CG2 4.3Å; F5-V7 HydrophobicContact CZ-CB 3.75Å; F5-V7 HydrophobicContact CZ-CG1 4.36Å; F5-V7 HydrophobicContact CZ-CG2 4.21Å; V7-V9 HydrophobicContact CG1-CG2 4.23Å; V7-V9 HydrophobicContact CG2-CG2 3.74Å; V7-I14 HydrophobicContact CG2-CG1 4.22Å; V7-I14 HydrophobicContact CG2-CG2 3.77Å; V7-A16 WeakPolarHBondContact CA-O 3.48Å; V7-K17 HydrophobicContact CB-CB 4.19Å; V7-K17 HydrophobicContact CG2-CB 3.93Å; V7-V29 HydrophobicContact CG1-CG1 4.26Å; V7-V29 HydrophobicContact CG1-CG2 4.05Å; V7-M63 HydrophobicContact CG1-CB 3.89Å; V7-M63 HydrophobicContact CG1-CE 3.86Å; V7-M63 PolarHBondContact N-O 2.94Å; V7-M63 PolarHBondContact O-N 3.31Å |
| 8 | I | 95.2 | Very high | 90 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 124.2 | 172.2 | -49 | -179.5 | 0 | 0 | 0 | 107.3 | L15 A16 I60 L61 Y62 V82 F86 F106 L110 | I8-L15 HydrophobicContact CG2-CB 4.48Å; I8-L15 HydrophobicContact CG2-CD1 4.18Å; I8-L15 PolarHBondContact O-N 2.85Å; I8-A16 HydrophobicContact CD1-CB 4.5Å; I8-A16 PolarHBondContact N-O 2.96Å; I8-I60 HydrophobicContact CG2-CG2 3.52Å; I8-L61 WeakPolarHBondContact CA-O 3.45Å; I8-Y62 HydrophobicContact CB-CD1 4.41Å; I8-Y62 HydrophobicContact CD1-CD1 4.2Å; I8-Y62 HydrophobicContact CD1-CE1 4.12Å; I8-Y62 HydrophobicContact CG1-CD1 3.91Å; I8-Y62 HydrophobicContact CG1-CE1 4.24Å; I8-Y62 HydrophobicContact CG2-CD1 3.93Å; I8-Y62 HydrophobicContact CG2-CE1 3.74Å; I8-V82 HydrophobicContact CD1-CG1 3.78Å; I8-V82 HydrophobicContact CG1-CG1 4.09Å; I8-F86 HydrophobicContact CD1-CB 4.12Å; I8-F86 HydrophobicContact CD1-CD1 4.38Å; I8-F86 HydrophobicContact CD1-CD2 3.35Å; I8-F86 HydrophobicContact CD1-CE2 3.78Å; I8-F86 HydrophobicContact CD1-CG 3.7Å; I8-F86 HydrophobicContact CD1-CZ 4.44Å; I8-F86 HydrophobicContact CG2-CD1 4.18Å; I8-F86 HydrophobicContact CG2-CE1 3.92Å; I8-F86 HydrophobicContact CG2-CE2 4.39Å; I8-F86 HydrophobicContact CG2-CZ 4.05Å; I8-F106 HydrophobicContact CD1-CD1 3.61Å; I8-F106 HydrophobicContact CD1-CE1 3.51Å; I8-F106 HydrophobicContact CD1-CZ 4.47Å; I8-L110 HydrophobicContact CD1-CD2 4.37Å |
| 9 | V | 93 | Very high | 90.1 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 134.4 | -175.8 | -170.3 | 0 | 0 | 0 | 0 | 110 | V7 G11 A13 I14 V29 L33 I60 L61 | V7-V9 HydrophobicContact CG1-CG2 4.23Å; V7-V9 HydrophobicContact CG2-CG2 3.74Å; V9-G11 WeakPolarHBondContact CG1-O 3.34Å; V9-A13 CarbonylContact C-O 3.55Å; V9-A13 WeakPolarHBondContact CA-O 3.32Å; V9-A13 WeakPolarHBondContact CG1-O 3.46Å; V9-I14 HydrophobicContact CG2-CG1 4.22Å; V9-V29 HydrophobicContact CG2-CG1 3.96Å; V9-L33 HydrophobicContact CB-CD1 4.48Å; V9-L33 HydrophobicContact CB-CD2 4.35Å; V9-L33 HydrophobicContact CG1-CD1 3.74Å; V9-L33 HydrophobicContact CG1-CD2 4.08Å; V9-L33 HydrophobicContact CG2-CD1 4.36Å; V9-I60 CarbonylContact O-C 3.53Å; V9-I60 WeakPolarHBondContact O-CA 3.27Å; V9-L61 HydrophobicContact CB-CB 4.4Å; V9-L61 PolarHBondContact N-O 2.89Å; V9-L61 PolarHBondContact O-N 3.3Å |
| 10 | R | 91 | Very high | 89.9 | Confident | 50 Ų | 50 | 29.8 Ų | 29.8 | 19% | 0.189 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 112.2 | 166.8 | -175.6 | -159.4 | 73.4 | -151.8 | -2 | 109.9 | R12 A13 L15 N59 V94 Q95 A97 | R10-R12 PolarHBondContact O-N 2.95Å; R10-A13 PolarHBondContact N-O 3.02Å; R10-A13 PolarHBondContact O-N 3.47Å; R10-L15 HydrophobicContact CB-CD1 3.89Å; R10-L15 HydrophobicContact CB-CD2 4.35Å; R10-L15 HydrophobicContact CB-CG 4.19Å; R10-N59 WeakPolarHBondContact CA-O 3.35Å; R10-V94 WeakPolarHBondContact CD-O 3.22Å; R10-V94 PolarHBondContact NH1-O 2.92Å; R10-Q95 VanDerWaalsContact NH1-C 3.28Å; R10-Q95 PolarHBondContact NH1-O 3.36Å; R10-A97 VanDerWaalsContact CZ-O 3.28Å; R10-A97 PolarHBondContact NH1-O 3.02Å; R10-A97 PolarHBondContact NH2-O 3.05Å |
| 11 | G | 86 | Confident | 89.6 | Confident | 47 Ų | 47 | 28.9 Ų | 28.9 | 49% | 0.485 | 15% | 0.147 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 60.5 | -105.9 | -170.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | V9 N59 | V9-G11 WeakPolarHBondContact CG1-O 3.34Å; G11-N59 PolarHBondContact N-O 2.85Å |
| 12 | R | 85.1 | Confident | 90.4 | Very high | 214 Ų | 214 | 23.6 Ų | 23.6 | 81% | 0.808 | 13% | 0.126 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -108.9 | -5.6 | 172.4 | -66.1 | -176.1 | 175.8 | 152.6 | -3.4 | 114 | R10 I14 | R10-R12 PolarHBondContact O-N 2.95Å; R12-I14 PolarHBondContact O-N 2.91Å |
| 13 | A | 89.6 | Confident | 90.2 | Very high | 16 Ų | 16 | 24 Ų | 24 | 13% | 0.132 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 113.8 | -177.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | V9 R10 L15 P99 | V9-A13 CarbonylContact C-O 3.55Å; V9-A13 WeakPolarHBondContact CA-O 3.32Å; V9-A13 WeakPolarHBondContact CG1-O 3.46Å; R10-A13 PolarHBondContact N-O 3.02Å; R10-A13 PolarHBondContact O-N 3.47Å; A13-L15 PolarHBondContact O-N 3.48Å; A13-P99 HydrophobicContact CB-CG 4.07Å |
| 14 | I | 91.7 | Very high | 89.8 | Confident | 10 Ų | 10 | 25.9 Ų | 25.9 | 5% | 0.051 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.1 | 124.2 | 169.1 | -65.3 | 172 | 0 | 0 | 0 | 108.2 | V7 V9 R12 K17 T26 P99 Y100 | V7-I14 HydrophobicContact CG2-CG1 4.22Å; V7-I14 HydrophobicContact CG2-CG2 3.77Å; V9-I14 HydrophobicContact CG2-CG1 4.22Å; R12-I14 PolarHBondContact O-N 2.91Å; I14-K17 HydrophobicContact CG2-CB 4.26Å; I14-K17 HydrophobicContact CG2-CD 4.39Å; I14-T26 HydrophobicContact CD1-CG2 3.67Å; I14-P99 CarbonylContact O-C 3.52Å; I14-P99 WeakPolarHBondContact O-CA 3.16Å; I14-Y100 HydrophobicContact CB-CE1 4.09Å; I14-Y100 HydrophobicContact CG2-CD1 4.14Å; I14-Y100 HydrophobicContact CG2-CE1 3.74Å; I14-Y100 PolarHBondContact O-N 3.36Å |
| 15 | L | 93 | Very high | 89.4 | Confident | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | -42.6 | 180 | -62.1 | 176.4 | 0 | 0 | 0 | 111.9 | I8 R10 A13 F86 V94 A97 Y100 M102 N103 | I8-L15 HydrophobicContact CG2-CB 4.48Å; I8-L15 HydrophobicContact CG2-CD1 4.18Å; I8-L15 PolarHBondContact O-N 2.85Å; R10-L15 HydrophobicContact CB-CD1 3.89Å; R10-L15 HydrophobicContact CB-CD2 4.35Å; R10-L15 HydrophobicContact CB-CG 4.19Å; A13-L15 PolarHBondContact O-N 3.48Å; L15-F86 HydrophobicContact CB-CZ 4.24Å; L15-F86 HydrophobicContact CD1-CE1 4.01Å; L15-F86 HydrophobicContact CD1-CZ 3.75Å; L15-V94 HydrophobicContact CD1-CG1 3.36Å; L15-A97 HydrophobicContact CD2-CB 3.92Å; L15-Y100 CarbonylContact O-C 3.59Å; L15-M102 CarbonylContact O-C 3.51Å; L15-M102 PolarHBondContact O-N 3.05Å; L15-N103 PolarHBondContact O-N 2.92Å; L15-N103 VanDerWaalsContact O-N 3.16Å |
| 16 | A | 93.3 | Very high | 88.8 | Confident | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.6 | 145.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | V7 I8 N103 F106 L110 | V7-A16 WeakPolarHBondContact CA-O 3.48Å; I8-A16 HydrophobicContact CD1-CB 4.5Å; I8-A16 PolarHBondContact N-O 2.96Å; A16-N103 WeakPolarHBondContact CA-OD1 3.27Å; A16-F106 HydrophobicContact CB-CB 4.03Å; A16-F106 HydrophobicContact CB-CD1 4.37Å; A16-L110 HydrophobicContact CB-CD1 4.25Å |
| 17 | K | 94.2 | Very high | 88 | Confident | 39 Ų | 39 | 32.1 Ų | 32.1 | 17% | 0.17 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 157.1 | 175 | 73.9 | -174.5 | -178.5 | 98.1 | 0 | 111.2 | F5 T6 V7 I14 Y100 N103 S107 | F5-K17 HydrophobicContact CE2-CB 3.78Å; F5-K17 HydrophobicContact CE2-CD 3.95Å; F5-K17 HydrophobicContact CE2-CG 4.1Å; F5-K17 HydrophobicContact CZ-CB 3.76Å; F5-K17 HydrophobicContact CZ-CD 4.02Å; F5-K17 HydrophobicContact CZ-CG 4.36Å; T6-K17 CarbonylContact O-C 3.57Å; T6-K17 VanDerWaalsContact O-CA 3.28Å; T6-K17 WeakPolarHBondContact O-CA 3.24Å; V7-K17 HydrophobicContact CB-CB 4.19Å; V7-K17 HydrophobicContact CG2-CB 3.93Å; I14-K17 HydrophobicContact CG2-CB 4.26Å; I14-K17 HydrophobicContact CG2-CD 4.39Å; K17-Y100 HydrophobicContact CD-CE1 4.21Å; K17-N103 PolarHBondContact N-OD1 2.98Å; K17-N103 PolarHBondContact O-OD1 3.25Å; K17-S107 WeakPolarHBondContact O-CB 3.3Å |
| 18 | C | 92.7 | Very high | 87.4 | Confident | 3 Ų | 3 | 32.1 Ų | 32.1 | 2% | 0.02 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.7 | 135.5 | 171.3 | -177 | 0 | 0 | 0 | 0 | 109.4 | F5 T6 L110 M114 | F5-C18 CarbonylContact C-O 3.58Å; F5-C18 VanDerWaalsContact CA-O 3.32Å; F5-C18 WeakPolarHBondContact CA-O 3.46Å; F5-C18 VanDerWaalsContact CD2-O 3.26Å; F5-C18 WeakPolarHBondContact CD2-O 3.24Å; T6-C18 PolarHBondContact N-O 3.4Å; T6-C18 PolarHBondContact O-N 3.01Å; C18-L110 HydrophobicContact CB-CB 3.53Å; C18-L110 HydrophobicContact CB-CD1 4.1Å; C18-L110 HydrophobicContact CB-CG 4.47Å; C18-M114 HydrophobicContact CB-SD 3.9Å |
| 19 | A | 91 | Very high | 86.8 | Confident | 8 Ų | 8 | 32.1 Ų | 32.1 | 7% | 0.066 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 146.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | Y4 F5 F25 | Y4-A19 CarbonylContact O-C 3.48Å; Y4-A19 VanDerWaalsContact O-CA 3.31Å; Y4-A19 WeakPolarHBondContact O-CA 3.36Å; F5-A19 HydrophobicContact CD2-CB 3.89Å; A19-F25 HydrophobicContact CB-CD2 4.29Å; A19-F25 HydrophobicContact CB-CE2 4.19Å |
| 20 | T | 86.4 | Confident | 86.2 | Confident | 35 Ų | 35 | 37.7 Ų | 37.7 | 22% | 0.215 | 20% | 0.203 | C | C | . | . | S | Bend | trans | -98.4 | -5.2 | 173.2 | 58.7 | 0 | 0 | 0 | 0 | 113 | M1 I3 Y4 M114 | M1-T20 HydrophobicContact SD-CG2 3.98Å; I3-T20 PolarHBondContact O-OG1 2.88Å; Y4-T20 WeakPolarHBondContact CA-OG1 3.07Å; Y4-T20 PolarHBondContact O-N 3.23Å; Y4-T20 PolarHBondContact O-OG1 2.87Å; T20-M114 HydrophobicContact CG2-CE 3.68Å |
| 21 | T | 82.9 | Confident | 85.5 | Confident | 10 Ų | 10 | 37.1 Ų | 37.1 | 6% | 0.061 | 20% | 0.202 | C | C | . | . | S | Bend | trans | -156.9 | 153.4 | -169 | -156.6 | 0 | 0 | 0 | 0 | 106.7 | Y4 F25 I158 D159 | Y4-T21 HydrophobicContact CD1-CG2 3.87Å; Y4-T21 HydrophobicContact CG-CG2 4.34Å; T21-F25 HydrophobicContact CG2-CE2 4.17Å; T21-F25 HydrophobicContact CG2-CZ 3.55Å; T21-F25 WeakPolarHBondContact O-CE2 3.49Å; T21-I158 HydrophobicContact CG2-CD1 4.35Å; T21-I158 HydrophobicContact CG2-CG2 3.43Å; T21-I158 VanDerWaalsContact CG2-CG2 3.43Å; T21-D159 PolarHBondContact OG1-O 3.32Å |
| 22 | A | 81.3 | Confident | 85.2 | Confident | 28 Ų | 28 | 35 Ų | 35 | 23% | 0.231 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 148.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | D159 S163 | A22-D159 HydrophobicContact CB-CB 4.12Å; A22-D159 PolarHBondContact O-N 2.83Å; A22-S163 VanDerWaalsContact CB-OG 3.29Å; A22-S163 WeakPolarHBondContact CB-OG 3.28Å; A22-S163 PolarHBondContact N-OG 2.9Å; A22-S163 VanDerWaalsContact N-OG 3.12Å |
| 23 | G | 81.5 | Confident | 84.9 | Confident | 37 Ų | 37 | 26.1 Ų | 26.1 | 38% | 0.381 | 15% | 0.148 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 167.5 | 169.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | F25 L157 | G23-F25 WeakPolarHBondContact O-CD2 3.37Å; G23-F25 PolarHBondContact O-N 3.4Å; G23-L157 WeakPolarHBondContact CA-O 3.39Å |
| 24 | N | 82.8 | Confident | 84.1 | Confident | 39 Ų | 39 | 31.5 Ų | 31.5 | 21% | 0.209 | 17% | 0.17 | C | C | . | . | trans | -84.9 | 44.5 | -176.6 | 67.8 | -28.9 | 0 | 0 | 0 | 113.3 | T26 E27 V28 E155 F156 L157 | N24-T26 VanDerWaalsContact C-N 3.29Å; N24-T26 PolarHBondContact O-N 3.36Å; N24-E27 WeakPolarHBondContact CA-OE2 3.45Å; N24-E27 WeakPolarHBondContact CB-OE2 3.34Å; N24-E27 VanDerWaalsContact O-OE2 3.08Å; N24-V28 WeakPolarHBondContact O-CG2 3.26Å; N24-V28 PolarHBondContact O-N 2.97Å; N24-E155 PolarHBondContact ND2-O 3Å; N24-F156 WeakPolarHBondContact OD1-CA 3.34Å; N24-F156 WeakPolarHBondContact OD1-CD2 3.5Å; N24-L157 PolarHBondContact N-O 3.42Å; N24-L157 PolarHBondContact OD1-N 3.39Å; N24-L157 PolarHBondContact OD1-O 3.26Å | ||
| 25 | F | 84.7 | Confident | 83.1 | Confident | 6 Ų | 6 | 34.5 Ų | 34.5 | 3% | 0.026 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -63.3 | -35.6 | -174.5 | -53.8 | -81 | 0 | 0 | 0 | 112.7 | F5 A19 T21 G23 V28 V29 I65 F156 I158 | F5-F25 HydrophobicContact CB-CB 4.19Å; F5-F25 HydrophobicContact CB-CD1 3.39Å; F5-F25 HydrophobicContact CB-CD2 4.37Å; F5-F25 HydrophobicContact CB-CE1 3.76Å; F5-F25 HydrophobicContact CB-CG 3.73Å; F5-F25 HydrophobicContact CB-CZ 4.43Å; F5-F25 HydrophobicContact CD1-CB 3.77Å; F5-F25 HydrophobicContact CD1-CD1 4.37Å; F5-F25 HydrophobicContact CD1-CG 4.26Å; F5-F25 HydrophobicContact CD2-CB 3.67Å; F5-F25 HydrophobicContact CD2-CD1 4.34Å; F5-F25 HydrophobicContact CD2-CD2 4.06Å; F5-F25 AromaticContact CD2-CG 3.77Å; F5-F25 HydrophobicContact CD2-CG 3.77Å; F5-F25 HydrophobicContact CE1-CB 3.92Å; F5-F25 HydrophobicContact CE2-CB 3.85Å; F5-F25 HydrophobicContact CE2-CG 4.4Å; F5-F25 HydrophobicContact CG-CB 3.61Å; F5-F25 AromaticContact CG-CD1 3.82Å; F5-F25 HydrophobicContact CG-CD1 3.82Å; F5-F25 HydrophobicContact CG-CD2 4.36Å; F5-F25 AromaticContact CG-CG 3.67Å; F5-F25 HydrophobicContact CG-CG 3.67Å; F5-F25 HydrophobicContact CZ-CB 3.96Å; A19-F25 HydrophobicContact CB-CD2 4.29Å; A19-F25 HydrophobicContact CB-CE2 4.19Å; T21-F25 HydrophobicContact CG2-CE2 4.17Å; T21-F25 HydrophobicContact CG2-CZ 3.55Å; T21-F25 WeakPolarHBondContact O-CE2 3.49Å; G23-F25 WeakPolarHBondContact O-CD2 3.37Å; G23-F25 PolarHBondContact O-N 3.4Å; F25-V28 PolarHBondContact O-N 3.49Å; F25-V29 WeakPolarHBondContact O-CG2 3.35Å; F25-V29 PolarHBondContact O-N 2.88Å; F25-I65 HydrophobicContact CB-CD1 4.33Å; F25-I65 HydrophobicContact CD1-CD1 3.79Å; F25-F156 AromaticContact CD1-CE2 3.43Å; F25-F156 HydrophobicContact CD1-CE2 3.43Å; F25-F156 VanDerWaalsContact CD1-CE2 3.43Å; F25-F156 AromaticContact CD1-CZ 3.57Å; F25-F156 HydrophobicContact CD1-CZ 3.57Å; F25-F156 AromaticContact CE1-CE2 3.67Å; F25-F156 HydrophobicContact CE1-CE2 3.67Å; F25-F156 AromaticContact CE1-CZ 3.38Å; F25-F156 HydrophobicContact CE1-CZ 3.38Å; F25-F156 HydrophobicContact CG-CE2 4.29Å; F25-F156 HydrophobicContact CZ-CZ 4.4Å; F25-I158 HydrophobicContact CE1-CD1 3.83Å; F25-I158 HydrophobicContact CE1-CG1 3.96Å; F25-I158 HydrophobicContact CZ-CD1 3.98Å; F25-I158 HydrophobicContact CZ-CG1 3.87Å |
| 26 | T | 78.9 | Confident | 81.9 | Confident | 30 Ų | 30 | 35.1 Ų | 35.1 | 18% | 0.184 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -66.4 | -43.8 | -174 | -48.2 | 0 | 0 | 0 | 0 | 110.9 | I14 N24 V28 V29 E30 | I14-T26 HydrophobicContact CD1-CG2 3.67Å; N24-T26 VanDerWaalsContact C-N 3.29Å; N24-T26 PolarHBondContact O-N 3.36Å; T26-V28 VanDerWaalsContact C-N 3.29Å; T26-V28 PolarHBondContact O-N 3.46Å; T26-V29 WeakPolarHBondContact O-CB 3.33Å; T26-V29 PolarHBondContact O-N 3.37Å; T26-E30 PolarHBondContact O-N 3.31Å |
| 27 | E | 80.2 | Confident | 80.4 | Confident | 102 Ų | 102 | 37.5 Ų | 37.5 | 48% | 0.477 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -61.8 | -41.1 | 177 | -63.1 | 76.6 | -172.4 | 0 | 0 | 110.5 | N24 V29 E30 Q31 | N24-E27 WeakPolarHBondContact CA-OE2 3.45Å; N24-E27 WeakPolarHBondContact CB-OE2 3.34Å; N24-E27 VanDerWaalsContact O-OE2 3.08Å; E27-V29 VanDerWaalsContact C-N 3.32Å; E27-V29 PolarHBondContact O-N 3Å; E27-E30 PolarHBondContact O-N 3.37Å; E27-Q31 PolarHBondContact O-N 3.32Å |
| 28 | V | 80.2 | Confident | 78.9 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -66.3 | -37.2 | 177.3 | -175.2 | 0 | 0 | 0 | 0 | 111.6 | N24 F25 T26 E30 Q31 V32 F52 L154 F156 | N24-V28 WeakPolarHBondContact O-CG2 3.26Å; N24-V28 PolarHBondContact O-N 2.97Å; F25-V28 PolarHBondContact O-N 3.49Å; T26-V28 VanDerWaalsContact C-N 3.29Å; T26-V28 PolarHBondContact O-N 3.46Å; V28-E30 VanDerWaalsContact C-N 3.34Å; V28-E30 PolarHBondContact O-N 2.96Å; V28-Q31 PolarHBondContact O-N 2.97Å; V28-V32 HydrophobicContact CG1-CG2 4.23Å; V28-V32 VanDerWaalsContact O-CG2 3.32Å; V28-V32 WeakPolarHBondContact O-CG2 3.28Å; V28-V32 PolarHBondContact O-N 3.34Å; V28-F52 HydrophobicContact CB-CE1 4.32Å; V28-F52 HydrophobicContact CG1-CD1 4.04Å; V28-F52 HydrophobicContact CG1-CE1 3.21Å; V28-F52 HydrophobicContact CG1-CZ 3.72Å; V28-L154 HydrophobicContact CB-CD1 4.22Å; V28-L154 HydrophobicContact CG1-CD1 4.32Å; V28-L154 HydrophobicContact CG1-CD2 3.87Å; V28-L154 HydrophobicContact CG2-CD1 3.56Å; V28-L154 HydrophobicContact CG2-CG 4.45Å; V28-F156 HydrophobicContact CG2-CD2 3.54Å; V28-F156 HydrophobicContact CG2-CE2 4.18Å; V28-F156 HydrophobicContact CG2-CG 4.43Å |
| 29 | V | 82.9 | Confident | 77.5 | Confident | 1 Ų | 1 | 42 Ų | 42 | 1% | 0.006 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -60 | -46 | 177.2 | 176.5 | 0 | 0 | 0 | 0 | 110.8 | F5 V7 V9 F25 T26 E27 Q31 V32 L33 M63 | F5-V29 HydrophobicContact CD1-CG2 4.42Å; F5-V29 HydrophobicContact CE1-CG2 3.53Å; F5-V29 HydrophobicContact CZ-CG2 4.21Å; V7-V29 HydrophobicContact CG1-CG1 4.26Å; V7-V29 HydrophobicContact CG1-CG2 4.05Å; V9-V29 HydrophobicContact CG2-CG1 3.96Å; F25-V29 WeakPolarHBondContact O-CG2 3.35Å; F25-V29 PolarHBondContact O-N 2.88Å; T26-V29 WeakPolarHBondContact O-CB 3.33Å; T26-V29 PolarHBondContact O-N 3.37Å; E27-V29 VanDerWaalsContact C-N 3.32Å; E27-V29 PolarHBondContact O-N 3Å; V29-Q31 VanDerWaalsContact C-N 3.3Å; V29-Q31 PolarHBondContact O-N 3.49Å; V29-V32 PolarHBondContact O-N 2.93Å; V29-L33 HydrophobicContact CG1-CD1 3.81Å; V29-L33 HydrophobicContact CG1-CG 4.26Å; V29-L33 WeakPolarHBondContact O-CB 3.46Å; V29-L33 VanDerWaalsContact O-CG 3.23Å; V29-L33 WeakPolarHBondContact O-CG 3.37Å; V29-L33 PolarHBondContact O-N 2.91Å; V29-M63 HydrophobicContact CB-CE 3.94Å; V29-M63 HydrophobicContact CG1-CE 4.06Å; V29-M63 HydrophobicContact CG2-CE 3.29Å |
| 30 | E | 81.4 | Confident | 76.4 | Confident | 117 Ų | 117 | 49.2 Ų | 49.2 | 55% | 0.547 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -59.4 | -42.8 | 179.6 | -68.8 | -177.3 | 171.1 | 0 | 0 | 111.6 | T26 E27 V28 L33 E34 | T26-E30 PolarHBondContact O-N 3.31Å; E27-E30 PolarHBondContact O-N 3.37Å; V28-E30 VanDerWaalsContact C-N 3.34Å; V28-E30 PolarHBondContact O-N 2.96Å; E30-L33 WeakPolarHBondContact O-CB 3.2Å; E30-L33 PolarHBondContact O-N 3.42Å; E30-E34 PolarHBondContact O-N 2.9Å |
| 31 | Q | 76 | Confident | 76 | Confident | 38 Ų | 38 | 50.6 Ų | 50.6 | 18% | 0.178 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -68.6 | -38.7 | 177.5 | -64.3 | -176 | 5.6 | 0 | 0 | 113.2 | E27 V28 V29 L33 E34 K35 | E27-Q31 PolarHBondContact O-N 3.32Å; V28-Q31 PolarHBondContact O-N 2.97Å; V29-Q31 VanDerWaalsContact C-N 3.3Å; V29-Q31 PolarHBondContact O-N 3.49Å; Q31-L33 VanDerWaalsContact C-N 3.32Å; Q31-E34 PolarHBondContact O-N 3.49Å; Q31-K35 PolarHBondContact O-N 3.12Å |
| 32 | V | 79 | Confident | 76.2 | Confident | 1 Ų | 1 | 50.6 Ų | 50.6 | 1% | 0.006 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -65.6 | -37.7 | 175 | 173.3 | 0 | 0 | 0 | 0 | 110.8 | V28 V29 E34 K35 T36 Y45 F52 M63 I144 | V28-V32 HydrophobicContact CG1-CG2 4.23Å; V28-V32 VanDerWaalsContact O-CG2 3.32Å; V28-V32 WeakPolarHBondContact O-CG2 3.28Å; V28-V32 PolarHBondContact O-N 3.34Å; V29-V32 PolarHBondContact O-N 2.93Å; V32-E34 VanDerWaalsContact C-N 3.34Å; V32-E34 PolarHBondContact O-N 3.24Å; V32-K35 PolarHBondContact O-N 3.45Å; V32-T36 WeakPolarHBondContact CG1-OG1 3.44Å; V32-T36 WeakPolarHBondContact O-CB 3.25Å; V32-T36 PolarHBondContact O-N 2.86Å; V32-T36 PolarHBondContact O-OG1 3.31Å; V32-Y45 HydrophobicContact CG1-CD2 3.99Å; V32-Y45 HydrophobicContact CG1-CE2 3.97Å; V32-F52 HydrophobicContact CG2-CD1 4.22Å; V32-M63 HydrophobicContact CB-SD 4.26Å; V32-M63 HydrophobicContact CG1-SD 3.83Å; V32-I144 HydrophobicContact CG2-CD1 3.74Å |
| 33 | L | 78.4 | Confident | 76.6 | Confident | 29 Ų | 29 | 49.4 Ų | 49.4 | 15% | 0.152 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -62.4 | -38.2 | 176.6 | -75.7 | 165.5 | 0 | 0 | 0 | 112.6 | V9 V29 E30 Q31 K35 L61 | V9-L33 HydrophobicContact CB-CD1 4.48Å; V9-L33 HydrophobicContact CB-CD2 4.35Å; V9-L33 HydrophobicContact CG1-CD1 3.74Å; V9-L33 HydrophobicContact CG1-CD2 4.08Å; V9-L33 HydrophobicContact CG2-CD1 4.36Å; V29-L33 HydrophobicContact CG1-CD1 3.81Å; V29-L33 HydrophobicContact CG1-CG 4.26Å; V29-L33 WeakPolarHBondContact O-CB 3.46Å; V29-L33 VanDerWaalsContact O-CG 3.23Å; V29-L33 WeakPolarHBondContact O-CG 3.37Å; V29-L33 PolarHBondContact O-N 2.91Å; E30-L33 WeakPolarHBondContact O-CB 3.2Å; E30-L33 PolarHBondContact O-N 3.42Å; Q31-L33 VanDerWaalsContact C-N 3.32Å; L33-K35 VanDerWaalsContact C-N 3.26Å; L33-K35 PolarHBondContact O-N 3.43Å; L33-L61 HydrophobicContact CD2-CB 4.46Å; L33-L61 HydrophobicContact CD2-CD2 3.39Å; L33-L61 HydrophobicContact CG-CD2 4.28Å |
| 34 | E | 74.2 | Confident | 77 | Confident | 128 Ų | 128 | 47.9 Ų | 47.9 | 60% | 0.598 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -64.1 | -32.6 | 176.7 | -69.1 | -166.6 | 162.4 | 0 | 0 | 112.9 | E30 Q31 V32 R150 | E30-E34 PolarHBondContact O-N 2.9Å; Q31-E34 PolarHBondContact O-N 3.49Å; V32-E34 VanDerWaalsContact C-N 3.34Å; V32-E34 PolarHBondContact O-N 3.24Å; E34-R150 IonicContact OE2-NH1 3.81Å |
| 35 | K | 70 | Confident | 77.3 | Confident | 73 Ų | 73 | 46.4 Ų | 46.4 | 32% | 0.317 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -95.9 | -21.2 | -174.9 | -67.5 | -171.2 | 174.1 | -162.8 | 0 | 114.3 | Q31 V32 L33 P37 I144 A146 L147 | Q31-K35 PolarHBondContact O-N 3.12Å; V32-K35 PolarHBondContact O-N 3.45Å; L33-K35 VanDerWaalsContact C-N 3.26Å; L33-K35 PolarHBondContact O-N 3.43Å; K35-P37 WeakPolarHBondContact O-CD 3.35Å; K35-I144 HydrophobicContact CD-CG1 4.26Å; K35-A146 PolarHBondContact NZ-O 2.93Å; K35-L147 VanDerWaalsContact NZ-CD2 3.28Å; K35-L147 VanDerWaalsContact NZ-CG 3.29Å |
| 36 | T | 67.3 | Low | 77.5 | Confident | 13 Ų | 13 | 50.5 Ų | 50.5 | 8% | 0.08 | 26% | 0.263 | C | S | . | . | trans | -75.7 | 107 | -175.5 | -62.2 | 0 | 0 | 0 | 0 | 110 | V32 V43 Y45 | V32-T36 WeakPolarHBondContact CG1-OG1 3.44Å; V32-T36 WeakPolarHBondContact O-CB 3.25Å; V32-T36 PolarHBondContact O-N 2.86Å; V32-T36 PolarHBondContact O-OG1 3.31Å; T36-V43 HydrophobicContact CG2-CG1 4.26Å; T36-Y45 WeakPolarHBondContact CA-OH 3.35Å; T36-Y45 WeakPolarHBondContact OG1-CE2 3.46Å; T36-Y45 PolarHBondContact OG1-OH 2.91Å | ||
| 37 | P | 62.1 | Low | 77.7 | Confident | 50 Ų | 50 | 49.8 Ų | 49.8 | 33% | 0.325 | 26% | 0.257 | S | S | . | . | trans | -66.5 | 167.6 | 176.8 | 0.6 | 15.7 | 0 | 0 | 0 | 109.7 | K35 L39 | K35-P37 WeakPolarHBondContact O-CD 3.35Å; P37-L39 HydrophobicContact CB-CD1 3.37Å; P37-L39 HydrophobicContact CG-CD1 3.39Å; P37-L39 PolarHBondContact O-N 3.06Å | ||
| 38 | S | 64 | Low | 77.9 | Confident | 114 Ų | 114 | 49.2 Ų | 49.2 | 80% | 0.797 | 26% | 0.257 | S | S | * | . | trans | -66.7 | 77.8 | 169 | 53.6 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 39 | L | 62.6 | Low | 78.2 | Confident | 23 Ų | 23 | 50.9 Ų | 50.9 | 12% | 0.12 | 27% | 0.274 | C | S | . | . | trans | -92.4 | 131.1 | 175.5 | -91.2 | 57.8 | 0 | 0 | 0 | 108.9 | P37 N41 V43 M140 | P37-L39 HydrophobicContact CB-CD1 3.37Å; P37-L39 HydrophobicContact CG-CD1 3.39Å; P37-L39 PolarHBondContact O-N 3.06Å; L39-N41 VanDerWaalsContact C-N 3.31Å; L39-V43 HydrophobicContact CD2-CB 4.22Å; L39-V43 HydrophobicContact CD2-CG2 4.5Å; L39-M140 HydrophobicContact CD2-CE 3.17Å; L39-M140 HydrophobicContact CD2-SD 3.85Å; L39-M140 HydrophobicContact CG-CE 3.56Å | ||
| 40 | D | 67.1 | Low | 78.4 | Confident | 160 Ų | 160 | 52.4 Ų | 52.4 | 86% | 0.856 | 28% | 0.28 | S | S | * | . | S | Bend | trans | -76.4 | -23.7 | 175.3 | -144.4 | 30.6 | 0 | 0 | 0 | 111.7 | ||
| 41 | N | 79.2 | Confident | 78.9 | Confident | 63 Ų | 63 | 47.2 Ų | 47.2 | 34% | 0.337 | 26% | 0.257 | S | S | . | . | S | Bend | trans | -98.8 | 156 | 175.3 | -66.9 | -20.4 | 0 | 0 | 0 | 111.3 | L39 | L39-N41 VanDerWaalsContact C-N 3.31Š|
| 42 | G | 86.8 | Confident | 79.6 | Confident | 11 Ų | 11 | 45.4 Ų | 45.4 | 11% | 0.113 | 25% | 0.248 | C | C | . | . | trans | -60.4 | 153.7 | 174 | 0 | 0 | 0 | 0 | 0 | 113 | C54 V139 M140 | G42-C54 CarbonylContact C-O 3.5Å; G42-C54 WeakPolarHBondContact CA-O 3.11Å; G42-V139 VanDerWaalsContact O-CA 3.26Å; G42-V139 WeakPolarHBondContact O-CA 3.48Å; G42-V139 WeakPolarHBondContact O-CG1 3.48Å; G42-M140 PolarHBondContact O-N 3.43Å; G42-M140 VanDerWaalsContact O-N 3.13Å | ||
| 43 | V | 89.8 | Confident | 80.3 | Confident | 3 Ų | 3 | 45.5 Ų | 45.5 | 2% | 0.018 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 143.8 | 177.3 | 62.7 | 0 | 0 | 0 | 0 | 110.5 | T36 L39 Y45 C54 M140 R142 | T36-V43 HydrophobicContact CG2-CG1 4.26Å; L39-V43 HydrophobicContact CD2-CB 4.22Å; L39-V43 HydrophobicContact CD2-CG2 4.5Å; V43-Y45 HydrophobicContact CB-CE2 4.36Å; V43-Y45 HydrophobicContact CG1-CD2 4.37Å; V43-Y45 HydrophobicContact CG1-CE2 3.55Å; V43-Y45 HydrophobicContact CG2-CD2 4.37Å; V43-Y45 HydrophobicContact CG2-CE1 4.1Å; V43-Y45 HydrophobicContact CG2-CE2 3.83Å; V43-C54 HydrophobicContact CG1-CB 3.65Å; V43-C54 PolarHBondContact N-O 2.87Å; V43-C54 PolarHBondContact O-N 3.29Å; V43-M140 CarbonylContact C-O 3.52Å; V43-M140 WeakPolarHBondContact CA-O 3.29Å; V43-M140 HydrophobicContact CG2-CB 4.3Å; V43-R142 HydrophobicContact CG2-CG 4.43Å |
| 44 | T | 90.6 | Very high | 80.9 | Confident | 4 Ų | 4 | 44.2 Ų | 44.2 | 3% | 0.025 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 121.8 | 170.9 | -60.2 | 0 | 0 | 0 | 0 | 109 | R46 F52 H53 M140 I141 R142 | T44-R46 HydrophobicContact CG2-CG 4.48Å; T44-F52 CarbonylContact C-O 3.54Å; T44-F52 VanDerWaalsContact CA-O 3.25Å; T44-F52 WeakPolarHBondContact CA-O 3.31Å; T44-H53 VanDerWaalsContact CG2-CE1 3.44Å; T44-H53 WeakPolarHBondContact CG2-CE1 3.28Å; T44-H53 WeakPolarHBondContact CG2-ND1 3.39Å; T44-H53 PolarHBondContact OG1-ND1 3.09Å; T44-M140 PolarHBondContact N-O 3.49Å; T44-I141 CarbonylContact O-C 3.54Å; T44-I141 WeakPolarHBondContact O-CA 3.3Å; T44-R142 PolarHBondContact O-N 2.95Å |
| 45 | Y | 88.8 | Confident | 81.7 | Confident | 9 Ų | 9 | 39.3 Ų | 39.3 | 4% | 0.035 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 144.1 | 167.4 | -56.2 | -84.2 | 0 | 0 | 0 | 110.3 | V32 T36 V43 S51 F52 R142 | V32-Y45 HydrophobicContact CG1-CD2 3.99Å; V32-Y45 HydrophobicContact CG1-CE2 3.97Å; T36-Y45 WeakPolarHBondContact CA-OH 3.35Å; T36-Y45 WeakPolarHBondContact OG1-CE2 3.46Å; T36-Y45 PolarHBondContact OG1-OH 2.91Å; V43-Y45 HydrophobicContact CB-CE2 4.36Å; V43-Y45 HydrophobicContact CG1-CD2 4.37Å; V43-Y45 HydrophobicContact CG1-CE2 3.55Å; V43-Y45 HydrophobicContact CG2-CD2 4.37Å; V43-Y45 HydrophobicContact CG2-CE1 4.1Å; V43-Y45 HydrophobicContact CG2-CE2 3.83Å; Y45-S51 CarbonylContact O-C 3.57Å; Y45-S51 WeakPolarHBondContact O-CA 3.37Å; Y45-F52 HydrophobicContact CD2-CB 4.49Å; Y45-F52 PolarHBondContact N-O 3.48Å; Y45-F52 WeakPolarHBondContact O-CD2 3.38Å; Y45-F52 PolarHBondContact O-N 3.34Å; Y45-R142 CarbonylContact C-O 3.51Å; Y45-R142 WeakPolarHBondContact CA-O 3.2Å; Y45-R142 HydrophobicContact CD1-CB 3.67Å; Y45-R142 HydrophobicContact CE1-CB 3.75Å; Y45-R142 HydrophobicContact CE1-CG 4.34Å |
| 46 | R | 87.5 | Confident | 82.6 | Confident | 92 Ų | 92 | 38.7 Ų | 38.7 | 35% | 0.347 | 22% | 0.216 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 136.9 | 172.5 | -63.7 | -172 | -69 | 160.3 | -4.5 | 110.7 | T44 Y50 E68 R142 I144 | T44-R46 HydrophobicContact CG2-CG 4.48Å; R46-Y50 WeakPolarHBondContact CA-O 3.1Å; R46-E68 VanDerWaalsContact CD-OE1 3.23Å; R46-E68 WeakPolarHBondContact CD-OE1 3.22Å; R46-E68 IonicContact CZ-OE1 2.88Å; R46-E68 IonicContact NE-OE1 3.1Å; R46-E68 IonicContact NH1-OE1 3.9Å; R46-E68 PolarHBondContact NH1-OE1 3.32Å; R46-R142 PolarHBondContact N-O 2.92Å; R46-I144 PolarHBondContact O-N 3.07Å |
| 47 | H | 84.6 | Confident | 83.6 | Confident | 15 Ų | 15 | 40.6 Ų | 40.6 | 7% | 0.069 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157 | 130.7 | 178.9 | -165.1 | 47 | 0 | 0 | 0 | 111.3 | G49 Y50 F52 I144 D145 L154 | H47-G49 VanDerWaalsContact C-N 3.26Å; H47-G49 PolarHBondContact O-N 3.28Å; H47-G49 VanDerWaalsContact O-N 3.09Å; H47-Y50 PolarHBondContact N-O 3.42Å; H47-Y50 PolarHBondContact O-N 3.48Å; H47-F52 HydrophobicContact CB-CE2 3.73Å; H47-F52 HydrophobicContact CB-CZ 4.48Å; H47-I144 HydrophobicContact CB-CB 4.47Å; H47-I144 HydrophobicContact CB-CG2 3.36Å; H47-I144 WeakPolarHBondContact ND1-CG2 3.4Å; H47-D145 IonicContact ND1-OD1 3.77Å; H47-L154 PolarHBondContact NE2-O 2.95Å |
| 48 | N | 83.4 | Confident | 84.6 | Confident | 89 Ų | 89 | 43.1 Ų | 43.1 | 48% | 0.476 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 47.8 | 39.5 | 171.1 | -66.8 | -13 | 0 | 0 | 0 | 115.3 | Y50 | N48-Y50 VanDerWaalsContact C-N 3.32Å; N48-Y50 WeakPolarHBondContact O-CD2 3.46Å; N48-Y50 WeakPolarHBondContact O-CE2 3.16Å; N48-Y50 PolarHBondContact O-N 2.84Å |
| 49 | G | 86 | Confident | 85.7 | Confident | 35 Ų | 35 | 40.3 Ų | 40.3 | 36% | 0.361 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 78.9 | 10.5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115 | H47 E68 | H47-G49 VanDerWaalsContact C-N 3.26Å; H47-G49 PolarHBondContact O-N 3.28Å; H47-G49 VanDerWaalsContact O-N 3.09Å; G49-E68 VanDerWaalsContact O-CB 3.26Å; G49-E68 WeakPolarHBondContact O-CB 3.45Å; G49-E68 PolarHBondContact O-N 3.5Å |
| 50 | Y | 89 | Confident | 87.1 | Confident | 34 Ų | 34 | 39.9 Ų | 39.9 | 13% | 0.133 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 150.2 | 175.7 | -61 | -85.7 | 0 | 0 | 0 | 111.3 | Y4 R46 H47 N48 A66 F156 I158 R160 | Y4-Y50 AromaticContact CD2-CD1 3.92Å; Y4-Y50 HydrophobicContact CD2-CD1 3.92Å; Y4-Y50 AromaticContact CD2-CE1 3.82Å; Y4-Y50 HydrophobicContact CD2-CE1 3.82Å; Y4-Y50 AromaticContact CE2-CD1 3.67Å; Y4-Y50 HydrophobicContact CE2-CD1 3.67Å; Y4-Y50 AromaticContact CE2-CE1 3.39Å; Y4-Y50 HydrophobicContact CE2-CE1 3.39Å; R46-Y50 WeakPolarHBondContact CA-O 3.1Å; H47-Y50 PolarHBondContact N-O 3.42Å; H47-Y50 PolarHBondContact O-N 3.48Å; N48-Y50 VanDerWaalsContact C-N 3.32Å; N48-Y50 WeakPolarHBondContact O-CD2 3.46Å; N48-Y50 WeakPolarHBondContact O-CE2 3.16Å; N48-Y50 PolarHBondContact O-N 2.84Å; Y50-A66 CarbonylContact C-O 3.58Å; Y50-A66 WeakPolarHBondContact CA-O 3.35Å; Y50-F156 HydrophobicContact CD1-CD1 4.19Å; Y50-F156 AromaticContact CD1-CE1 3.56Å; Y50-F156 HydrophobicContact CD1-CE1 3.56Å; Y50-F156 AromaticContact CD2-CD1 3.24Å; Y50-F156 HydrophobicContact CD2-CD1 3.24Å; Y50-F156 AromaticContact CD2-CE1 3.52Å; Y50-F156 HydrophobicContact CD2-CE1 3.52Å; Y50-F156 HydrophobicContact CD2-CG 4.47Å; Y50-F156 HydrophobicContact CE1-CD1 4.31Å; Y50-F156 AromaticContact CE1-CE1 3.71Å; Y50-F156 HydrophobicContact CE1-CE1 3.71Å; Y50-F156 AromaticContact CE2-CD1 3.39Å; Y50-F156 HydrophobicContact CE2-CD1 3.39Å; Y50-F156 AromaticContact CE2-CE1 3.66Å; Y50-F156 HydrophobicContact CE2-CE1 3.66Å; Y50-F156 AromaticContact CG-CD1 3.64Å; Y50-F156 HydrophobicContact CG-CD1 3.64Å; Y50-F156 AromaticContact CG-CE1 3.43Å; Y50-F156 HydrophobicContact CG-CE1 3.43Å; Y50-F156 VanDerWaalsContact CG-CE1 3.43Å; Y50-F156 AromaticContact CZ-CD1 3.93Å; Y50-F156 AromaticContact CZ-CE1 3.74Å; Y50-I158 HydrophobicContact CD1-CD1 4.24Å; Y50-I158 HydrophobicContact CE1-CD1 3.48Å; Y50-I158 VanDerWaalsContact CE1-CD1 3.48Å; Y50-I158 HydrophobicContact CE1-CG1 4.41Å; Y50-R160 PolarHBondContact OH-NH2 2.86Å |
| 51 | S | 90.8 | Very high | 88.3 | Confident | 7 Ų | 7 | 32.3 Ų | 32.3 | 5% | 0.049 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 134.9 | 175 | -71.1 | 0 | 0 | 0 | 0 | 111.5 | Y45 H53 I65 A66 | Y45-S51 CarbonylContact O-C 3.57Å; Y45-S51 WeakPolarHBondContact O-CA 3.37Å; S51-H53 WeakPolarHBondContact CB-NE2 3.5Å; S51-I65 WeakPolarHBondContact O-CA 3.38Å; S51-A66 PolarHBondContact N-O 2.96Å; S51-A66 PolarHBondContact O-N 3.03Å |
| 52 | F | 91.5 | Very high | 89 | Confident | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 106 | 178.9 | -55.2 | -102.9 | 0 | 0 | 0 | 107.6 | V28 V32 T44 Y45 H47 M63 C64 I65 | V28-F52 HydrophobicContact CB-CE1 4.32Å; V28-F52 HydrophobicContact CG1-CD1 4.04Å; V28-F52 HydrophobicContact CG1-CE1 3.21Å; V28-F52 HydrophobicContact CG1-CZ 3.72Å; V32-F52 HydrophobicContact CG2-CD1 4.22Å; T44-F52 CarbonylContact C-O 3.54Å; T44-F52 VanDerWaalsContact CA-O 3.25Å; T44-F52 WeakPolarHBondContact CA-O 3.31Å; Y45-F52 HydrophobicContact CD2-CB 4.49Å; Y45-F52 PolarHBondContact N-O 3.48Å; Y45-F52 WeakPolarHBondContact O-CD2 3.38Å; Y45-F52 PolarHBondContact O-N 3.34Å; H47-F52 HydrophobicContact CB-CE2 3.73Å; H47-F52 HydrophobicContact CB-CZ 4.48Å; F52-M63 HydrophobicContact CB-SD 4.44Å; F52-M63 HydrophobicContact CD1-SD 4.44Å; F52-C64 CarbonylContact C-O 3.53Å; F52-C64 WeakPolarHBondContact CA-O 3.42Å; F52-I65 HydrophobicContact CD1-CB 4.45Å; F52-I65 HydrophobicContact CD1-CD1 3.8Å; F52-I65 HydrophobicContact CD1-CG1 3.54Å; F52-I65 HydrophobicContact CD1-CG2 4.27Å; F52-I65 HydrophobicContact CE1-CB 4.42Å; F52-I65 HydrophobicContact CE1-CD1 3.51Å; F52-I65 HydrophobicContact CE1-CG1 3.68Å; F52-I65 HydrophobicContact CE1-CG2 3.9Å; F52-I65 HydrophobicContact CG-CG1 4.48Å; F52-I65 HydrophobicContact CZ-CG2 4.2Å |
| 53 | H | 92.7 | Very high | 89.3 | Confident | 3 Ų | 3 | 28.9 Ų | 28.9 | 1% | 0.014 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 130.1 | -179.8 | -53.3 | -74.5 | 0 | 0 | 0 | 109.1 | T44 S51 M63 C64 C75 F76 L79 | T44-H53 VanDerWaalsContact CG2-CE1 3.44Å; T44-H53 WeakPolarHBondContact CG2-CE1 3.28Å; T44-H53 WeakPolarHBondContact CG2-ND1 3.39Å; T44-H53 PolarHBondContact OG1-ND1 3.09Å; S51-H53 WeakPolarHBondContact CB-NE2 3.5Å; H53-M63 CarbonylContact O-C 3.59Å; H53-M63 WeakPolarHBondContact O-CA 3.23Å; H53-M63 WeakPolarHBondContact O-CG 3.45Å; H53-C64 PolarHBondContact N-O 3.31Å; H53-C64 PolarHBondContact O-N 3.45Å; H53-C75 HydrophobicContact CB-CB 4.12Å; H53-C75 WeakPolarHBondContact CD2-CB 3.27Å; H53-C75 PolarHBondContact CD2-SG 3.38Å; H53-C75 PolarHBondContact NE2-SG 3.27Å; H53-F76 HydrophobicContact CB-CE2 4.01Å; H53-F76 HydrophobicContact CB-CZ 4.03Å; H53-F76 AromaticContact ND1-CE2 3.62Å; H53-L79 HydrophobicContact CB-CD1 3.95Å; H53-L79 WeakPolarHBondContact O-CD1 3.32Å |
| 54 | C | 91.6 | Very high | 89.5 | Confident | 2 Ų | 2 | 28.7 Ų | 28.7 | 1% | 0.014 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 137.4 | -176.4 | -58.6 | 0 | 0 | 0 | 0 | 110.4 | G42 V43 L61 Y62 M63 | G42-C54 CarbonylContact C-O 3.5Å; G42-C54 WeakPolarHBondContact CA-O 3.11Å; V43-C54 HydrophobicContact CG1-CB 3.65Å; V43-C54 PolarHBondContact N-O 2.87Å; V43-C54 PolarHBondContact O-N 3.29Å; C54-L61 HydrophobicContact CB-CD1 3.94Å; C54-Y62 CarbonylContact C-O 3.52Å; C54-Y62 VanDerWaalsContact CA-O 3.31Å; C54-Y62 WeakPolarHBondContact CA-O 3.28Å; C54-M63 WeakPolarHBondContact SG-CG 3.49Å; C54-M63 VanDerWaalsContact SG-SD 3.65Å |
| 55 | I | 91.2 | Very high | 89.7 | Confident | 25 Ų | 25 | 28.5 Ų | 28.5 | 13% | 0.128 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 147.6 | 161.6 | 62.5 | 176.9 | 0 | 0 | 0 | 108.6 | Y62 F76 L79 Q83 | I55-Y62 HydrophobicContact CG1-CD2 4.13Å; I55-Y62 HydrophobicContact CG1-CG 4.31Å; I55-Y62 PolarHBondContact N-O 3.17Å; I55-Y62 PolarHBondContact O-N 2.83Å; I55-F76 HydrophobicContact CG2-CD1 3.55Å; I55-F76 HydrophobicContact CG2-CE1 3.53Å; I55-L79 HydrophobicContact CD1-CB 3.59Å; I55-L79 HydrophobicContact CG1-CB 3.93Å; I55-L79 HydrophobicContact CG1-CD1 4.45Å; I55-L79 HydrophobicContact CG2-CD1 4.49Å; I55-Q83 HydrophobicContact CD1-CB 4.28Å |
| 56 | R | 88.8 | Confident | 89.9 | Confident | 61 Ų | 61 | 28.1 Ų | 28.1 | 23% | 0.23 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 136.6 | 179.7 | -175 | 179.3 | -67.2 | -80.7 | 4.3 | 109 | I60 L61 | R56-I60 WeakPolarHBondContact CA-O 3.4Å; R56-L61 HydrophobicContact CB-CD1 4.37Å |
| 57 | D | 87.5 | Confident | 90.1 | Very high | 53 Ų | 53 | 26.3 Ų | 26.3 | 28% | 0.283 | 15% | 0.15 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 114.2 | 168.6 | -175.5 | 6.2 | 0 | 0 | 0 | 107.9 | N59 I60 Y62 Q83 | D57-N59 PolarHBondContact O-N 2.82Å; D57-I60 PolarHBondContact N-O 2.96Å; D57-I60 PolarHBondContact O-N 2.66Å; D57-Y62 HydrophobicContact CB-CE2 4.09Å; D57-Q83 VanDerWaalsContact CB-NE2 3.31Å; D57-Q83 VanDerWaalsContact CG-NE2 3.34Å; D57-Q83 PolarHBondContact OD2-NE2 3.33Å |
| 58 | S | 84.2 | Confident | 90.3 | Very high | 102 Ų | 102 | 29.3 Ų | 29.3 | 71% | 0.713 | 16% | 0.164 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53.3 | -114.6 | -176.5 | -53.8 | 0 | 0 | 0 | 0 | 111.4 | ||
| 59 | N | 86.6 | Confident | 90.7 | Very high | 56 Ų | 56 | 29.4 Ų | 29.4 | 30% | 0.299 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.7 | 6.6 | 178.5 | 66.3 | -19.2 | 0 | 0 | 0 | 114.4 | R10 G11 D57 Q95 | R10-N59 WeakPolarHBondContact CA-O 3.35Å; G11-N59 PolarHBondContact N-O 2.85Å; D57-N59 PolarHBondContact O-N 2.82Å; N59-Q95 PolarHBondContact ND2-OE1 3.36Å; N59-Q95 PolarHBondContact OD1-NE2 2.78Å |
| 60 | I | 91.4 | Very high | 91 | Very high | 13 Ų | 13 | 29.2 Ų | 29.2 | 7% | 0.067 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 125.9 | -178.5 | -53.6 | 170.3 | 0 | 0 | 0 | 109.4 | I8 V9 R56 D57 Y62 F86 V94 | I8-I60 HydrophobicContact CG2-CG2 3.52Å; V9-I60 CarbonylContact O-C 3.53Å; V9-I60 WeakPolarHBondContact O-CA 3.27Å; R56-I60 WeakPolarHBondContact CA-O 3.4Å; D57-I60 PolarHBondContact N-O 2.96Å; D57-I60 PolarHBondContact O-N 2.66Å; I60-Y62 HydrophobicContact CB-CE2 4.06Å; I60-Y62 HydrophobicContact CG2-CD2 4.24Å; I60-Y62 HydrophobicContact CG2-CE1 4.06Å; I60-Y62 HydrophobicContact CG2-CE2 3.62Å; I60-F86 HydrophobicContact CD1-CE1 4.27Å; I60-V94 HydrophobicContact CD1-CB 4.21Å; I60-V94 HydrophobicContact CD1-CG1 3.6Å; I60-V94 HydrophobicContact CD1-CG2 4.48Å; I60-V94 HydrophobicContact CG1-CG1 4.1Å |
| 61 | L | 92.2 | Very high | 91 | Very high | 2 Ų | 2 | 31 Ų | 31 | 1% | 0.01 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 129.6 | 171.1 | -176.7 | 74.8 | 0 | 0 | 0 | 109 | I8 V9 L33 C54 R56 | I8-L61 WeakPolarHBondContact CA-O 3.45Å; V9-L61 HydrophobicContact CB-CB 4.4Å; V9-L61 PolarHBondContact N-O 2.89Å; V9-L61 PolarHBondContact O-N 3.3Å; L33-L61 HydrophobicContact CD2-CB 4.46Å; L33-L61 HydrophobicContact CD2-CD2 3.39Å; L33-L61 HydrophobicContact CG-CD2 4.28Å; C54-L61 HydrophobicContact CB-CD1 3.94Å; R56-L61 HydrophobicContact CB-CD1 4.37Å |
| 62 | Y | 94.2 | Very high | 91 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 125 | 169.2 | -53.6 | -94.1 | 0 | 0 | 0 | 107.6 | I8 C54 I55 D57 I60 V82 Q83 F86 T87 | I8-Y62 HydrophobicContact CB-CD1 4.41Å; I8-Y62 HydrophobicContact CD1-CD1 4.2Å; I8-Y62 HydrophobicContact CD1-CE1 4.12Å; I8-Y62 HydrophobicContact CG1-CD1 3.91Å; I8-Y62 HydrophobicContact CG1-CE1 4.24Å; I8-Y62 HydrophobicContact CG2-CD1 3.93Å; I8-Y62 HydrophobicContact CG2-CE1 3.74Å; C54-Y62 CarbonylContact C-O 3.52Å; C54-Y62 VanDerWaalsContact CA-O 3.31Å; C54-Y62 WeakPolarHBondContact CA-O 3.28Å; I55-Y62 HydrophobicContact CG1-CD2 4.13Å; I55-Y62 HydrophobicContact CG1-CG 4.31Å; I55-Y62 PolarHBondContact N-O 3.17Å; I55-Y62 PolarHBondContact O-N 2.83Å; D57-Y62 HydrophobicContact CB-CE2 4.09Å; I60-Y62 HydrophobicContact CB-CE2 4.06Å; I60-Y62 HydrophobicContact CG2-CD2 4.24Å; I60-Y62 HydrophobicContact CG2-CE1 4.06Å; I60-Y62 HydrophobicContact CG2-CE2 3.62Å; Y62-V82 HydrophobicContact CD1-CG1 3.74Å; Y62-V82 HydrophobicContact CE1-CG1 4.26Å; Y62-Q83 HydrophobicContact CD1-CB 4.41Å; Y62-Q83 HydrophobicContact CD2-CB 4.25Å; Y62-Q83 HydrophobicContact CD2-CG 4.34Å; Y62-Q83 HydrophobicContact CE1-CB 4.16Å; Y62-Q83 HydrophobicContact CE2-CB 4.02Å; Y62-Q83 HydrophobicContact CE2-CG 3.75Å; Y62-Q83 HydrophobicContact CG-CB 4.44Å; Y62-F86 HydrophobicContact CE1-CB 4.05Å; Y62-F86 HydrophobicContact CE1-CD1 4.06Å; Y62-F86 HydrophobicContact CE1-CG 4.23Å; Y62-T87 PolarHBondContact OH-OG1 2.99Å |
| 63 | M | 94 | Very high | 90.9 | Very high | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.005 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 142.5 | -177.5 | -178.1 | 179.7 | 78.2 | 0 | 0 | 111.5 | T6 V7 V29 V32 F52 H53 C54 I65 | T6-M63 CarbonylContact C-O 3.52Å; T6-M63 WeakPolarHBondContact CA-O 3.45Å; V7-M63 HydrophobicContact CG1-CB 3.89Å; V7-M63 HydrophobicContact CG1-CE 3.86Å; V7-M63 PolarHBondContact N-O 2.94Å; V7-M63 PolarHBondContact O-N 3.31Å; V29-M63 HydrophobicContact CB-CE 3.94Å; V29-M63 HydrophobicContact CG1-CE 4.06Å; V29-M63 HydrophobicContact CG2-CE 3.29Å; V32-M63 HydrophobicContact CB-SD 4.26Å; V32-M63 HydrophobicContact CG1-SD 3.83Å; F52-M63 HydrophobicContact CB-SD 4.44Å; F52-M63 HydrophobicContact CD1-SD 4.44Å; H53-M63 CarbonylContact O-C 3.59Å; H53-M63 WeakPolarHBondContact O-CA 3.23Å; H53-M63 WeakPolarHBondContact O-CG 3.45Å; C54-M63 WeakPolarHBondContact SG-CG 3.49Å; C54-M63 VanDerWaalsContact SG-SD 3.65Å; M63-I65 HydrophobicContact CE-CD1 4.29Å; M63-I65 HydrophobicContact CE-CG1 4.36Å |
| 64 | C | 94.2 | Very high | 90.8 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 153.9 | 166.2 | 70.2 | 0 | 0 | 0 | 0 | 111.8 | I3 F5 T6 F52 H53 L78 L79 | I3-C64 HydrophobicContact CG2-CB 4.15Å; F5-C64 CarbonylContact O-C 3.51Å; F5-C64 WeakPolarHBondContact O-CA 3.45Å; F5-C64 WeakPolarHBondContact O-CB 3.4Å; T6-C64 HydrophobicContact CG2-CB 4.34Å; F52-C64 CarbonylContact C-O 3.53Å; F52-C64 WeakPolarHBondContact CA-O 3.42Å; H53-C64 PolarHBondContact N-O 3.31Å; H53-C64 PolarHBondContact O-N 3.45Å; C64-L78 HydrophobicContact CB-CD2 4.25Å; C64-L79 HydrophobicContact CB-CD2 4.05Å |
| 65 | I | 92.8 | Very high | 90.9 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 125.5 | 177.8 | -54 | 174 | 0 | 0 | 0 | 107.6 | Y4 F5 F25 S51 F52 M63 F156 | Y4-I65 PolarHBondContact N-O 3.48Å; F5-I65 HydrophobicContact CB-CB 4.21Å; F5-I65 HydrophobicContact CB-CD1 4.25Å; F5-I65 HydrophobicContact CB-CG1 4.39Å; F5-I65 HydrophobicContact CD1-CD1 3.76Å; F5-I65 HydrophobicContact CD1-CG1 4.19Å; F5-I65 HydrophobicContact CG-CD1 4.38Å; F5-I65 PolarHBondContact N-O 2.73Å; F5-I65 PolarHBondContact O-N 2.94Å; F25-I65 HydrophobicContact CB-CD1 4.33Å; F25-I65 HydrophobicContact CD1-CD1 3.79Å; S51-I65 WeakPolarHBondContact O-CA 3.38Å; F52-I65 HydrophobicContact CD1-CB 4.45Å; F52-I65 HydrophobicContact CD1-CD1 3.8Å; F52-I65 HydrophobicContact CD1-CG1 3.54Å; F52-I65 HydrophobicContact CD1-CG2 4.27Å; F52-I65 HydrophobicContact CE1-CB 4.42Å; F52-I65 HydrophobicContact CE1-CD1 3.51Å; F52-I65 HydrophobicContact CE1-CG1 3.68Å; F52-I65 HydrophobicContact CE1-CG2 3.9Å; F52-I65 HydrophobicContact CG-CG1 4.48Å; F52-I65 HydrophobicContact CZ-CG2 4.2Å; M63-I65 HydrophobicContact CE-CD1 4.29Å; M63-I65 HydrophobicContact CE-CG1 4.36Å; I65-F156 HydrophobicContact CD1-CE2 4.41Å; I65-F156 HydrophobicContact CD1-CZ 4.5Å; I65-F156 HydrophobicContact CG2-CE1 4.08Å; I65-F156 HydrophobicContact CG2-CZ 3.69Å |
| 66 | A | 93 | Very high | 91 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 165.8 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | P2 I3 Y50 S51 F70 | P2-A66 CarbonylContact O-C 3.5Å; P2-A66 WeakPolarHBondContact O-CA 3.25Å; P2-A66 WeakPolarHBondContact O-CB 3.34Å; I3-A66 HydrophobicContact CB-CB 4.44Å; I3-A66 HydrophobicContact CG1-CB 4.11Å; Y50-A66 CarbonylContact C-O 3.58Å; Y50-A66 WeakPolarHBondContact CA-O 3.35Å; S51-A66 PolarHBondContact N-O 2.96Å; S51-A66 PolarHBondContact O-N 3.03Å; A66-F70 HydrophobicContact CB-CB 4.24Å; A66-F70 HydrophobicContact CB-CD1 4.05Å |
| 67 | D | 92 | Very high | 91.1 | Very high | 54 Ų | 54 | 32.5 Ų | 32.5 | 29% | 0.289 | 19% | 0.189 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -56.6 | 139.6 | 166.4 | -166 | -75 | 0 | 0 | 0 | 110 | P2 Y4 A69 F70 | P2-D67 PolarHBondContact O-N 2.98Å; Y4-D67 HydrophobicContact CE2-CB 4.15Å; D67-A69 PolarHBondContact O-N 3.07Å; D67-A69 WeakPolarHBondContact OD1-CB 3.18Å; D67-A69 PolarHBondContact OD1-N 2.73Å; D67-F70 HydrophobicContact CB-CB 4.38Å; D67-F70 VanDerWaalsContact O-CB 3.27Å; D67-F70 WeakPolarHBondContact O-CB 3.05Å; D67-F70 PolarHBondContact O-N 2.81Å |
| 68 | E | 90.1 | Very high | 91.4 | Very high | 79 Ų | 79 | 30 Ų | 30 | 37% | 0.369 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -27.9 | 179.8 | -177.3 | 174.5 | -178.3 | 0 | 0 | 113 | R46 G49 F70 | R46-E68 VanDerWaalsContact CD-OE1 3.23Å; R46-E68 WeakPolarHBondContact CD-OE1 3.22Å; R46-E68 IonicContact CZ-OE1 2.88Å; R46-E68 IonicContact NE-OE1 3.1Å; R46-E68 IonicContact NH1-OE1 3.9Å; R46-E68 PolarHBondContact NH1-OE1 3.32Å; G49-E68 VanDerWaalsContact O-CB 3.26Å; G49-E68 WeakPolarHBondContact O-CB 3.45Å; G49-E68 PolarHBondContact O-N 3.5Å; E68-F70 VanDerWaalsContact C-N 3.26Å; E68-F70 PolarHBondContact O-N 3.11Å |
| 69 | A | 90.7 | Very high | 91.9 | Very high | 90 Ų | 90 | 25.1 Ų | 25.1 | 74% | 0.744 | 14% | 0.142 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77.9 | -9.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | D67 | D67-A69 PolarHBondContact O-N 3.07Å; D67-A69 WeakPolarHBondContact OD1-CB 3.18Å; D67-A69 PolarHBondContact OD1-N 2.73Å |
| 70 | F | 91.8 | Very high | 92.2 | Very high | 32 Ų | 32 | 24 Ų | 24 | 14% | 0.14 | 14% | 0.139 | C | C | . | . | S | Bend | trans | -74 | 139.9 | -176.4 | -172.8 | -112.1 | 0 | 0 | 0 | 112 | P2 I3 A66 D67 E68 R72 C75 Y117 | P2-F70 HydrophobicContact CB-CB 3.83Å; P2-F70 HydrophobicContact CB-CD1 4.34Å; P2-F70 HydrophobicContact CB-CD2 3.15Å; P2-F70 HydrophobicContact CB-CE2 3.76Å; P2-F70 HydrophobicContact CB-CG 3.5Å; P2-F70 VanDerWaalsContact CB-CG 3.5Å; P2-F70 HydrophobicContact CG-CD1 4.47Å; P2-F70 HydrophobicContact CG-CD2 3.08Å; P2-F70 HydrophobicContact CG-CE1 4.48Å; P2-F70 HydrophobicContact CG-CE2 3.09Å; P2-F70 HydrophobicContact CG-CG 3.84Å; P2-F70 HydrophobicContact CG-CZ 3.84Å; I3-F70 HydrophobicContact CD1-CD1 4.38Å; I3-F70 HydrophobicContact CD1-CE1 3.54Å; I3-F70 HydrophobicContact CD1-CZ 4.04Å; I3-F70 HydrophobicContact CG1-CD1 3.8Å; I3-F70 HydrophobicContact CG1-CE1 3.4Å; I3-F70 VanDerWaalsContact CG1-CE1 3.4Å; I3-F70 HydrophobicContact CG1-CZ 4.01Å; A66-F70 HydrophobicContact CB-CB 4.24Å; A66-F70 HydrophobicContact CB-CD1 4.05Å; D67-F70 HydrophobicContact CB-CB 4.38Å; D67-F70 VanDerWaalsContact O-CB 3.27Å; D67-F70 WeakPolarHBondContact O-CB 3.05Å; D67-F70 PolarHBondContact O-N 2.81Å; E68-F70 VanDerWaalsContact C-N 3.26Å; E68-F70 PolarHBondContact O-N 3.11Å; F70-R72 PolarHBondContact O-N 2.85Å; F70-C75 WeakPolarHBondContact CD1-SG 3.33Å; F70-Y117 WeakPolarHBondContact CZ-O 3.3Å |
| 71 | P | 90.4 | Very high | 92.3 | Very high | 70 Ų | 70 | 24.6 Ų | 24.6 | 46% | 0.455 | 14% | 0.142 | S | C | . | . | trans | -57.9 | 116.3 | -177.9 | -28.1 | 37.1 | 0 | 0 | 0 | 112.8 | L73 S74 C75 | P71-L73 PolarHBondContact O-N 2.79Å; P71-S74 WeakPolarHBondContact O-CB 3.33Å; P71-S74 PolarHBondContact O-N 3.02Å; P71-C75 PolarHBondContact O-N 3.4Å | ||
| 72 | R | 90.2 | Very high | 92.5 | Very high | 56 Ų | 56 | 24.5 Ų | 24.5 | 21% | 0.211 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -55 | -36.2 | 177.3 | 179.2 | 168.9 | 124.7 | -166.4 | -3 | 112.8 | F70 S74 C75 F76 L136 V139 I141 | F70-R72 PolarHBondContact O-N 2.85Å; R72-S74 VanDerWaalsContact C-N 3.32Å; R72-S74 PolarHBondContact O-N 3.05Å; R72-C75 WeakPolarHBondContact O-CB 3.4Å; R72-C75 PolarHBondContact O-N 2.73Å; R72-C75 VanDerWaalsContact O-N 3.14Å; R72-F76 HydrophobicContact CG-CD2 3.49Å; R72-F76 VanDerWaalsContact CG-CD2 3.49Å; R72-F76 HydrophobicContact CG-CE2 3.47Å; R72-F76 VanDerWaalsContact CG-CE2 3.47Å; R72-F76 WeakPolarHBondContact O-CD2 3.12Å; R72-F76 PolarHBondContact O-N 3.13Å; R72-L136 HydrophobicContact CB-CD1 4.3Å; R72-L136 HydrophobicContact CG-CD1 3.91Å; R72-L136 PolarHBondContact NH2-O 3.09Å; R72-V139 VanDerWaalsContact NH2-CB 3.31Å; R72-V139 PolarHBondContact NH2-O 2.85Å; R72-I141 VanDerWaalsContact NH1-CD1 3.25Å; R72-I141 VanDerWaalsContact NH1-CG1 3.28Å |
| 73 | L | 88.5 | Confident | 92.5 | Very high | 35 Ų | 35 | 27 Ų | 27 | 18% | 0.183 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -57.2 | -46.1 | 176.7 | -175.3 | 62.9 | 0 | 0 | 0 | 111.4 | P71 C75 F76 N77 P124 I129 V133 L136 | P71-L73 PolarHBondContact O-N 2.79Å; L73-C75 VanDerWaalsContact C-N 3.29Å; L73-C75 PolarHBondContact O-N 3.21Å; L73-F76 PolarHBondContact O-N 3.16Å; L73-N77 WeakPolarHBondContact CD1-OD1 3.35Å; L73-N77 WeakPolarHBondContact O-CB 3.27Å; L73-N77 PolarHBondContact O-N 3Å; L73-N77 PolarHBondContact O-OD1 2.73Å; L73-P124 HydrophobicContact CD2-CB 4.4Å; L73-P124 HydrophobicContact CD2-CG 4Å; L73-P124 HydrophobicContact CG-CG 4.22Å; L73-I129 HydrophobicContact CD2-CD1 4.12Å; L73-I129 HydrophobicContact CD2-CG1 3.91Å; L73-V133 HydrophobicContact CD1-CB 4.17Å; L73-V133 HydrophobicContact CD1-CG1 3.86Å; L73-L136 HydrophobicContact CB-CD1 4.03Å; L73-L136 HydrophobicContact CD1-CD1 4.1Å; L73-L136 HydrophobicContact CD1-CG 4.36Å |
| 74 | S | 91.1 | Very high | 92.4 | Very high | 4 Ų | 4 | 33 Ų | 33 | 3% | 0.028 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -60.3 | -38.6 | 176.1 | -56.9 | 0 | 0 | 0 | 0 | 112.3 | P71 R72 L78 Y117 | P71-S74 WeakPolarHBondContact O-CB 3.33Å; P71-S74 PolarHBondContact O-N 3.02Å; R72-S74 VanDerWaalsContact C-N 3.32Å; R72-S74 PolarHBondContact O-N 3.05Å; S74-L78 WeakPolarHBondContact O-CB 3.47Å; S74-L78 PolarHBondContact O-N 3.02Å; S74-Y117 WeakPolarHBondContact O-CD1 3.29Å |
| 75 | C | 93.6 | Very high | 92.4 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -63.7 | -46.1 | 175.1 | -67.3 | 0 | 0 | 0 | 0 | 112.7 | H53 F70 P71 R72 L73 L78 L79 | H53-C75 HydrophobicContact CB-CB 4.12Å; H53-C75 WeakPolarHBondContact CD2-CB 3.27Å; H53-C75 PolarHBondContact CD2-SG 3.38Å; H53-C75 PolarHBondContact NE2-SG 3.27Å; F70-C75 WeakPolarHBondContact CD1-SG 3.33Å; P71-C75 PolarHBondContact O-N 3.4Å; R72-C75 WeakPolarHBondContact O-CB 3.4Å; R72-C75 PolarHBondContact O-N 2.73Å; R72-C75 VanDerWaalsContact O-N 3.14Å; L73-C75 VanDerWaalsContact C-N 3.29Å; L73-C75 PolarHBondContact O-N 3.21Å; C75-L78 WeakPolarHBondContact O-CB 3.33Å; C75-L78 PolarHBondContact O-N 3.3Å; C75-L79 VanDerWaalsContact O-CG 3.29Å; C75-L79 WeakPolarHBondContact O-CG 3.43Å; C75-L79 PolarHBondContact O-N 2.92Å |
| 76 | F | 92.8 | Very high | 92.5 | Very high | 10 Ų | 10 | 35.8 Ų | 35.8 | 4% | 0.044 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -73.1 | -34 | -179.7 | -80.8 | -81.2 | 0 | 0 | 0 | 112.6 | H53 I55 R72 L73 L79 S80 V133 L136 V139 | H53-F76 HydrophobicContact CB-CE2 4.01Å; H53-F76 HydrophobicContact CB-CZ 4.03Å; H53-F76 AromaticContact ND1-CE2 3.62Å; I55-F76 HydrophobicContact CG2-CD1 3.55Å; I55-F76 HydrophobicContact CG2-CE1 3.53Å; R72-F76 HydrophobicContact CG-CD2 3.49Å; R72-F76 VanDerWaalsContact CG-CD2 3.49Å; R72-F76 HydrophobicContact CG-CE2 3.47Å; R72-F76 VanDerWaalsContact CG-CE2 3.47Å; R72-F76 WeakPolarHBondContact O-CD2 3.12Å; R72-F76 PolarHBondContact O-N 3.13Å; L73-F76 PolarHBondContact O-N 3.16Å; F76-L79 PolarHBondContact O-N 2.85Å; F76-S80 WeakPolarHBondContact O-CB 3Å; F76-S80 PolarHBondContact O-N 3.19Å; F76-V133 HydrophobicContact CB-CG1 4.29Å; F76-L136 HydrophobicContact CB-CD2 3.87Å; F76-L136 HydrophobicContact CD1-CD2 4.39Å; F76-L136 HydrophobicContact CD2-CD2 3.47Å; F76-L136 VanDerWaalsContact CD2-CD2 3.47Å; F76-L136 HydrophobicContact CE2-CD2 4.12Å; F76-L136 HydrophobicContact CG-CD2 3.64Å; F76-V139 HydrophobicContact CD1-CG2 4.45Å; F76-V139 HydrophobicContact CE1-CG1 4.24Å; F76-V139 HydrophobicContact CE1-CG2 3.96Å; F76-V139 HydrophobicContact CE2-CG1 3.78Å; F76-V139 HydrophobicContact CE2-CG2 4.38Å; F76-V139 HydrophobicContact CZ-CB 4.3Å; F76-V139 HydrophobicContact CZ-CG1 3.42Å; F76-V139 VanDerWaalsContact CZ-CG1 3.42Å; F76-V139 HydrophobicContact CZ-CG2 3.93Å |
| 77 | N | 91.9 | Very high | 92.5 | Very high | 25 Ų | 25 | 38.6 Ų | 38.6 | 13% | 0.134 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -60.6 | -47.2 | 170.6 | -67.2 | 14 | 0 | 0 | 0 | 110.6 | L73 L79 S80 D81 Y117 V133 | L73-N77 WeakPolarHBondContact CD1-OD1 3.35Å; L73-N77 WeakPolarHBondContact O-CB 3.27Å; L73-N77 PolarHBondContact O-N 3Å; L73-N77 PolarHBondContact O-OD1 2.73Å; N77-L79 VanDerWaalsContact C-N 3.33Å; N77-L79 PolarHBondContact O-N 3.4Å; N77-S80 PolarHBondContact O-N 3.36Å; N77-D81 PolarHBondContact O-N 3.25Å; N77-Y117 HydrophobicContact CB-CD1 4.33Å; N77-Y117 HydrophobicContact CB-CE1 3.41Å; N77-Y117 VanDerWaalsContact CB-CE1 3.41Å; N77-V133 HydrophobicContact CB-CG2 4.24Å; N77-V133 VanDerWaalsContact OD1-CB 3.28Å; N77-V133 WeakPolarHBondContact OD1-CB 3.36Å; N77-V133 WeakPolarHBondContact OD1-CG2 3.26Å |
| 78 | L | 94.1 | Very high | 92.5 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -52.7 | -51.5 | 172.6 | 167.8 | 68.5 | 0 | 0 | 0 | 111.3 | I3 C64 S74 C75 S80 D81 V82 L113 M114 Y117 | I3-L78 HydrophobicContact CD1-CD2 3.62Å; I3-L78 HydrophobicContact CG2-CD2 4.09Å; C64-L78 HydrophobicContact CB-CD2 4.25Å; S74-L78 WeakPolarHBondContact O-CB 3.47Å; S74-L78 PolarHBondContact O-N 3.02Å; C75-L78 WeakPolarHBondContact O-CB 3.33Å; C75-L78 PolarHBondContact O-N 3.3Å; L78-S80 VanDerWaalsContact C-N 3.32Å; L78-S80 PolarHBondContact O-N 2.8Å; L78-D81 PolarHBondContact O-N 3.47Å; L78-V82 HydrophobicContact CD1-CG2 4.05Å; L78-V82 HydrophobicContact CG-CG2 4.42Å; L78-V82 WeakPolarHBondContact O-CB 3.28Å; L78-V82 VanDerWaalsContact O-CG2 3.24Å; L78-V82 WeakPolarHBondContact O-CG2 3.46Å; L78-V82 PolarHBondContact O-N 3.29Å; L78-L113 HydrophobicContact CD1-CB 3.48Å; L78-L113 VanDerWaalsContact CD1-CB 3.48Å; L78-M114 HydrophobicContact CD2-CG 4.35Å; L78-Y117 VanDerWaalsContact CA-CE2 3.46Å; L78-Y117 HydrophobicContact CB-CD1 4.42Å; L78-Y117 HydrophobicContact CB-CD2 3.58Å; L78-Y117 HydrophobicContact CB-CE2 3.98Å; L78-Y117 HydrophobicContact CB-CG 3.83Å; L78-Y117 HydrophobicContact CD1-CD2 3.63Å; L78-Y117 HydrophobicContact CD1-CE2 4.21Å; L78-Y117 HydrophobicContact CD1-CG 4.44Å; L78-Y117 HydrophobicContact CG-CD2 4.21Å |
| 79 | L | 94.9 | Very high | 92.6 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -64.9 | -36.8 | -177.2 | -67.6 | 174.7 | 0 | 0 | 0 | 112.3 | T6 H53 I55 C64 C75 F76 N77 V82 Q83 | T6-L79 HydrophobicContact CG2-CD2 4.4Å; H53-L79 HydrophobicContact CB-CD1 3.95Å; H53-L79 WeakPolarHBondContact O-CD1 3.32Å; I55-L79 HydrophobicContact CD1-CB 3.59Å; I55-L79 HydrophobicContact CG1-CB 3.93Å; I55-L79 HydrophobicContact CG1-CD1 4.45Å; I55-L79 HydrophobicContact CG2-CD1 4.49Å; C64-L79 HydrophobicContact CB-CD2 4.05Å; C75-L79 VanDerWaalsContact O-CG 3.29Å; C75-L79 WeakPolarHBondContact O-CG 3.43Å; C75-L79 PolarHBondContact O-N 2.92Å; F76-L79 PolarHBondContact O-N 2.85Å; N77-L79 VanDerWaalsContact C-N 3.33Å; N77-L79 PolarHBondContact O-N 3.4Å; L79-V82 PolarHBondContact O-N 3.48Å; L79-Q83 WeakPolarHBondContact O-CB 3.4Å; L79-Q83 PolarHBondContact O-N 3.48Å |
| 80 | S | 92.3 | Very high | 92.7 | Very high | 33 Ų | 33 | 37.3 Ų | 37.3 | 23% | 0.231 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -61.8 | -46.6 | 174.4 | -173.1 | 0 | 0 | 0 | 0 | 111.6 | F76 N77 L78 V82 Q83 Q84 | F76-S80 WeakPolarHBondContact O-CB 3Å; F76-S80 PolarHBondContact O-N 3.19Å; N77-S80 PolarHBondContact O-N 3.36Å; L78-S80 VanDerWaalsContact C-N 3.32Å; L78-S80 PolarHBondContact O-N 2.8Å; S80-V82 VanDerWaalsContact C-N 3.34Å; S80-V82 PolarHBondContact O-N 3.16Å; S80-Q83 PolarHBondContact O-N 3.09Å; S80-Q84 WeakPolarHBondContact O-CB 3.42Å; S80-Q84 PolarHBondContact O-N 3.33Å |
| 81 | D | 94 | Very high | 92.6 | Very high | 26 Ų | 26 | 37.1 Ų | 37.1 | 14% | 0.139 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -63.2 | -40.8 | 176.2 | -77.5 | -9.1 | 0 | 0 | 0 | 112 | N77 L78 Q84 Q85 L113 Y117 | N77-D81 PolarHBondContact O-N 3.25Å; L78-D81 PolarHBondContact O-N 3.47Å; D81-Q84 PolarHBondContact O-N 3.48Å; D81-Q85 WeakPolarHBondContact O-CB 3.49Å; D81-Q85 WeakPolarHBondContact O-CG 3.48Å; D81-Q85 PolarHBondContact O-N 3.38Å; D81-L113 HydrophobicContact CB-CD1 4.21Å; D81-L113 HydrophobicContact CB-CD2 4.14Å; D81-Y117 VanDerWaalsContact OD2-CE2 3.28Å; D81-Y117 WeakPolarHBondContact OD2-CE2 3.45Å; D81-Y117 PolarHBondContact OD2-OH 2.9Å |
| 82 | V | 95.5 | Very high | 92.5 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -60.8 | -49 | 175.3 | 168.7 | 0 | 0 | 0 | 0 | 110.1 | T6 I8 Y62 L78 L79 S80 Q85 F86 F106 L110 L113 | T6-V82 HydrophobicContact CG2-CG2 4.43Å; I8-V82 HydrophobicContact CD1-CG1 3.78Å; I8-V82 HydrophobicContact CG1-CG1 4.09Å; Y62-V82 HydrophobicContact CD1-CG1 3.74Å; Y62-V82 HydrophobicContact CE1-CG1 4.26Å; L78-V82 HydrophobicContact CD1-CG2 4.05Å; L78-V82 HydrophobicContact CG-CG2 4.42Å; L78-V82 WeakPolarHBondContact O-CB 3.28Å; L78-V82 VanDerWaalsContact O-CG2 3.24Å; L78-V82 WeakPolarHBondContact O-CG2 3.46Å; L78-V82 PolarHBondContact O-N 3.29Å; L79-V82 PolarHBondContact O-N 3.48Å; S80-V82 VanDerWaalsContact C-N 3.34Å; S80-V82 PolarHBondContact O-N 3.16Å; V82-Q85 PolarHBondContact O-N 2.92Å; V82-F86 WeakPolarHBondContact O-CB 3.26Å; V82-F86 PolarHBondContact O-N 3.19Å; V82-F106 HydrophobicContact CG1-CE1 4.18Å; V82-L110 HydrophobicContact CB-CD2 4.4Å; V82-L110 HydrophobicContact CG1-CD2 3.7Å; V82-L110 HydrophobicContact CG2-CD2 3.7Å; V82-L113 HydrophobicContact CB-CD1 4.49Å; V82-L113 HydrophobicContact CG2-CD1 3.61Å |
| 83 | Q | 94.1 | Very high | 92.4 | Very high | 52 Ų | 52 | 45.8 Ų | 45.8 | 24% | 0.243 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -58.5 | -51.5 | 178 | 178.7 | -173.2 | 0.7 | 0 | 0 | 110.7 | I55 D57 Y62 L79 S80 Q85 F86 T87 | I55-Q83 HydrophobicContact CD1-CB 4.28Å; D57-Q83 VanDerWaalsContact CB-NE2 3.31Å; D57-Q83 VanDerWaalsContact CG-NE2 3.34Å; D57-Q83 PolarHBondContact OD2-NE2 3.33Å; Y62-Q83 HydrophobicContact CD1-CB 4.41Å; Y62-Q83 HydrophobicContact CD2-CB 4.25Å; Y62-Q83 HydrophobicContact CD2-CG 4.34Å; Y62-Q83 HydrophobicContact CE1-CB 4.16Å; Y62-Q83 HydrophobicContact CE2-CB 4.02Å; Y62-Q83 HydrophobicContact CE2-CG 3.75Å; Y62-Q83 HydrophobicContact CG-CB 4.44Å; L79-Q83 WeakPolarHBondContact O-CB 3.4Å; L79-Q83 PolarHBondContact O-N 3.48Å; S80-Q83 PolarHBondContact O-N 3.09Å; Q83-Q85 PolarHBondContact O-N 3.4Å; Q83-F86 PolarHBondContact O-N 3.27Å; Q83-T87 WeakPolarHBondContact O-CB 3.32Å; Q83-T87 PolarHBondContact O-N 3.46Å; Q83-T87 PolarHBondContact O-OG1 3.17Å; Q83-T87 VanDerWaalsContact O-OG1 3.09Å |
| 84 | Q | 92.6 | Very high | 92.5 | Very high | 127 Ų | 127 | 44.2 Ų | 44.2 | 59% | 0.593 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -59.4 | -48.3 | -178.7 | -173.7 | -176.8 | 3.9 | 0 | 0 | 111.9 | S80 D81 S88 | S80-Q84 WeakPolarHBondContact O-CB 3.42Å; S80-Q84 PolarHBondContact O-N 3.33Å; D81-Q84 PolarHBondContact O-N 3.48Å; Q84-S88 WeakPolarHBondContact O-CB 3.31Å; Q84-S88 PolarHBondContact O-N 3.43Å |
| 85 | Q | 94.3 | Very high | 92.4 | Very high | 59 Ų | 59 | 48 Ų | 48 | 28% | 0.276 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -67 | -39.4 | 179.4 | -71.8 | -175 | 42.4 | 0 | 0 | 111.9 | D81 V82 Q83 T89 F106 R112 | D81-Q85 WeakPolarHBondContact O-CB 3.49Å; D81-Q85 WeakPolarHBondContact O-CG 3.48Å; D81-Q85 PolarHBondContact O-N 3.38Å; V82-Q85 PolarHBondContact O-N 2.92Å; Q83-Q85 PolarHBondContact O-N 3.4Å; Q85-T89 VanDerWaalsContact O-CB 3.27Å; Q85-T89 WeakPolarHBondContact O-CB 3.39Å; Q85-T89 PolarHBondContact O-N 2.8Å; Q85-T89 PolarHBondContact O-OG1 3.16Å; Q85-F106 HydrophobicContact CB-CE2 4.31Å; Q85-F106 HydrophobicContact CB-CZ 4.08Å; Q85-R112 VanDerWaalsContact OE1-NH2 3.1Å |
| 86 | F | 94.9 | Very high | 92.2 | Very high | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -67.3 | -47.9 | -179.6 | -169.9 | -101.9 | 0 | 0 | 0 | 111.7 | I8 L15 I60 Y62 V82 Q83 T89 Y90 V94 M102 F106 | I8-F86 HydrophobicContact CD1-CB 4.12Å; I8-F86 HydrophobicContact CD1-CD1 4.38Å; I8-F86 HydrophobicContact CD1-CD2 3.35Å; I8-F86 HydrophobicContact CD1-CE2 3.78Å; I8-F86 HydrophobicContact CD1-CG 3.7Å; I8-F86 HydrophobicContact CD1-CZ 4.44Å; I8-F86 HydrophobicContact CG2-CD1 4.18Å; I8-F86 HydrophobicContact CG2-CE1 3.92Å; I8-F86 HydrophobicContact CG2-CE2 4.39Å; I8-F86 HydrophobicContact CG2-CZ 4.05Å; L15-F86 HydrophobicContact CB-CZ 4.24Å; L15-F86 HydrophobicContact CD1-CE1 4.01Å; L15-F86 HydrophobicContact CD1-CZ 3.75Å; I60-F86 HydrophobicContact CD1-CE1 4.27Å; Y62-F86 HydrophobicContact CE1-CB 4.05Å; Y62-F86 HydrophobicContact CE1-CD1 4.06Å; Y62-F86 HydrophobicContact CE1-CG 4.23Å; V82-F86 WeakPolarHBondContact O-CB 3.26Å; V82-F86 PolarHBondContact O-N 3.19Å; Q83-F86 PolarHBondContact O-N 3.27Å; F86-T89 PolarHBondContact O-N 3.18Å; F86-Y90 AromaticContact CD2-CD2 3.52Å; F86-Y90 HydrophobicContact CD2-CD2 3.52Å; F86-Y90 AromaticContact CD2-CE2 3.72Å; F86-Y90 HydrophobicContact CD2-CE2 3.72Å; F86-Y90 HydrophobicContact CE1-CD2 4.45Å; F86-Y90 AromaticContact CE2-CD2 3.37Å; F86-Y90 HydrophobicContact CE2-CD2 3.37Å; F86-Y90 AromaticContact CE2-CE2 3.54Å; F86-Y90 HydrophobicContact CE2-CE2 3.54Å; F86-Y90 HydrophobicContact CE2-CG 4.4Å; F86-Y90 HydrophobicContact CG-CD2 4.13Å; F86-Y90 AromaticContact CZ-CD2 3.87Å; F86-Y90 HydrophobicContact CZ-CD2 3.87Å; F86-Y90 HydrophobicContact CZ-CE2 4.4Å; F86-Y90 PolarHBondContact O-N 3.24Å; F86-V94 HydrophobicContact CD1-CG2 4.35Å; F86-V94 HydrophobicContact CE1-CB 4.44Å; F86-V94 HydrophobicContact CE1-CG1 4.11Å; F86-V94 HydrophobicContact CE1-CG2 3.46Å; F86-V94 VanDerWaalsContact CE1-CG2 3.46Å; F86-V94 HydrophobicContact CZ-CG1 4.5Å; F86-V94 HydrophobicContact CZ-CG2 3.84Å; F86-M102 HydrophobicContact CE2-CB 4.18Å; F86-M102 HydrophobicContact CE2-CG 4.35Å; F86-M102 HydrophobicContact CZ-CG 4.38Å; F86-F106 HydrophobicContact CB-CE1 4.09Å; F86-F106 HydrophobicContact CB-CE2 4.07Å; F86-F106 HydrophobicContact CB-CZ 3.61Å; F86-F106 AromaticContact CD2-CD1 3.79Å; F86-F106 HydrophobicContact CD2-CD1 3.79Å; F86-F106 AromaticContact CD2-CD2 3.93Å; F86-F106 HydrophobicContact CD2-CD2 3.93Å; F86-F106 AromaticContact CD2-CE1 3.8Å; F86-F106 HydrophobicContact CD2-CE1 3.8Å; F86-F106 AromaticContact CD2-CE2 3.91Å; F86-F106 HydrophobicContact CD2-CE2 3.91Å; F86-F106 AromaticContact CD2-CG 3.86Å; F86-F106 HydrophobicContact CD2-CG 3.86Å; F86-F106 AromaticContact CD2-CZ 3.84Å; F86-F106 HydrophobicContact CD2-CZ 3.84Å; F86-F106 HydrophobicContact CE2-CD1 4.41Å; F86-F106 HydrophobicContact CE2-CG 4.32Å; F86-F106 HydrophobicContact CG-CE1 4.42Å; F86-F106 HydrophobicContact CG-CZ 4.25Å |
| 87 | T | 92.4 | Very high | 92.1 | Very high | 59 Ų | 59 | 55.1 Ų | 55.1 | 36% | 0.362 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -65.3 | -40.7 | 179.1 | -61.1 | 0 | 0 | 0 | 0 | 111.2 | Y62 Q83 T89 G91 | Y62-T87 PolarHBondContact OH-OG1 2.99Å; Q83-T87 WeakPolarHBondContact O-CB 3.32Å; Q83-T87 PolarHBondContact O-N 3.46Å; Q83-T87 PolarHBondContact O-OG1 3.17Å; Q83-T87 VanDerWaalsContact O-OG1 3.09Å; T87-T89 VanDerWaalsContact C-N 3.35Å; T87-T89 PolarHBondContact O-N 2.63Å; T87-G91 VanDerWaalsContact O-CA 3.27Å; T87-G91 WeakPolarHBondContact O-CA 3.5Å; T87-G91 PolarHBondContact O-N 2.92Å |
| 88 | S | 92.1 | Very high | 92 | Very high | 107 Ų | 107 | 60.2 Ų | 60.2 | 75% | 0.748 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -62.8 | -39.1 | 174 | -179 | 0 | 0 | 0 | 0 | 112.6 | Q84 | Q84-S88 WeakPolarHBondContact O-CB 3.31Å; Q84-S88 PolarHBondContact O-N 3.43Å |
| 89 | T | 92.6 | Very high | 91.9 | Very high | 68 Ų | 68 | 63.7 Ų | 63.7 | 42% | 0.417 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -76.8 | -46.2 | -176.9 | -57 | 0 | 0 | 0 | 0 | 112.4 | Q85 F86 T87 R93 | Q85-T89 VanDerWaalsContact O-CB 3.27Å; Q85-T89 WeakPolarHBondContact O-CB 3.39Å; Q85-T89 PolarHBondContact O-N 2.8Å; Q85-T89 PolarHBondContact O-OG1 3.16Å; F86-T89 PolarHBondContact O-N 3.18Å; T87-T89 VanDerWaalsContact C-N 3.35Å; T87-T89 PolarHBondContact O-N 2.63Å; T89-R93 PolarHBondContact O-NH2 3.34Å |
| 90 | Y | 92.5 | Very high | 91.7 | Very high | 20 Ų | 20 | 68.9 Ų | 68.9 | 8% | 0.078 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -108.7 | -33.8 | -169.8 | -61.6 | -71.5 | 0 | 0 | 0 | 114 | F86 N92 R93 V94 M102 F106 | F86-Y90 AromaticContact CD2-CD2 3.52Å; F86-Y90 HydrophobicContact CD2-CD2 3.52Å; F86-Y90 AromaticContact CD2-CE2 3.72Å; F86-Y90 HydrophobicContact CD2-CE2 3.72Å; F86-Y90 HydrophobicContact CE1-CD2 4.45Å; F86-Y90 AromaticContact CE2-CD2 3.37Å; F86-Y90 HydrophobicContact CE2-CD2 3.37Å; F86-Y90 AromaticContact CE2-CE2 3.54Å; F86-Y90 HydrophobicContact CE2-CE2 3.54Å; F86-Y90 HydrophobicContact CE2-CG 4.4Å; F86-Y90 HydrophobicContact CG-CD2 4.13Å; F86-Y90 AromaticContact CZ-CD2 3.87Å; F86-Y90 HydrophobicContact CZ-CD2 3.87Å; F86-Y90 HydrophobicContact CZ-CE2 4.4Å; F86-Y90 PolarHBondContact O-N 3.24Å; Y90-N92 PolarHBondContact O-N 3.22Å; Y90-R93 VanDerWaalsContact O-CB 3.27Å; Y90-R93 WeakPolarHBondContact O-CB 3.03Å; Y90-R93 WeakPolarHBondContact O-CG 3.21Å; Y90-R93 PolarHBondContact O-N 3.31Å; Y90-V94 HydrophobicContact CG-CG2 4.47Å; Y90-M102 HydrophobicContact CD1-CE 4.48Å; Y90-M102 HydrophobicContact CD1-CG 4.11Å; Y90-M102 HydrophobicContact CD1-SD 3.58Å; Y90-M102 VanDerWaalsContact CD1-SD 3.58Å; Y90-M102 HydrophobicContact CD2-CG 4.36Å; Y90-M102 HydrophobicContact CE1-CB 4.22Å; Y90-M102 HydrophobicContact CE1-CG 3.89Å; Y90-M102 HydrophobicContact CE1-SD 3.28Å; Y90-M102 WeakPolarHBondContact CE1-SD 3.38Å; Y90-M102 HydrophobicContact CE2-CB 3.96Å; Y90-M102 HydrophobicContact CE2-CG 4.12Å; Y90-M102 HydrophobicContact CG-CG 4.34Å; Y90-M102 HydrophobicContact CG-SD 4.36Å; Y90-F106 HydrophobicContact CD2-CD2 4.49Å; Y90-F106 HydrophobicContact CE2-CB 4.12Å; Y90-F106 AromaticContact CE2-CD2 3.59Å; Y90-F106 HydrophobicContact CE2-CD2 3.59Å; Y90-F106 HydrophobicContact CE2-CE2 4.33Å; Y90-F106 HydrophobicContact CE2-CG 4.06Å |
| 91 | G | 90.1 | Very high | 91.5 | Very high | 29 Ų | 29 | 69.4 Ų | 69.4 | 30% | 0.299 | 37% | 0.37 | S | S | . | . | G | 310 helix | trans | 44.8 | -126 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | T87 R93 V94 | T87-G91 VanDerWaalsContact O-CA 3.27Å; T87-G91 WeakPolarHBondContact O-CA 3.5Å; T87-G91 PolarHBondContact O-N 2.92Å; G91-R93 PolarHBondContact O-N 3.38Å; G91-R93 VanDerWaalsContact O-N 3.16Å; G91-V94 WeakPolarHBondContact O-CB 3.47Å; G91-V94 VanDerWaalsContact O-CG2 3.31Å; G91-V94 WeakPolarHBondContact O-CG2 3.34Å; G91-V94 PolarHBondContact O-N 3.04Å |
| 92 | N | 88.5 | Confident | 91.3 | Very high | 144 Ų | 144 | 69.3 Ų | 69.3 | 77% | 0.77 | 37% | 0.369 | S | S | * | . | G | 310 helix | trans | -66.1 | -16.6 | -177.6 | -69.1 | -33.1 | 0 | 0 | 0 | 114.9 | Y90 V94 Q95 | Y90-N92 PolarHBondContact O-N 3.22Å; N92-V94 PolarHBondContact O-N 3.17Å; N92-V94 VanDerWaalsContact O-N 3.09Å; N92-Q95 PolarHBondContact O-N 3.41Å; N92-Q95 VanDerWaalsContact O-N 3.13Å |
| 93 | R | 88.7 | Confident | 91.1 | Very high | 164 Ų | 164 | 70.6 Ų | 70.6 | 62% | 0.619 | 38% | 0.376 | S | S | * | . | G | 310 helix | trans | -61.7 | -20.6 | 176.8 | -62.5 | -173 | -74.2 | 173.8 | -3.8 | 112.3 | T89 Y90 G91 Q95 | T89-R93 PolarHBondContact O-NH2 3.34Å; Y90-R93 VanDerWaalsContact O-CB 3.27Å; Y90-R93 WeakPolarHBondContact O-CB 3.03Å; Y90-R93 WeakPolarHBondContact O-CG 3.21Å; Y90-R93 PolarHBondContact O-N 3.31Å; G91-R93 PolarHBondContact O-N 3.38Å; G91-R93 VanDerWaalsContact O-N 3.16Å; R93-Q95 VanDerWaalsContact C-N 3.27Å; R93-Q95 PolarHBondContact O-N 2.66Å |
| 94 | V | 90.3 | Very high | 90.7 | Very high | 1 Ų | 1 | 72.1 Ų | 72.1 | 1% | 0.006 | 39% | 0.392 | C | S | . | . | G | 310 helix | trans | -66.3 | -26.9 | 178.3 | -179.2 | 0 | 0 | 0 | 0 | 112.3 | R10 L15 I60 F86 Y90 G91 N92 N96 A97 | R10-V94 WeakPolarHBondContact CD-O 3.22Å; R10-V94 PolarHBondContact NH1-O 2.92Å; L15-V94 HydrophobicContact CD1-CG1 3.36Å; I60-V94 HydrophobicContact CD1-CB 4.21Å; I60-V94 HydrophobicContact CD1-CG1 3.6Å; I60-V94 HydrophobicContact CD1-CG2 4.48Å; I60-V94 HydrophobicContact CG1-CG1 4.1Å; F86-V94 HydrophobicContact CD1-CG2 4.35Å; F86-V94 HydrophobicContact CE1-CB 4.44Å; F86-V94 HydrophobicContact CE1-CG1 4.11Å; F86-V94 HydrophobicContact CE1-CG2 3.46Å; F86-V94 VanDerWaalsContact CE1-CG2 3.46Å; F86-V94 HydrophobicContact CZ-CG1 4.5Å; F86-V94 HydrophobicContact CZ-CG2 3.84Å; Y90-V94 HydrophobicContact CG-CG2 4.47Å; G91-V94 WeakPolarHBondContact O-CB 3.47Å; G91-V94 VanDerWaalsContact O-CG2 3.31Å; G91-V94 WeakPolarHBondContact O-CG2 3.34Å; G91-V94 PolarHBondContact O-N 3.04Å; N92-V94 PolarHBondContact O-N 3.17Å; N92-V94 VanDerWaalsContact O-N 3.09Å; V94-N96 VanDerWaalsContact C-N 3.32Å; V94-N96 PolarHBondContact O-N 3.07Å; V94-A97 PolarHBondContact O-N 2.75Å |
| 95 | Q | 89.4 | Confident | 90.5 | Very high | 83 Ų | 83 | 71.1 Ų | 71.1 | 39% | 0.388 | 39% | 0.391 | S | S | . | . | G | 310 helix | trans | -66.7 | -31.2 | -171.4 | -63 | -57.3 | -26.4 | 0 | 0 | 113.9 | R10 N59 N92 R93 | R10-Q95 VanDerWaalsContact NH1-C 3.28Å; R10-Q95 PolarHBondContact NH1-O 3.36Å; N59-Q95 PolarHBondContact ND2-OE1 3.36Å; N59-Q95 PolarHBondContact OD1-NE2 2.78Å; N92-Q95 PolarHBondContact O-N 3.41Å; N92-Q95 VanDerWaalsContact O-N 3.13Å; R93-Q95 VanDerWaalsContact C-N 3.27Å; R93-Q95 PolarHBondContact O-N 2.66Å |
| 96 | N | 89.3 | Confident | 90.4 | Very high | 152 Ų | 152 | 68.5 Ų | 68.5 | 81% | 0.813 | 38% | 0.379 | S | S | * | . | G | 310 helix | trans | -110.3 | 5.6 | -179.9 | -61.1 | -39.7 | 0 | 0 | 0 | 113.5 | V94 | V94-N96 VanDerWaalsContact C-N 3.32Å; V94-N96 PolarHBondContact O-N 3.07Å |
| 97 | A | 89.9 | Confident | 90.3 | Very high | 9 Ų | 9 | 68.6 Ų | 68.6 | 7% | 0.074 | 38% | 0.38 | C | S | . | . | P | Polyproline II helix | trans | -60.4 | 140.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | R10 L15 V94 A101 M102 | R10-A97 VanDerWaalsContact CZ-O 3.28Å; R10-A97 PolarHBondContact NH1-O 3.02Å; R10-A97 PolarHBondContact NH2-O 3.05Å; L15-A97 HydrophobicContact CD2-CB 3.92Å; V94-A97 PolarHBondContact O-N 2.75Å; A97-A101 HydrophobicContact CB-CB 4.23Å; A97-M102 HydrophobicContact CB-CE 3.61Å |
| 98 | L | 90.7 | Very high | 90.2 | Very high | 131 Ų | 131 | 67.8 Ų | 67.8 | 69% | 0.686 | 38% | 0.375 | S | S | * | . | P | Polyproline II helix | trans | -74.5 | 161.6 | 168.7 | -66 | 175.5 | 0 | 0 | 0 | 110.6 | Y100 A101 | L98-Y100 PolarHBondContact O-N 3.31Å; L98-A101 HydrophobicContact CB-CB 4.35Å; L98-A101 WeakPolarHBondContact O-CB 3.4Å; L98-A101 PolarHBondContact O-N 3.09Å; L98-A101 VanDerWaalsContact O-N 3.17Å |
| 99 | P | 91.2 | Very high | 90.2 | Very high | 74 Ų | 74 | 63.9 Ų | 63.9 | 48% | 0.481 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.3 | 139.5 | 167.7 | -24.8 | 34.4 | 0 | 0 | 0 | 111.2 | A13 I14 A101 | A13-P99 HydrophobicContact CB-CG 4.07Å; I14-P99 CarbonylContact O-C 3.52Å; I14-P99 WeakPolarHBondContact O-CA 3.16Å; P99-A101 PolarHBondContact O-N 3.28Å |
| 100 | Y | 90.5 | Very high | 90.3 | Very high | 109 Ų | 109 | 60.7 Ų | 60.7 | 43% | 0.427 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.4 | 8.9 | -178.9 | -52.9 | -81.4 | 0 | 0 | 0 | 115.7 | I14 L15 K17 L98 M102 N103 | I14-Y100 HydrophobicContact CB-CE1 4.09Å; I14-Y100 HydrophobicContact CG2-CD1 4.14Å; I14-Y100 HydrophobicContact CG2-CE1 3.74Å; I14-Y100 PolarHBondContact O-N 3.36Å; L15-Y100 CarbonylContact O-C 3.59Å; K17-Y100 HydrophobicContact CD-CE1 4.21Å; L98-Y100 PolarHBondContact O-N 3.31Å; Y100-M102 PolarHBondContact O-N 2.71Å; Y100-N103 HydrophobicContact CD1-CB 4.36Å; Y100-N103 VanDerWaalsContact O-CB 3.28Å; Y100-N103 WeakPolarHBondContact O-CB 3.11Å; Y100-N103 PolarHBondContact O-N 3.31Å |
| 101 | A | 87.9 | Confident | 90.3 | Very high | 43 Ų | 43 | 60.9 Ų | 60.9 | 36% | 0.355 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | -24.8 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | A97 L98 P99 | A97-A101 HydrophobicContact CB-CB 4.23Å; L98-A101 HydrophobicContact CB-CB 4.35Å; L98-A101 WeakPolarHBondContact O-CB 3.4Å; L98-A101 PolarHBondContact O-N 3.09Å; L98-A101 VanDerWaalsContact O-N 3.17Å; P99-A101 PolarHBondContact O-N 3.28Å |
| 102 | M | 90.2 | Very high | 90.4 | Very high | 25 Ų | 25 | 66.4 Ų | 66.4 | 12% | 0.123 | 34% | 0.344 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -107.3 | 2.1 | 179.3 | -50.2 | -46.3 | 153.8 | 0 | 0 | 112.4 | L15 F86 Y90 A97 Y100 S104 D105 F106 | L15-M102 CarbonylContact O-C 3.51Å; L15-M102 PolarHBondContact O-N 3.05Å; F86-M102 HydrophobicContact CE2-CB 4.18Å; F86-M102 HydrophobicContact CE2-CG 4.35Å; F86-M102 HydrophobicContact CZ-CG 4.38Å; Y90-M102 HydrophobicContact CD1-CE 4.48Å; Y90-M102 HydrophobicContact CD1-CG 4.11Å; Y90-M102 HydrophobicContact CD1-SD 3.58Å; Y90-M102 VanDerWaalsContact CD1-SD 3.58Å; Y90-M102 HydrophobicContact CD2-CG 4.36Å; Y90-M102 HydrophobicContact CE1-CB 4.22Å; Y90-M102 HydrophobicContact CE1-CG 3.89Å; Y90-M102 HydrophobicContact CE1-SD 3.28Å; Y90-M102 WeakPolarHBondContact CE1-SD 3.38Å; Y90-M102 HydrophobicContact CE2-CB 3.96Å; Y90-M102 HydrophobicContact CE2-CG 4.12Å; Y90-M102 HydrophobicContact CG-CG 4.34Å; Y90-M102 HydrophobicContact CG-SD 4.36Å; A97-M102 HydrophobicContact CB-CE 3.61Å; Y100-M102 PolarHBondContact O-N 2.71Å; M102-S104 PolarHBondContact O-N 2.88Å; M102-D105 PolarHBondContact O-N 2.76Å; M102-F106 VanDerWaalsContact O-CB 3.25Å; M102-F106 WeakPolarHBondContact O-CB 3.37Å; M102-F106 PolarHBondContact O-N 2.93Å |
| 103 | N | 90.3 | Very high | 90.6 | Very high | 27 Ų | 27 | 60 Ų | 60 | 14% | 0.144 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -69.1 | -36.8 | -171.5 | -165.8 | 68.7 | 0 | 0 | 0 | 112.2 | L15 A16 K17 Y100 D105 S107 | L15-N103 PolarHBondContact O-N 2.92Å; L15-N103 VanDerWaalsContact O-N 3.16Å; A16-N103 WeakPolarHBondContact CA-OD1 3.27Å; K17-N103 PolarHBondContact N-OD1 2.98Å; K17-N103 PolarHBondContact O-OD1 3.25Å; Y100-N103 HydrophobicContact CD1-CB 4.36Å; Y100-N103 VanDerWaalsContact O-CB 3.28Å; Y100-N103 WeakPolarHBondContact O-CB 3.11Å; Y100-N103 PolarHBondContact O-N 3.31Å; N103-D105 PolarHBondContact O-N 2.69Å; N103-S107 WeakPolarHBondContact O-CB 3.49Å; N103-S107 PolarHBondContact O-N 3.48Å; N103-S107 VanDerWaalsContact O-N 3.16Å; N103-S107 PolarHBondContact O-OG 3.25Å |
| 104 | S | 86.7 | Confident | 90.8 | Very high | 83 Ų | 83 | 52.3 Ų | 52.3 | 58% | 0.58 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -59.1 | -37.9 | -179.5 | 58.8 | 0 | 0 | 0 | 0 | 112.7 | M102 | M102-S104 PolarHBondContact O-N 2.88Å |
| 105 | D | 87.4 | Confident | 90.9 | Very high | 107 Ų | 107 | 59.4 Ų | 59.4 | 57% | 0.572 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -98.9 | -44.5 | -171.1 | -56.9 | -11.6 | 0 | 0 | 0 | 110.6 | M102 N103 | M102-D105 PolarHBondContact O-N 2.76Å; N103-D105 PolarHBondContact O-N 2.69Å |
| 106 | F | 93.1 | Very high | 91 | Very high | 3 Ų | 3 | 60.8 Ų | 60.8 | 1% | 0.013 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -85.1 | -20.7 | -172.1 | -151.8 | -95.4 | 0 | 0 | 0 | 113.6 | I8 A16 V82 Q85 F86 Y90 M102 V108 V109 L110 | I8-F106 HydrophobicContact CD1-CD1 3.61Å; I8-F106 HydrophobicContact CD1-CE1 3.51Å; I8-F106 HydrophobicContact CD1-CZ 4.47Å; A16-F106 HydrophobicContact CB-CB 4.03Å; A16-F106 HydrophobicContact CB-CD1 4.37Å; V82-F106 HydrophobicContact CG1-CE1 4.18Å; Q85-F106 HydrophobicContact CB-CE2 4.31Å; Q85-F106 HydrophobicContact CB-CZ 4.08Å; F86-F106 HydrophobicContact CB-CE1 4.09Å; F86-F106 HydrophobicContact CB-CE2 4.07Å; F86-F106 HydrophobicContact CB-CZ 3.61Å; F86-F106 AromaticContact CD2-CD1 3.79Å; F86-F106 HydrophobicContact CD2-CD1 3.79Å; F86-F106 AromaticContact CD2-CD2 3.93Å; F86-F106 HydrophobicContact CD2-CD2 3.93Å; F86-F106 AromaticContact CD2-CE1 3.8Å; F86-F106 HydrophobicContact CD2-CE1 3.8Å; F86-F106 AromaticContact CD2-CE2 3.91Å; F86-F106 HydrophobicContact CD2-CE2 3.91Å; F86-F106 AromaticContact CD2-CG 3.86Å; F86-F106 HydrophobicContact CD2-CG 3.86Å; F86-F106 AromaticContact CD2-CZ 3.84Å; F86-F106 HydrophobicContact CD2-CZ 3.84Å; F86-F106 HydrophobicContact CE2-CD1 4.41Å; F86-F106 HydrophobicContact CE2-CG 4.32Å; F86-F106 HydrophobicContact CG-CE1 4.42Å; F86-F106 HydrophobicContact CG-CZ 4.25Å; Y90-F106 HydrophobicContact CD2-CD2 4.49Å; Y90-F106 HydrophobicContact CE2-CB 4.12Å; Y90-F106 AromaticContact CE2-CD2 3.59Å; Y90-F106 HydrophobicContact CE2-CD2 3.59Å; Y90-F106 HydrophobicContact CE2-CE2 4.33Å; Y90-F106 HydrophobicContact CE2-CG 4.06Å; M102-F106 VanDerWaalsContact O-CB 3.25Å; M102-F106 WeakPolarHBondContact O-CB 3.37Å; M102-F106 PolarHBondContact O-N 2.93Å; F106-V108 PolarHBondContact O-N 2.72Å; F106-V109 HydrophobicContact CD1-CB 4.42Å; F106-V109 HydrophobicContact CD2-CB 4.18Å; F106-V109 HydrophobicContact CD2-CG1 4.5Å; F106-V109 HydrophobicContact CD2-CG2 4.21Å; F106-V109 HydrophobicContact CE1-CB 4.36Å; F106-V109 HydrophobicContact CE1-CG1 4.16Å; F106-V109 HydrophobicContact CE2-CB 4.17Å; F106-V109 HydrophobicContact CE2-CG1 3.98Å; F106-V109 HydrophobicContact CE2-CG2 4.35Å; F106-V109 HydrophobicContact CG-CB 4.33Å; F106-V109 HydrophobicContact CZ-CB 4.26Å; F106-V109 HydrophobicContact CZ-CG1 3.8Å; F106-V109 WeakPolarHBondContact O-CA 3.2Å; F106-V109 WeakPolarHBondContact O-CB 3.24Å; F106-V109 PolarHBondContact O-N 3.15Å; F106-L110 HydrophobicContact CD1-CD1 4.46Å; F106-L110 HydrophobicContact CD1-CD2 4.02Å; F106-L110 HydrophobicContact CD1-CG 3.89Å; F106-L110 HydrophobicContact CE1-CD2 3.78Å; F106-L110 HydrophobicContact CE1-CG 4.14Å; F106-L110 WeakPolarHBondContact O-CG 3.16Å; F106-L110 PolarHBondContact O-N 2.91Å |
| 107 | S | 92.2 | Very high | 91.2 | Very high | 3 Ų | 3 | 54.6 Ų | 54.6 | 2% | 0.021 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -59.9 | -32 | 174.2 | 61.1 | 0 | 0 | 0 | 0 | 112.3 | K17 N103 V109 L110 A111 | K17-S107 WeakPolarHBondContact O-CB 3.3Å; N103-S107 WeakPolarHBondContact O-CB 3.49Å; N103-S107 PolarHBondContact O-N 3.48Å; N103-S107 VanDerWaalsContact O-N 3.16Å; N103-S107 PolarHBondContact O-OG 3.25Å; S107-V109 VanDerWaalsContact C-N 3.34Å; S107-L110 PolarHBondContact O-N 3.47Å; S107-A111 WeakPolarHBondContact O-CB 3.31Å; S107-A111 PolarHBondContact O-N 3.41Å |
| 108 | V | 90.7 | Very high | 91.2 | Very high | 42 Ų | 42 | 55 Ų | 55 | 26% | 0.255 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -65.1 | -39.7 | 174.3 | -175.4 | 0 | 0 | 0 | 0 | 111.2 | F106 A111 R112 L169 | F106-V108 PolarHBondContact O-N 2.72Å; V108-A111 PolarHBondContact O-N 2.96Å; V108-R112 WeakPolarHBondContact O-CB 3.42Å; V108-R112 PolarHBondContact O-N 2.97Å; V108-L169 HydrophobicContact CB-CD2 4.35Å; V108-L169 HydrophobicContact CG1-CD2 3.86Å; V108-L169 HydrophobicContact CG2-CD2 3.93Å |
| 109 | V | 92 | Very high | 91.2 | Very high | 25 Ų | 25 | 50.4 Ų | 50.4 | 15% | 0.152 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -65.5 | -45.6 | 175.4 | 175.6 | 0 | 0 | 0 | 0 | 110.3 | F106 S107 R112 L113 | F106-V109 HydrophobicContact CD1-CB 4.42Å; F106-V109 HydrophobicContact CD2-CB 4.18Å; F106-V109 HydrophobicContact CD2-CG1 4.5Å; F106-V109 HydrophobicContact CD2-CG2 4.21Å; F106-V109 HydrophobicContact CE1-CB 4.36Å; F106-V109 HydrophobicContact CE1-CG1 4.16Å; F106-V109 HydrophobicContact CE2-CB 4.17Å; F106-V109 HydrophobicContact CE2-CG1 3.98Å; F106-V109 HydrophobicContact CE2-CG2 4.35Å; F106-V109 HydrophobicContact CG-CB 4.33Å; F106-V109 HydrophobicContact CZ-CB 4.26Å; F106-V109 HydrophobicContact CZ-CG1 3.8Å; F106-V109 WeakPolarHBondContact O-CA 3.2Å; F106-V109 WeakPolarHBondContact O-CB 3.24Å; F106-V109 PolarHBondContact O-N 3.15Å; S107-V109 VanDerWaalsContact C-N 3.34Å; V109-R112 PolarHBondContact O-N 2.83Å; V109-L113 HydrophobicContact CG1-CD1 4.02Å; V109-L113 HydrophobicContact CG1-CG 4.5Å; V109-L113 WeakPolarHBondContact O-CG 3.48Å; V109-L113 PolarHBondContact O-N 3.33Å |
| 110 | L | 95 | Very high | 90.8 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -58.2 | -48.7 | 174.9 | -64.8 | -179.6 | 0 | 0 | 0 | 111.3 | T6 I8 A16 C18 V82 F106 S107 R112 L113 M114 | T6-L110 HydrophobicContact CG2-CD2 3.89Å; I8-L110 HydrophobicContact CD1-CD2 4.37Å; A16-L110 HydrophobicContact CB-CD1 4.25Å; C18-L110 HydrophobicContact CB-CB 3.53Å; C18-L110 HydrophobicContact CB-CD1 4.1Å; C18-L110 HydrophobicContact CB-CG 4.47Å; V82-L110 HydrophobicContact CB-CD2 4.4Å; V82-L110 HydrophobicContact CG1-CD2 3.7Å; V82-L110 HydrophobicContact CG2-CD2 3.7Å; F106-L110 HydrophobicContact CD1-CD1 4.46Å; F106-L110 HydrophobicContact CD1-CD2 4.02Å; F106-L110 HydrophobicContact CD1-CG 3.89Å; F106-L110 HydrophobicContact CE1-CD2 3.78Å; F106-L110 HydrophobicContact CE1-CG 4.14Å; F106-L110 WeakPolarHBondContact O-CG 3.16Å; F106-L110 PolarHBondContact O-N 2.91Å; S107-L110 PolarHBondContact O-N 3.47Å; L110-R112 VanDerWaalsContact C-N 3.31Å; L110-R112 PolarHBondContact O-N 2.9Å; L110-L113 PolarHBondContact O-N 2.85Å; L110-M114 WeakPolarHBondContact O-CB 3.36Å; L110-M114 VanDerWaalsContact O-CG 3.23Å; L110-M114 WeakPolarHBondContact O-CG 3.41Å; L110-M114 PolarHBondContact O-N 2.85Å |
| 111 | A | 92.3 | Very high | 90.6 | Very high | 24 Ų | 24 | 56.4 Ų | 56.4 | 20% | 0.198 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -57.8 | -44 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112 | S107 V108 K115 | S107-A111 WeakPolarHBondContact O-CB 3.31Å; S107-A111 PolarHBondContact O-N 3.41Å; V108-A111 PolarHBondContact O-N 2.96Å; A111-K115 VanDerWaalsContact O-CB 3.32Å; A111-K115 WeakPolarHBondContact O-CB 3.41Å; A111-K115 PolarHBondContact O-N 2.89Å |
| 112 | R | 92.4 | Very high | 90.3 | Very high | 145 Ų | 145 | 56.7 Ų | 56.7 | 55% | 0.547 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -62.2 | -46.5 | 177.1 | 176.7 | -177.7 | 59.2 | 177.1 | -1.2 | 111.8 | Q85 V108 V109 L110 K115 Y116 | Q85-R112 VanDerWaalsContact OE1-NH2 3.1Å; V108-R112 WeakPolarHBondContact O-CB 3.42Å; V108-R112 PolarHBondContact O-N 2.97Å; V109-R112 PolarHBondContact O-N 2.83Å; L110-R112 VanDerWaalsContact C-N 3.31Å; L110-R112 PolarHBondContact O-N 2.9Å; R112-K115 PolarHBondContact O-N 2.85Å; R112-Y116 PolarHBondContact O-N 3.02Å |
| 113 | L | 92.8 | Very high | 89.3 | Confident | 11 Ų | 11 | 58.6 Ų | 58.6 | 6% | 0.058 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -68.7 | -44.4 | 179.7 | -71.3 | 173.4 | 0 | 0 | 0 | 111.6 | L78 D81 V82 V109 L110 K115 Y116 Y117 | L78-L113 HydrophobicContact CD1-CB 3.48Å; L78-L113 VanDerWaalsContact CD1-CB 3.48Å; D81-L113 HydrophobicContact CB-CD1 4.21Å; D81-L113 HydrophobicContact CB-CD2 4.14Å; V82-L113 HydrophobicContact CB-CD1 4.49Å; V82-L113 HydrophobicContact CG2-CD1 3.61Å; V109-L113 HydrophobicContact CG1-CD1 4.02Å; V109-L113 HydrophobicContact CG1-CG 4.5Å; V109-L113 WeakPolarHBondContact O-CG 3.48Å; V109-L113 PolarHBondContact O-N 3.33Å; L110-L113 PolarHBondContact O-N 2.85Å; L113-K115 VanDerWaalsContact C-N 3.28Å; L113-K115 PolarHBondContact O-N 3.25Å; L113-Y116 WeakPolarHBondContact O-CB 3.33Å; L113-Y116 PolarHBondContact O-N 2.86Å; L113-Y116 VanDerWaalsContact O-N 3.08Å; L113-Y117 HydrophobicContact CD2-CE2 4.5Å; L113-Y117 WeakPolarHBondContact O-CD2 3.42Å; L113-Y117 PolarHBondContact O-N 3.34Å |
| 114 | M | 93 | Very high | 88 | Confident | 1 Ų | 1 | 58.5 Ų | 58.5 | 1% | 0.005 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -56.4 | -44.3 | 173.8 | -72 | 175.4 | 75.5 | 0 | 0 | 111.1 | I3 Y4 T6 C18 T20 L78 L110 Y116 N118 | I3-M114 HydrophobicContact CG2-CE 4.07Å; Y4-M114 VanDerWaalsContact C-CE 3.46Å; T6-M114 WeakPolarHBondContact OG1-CG 3.46Å; T6-M114 PolarHBondContact OG1-SD 3.47Å; T6-M114 VanDerWaalsContact OG1-SD 3.4Å; C18-M114 HydrophobicContact CB-SD 3.9Å; T20-M114 HydrophobicContact CG2-CE 3.68Å; L78-M114 HydrophobicContact CD2-CG 4.35Å; L110-M114 WeakPolarHBondContact O-CB 3.36Å; L110-M114 VanDerWaalsContact O-CG 3.23Å; L110-M114 WeakPolarHBondContact O-CG 3.41Å; L110-M114 PolarHBondContact O-N 2.85Å; M114-Y116 PolarHBondContact O-N 2.95Å; M114-N118 WeakPolarHBondContact O-CB 3.45Å; M114-N118 PolarHBondContact O-N 2.8Å; M114-N118 PolarHBondContact O-ND2 2.84Å |
| 115 | K | 92 | Very high | 86.7 | Confident | 151 Ų | 151 | 56.4 Ų | 56.4 | 66% | 0.657 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -61.9 | -42.1 | 175.3 | -175.6 | 177.3 | -179.5 | 177.5 | 0 | 112.1 | A111 R112 L113 D119 | A111-K115 VanDerWaalsContact O-CB 3.32Å; A111-K115 WeakPolarHBondContact O-CB 3.41Å; A111-K115 PolarHBondContact O-N 2.89Å; R112-K115 PolarHBondContact O-N 2.85Å; L113-K115 VanDerWaalsContact C-N 3.28Å; L113-K115 PolarHBondContact O-N 3.25Å; K115-D119 PolarHBondContact O-N 3.23Å |
| 116 | Y | 91.6 | Very high | 85.1 | Confident | 111 Ų | 111 | 58.3 Ų | 58.3 | 44% | 0.435 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -61.6 | -50.2 | 178.7 | 177.3 | -96.9 | 0 | 0 | 0 | 111.8 | R112 L113 M114 D119 N122 | R112-Y116 PolarHBondContact O-N 3.02Å; L113-Y116 WeakPolarHBondContact O-CB 3.33Å; L113-Y116 PolarHBondContact O-N 2.86Å; L113-Y116 VanDerWaalsContact O-N 3.08Å; M114-Y116 PolarHBondContact O-N 2.95Å; Y116-D119 WeakPolarHBondContact O-CB 3.32Å; Y116-D119 PolarHBondContact O-N 3.37Å; Y116-N122 HydrophobicContact CD2-CB 4.4Å; Y116-N122 WeakPolarHBondContact CD2-ND2 3.23Å; Y116-N122 HydrophobicContact CE1-CB 4.23Å; Y116-N122 HydrophobicContact CE2-CB 4.01Å; Y116-N122 VanDerWaalsContact CE2-CG 3.48Å; Y116-N122 WeakPolarHBondContact CE2-ND2 3.36Å; Y116-N122 WeakPolarHBondContact O-CB 3.36Å; Y116-N122 PolarHBondContact O-ND2 3.12Å |
| 117 | Y | 92.5 | Very high | 83 | Confident | 22 Ų | 22 | 66.5 Ų | 66.5 | 9% | 0.086 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -76.3 | -23 | -178.1 | -77.6 | -76.9 | 0 | 0 | 0 | 114 | F70 S74 N77 L78 D81 L113 D119 | F70-Y117 WeakPolarHBondContact CZ-O 3.3Å; S74-Y117 WeakPolarHBondContact O-CD1 3.29Å; N77-Y117 HydrophobicContact CB-CD1 4.33Å; N77-Y117 HydrophobicContact CB-CE1 3.41Å; N77-Y117 VanDerWaalsContact CB-CE1 3.41Å; L78-Y117 VanDerWaalsContact CA-CE2 3.46Å; L78-Y117 HydrophobicContact CB-CD1 4.42Å; L78-Y117 HydrophobicContact CB-CD2 3.58Å; L78-Y117 HydrophobicContact CB-CE2 3.98Å; L78-Y117 HydrophobicContact CB-CG 3.83Å; L78-Y117 HydrophobicContact CD1-CD2 3.63Å; L78-Y117 HydrophobicContact CD1-CE2 4.21Å; L78-Y117 HydrophobicContact CD1-CG 4.44Å; L78-Y117 HydrophobicContact CG-CD2 4.21Å; D81-Y117 VanDerWaalsContact OD2-CE2 3.28Å; D81-Y117 WeakPolarHBondContact OD2-CE2 3.45Å; D81-Y117 PolarHBondContact OD2-OH 2.9Å; L113-Y117 HydrophobicContact CD2-CE2 4.5Å; L113-Y117 WeakPolarHBondContact O-CD2 3.42Å; L113-Y117 PolarHBondContact O-N 3.34Å; Y117-D119 VanDerWaalsContact C-N 3.27Å |
| 118 | N | 91.6 | Very high | 81.1 | Confident | 17 Ų | 17 | 72.7 Ų | 72.7 | 9% | 0.091 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -74.9 | -15.1 | 171.5 | -81.3 | -24.1 | 0 | 0 | 0 | 113.5 | P2 I3 M114 P120 | P2-N118 WeakPolarHBondContact CD-OD1 3.43Å; P2-N118 VanDerWaalsContact CG-OD1 3.28Å; P2-N118 WeakPolarHBondContact CG-OD1 3.18Å; I3-N118 WeakPolarHBondContact CA-OD1 3.22Å; I3-N118 WeakPolarHBondContact CB-OD1 3.48Å; I3-N118 WeakPolarHBondContact CG1-OD1 2.78Å; I3-N118 PolarHBondContact N-OD1 3.39Å; I3-N118 PolarHBondContact O-ND2 2.78Å; M114-N118 WeakPolarHBondContact O-CB 3.45Å; M114-N118 PolarHBondContact O-N 2.8Å; M114-N118 PolarHBondContact O-ND2 2.84Å; N118-P120 WeakPolarHBondContact O-CD 3.14Å |
| 119 | D | 89.1 | Confident | 79.1 | Confident | 35 Ų | 35 | 74 Ų | 74 | 19% | 0.187 | 37% | 0.366 | C | S | . | . | trans | -80.2 | 117.4 | 179.6 | -170.1 | -26.2 | 0 | 0 | 0 | 110 | K115 Y116 Y117 R121 N122 | K115-D119 PolarHBondContact O-N 3.23Å; Y116-D119 WeakPolarHBondContact O-CB 3.32Å; Y116-D119 PolarHBondContact O-N 3.37Å; Y117-D119 VanDerWaalsContact C-N 3.27Å; D119-R121 PolarHBondContact O-N 2.88Å; D119-R121 VanDerWaalsContact OD1-CB 3.27Å; D119-R121 WeakPolarHBondContact OD1-CB 3.5Å; D119-R121 WeakPolarHBondContact OD1-CG 3.47Å; D119-R121 IonicContact OD1-CZ 3.96Å; D119-R121 PolarHBondContact OD1-N 2.81Å; D119-R121 IonicContact OD1-NE 3.92Å; D119-R121 PolarHBondContact OD1-NE 2.89Å; D119-R121 IonicContact OD1-NH2 3.89Å; D119-R121 IonicContact OD2-CZ 2.68Å; D119-R121 VanDerWaalsContact OD2-CZ 3.3Å; D119-R121 IonicContact OD2-NE 3.3Å; D119-R121 PolarHBondContact OD2-NE 2.86Å; D119-R121 VanDerWaalsContact OD2-NE 3.1Å; D119-R121 IonicContact OD2-NH2 3.01Å; D119-R121 PolarHBondContact OD2-NH2 2.84Å; D119-N122 PolarHBondContact O-N 3.36Å | ||
| 120 | P | 84.1 | Confident | 77.1 | Confident | 102 Ų | 102 | 80.5 Ų | 80.5 | 66% | 0.662 | 40% | 0.4 | S | S | * | . | G | 310 helix | trans | -60.9 | -21.8 | -178.7 | 25.3 | -34.7 | 0 | 0 | 0 | 113 | N118 N122 S123 | N118-P120 WeakPolarHBondContact O-CD 3.14Å; P120-N122 PolarHBondContact O-N 2.61Å; P120-S123 WeakPolarHBondContact O-CB 3.06Å; P120-S123 PolarHBondContact O-N 3.32Å; P120-S123 PolarHBondContact O-OG 3.45Å |
| 121 | R | 85 | Confident | 75.1 | Confident | 208 Ų | 208 | 83.6 Ų | 83.6 | 79% | 0.785 | 43% | 0.432 | S | S | * | . | G | 310 helix | trans | -69.2 | -23.2 | 176.2 | -59.6 | 175.7 | -66.4 | 179.6 | 3.1 | 113.1 | D119 | D119-R121 PolarHBondContact O-N 2.88Å; D119-R121 VanDerWaalsContact OD1-CB 3.27Å; D119-R121 WeakPolarHBondContact OD1-CB 3.5Å; D119-R121 WeakPolarHBondContact OD1-CG 3.47Å; D119-R121 IonicContact OD1-CZ 3.96Å; D119-R121 PolarHBondContact OD1-N 2.81Å; D119-R121 IonicContact OD1-NE 3.92Å; D119-R121 PolarHBondContact OD1-NE 2.89Å; D119-R121 IonicContact OD1-NH2 3.89Å; D119-R121 IonicContact OD2-CZ 2.68Å; D119-R121 VanDerWaalsContact OD2-CZ 3.3Å; D119-R121 IonicContact OD2-NE 3.3Å; D119-R121 PolarHBondContact OD2-NE 2.86Å; D119-R121 VanDerWaalsContact OD2-NE 3.1Å; D119-R121 IonicContact OD2-NH2 3.01Å; D119-R121 PolarHBondContact OD2-NH2 2.84Å |
| 122 | N | 81.3 | Confident | 73.2 | Confident | 48 Ų | 48 | 88.9 Ų | 88.9 | 26% | 0.257 | 45% | 0.453 | S | S | . | . | G | 310 helix | trans | -97.2 | 9.2 | 177.6 | -58.8 | -35 | 0 | 0 | 0 | 112 | Y116 D119 P120 P124 | Y116-N122 HydrophobicContact CD2-CB 4.4Å; Y116-N122 WeakPolarHBondContact CD2-ND2 3.23Å; Y116-N122 HydrophobicContact CE1-CB 4.23Å; Y116-N122 HydrophobicContact CE2-CB 4.01Å; Y116-N122 VanDerWaalsContact CE2-CG 3.48Å; Y116-N122 WeakPolarHBondContact CE2-ND2 3.36Å; Y116-N122 WeakPolarHBondContact O-CB 3.36Å; Y116-N122 PolarHBondContact O-ND2 3.12Å; D119-N122 PolarHBondContact O-N 3.36Å; P120-N122 PolarHBondContact O-N 2.61Å; N122-P124 VanDerWaalsContact O-N 3.17Å |
| 123 | S | 69.4 | Low | 71.3 | Confident | 66 Ų | 66 | 83.1 Ų | 83.1 | 46% | 0.462 | 43% | 0.434 | S | S | . | . | trans | -55.6 | 124.6 | 177.6 | -59 | 0 | 0 | 0 | 0 | 108.6 | P120 G125 | P120-S123 WeakPolarHBondContact O-CB 3.06Å; P120-S123 PolarHBondContact O-N 3.32Å; P120-S123 PolarHBondContact O-OG 3.45Å; S123-G125 PolarHBondContact O-N 2.64Å | ||
| 124 | P | 62.9 | Low | 69.5 | Low | 24 Ų | 24 | 90.6 Ų | 90.6 | 16% | 0.156 | 47% | 0.466 | C | S | . | . | trans | -60.5 | 114.5 | 179.2 | 23 | -31.2 | 0 | 0 | 0 | 108.1 | L73 N122 Q128 | L73-P124 HydrophobicContact CD2-CB 4.4Å; L73-P124 HydrophobicContact CD2-CG 4Å; L73-P124 HydrophobicContact CG-CG 4.22Å; N122-P124 VanDerWaalsContact O-N 3.17Å; P124-Q128 HydrophobicContact CB-CB 4.41Å | ||
| 125 | G | 60.6 | Low | 68.1 | Low | 39 Ų | 39 | 94.5 Ų | 94.5 | 40% | 0.402 | 49% | 0.486 | S | S | . | . | trans | -58.1 | 153.7 | 168.4 | 0 | 0 | 0 | 0 | 0 | 108.8 | S123 Q127 Q128 | S123-G125 PolarHBondContact O-N 2.64Å; G125-Q127 PolarHBondContact O-N 2.71Å; G125-Q128 PolarHBondContact O-N 2.91Å | ||
| 126 | I | 53.2 | Low | 67.3 | Low | 147 Ų | 147 | 88.7 Ų | 88.7 | 75% | 0.754 | 46% | 0.463 | S | S | * | . | G | 310 helix | trans | -51.1 | -22.9 | -179.3 | -151.8 | 75.8 | 0 | 0 | 0 | 113.1 | I129 | I126-I129 HydrophobicContact CD1-CD1 4.02Å; I126-I129 HydrophobicContact CG1-CD1 4.25Å; I126-I129 WeakPolarHBondContact O-CD1 3.47Å; I126-I129 WeakPolarHBondContact O-CG1 3.47Å |
| 127 | Q | 49.9 | Very low | 66.4 | Low | 176 Ų | 176 | 92 Ų | 92 | 82% | 0.822 | 48% | 0.479 | S | S | * | . | G | 310 helix | trans | -81.7 | -17.8 | -178.7 | -65.3 | 175.8 | -12.3 | 0 | 0 | 114.8 | G125 I129 | G125-Q127 PolarHBondContact O-N 2.71Å; Q127-I129 PolarHBondContact O-N 3.33Å |
| 128 | Q | 50.8 | Low | 65.9 | Low | 132 Ų | 132 | 93.3 Ų | 93.3 | 62% | 0.617 | 49% | 0.491 | S | S | * | . | G | 310 helix | trans | -81.9 | 3.5 | 178.2 | -76.4 | -176.2 | -39.4 | 0 | 0 | 113.5 | P124 G125 D130 | P124-Q128 HydrophobicContact CB-CB 4.41Å; G125-Q128 PolarHBondContact O-N 2.91Å; Q128-D130 VanDerWaalsContact C-N 3.31Å; Q128-D130 PolarHBondContact O-N 2.98Å |
| 129 | I | 50.4 | Low | 65.5 | Low | 69 Ų | 69 | 93.2 Ų | 93.2 | 35% | 0.354 | 49% | 0.491 | S | S | . | . | G | 310 helix | trans | -70.5 | -23.7 | -175.6 | -65.4 | 177.6 | 0 | 0 | 0 | 112.6 | L73 I126 Q127 G131 | L73-I129 HydrophobicContact CD2-CD1 4.12Å; L73-I129 HydrophobicContact CD2-CG1 3.91Å; I126-I129 HydrophobicContact CD1-CD1 4.02Å; I126-I129 HydrophobicContact CG1-CD1 4.25Å; I126-I129 WeakPolarHBondContact O-CD1 3.47Å; I126-I129 WeakPolarHBondContact O-CG1 3.47Å; Q127-I129 PolarHBondContact O-N 3.33Å; I129-G131 VanDerWaalsContact C-N 3.34Å; I129-G131 PolarHBondContact O-N 2.91Å |
| 130 | D | 49.6 | Very low | 65.3 | Low | 163 Ų | 163 | 95 Ų | 95 | 87% | 0.872 | 50% | 0.499 | S | S | * | . | G | 310 helix | trans | -72.1 | -21.3 | -171.7 | -80.5 | -16.7 | 0 | 0 | 0 | 115 | Q128 | Q128-D130 VanDerWaalsContact C-N 3.31Å; Q128-D130 PolarHBondContact O-N 2.98Å |
| 131 | G | 52.2 | Low | 65.4 | Low | 65 Ų | 65 | 94.6 Ų | 94.6 | 67% | 0.67 | 49% | 0.491 | S | S | * | . | S | Bend | trans | -94.1 | -37.2 | -163.9 | 0 | 0 | 0 | 0 | 0 | 116.9 | I129 | I129-G131 VanDerWaalsContact C-N 3.34Å; I129-G131 PolarHBondContact O-N 2.91Å |
| 132 | Q | 51.7 | Low | 65.4 | Low | 135 Ų | 135 | 89.1 Ų | 89.1 | 63% | 0.631 | 47% | 0.47 | S | S | * | . | S | Bend | trans | -140.9 | -25.2 | -160.8 | -64.9 | -171.8 | 30.7 | 0 | 0 | 116.3 | ||
| 133 | V | 52.5 | Low | 65.4 | Low | 24 Ų | 24 | 90.9 Ų | 90.9 | 15% | 0.145 | 48% | 0.479 | C | S | . | . | trans | -114.1 | 101.8 | -178.3 | 176.1 | 0 | 0 | 0 | 0 | 111.9 | L73 F76 N77 D135 L136 | L73-V133 HydrophobicContact CD1-CB 4.17Å; L73-V133 HydrophobicContact CD1-CG1 3.86Å; F76-V133 HydrophobicContact CB-CG1 4.29Å; N77-V133 HydrophobicContact CB-CG2 4.24Å; N77-V133 VanDerWaalsContact OD1-CB 3.28Å; N77-V133 WeakPolarHBondContact OD1-CB 3.36Å; N77-V133 WeakPolarHBondContact OD1-CG2 3.26Å; V133-D135 PolarHBondContact O-N 3.44Å; V133-L136 HydrophobicContact CG1-CD2 4.31Å | ||
| 134 | K | 55.5 | Low | 65.5 | Low | 168 Ų | 168 | 87.9 Ų | 87.9 | 73% | 0.73 | 46% | 0.458 | S | S | * | . | trans | -32 | 123.2 | 162 | -143.9 | 176.8 | -173 | -177 | 0 | 109.5 | L136 | K134-L136 PolarHBondContact O-N 3.09Å; K134-L136 VanDerWaalsContact O-N 3.07Å | ||
| 135 | D | 64.4 | Low | 65.6 | Low | 82 Ų | 82 | 91.4 Ų | 91.4 | 44% | 0.439 | 48% | 0.476 | S | S | . | . | trans | -31.8 | 113.5 | 179.1 | -170.5 | -9.7 | 0 | 0 | 0 | 112.2 | V133 K137 S138 | V133-D135 PolarHBondContact O-N 3.44Å; D135-K137 PolarHBondContact O-N 3Å; D135-K137 VanDerWaalsContact OD1-CB 3.25Å; D135-K137 WeakPolarHBondContact OD1-CB 3.43Å; D135-K137 WeakPolarHBondContact OD1-CG 3.19Å; D135-K137 PolarHBondContact OD1-N 2.76Å; D135-K137 IonicContact OD1-NZ 2.77Å; D135-K137 WeakPolarHBondContact OD2-CD 3.45Å; D135-K137 WeakPolarHBondContact OD2-CE 3.34Å; D135-K137 IonicContact OD2-NZ 3.5Å; D135-K137 PolarHBondContact OD2-NZ 2.86Å; D135-S138 PolarHBondContact O-N 2.88Å; D135-S138 PolarHBondContact O-OG 3.45Å | ||
| 136 | L | 74 | Confident | 65.3 | Low | 30 Ų | 30 | 93 Ų | 93 | 16% | 0.157 | 49% | 0.485 | C | S | . | . | G | 310 helix | trans | -58.6 | -15.1 | 178.1 | -76.1 | -174.8 | 0 | 0 | 0 | 111.9 | R72 L73 F76 V133 K134 S138 V139 | R72-L136 HydrophobicContact CB-CD1 4.3Å; R72-L136 HydrophobicContact CG-CD1 3.91Å; R72-L136 PolarHBondContact NH2-O 3.09Å; L73-L136 HydrophobicContact CB-CD1 4.03Å; L73-L136 HydrophobicContact CD1-CD1 4.1Å; L73-L136 HydrophobicContact CD1-CG 4.36Å; F76-L136 HydrophobicContact CB-CD2 3.87Å; F76-L136 HydrophobicContact CD1-CD2 4.39Å; F76-L136 HydrophobicContact CD2-CD2 3.47Å; F76-L136 VanDerWaalsContact CD2-CD2 3.47Å; F76-L136 HydrophobicContact CE2-CD2 4.12Å; F76-L136 HydrophobicContact CG-CD2 3.64Å; V133-L136 HydrophobicContact CG1-CD2 4.31Å; K134-L136 PolarHBondContact O-N 3.09Å; K134-L136 VanDerWaalsContact O-N 3.07Å; L136-S138 PolarHBondContact O-N 3.3Å; L136-V139 HydrophobicContact CD2-CG2 3.97Å; L136-V139 WeakPolarHBondContact O-CB 3.37Å; L136-V139 PolarHBondContact O-N 3.29Å |
| 137 | K | 74.2 | Confident | 65.1 | Low | 181 Ų | 181 | 87.6 Ų | 87.6 | 79% | 0.787 | 46% | 0.457 | S | S | * | . | G | 310 helix | trans | -52.1 | -29.7 | 174.1 | -72.9 | 175.9 | -144.9 | 141.5 | 0 | 113.9 | D135 V139 | D135-K137 PolarHBondContact O-N 3Å; D135-K137 VanDerWaalsContact OD1-CB 3.25Å; D135-K137 WeakPolarHBondContact OD1-CB 3.43Å; D135-K137 WeakPolarHBondContact OD1-CG 3.19Å; D135-K137 PolarHBondContact OD1-N 2.76Å; D135-K137 IonicContact OD1-NZ 2.77Å; D135-K137 WeakPolarHBondContact OD2-CD 3.45Å; D135-K137 WeakPolarHBondContact OD2-CE 3.34Å; D135-K137 IonicContact OD2-NZ 3.5Å; D135-K137 PolarHBondContact OD2-NZ 2.86Å; K137-V139 VanDerWaalsContact C-N 3.33Å |
| 138 | S | 80.3 | Confident | 65 | Low | 48 Ų | 48 | 83.4 Ų | 83.4 | 34% | 0.336 | 45% | 0.453 | S | S | . | . | G | 310 helix | trans | -79 | -13.8 | 178.8 | 63.8 | 0 | 0 | 0 | 0 | 114.5 | D135 L136 M140 | D135-S138 PolarHBondContact O-N 2.88Å; D135-S138 PolarHBondContact O-OG 3.45Å; L136-S138 PolarHBondContact O-N 3.3Å; S138-M140 PolarHBondContact O-N 2.87Å |
| 139 | V | 84 | Confident | 65.2 | Low | 15 Ų | 15 | 86.1 Ų | 86.1 | 9% | 0.091 | 47% | 0.466 | C | S | . | . | S | Bend | trans | -79.3 | 121.8 | -177.9 | 162.9 | 0 | 0 | 0 | 0 | 109.9 | G42 R72 F76 L136 K137 | G42-V139 VanDerWaalsContact O-CA 3.26Å; G42-V139 WeakPolarHBondContact O-CA 3.48Å; G42-V139 WeakPolarHBondContact O-CG1 3.48Å; R72-V139 VanDerWaalsContact NH2-CB 3.31Å; R72-V139 PolarHBondContact NH2-O 2.85Å; F76-V139 HydrophobicContact CD1-CG2 4.45Å; F76-V139 HydrophobicContact CE1-CG1 4.24Å; F76-V139 HydrophobicContact CE1-CG2 3.96Å; F76-V139 HydrophobicContact CE2-CG1 3.78Å; F76-V139 HydrophobicContact CE2-CG2 4.38Å; F76-V139 HydrophobicContact CZ-CB 4.3Å; F76-V139 HydrophobicContact CZ-CG1 3.42Å; F76-V139 VanDerWaalsContact CZ-CG1 3.42Å; F76-V139 HydrophobicContact CZ-CG2 3.93Å; L136-V139 HydrophobicContact CD2-CG2 3.97Å; L136-V139 WeakPolarHBondContact O-CB 3.37Å; L136-V139 PolarHBondContact O-N 3.29Å; K137-V139 VanDerWaalsContact C-N 3.33Å |
| 140 | M | 85.2 | Confident | 65.3 | Low | 73 Ų | 73 | 92.7 Ų | 92.7 | 36% | 0.36 | 49% | 0.486 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 138 | 178.6 | -81.5 | -178.2 | -100.5 | 0 | 0 | 111.2 | L39 G42 V43 T44 S138 | L39-M140 HydrophobicContact CD2-CE 3.17Å; L39-M140 HydrophobicContact CD2-SD 3.85Å; L39-M140 HydrophobicContact CG-CE 3.56Å; G42-M140 PolarHBondContact O-N 3.43Å; G42-M140 VanDerWaalsContact O-N 3.13Å; V43-M140 CarbonylContact C-O 3.52Å; V43-M140 WeakPolarHBondContact CA-O 3.29Å; V43-M140 HydrophobicContact CG2-CB 4.3Å; T44-M140 PolarHBondContact N-O 3.49Å; S138-M140 PolarHBondContact O-N 2.87Å |
| 141 | I | 86.4 | Confident | 65.5 | Low | 93 Ų | 93 | 88.3 Ų | 88.3 | 48% | 0.477 | 48% | 0.479 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 128.6 | 170.6 | -53.4 | 175.5 | 0 | 0 | 0 | 107.5 | T44 R72 | T44-I141 CarbonylContact O-C 3.54Å; T44-I141 WeakPolarHBondContact O-CA 3.3Å; R72-I141 VanDerWaalsContact NH1-CD1 3.25Å; R72-I141 VanDerWaalsContact NH1-CG1 3.28Å |
| 142 | R | 84.7 | Confident | 65.9 | Low | 93 Ų | 93 | 91.9 Ų | 91.9 | 35% | 0.351 | 48% | 0.479 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 151.3 | 175.6 | -65.3 | -176.4 | 179.5 | -170.7 | -0.6 | 108.8 | V43 T44 Y45 R46 | V43-R142 HydrophobicContact CG2-CG 4.43Å; T44-R142 PolarHBondContact O-N 2.95Å; Y45-R142 CarbonylContact C-O 3.51Å; Y45-R142 WeakPolarHBondContact CA-O 3.2Å; Y45-R142 HydrophobicContact CD1-CB 3.67Å; Y45-R142 HydrophobicContact CE1-CB 3.75Å; Y45-R142 HydrophobicContact CE1-CG 4.34Å; R46-R142 PolarHBondContact N-O 2.92Å |
| 143 | N | 80.7 | Confident | 66.3 | Low | 85 Ų | 85 | 93 Ų | 93 | 46% | 0.455 | 48% | 0.481 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 143.4 | 165.8 | -68.3 | -1.3 | 0 | 0 | 0 | 108 | D145 | N143-D145 VanDerWaalsContact C-N 3.25Å |
| 144 | I | 72.6 | Confident | 66.8 | Low | 3 Ų | 3 | 92.2 Ų | 92.2 | 2% | 0.015 | 48% | 0.476 | C | S | . | . | S | Bend | trans | -82.7 | -5.8 | 177.3 | -150.6 | 171.3 | 0 | 0 | 0 | 112.6 | V32 K35 R46 H47 A146 L147 L154 | V32-I144 HydrophobicContact CG2-CD1 3.74Å; K35-I144 HydrophobicContact CD-CG1 4.26Å; R46-I144 PolarHBondContact O-N 3.07Å; H47-I144 HydrophobicContact CB-CB 4.47Å; H47-I144 HydrophobicContact CB-CG2 3.36Å; H47-I144 WeakPolarHBondContact ND1-CG2 3.4Å; I144-A146 PolarHBondContact O-N 2.9Å; I144-L147 HydrophobicContact CD1-CD1 4.37Å; I144-L147 HydrophobicContact CG1-CD1 4.14Å; I144-L147 HydrophobicContact CG1-CG 4.45Å; I144-L147 HydrophobicContact CG2-CD1 4.14Å; I144-L147 WeakPolarHBondContact O-CG 3.25Å; I144-L147 PolarHBondContact O-N 3.4Å; I144-L154 HydrophobicContact CD1-CD2 4.16Å |
| 145 | D | 65.6 | Low | 67.6 | Low | 99 Ų | 99 | 88.8 Ų | 88.8 | 53% | 0.529 | 46% | 0.463 | S | S | . | . | trans | -51 | -15 | -174.7 | -62.9 | -35.7 | 0 | 0 | 0 | 115.3 | H47 N143 L147 | H47-D145 IonicContact ND1-OD1 3.77Å; N143-D145 VanDerWaalsContact C-N 3.25Å; D145-L147 PolarHBondContact O-N 2.8Å | ||
| 146 | A | 52.7 | Low | 68 | Low | 71 Ų | 71 | 85.5 Ų | 85.5 | 59% | 0.587 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | 20.7 | 167.1 | 0 | 0 | 0 | 0 | 0 | 114 | K35 I144 A148 | K35-A146 PolarHBondContact NZ-O 2.93Å; I144-A146 PolarHBondContact O-N 2.9Å; A146-A148 VanDerWaalsContact C-N 3.29Å |
| 147 | L | 49.8 | Very low | 68.2 | Low | 34 Ų | 34 | 89.2 Ų | 89.2 | 18% | 0.178 | 46% | 0.464 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.1 | 1.2 | 172.1 | -76.1 | 167.5 | 0 | 0 | 0 | 113.2 | K35 I144 D145 E149 L154 | K35-L147 VanDerWaalsContact NZ-CD2 3.28Å; K35-L147 VanDerWaalsContact NZ-CG 3.29Å; I144-L147 HydrophobicContact CD1-CD1 4.37Å; I144-L147 HydrophobicContact CG1-CD1 4.14Å; I144-L147 HydrophobicContact CG1-CG 4.45Å; I144-L147 HydrophobicContact CG2-CD1 4.14Å; I144-L147 WeakPolarHBondContact O-CG 3.25Å; I144-L147 PolarHBondContact O-N 3.4Å; D145-L147 PolarHBondContact O-N 2.8Å; L147-E149 VanDerWaalsContact C-N 3.3Å; L147-E149 PolarHBondContact O-N 3.22Å; L147-L154 HydrophobicContact CD1-CB 3.39Å; L147-L154 HydrophobicContact CD1-CD2 3.79Å; L147-L154 HydrophobicContact CD1-CG 4.25Å |
| 148 | A | 48.6 | Very low | 68.3 | Low | 88 Ų | 88 | 81.9 Ų | 81.9 | 73% | 0.727 | 43% | 0.433 | S | S | * | . | G | 310 helix | trans | -66.7 | -26.3 | 174 | 0 | 0 | 0 | 0 | 0 | 114 | A146 R150 | A146-A148 VanDerWaalsContact C-N 3.29Å; A148-R150 VanDerWaalsContact C-N 3.28Å; A148-R150 PolarHBondContact O-N 3.35Å |
| 149 | E | 53.1 | Low | 68.2 | Low | 190 Ų | 190 | 83.4 Ų | 83.4 | 89% | 0.888 | 44% | 0.438 | S | S | * | . | G | 310 helix | trans | -67.1 | -22 | -172.5 | -91.3 | -177 | 174.3 | 0 | 0 | 114.8 | L147 | L147-E149 VanDerWaalsContact C-N 3.3Å; L147-E149 PolarHBondContact O-N 3.22Å |
| 150 | R | 52.4 | Low | 67.4 | Low | 207 Ų | 207 | 88.9 Ų | 88.9 | 78% | 0.781 | 46% | 0.456 | S | S | * | . | G | 310 helix | trans | -118.1 | 6.4 | -178.6 | -70.4 | -172.5 | -180 | 172 | 0.2 | 115 | E34 A148 E152 | E34-R150 IonicContact OE2-NH1 3.81Å; A148-R150 VanDerWaalsContact C-N 3.28Å; A148-R150 PolarHBondContact O-N 3.35Å; R150-E152 PolarHBondContact O-N 3.31Å |
| 151 | G | 55.6 | Low | 66.6 | Low | 71 Ų | 71 | 88.9 Ų | 88.9 | 73% | 0.732 | 46% | 0.464 | S | S | * | . | S | Bend | trans | 72.5 | -9.5 | 172.6 | 0 | 0 | 0 | 0 | 0 | 116.6 | K153 | G151-K153 PolarHBondContact O-N 3.49Š|
| 152 | E | 59.7 | Low | 65.1 | Low | 140 Ų | 140 | 93.3 Ų | 93.3 | 65% | 0.654 | 48% | 0.483 | S | S | * | . | trans | -82.9 | 103 | 172.5 | -70.3 | -175.5 | -176.8 | 0 | 0 | 110.3 | R150 L154 | R150-E152 PolarHBondContact O-N 3.31Å; E152-L154 PolarHBondContact O-N 3.03Å | ||
| 153 | K | 61.2 | Low | 63.6 | Low | 159 Ų | 159 | 90.5 Ų | 90.5 | 69% | 0.691 | 48% | 0.477 | S | S | * | . | trans | -65.9 | 114 | 170.4 | -174.7 | -173 | 176.7 | -154.3 | 0 | 108.5 | G151 E155 | G151-K153 PolarHBondContact O-N 3.49Å; K153-E155 IonicContact NZ-OE1 2.73Å; K153-E155 PolarHBondContact NZ-OE1 2.8Å; K153-E155 PolarHBondContact O-N 2.97Å; K153-E155 VanDerWaalsContact O-N 3.09Å | ||
| 154 | L | 62.9 | Low | 62.1 | Low | 6 Ų | 6 | 93.2 Ų | 93.2 | 3% | 0.031 | 49% | 0.491 | C | S | . | . | trans | -68.3 | 105.8 | 166.5 | 178.2 | 58.3 | 0 | 0 | 0 | 109.1 | V28 H47 I144 L147 E152 | V28-L154 HydrophobicContact CB-CD1 4.22Å; V28-L154 HydrophobicContact CG1-CD1 4.32Å; V28-L154 HydrophobicContact CG1-CD2 3.87Å; V28-L154 HydrophobicContact CG2-CD1 3.56Å; V28-L154 HydrophobicContact CG2-CG 4.45Å; H47-L154 PolarHBondContact NE2-O 2.95Å; I144-L154 HydrophobicContact CD1-CD2 4.16Å; L147-L154 HydrophobicContact CD1-CB 3.39Å; L147-L154 HydrophobicContact CD1-CD2 3.79Å; L147-L154 HydrophobicContact CD1-CG 4.25Å; E152-L154 PolarHBondContact O-N 3.03Å | ||
| 155 | E | 70.8 | Confident | 61.2 | Low | 96 Ų | 96 | 98.4 Ų | 98.4 | 45% | 0.449 | 52% | 0.515 | S | S | . | . | trans | -101.8 | 100.7 | 173.1 | -166.5 | 149.6 | -105.9 | 0 | 0 | 108.7 | N24 K153 L157 | N24-E155 PolarHBondContact ND2-O 3Å; K153-E155 IonicContact NZ-OE1 2.73Å; K153-E155 PolarHBondContact NZ-OE1 2.8Å; K153-E155 PolarHBondContact O-N 2.97Å; K153-E155 VanDerWaalsContact O-N 3.09Å; E155-L157 HydrophobicContact CG-CD1 4.38Å; E155-L157 HydrophobicContact CG-CD2 4.05Å; E155-L157 HydrophobicContact CG-CG 4.02Å; E155-L157 PolarHBondContact O-N 2.81Å | ||
| 156 | F | 72.6 | Confident | 60.6 | Low | 13 Ų | 13 | 94.8 Ų | 94.8 | 6% | 0.057 | 50% | 0.499 | C | S | . | . | trans | -81.1 | 111.5 | 177 | -177.6 | -119.3 | 0 | 0 | 0 | 110.1 | N24 F25 V28 Y50 I65 I158 | N24-F156 WeakPolarHBondContact OD1-CA 3.34Å; N24-F156 WeakPolarHBondContact OD1-CD2 3.5Å; F25-F156 AromaticContact CD1-CE2 3.43Å; F25-F156 HydrophobicContact CD1-CE2 3.43Å; F25-F156 VanDerWaalsContact CD1-CE2 3.43Å; F25-F156 AromaticContact CD1-CZ 3.57Å; F25-F156 HydrophobicContact CD1-CZ 3.57Å; F25-F156 AromaticContact CE1-CE2 3.67Å; F25-F156 HydrophobicContact CE1-CE2 3.67Å; F25-F156 AromaticContact CE1-CZ 3.38Å; F25-F156 HydrophobicContact CE1-CZ 3.38Å; F25-F156 HydrophobicContact CG-CE2 4.29Å; F25-F156 HydrophobicContact CZ-CZ 4.4Å; V28-F156 HydrophobicContact CG2-CD2 3.54Å; V28-F156 HydrophobicContact CG2-CE2 4.18Å; V28-F156 HydrophobicContact CG2-CG 4.43Å; Y50-F156 HydrophobicContact CD1-CD1 4.19Å; Y50-F156 AromaticContact CD1-CE1 3.56Å; Y50-F156 HydrophobicContact CD1-CE1 3.56Å; Y50-F156 AromaticContact CD2-CD1 3.24Å; Y50-F156 HydrophobicContact CD2-CD1 3.24Å; Y50-F156 AromaticContact CD2-CE1 3.52Å; Y50-F156 HydrophobicContact CD2-CE1 3.52Å; Y50-F156 HydrophobicContact CD2-CG 4.47Å; Y50-F156 HydrophobicContact CE1-CD1 4.31Å; Y50-F156 AromaticContact CE1-CE1 3.71Å; Y50-F156 HydrophobicContact CE1-CE1 3.71Å; Y50-F156 AromaticContact CE2-CD1 3.39Å; Y50-F156 HydrophobicContact CE2-CD1 3.39Å; Y50-F156 AromaticContact CE2-CE1 3.66Å; Y50-F156 HydrophobicContact CE2-CE1 3.66Å; Y50-F156 AromaticContact CG-CD1 3.64Å; Y50-F156 HydrophobicContact CG-CD1 3.64Å; Y50-F156 AromaticContact CG-CE1 3.43Å; Y50-F156 HydrophobicContact CG-CE1 3.43Å; Y50-F156 VanDerWaalsContact CG-CE1 3.43Å; Y50-F156 AromaticContact CZ-CD1 3.93Å; Y50-F156 AromaticContact CZ-CE1 3.74Å; I65-F156 HydrophobicContact CD1-CE2 4.41Å; I65-F156 HydrophobicContact CD1-CZ 4.5Å; I65-F156 HydrophobicContact CG2-CE1 4.08Å; I65-F156 HydrophobicContact CG2-CZ 3.69Å; F156-I158 HydrophobicContact CD1-CD1 4.45Å; F156-I158 HydrophobicContact CD1-CG1 4.19Å; F156-I158 HydrophobicContact CE1-CD1 3.39Å; F156-I158 HydrophobicContact CE1-CG1 3.47Å; F156-I158 VanDerWaalsContact CE1-CG1 3.47Å; F156-I158 HydrophobicContact CE2-CG1 4.19Å; F156-I158 HydrophobicContact CZ-CD1 3.5Å; F156-I158 HydrophobicContact CZ-CG1 3.51Å | ||
| 157 | L | 78.2 | Confident | 60.4 | Low | 108 Ų | 108 | 92.9 Ų | 92.9 | 57% | 0.565 | 48% | 0.481 | S | S | * | . | trans | -112.7 | 113.8 | -176.6 | -65.9 | 169 | 0 | 0 | 0 | 108.3 | G23 N24 E155 | G23-L157 WeakPolarHBondContact CA-O 3.39Å; N24-L157 PolarHBondContact N-O 3.42Å; N24-L157 PolarHBondContact OD1-N 3.39Å; N24-L157 PolarHBondContact OD1-O 3.26Å; E155-L157 HydrophobicContact CG-CD1 4.38Å; E155-L157 HydrophobicContact CG-CD2 4.05Å; E155-L157 HydrophobicContact CG-CG 4.02Å; E155-L157 PolarHBondContact O-N 2.81Å | ||
| 158 | I | 77.7 | Confident | 60.1 | Low | 27 Ų | 27 | 96.9 Ų | 96.9 | 14% | 0.138 | 51% | 0.507 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 121.8 | 169 | -68.4 | -170.1 | 0 | 0 | 0 | 108.2 | Y4 T21 F25 Y50 F156 R160 | Y4-I158 HydrophobicContact CD1-CD1 3.9Å; Y4-I158 HydrophobicContact CD2-CD1 3.49Å; Y4-I158 VanDerWaalsContact CD2-CD1 3.49Å; Y4-I158 HydrophobicContact CE1-CD1 4.4Å; Y4-I158 HydrophobicContact CE2-CD1 4.03Å; Y4-I158 HydrophobicContact CG-CD1 3.44Å; Y4-I158 VanDerWaalsContact CG-CD1 3.44Å; T21-I158 HydrophobicContact CG2-CD1 4.35Å; T21-I158 HydrophobicContact CG2-CG2 3.43Å; T21-I158 VanDerWaalsContact CG2-CG2 3.43Å; F25-I158 HydrophobicContact CE1-CD1 3.83Å; F25-I158 HydrophobicContact CE1-CG1 3.96Å; F25-I158 HydrophobicContact CZ-CD1 3.98Å; F25-I158 HydrophobicContact CZ-CG1 3.87Å; Y50-I158 HydrophobicContact CD1-CD1 4.24Å; Y50-I158 HydrophobicContact CE1-CD1 3.48Å; Y50-I158 VanDerWaalsContact CE1-CD1 3.48Å; Y50-I158 HydrophobicContact CE1-CG1 4.41Å; F156-I158 HydrophobicContact CD1-CD1 4.45Å; F156-I158 HydrophobicContact CD1-CG1 4.19Å; F156-I158 HydrophobicContact CE1-CD1 3.39Å; F156-I158 HydrophobicContact CE1-CG1 3.47Å; F156-I158 VanDerWaalsContact CE1-CG1 3.47Å; F156-I158 HydrophobicContact CE2-CG1 4.19Å; F156-I158 HydrophobicContact CZ-CD1 3.5Å; F156-I158 HydrophobicContact CZ-CG1 3.51Å; I158-R160 HydrophobicContact CG2-CG 4.2Å |
| 159 | D | 78.3 | Confident | 59.9 | Low | 81 Ų | 81 | 96.8 Ų | 96.8 | 43% | 0.433 | 49% | 0.494 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 114.7 | 164.6 | 177.7 | 17 | 0 | 0 | 0 | 108.9 | T21 A22 S161 | T21-D159 PolarHBondContact OG1-O 3.32Å; A22-D159 HydrophobicContact CB-CB 4.12Å; A22-D159 PolarHBondContact O-N 2.83Å; D159-S161 VanDerWaalsContact C-N 3.27Å; D159-S161 VanDerWaalsContact OD1-CB 3.22Å; D159-S161 WeakPolarHBondContact OD1-CB 3.44Å; D159-S161 PolarHBondContact OD1-N 3.02Å; D159-S161 PolarHBondContact OD1-OG 3.45Å; D159-S161 WeakPolarHBondContact OD2-CB 3.37Å; D159-S161 PolarHBondContact OD2-OG 2.94Å |
| 160 | R | 65.8 | Low | 59.5 | Low | 129 Ų | 129 | 93.3 Ų | 93.3 | 49% | 0.487 | 49% | 0.486 | S | S | . | . | trans | -82.7 | -1.2 | 179.9 | -60.9 | -67.2 | 179.9 | 121.2 | -0.4 | 113.1 | Y4 Y50 I158 E162 | Y4-R160 VanDerWaalsContact CE1-CZ 3.47Å; Y4-R160 VanDerWaalsContact CZ-CZ 3.46Å; Y4-R160 PolarHBondContact OH-NH1 2.85Å; Y4-R160 PolarHBondContact OH-NH2 3.2Å; Y50-R160 PolarHBondContact OH-NH2 2.86Å; I158-R160 HydrophobicContact CG2-CG 4.2Å; R160-E162 PolarHBondContact O-N 3.5Å | ||
| 161 | S | 69.6 | Low | 59.1 | Low | 73 Ų | 73 | 87.4 Ų | 87.4 | 51% | 0.51 | 47% | 0.466 | S | S | . | . | S | Bend | trans | -55.3 | 130.6 | 167.2 | -54.2 | 0 | 0 | 0 | 0 | 107.9 | D159 S163 | D159-S161 VanDerWaalsContact C-N 3.27Å; D159-S161 VanDerWaalsContact OD1-CB 3.22Å; D159-S161 WeakPolarHBondContact OD1-CB 3.44Å; D159-S161 PolarHBondContact OD1-N 3.02Å; D159-S161 PolarHBondContact OD1-OG 3.45Å; D159-S161 WeakPolarHBondContact OD2-CB 3.37Å; D159-S161 PolarHBondContact OD2-OG 2.94Å; S161-S163 PolarHBondContact O-N 2.86Å; S161-S163 PolarHBondContact O-OG 3.09Å |
| 162 | E | 54.6 | Low | 58.8 | Low | 187 Ų | 187 | 90.3 Ų | 90.3 | 87% | 0.874 | 47% | 0.465 | S | S | * | . | trans | -61.4 | 79.4 | -178.4 | -74.7 | -174 | 160.5 | 0 | 0 | 111.2 | R160 | R160-E162 PolarHBondContact O-N 3.5Š| ||
| 163 | S | 53.8 | Low | 58.3 | Low | 34 Ų | 34 | 87.2 Ų | 87.2 | 24% | 0.238 | 47% | 0.47 | C | S | . | . | trans | -99.2 | 93.7 | 164.7 | 46.7 | 0 | 0 | 0 | 0 | 105.7 | A22 S161 E165 | A22-S163 VanDerWaalsContact CB-OG 3.29Å; A22-S163 WeakPolarHBondContact CB-OG 3.28Å; A22-S163 PolarHBondContact N-OG 2.9Å; A22-S163 VanDerWaalsContact N-OG 3.12Å; S161-S163 PolarHBondContact O-N 2.86Å; S161-S163 PolarHBondContact O-OG 3.09Å; S163-E165 PolarHBondContact O-N 3.3Å | ||
| 164 | L | 49.6 | Very low | 57.6 | Low | 141 Ų | 141 | 86.4 Ų | 86.4 | 74% | 0.738 | 46% | 0.463 | S | S | * | . | trans | -68.3 | 79.1 | 161.1 | -79.9 | 83.5 | 0 | 0 | 0 | 107.5 | A166 | L164-A166 PolarHBondContact O-N 3.13Š| ||
| 165 | E | 52.4 | Low | 57.3 | Low | 112 Ų | 112 | 90.3 Ų | 90.3 | 52% | 0.523 | 49% | 0.487 | S | S | . | . | trans | -72.6 | 56.1 | 153.8 | -74.6 | -156.1 | 161.4 | 0 | 0 | 109.1 | S163 S167 | S163-E165 PolarHBondContact O-N 3.3Å; E165-S167 PolarHBondContact O-N 3.5Å | ||
| 166 | A | 52.4 | Low | 56.6 | Low | 23 Ų | 23 | 95.3 Ų | 95.3 | 19% | 0.19 | 50% | 0.502 | C | S | . | . | trans | -68.6 | 82.6 | 156.9 | 0 | 0 | 0 | 0 | 0 | 105.2 | L164 T168 L169 | L164-A166 PolarHBondContact O-N 3.13Å; A166-T168 VanDerWaalsContact C-N 3.25Å; A166-T168 CarbonylContact O-C 3.56Å; A166-T168 VanDerWaalsContact O-CA 3.3Å; A166-T168 WeakPolarHBondContact O-CA 3.45Å; A166-T168 PolarHBondContact O-N 2.79Å; A166-L169 HydrophobicContact CB-CD1 3.57Å; A166-L169 HydrophobicContact CB-CG 3.77Å; A166-L169 PolarHBondContact O-N 2.9Å; A166-L169 VanDerWaalsContact O-N 3.07Å | ||
| 167 | S | 50.4 | Low | 56.3 | Low | 31 Ų | 31 | 98.5 Ų | 98.5 | 22% | 0.217 | 52% | 0.517 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -18.9 | 87.1 | 179.9 | -73.8 | 0 | 0 | 0 | 0 | 110.1 | E165 L169 | E165-S167 PolarHBondContact O-N 3.5Å; S167-L169 PolarHBondContact O-N 3.46Å |
| 168 | T | 42.7 | Very low | 55.5 | Low | 118 Ų | 118 | 97.1 Ų | 97.1 | 72% | 0.724 | 51% | 0.51 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 24.5 | 83.1 | -171.5 | 50.1 | 0 | 0 | 0 | 0 | 115 | A166 T170 | A166-T168 VanDerWaalsContact C-N 3.25Å; A166-T168 CarbonylContact O-C 3.56Å; A166-T168 VanDerWaalsContact O-CA 3.3Å; A166-T168 WeakPolarHBondContact O-CA 3.45Å; A166-T168 PolarHBondContact O-N 2.79Å; T168-T170 PolarHBondContact O-N 2.9Å |
| 169 | L | 45.1 | Very low | 55 | Low | 87 Ų | 87 | 98.8 Ų | 98.8 | 46% | 0.455 | 53% | 0.528 | S | S | . | . | trans | -62.8 | 39.7 | 160.9 | -77 | 174.8 | 0 | 0 | 0 | 113.1 | V108 A166 S167 F171 | V108-L169 HydrophobicContact CB-CD2 4.35Å; V108-L169 HydrophobicContact CG1-CD2 3.86Å; V108-L169 HydrophobicContact CG2-CD2 3.93Å; A166-L169 HydrophobicContact CB-CD1 3.57Å; A166-L169 HydrophobicContact CB-CG 3.77Å; A166-L169 PolarHBondContact O-N 2.9Å; A166-L169 VanDerWaalsContact O-N 3.07Å; S167-L169 PolarHBondContact O-N 3.46Å; L169-F171 PolarHBondContact O-N 2.81Å | ||
| 170 | T | 43.2 | Very low | 54.5 | Low | 116 Ų | 116 | 101.9 Ų | 101.9 | 71% | 0.712 | 53% | 0.533 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.2 | 52 | 163.4 | 57.5 | 0 | 0 | 0 | 0 | 110 | T168 | T168-T170 PolarHBondContact O-N 2.9Š|
| 171 | F | 45.6 | Very low | 54.8 | Low | 83 Ų | 83 | 101.8 Ų | 101.8 | 36% | 0.364 | 54% | 0.536 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -151.2 | 38.5 | 165.7 | -132.4 | -85 | 0 | 0 | 0 | 116.2 | L169 T175 L178 | L169-F171 PolarHBondContact O-N 2.81Å; F171-T175 HydrophobicContact CE1-CG2 4.12Å; F171-L178 HydrophobicContact CE1-CB 4.41Å; F171-L178 HydrophobicContact CE1-CD2 4.33Å; F171-L178 HydrophobicContact CE2-CD1 3.67Å; F171-L178 HydrophobicContact CE2-CD2 3.92Å; F171-L178 HydrophobicContact CE2-CG 4.21Å; F171-L178 HydrophobicContact CZ-CB 3.7Å; F171-L178 HydrophobicContact CZ-CD1 3.52Å; F171-L178 HydrophobicContact CZ-CD2 3.46Å; F171-L178 VanDerWaalsContact CZ-CD2 3.46Å; F171-L178 HydrophobicContact CZ-CG 3.66Å |
| 172 | N | 48.4 | Very low | 54.9 | Low | 132 Ų | 132 | 103.4 Ų | 103.4 | 71% | 0.706 | 54% | 0.539 | S | S | * | . | S | Bend | trans | -118.4 | 6.8 | 167.1 | -83.2 | -18.7 | 0 | 0 | 0 | 115.3 | ||
| 173 | G | 49.1 | Very low | 55.8 | Low | 75 Ų | 75 | 102.1 Ų | 102.1 | 77% | 0.773 | 53% | 0.527 | S | S | * | . | S | Bend | trans | -115.5 | -10.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||
| 174 | R | 46.8 | Very low | 56.9 | Low | 142 Ų | 142 | 107.9 Ų | 107.9 | 54% | 0.536 | 54% | 0.544 | S | S | . | . | trans | -125 | 15.6 | -168.6 | -71.8 | -172.1 | -172.2 | -136.9 | 14.7 | 114.9 | R176 E177 L178 | R174-R176 PolarHBondContact O-N 3.24Å; R174-E177 HydrophobicContact CB-CB 4.04Å; R174-E177 WeakPolarHBondContact CD-OE2 3.38Å; R174-E177 HydrophobicContact CG-CB 4.29Å; R174-E177 HydrophobicContact CG-CG 4.29Å; R174-E177 IonicContact CZ-OE2 3.9Å; R174-E177 IonicContact NE-OE2 3.89Å; R174-E177 IonicContact NH1-OE1 3.43Å; R174-E177 IonicContact NH1-OE2 2.86Å; R174-E177 PolarHBondContact NH1-OE2 3.44Å; R174-E177 CarbonylContact O-C 3.48Å; R174-E177 WeakPolarHBondContact O-CA 3.31Å; R174-E177 PolarHBondContact O-N 2.9Å; R174-L178 PolarHBondContact O-N 3.37Å | ||
| 175 | T | 55.9 | Low | 58.3 | Low | 88 Ų | 88 | 107.5 Ų | 107.5 | 54% | 0.54 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -57.2 | -36.4 | 173.1 | -8.3 | 0 | 0 | 0 | 0 | 111.4 | F171 A179 | F171-T175 HydrophobicContact CE1-CG2 4.12Å; T175-A179 WeakPolarHBondContact O-CB 3.43Å; T175-A179 PolarHBondContact O-N 3.39Å; T175-A179 VanDerWaalsContact O-N 3.09Å |
| 176 | R | 57.2 | Low | 59.7 | Low | 201 Ų | 201 | 107.8 Ų | 107.8 | 76% | 0.758 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -68.6 | -36.3 | 171.2 | -67.1 | -176.8 | 77.5 | -169.7 | 5.8 | 112.9 | R174 R180 | R174-R176 PolarHBondContact O-N 3.24Å; R176-R180 WeakPolarHBondContact O-CB 3.4Å; R176-R180 PolarHBondContact O-N 2.97Å |
| 177 | E | 65 | Low | 61.2 | Low | 81 Ų | 81 | 108.6 Ų | 108.6 | 38% | 0.379 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -72.1 | -37.6 | 177.7 | -74.5 | -169.8 | -176.6 | 0 | 0 | 112.6 | R174 R180 K181 | R174-E177 HydrophobicContact CB-CB 4.04Å; R174-E177 WeakPolarHBondContact CD-OE2 3.38Å; R174-E177 HydrophobicContact CG-CB 4.29Å; R174-E177 HydrophobicContact CG-CG 4.29Å; R174-E177 IonicContact CZ-OE2 3.9Å; R174-E177 IonicContact NE-OE2 3.89Å; R174-E177 IonicContact NH1-OE1 3.43Å; R174-E177 IonicContact NH1-OE2 2.86Å; R174-E177 PolarHBondContact NH1-OE2 3.44Å; R174-E177 CarbonylContact O-C 3.48Å; R174-E177 WeakPolarHBondContact O-CA 3.31Å; R174-E177 PolarHBondContact O-N 2.9Å; E177-R180 CarbonylContact O-C 3.59Å; E177-R180 PolarHBondContact O-N 3.43Å; E177-K181 WeakPolarHBondContact O-CB 3.34Å; E177-K181 WeakPolarHBondContact O-CG 3.35Å; E177-K181 PolarHBondContact O-N 2.93Å |
| 178 | L | 60.9 | Low | 62.9 | Low | 78 Ų | 78 | 113.7 Ų | 113.7 | 41% | 0.408 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -70.9 | -45.2 | 177.1 | -120.9 | 74.1 | 0 | 0 | 0 | 111.7 | F171 R174 R180 K181 L182 | F171-L178 HydrophobicContact CE1-CB 4.41Å; F171-L178 HydrophobicContact CE1-CD2 4.33Å; F171-L178 HydrophobicContact CE2-CD1 3.67Å; F171-L178 HydrophobicContact CE2-CD2 3.92Å; F171-L178 HydrophobicContact CE2-CG 4.21Å; F171-L178 HydrophobicContact CZ-CB 3.7Å; F171-L178 HydrophobicContact CZ-CD1 3.52Å; F171-L178 HydrophobicContact CZ-CD2 3.46Å; F171-L178 VanDerWaalsContact CZ-CD2 3.46Å; F171-L178 HydrophobicContact CZ-CG 3.66Å; R174-L178 PolarHBondContact O-N 3.37Å; L178-R180 PolarHBondContact O-N 3.29Å; L178-K181 PolarHBondContact O-N 3.01Å; L178-K181 VanDerWaalsContact O-N 3.11Å; L178-L182 WeakPolarHBondContact O-CB 3.43Å; L178-L182 WeakPolarHBondContact O-CG 3.42Å; L178-L182 PolarHBondContact O-N 3.31Å |
| 179 | A | 68.5 | Low | 65.2 | Low | 62 Ų | 62 | 116 Ų | 116 | 51% | 0.512 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -55.6 | -42.8 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | T175 Y183 | T175-A179 WeakPolarHBondContact O-CB 3.43Å; T175-A179 PolarHBondContact O-N 3.39Å; T175-A179 VanDerWaalsContact O-N 3.09Å; A179-Y183 VanDerWaalsContact O-CB 3.3Å; A179-Y183 WeakPolarHBondContact O-CB 3.27Å; A179-Y183 PolarHBondContact O-N 2.83Å |
| 180 | R | 67.6 | Low | 67.3 | Low | 147 Ų | 147 | 114.4 Ų | 114.4 | 56% | 0.555 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -64.3 | -45.7 | 174.5 | -167.3 | -179 | -64.7 | -129.1 | 4.8 | 111.7 | R176 E177 L178 L182 Y183 W184 | R176-R180 WeakPolarHBondContact O-CB 3.4Å; R176-R180 PolarHBondContact O-N 2.97Å; E177-R180 CarbonylContact O-C 3.59Å; E177-R180 PolarHBondContact O-N 3.43Å; L178-R180 PolarHBondContact O-N 3.29Å; R180-L182 PolarHBondContact O-N 3Å; R180-Y183 WeakPolarHBondContact O-CB 3.36Å; R180-Y183 PolarHBondContact O-N 2.78Å; R180-W184 PolarHBondContact O-N 3.48Å |
| 181 | K | 72.7 | Confident | 69.6 | Low | 126 Ų | 126 | 114.5 Ų | 114.5 | 55% | 0.548 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -64.1 | -38.9 | 178.1 | -79.7 | -176.3 | 179.8 | -177.3 | 0 | 112.6 | E177 L178 W184 K185 | E177-K181 WeakPolarHBondContact O-CB 3.34Å; E177-K181 WeakPolarHBondContact O-CG 3.35Å; E177-K181 PolarHBondContact O-N 2.93Å; L178-K181 PolarHBondContact O-N 3.01Å; L178-K181 VanDerWaalsContact O-N 3.11Å; K181-W184 PolarHBondContact O-N 3.3Å; K181-K185 WeakPolarHBondContact O-CG 3.18Å; K181-K185 PolarHBondContact O-N 2.95Å |
| 182 | L | 71.2 | Confident | 71.8 | Confident | 107 Ų | 107 | 114 Ų | 114 | 56% | 0.56 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -65.9 | -44.8 | 174.2 | -69.2 | 177 | 0 | 0 | 0 | 110.8 | L178 R180 W184 K185 N186 | L178-L182 WeakPolarHBondContact O-CB 3.43Å; L178-L182 WeakPolarHBondContact O-CG 3.42Å; L178-L182 PolarHBondContact O-N 3.31Å; R180-L182 PolarHBondContact O-N 3Å; L182-W184 PolarHBondContact O-N 3Å; L182-K185 PolarHBondContact O-N 2.85Å; L182-N186 PolarHBondContact O-N 3.35Å; L182-N186 VanDerWaalsContact O-N 3.09Å |
| 183 | Y | 74.1 | Confident | 74 | Confident | 161 Ų | 161 | 111.4 Ų | 111.4 | 63% | 0.631 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -57.9 | -48 | 173.4 | -175 | -100.5 | 0 | 0 | 0 | 111.6 | A179 R180 K185 N186 V187 | A179-Y183 VanDerWaalsContact O-CB 3.3Å; A179-Y183 WeakPolarHBondContact O-CB 3.27Å; A179-Y183 PolarHBondContact O-N 2.83Å; R180-Y183 WeakPolarHBondContact O-CB 3.36Å; R180-Y183 PolarHBondContact O-N 2.78Å; Y183-K185 PolarHBondContact O-N 2.96Å; Y183-N186 PolarHBondContact O-N 3Å; Y183-V187 HydrophobicContact CD1-CG2 3.97Å; Y183-V187 HydrophobicContact CE1-CG2 3.65Å; Y183-V187 HydrophobicContact CE2-CG2 4.26Å; Y183-V187 HydrophobicContact CG-CG2 4.41Å; Y183-V187 WeakPolarHBondContact O-CB 3.48Å; Y183-V187 VanDerWaalsContact O-CG2 3.25Å; Y183-V187 WeakPolarHBondContact O-CG2 3.17Å; Y183-V187 PolarHBondContact O-N 2.83Å |
| 184 | W | 77 | Confident | 76.1 | Confident | 154 Ų | 154 | 112.5 Ų | 112.5 | 58% | 0.583 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -64.9 | -33.8 | 177.5 | -79.2 | 108.3 | 0 | 0 | 0 | 113.8 | R180 K181 L182 K188 | R180-W184 PolarHBondContact O-N 3.48Å; K181-W184 PolarHBondContact O-N 3.3Å; L182-W184 PolarHBondContact O-N 3Å; W184-K188 WeakPolarHBondContact O-CB 3.28Å; W184-K188 PolarHBondContact O-N 2.99Å |
| 185 | K | 78.2 | Confident | 78.5 | Confident | 133 Ų | 133 | 111 Ų | 111 | 58% | 0.578 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -65 | -46.9 | 173.8 | -78.3 | 179.3 | 81.2 | 173.6 | 0 | 110.7 | K181 L182 Y183 K188 W189 | K181-K185 WeakPolarHBondContact O-CG 3.18Å; K181-K185 PolarHBondContact O-N 2.95Å; L182-K185 PolarHBondContact O-N 2.85Å; Y183-K185 PolarHBondContact O-N 2.96Å; K185-K188 PolarHBondContact O-N 3.08Å; K185-W189 PolarHBondContact O-N 3.23Å |
| 186 | N | 81.8 | Confident | 80.4 | Confident | 119 Ų | 119 | 111.4 Ų | 111.4 | 64% | 0.636 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -63.6 | -43 | 177.5 | -73.1 | 4.7 | 0 | 0 | 0 | 111.6 | L182 Y183 W189 A190 | L182-N186 PolarHBondContact O-N 3.35Å; L182-N186 VanDerWaalsContact O-N 3.09Å; Y183-N186 PolarHBondContact O-N 3Å; N186-W189 PolarHBondContact O-N 3.44Å; N186-A190 WeakPolarHBondContact O-CB 3.19Å; N186-A190 PolarHBondContact O-N 2.92Å |
| 187 | V | 84.6 | Confident | 82.2 | Confident | 39 Ų | 39 | 106.2 Ų | 106.2 | 24% | 0.236 | 52% | 0.518 | C | S | . | . | H | α-helix | trans | -63.1 | -42 | 175.8 | 170.3 | 0 | 0 | 0 | 0 | 111.6 | Y183 A190 M191 | Y183-V187 HydrophobicContact CD1-CG2 3.97Å; Y183-V187 HydrophobicContact CE1-CG2 3.65Å; Y183-V187 HydrophobicContact CE2-CG2 4.26Å; Y183-V187 HydrophobicContact CG-CG2 4.41Å; Y183-V187 WeakPolarHBondContact O-CB 3.48Å; Y183-V187 VanDerWaalsContact O-CG2 3.25Å; Y183-V187 WeakPolarHBondContact O-CG2 3.17Å; Y183-V187 PolarHBondContact O-N 2.83Å; V187-A190 PolarHBondContact O-N 2.81Å; V187-M191 HydrophobicContact CG1-CG 4.43Å; V187-M191 WeakPolarHBondContact O-CG 3.48Å; V187-M191 PolarHBondContact O-N 3.27Å |
| 188 | K | 86 | Confident | 83.6 | Confident | 138 Ų | 138 | 104.9 Ų | 104.9 | 60% | 0.6 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -62.8 | -44.7 | 178.2 | -173.2 | 177.5 | -179.6 | -180 | 0 | 111.6 | W184 K185 M191 I192 | W184-K188 WeakPolarHBondContact O-CB 3.28Å; W184-K188 PolarHBondContact O-N 2.99Å; K185-K188 PolarHBondContact O-N 3.08Å; K188-M191 PolarHBondContact O-N 2.91Å; K188-I192 HydrophobicContact CG-CD1 4.38Å; K188-I192 WeakPolarHBondContact O-CG1 3.26Å; K188-I192 PolarHBondContact O-N 3.34Å; K188-I192 VanDerWaalsContact O-N 3.12Å |
| 189 | W | 89.6 | Confident | 85.1 | Confident | 168 Ų | 168 | 105.8 Ų | 105.8 | 64% | 0.636 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -64.6 | -42.3 | 174.7 | -74 | 117.5 | 0 | 0 | 0 | 112.1 | K185 N186 M191 I192 V193 | K185-W189 PolarHBondContact O-N 3.23Å; N186-W189 PolarHBondContact O-N 3.44Å; W189-M191 PolarHBondContact O-N 3.49Å; W189-I192 HydrophobicContact CE3-CD1 4.26Å; W189-I192 PolarHBondContact O-N 2.98Å; W189-V193 WeakPolarHBondContact O-CG2 3.19Å; W189-V193 PolarHBondContact O-N 3.47Å |
| 190 | A | 89.4 | Confident | 86.4 | Confident | 53 Ų | 53 | 107.5 Ų | 107.5 | 44% | 0.438 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -60.9 | -42 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | N186 V187 I192 V193 V194 | N186-A190 WeakPolarHBondContact O-CB 3.19Å; N186-A190 PolarHBondContact O-N 2.92Å; V187-A190 PolarHBondContact O-N 2.81Å; A190-I192 PolarHBondContact O-N 2.91Å; A190-V193 PolarHBondContact O-N 2.93Å; A190-V194 WeakPolarHBondContact O-CB 3.16Å; A190-V194 VanDerWaalsContact O-CG2 3.28Å; A190-V194 WeakPolarHBondContact O-CG2 3.12Å; A190-V194 PolarHBondContact O-N 3.44Å |
| 191 | M | 92.1 | Very high | 87.5 | Confident | 117 Ų | 117 | 105.2 Ų | 105.2 | 58% | 0.576 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -62.5 | -41.6 | 175.4 | -74.3 | -158.7 | -60.1 | 0 | 0 | 112.3 | V187 K188 W189 V194 L195 | V187-M191 HydrophobicContact CG1-CG 4.43Å; V187-M191 WeakPolarHBondContact O-CG 3.48Å; V187-M191 PolarHBondContact O-N 3.27Å; K188-M191 PolarHBondContact O-N 2.91Å; W189-M191 PolarHBondContact O-N 3.49Å; M191-V194 PolarHBondContact O-N 2.63Å; M191-L195 WeakPolarHBondContact O-CB 3.4Å; M191-L195 PolarHBondContact O-N 2.98Å |
| 192 | I | 92.6 | Very high | 88.3 | Confident | 72 Ų | 72 | 104.8 Ų | 104.8 | 37% | 0.369 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62.7 | -45.5 | 176.4 | -67.5 | 165.2 | 0 | 0 | 0 | 110.3 | K188 W189 A190 V194 L195 L196 | K188-I192 HydrophobicContact CG-CD1 4.38Å; K188-I192 WeakPolarHBondContact O-CG1 3.26Å; K188-I192 PolarHBondContact O-N 3.34Å; K188-I192 VanDerWaalsContact O-N 3.12Å; W189-I192 HydrophobicContact CE3-CD1 4.26Å; W189-I192 PolarHBondContact O-N 2.98Å; A190-I192 PolarHBondContact O-N 2.91Å; I192-V194 PolarHBondContact O-N 2.87Å; I192-L195 PolarHBondContact O-N 2.97Å; I192-L196 HydrophobicContact CG2-CD1 3.99Å; I192-L196 HydrophobicContact CG2-CG 4.44Å; I192-L196 WeakPolarHBondContact O-CB 3.35Å; I192-L196 VanDerWaalsContact O-CG 3.28Å; I192-L196 WeakPolarHBondContact O-CG 2.84Å; I192-L196 PolarHBondContact O-N 2.87Å |
| 193 | V | 93.4 | Very high | 89.1 | Confident | 79 Ų | 79 | 103.2 Ų | 103.2 | 48% | 0.479 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61.6 | -44.8 | 177.9 | 172.2 | 0 | 0 | 0 | 0 | 111.2 | W189 A190 L196 I197 | W189-V193 WeakPolarHBondContact O-CG2 3.19Å; W189-V193 PolarHBondContact O-N 3.47Å; A190-V193 PolarHBondContact O-N 2.93Å; V193-L196 PolarHBondContact O-N 3.03Å; V193-I197 HydrophobicContact CG1-CD1 3.82Å; V193-I197 VanDerWaalsContact O-CG1 3.26Å; V193-I197 WeakPolarHBondContact O-CG1 3.28Å; V193-I197 PolarHBondContact O-N 3.48Å |
| 194 | V | 94.6 | Very high | 89.7 | Confident | 97 Ų | 97 | 100.4 Ų | 100.4 | 59% | 0.588 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -63.3 | -42.5 | 177.6 | 168.7 | 0 | 0 | 0 | 0 | 111.6 | A190 M191 I192 I197 A198 | A190-V194 WeakPolarHBondContact O-CB 3.16Å; A190-V194 VanDerWaalsContact O-CG2 3.28Å; A190-V194 WeakPolarHBondContact O-CG2 3.12Å; A190-V194 PolarHBondContact O-N 3.44Å; M191-V194 PolarHBondContact O-N 2.63Å; I192-V194 PolarHBondContact O-N 2.87Å; V194-I197 PolarHBondContact O-N 3.18Å; V194-A198 WeakPolarHBondContact O-CB 3.4Å; V194-A198 PolarHBondContact O-N 3Å |
| 195 | L | 95.5 | Very high | 90.2 | Very high | 112 Ų | 112 | 97 Ų | 97 | 59% | 0.586 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -63.7 | -42.7 | 177.8 | -164.7 | 102 | 0 | 0 | 0 | 111.6 | M191 I192 A198 L199 | M191-L195 WeakPolarHBondContact O-CB 3.4Å; M191-L195 PolarHBondContact O-N 2.98Å; I192-L195 PolarHBondContact O-N 2.97Å; L195-A198 PolarHBondContact O-N 3.14Å; L195-L199 HydrophobicContact CD2-CD1 4.24Å; L195-L199 WeakPolarHBondContact O-CG 3.41Å; L195-L199 PolarHBondContact O-N 3.43Å |
| 196 | L | 95.7 | Very high | 90.4 | Very high | 96 Ų | 96 | 92.4 Ų | 92.4 | 50% | 0.503 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -62.6 | -43.8 | 176.6 | -72.1 | 172.4 | 0 | 0 | 0 | 111.4 | I192 V193 A198 L199 I200 | I192-L196 HydrophobicContact CG2-CD1 3.99Å; I192-L196 HydrophobicContact CG2-CG 4.44Å; I192-L196 WeakPolarHBondContact O-CB 3.35Å; I192-L196 VanDerWaalsContact O-CG 3.28Å; I192-L196 WeakPolarHBondContact O-CG 2.84Å; I192-L196 PolarHBondContact O-N 2.87Å; V193-L196 PolarHBondContact O-N 3.03Å; L196-A198 PolarHBondContact O-N 2.57Å; L196-L199 PolarHBondContact O-N 3.04Å; L196-I200 WeakPolarHBondContact O-CD1 3.44Å; L196-I200 VanDerWaalsContact O-CG1 3.24Å; L196-I200 WeakPolarHBondContact O-CG1 3.39Å; L196-I200 PolarHBondContact O-N 3.23Å |
| 197 | I | 95 | Very high | 90.5 | Very high | 91 Ų | 91 | 92.4 Ų | 92.4 | 47% | 0.467 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61.4 | -44.2 | 175.5 | -67.7 | 165.2 | 0 | 0 | 0 | 110.7 | V193 V194 L199 I200 L201 | V193-I197 HydrophobicContact CG1-CD1 3.82Å; V193-I197 VanDerWaalsContact O-CG1 3.26Å; V193-I197 WeakPolarHBondContact O-CG1 3.28Å; V193-I197 PolarHBondContact O-N 3.48Å; V194-I197 PolarHBondContact O-N 3.18Å; I197-L199 PolarHBondContact O-N 3.36Å; I197-I200 PolarHBondContact O-N 3.34Å; I197-L201 HydrophobicContact CG2-CD1 4.05Å; I197-L201 HydrophobicContact CG2-CG 4.43Å; I197-L201 WeakPolarHBondContact O-CG 3.23Å; I197-L201 PolarHBondContact O-N 3.07Å |
| 198 | A | 94.4 | Very high | 90.1 | Very high | 54 Ų | 54 | 95 Ų | 95 | 45% | 0.446 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.9 | -40.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | V194 L195 L196 L201 F202 | V194-A198 WeakPolarHBondContact O-CB 3.4Å; V194-A198 PolarHBondContact O-N 3Å; L195-A198 PolarHBondContact O-N 3.14Å; L196-A198 PolarHBondContact O-N 2.57Å; A198-L201 PolarHBondContact O-N 3.3Å; A198-F202 WeakPolarHBondContact O-CB 3.23Å; A198-F202 PolarHBondContact O-N 2.93Å |
| 199 | L | 94.3 | Very high | 89.6 | Confident | 97 Ų | 97 | 92 Ų | 92 | 51% | 0.508 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -65.3 | -39.7 | 175.2 | -73.3 | 170.8 | 0 | 0 | 0 | 112 | L195 L196 I197 F202 T203 | L195-L199 HydrophobicContact CD2-CD1 4.24Å; L195-L199 WeakPolarHBondContact O-CG 3.41Å; L195-L199 PolarHBondContact O-N 3.43Å; L196-L199 PolarHBondContact O-N 3.04Å; I197-L199 PolarHBondContact O-N 3.36Å; L199-F202 PolarHBondContact O-N 3.03Å; L199-T203 WeakPolarHBondContact O-CG2 3.47Å; L199-T203 PolarHBondContact O-N 2.89Å; L199-T203 PolarHBondContact O-OG1 3.01Å |
| 200 | I | 93.8 | Very high | 88.5 | Confident | 97 Ų | 97 | 86.5 Ų | 86.5 | 50% | 0.497 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.5 | -44.8 | 174.7 | -67.7 | 163.7 | 0 | 0 | 0 | 110.2 | L196 I197 F202 T203 L204 | L196-I200 WeakPolarHBondContact O-CD1 3.44Å; L196-I200 VanDerWaalsContact O-CG1 3.24Å; L196-I200 WeakPolarHBondContact O-CG1 3.39Å; L196-I200 PolarHBondContact O-N 3.23Å; I197-I200 PolarHBondContact O-N 3.34Å; I200-F202 PolarHBondContact O-N 2.88Å; I200-T203 WeakPolarHBondContact CA-OG1 3.45Å; I200-T203 PolarHBondContact O-N 3.44Å; I200-T203 PolarHBondContact O-OG1 2.97Å; I200-L204 HydrophobicContact CG2-CD1 4.02Å; I200-L204 WeakPolarHBondContact O-CB 3.28Å; I200-L204 VanDerWaalsContact O-CG 3.27Å; I200-L204 WeakPolarHBondContact O-CG 3.34Å; I200-L204 PolarHBondContact O-N 2.96Å |
| 201 | L | 91.6 | Very high | 86.9 | Confident | 99 Ų | 99 | 85.6 Ų | 85.6 | 52% | 0.518 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -64.5 | -40.8 | 176.9 | -69.2 | 173.8 | 0 | 0 | 0 | 112.3 | I197 A198 L204 V205 | I197-L201 HydrophobicContact CG2-CD1 4.05Å; I197-L201 HydrophobicContact CG2-CG 4.43Å; I197-L201 WeakPolarHBondContact O-CG 3.23Å; I197-L201 PolarHBondContact O-N 3.07Å; A198-L201 PolarHBondContact O-N 3.3Å; L201-L204 PolarHBondContact O-N 3.22Å; L201-V205 VanDerWaalsContact O-CG2 3.3Å; L201-V205 WeakPolarHBondContact O-CG2 3.43Å; L201-V205 PolarHBondContact O-N 3.06Å |
| 202 | F | 89.5 | Confident | 85.2 | Confident | 117 Ų | 117 | 87.4 Ų | 87.4 | 51% | 0.513 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.8 | -42.3 | 177.4 | -178.9 | -101.7 | 0 | 0 | 0 | 112.3 | A198 L199 I200 V205 T206 | A198-F202 WeakPolarHBondContact O-CB 3.23Å; A198-F202 PolarHBondContact O-N 2.93Å; L199-F202 PolarHBondContact O-N 3.03Å; I200-F202 PolarHBondContact O-N 2.88Å; F202-V205 PolarHBondContact O-N 2.92Å; F202-T206 HydrophobicContact CD1-CG2 4.34Å; F202-T206 HydrophobicContact CD2-CG2 4.47Å; F202-T206 HydrophobicContact CE1-CG2 3.93Å; F202-T206 HydrophobicContact CE2-CG2 4.07Å; F202-T206 HydrophobicContact CZ-CG2 3.79Å; F202-T206 WeakPolarHBondContact O-CB 3.46Å; F202-T206 WeakPolarHBondContact O-CG2 3.42Å; F202-T206 PolarHBondContact O-N 2.99Å; F202-T206 PolarHBondContact O-OG1 3.34Å |
| 203 | T | 87.3 | Confident | 83.4 | Confident | 74 Ų | 74 | 88.1 Ų | 88.1 | 45% | 0.454 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -65.8 | -39.1 | 174.9 | 52.4 | 0 | 0 | 0 | 0 | 111.8 | L199 I200 T206 V207 | L199-T203 WeakPolarHBondContact O-CG2 3.47Å; L199-T203 PolarHBondContact O-N 2.89Å; L199-T203 PolarHBondContact O-OG1 3.01Å; I200-T203 WeakPolarHBondContact CA-OG1 3.45Å; I200-T203 PolarHBondContact O-N 3.44Å; I200-T203 PolarHBondContact O-OG1 2.97Å; T203-T206 WeakPolarHBondContact CA-OG1 3.34Å; T203-T206 PolarHBondContact O-N 3.1Å; T203-T206 PolarHBondContact O-OG1 2.68Å; T203-V207 WeakPolarHBondContact O-CB 3.25Å; T203-V207 WeakPolarHBondContact O-CG2 3.08Å; T203-V207 PolarHBondContact O-N 3.07Å |
| 204 | L | 87.7 | Confident | 81.6 | Confident | 103 Ų | 103 | 94.1 Ų | 94.1 | 54% | 0.539 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -64.2 | -42.7 | 174.5 | -72.1 | 171.5 | 0 | 0 | 0 | 112.6 | I200 L201 V207 S208 | I200-L204 HydrophobicContact CG2-CD1 4.02Å; I200-L204 WeakPolarHBondContact O-CB 3.28Å; I200-L204 VanDerWaalsContact O-CG 3.27Å; I200-L204 WeakPolarHBondContact O-CG 3.34Å; I200-L204 PolarHBondContact O-N 2.96Å; L201-L204 PolarHBondContact O-N 3.22Å; L204-V207 PolarHBondContact O-N 2.96Å; L204-S208 WeakPolarHBondContact O-CB 3.34Å; L204-S208 PolarHBondContact O-N 3.25Å; L204-S208 PolarHBondContact O-OG 2.77Å |
| 205 | V | 86.6 | Confident | 79.7 | Confident | 83 Ų | 83 | 93.6 Ų | 93.6 | 50% | 0.503 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -67.3 | -40.8 | 177.6 | 170.8 | 0 | 0 | 0 | 0 | 111.4 | L201 F202 S208 C209 | L201-V205 VanDerWaalsContact O-CG2 3.3Å; L201-V205 WeakPolarHBondContact O-CG2 3.43Å; L201-V205 PolarHBondContact O-N 3.06Å; F202-V205 PolarHBondContact O-N 2.92Å; V205-S208 WeakPolarHBondContact CA-OG 3.27Å; V205-S208 PolarHBondContact O-N 3.41Å; V205-S208 PolarHBondContact O-OG 3.41Å; V205-C209 VanDerWaalsContact O-CB 3.24Å; V205-C209 WeakPolarHBondContact O-CB 3.2Å; V205-C209 PolarHBondContact O-N 3.31Å |
| 206 | T | 83.6 | Confident | 77.8 | Confident | 36 Ų | 36 | 96.3 Ų | 96.3 | 22% | 0.221 | 55% | 0.548 | C | S | . | . | H | α-helix | trans | -69.8 | -34.2 | 177.8 | 50.1 | 0 | 0 | 0 | 0 | 112.1 | F202 T203 G210 G211 | F202-T206 HydrophobicContact CD1-CG2 4.34Å; F202-T206 HydrophobicContact CD2-CG2 4.47Å; F202-T206 HydrophobicContact CE1-CG2 3.93Å; F202-T206 HydrophobicContact CE2-CG2 4.07Å; F202-T206 HydrophobicContact CZ-CG2 3.79Å; F202-T206 WeakPolarHBondContact O-CB 3.46Å; F202-T206 WeakPolarHBondContact O-CG2 3.42Å; F202-T206 PolarHBondContact O-N 2.99Å; F202-T206 PolarHBondContact O-OG1 3.34Å; T203-T206 WeakPolarHBondContact CA-OG1 3.34Å; T203-T206 PolarHBondContact O-N 3.1Å; T203-T206 PolarHBondContact O-OG1 2.68Å; T206-G210 PolarHBondContact O-N 3.36Å; T206-G211 WeakPolarHBondContact O-CA 3.17Å; T206-G211 PolarHBondContact O-N 2.94Å |
| 207 | V | 83.1 | Confident | 75.9 | Confident | 119 Ų | 119 | 97.3 Ų | 97.3 | 72% | 0.721 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -69.7 | -44.1 | 172 | 170.8 | 0 | 0 | 0 | 0 | 111.3 | T203 L204 G210 | T203-V207 WeakPolarHBondContact O-CB 3.25Å; T203-V207 WeakPolarHBondContact O-CG2 3.08Å; T203-V207 PolarHBondContact O-N 3.07Å; L204-V207 PolarHBondContact O-N 2.96Å; V207-G210 PolarHBondContact O-N 2.71Å |
| 208 | S | 77.6 | Confident | 73.9 | Confident | 94 Ų | 94 | 98.4 Ų | 98.4 | 66% | 0.657 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -72.5 | -29.2 | -179.2 | 65.4 | 0 | 0 | 0 | 0 | 113.6 | L204 V205 | L204-S208 WeakPolarHBondContact O-CB 3.34Å; L204-S208 PolarHBondContact O-N 3.25Å; L204-S208 PolarHBondContact O-OG 2.77Å; V205-S208 WeakPolarHBondContact CA-OG 3.27Å; V205-S208 PolarHBondContact O-N 3.41Å; V205-S208 PolarHBondContact O-OG 3.41Å |
| 209 | C | 74.3 | Confident | 71.6 | Confident | 73 Ų | 73 | 99.2 Ų | 99.2 | 49% | 0.493 | 59% | 0.591 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -91.7 | 5.9 | 174.4 | -71.8 | 0 | 0 | 0 | 0 | 114.5 | V205 | V205-C209 VanDerWaalsContact O-CB 3.24Å; V205-C209 WeakPolarHBondContact O-CB 3.2Å; V205-C209 PolarHBondContact O-N 3.31Å |
| 210 | G | 66.1 | Low | 69.2 | Low | 53 Ų | 53 | 104 Ų | 104 | 55% | 0.546 | 61% | 0.608 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 88.7 | 26.7 | 166.9 | 0 | 0 | 0 | 0 | 0 | 117 | T206 V207 | T206-G210 PolarHBondContact O-N 3.36Å; V207-G210 PolarHBondContact O-N 2.71Å |
| 211 | G | 56.1 | Low | 66.7 | Low | 35 Ų | 35 | 114.6 Ų | 114.6 | 36% | 0.361 | 64% | 0.642 | S | S | . | * | S | Bend | trans | 95.3 | 168.1 | 172.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | T206 S213 | T206-G211 WeakPolarHBondContact O-CA 3.17Å; T206-G211 PolarHBondContact O-N 2.94Å; G211-S213 CarbonylContact O-C 3.49Å; G211-S213 PolarHBondContact O-N 2.84Å |
| 212 | L | 56.2 | Low | 65.5 | Low | 155 Ų | 155 | 115.4 Ų | 115.4 | 81% | 0.812 | 65% | 0.648 | S | S | * | * | S | Bend | trans | -55.3 | -14.3 | -170.8 | -154 | 78 | 0 | 0 | 0 | 115 | ||
| 213 | S | 55.1 | Low | 64.2 | Low | 87 Ų | 87 | 115.3 Ų | 115.3 | 61% | 0.608 | 66% | 0.655 | S | S | * | * | S | Bend | trans | -99.7 | 97.4 | 171.8 | 55.5 | 0 | 0 | 0 | 0 | 109 | G211 P215 | G211-S213 CarbonylContact O-C 3.49Å; G211-S213 PolarHBondContact O-N 2.84Å; S213-P215 WeakPolarHBondContact O-CD 3.35Å; S213-P215 WeakPolarHBondContact O-CG 3.33Å; S213-P215 VanDerWaalsContact O-N 3.09Å |
| 214 | Y | 56.3 | Low | 62.9 | Low | 205 Ų | 205 | 117.6 Ų | 117.6 | 80% | 0.804 | 67% | 0.666 | S | S | * | * | trans | -54.4 | 95.9 | 175.5 | -67.2 | -100 | 0 | 0 | 0 | 113.5 | ||||
| 215 | P | 54.2 | Low | 61.5 | Low | 85 Ų | 85 | 118.5 Ų | 118.5 | 55% | 0.552 | 67% | 0.674 | S | S | * | * | trans | -106.6 | -1.7 | -179.4 | 18.7 | 6.2 | 0 | 0 | 0 | 112.7 | S213 | S213-P215 WeakPolarHBondContact O-CD 3.35Å; S213-P215 WeakPolarHBondContact O-CG 3.33Å; S213-P215 VanDerWaalsContact O-N 3.09Å | ||
| 216 | H | 55 | Low | 59.9 | Low | 170 Ų | 170 | 120.7 Ų | 120.7 | 79% | 0.787 | 68% | 0.684 | S | S | * | * | S | Bend | trans | -136.1 | 14.8 | -172 | -108.4 | 32.5 | 0 | 0 | 0 | 118.2 | ||
| 217 | C | 56.1 | Low | 58.3 | Low | 116 Ų | 116 | 126.3 Ų | 126.3 | 78% | 0.784 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -103.6 | 7.2 | 174.1 | -123.8 | 0 | 0 | 0 | 0 | 115.7 | ||
| 218 | S | 53.1 | Low | 56.5 | Low | 114 Ų | 114 | 126.9 Ų | 126.9 | 80% | 0.797 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -110.6 | 96.3 | 167 | 73.2 | 0 | 0 | 0 | 0 | 111.2 | ||
| 219 | G | 45.3 | Very low | 54.9 | Low | 72 Ų | 72 | 129.4 Ų | 129.4 | 74% | 0.742 | 72% | 0.719 | S | S | * | * | trans | 74.6 | 88.4 | 145.7 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 220 | K | 44.7 | Very low | 53.3 | Low | 198 Ų | 198 | 134.1 Ų | 134.1 | 86% | 0.861 | 74% | 0.738 | S | S | * | * | trans | -92.6 | 110.6 | 133.2 | -82.2 | -176.3 | 177.9 | 176.5 | 0 | 107.1 | ||||
| 221 | R | 41.5 | Very low | 52.1 | Low | 319 Ų | 319 | 141.5 Ų | 141.5 | 100% | 1.204 | 76% | 0.756 | S | S | * | * | trans | -39.7 | 0 | 161 | -88.7 | 179.6 | 173.6 | 176.2 | -2 | 111.9 |
Retrieved 221 of 221 residues in 1150.2 ms
(Link to these results)