| 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 | 90.9 | Very high | 97.5 | Very high | 84 Ų | 84 | 14.7 Ų | 14.7 | 41% | 0.414 | 7% | 0.072 | S | C | . | . | 0 | 136.3 | 0 | 178 | 172.6 | 68.7 | 0 | 0 | 109.1 | I3 S149 V150 L184 R185 D186 | M1-I3 HydrophobicContact CE-CD1 4.16Å; M1-I3 HydrophobicContact CE-CG1 4.35Å; M1-S149 CarbonylContact O-C 3.51Å; M1-S149 WeakPolarHBondContact O-CA 3.41Å; M1-S149 WeakPolarHBondContact O-CB 3.38Å; M1-V150 PolarHBondContact O-N 3.28Å; M1-V150 VanDerWaalsContact O-N 3.13Å; M1-L184 HydrophobicContact CE-CD2 4.31Å; M1-L184 HydrophobicContact SD-CD2 3.72Å; M1-R185 CarbonylContact C-O 3.58Å; M1-R185 WeakPolarHBondContact CA-O 3.22Å; M1-D186 VanDerWaalsContact CA-O 3.23Å; M1-D186 WeakPolarHBondContact CA-O 3.47Å; M1-D186 PolarHBondContact N-O 3.18Å | |||
| 2 | T | 95.3 | Very high | 97.5 | Very high | 12 Ų | 12 | 16.3 Ų | 16.3 | 7% | 0.074 | 8% | 0.076 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 135 | 175.4 | -47.6 | 0 | 0 | 0 | 0 | 109.9 | T144 V150 L184 R185 W192 | T2-T144 HydrophobicContact CG2-CG2 3.49Å; T2-T144 VanDerWaalsContact CG2-CG2 3.49Å; T2-V150 CarbonylContact C-O 3.49Å; T2-V150 WeakPolarHBondContact CA-O 3.2Å; T2-L184 WeakPolarHBondContact O-CA 3.32Å; T2-R185 PolarHBondContact N-O 3.09Å; T2-R185 PolarHBondContact O-N 2.86Å; T2-W192 HydrophobicContact CG2-CH2 3.59Å; T2-W192 HydrophobicContact CG2-CZ2 4.4Å; T2-W192 HydrophobicContact CG2-CZ3 4.4Å |
| 3 | I | 97.2 | Very high | 97.5 | Very high | 21 Ų | 21 | 18.8 Ų | 18.8 | 11% | 0.108 | 9% | 0.088 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 129.9 | 175.7 | -51.3 | 174.7 | 0 | 0 | 0 | 108.7 | M1 W5 V150 S151 I152 K182 L183 L184 | M1-I3 HydrophobicContact CE-CD1 4.16Å; M1-I3 HydrophobicContact CE-CG1 4.35Å; I3-W5 HydrophobicContact CG2-CG 4.48Å; I3-V150 PolarHBondContact N-O 2.96Å; I3-S151 WeakPolarHBondContact O-CA 3.34Å; I3-I152 PolarHBondContact O-N 3.07Å; I3-K182 HydrophobicContact CG2-CD 4.3Å; I3-K182 HydrophobicContact CG2-CG 3.74Å; I3-L183 WeakPolarHBondContact CA-O 3.24Å; I3-L184 HydrophobicContact CG1-CD2 4.26Å; I3-L184 HydrophobicContact CG1-CG 4.44Å |
| 4 | I | 98.3 | Very high | 97.3 | Very high | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 118.1 | 167.1 | -60.3 | -60.3 | 0 | 0 | 0 | 107.9 | V140 I152 L154 L168 K182 L183 W192 | I4-V140 HydrophobicContact CD1-CG2 4.15Å; I4-I152 HydrophobicContact CD1-CB 3.81Å; I4-I152 HydrophobicContact CD1-CD1 4.19Å; I4-I152 HydrophobicContact CD1-CG1 4.36Å; I4-I152 HydrophobicContact CD1-CG2 4.44Å; I4-L154 HydrophobicContact CG2-CD1 3.68Å; I4-L154 HydrophobicContact CG2-CG 4.06Å; I4-L168 HydrophobicContact CB-CD1 4.48Å; I4-L168 HydrophobicContact CG1-CD1 4.19Å; I4-L168 HydrophobicContact CG2-CD1 4.49Å; I4-K182 WeakPolarHBondContact O-CA 3.28Å; I4-L183 HydrophobicContact CB-CB 4.38Å; I4-L183 HydrophobicContact CB-CD1 4.34Å; I4-L183 HydrophobicContact CG2-CD1 4.2Å; I4-L183 PolarHBondContact N-O 3Å; I4-L183 PolarHBondContact O-N 3.3Å; I4-W192 HydrophobicContact CB-CZ3 4.22Å; I4-W192 HydrophobicContact CD1-CH2 4.19Å; I4-W192 HydrophobicContact CG1-CH2 3.42Å; I4-W192 VanDerWaalsContact CG1-CH2 3.42Å; I4-W192 HydrophobicContact CG1-CZ2 4.32Å; I4-W192 HydrophobicContact CG1-CZ3 3.56Å |
| 5 | W | 98.7 | Very high | 97.1 | Very high | 1 Ų | 1 | 23.3 Ų | 23.3 | 0% | 0.004 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 132.5 | 165.2 | -65.7 | 91.9 | 0 | 0 | 0 | 108.8 | I3 L47 E50 S151 I152 L153 L154 L180 T181 K182 M196 | I3-W5 HydrophobicContact CG2-CG 4.48Å; W5-L47 HydrophobicContact CD2-CD2 4.21Å; W5-L47 HydrophobicContact CE3-CD2 4.14Å; W5-L47 HydrophobicContact CZ3-CD2 4.45Å; W5-E50 HydrophobicContact CH2-CG 4.14Å; W5-E50 HydrophobicContact CZ2-CB 4.38Å; W5-E50 HydrophobicContact CZ2-CG 3.73Å; W5-S151 VanDerWaalsContact CD1-OG 3.3Å; W5-S151 PolarHBondContact NE1-OG 3.48Å; W5-I152 PolarHBondContact N-O 2.96Å; W5-L153 HydrophobicContact CB-CD1 3.69Å; W5-L153 CarbonylContact O-C 3.54Å; W5-L153 WeakPolarHBondContact O-CA 3.07Å; W5-L154 PolarHBondContact O-N 3.49Å; W5-L180 HydrophobicContact CE3-CB 4.42Å; W5-L180 HydrophobicContact CE3-CD2 4.42Å; W5-L180 HydrophobicContact CZ3-CB 4.42Å; W5-L180 HydrophobicContact CZ3-CD1 4.44Å; W5-T181 CarbonylContact C-O 3.49Å; W5-T181 WeakPolarHBondContact CA-O 3.31Å; W5-K182 HydrophobicContact CD2-CB 4.33Å; W5-K182 HydrophobicContact CD2-CD 4.48Å; W5-K182 HydrophobicContact CD2-CG 3.99Å; W5-K182 HydrophobicContact CE3-CB 3.88Å; W5-K182 HydrophobicContact CE3-CD 4.43Å; W5-K182 HydrophobicContact CE3-CG 4.01Å; W5-K182 HydrophobicContact CH2-CB 4.27Å; W5-K182 HydrophobicContact CH2-CD 3.52Å; W5-K182 HydrophobicContact CH2-CG 4.01Å; W5-K182 HydrophobicContact CZ2-CD 3.52Å; W5-K182 HydrophobicContact CZ2-CG 3.93Å; W5-K182 HydrophobicContact CZ3-CB 3.85Å; W5-K182 HydrophobicContact CZ3-CD 3.98Å; W5-K182 HydrophobicContact CZ3-CG 4.03Å; W5-M196 HydrophobicContact CZ3-SD 4.43Å |
| 6 | C | 98.8 | Very high | 96.9 | Very high | 1 Ų | 1 | 27.5 Ų | 27.5 | 1% | 0.007 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 129 | 167 | -55.9 | 0 | 0 | 0 | 0 | 108.8 | L154 I161 L180 T181 | C6-L154 WeakPolarHBondContact CA-O 3.29Å; C6-I161 HydrophobicContact CB-CD1 4.19Å; C6-I161 HydrophobicContact CB-CG1 4.11Å; C6-I161 HydrophobicContact CB-CG2 3.75Å; C6-L180 WeakPolarHBondContact O-CA 3.38Å; C6-T181 PolarHBondContact N-O 2.94Å; C6-T181 PolarHBondContact O-N 3.21Å |
| 7 | L | 98.9 | Very high | 96.8 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 116.8 | 174.1 | 176 | 59 | 0 | 0 | 0 | 108.6 | A43 L47 T66 V70 L153 L154 V155 G156 I161 L180 | L7-A43 HydrophobicContact CD1-CB 4.19Å; L7-A43 HydrophobicContact CD2-CB 4.14Å; L7-L47 HydrophobicContact CD2-CD1 4.37Å; L7-T66 HydrophobicContact CD2-CG2 3.66Å; L7-T66 HydrophobicContact CG-CG2 4.09Å; L7-V70 HydrophobicContact CD2-CG2 4.24Å; L7-L153 HydrophobicContact CB-CD1 3.86Å; L7-L154 PolarHBondContact N-O 3.17Å; L7-V155 HydrophobicContact CB-CG2 4.42Å; L7-V155 VanDerWaalsContact O-CA 3.31Å; L7-V155 WeakPolarHBondContact O-CA 3.5Å; L7-G156 PolarHBondContact O-N 2.94Å; L7-I161 VanDerWaalsContact C-CD1 3.5Å; L7-L180 HydrophobicContact CB-CD2 4.1Å; L7-L180 HydrophobicContact CD1-CD2 3.89Å; L7-L180 HydrophobicContact CD1-CG 4.49Å; L7-L180 HydrophobicContact CG-CD2 4.44Å |
| 8 | R | 98.7 | Very high | 96.5 | Very high | 22 Ų | 22 | 33.1 Ų | 33.1 | 8% | 0.083 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 141.6 | 169.8 | -172.1 | 174.3 | 169.2 | -169.3 | -2.7 | 108.5 | G156 I161 V175 G176 C178 R210 | R8-G156 WeakPolarHBondContact CA-O 3.42Å; R8-I161 VanDerWaalsContact CA-CD1 3.41Å; R8-I161 HydrophobicContact CB-CD1 3.72Å; R8-I161 HydrophobicContact CG-CD1 4.46Å; R8-I161 VanDerWaalsContact N-CD1 3.27Å; R8-V175 HydrophobicContact CB-CG2 4.04Å; R8-V175 VanDerWaalsContact CD-O 3.27Å; R8-V175 WeakPolarHBondContact CD-O 3.39Å; R8-V175 PolarHBondContact NH1-O 2.95Å; R8-G176 WeakPolarHBondContact CB-O 3.42Å; R8-G176 WeakPolarHBondContact CD-O 3.28Å; R8-C178 VanDerWaalsContact O-CA 3.25Å; R8-C178 WeakPolarHBondContact O-CA 3.43Å; R8-C178 PolarHBondContact O-N 3.06Å; R8-C178 VanDerWaalsContact O-N 3.17Å; R8-R210 PolarHBondContact NH1-O 3.16Å |
| 9 | H | 98.7 | Very high | 96.4 | Very high | 3 Ų | 3 | 34.3 Ų | 34.3 | 1% | 0.014 | 19% | 0.193 | C | C | . | . | trans | -49.9 | 152.6 | 170.8 | 70.1 | 73.7 | 0 | 0 | 0 | 111.6 | R12 R62 G156 H157 L177 C178 | H9-R12 VanDerWaalsContact CE1-CD 3.5Å; H9-R12 WeakPolarHBondContact CE1-CD 3.23Å; H9-R62 HydrophobicContact CB-CB 4.29Å; H9-R62 HydrophobicContact CB-CG 4.13Å; H9-R62 PolarHBondContact CD2-NE 2.92Å; H9-R62 PolarHBondContact NE2-NE 3.36Å; H9-G156 PolarHBondContact CD2-O 2.95Å; H9-G156 PolarHBondContact N-O 2.9Å; H9-H157 AromaticContact CD2-CE1 4Å; H9-H157 AromaticContact CD2-CG 3.98Å; H9-H157 AromaticContact CD2-ND1 3.27Å; H9-H157 PolarHBondContact CD2-ND1 3.04Å; H9-H157 VanDerWaalsContact CD2-ND1 3.27Å; H9-H157 AromaticContact NE2-ND1 3.55Å; H9-L177 WeakPolarHBondContact O-CD2 2.98Å; H9-C178 PolarHBondContact O-N 2.99Å | ||
| 10 | A | 98.5 | Very high | 96.3 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 19% | 0.192 | C | C | . | . | trans | -76.5 | -178.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | R12 L32 G36 Q39 A40 T66 C178 | A10-R12 PolarHBondContact O-N 2.86Å; A10-L32 HydrophobicContact CB-CD1 4.25Å; A10-L32 HydrophobicContact CB-CD2 3.78Å; A10-L32 WeakPolarHBondContact O-CD2 3.46Å; A10-G36 WeakPolarHBondContact CB-O 3.32Å; A10-Q39 HydrophobicContact CB-CB 3.94Å; A10-A40 HydrophobicContact CB-CB 4.38Å; A10-T66 PolarHBondContact N-OG1 2.8Å; A10-C178 HydrophobicContact CB-CB 3.89Å | ||
| 11 | E | 98.2 | Very high | 96.1 | Very high | 18 Ų | 18 | 35.3 Ų | 35.3 | 8% | 0.084 | 20% | 0.2 | C | C | . | . | trans | -55.7 | 134.7 | -177.9 | -170.8 | 175.5 | -100.9 | 0 | 0 | 113 | V16 L32 A33 K35 L177 | E11-V16 HydrophobicContact CG-CG2 4.28Å; E11-V16 WeakPolarHBondContact OE2-CG2 3.12Å; E11-L32 CarbonylContact O-C 3.59Å; E11-L32 VanDerWaalsContact O-CA 3.29Å; E11-L32 WeakPolarHBondContact O-CA 3.11Å; E11-L32 WeakPolarHBondContact O-CD2 3.29Å; E11-A33 HydrophobicContact CG-CB 4.44Å; E11-A33 PolarHBondContact O-N 2.7Å; E11-K35 WeakPolarHBondContact OE2-CB 3.38Å; E11-L177 HydrophobicContact CB-CD1 4.39Å | ||
| 12 | R | 97.2 | Very high | 96.2 | Very high | 33 Ų | 33 | 41.6 Ų | 41.6 | 13% | 0.125 | 22% | 0.22 | C | C | . | . | B | Isolated β-bridge | trans | -90.9 | 149.6 | -176.3 | -65.4 | 161.6 | 48.1 | 157.2 | 8.7 | 111.7 | H9 A10 D14 Y15 R62 | H9-R12 VanDerWaalsContact CE1-CD 3.5Å; H9-R12 WeakPolarHBondContact CE1-CD 3.23Å; A10-R12 PolarHBondContact O-N 2.86Å; R12-D14 VanDerWaalsContact C-N 3.34Å; R12-D14 WeakPolarHBondContact CB-OD1 3.31Å; R12-D14 IonicContact CZ-OD1 3.71Å; R12-D14 IonicContact CZ-OD2 3.46Å; R12-D14 IonicContact NE-OD1 3.25Å; R12-D14 PolarHBondContact NE-OD1 3.07Å; R12-D14 IonicContact NE-OD2 3.16Å; R12-D14 IonicContact NH2-OD1 3.4Å; R12-D14 PolarHBondContact NH2-OD1 3.26Å; R12-D14 IonicContact NH2-OD2 2.78Å; R12-D14 PolarHBondContact NH2-OD2 2.67Å; R12-D14 PolarHBondContact O-N 2.89Å; R12-Y15 HydrophobicContact CB-CD1 4.35Å; R12-Y15 HydrophobicContact CB-CD2 4.1Å; R12-Y15 HydrophobicContact CB-CE2 4.39Å; R12-Y15 HydrophobicContact CB-CG 4.08Å; R12-Y15 HydrophobicContact CG-CD2 4.48Å; R12-Y15 HydrophobicContact CG-CE2 4.31Å; R12-Y15 WeakPolarHBondContact O-CB 3.17Å; R12-Y15 PolarHBondContact O-N 3.49Å; R12-R62 VanDerWaalsContact CG-CD 3.44Å |
| 13 | Q | 97.5 | Very high | 96 | Very high | 50 Ų | 50 | 47.1 Ų | 47.1 | 23% | 0.234 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -59.6 | -41.4 | 176 | -177.1 | 57.7 | 39.5 | 0 | 0 | 112.9 | Y15 V16 D17 W20 S30 P31 | Q13-Y15 PolarHBondContact O-N 2.92Å; Q13-V16 PolarHBondContact O-N 2.82Å; Q13-D17 PolarHBondContact O-N 2.85Å; Q13-W20 HydrophobicContact CB-CG 4.46Å; Q13-W20 HydrophobicContact CG-CB 4.36Å; Q13-W20 HydrophobicContact CG-CD2 4.19Å; Q13-W20 HydrophobicContact CG-CG 3.69Å; Q13-S30 PolarHBondContact N-OG 2.59Å; Q13-P31 HydrophobicContact CB-CG 4.11Å; Q13-P31 PolarHBondContact N-O 2.66Å |
| 14 | D | 95.3 | Very high | 95.7 | Very high | 43 Ų | 43 | 47.3 Ų | 47.3 | 23% | 0.23 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -68.5 | -14.9 | 179.1 | 71.5 | -36.2 | 0 | 0 | 0 | 114.3 | R12 W20 S30 | R12-D14 VanDerWaalsContact C-N 3.34Å; R12-D14 WeakPolarHBondContact CB-OD1 3.31Å; R12-D14 IonicContact CZ-OD1 3.71Å; R12-D14 IonicContact CZ-OD2 3.46Å; R12-D14 IonicContact NE-OD1 3.25Å; R12-D14 PolarHBondContact NE-OD1 3.07Å; R12-D14 IonicContact NE-OD2 3.16Å; R12-D14 IonicContact NH2-OD1 3.4Å; R12-D14 PolarHBondContact NH2-OD1 3.26Å; R12-D14 IonicContact NH2-OD2 2.78Å; R12-D14 PolarHBondContact NH2-OD2 2.67Å; R12-D14 PolarHBondContact O-N 2.89Å; D14-W20 HydrophobicContact CB-CE3 3.94Å; D14-S30 PolarHBondContact N-OG 2.81Å; D14-S30 PolarHBondContact OD1-OG 2.67Å |
| 15 | Y | 94.4 | Very high | 95.3 | Very high | 62 Ų | 62 | 54.5 Ų | 54.5 | 24% | 0.243 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -77.9 | -24.3 | 171.1 | -69.1 | -5.4 | 0 | 0 | 0 | 113 | R12 Q13 L177 R210 | R12-Y15 HydrophobicContact CB-CD1 4.35Å; R12-Y15 HydrophobicContact CB-CD2 4.1Å; R12-Y15 HydrophobicContact CB-CE2 4.39Å; R12-Y15 HydrophobicContact CB-CG 4.08Å; R12-Y15 HydrophobicContact CG-CD2 4.48Å; R12-Y15 HydrophobicContact CG-CE2 4.31Å; R12-Y15 WeakPolarHBondContact O-CB 3.17Å; R12-Y15 PolarHBondContact O-N 3.49Å; Q13-Y15 PolarHBondContact O-N 2.92Å; Y15-L177 HydrophobicContact CD2-CD1 4.2Å; Y15-L177 HydrophobicContact CE2-CD1 4.13Å; Y15-L177 HydrophobicContact CE2-CD2 4.27Å; Y15-R210 VanDerWaalsContact CG-CZ 3.44Å |
| 16 | V | 94.1 | Very high | 94.8 | Very high | 90 Ų | 90 | 56.5 Ų | 56.5 | 55% | 0.545 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -95.8 | -36.7 | -178.5 | -178.6 | 0 | 0 | 0 | 0 | 110.5 | E11 Q13 A33 | E11-V16 HydrophobicContact CG-CG2 4.28Å; E11-V16 WeakPolarHBondContact OE2-CG2 3.12Å; Q13-V16 PolarHBondContact O-N 2.82Å; V16-A33 HydrophobicContact CB-CB 4.49Å; V16-A33 HydrophobicContact CG2-CB 3.7Å |
| 17 | D | 94.9 | Very high | 94.4 | Very high | 58 Ų | 58 | 59.2 Ų | 59.2 | 31% | 0.31 | 33% | 0.334 | S | S | . | . | trans | -126.3 | 99.7 | 177.6 | 177.1 | 9.8 | 0 | 0 | 0 | 110.6 | Q13 S19 W20 | Q13-D17 PolarHBondContact O-N 2.85Å; D17-S19 PolarHBondContact O-N 3.33Å; D17-S19 VanDerWaalsContact O-N 3.09Å; D17-S19 WeakPolarHBondContact OD1-CA 3.45Å; D17-S19 WeakPolarHBondContact OD1-CB 3.39Å; D17-S19 PolarHBondContact OD1-N 2.87Å; D17-S19 PolarHBondContact OD1-OG 2.82Å; D17-S19 PolarHBondContact OD2-OG 3.13Å; D17-W20 HydrophobicContact CB-CB 4.17Å; D17-W20 WeakPolarHBondContact O-CB 3.3Å; D17-W20 PolarHBondContact O-N 3.34Å; D17-W20 PolarHBondContact OD1-N 3.27Å | ||
| 18 | A | 92 | Very high | 94 | Very high | 97 Ų | 97 | 63 Ų | 63 | 80% | 0.802 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | -13.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 19 | S | 94.2 | Very high | 93.9 | Very high | 56 Ų | 56 | 62.1 Ų | 62.1 | 39% | 0.392 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.8 | -10.5 | 176 | 77 | 0 | 0 | 0 | 0 | 113.4 | D17 A21 R22 | D17-S19 PolarHBondContact O-N 3.33Å; D17-S19 VanDerWaalsContact O-N 3.09Å; D17-S19 WeakPolarHBondContact OD1-CA 3.45Å; D17-S19 WeakPolarHBondContact OD1-CB 3.39Å; D17-S19 PolarHBondContact OD1-N 2.87Å; D17-S19 PolarHBondContact OD1-OG 2.82Å; D17-S19 PolarHBondContact OD2-OG 3.13Å; S19-A21 VanDerWaalsContact C-N 3.29Å; S19-A21 PolarHBondContact O-N 3.06Å; S19-R22 VanDerWaalsContact O-CB 3.29Å; S19-R22 WeakPolarHBondContact O-CB 3.29Å; S19-R22 WeakPolarHBondContact O-CG 3.4Å; S19-R22 PolarHBondContact O-N 3.42Å |
| 20 | W | 94.1 | Very high | 93.8 | Very high | 45 Ų | 45 | 62 Ų | 62 | 17% | 0.17 | 35% | 0.35 | C | S | . | . | G | 310 helix | trans | -51.5 | -44.8 | -174.2 | 175.1 | 80.1 | 0 | 0 | 0 | 113.1 | Q13 D14 D17 R22 T23 A24 S26 P31 | Q13-W20 HydrophobicContact CB-CG 4.46Å; Q13-W20 HydrophobicContact CG-CB 4.36Å; Q13-W20 HydrophobicContact CG-CD2 4.19Å; Q13-W20 HydrophobicContact CG-CG 3.69Å; D14-W20 HydrophobicContact CB-CE3 3.94Å; D17-W20 HydrophobicContact CB-CB 4.17Å; D17-W20 WeakPolarHBondContact O-CB 3.3Å; D17-W20 PolarHBondContact O-N 3.34Å; D17-W20 PolarHBondContact OD1-N 3.27Å; W20-R22 PolarHBondContact O-N 3.21Å; W20-R22 VanDerWaalsContact O-N 3.11Å; W20-T23 PolarHBondContact O-N 3.19Å; W20-A24 HydrophobicContact CD2-CB 4.17Å; W20-A24 HydrophobicContact CE3-CB 4.16Å; W20-A24 HydrophobicContact CH2-CB 3.56Å; W20-A24 HydrophobicContact CZ2-CB 3.6Å; W20-A24 HydrophobicContact CZ3-CB 3.88Å; W20-A24 PolarHBondContact O-N 2.86Å; W20-S26 WeakPolarHBondContact CH2-O 3.43Å; W20-P31 HydrophobicContact CZ2-CG 4.15Å |
| 21 | A | 92.1 | Very high | 93.7 | Very high | 45 Ų | 45 | 63.3 Ų | 63.3 | 37% | 0.372 | 36% | 0.359 | S | S | . | . | G | 310 helix | trans | -61.7 | -21.8 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | S19 T23 P27 | S19-A21 VanDerWaalsContact C-N 3.29Å; S19-A21 PolarHBondContact O-N 3.06Å; A21-T23 VanDerWaalsContact C-N 3.3Å; A21-T23 PolarHBondContact O-N 2.8Å; A21-P27 HydrophobicContact CB-CB 3.98Å |
| 22 | R | 92.6 | Very high | 93.7 | Very high | 217 Ų | 217 | 62.8 Ų | 62.8 | 82% | 0.819 | 36% | 0.357 | S | S | * | . | G | 310 helix | trans | -70.3 | -25.1 | -177.9 | -62 | 179.7 | 179.7 | 173.9 | -0.2 | 113.5 | S19 W20 | S19-R22 VanDerWaalsContact O-CB 3.29Å; S19-R22 WeakPolarHBondContact O-CB 3.29Å; S19-R22 WeakPolarHBondContact O-CG 3.4Å; S19-R22 PolarHBondContact O-N 3.42Å; W20-R22 PolarHBondContact O-N 3.21Å; W20-R22 VanDerWaalsContact O-N 3.11Å |
| 23 | T | 92.1 | Very high | 93.8 | Very high | 128 Ų | 128 | 61.4 Ų | 61.4 | 79% | 0.785 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -118.7 | -0.3 | -178.3 | 56.4 | 0 | 0 | 0 | 0 | 112.6 | W20 A21 | W20-T23 PolarHBondContact O-N 3.19Å; A21-T23 VanDerWaalsContact C-N 3.3Å; A21-T23 PolarHBondContact O-N 2.8Å |
| 24 | A | 91.5 | Very high | 93.8 | Very high | 24 Ų | 24 | 62.9 Ų | 62.9 | 20% | 0.198 | 37% | 0.373 | C | S | . | . | trans | -72.9 | 141.4 | -178.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | W20 S26 | W20-A24 HydrophobicContact CD2-CB 4.17Å; W20-A24 HydrophobicContact CE3-CB 4.16Å; W20-A24 HydrophobicContact CH2-CB 3.56Å; W20-A24 HydrophobicContact CZ2-CB 3.6Å; W20-A24 HydrophobicContact CZ3-CB 3.88Å; W20-A24 PolarHBondContact O-N 2.86Å; A24-S26 VanDerWaalsContact C-N 3.28Å | ||
| 25 | V | 88 | Confident | 93.9 | Very high | 151 Ų | 151 | 62.8 Ų | 62.8 | 92% | 0.915 | 37% | 0.37 | S | S | * | . | S | Bend | trans | -65.2 | -35.8 | 171.8 | 177.7 | 0 | 0 | 0 | 0 | 111 | ||
| 26 | S | 89.4 | Confident | 94.1 | Very high | 44 Ų | 44 | 59.9 Ų | 59.9 | 31% | 0.308 | 36% | 0.359 | S | S | . | . | S | Bend | trans | -129.3 | 83.2 | 178.5 | -60.7 | 0 | 0 | 0 | 0 | 109.6 | W20 A24 D28 D29 | W20-S26 WeakPolarHBondContact CH2-O 3.43Å; A24-S26 VanDerWaalsContact C-N 3.28Å; S26-D28 PolarHBondContact O-N 3.14Å; S26-D29 PolarHBondContact O-N 3.09Å; S26-D29 VanDerWaalsContact O-N 3.12Å |
| 27 | P | 90.2 | Very high | 94.3 | Very high | 58 Ų | 58 | 58.4 Ų | 58.4 | 38% | 0.377 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | -25.4 | -173.9 | 23.9 | -34.1 | 0 | 0 | 0 | 114 | A21 | A21-P27 HydrophobicContact CB-CB 3.98Š|
| 28 | D | 90.3 | Very high | 94.5 | Very high | 79 Ų | 79 | 59.2 Ų | 59.2 | 42% | 0.422 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.4 | -5 | 179.8 | -55.7 | -43.8 | 0 | 0 | 0 | 113.5 | S26 | S26-D28 PolarHBondContact O-N 3.14Š|
| 29 | D | 95.8 | Very high | 94.9 | Very high | 3 Ų | 3 | 54.8 Ų | 54.8 | 2% | 0.016 | 32% | 0.315 | C | S | . | . | S | Bend | trans | -122.7 | 59 | -177.6 | -165.6 | 22.3 | 0 | 0 | 0 | 111.9 | S26 F60 L61 H95 | S26-D29 PolarHBondContact O-N 3.09Å; S26-D29 VanDerWaalsContact O-N 3.12Å; D29-F60 HydrophobicContact CB-CD1 4.45Å; D29-F60 WeakPolarHBondContact OD1-CA 3.49Å; D29-F60 WeakPolarHBondContact OD1-CD1 3.48Å; D29-L61 WeakPolarHBondContact OD1-CB 3.36Å; D29-L61 PolarHBondContact OD1-N 3.26Å; D29-L61 WeakPolarHBondContact OD2-CB 3.45Å; D29-H95 WeakPolarHBondContact OD2-CA 3.45Å |
| 30 | S | 96.6 | Very high | 95.1 | Very high | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 30% | 0.297 | C | S | . | . | trans | -56.6 | 133.1 | 180 | 178.5 | 0 | 0 | 0 | 0 | 112.4 | Q13 D14 R62 | Q13-S30 PolarHBondContact N-OG 2.59Å; D14-S30 PolarHBondContact N-OG 2.81Å; D14-S30 PolarHBondContact OD1-OG 2.67Å; S30-R62 WeakPolarHBondContact O-CB 3.32Å | ||
| 31 | P | 97.7 | Very high | 95.3 | Very high | 29 Ų | 29 | 55 Ų | 55 | 19% | 0.188 | 31% | 0.311 | C | S | . | . | trans | -72 | 176.5 | 167.7 | 33.2 | -34.8 | 0 | 0 | 0 | 110.9 | Q13 W20 L61 | Q13-P31 HydrophobicContact CB-CG 4.11Å; Q13-P31 PolarHBondContact N-O 2.66Å; W20-P31 HydrophobicContact CZ2-CG 4.15Å; P31-L61 HydrophobicContact CB-CD2 3.8Å; P31-L61 HydrophobicContact CB-CG 4.28Å | ||
| 32 | L | 98.5 | Very high | 95.6 | Very high | 7 Ų | 7 | 54.4 Ų | 54.4 | 4% | 0.037 | 30% | 0.3 | C | S | . | . | B | Isolated β-bridge | trans | -65 | 145.5 | 166.7 | -62.1 | -176.7 | 0 | 0 | 0 | 111.5 | A10 E11 A40 R62 Q65 | A10-L32 HydrophobicContact CB-CD1 4.25Å; A10-L32 HydrophobicContact CB-CD2 3.78Å; A10-L32 WeakPolarHBondContact O-CD2 3.46Å; E11-L32 CarbonylContact O-C 3.59Å; E11-L32 VanDerWaalsContact O-CA 3.29Å; E11-L32 WeakPolarHBondContact O-CA 3.11Å; E11-L32 WeakPolarHBondContact O-CD2 3.29Å; L32-A40 HydrophobicContact CD1-CB 4.14Å; L32-R62 HydrophobicContact CD2-CB 3.82Å; L32-R62 HydrophobicContact CG-CB 4.44Å; L32-Q65 HydrophobicContact CD1-CB 3.72Å; L32-Q65 HydrophobicContact CG-CB 3.96Å |
| 33 | A | 97.9 | Very high | 95.9 | Very high | 3 Ų | 3 | 44 Ų | 44 | 3% | 0.025 | 26% | 0.261 | C | S | . | . | trans | -77.6 | 172.1 | 165.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | E11 V16 K35 G36 H37 | E11-A33 HydrophobicContact CG-CB 4.44Å; E11-A33 PolarHBondContact O-N 2.7Å; V16-A33 HydrophobicContact CB-CB 4.49Å; V16-A33 HydrophobicContact CG2-CB 3.7Å; A33-K35 VanDerWaalsContact C-N 3.32Å; A33-K35 PolarHBondContact O-N 3.44Å; A33-G36 WeakPolarHBondContact O-CA 3.47Å; A33-G36 PolarHBondContact O-N 2.9Å; A33-H37 PolarHBondContact O-CD2 2.97Å; A33-H37 VanDerWaalsContact O-CD2 3.29Å; A33-H37 PolarHBondContact O-N 2.8Å | ||
| 34 | A | 98.1 | Very high | 96.2 | Very high | 81 Ų | 81 | 38.1 Ų | 38.1 | 67% | 0.669 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -53.4 | -46.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | G36 H37 V38 | A34-G36 VanDerWaalsContact C-N 3.33Å; A34-G36 PolarHBondContact O-N 2.99Å; A34-H37 PolarHBondContact O-N 3.14Å; A34-V38 PolarHBondContact O-N 2.94Å |
| 35 | K | 98.1 | Very high | 96.6 | Very high | 42 Ų | 42 | 44 Ų | 44 | 18% | 0.183 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -64.5 | -37 | 173.6 | 171 | 174.8 | 170.6 | 174.4 | 0 | 112 | E11 A33 H37 V38 Q39 D205 T207 | E11-K35 WeakPolarHBondContact OE2-CB 3.38Å; A33-K35 VanDerWaalsContact C-N 3.32Å; A33-K35 PolarHBondContact O-N 3.44Å; K35-H37 VanDerWaalsContact C-N 3.31Å; K35-H37 PolarHBondContact O-N 3.39Å; K35-V38 WeakPolarHBondContact O-CB 3.17Å; K35-V38 PolarHBondContact O-N 3.34Å; K35-V38 VanDerWaalsContact O-N 3.14Å; K35-Q39 HydrophobicContact CG-CG 4.28Å; K35-Q39 WeakPolarHBondContact O-CG 3.47Å; K35-Q39 PolarHBondContact O-N 3.03Å; K35-D205 WeakPolarHBondContact CE-OD2 3.13Å; K35-D205 IonicContact NZ-OD1 2.67Å; K35-D205 IonicContact NZ-OD2 2.81Å; K35-D205 PolarHBondContact NZ-OD2 2.87Å; K35-T207 PolarHBondContact NZ-O 3.25Å; K35-T207 PolarHBondContact NZ-OG1 3.45Å |
| 36 | G | 98.7 | Very high | 97.1 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -59.2 | -40.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113 | A10 A33 A34 Q39 A40 | A10-G36 WeakPolarHBondContact CB-O 3.32Å; A33-G36 WeakPolarHBondContact O-CA 3.47Å; A33-G36 PolarHBondContact O-N 2.9Å; A34-G36 VanDerWaalsContact C-N 3.33Å; A34-G36 PolarHBondContact O-N 2.99Å; G36-Q39 PolarHBondContact O-N 3.44Å; G36-A40 WeakPolarHBondContact O-CB 3.49Å; G36-A40 PolarHBondContact O-N 3.33Å |
| 37 | H | 98.8 | Very high | 97.5 | Very high | 59 Ų | 59 | 37.6 Ų | 37.6 | 27% | 0.273 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -63.3 | -40.3 | 173.6 | -77.9 | -79.3 | 0 | 0 | 0 | 112.8 | A33 A34 K35 A40 F41 Y69 | A33-H37 PolarHBondContact O-CD2 2.97Å; A33-H37 VanDerWaalsContact O-CD2 3.29Å; A33-H37 PolarHBondContact O-N 2.8Å; A34-H37 PolarHBondContact O-N 3.14Å; K35-H37 VanDerWaalsContact C-N 3.31Å; K35-H37 PolarHBondContact O-N 3.39Å; H37-A40 PolarHBondContact O-N 3.28Å; H37-F41 WeakPolarHBondContact O-CB 3.3Å; H37-F41 PolarHBondContact O-N 3.43Å; H37-Y69 AromaticContact ND1-CE2 3.51Å; H37-Y69 AromaticContact ND1-CZ 3.69Å; H37-Y69 PolarHBondContact ND1-OH 3.12Å |
| 38 | V | 98.7 | Very high | 97.8 | Very high | 75 Ų | 75 | 39.1 Ų | 39.1 | 46% | 0.455 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -63.2 | -47.3 | 174.5 | 177 | 0 | 0 | 0 | 0 | 110.9 | A34 K35 A40 F41 E42 | A34-V38 PolarHBondContact O-N 2.94Å; K35-V38 WeakPolarHBondContact O-CB 3.17Å; K35-V38 PolarHBondContact O-N 3.34Å; K35-V38 VanDerWaalsContact O-N 3.14Å; V38-A40 PolarHBondContact O-N 3.19Å; V38-F41 WeakPolarHBondContact O-CB 3.21Å; V38-F41 PolarHBondContact O-N 2.87Å; V38-E42 WeakPolarHBondContact O-CG 3.35Å; V38-E42 PolarHBondContact O-N 3.2Å |
| 39 | Q | 98.8 | Very high | 98.1 | Very high | 4 Ų | 4 | 41.3 Ų | 41.3 | 2% | 0.019 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -59.1 | -45.4 | 177.8 | -69.3 | 176.3 | -31.1 | 0 | 0 | 111.9 | A10 K35 G36 F41 E42 A43 C178 L203 | A10-Q39 HydrophobicContact CB-CB 3.94Å; K35-Q39 HydrophobicContact CG-CG 4.28Å; K35-Q39 WeakPolarHBondContact O-CG 3.47Å; K35-Q39 PolarHBondContact O-N 3.03Å; G36-Q39 PolarHBondContact O-N 3.44Å; Q39-F41 VanDerWaalsContact C-N 3.33Å; Q39-F41 PolarHBondContact O-N 2.82Å; Q39-E42 PolarHBondContact O-N 3.24Å; Q39-A43 PolarHBondContact O-N 2.78Å; Q39-C178 HydrophobicContact CB-CB 3.68Å; Q39-C178 HydrophobicContact CG-CB 4.4Å; Q39-C178 PolarHBondContact O-SG 2.96Å; Q39-L203 HydrophobicContact CB-CD2 3.94Å; Q39-L203 HydrophobicContact CG-CD2 4.07Å |
| 40 | A | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -62.8 | -39.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | A10 L32 G36 H37 V38 A43 A44 T66 Y69 | A10-A40 HydrophobicContact CB-CB 4.38Å; L32-A40 HydrophobicContact CD1-CB 4.14Å; G36-A40 WeakPolarHBondContact O-CB 3.49Å; G36-A40 PolarHBondContact O-N 3.33Å; H37-A40 PolarHBondContact O-N 3.28Å; V38-A40 PolarHBondContact O-N 3.19Å; A40-A43 PolarHBondContact O-N 2.8Å; A40-A44 WeakPolarHBondContact O-CB 3.24Å; A40-A44 PolarHBondContact O-N 3.35Å; A40-T66 HydrophobicContact CB-CG2 4.13Å; A40-Y69 HydrophobicContact CB-CD2 3.47Å; A40-Y69 VanDerWaalsContact CB-CD2 3.47Å; A40-Y69 HydrophobicContact CB-CE2 3.99Å; A40-Y69 HydrophobicContact CB-CG 4.07Å |
| 41 | F | 98.8 | Very high | 98 | Very high | 107 Ų | 107 | 50.6 Ų | 50.6 | 47% | 0.469 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -63.6 | -42.2 | 173.5 | 177.6 | -103 | 0 | 0 | 0 | 112.4 | H37 V38 Q39 A44 R45 Y69 | H37-F41 WeakPolarHBondContact O-CB 3.3Å; H37-F41 PolarHBondContact O-N 3.43Å; V38-F41 WeakPolarHBondContact O-CB 3.21Å; V38-F41 PolarHBondContact O-N 2.87Å; Q39-F41 VanDerWaalsContact C-N 3.33Å; Q39-F41 PolarHBondContact O-N 2.82Å; F41-A44 WeakPolarHBondContact O-CB 3.27Å; F41-A44 PolarHBondContact O-N 3.07Å; F41-R45 VanDerWaalsContact CE1-CD 3.43Å; F41-R45 HydrophobicContact CE1-CG 4.14Å; F41-R45 HydrophobicContact CZ-CG 4.14Å; F41-R45 WeakPolarHBondContact O-CG 3.44Å; F41-R45 PolarHBondContact O-N 3.33Å; F41-Y69 HydrophobicContact CB-CD1 3.94Å; F41-Y69 HydrophobicContact CB-CE1 4.03Å; F41-Y69 HydrophobicContact CD2-CD1 4.1Å; F41-Y69 HydrophobicContact CD2-CE1 4.31Å |
| 42 | E | 98.8 | Very high | 98 | Very high | 31 Ų | 31 | 50 Ų | 50 | 15% | 0.145 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -65.2 | -40.6 | 176.2 | -71.4 | 177.5 | 159.7 | 0 | 0 | 112.3 | V38 Q39 R45 R46 L203 S204 | V38-E42 WeakPolarHBondContact O-CG 3.35Å; V38-E42 PolarHBondContact O-N 3.2Å; Q39-E42 PolarHBondContact O-N 3.24Å; E42-R45 PolarHBondContact O-N 2.75Å; E42-R46 PolarHBondContact O-N 3.04Å; E42-L203 HydrophobicContact CB-CD2 4.32Å; E42-L203 VanDerWaalsContact OE2-CA 3.31Å; E42-L203 WeakPolarHBondContact OE2-CA 3.45Å; E42-S204 WeakPolarHBondContact OE1-CB 3.46Å; E42-S204 PolarHBondContact OE1-OG 3.28Å; E42-S204 PolarHBondContact OE2-N 2.71Å; E42-S204 PolarHBondContact OE2-OG 2.79Å |
| 43 | A | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -61.8 | -43.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | L7 Q39 A40 R45 R46 L47 | L7-A43 HydrophobicContact CD1-CB 4.19Å; L7-A43 HydrophobicContact CD2-CB 4.14Å; Q39-A43 PolarHBondContact O-N 2.78Å; A40-A43 PolarHBondContact O-N 2.8Å; A43-R45 PolarHBondContact O-N 2.9Å; A43-R46 PolarHBondContact O-N 3.19Å; A43-L47 WeakPolarHBondContact O-CB 3.35Å; A43-L47 WeakPolarHBondContact O-CG 3.44Å; A43-L47 PolarHBondContact O-N 3Å |
| 44 | A | 98.8 | Very high | 97.9 | Very high | 3 Ų | 3 | 55.8 Ų | 55.8 | 3% | 0.025 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -60.8 | -44.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | A40 F41 R46 L47 Q48 Y69 V70 A73 | A40-A44 WeakPolarHBondContact O-CB 3.24Å; A40-A44 PolarHBondContact O-N 3.35Å; F41-A44 WeakPolarHBondContact O-CB 3.27Å; F41-A44 PolarHBondContact O-N 3.07Å; A44-R46 VanDerWaalsContact C-N 3.25Å; A44-R46 PolarHBondContact O-N 2.69Å; A44-L47 PolarHBondContact O-N 2.91Å; A44-Q48 WeakPolarHBondContact O-CB 3.44Å; A44-Q48 PolarHBondContact O-N 3.46Å; A44-Y69 VanDerWaalsContact CB-C 3.45Å; A44-Y69 VanDerWaalsContact CB-O 3.26Å; A44-Y69 WeakPolarHBondContact CB-O 3.34Å; A44-V70 HydrophobicContact CB-CG2 4.16Å; A44-A73 HydrophobicContact CB-CB 4.06Å |
| 45 | R | 98.5 | Very high | 98 | Very high | 147 Ų | 147 | 52 Ų | 52 | 56% | 0.555 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -62.7 | -30.2 | 175.6 | -74.3 | -173.5 | 71.3 | -167.7 | 5.2 | 113.6 | F41 E42 A43 Q48 N49 | F41-R45 VanDerWaalsContact CE1-CD 3.43Å; F41-R45 HydrophobicContact CE1-CG 4.14Å; F41-R45 HydrophobicContact CZ-CG 4.14Å; F41-R45 WeakPolarHBondContact O-CG 3.44Å; F41-R45 PolarHBondContact O-N 3.33Å; E42-R45 PolarHBondContact O-N 2.75Å; A43-R45 PolarHBondContact O-N 2.9Å; R45-Q48 VanDerWaalsContact O-CG 3.32Å; R45-Q48 WeakPolarHBondContact O-CG 3.46Å; R45-Q48 PolarHBondContact O-NE2 3.24Å; R45-N49 PolarHBondContact O-ND2 2.83Å |
| 46 | R | 98.5 | Very high | 98 | Very high | 62 Ų | 62 | 50 Ų | 50 | 23% | 0.234 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -73.7 | -44.9 | 173.5 | 173.2 | 61.8 | -170.6 | 81.1 | -1 | 111.2 | E42 A43 A44 E50 L180 H202 | E42-R46 PolarHBondContact O-N 3.04Å; A43-R46 PolarHBondContact O-N 3.19Å; A44-R46 VanDerWaalsContact C-N 3.25Å; A44-R46 PolarHBondContact O-N 2.69Å; R46-E50 IonicContact CZ-OE1 2.7Å; R46-E50 IonicContact NH1-OE1 3.21Å; R46-E50 PolarHBondContact NH1-OE1 3.05Å; R46-E50 IonicContact NH2-OE1 3.95Å; R46-E50 PolarHBondContact NH2-OE1 3.26Å; R46-L180 HydrophobicContact CG-CD1 3.75Å; R46-H202 HydrophobicContact CB-CB 3.65Å; R46-H202 HydrophobicContact CG-CB 3.93Å |
| 47 | L | 98.5 | Very high | 98 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -77.7 | -22.6 | -175 | -73.1 | -179.6 | 0 | 0 | 0 | 113.9 | W5 L7 A43 A44 N49 E50 I52 V70 L153 L180 | W5-L47 HydrophobicContact CD2-CD2 4.21Å; W5-L47 HydrophobicContact CE3-CD2 4.14Å; W5-L47 HydrophobicContact CZ3-CD2 4.45Å; L7-L47 HydrophobicContact CD2-CD1 4.37Å; A43-L47 WeakPolarHBondContact O-CB 3.35Å; A43-L47 WeakPolarHBondContact O-CG 3.44Å; A43-L47 PolarHBondContact O-N 3Å; A44-L47 PolarHBondContact O-N 2.91Å; L47-N49 PolarHBondContact O-N 2.87Å; L47-N49 VanDerWaalsContact O-N 3.14Å; L47-E50 HydrophobicContact CD2-CG 4.35Å; L47-E50 WeakPolarHBondContact O-CA 3.4Å; L47-E50 WeakPolarHBondContact O-CB 3.34Å; L47-E50 PolarHBondContact O-N 3.29Å; L47-I52 HydrophobicContact CB-CD1 3.84Å; L47-I52 HydrophobicContact CD1-CD1 4.15Å; L47-I52 HydrophobicContact CD2-CD1 4.13Å; L47-I52 HydrophobicContact CG-CD1 4.26Å; L47-V70 HydrophobicContact CB-CG1 4.16Å; L47-V70 HydrophobicContact CD1-CG1 4.01Å; L47-V70 HydrophobicContact CD1-CG2 3.95Å; L47-L153 HydrophobicContact CD1-CD1 4.06Å; L47-L153 HydrophobicContact CD1-CD2 3.87Å; L47-L180 HydrophobicContact CD1-CD2 3.99Å; L47-L180 HydrophobicContact CD2-CD1 4.03Å; L47-L180 HydrophobicContact CD2-CD2 3.95Å; L47-L180 HydrophobicContact CG-CD1 4.32Å; L47-L180 HydrophobicContact CG-CD2 4.17Å |
| 48 | Q | 97 | Very high | 98 | Very high | 90 Ų | 90 | 47.1 Ų | 47.1 | 42% | 0.421 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | -24.3 | 175.3 | 78.6 | -170.1 | -35.3 | 0 | 0 | 113 | A44 R45 E50 A73 | A44-Q48 WeakPolarHBondContact O-CB 3.44Å; A44-Q48 PolarHBondContact O-N 3.46Å; R45-Q48 VanDerWaalsContact O-CG 3.32Å; R45-Q48 WeakPolarHBondContact O-CG 3.46Å; R45-Q48 PolarHBondContact O-NE2 3.24Å; Q48-E50 VanDerWaalsContact C-N 3.29Å; Q48-A73 HydrophobicContact CB-CB 4.15Å |
| 49 | N | 95.3 | Very high | 98 | Very high | 125 Ų | 125 | 43.6 Ų | 43.6 | 67% | 0.668 | 19% | 0.193 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86.7 | -3.1 | 177.5 | -58.9 | -48.9 | 0 | 0 | 0 | 112.4 | R45 L47 | R45-N49 PolarHBondContact O-ND2 2.83Å; L47-N49 PolarHBondContact O-N 2.87Å; L47-N49 VanDerWaalsContact O-N 3.14Å |
| 50 | E | 96 | Very high | 98 | Very high | 49 Ų | 49 | 43.7 Ų | 43.7 | 23% | 0.229 | 19% | 0.193 | C | C | . | . | S | Bend | trans | -101.2 | 141.9 | 175.8 | -59.1 | -67.4 | 165 | 0 | 0 | 109.2 | W5 R46 L47 Q48 I52 | W5-E50 HydrophobicContact CH2-CG 4.14Å; W5-E50 HydrophobicContact CZ2-CB 4.38Å; W5-E50 HydrophobicContact CZ2-CG 3.73Å; R46-E50 IonicContact CZ-OE1 2.7Å; R46-E50 IonicContact NH1-OE1 3.21Å; R46-E50 PolarHBondContact NH1-OE1 3.05Å; R46-E50 IonicContact NH2-OE1 3.95Å; R46-E50 PolarHBondContact NH2-OE1 3.26Å; L47-E50 HydrophobicContact CD2-CG 4.35Å; L47-E50 WeakPolarHBondContact O-CA 3.4Å; L47-E50 WeakPolarHBondContact O-CB 3.34Å; L47-E50 PolarHBondContact O-N 3.29Å; Q48-E50 VanDerWaalsContact C-N 3.29Å; E50-I52 VanDerWaalsContact C-N 3.31Å; E50-I52 HydrophobicContact CB-CG1 4.34Å; E50-I52 PolarHBondContact O-N 3.06Å |
| 51 | K | 94.4 | Very high | 98 | Very high | 148 Ų | 148 | 44.4 Ų | 44.4 | 64% | 0.643 | 20% | 0.197 | S | C | * | . | trans | -77.5 | 80.2 | 174.9 | -168.4 | -173.3 | -177.5 | -163.8 | 0 | 110.1 | H53 S151 | K51-H53 VanDerWaalsContact CE-NE2 3.25Å; K51-H53 WeakPolarHBondContact CE-NE2 3.36Å; K51-H53 PolarHBondContact O-CE1 3.32Å; K51-H53 PolarHBondContact O-ND1 3.46Å; K51-S151 WeakPolarHBondContact O-CB 3.38Å; K51-S151 PolarHBondContact O-OG 3.4Å | ||
| 52 | I | 97.5 | Very high | 98 | Very high | 16 Ų | 16 | 39.4 Ų | 39.4 | 8% | 0.082 | 18% | 0.175 | C | C | . | . | trans | -82 | 138.1 | 172.1 | -58.2 | 174.9 | 0 | 0 | 0 | 109.1 | L47 E50 Y54 I55 V70 L76 L153 | L47-I52 HydrophobicContact CB-CD1 3.84Å; L47-I52 HydrophobicContact CD1-CD1 4.15Å; L47-I52 HydrophobicContact CD2-CD1 4.13Å; L47-I52 HydrophobicContact CG-CD1 4.26Å; E50-I52 VanDerWaalsContact C-N 3.31Å; E50-I52 HydrophobicContact CB-CG1 4.34Å; E50-I52 PolarHBondContact O-N 3.06Å; I52-Y54 WeakPolarHBondContact CG2-O 3.36Å; I52-I55 HydrophobicContact CG2-CG1 4.19Å; I52-V70 HydrophobicContact CD1-CG1 4.2Å; I52-L76 HydrophobicContact CB-CD1 4.05Å; I52-L76 HydrophobicContact CG2-CD1 3.73Å; I52-L76 WeakPolarHBondContact O-CD1 3.27Å; I52-L153 HydrophobicContact CD1-CB 4.34Å; I52-L153 HydrophobicContact CD1-CD2 4.39Å; I52-L153 HydrophobicContact CG2-CB 4.11Å | ||
| 53 | H | 97.3 | Very high | 98 | Very high | 52 Ų | 52 | 38 Ų | 38 | 24% | 0.241 | 17% | 0.168 | C | C | . | . | trans | -107.3 | -35.6 | 179.1 | -58.6 | 79.1 | 0 | 0 | 0 | 111.9 | K51 S149 V150 S151 | K51-H53 VanDerWaalsContact CE-NE2 3.25Å; K51-H53 WeakPolarHBondContact CE-NE2 3.36Å; K51-H53 PolarHBondContact O-CE1 3.32Å; K51-H53 PolarHBondContact O-ND1 3.46Å; H53-S149 PolarHBondContact CE1-O 3.14Å; H53-V150 HydrophobicContact CB-CG1 4.48Å; H53-S151 WeakPolarHBondContact CB-O 3.47Å; H53-S151 PolarHBondContact N-O 3.05Å; H53-S151 PolarHBondContact ND1-N 3.34Å | ||
| 54 | Y | 98.3 | Very high | 98 | Very high | 81 Ų | 81 | 38 Ų | 38 | 32% | 0.318 | 17% | 0.168 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 141.3 | -177.5 | -54.4 | -69.4 | 0 | 0 | 0 | 111.4 | I52 Y143 V150 I152 L153 | I52-Y54 WeakPolarHBondContact CG2-O 3.36Å; Y54-Y143 AromaticContact CD1-CD1 3.86Å; Y54-Y143 HydrophobicContact CD1-CD1 3.86Å; Y54-Y143 HydrophobicContact CD1-CE1 4.2Å; Y54-Y143 AromaticContact CD2-CD1 3.9Å; Y54-Y143 HydrophobicContact CD2-CD1 3.9Å; Y54-Y143 HydrophobicContact CD2-CG 4.36Å; Y54-Y143 AromaticContact CE1-CD1 3.82Å; Y54-Y143 HydrophobicContact CE1-CD1 3.82Å; Y54-Y143 HydrophobicContact CE1-CE1 4.2Å; Y54-Y143 AromaticContact CE2-CD1 3.85Å; Y54-Y143 HydrophobicContact CE2-CD1 3.85Å; Y54-Y143 HydrophobicContact CE2-CG 4.45Å; Y54-Y143 AromaticContact CG-CD1 3.9Å; Y54-Y143 HydrophobicContact CG-CD1 3.9Å; Y54-Y143 AromaticContact CZ-CD1 3.82Å; Y54-V150 HydrophobicContact CD2-CG1 4.3Å; Y54-V150 HydrophobicContact CE2-CG1 4.22Å; Y54-I152 HydrophobicContact CD2-CG1 4.14Å; Y54-I152 WeakPolarHBondContact O-CA 3.29Å; Y54-L153 PolarHBondContact O-N 3.34Å |
| 55 | I | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 123.9 | 173.4 | -56.8 | 175.4 | 0 | 0 | 0 | 108.3 | I52 A67 V70 A71 L76 I78 K79 L153 | I52-I55 HydrophobicContact CG2-CG1 4.19Å; I55-A67 HydrophobicContact CG2-CB 4.16Å; I55-V70 HydrophobicContact CD1-CB 4.24Å; I55-V70 HydrophobicContact CD1-CG1 3.97Å; I55-A71 HydrophobicContact CD1-CB 4.13Å; I55-L76 HydrophobicContact CD1-CB 3.9Å; I55-L76 HydrophobicContact CD1-CD1 4.16Å; I55-L76 HydrophobicContact CG1-CB 4.29Å; I55-L76 HydrophobicContact CG1-CD1 4.05Å; I55-I78 HydrophobicContact CG2-CG2 4.4Å; I55-K79 PolarHBondContact O-N 2.87Å; I55-L153 HydrophobicContact CG1-CB 4.36Å; I55-L153 HydrophobicContact CG1-CD2 4.27Å; I55-L153 HydrophobicContact CG2-CD2 4.17Å |
| 56 | F | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 140.7 | 169.4 | -60.9 | -97.7 | 0 | 0 | 0 | 109.4 | K79 E81 L84 Y112 I139 Y143 I152 L153 L154 V155 | F56-K79 CarbonylContact C-O 3.6Å; F56-K79 WeakPolarHBondContact CA-O 3.47Å; F56-K79 HydrophobicContact CD1-CB 3.52Å; F56-K79 HydrophobicContact CD1-CD 4.28Å; F56-K79 HydrophobicContact CE1-CB 3.7Å; F56-K79 HydrophobicContact CE1-CD 3.58Å; F56-K79 HydrophobicContact CE1-CG 4.26Å; F56-K79 HydrophobicContact CG-CB 4.21Å; F56-K79 HydrophobicContact CZ-CD 3.77Å; F56-E81 HydrophobicContact CD1-CB 4.47Å; F56-L84 HydrophobicContact CB-CD1 3.9Å; F56-Y112 HydrophobicContact CD1-CE1 4.36Å; F56-Y112 HydrophobicContact CE1-CE1 4.44Å; F56-Y112 AromaticContact CE1-CE2 3.85Å; F56-Y112 HydrophobicContact CE1-CE2 3.85Å; F56-Y112 AromaticContact CE1-CZ 3.74Å; F56-I139 HydrophobicContact CB-CD1 4.3Å; F56-I139 HydrophobicContact CD1-CD1 3.74Å; F56-I139 HydrophobicContact CD1-CG1 4.07Å; F56-I139 HydrophobicContact CD2-CD1 4.34Å; F56-I139 HydrophobicContact CD2-CG2 4.04Å; F56-I139 HydrophobicContact CE1-CD1 4.12Å; F56-I139 HydrophobicContact CE1-CG1 3.92Å; F56-I139 HydrophobicContact CE1-CG2 4.35Å; F56-I139 HydrophobicContact CE2-CG2 3.61Å; F56-I139 HydrophobicContact CG-CD1 3.87Å; F56-I139 HydrophobicContact CG-CG1 4.48Å; F56-I139 HydrophobicContact CZ-CG1 4.2Å; F56-I139 HydrophobicContact CZ-CG2 3.79Å; F56-Y143 HydrophobicContact CE1-CD2 4.39Å; F56-Y143 HydrophobicContact CE1-CE2 4Å; F56-Y143 HydrophobicContact CZ-CD1 4.14Å; F56-Y143 AromaticContact CZ-CD2 3.65Å; F56-Y143 HydrophobicContact CZ-CD2 3.65Å; F56-Y143 HydrophobicContact CZ-CE1 4.15Å; F56-Y143 AromaticContact CZ-CE2 3.64Å; F56-Y143 HydrophobicContact CZ-CE2 3.64Å; F56-Y143 AromaticContact CZ-CG 3.91Å; F56-Y143 HydrophobicContact CZ-CG 3.91Å; F56-Y143 AromaticContact CZ-CZ 3.9Å; F56-I152 HydrophobicContact CD2-CG2 3.47Å; F56-I152 VanDerWaalsContact CD2-CG2 3.47Å; F56-I152 HydrophobicContact CE2-CG2 3.61Å; F56-L153 PolarHBondContact N-O 2.99Å; F56-L154 HydrophobicContact CB-CD2 3.86Å; F56-L154 HydrophobicContact CD2-CD2 4.01Å; F56-L154 HydrophobicContact CG-CD2 4.22Å; F56-V155 PolarHBondContact O-N 3.48Å |
| 57 | S | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 145 | 179.2 | -176.6 | 0 | 0 | 0 | 0 | 110.9 | C63 K79 I80 E81 V155 | S57-C63 WeakPolarHBondContact OG-CB 3.35Å; S57-C63 PolarHBondContact OG-O 3.27Å; S57-K79 PolarHBondContact N-O 3.37Å; S57-I80 WeakPolarHBondContact O-CA 3.48Å; S57-E81 PolarHBondContact O-N 2.85Å; S57-V155 WeakPolarHBondContact CA-O 3.1Å |
| 58 | S | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 14% | 0.141 | C | C | . | . | trans | -54.5 | 147.7 | 156.1 | 170.9 | 0 | 0 | 0 | 0 | 110.7 | F60 V64 S85 V155 H157 | S58-F60 VanDerWaalsContact C-N 3.27Å; S58-F60 PolarHBondContact O-N 3.31Å; S58-V64 WeakPolarHBondContact O-CG2 3.46Å; S58-S85 WeakPolarHBondContact OG-CA 3.26Å; S58-V155 PolarHBondContact N-O 2.81Å; S58-H157 WeakPolarHBondContact CB-NE2 3.45Å; S58-H157 PolarHBondContact OG-NE2 3.15Å | ||
| 59 | P | 98.5 | Very high | 98.1 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 13% | 0.134 | C | C | . | . | S | Bend | trans | -70.3 | -16 | 179.7 | 28.6 | -38.7 | 0 | 0 | 0 | 114.8 | I80 S85 H95 | P59-I80 HydrophobicContact CB-CG2 3.65Å; P59-I80 HydrophobicContact CG-CG2 4.5Å; P59-S85 WeakPolarHBondContact CD-OG 3.23Å; P59-S85 WeakPolarHBondContact CG-OG 3.49Å; P59-H95 HydrophobicContact CB-CB 4.42Å; P59-H95 VanDerWaalsContact CG-CD2 3.45Å; P59-H95 WeakPolarHBondContact CG-CD2 3.27Å; P59-H95 WeakPolarHBondContact CG-NE2 3.37Å |
| 60 | F | 98.4 | Very high | 98.3 | Very high | 6 Ų | 6 | 23.3 Ų | 23.3 | 3% | 0.026 | 10% | 0.103 | C | C | . | . | S | Bend | trans | -62.8 | 137.8 | -179.5 | -77.2 | -91.9 | 0 | 0 | 0 | 111.4 | D29 S58 R62 C63 V64 E86 L88 P93 H95 H157 | D29-F60 HydrophobicContact CB-CD1 4.45Å; D29-F60 WeakPolarHBondContact OD1-CA 3.49Å; D29-F60 WeakPolarHBondContact OD1-CD1 3.48Å; S58-F60 VanDerWaalsContact C-N 3.27Å; S58-F60 PolarHBondContact O-N 3.31Å; F60-R62 VanDerWaalsContact C-N 3.29Å; F60-R62 HydrophobicContact CB-CG 4.37Å; F60-R62 PolarHBondContact O-N 2.92Å; F60-R62 VanDerWaalsContact O-N 3.17Å; F60-C63 WeakPolarHBondContact O-CA 3.48Å; F60-C63 WeakPolarHBondContact O-CB 3.48Å; F60-C63 PolarHBondContact O-N 2.6Å; F60-V64 PolarHBondContact O-N 3.31Å; F60-V64 VanDerWaalsContact O-N 3.09Å; F60-E86 WeakPolarHBondContact CD1-OE1 3.29Å; F60-E86 HydrophobicContact CD2-CG 4.35Å; F60-E86 HydrophobicContact CE1-CG 4.47Å; F60-E86 WeakPolarHBondContact CE1-OE1 3.35Å; F60-E86 HydrophobicContact CE2-CG 3.77Å; F60-E86 WeakPolarHBondContact CE2-OE1 3.41Å; F60-E86 WeakPolarHBondContact CG-OE1 3.36Å; F60-E86 HydrophobicContact CZ-CG 3.83Å; F60-E86 WeakPolarHBondContact CZ-OE1 3.38Å; F60-L88 HydrophobicContact CE2-CD2 4.05Å; F60-L88 HydrophobicContact CZ-CD2 4.06Å; F60-P93 HydrophobicContact CZ-CB 4.13Å; F60-H95 HydrophobicContact CD1-CB 4.12Å; F60-H95 HydrophobicContact CD2-CB 4.49Å; F60-H95 HydrophobicContact CE1-CB 4.3Å; F60-H95 AromaticContact CE2-CD2 3.91Å; F60-H95 HydrophobicContact CG-CB 4.24Å; F60-H157 AromaticContact CD2-NE2 3.84Å |
| 61 | L | 98.5 | Very high | 98.4 | Very high | 16 Ų | 16 | 21 Ų | 21 | 8% | 0.084 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -52.3 | -44.9 | -170 | -179.5 | 58 | 0 | 0 | 0 | 112.4 | D29 P31 C63 V64 Q65 F105 | D29-L61 WeakPolarHBondContact OD1-CB 3.36Å; D29-L61 PolarHBondContact OD1-N 3.26Å; D29-L61 WeakPolarHBondContact OD2-CB 3.45Å; P31-L61 HydrophobicContact CB-CD2 3.8Å; P31-L61 HydrophobicContact CB-CG 4.28Å; L61-C63 VanDerWaalsContact C-N 3.31Å; L61-C63 PolarHBondContact O-N 2.98Å; L61-V64 PolarHBondContact O-N 2.9Å; L61-Q65 HydrophobicContact CD1-CG 4.05Å; L61-Q65 HydrophobicContact CG-CG 4.31Å; L61-Q65 WeakPolarHBondContact O-CB 3.29Å; L61-Q65 VanDerWaalsContact O-CG 3.31Å; L61-Q65 WeakPolarHBondContact O-CG 3.49Å; L61-Q65 PolarHBondContact O-N 2.84Å; L61-F105 HydrophobicContact CD1-CE2 3.53Å; L61-F105 HydrophobicContact CD1-CZ 3.63Å |
| 62 | R | 98.5 | Very high | 98.6 | Very high | 2 Ų | 2 | 18.7 Ų | 18.7 | 1% | 0.008 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -57.9 | -36.7 | 175.6 | 58.1 | -171.2 | -170 | -94.3 | 14 | 114.6 | H9 R12 S30 L32 F60 T66 E86 H157 | H9-R62 HydrophobicContact CB-CB 4.29Å; H9-R62 HydrophobicContact CB-CG 4.13Å; H9-R62 PolarHBondContact CD2-NE 2.92Å; H9-R62 PolarHBondContact NE2-NE 3.36Å; R12-R62 VanDerWaalsContact CG-CD 3.44Å; S30-R62 WeakPolarHBondContact O-CB 3.32Å; L32-R62 HydrophobicContact CD2-CB 3.82Å; L32-R62 HydrophobicContact CG-CB 4.44Å; F60-R62 VanDerWaalsContact C-N 3.29Å; F60-R62 HydrophobicContact CB-CG 4.37Å; F60-R62 PolarHBondContact O-N 2.92Å; F60-R62 VanDerWaalsContact O-N 3.17Å; R62-T66 WeakPolarHBondContact O-CB 3.28Å; R62-T66 PolarHBondContact O-N 2.91Å; R62-T66 VanDerWaalsContact O-N 3.15Å; R62-T66 PolarHBondContact O-OG1 3.14Å; R62-E86 IonicContact CZ-OE1 2.58Å; R62-E86 IonicContact NH1-OE1 3.81Å; R62-E86 PolarHBondContact NH1-OE1 2.73Å; R62-E86 IonicContact NH2-OE1 3.03Å; R62-E86 PolarHBondContact NH2-OE1 2.8Å; R62-E86 IonicContact NH2-OE2 3.5Å; R62-E86 PolarHBondContact NH2-OE2 2.91Å; R62-H157 VanDerWaalsContact CZ-CE1 3.4Å; R62-H157 PolarHBondContact NH2-CE1 3.21Å; R62-H157 PolarHBondContact NH2-ND1 3.4Å |
| 63 | C | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -72.4 | -45.6 | 176.2 | -68.8 | 0 | 0 | 0 | 0 | 110 | S57 F60 L61 Q65 T66 A67 V155 H157 | S57-C63 WeakPolarHBondContact OG-CB 3.35Å; S57-C63 PolarHBondContact OG-O 3.27Å; F60-C63 WeakPolarHBondContact O-CA 3.48Å; F60-C63 WeakPolarHBondContact O-CB 3.48Å; F60-C63 PolarHBondContact O-N 2.6Å; L61-C63 VanDerWaalsContact C-N 3.31Å; L61-C63 PolarHBondContact O-N 2.98Å; C63-Q65 PolarHBondContact O-N 2.98Å; C63-T66 WeakPolarHBondContact O-CB 3.49Å; C63-T66 PolarHBondContact O-N 3.33Å; C63-A67 WeakPolarHBondContact O-CB 3.02Å; C63-A67 PolarHBondContact O-N 3.2Å; C63-V155 HydrophobicContact CB-CG1 4.12Å; C63-H157 PolarHBondContact SG-CE1 3.01Å; C63-H157 PolarHBondContact SG-NE2 2.98Å; C63-H157 VanDerWaalsContact SG-NE2 3.42Å |
| 64 | V | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -63.8 | -42.5 | 179.2 | -176.5 | 0 | 0 | 0 | 0 | 111.3 | S58 F60 L61 T66 A67 N68 I80 L101 F105 V108 | S58-V64 WeakPolarHBondContact O-CG2 3.46Å; F60-V64 PolarHBondContact O-N 3.31Å; F60-V64 VanDerWaalsContact O-N 3.09Å; L61-V64 PolarHBondContact O-N 2.9Å; V64-T66 VanDerWaalsContact C-N 3.34Å; V64-T66 PolarHBondContact O-N 3.46Å; V64-A67 PolarHBondContact O-N 2.89Å; V64-N68 WeakPolarHBondContact O-CB 3.36Å; V64-N68 PolarHBondContact O-N 3.41Å; V64-I80 HydrophobicContact CG2-CD1 3.81Å; V64-L101 HydrophobicContact CB-CD2 4.42Å; V64-L101 HydrophobicContact CG1-CD2 4.37Å; V64-L101 HydrophobicContact CG2-CD1 4.17Å; V64-L101 HydrophobicContact CG2-CD2 4.13Å; V64-F105 HydrophobicContact CG1-CB 4.19Å; V64-F105 HydrophobicContact CG1-CD1 4.38Å; V64-F105 HydrophobicContact CG1-CD2 3.59Å; V64-F105 HydrophobicContact CG1-CE2 4.07Å; V64-F105 HydrophobicContact CG1-CG 3.78Å; V64-V108 HydrophobicContact CG1-CG2 4.21Å |
| 65 | Q | 98.9 | Very high | 98.7 | Very high | 27 Ų | 27 | 18.8 Ų | 18.8 | 13% | 0.126 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -59.1 | -45 | 173.1 | -75 | 177.4 | -44.2 | 0 | 0 | 111.4 | L32 L61 C63 N68 Y69 F105 | L32-Q65 HydrophobicContact CD1-CB 3.72Å; L32-Q65 HydrophobicContact CG-CB 3.96Å; L61-Q65 HydrophobicContact CD1-CG 4.05Å; L61-Q65 HydrophobicContact CG-CG 4.31Å; L61-Q65 WeakPolarHBondContact O-CB 3.29Å; L61-Q65 VanDerWaalsContact O-CG 3.31Å; L61-Q65 WeakPolarHBondContact O-CG 3.49Å; L61-Q65 PolarHBondContact O-N 2.84Å; C63-Q65 PolarHBondContact O-N 2.98Å; Q65-N68 PolarHBondContact O-N 3.29Å; Q65-Y69 VanDerWaalsContact O-CD2 3.24Å; Q65-Y69 WeakPolarHBondContact O-CD2 3.25Å; Q65-Y69 PolarHBondContact O-N 3.38Å; Q65-F105 HydrophobicContact CG-CE1 3.81Å; Q65-F105 HydrophobicContact CG-CZ 3.55Å |
| 66 | T | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -62.6 | -47.6 | 176.8 | -56.2 | 0 | 0 | 0 | 0 | 111.2 | L7 A10 A40 R62 C63 V64 N68 Y69 V155 | L7-T66 HydrophobicContact CD2-CG2 3.66Å; L7-T66 HydrophobicContact CG-CG2 4.09Å; A10-T66 PolarHBondContact N-OG1 2.8Å; A40-T66 HydrophobicContact CB-CG2 4.13Å; R62-T66 WeakPolarHBondContact O-CB 3.28Å; R62-T66 PolarHBondContact O-N 2.91Å; R62-T66 VanDerWaalsContact O-N 3.15Å; R62-T66 PolarHBondContact O-OG1 3.14Å; C63-T66 WeakPolarHBondContact O-CB 3.49Å; C63-T66 PolarHBondContact O-N 3.33Å; V64-T66 VanDerWaalsContact C-N 3.34Å; V64-T66 PolarHBondContact O-N 3.46Å; T66-N68 VanDerWaalsContact C-N 3.28Å; T66-N68 PolarHBondContact O-N 3.14Å; T66-Y69 PolarHBondContact O-N 3.16Å; T66-V155 HydrophobicContact CG2-CG1 4.25Å |
| 67 | A | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -62.9 | -33.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | I55 C63 V64 Y69 V70 A71 I78 V155 | I55-A67 HydrophobicContact CG2-CB 4.16Å; C63-A67 WeakPolarHBondContact O-CB 3.02Å; C63-A67 PolarHBondContact O-N 3.2Å; V64-A67 PolarHBondContact O-N 2.89Å; A67-Y69 PolarHBondContact O-N 3.43Å; A67-V70 PolarHBondContact O-N 2.89Å; A67-V70 VanDerWaalsContact O-N 3.17Å; A67-A71 WeakPolarHBondContact O-CB 3.26Å; A67-A71 PolarHBondContact O-N 3.14Å; A67-I78 HydrophobicContact CB-CD1 4.1Å; A67-I78 HydrophobicContact CB-CG1 4.38Å; A67-I78 HydrophobicContact CB-CG2 4.07Å; A67-V155 HydrophobicContact CB-CB 4.24Å; A67-V155 HydrophobicContact CB-CG1 4.44Å; A67-V155 HydrophobicContact CB-CG2 3.85Å |
| 68 | N | 98.9 | Very high | 98.6 | Very high | 23 Ų | 23 | 23.7 Ų | 23.7 | 12% | 0.123 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -65.7 | -37.4 | -178.8 | -166.8 | 79.9 | 0 | 0 | 0 | 113 | V64 Q65 T66 V70 A71 D72 I78 F105 N107 | V64-N68 WeakPolarHBondContact O-CB 3.36Å; V64-N68 PolarHBondContact O-N 3.41Å; Q65-N68 PolarHBondContact O-N 3.29Å; T66-N68 VanDerWaalsContact C-N 3.28Å; T66-N68 PolarHBondContact O-N 3.14Å; N68-V70 VanDerWaalsContact C-N 3.27Å; N68-V70 PolarHBondContact O-N 3.4Å; N68-A71 PolarHBondContact O-N 3.21Å; N68-D72 PolarHBondContact ND2-OD2 2.9Å; N68-D72 WeakPolarHBondContact O-CB 3.38Å; N68-D72 PolarHBondContact O-N 3.29Å; N68-I78 HydrophobicContact CB-CD1 4.03Å; N68-F105 HydrophobicContact CB-CD1 3.98Å; N68-N107 PolarHBondContact OD1-ND2 3.01Å |
| 69 | Y | 98.9 | Very high | 98.6 | Very high | 70 Ų | 70 | 24.6 Ų | 24.6 | 28% | 0.275 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -59.5 | -40.9 | 172.5 | -79.2 | -81.5 | 0 | 0 | 0 | 111.9 | H37 A40 F41 A44 Q65 T66 A67 A73 | H37-Y69 AromaticContact ND1-CE2 3.51Å; H37-Y69 AromaticContact ND1-CZ 3.69Å; H37-Y69 PolarHBondContact ND1-OH 3.12Å; A40-Y69 HydrophobicContact CB-CD2 3.47Å; A40-Y69 VanDerWaalsContact CB-CD2 3.47Å; A40-Y69 HydrophobicContact CB-CE2 3.99Å; A40-Y69 HydrophobicContact CB-CG 4.07Å; F41-Y69 HydrophobicContact CB-CD1 3.94Å; F41-Y69 HydrophobicContact CB-CE1 4.03Å; F41-Y69 HydrophobicContact CD2-CD1 4.1Å; F41-Y69 HydrophobicContact CD2-CE1 4.31Å; A44-Y69 VanDerWaalsContact CB-C 3.45Å; A44-Y69 VanDerWaalsContact CB-O 3.26Å; A44-Y69 WeakPolarHBondContact CB-O 3.34Å; Q65-Y69 VanDerWaalsContact O-CD2 3.24Å; Q65-Y69 WeakPolarHBondContact O-CD2 3.25Å; Q65-Y69 PolarHBondContact O-N 3.38Å; T66-Y69 PolarHBondContact O-N 3.16Å; A67-Y69 PolarHBondContact O-N 3.43Å; Y69-A73 WeakPolarHBondContact O-CB 3.3Å; Y69-A73 PolarHBondContact O-N 3.49Å |
| 70 | V | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -68.8 | -44.6 | 177.5 | -172.3 | 0 | 0 | 0 | 0 | 110.4 | L7 A44 L47 I52 I55 A67 N68 D72 A73 T74 L153 | L7-V70 HydrophobicContact CD2-CG2 4.24Å; A44-V70 HydrophobicContact CB-CG2 4.16Å; L47-V70 HydrophobicContact CB-CG1 4.16Å; L47-V70 HydrophobicContact CD1-CG1 4.01Å; L47-V70 HydrophobicContact CD1-CG2 3.95Å; I52-V70 HydrophobicContact CD1-CG1 4.2Å; I55-V70 HydrophobicContact CD1-CB 4.24Å; I55-V70 HydrophobicContact CD1-CG1 3.97Å; A67-V70 PolarHBondContact O-N 2.89Å; A67-V70 VanDerWaalsContact O-N 3.17Å; N68-V70 VanDerWaalsContact C-N 3.27Å; N68-V70 PolarHBondContact O-N 3.4Å; V70-D72 VanDerWaalsContact C-N 3.34Å; V70-D72 PolarHBondContact O-N 3.44Å; V70-A73 PolarHBondContact O-N 2.93Å; V70-A73 VanDerWaalsContact O-N 3.13Å; V70-T74 HydrophobicContact CG1-CG2 4.14Å; V70-T74 WeakPolarHBondContact O-CG2 3.31Å; V70-T74 PolarHBondContact O-N 3.18Å; V70-T74 PolarHBondContact O-OG1 2.99Å; V70-L153 HydrophobicContact CB-CD2 4.13Å; V70-L153 HydrophobicContact CG1-CD2 3.76Å; V70-L153 HydrophobicContact CG2-CD2 4.11Å |
| 71 | A | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -56.1 | -45.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | I55 A67 N68 A73 T74 G75 L76 I78 N107 | I55-A71 HydrophobicContact CD1-CB 4.13Å; A67-A71 WeakPolarHBondContact O-CB 3.26Å; A67-A71 PolarHBondContact O-N 3.14Å; N68-A71 PolarHBondContact O-N 3.21Å; A71-A73 VanDerWaalsContact C-N 3.34Å; A71-A73 PolarHBondContact O-N 3.4Å; A71-T74 PolarHBondContact O-N 3.5Å; A71-G75 WeakPolarHBondContact O-CA 3.5Å; A71-G75 PolarHBondContact O-N 3.48Å; A71-L76 VanDerWaalsContact CB-O 3.31Å; A71-L76 WeakPolarHBondContact CB-O 3.37Å; A71-L76 PolarHBondContact O-N 3.11Å; A71-I78 HydrophobicContact CB-CD1 4.04Å; A71-I78 HydrophobicContact CB-CG1 3.76Å; A71-N107 HydrophobicContact CB-CB 3.88Å |
| 72 | D | 98.6 | Very high | 98.7 | Very high | 99 Ų | 99 | 25.2 Ų | 25.2 | 53% | 0.529 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -62.6 | -40.2 | 176.1 | -72.2 | -26.7 | 0 | 0 | 0 | 111.8 | N68 V70 N107 | N68-D72 PolarHBondContact ND2-OD2 2.9Å; N68-D72 WeakPolarHBondContact O-CB 3.38Å; N68-D72 PolarHBondContact O-N 3.29Å; V70-D72 VanDerWaalsContact C-N 3.34Å; V70-D72 PolarHBondContact O-N 3.44Å; D72-N107 PolarHBondContact OD1-ND2 3.32Å |
| 73 | A | 98.3 | Very high | 98.7 | Very high | 43 Ų | 43 | 25.1 Ų | 25.1 | 36% | 0.355 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -73.4 | -28.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | A44 Q48 Y69 V70 A71 | A44-A73 HydrophobicContact CB-CB 4.06Å; Q48-A73 HydrophobicContact CB-CB 4.15Å; Y69-A73 WeakPolarHBondContact O-CB 3.3Å; Y69-A73 PolarHBondContact O-N 3.49Å; V70-A73 PolarHBondContact O-N 2.93Å; V70-A73 VanDerWaalsContact O-N 3.13Å; A71-A73 VanDerWaalsContact C-N 3.34Å; A71-A73 PolarHBondContact O-N 3.4Å |
| 74 | T | 97.9 | Very high | 98.7 | Very high | 40 Ų | 40 | 25.2 Ų | 25.2 | 25% | 0.245 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -104.6 | -9.4 | -177 | 63.2 | 0 | 0 | 0 | 0 | 114 | V70 A71 L76 | V70-T74 HydrophobicContact CG1-CG2 4.14Å; V70-T74 WeakPolarHBondContact O-CG2 3.31Å; V70-T74 PolarHBondContact O-N 3.18Å; V70-T74 PolarHBondContact O-OG1 2.99Å; A71-T74 PolarHBondContact O-N 3.5Å; T74-L76 VanDerWaalsContact C-N 3.28Å; T74-L76 PolarHBondContact O-N 3.45Å; T74-L76 WeakPolarHBondContact OG1-CB 3.32Å; T74-L76 WeakPolarHBondContact OG1-CD1 3.45Å; T74-L76 WeakPolarHBondContact OG1-CG 3.12Å |
| 75 | G | 98 | Very high | 98.7 | Very high | 68 Ų | 68 | 25.3 Ų | 25.3 | 70% | 0.701 | 15% | 0.153 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 67.2 | 24.3 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | A71 | A71-G75 WeakPolarHBondContact O-CA 3.5Å; A71-G75 PolarHBondContact O-N 3.48Å |
| 76 | L | 98.5 | Very high | 98.6 | Very high | 38 Ų | 38 | 25.8 Ų | 25.8 | 20% | 0.199 | 16% | 0.156 | C | C | . | . | P | Polyproline II helix | trans | -100.1 | 159.4 | -176.8 | -65.3 | 176.5 | 0 | 0 | 0 | 111.5 | I52 I55 A71 T74 | I52-L76 HydrophobicContact CB-CD1 4.05Å; I52-L76 HydrophobicContact CG2-CD1 3.73Å; I52-L76 WeakPolarHBondContact O-CD1 3.27Å; I55-L76 HydrophobicContact CD1-CB 3.9Å; I55-L76 HydrophobicContact CD1-CD1 4.16Å; I55-L76 HydrophobicContact CG1-CB 4.29Å; I55-L76 HydrophobicContact CG1-CD1 4.05Å; A71-L76 VanDerWaalsContact CB-O 3.31Å; A71-L76 WeakPolarHBondContact CB-O 3.37Å; A71-L76 PolarHBondContact O-N 3.11Å; T74-L76 VanDerWaalsContact C-N 3.28Å; T74-L76 PolarHBondContact O-N 3.45Å; T74-L76 WeakPolarHBondContact OG1-CB 3.32Å; T74-L76 WeakPolarHBondContact OG1-CD1 3.45Å; T74-L76 WeakPolarHBondContact OG1-CG 3.12Å |
| 77 | T | 98.8 | Very high | 98.5 | Very high | 65 Ų | 65 | 26.4 Ų | 26.4 | 40% | 0.399 | 16% | 0.16 | S | C | . | . | P | Polyproline II helix | trans | -91 | 157.1 | 171.3 | 63.5 | 0 | 0 | 0 | 0 | 112.2 | N107 | T77-N107 CarbonylContact C-O 3.54Å; T77-N107 VanDerWaalsContact CA-O 3.22Å; T77-N107 WeakPolarHBondContact CA-O 3.48Å; T77-N107 VanDerWaalsContact CB-O 3.31Å; T77-N107 WeakPolarHBondContact CB-O 3.45Å |
| 78 | I | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 117.6 | -179.3 | -50.2 | 167.4 | 0 | 0 | 0 | 109.4 | I55 A67 N68 A71 I80 N107 D109 | I55-I78 HydrophobicContact CG2-CG2 4.4Å; A67-I78 HydrophobicContact CB-CD1 4.1Å; A67-I78 HydrophobicContact CB-CG1 4.38Å; A67-I78 HydrophobicContact CB-CG2 4.07Å; N68-I78 HydrophobicContact CB-CD1 4.03Å; A71-I78 HydrophobicContact CB-CD1 4.04Å; A71-I78 HydrophobicContact CB-CG1 3.76Å; I78-I80 HydrophobicContact CG2-CD1 3.95Å; I78-N107 HydrophobicContact CD1-CB 4.07Å; I78-N107 HydrophobicContact CG1-CB 4.16Å; I78-N107 PolarHBondContact N-O 3.32Å; I78-D109 PolarHBondContact O-N 2.88Å |
| 79 | K | 98.9 | Very high | 98.1 | Very high | 19 Ų | 19 | 30.5 Ų | 30.5 | 8% | 0.083 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 117 | 174.3 | -69.6 | 178.1 | 173.1 | 52 | 0 | 109.7 | I55 F56 S57 E81 D109 Y112 Y143 | I55-K79 PolarHBondContact O-N 2.87Å; F56-K79 CarbonylContact C-O 3.6Å; F56-K79 WeakPolarHBondContact CA-O 3.47Å; F56-K79 HydrophobicContact CD1-CB 3.52Å; F56-K79 HydrophobicContact CD1-CD 4.28Å; F56-K79 HydrophobicContact CE1-CB 3.7Å; F56-K79 HydrophobicContact CE1-CD 3.58Å; F56-K79 HydrophobicContact CE1-CG 4.26Å; F56-K79 HydrophobicContact CG-CB 4.21Å; F56-K79 HydrophobicContact CZ-CD 3.77Å; S57-K79 PolarHBondContact N-O 3.37Å; K79-E81 PolarHBondContact O-N 3.32Å; K79-D109 HydrophobicContact CG-CB 4.19Å; K79-D109 IonicContact NZ-OD2 2.76Å; K79-D109 PolarHBondContact NZ-OD2 2.82Å; K79-D109 VanDerWaalsContact NZ-OD2 3.1Å; K79-Y112 HydrophobicContact CB-CD1 3.56Å; K79-Y112 HydrophobicContact CB-CD2 4.12Å; K79-Y112 HydrophobicContact CB-CE1 3.86Å; K79-Y112 HydrophobicContact CB-CE2 4.42Å; K79-Y112 HydrophobicContact CB-CG 3.67Å; K79-Y112 HydrophobicContact CD-CD2 3.77Å; K79-Y112 HydrophobicContact CD-CE2 4.22Å; K79-Y112 HydrophobicContact CD-CG 4.03Å; K79-Y112 HydrophobicContact CG-CD1 4.15Å; K79-Y112 HydrophobicContact CG-CD2 4.01Å; K79-Y112 HydrophobicContact CG-CG 3.72Å; K79-Y143 HydrophobicContact CD-CE1 4.12Å |
| 80 | I | 98.9 | Very high | 97.7 | Very high | 5 Ų | 5 | 30.8 Ų | 30.8 | 3% | 0.026 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 112.5 | -178.6 | -55.5 | -61 | 0 | 0 | 0 | 110 | S57 P59 V64 I78 I98 L101 V108 Y112 S114 | S57-I80 WeakPolarHBondContact O-CA 3.48Å; P59-I80 HydrophobicContact CB-CG2 3.65Å; P59-I80 HydrophobicContact CG-CG2 4.5Å; V64-I80 HydrophobicContact CG2-CD1 3.81Å; I78-I80 HydrophobicContact CG2-CD1 3.95Å; I80-I98 HydrophobicContact CB-CD1 3.54Å; I80-I98 HydrophobicContact CG1-CD1 3.87Å; I80-I98 HydrophobicContact CG2-CD1 3.4Å; I80-L101 HydrophobicContact CD1-CD1 4.43Å; I80-L101 HydrophobicContact CG1-CD1 4.44Å; I80-V108 HydrophobicContact CD1-CG2 4.42Å; I80-V108 HydrophobicContact CG1-CG1 4.01Å; I80-Y112 WeakPolarHBondContact O-CD1 3.11Å; I80-Y112 WeakPolarHBondContact O-CE1 3.49Å; I80-S114 PolarHBondContact O-OG 2.85Å |
| 81 | E | 98.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 21% | 0.208 | C | C | . | . | trans | -111.1 | 106.1 | 178.6 | 175 | 56 | -108.3 | 0 | 0 | 109.8 | F56 S57 K79 G83 L84 Y112 S114 F115 V116 A135 I139 | F56-E81 HydrophobicContact CD1-CB 4.47Å; S57-E81 PolarHBondContact O-N 2.85Å; K79-E81 PolarHBondContact O-N 3.32Å; E81-G83 PolarHBondContact O-N 2.88Å; E81-G83 WeakPolarHBondContact OE1-CA 3.5Å; E81-G83 PolarHBondContact OE1-N 3.44Å; E81-L84 HydrophobicContact CB-CD1 4.09Å; E81-L84 HydrophobicContact CB-CG 4.13Å; E81-L84 HydrophobicContact CG-CD1 4.36Å; E81-L84 HydrophobicContact CG-CG 3.93Å; E81-L84 WeakPolarHBondContact O-CB 3.23Å; E81-L84 PolarHBondContact O-N 3.32Å; E81-Y112 HydrophobicContact CB-CE1 4.35Å; E81-Y112 PolarHBondContact OE2-OH 3.04Å; E81-S114 WeakPolarHBondContact OE1-CB 3.4Å; E81-F115 WeakPolarHBondContact OE2-CB 3.35Å; E81-F115 PolarHBondContact OE2-N 2.92Å; E81-V116 PolarHBondContact OE1-N 3.22Å; E81-V116 VanDerWaalsContact OE1-N 3.15Å; E81-A135 HydrophobicContact CG-CB 4.02Å; E81-I139 HydrophobicContact CB-CD1 4.49Å; E81-I139 HydrophobicContact CG-CD1 4.09Å | ||
| 82 | H | 98.6 | Very high | 97.1 | Very high | 30 Ų | 30 | 39.5 Ų | 39.5 | 14% | 0.139 | 24% | 0.239 | C | C | . | . | G | 310 helix | trans | -62.5 | -24.9 | 179 | -66.8 | 79.1 | 0 | 0 | 0 | 112.3 | L84 S85 H95 S114 V116 | H82-L84 PolarHBondContact O-N 2.9Å; H82-L84 VanDerWaalsContact O-N 3.17Å; H82-S85 VanDerWaalsContact O-CB 3.23Å; H82-S85 WeakPolarHBondContact O-CB 3.05Å; H82-S85 PolarHBondContact O-N 3.49Å; H82-S85 VanDerWaalsContact O-N 3.1Å; H82-S85 PolarHBondContact O-OG 2.94Å; H82-H95 AromaticContact CD2-CE1 3.49Å; H82-H95 PolarHBondContact CD2-CE1 3.48Å; H82-H95 VanDerWaalsContact CD2-CE1 3.49Å; H82-H95 AromaticContact CD2-NE2 3.51Å; H82-H95 AromaticContact NE2-CE1 3.39Å; H82-H95 PolarHBondContact NE2-CE1 3.19Å; H82-H95 AromaticContact NE2-NE2 3.92Å; H82-S114 PolarHBondContact N-OG 3.49Å; H82-S114 PolarHBondContact ND1-OG 2.76Å; H82-V116 CarbonylContact C-O 3.52Å; H82-V116 WeakPolarHBondContact CB-O 3.49Å |
| 83 | G | 98.5 | Very high | 96.8 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 22% | 0.224 | C | C | . | . | G | 310 helix | trans | -59.5 | -21.2 | 171.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | E81 V116 R131 V132 | E81-G83 PolarHBondContact O-N 2.88Å; E81-G83 WeakPolarHBondContact OE1-CA 3.5Å; E81-G83 PolarHBondContact OE1-N 3.44Å; G83-V116 PolarHBondContact N-O 2.69Å; G83-R131 PolarHBondContact O-NH1 3.05Å; G83-V132 VanDerWaalsContact O-CG2 3.27Å; G83-V132 WeakPolarHBondContact O-CG2 3.41Å |
| 84 | L | 98.8 | Very high | 96.4 | Very high | 3 Ų | 3 | 35.8 Ų | 35.8 | 2% | 0.016 | 22% | 0.222 | C | C | . | . | G | 310 helix | trans | -87.6 | -0.6 | 177.3 | -63.2 | 178 | 0 | 0 | 0 | 114.1 | F56 E81 H82 L154 H157 S160 | F56-L84 HydrophobicContact CB-CD1 3.9Å; E81-L84 HydrophobicContact CB-CD1 4.09Å; E81-L84 HydrophobicContact CB-CG 4.13Å; E81-L84 HydrophobicContact CG-CD1 4.36Å; E81-L84 HydrophobicContact CG-CG 3.93Å; E81-L84 WeakPolarHBondContact O-CB 3.23Å; E81-L84 PolarHBondContact O-N 3.32Å; H82-L84 PolarHBondContact O-N 2.9Å; H82-L84 VanDerWaalsContact O-N 3.17Å; L84-L154 HydrophobicContact CD1-CB 4.35Å; L84-L154 HydrophobicContact CD1-CD2 4.3Å; L84-H157 PolarHBondContact O-CD2 3.44Å; L84-S160 WeakPolarHBondContact O-CB 3.31Å; L84-S160 PolarHBondContact O-OG 3.19Å |
| 85 | S | 98.4 | Very high | 96.3 | Very high | 1 Ų | 1 | 35.3 Ų | 35.3 | 1% | 0.007 | 22% | 0.217 | C | C | . | . | P | Polyproline II helix | trans | -54.7 | 154.6 | 178.3 | -72.5 | 0 | 0 | 0 | 0 | 113.6 | S58 P59 H82 R131 S160 | S58-S85 WeakPolarHBondContact OG-CA 3.26Å; P59-S85 WeakPolarHBondContact CD-OG 3.23Å; P59-S85 WeakPolarHBondContact CG-OG 3.49Å; H82-S85 VanDerWaalsContact O-CB 3.23Å; H82-S85 WeakPolarHBondContact O-CB 3.05Å; H82-S85 PolarHBondContact O-N 3.49Å; H82-S85 VanDerWaalsContact O-N 3.1Å; H82-S85 PolarHBondContact O-OG 2.94Å; S85-R131 PolarHBondContact O-NH1 2.96Å; S85-R131 PolarHBondContact O-NH2 2.92Å; S85-S160 WeakPolarHBondContact O-CB 3.49Å |
| 86 | E | 97 | Very high | 96.2 | Very high | 38 Ų | 38 | 34.1 Ų | 34.1 | 18% | 0.178 | 19% | 0.192 | C | C | . | . | P | Polyproline II helix | trans | -59.1 | 173.7 | 170.4 | 69.1 | -167.9 | 93.8 | 0 | 0 | 111.8 | F60 R62 L88 R131 H157 | F60-E86 WeakPolarHBondContact CD1-OE1 3.29Å; F60-E86 HydrophobicContact CD2-CG 4.35Å; F60-E86 HydrophobicContact CE1-CG 4.47Å; F60-E86 WeakPolarHBondContact CE1-OE1 3.35Å; F60-E86 HydrophobicContact CE2-CG 3.77Å; F60-E86 WeakPolarHBondContact CE2-OE1 3.41Å; F60-E86 WeakPolarHBondContact CG-OE1 3.36Å; F60-E86 HydrophobicContact CZ-CG 3.83Å; F60-E86 WeakPolarHBondContact CZ-OE1 3.38Å; R62-E86 IonicContact CZ-OE1 2.58Å; R62-E86 IonicContact NH1-OE1 3.81Å; R62-E86 PolarHBondContact NH1-OE1 2.73Å; R62-E86 IonicContact NH2-OE1 3.03Å; R62-E86 PolarHBondContact NH2-OE1 2.8Å; R62-E86 IonicContact NH2-OE2 3.5Å; R62-E86 PolarHBondContact NH2-OE2 2.91Å; E86-L88 HydrophobicContact CG-CD2 4.28Å; E86-L88 WeakPolarHBondContact O-CD2 3.27Å; E86-L88 PolarHBondContact O-N 2.81Å; E86-R131 PolarHBondContact O-NH2 3.38Å; E86-H157 HydrophobicContact CB-CB 4.01Å; E86-H157 PolarHBondContact N-CD2 3.3Å; E86-H157 PolarHBondContact N-NE2 3Å; E86-H157 IonicContact OE1-CE1 3.68Å |
| 87 | V | 97.2 | Very high | 96.1 | Very high | 13 Ų | 13 | 40.6 Ų | 40.6 | 8% | 0.079 | 21% | 0.214 | C | C | . | . | P | Polyproline II helix | trans | -59.8 | 119.8 | 170.1 | -173.7 | 0 | 0 | 0 | 0 | 109.4 | N89 E122 N124 D125 A159 | V87-N89 VanDerWaalsContact C-N 3.32Å; V87-N89 PolarHBondContact O-N 2.75Å; V87-E122 WeakPolarHBondContact CA-OE2 3.4Å; V87-E122 HydrophobicContact CG1-CB 3.74Å; V87-N124 WeakPolarHBondContact CG1-O 3.46Å; V87-D125 HydrophobicContact CG2-CB 4.46Å; V87-D125 WeakPolarHBondContact CG2-OD1 3.26Å; V87-A159 HydrophobicContact CG2-CB 3.52Å |
| 88 | L | 96.3 | Very high | 96.1 | Very high | 4 Ų | 4 | 39.5 Ų | 39.5 | 2% | 0.021 | 21% | 0.205 | C | C | . | . | trans | -86.6 | 67.5 | -174.3 | -60.2 | -172.9 | 0 | 0 | 0 | 112.2 | F60 E86 V90 F91 P93 P118 A121 E122 | F60-L88 HydrophobicContact CE2-CD2 4.05Å; F60-L88 HydrophobicContact CZ-CD2 4.06Å; E86-L88 HydrophobicContact CG-CD2 4.28Å; E86-L88 WeakPolarHBondContact O-CD2 3.27Å; E86-L88 PolarHBondContact O-N 2.81Å; L88-V90 PolarHBondContact O-N 3.1Å; L88-F91 HydrophobicContact CD1-CD2 4.17Å; L88-F91 HydrophobicContact CD1-CE2 4.28Å; L88-P93 HydrophobicContact CD1-CB 4.44Å; L88-P93 HydrophobicContact CD1-CG 4.35Å; L88-P93 HydrophobicContact CD2-CB 3.92Å; L88-P118 HydrophobicContact CD1-CB 3.48Å; L88-P118 VanDerWaalsContact CD1-CB 3.48Å; L88-P118 HydrophobicContact CD1-CG 3.9Å; L88-A121 WeakPolarHBondContact O-CA 3.48Å; L88-E122 PolarHBondContact N-OE2 2.69Å; L88-E122 PolarHBondContact O-N 2.9Å | ||
| 89 | N | 93.7 | Very high | 96 | Very high | 104 Ų | 104 | 42.2 Ų | 42.2 | 56% | 0.556 | 22% | 0.22 | S | C | * | . | S | Bend | trans | -65.5 | -27.6 | 173.8 | -63.4 | -63.4 | 0 | 0 | 0 | 112.7 | V87 E122 | V87-N89 VanDerWaalsContact C-N 3.32Å; V87-N89 PolarHBondContact O-N 2.75Å; N89-E122 VanDerWaalsContact CA-O 3.26Å; N89-E122 WeakPolarHBondContact CA-O 3.47Å; N89-E122 PolarHBondContact OD1-O 2.91Å |
| 90 | V | 91 | Very high | 95.9 | Very high | 77 Ų | 77 | 45.4 Ų | 45.4 | 47% | 0.467 | 24% | 0.235 | S | C | . | . | S | Bend | trans | -105.5 | 124.9 | 170.9 | 180 | 0 | 0 | 0 | 0 | 107.9 | L88 | L88-V90 PolarHBondContact O-N 3.1Š|
| 91 | F | 92.1 | Very high | 95.9 | Very high | 82 Ų | 82 | 45.1 Ų | 45.1 | 36% | 0.36 | 23% | 0.234 | S | C | . | . | S | Bend | trans | -135.8 | 135 | 180 | -163.2 | -89.5 | 0 | 0 | 0 | 111.3 | L88 D119 A120 A121 | L88-F91 HydrophobicContact CD1-CD2 4.17Å; L88-F91 HydrophobicContact CD1-CE2 4.28Å; F91-D119 WeakPolarHBondContact CZ-O 3.45Å; F91-A120 WeakPolarHBondContact CD2-O 3.34Å; F91-A121 HydrophobicContact CB-CB 3.8Å |
| 92 | P | 91.7 | Very high | 95.9 | Very high | 101 Ų | 101 | 48.7 Ų | 48.7 | 66% | 0.656 | 25% | 0.249 | S | C | * | . | S | Bend | cis | -65.1 | 153.4 | -1.4 | 29.5 | -36.1 | 0 | 0 | 0 | 112.6 | ||
| 93 | P | 91.6 | Very high | 95.8 | Very high | 34 Ų | 34 | 55.5 Ų | 55.5 | 22% | 0.221 | 28% | 0.278 | C | S | . | . | trans | -66.2 | 138.2 | -178.2 | 27.6 | -35.1 | 0 | 0 | 0 | 111.5 | F60 L88 H95 | F60-P93 HydrophobicContact CZ-CB 4.13Å; L88-P93 HydrophobicContact CD1-CB 4.44Å; L88-P93 HydrophobicContact CD1-CG 4.35Å; L88-P93 HydrophobicContact CD2-CB 3.92Å; P93-H95 VanDerWaalsContact C-N 3.25Å; P93-H95 PolarHBondContact O-N 3.26Å | ||
| 94 | G | 91.4 | Very high | 95.8 | Very high | 30 Ų | 30 | 60 Ų | 60 | 31% | 0.309 | 30% | 0.3 | S | S | . | . | trans | -80 | 12.5 | -174.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 95 | H | 95.5 | Very high | 95.8 | Very high | 30 Ų | 30 | 61 Ų | 61 | 14% | 0.139 | 30% | 0.303 | C | S | . | . | P | Polyproline II helix | trans | -74.5 | 155.6 | -179.2 | 65.4 | 66.5 | 0 | 0 | 0 | 112.3 | D29 P59 F60 H82 P93 | D29-H95 WeakPolarHBondContact OD2-CA 3.45Å; P59-H95 HydrophobicContact CB-CB 4.42Å; P59-H95 VanDerWaalsContact CG-CD2 3.45Å; P59-H95 WeakPolarHBondContact CG-CD2 3.27Å; P59-H95 WeakPolarHBondContact CG-NE2 3.37Å; F60-H95 HydrophobicContact CD1-CB 4.12Å; F60-H95 HydrophobicContact CD2-CB 4.49Å; F60-H95 HydrophobicContact CE1-CB 4.3Å; F60-H95 AromaticContact CE2-CD2 3.91Å; F60-H95 HydrophobicContact CG-CB 4.24Å; H82-H95 AromaticContact CD2-CE1 3.49Å; H82-H95 PolarHBondContact CD2-CE1 3.48Å; H82-H95 VanDerWaalsContact CD2-CE1 3.49Å; H82-H95 AromaticContact CD2-NE2 3.51Å; H82-H95 AromaticContact NE2-CE1 3.39Å; H82-H95 PolarHBondContact NE2-CE1 3.19Å; H82-H95 AromaticContact NE2-NE2 3.92Å; P93-H95 VanDerWaalsContact C-N 3.25Å; P93-H95 PolarHBondContact O-N 3.26Å |
| 96 | K | 95.7 | Very high | 95.8 | Very high | 43 Ų | 43 | 65.4 Ų | 65.4 | 19% | 0.187 | 33% | 0.332 | C | S | . | . | P | Polyproline II helix | trans | -60.1 | 154.2 | 175.8 | -66 | -178.3 | -172.4 | -177.3 | 0 | 112.7 | E100 L101 E104 | K96-E100 HydrophobicContact CB-CB 4.09Å; K96-E100 HydrophobicContact CD-CB 4.47Å; K96-L101 HydrophobicContact CB-CD2 3.95Å; K96-L101 HydrophobicContact CB-CG 3.94Å; K96-L101 HydrophobicContact CD-CD2 4.33Å; K96-E104 IonicContact NZ-OE1 2.69Å; K96-E104 PolarHBondContact NZ-OE1 2.9Å; K96-E104 IonicContact NZ-OE2 2.69Å; K96-E104 PolarHBondContact NZ-OE2 3.17Å |
| 97 | R | 96.3 | Very high | 95.9 | Very high | 174 Ų | 174 | 65.3 Ų | 65.3 | 66% | 0.657 | 33% | 0.333 | S | S | * | . | P | Polyproline II helix | trans | -72.5 | 157.8 | 170.1 | -63.5 | 173.1 | 56.7 | 148.3 | -1.6 | 110.5 | D99 E100 L101 | R97-D99 PolarHBondContact O-N 2.85Å; R97-E100 HydrophobicContact CB-CG 4.45Å; R97-E100 VanDerWaalsContact CB-OE2 3.29Å; R97-E100 WeakPolarHBondContact CB-OE2 3.33Å; R97-E100 WeakPolarHBondContact CG-OE2 3.39Å; R97-E100 PolarHBondContact N-OE2 3Å; R97-E100 WeakPolarHBondContact O-CB 3.48Å; R97-E100 PolarHBondContact O-N 2.89Å; R97-L101 PolarHBondContact O-N 3Å |
| 98 | I | 97.9 | Very high | 96 | Very high | 41 Ų | 41 | 64.7 Ų | 64.7 | 21% | 0.21 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -54.8 | -39 | 178.3 | -55.1 | -53.3 | 0 | 0 | 0 | 112.5 | I80 E100 L101 K102 V108 | I80-I98 HydrophobicContact CB-CD1 3.54Å; I80-I98 HydrophobicContact CG1-CD1 3.87Å; I80-I98 HydrophobicContact CG2-CD1 3.4Å; I98-E100 VanDerWaalsContact C-N 3.3Å; I98-E100 PolarHBondContact O-N 3.5Å; I98-L101 HydrophobicContact CD1-CD1 4.33Å; I98-L101 PolarHBondContact O-N 3.21Å; I98-K102 WeakPolarHBondContact O-CB 3.35Å; I98-K102 PolarHBondContact O-N 3.43Å; I98-V108 HydrophobicContact CG2-CG1 4.23Å |
| 99 | D | 97.6 | Very high | 96.1 | Very high | 58 Ų | 58 | 65.9 Ų | 65.9 | 31% | 0.31 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -66.2 | -31.6 | 178.2 | -68.8 | -43.7 | 0 | 0 | 0 | 113 | R97 K103 R110 | R97-D99 PolarHBondContact O-N 2.85Å; D99-K103 VanDerWaalsContact O-CG 3.3Å; D99-K103 WeakPolarHBondContact O-CG 3.35Å; D99-K103 PolarHBondContact O-N 3.44Å; D99-R110 IonicContact OD1-CZ 2.91Å; D99-R110 VanDerWaalsContact OD1-CZ 3.25Å; D99-R110 IonicContact OD1-NE 2.64Å; D99-R110 PolarHBondContact OD1-NE 2.76Å; D99-R110 IonicContact OD1-NH2 2.71Å; D99-R110 PolarHBondContact OD1-NH2 3.28Å; D99-R110 IonicContact OD2-NH2 3.25Å |
| 100 | E | 97.6 | Very high | 96.2 | Very high | 85 Ų | 85 | 68.5 Ų | 68.5 | 40% | 0.397 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -76.5 | -45.3 | 176.3 | -63.4 | 171 | 107.5 | 0 | 0 | 110.1 | K96 R97 I98 K102 K103 E104 | K96-E100 HydrophobicContact CB-CB 4.09Å; K96-E100 HydrophobicContact CD-CB 4.47Å; R97-E100 HydrophobicContact CB-CG 4.45Å; R97-E100 VanDerWaalsContact CB-OE2 3.29Å; R97-E100 WeakPolarHBondContact CB-OE2 3.33Å; R97-E100 WeakPolarHBondContact CG-OE2 3.39Å; R97-E100 PolarHBondContact N-OE2 3Å; R97-E100 WeakPolarHBondContact O-CB 3.48Å; R97-E100 PolarHBondContact O-N 2.89Å; I98-E100 VanDerWaalsContact C-N 3.3Å; I98-E100 PolarHBondContact O-N 3.5Å; E100-K102 VanDerWaalsContact C-N 3.31Å; E100-K102 PolarHBondContact O-N 2.96Å; E100-K103 WeakPolarHBondContact O-CB 3.45Å; E100-K103 PolarHBondContact O-N 2.9Å; E100-K103 VanDerWaalsContact O-N 3.16Å; E100-E104 PolarHBondContact O-N 3.2Å |
| 101 | L | 98.2 | Very high | 96.5 | Very high | 0 Ų | 0 | 69.7 Ų | 69.7 | 0% | 0 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -57.3 | -42.7 | 173.2 | -68.6 | 173.4 | 0 | 0 | 0 | 111.7 | V64 I80 K96 R97 I98 K103 E104 F105 V108 | V64-L101 HydrophobicContact CB-CD2 4.42Å; V64-L101 HydrophobicContact CG1-CD2 4.37Å; V64-L101 HydrophobicContact CG2-CD1 4.17Å; V64-L101 HydrophobicContact CG2-CD2 4.13Å; I80-L101 HydrophobicContact CD1-CD1 4.43Å; I80-L101 HydrophobicContact CG1-CD1 4.44Å; K96-L101 HydrophobicContact CB-CD2 3.95Å; K96-L101 HydrophobicContact CB-CG 3.94Å; K96-L101 HydrophobicContact CD-CD2 4.33Å; R97-L101 PolarHBondContact O-N 3Å; I98-L101 HydrophobicContact CD1-CD1 4.33Å; I98-L101 PolarHBondContact O-N 3.21Å; L101-K103 VanDerWaalsContact C-N 3.3Å; L101-K103 PolarHBondContact O-N 3.46Å; L101-E104 PolarHBondContact O-N 2.92Å; L101-F105 HydrophobicContact CD2-CD2 4.31Å; L101-F105 HydrophobicContact CD2-CE2 4.33Å; L101-F105 WeakPolarHBondContact O-CA 3.31Å; L101-F105 WeakPolarHBondContact O-CB 3.38Å; L101-F105 WeakPolarHBondContact O-CD2 3.33Å; L101-F105 PolarHBondContact O-N 3.25Å; L101-V108 HydrophobicContact CB-CG2 4.37Å |
| 102 | K | 98.4 | Very high | 96.8 | Very high | 75 Ų | 75 | 66.9 Ų | 66.9 | 33% | 0.326 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -63.3 | -33.4 | 178.7 | 178.8 | 60.5 | 175.3 | -172.9 | 0 | 113.3 | I98 E100 E104 F105 P106 V108 | I98-K102 WeakPolarHBondContact O-CB 3.35Å; I98-K102 PolarHBondContact O-N 3.43Å; E100-K102 VanDerWaalsContact C-N 3.31Å; E100-K102 PolarHBondContact O-N 2.96Å; K102-E104 VanDerWaalsContact C-N 3.35Å; K102-F105 CarbonylContact O-C 3.58Å; K102-P106 PolarHBondContact NZ-O 3.22Å; K102-V108 HydrophobicContact CB-CB 4.44Å; K102-V108 HydrophobicContact CB-CG1 4.36Å; K102-V108 HydrophobicContact CD-CB 4.11Å; K102-V108 WeakPolarHBondContact CD-O 3.31Å; K102-V108 WeakPolarHBondContact CE-O 3.43Å; K102-V108 PolarHBondContact NZ-O 3.39Å |
| 103 | K | 98 | Very high | 97.1 | Very high | 172 Ų | 172 | 67.4 Ų | 67.4 | 75% | 0.748 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -68.4 | -36.8 | 176.8 | -71.9 | 168.3 | -172.6 | 177.2 | 0 | 111.5 | D99 E100 L101 | D99-K103 VanDerWaalsContact O-CG 3.3Å; D99-K103 WeakPolarHBondContact O-CG 3.35Å; D99-K103 PolarHBondContact O-N 3.44Å; E100-K103 WeakPolarHBondContact O-CB 3.45Å; E100-K103 PolarHBondContact O-N 2.9Å; E100-K103 VanDerWaalsContact O-N 3.16Å; L101-K103 VanDerWaalsContact C-N 3.3Å; L101-K103 PolarHBondContact O-N 3.46Å |
| 104 | E | 97.7 | Very high | 97.5 | Very high | 96 Ų | 96 | 66.6 Ų | 66.6 | 45% | 0.449 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -86.3 | -32.1 | -179.4 | -69.4 | 176.6 | -141.5 | 0 | 0 | 113.2 | K96 E100 L101 K102 | K96-E104 IonicContact NZ-OE1 2.69Å; K96-E104 PolarHBondContact NZ-OE1 2.9Å; K96-E104 IonicContact NZ-OE2 2.69Å; K96-E104 PolarHBondContact NZ-OE2 3.17Å; E100-E104 PolarHBondContact O-N 3.2Å; L101-E104 PolarHBondContact O-N 2.92Å; K102-E104 VanDerWaalsContact C-N 3.35Å |
| 105 | F | 98.5 | Very high | 97.8 | Very high | 22 Ų | 22 | 67.8 Ų | 67.8 | 10% | 0.096 | 33% | 0.33 | C | S | . | . | trans | -127.1 | 90 | -176 | -54.9 | -77.3 | 0 | 0 | 0 | 109.6 | L61 V64 Q65 N68 L101 K102 N107 V108 | L61-F105 HydrophobicContact CD1-CE2 3.53Å; L61-F105 HydrophobicContact CD1-CZ 3.63Å; V64-F105 HydrophobicContact CG1-CB 4.19Å; V64-F105 HydrophobicContact CG1-CD1 4.38Å; V64-F105 HydrophobicContact CG1-CD2 3.59Å; V64-F105 HydrophobicContact CG1-CE2 4.07Å; V64-F105 HydrophobicContact CG1-CG 3.78Å; Q65-F105 HydrophobicContact CG-CE1 3.81Å; Q65-F105 HydrophobicContact CG-CZ 3.55Å; N68-F105 HydrophobicContact CB-CD1 3.98Å; L101-F105 HydrophobicContact CD2-CD2 4.31Å; L101-F105 HydrophobicContact CD2-CE2 4.33Å; L101-F105 WeakPolarHBondContact O-CA 3.31Å; L101-F105 WeakPolarHBondContact O-CB 3.38Å; L101-F105 WeakPolarHBondContact O-CD2 3.33Å; L101-F105 PolarHBondContact O-N 3.25Å; K102-F105 CarbonylContact O-C 3.58Å; F105-N107 PolarHBondContact O-N 2.93Å; F105-V108 HydrophobicContact CB-CG2 3.85Å; F105-V108 WeakPolarHBondContact O-CB 3.39Å; F105-V108 WeakPolarHBondContact O-CG2 3.37Å; F105-V108 PolarHBondContact O-N 2.96Å | ||
| 106 | P | 98.3 | Very high | 98 | Very high | 94 Ų | 94 | 66.7 Ų | 66.7 | 61% | 0.61 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58 | -20 | -177.7 | -27.9 | 36.3 | 0 | 0 | 0 | 114.8 | K102 V108 | K102-P106 PolarHBondContact NZ-O 3.22Å; P106-V108 VanDerWaalsContact C-N 3.26Å; P106-V108 PolarHBondContact O-N 3.45Å |
| 107 | N | 98.7 | Very high | 98.1 | Very high | 36 Ų | 36 | 70.1 Ų | 70.1 | 19% | 0.193 | 35% | 0.345 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.4 | -12.6 | 175.3 | -65.2 | -38.2 | 0 | 0 | 0 | 113.9 | N68 A71 D72 T77 I78 F105 D109 | N68-N107 PolarHBondContact OD1-ND2 3.01Å; A71-N107 HydrophobicContact CB-CB 3.88Å; D72-N107 PolarHBondContact OD1-ND2 3.32Å; T77-N107 CarbonylContact C-O 3.54Å; T77-N107 VanDerWaalsContact CA-O 3.22Å; T77-N107 WeakPolarHBondContact CA-O 3.48Å; T77-N107 VanDerWaalsContact CB-O 3.31Å; T77-N107 WeakPolarHBondContact CB-O 3.45Å; I78-N107 HydrophobicContact CD1-CB 4.07Å; I78-N107 HydrophobicContact CG1-CB 4.16Å; I78-N107 PolarHBondContact N-O 3.32Å; F105-N107 PolarHBondContact O-N 2.93Å; N107-D109 PolarHBondContact O-N 2.56Å |
| 108 | V | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 32% | 0.319 | C | S | . | . | B | Isolated β-bridge | trans | -61 | 128.4 | 176.3 | 170.3 | 0 | 0 | 0 | 0 | 110.3 | V64 I80 I98 L101 K102 F105 P106 R110 | V64-V108 HydrophobicContact CG1-CG2 4.21Å; I80-V108 HydrophobicContact CD1-CG2 4.42Å; I80-V108 HydrophobicContact CG1-CG1 4.01Å; I98-V108 HydrophobicContact CG2-CG1 4.23Å; L101-V108 HydrophobicContact CB-CG2 4.37Å; K102-V108 HydrophobicContact CB-CB 4.44Å; K102-V108 HydrophobicContact CB-CG1 4.36Å; K102-V108 HydrophobicContact CD-CB 4.11Å; K102-V108 WeakPolarHBondContact CD-O 3.31Å; K102-V108 WeakPolarHBondContact CE-O 3.43Å; K102-V108 PolarHBondContact NZ-O 3.39Å; F105-V108 HydrophobicContact CB-CG2 3.85Å; F105-V108 WeakPolarHBondContact O-CB 3.39Å; F105-V108 WeakPolarHBondContact O-CG2 3.37Å; F105-V108 PolarHBondContact O-N 2.96Å; P106-V108 VanDerWaalsContact C-N 3.26Å; P106-V108 PolarHBondContact O-N 3.45Å; V108-R110 PolarHBondContact O-N 3.07Å |
| 109 | D | 98.5 | Very high | 97.9 | Very high | 29 Ų | 29 | 67.6 Ų | 67.6 | 16% | 0.155 | 35% | 0.345 | C | S | . | . | trans | -86.2 | 97.9 | 177.9 | -172.7 | -7.4 | 0 | 0 | 0 | 110 | I78 K79 N107 S111 Y112 | I78-D109 PolarHBondContact O-N 2.88Å; K79-D109 HydrophobicContact CG-CB 4.19Å; K79-D109 IonicContact NZ-OD2 2.76Å; K79-D109 PolarHBondContact NZ-OD2 2.82Å; K79-D109 VanDerWaalsContact NZ-OD2 3.1Å; N107-D109 PolarHBondContact O-N 2.56Å; D109-S111 PolarHBondContact O-N 2.86Å; D109-S111 WeakPolarHBondContact OD1-CB 3.25Å; D109-S111 PolarHBondContact OD1-N 3.21Å; D109-S111 PolarHBondContact OD1-OG 2.76Å; D109-Y112 PolarHBondContact O-N 3.31Å | ||
| 110 | R | 97.1 | Very high | 97.8 | Very high | 159 Ų | 159 | 67.3 Ų | 67.3 | 60% | 0.6 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.3 | -16.7 | 179 | -167.5 | -179.9 | -176.7 | -85.9 | -4.7 | 113.1 | D99 V108 Y112 | D99-R110 IonicContact OD1-CZ 2.91Å; D99-R110 VanDerWaalsContact OD1-CZ 3.25Å; D99-R110 IonicContact OD1-NE 2.64Å; D99-R110 PolarHBondContact OD1-NE 2.76Å; D99-R110 IonicContact OD1-NH2 2.71Å; D99-R110 PolarHBondContact OD1-NH2 3.28Å; D99-R110 IonicContact OD2-NH2 3.25Å; V108-R110 PolarHBondContact O-N 3.07Å; R110-Y112 VanDerWaalsContact C-N 3.31Å |
| 111 | S | 97.8 | Very high | 97.7 | Very high | 102 Ų | 102 | 65.5 Ų | 65.5 | 71% | 0.713 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.1 | -17.5 | 179.5 | 74.9 | 0 | 0 | 0 | 0 | 112.8 | D109 | D109-S111 PolarHBondContact O-N 2.86Å; D109-S111 WeakPolarHBondContact OD1-CB 3.25Å; D109-S111 PolarHBondContact OD1-N 3.21Å; D109-S111 PolarHBondContact OD1-OG 2.76Å |
| 112 | Y | 98.3 | Very high | 97.7 | Very high | 24 Ų | 24 | 66.3 Ų | 66.3 | 9% | 0.094 | 36% | 0.355 | C | S | . | . | trans | -79.8 | 136.4 | 177 | 177.7 | -103.2 | 0 | 0 | 0 | 112 | F56 K79 I80 E81 D109 R110 F115 Y143 | F56-Y112 HydrophobicContact CD1-CE1 4.36Å; F56-Y112 HydrophobicContact CE1-CE1 4.44Å; F56-Y112 AromaticContact CE1-CE2 3.85Å; F56-Y112 HydrophobicContact CE1-CE2 3.85Å; F56-Y112 AromaticContact CE1-CZ 3.74Å; K79-Y112 HydrophobicContact CB-CD1 3.56Å; K79-Y112 HydrophobicContact CB-CD2 4.12Å; K79-Y112 HydrophobicContact CB-CE1 3.86Å; K79-Y112 HydrophobicContact CB-CE2 4.42Å; K79-Y112 HydrophobicContact CB-CG 3.67Å; K79-Y112 HydrophobicContact CD-CD2 3.77Å; K79-Y112 HydrophobicContact CD-CE2 4.22Å; K79-Y112 HydrophobicContact CD-CG 4.03Å; K79-Y112 HydrophobicContact CG-CD1 4.15Å; K79-Y112 HydrophobicContact CG-CD2 4.01Å; K79-Y112 HydrophobicContact CG-CG 3.72Å; I80-Y112 WeakPolarHBondContact O-CD1 3.11Å; I80-Y112 WeakPolarHBondContact O-CE1 3.49Å; E81-Y112 HydrophobicContact CB-CE1 4.35Å; E81-Y112 PolarHBondContact OE2-OH 3.04Å; D109-Y112 PolarHBondContact O-N 3.31Å; R110-Y112 VanDerWaalsContact C-N 3.31Å; Y112-F115 HydrophobicContact CE2-CE2 4.25Å; Y112-F115 WeakPolarHBondContact OH-CD2 3.13Å; Y112-Y143 WeakPolarHBondContact CD2-OH 3.36Å; Y112-Y143 HydrophobicContact CE2-CE2 4.32Å | ||
| 113 | T | 98.2 | Very high | 97.5 | Very high | 112 Ų | 112 | 70 Ų | 70 | 69% | 0.687 | 37% | 0.373 | S | S | * | . | trans | -114.3 | 130.7 | 172.1 | -59 | 0 | 0 | 0 | 0 | 108.9 | F115 | T113-F115 PolarHBondContact O-N 3.25Š| ||
| 114 | S | 98.7 | Very high | 97.4 | Very high | 17 Ų | 17 | 64.9 Ų | 64.9 | 12% | 0.119 | 35% | 0.354 | C | S | . | . | trans | -57.2 | 138.3 | 177.3 | -53.7 | 0 | 0 | 0 | 0 | 111.4 | I80 E81 H82 V116 | I80-S114 PolarHBondContact O-OG 2.85Å; E81-S114 WeakPolarHBondContact OE1-CB 3.4Å; H82-S114 PolarHBondContact N-OG 3.49Å; H82-S114 PolarHBondContact ND1-OG 2.76Å; S114-V116 VanDerWaalsContact C-N 3.31Å | ||
| 115 | F | 98.6 | Very high | 97.3 | Very high | 54 Ų | 54 | 63 Ų | 63 | 24% | 0.237 | 35% | 0.347 | C | S | . | . | S | Bend | trans | -75.1 | -23.7 | 175.4 | -75 | -57.4 | 0 | 0 | 0 | 113.4 | E81 Y112 T113 K138 I139 N142 Y143 | E81-F115 WeakPolarHBondContact OE2-CB 3.35Å; E81-F115 PolarHBondContact OE2-N 2.92Å; Y112-F115 HydrophobicContact CE2-CE2 4.25Å; Y112-F115 WeakPolarHBondContact OH-CD2 3.13Å; T113-F115 PolarHBondContact O-N 3.25Å; F115-K138 HydrophobicContact CB-CB 3.87Å; F115-K138 HydrophobicContact CB-CD 3.59Å; F115-K138 HydrophobicContact CB-CG 4.41Å; F115-K138 HydrophobicContact CD1-CB 4.01Å; F115-K138 HydrophobicContact CD1-CD 4.06Å; F115-K138 HydrophobicContact CD2-CB 3.78Å; F115-K138 HydrophobicContact CE1-CB 4.49Å; F115-K138 HydrophobicContact CE2-CB 4.27Å; F115-K138 HydrophobicContact CG-CB 3.63Å; F115-K138 HydrophobicContact CG-CD 3.98Å; F115-K138 HydrophobicContact CG-CG 4.46Å; F115-K138 PolarHBondContact O-NZ 3.27Å; F115-I139 HydrophobicContact CD2-CG1 3.97Å; F115-I139 HydrophobicContact CE2-CG1 4.15Å; F115-N142 HydrophobicContact CE2-CB 4.31Å; F115-N142 HydrophobicContact CZ-CB 3.71Å; F115-Y143 HydrophobicContact CE2-CD2 4.45Å; F115-Y143 AromaticContact CE2-CE2 3.9Å; F115-Y143 HydrophobicContact CE2-CE2 3.9Å; F115-Y143 HydrophobicContact CZ-CE2 4.14Å |
| 116 | V | 98.5 | Very high | 97.2 | Very high | 8 Ų | 8 | 68 Ų | 68 | 5% | 0.048 | 37% | 0.368 | C | S | . | . | trans | -136.5 | 127 | -179.5 | 179.2 | 0 | 0 | 0 | 0 | 109 | E81 H82 G83 S114 R131 M134 A135 | E81-V116 PolarHBondContact OE1-N 3.22Å; E81-V116 VanDerWaalsContact OE1-N 3.15Å; H82-V116 CarbonylContact C-O 3.52Å; H82-V116 WeakPolarHBondContact CB-O 3.49Å; G83-V116 PolarHBondContact N-O 2.69Å; S114-V116 VanDerWaalsContact C-N 3.31Å; V116-R131 HydrophobicContact CG1-CB 3.94Å; V116-M134 HydrophobicContact CB-CE 4.26Å; V116-M134 HydrophobicContact CG1-CE 3.72Å; V116-M134 HydrophobicContact CG2-CB 4.1Å; V116-M134 HydrophobicContact CG2-CE 3.57Å; V116-M134 HydrophobicContact CG2-CG 3.71Å; V116-M134 HydrophobicContact CG2-SD 4.25Å; V116-A135 HydrophobicContact CB-CB 4.1Å; V116-A135 HydrophobicContact CG2-CB 3.81Å | ||
| 117 | I | 97.8 | Very high | 97.2 | Very high | 115 Ų | 115 | 66.9 Ų | 66.9 | 59% | 0.59 | 36% | 0.357 | S | S | * | . | trans | -117.3 | 114.8 | 171.6 | -59.2 | 176.9 | 0 | 0 | 0 | 106.2 | ||||
| 118 | P | 96.6 | Very high | 97.1 | Very high | 18 Ų | 18 | 65.1 Ų | 65.1 | 12% | 0.117 | 35% | 0.348 | C | S | . | . | trans | -59.8 | 137.3 | 173.5 | -18.8 | 30.3 | 0 | 0 | 0 | 110.7 | L88 | L88-P118 HydrophobicContact CD1-CB 3.48Å; L88-P118 VanDerWaalsContact CD1-CB 3.48Å; L88-P118 HydrophobicContact CD1-CG 3.9Å | ||
| 119 | D | 94.8 | Very high | 97.1 | Very high | 143 Ų | 143 | 66.2 Ų | 66.2 | 77% | 0.765 | 35% | 0.353 | S | S | * | . | trans | -122.1 | 0.5 | -171.8 | 61.1 | -7.1 | 0 | 0 | 0 | 114.1 | F91 | F91-D119 WeakPolarHBondContact CZ-O 3.45Š| ||
| 120 | A | 95 | Very high | 97 | Very high | 52 Ų | 52 | 67.7 Ų | 67.7 | 43% | 0.43 | 37% | 0.374 | S | S | . | . | S | Bend | trans | -144.1 | 162.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | F91 | F91-A120 WeakPolarHBondContact CD2-O 3.34Š|
| 121 | A | 95.7 | Very high | 97.1 | Very high | 47 Ų | 47 | 61.2 Ų | 61.2 | 39% | 0.388 | 35% | 0.35 | S | S | . | . | trans | -69.4 | 149 | 169.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | L88 F91 | L88-A121 WeakPolarHBondContact O-CA 3.48Å; F91-A121 HydrophobicContact CB-CB 3.8Å | ||
| 122 | E | 97 | Very high | 97.1 | Very high | 17 Ų | 17 | 56.3 Ų | 56.3 | 8% | 0.079 | 32% | 0.316 | C | S | . | . | trans | -121.2 | 151.8 | 179 | -65.4 | 170.6 | 156.7 | 0 | 0 | 108.7 | V87 L88 N89 D127 C128 R131 | V87-E122 WeakPolarHBondContact CA-OE2 3.4Å; V87-E122 HydrophobicContact CG1-CB 3.74Å; L88-E122 PolarHBondContact N-OE2 2.69Å; L88-E122 PolarHBondContact O-N 2.9Å; N89-E122 VanDerWaalsContact CA-O 3.26Å; N89-E122 WeakPolarHBondContact CA-O 3.47Å; N89-E122 PolarHBondContact OD1-O 2.91Å; E122-D127 HydrophobicContact CB-CB 3.82Å; E122-D127 HydrophobicContact CG-CB 3.94Å; E122-C128 VanDerWaalsContact OE1-CA 3.31Å; E122-C128 WeakPolarHBondContact OE1-CA 3.11Å; E122-C128 WeakPolarHBondContact OE1-CB 3.44Å; E122-C128 WeakPolarHBondContact OE2-CB 3.49Å; E122-R131 IonicContact OE1-CZ 2.76Å; E122-R131 IonicContact OE1-NE 3.82Å; E122-R131 PolarHBondContact OE1-NE 2.92Å; E122-R131 IonicContact OE1-NH2 3.59Å; E122-R131 PolarHBondContact OE1-NH2 3.46Å; E122-R131 IonicContact OE2-CZ 3.39Å; E122-R131 IonicContact OE2-NE 3.51Å; E122-R131 IonicContact OE2-NH2 2.65Å; E122-R131 PolarHBondContact OE2-NH2 2.99Å | ||
| 123 | H | 95.7 | Very high | 97.1 | Very high | 154 Ų | 154 | 55.3 Ų | 55.3 | 71% | 0.713 | 31% | 0.313 | S | S | * | . | trans | -117.3 | -19.4 | -172.4 | -55.6 | 85 | 0 | 0 | 0 | 112.9 | D127 | H123-D127 PolarHBondContact N-OD2 2.89Å; H123-D127 IonicContact ND1-OD2 2.98Å | ||
| 124 | N | 95.8 | Very high | 97.1 | Very high | 64 Ų | 64 | 54.2 Ų | 54.2 | 34% | 0.342 | 30% | 0.301 | S | S | . | . | S | Bend | trans | -151.5 | 167.8 | -179.6 | 69.9 | 83.9 | 0 | 0 | 0 | 111.2 | V87 F126 D127 | V87-N124 WeakPolarHBondContact CG1-O 3.46Å; N124-F126 VanDerWaalsContact C-N 3.26Å; N124-F126 PolarHBondContact O-N 2.81Å; N124-F126 WeakPolarHBondContact OD1-CA 3.5Å; N124-F126 VanDerWaalsContact OD1-CB 3.27Å; N124-F126 WeakPolarHBondContact OD1-CB 3.47Å; N124-F126 WeakPolarHBondContact OD1-CD2 3.34Å; N124-F126 PolarHBondContact OD1-N 3.1Å; N124-D127 PolarHBondContact N-OD2 2.94Å; N124-D127 PolarHBondContact ND2-OD1 3.33Å; N124-D127 PolarHBondContact ND2-OD2 3.07Å; N124-D127 WeakPolarHBondContact O-CB 3.46Å; N124-D127 PolarHBondContact O-N 3.15Å; N124-D127 VanDerWaalsContact O-N 3.14Å; N124-D127 PolarHBondContact OD1-N 3.49Å |
| 125 | D | 95.4 | Very high | 97.1 | Very high | 56 Ų | 56 | 53.4 Ų | 53.4 | 30% | 0.299 | 30% | 0.295 | S | S | . | . | G | 310 helix | trans | -55.4 | -36.2 | -178.2 | -70.4 | -2.6 | 0 | 0 | 0 | 114.2 | V87 D127 C128 F129 A159 Y174 | V87-D125 HydrophobicContact CG2-CB 4.46Å; V87-D125 WeakPolarHBondContact CG2-OD1 3.26Å; D125-D127 VanDerWaalsContact C-N 3.28Å; D125-D127 PolarHBondContact O-N 3.43Å; D125-C128 PolarHBondContact O-N 3.17Å; D125-C128 PolarHBondContact O-SG 3.03Å; D125-F129 HydrophobicContact CB-CE1 4.43Å; D125-F129 WeakPolarHBondContact O-CD1 3.47Å; D125-F129 VanDerWaalsContact O-CE1 3.23Å; D125-F129 WeakPolarHBondContact O-CE1 3.31Å; D125-A159 HydrophobicContact CB-CB 3.89Å; D125-A159 WeakPolarHBondContact OD1-CB 3.48Å; D125-Y174 WeakPolarHBondContact CB-OH 3.33Å; D125-Y174 WeakPolarHBondContact OD2-CE1 3.41Å; D125-Y174 VanDerWaalsContact OD2-CZ 3.26Å; D125-Y174 PolarHBondContact OD2-OH 3.31Å |
| 126 | F | 96.3 | Very high | 97.1 | Very high | 127 Ų | 127 | 50.8 Ų | 50.8 | 56% | 0.557 | 28% | 0.284 | S | S | * | . | G | 310 helix | trans | -72 | -24.1 | -176.8 | -57.7 | -75.1 | 0 | 0 | 0 | 112.8 | N124 C128 F129 | N124-F126 VanDerWaalsContact C-N 3.26Å; N124-F126 PolarHBondContact O-N 2.81Å; N124-F126 WeakPolarHBondContact OD1-CA 3.5Å; N124-F126 VanDerWaalsContact OD1-CB 3.27Å; N124-F126 WeakPolarHBondContact OD1-CB 3.47Å; N124-F126 WeakPolarHBondContact OD1-CD2 3.34Å; N124-F126 PolarHBondContact OD1-N 3.1Å; F126-C128 PolarHBondContact O-N 2.77Å; F126-F129 AromaticContact CD1-CD2 4Å; F126-F129 HydrophobicContact CD1-CD2 4Å; F126-F129 AromaticContact CD1-CE2 3.74Å; F126-F129 HydrophobicContact CD1-CE2 3.74Å; F126-F129 HydrophobicContact CD1-CZ 4.2Å; F126-F129 HydrophobicContact CE1-CE2 4.03Å; F126-F129 HydrophobicContact CE1-CZ 4.42Å; F126-F129 WeakPolarHBondContact O-CB 3.44Å; F126-F129 PolarHBondContact O-N 2.87Å; F126-F129 VanDerWaalsContact O-N 3.14Å |
| 127 | D | 97.1 | Very high | 97.1 | Very high | 70 Ų | 70 | 52.9 Ų | 52.9 | 37% | 0.374 | 30% | 0.298 | S | S | . | . | G | 310 helix | trans | -61.9 | -33.3 | 178.9 | -64.4 | -13.2 | 0 | 0 | 0 | 110.9 | E122 H123 N124 D125 | E122-D127 HydrophobicContact CB-CB 3.82Å; E122-D127 HydrophobicContact CG-CB 3.94Å; H123-D127 PolarHBondContact N-OD2 2.89Å; H123-D127 IonicContact ND1-OD2 2.98Å; N124-D127 PolarHBondContact N-OD2 2.94Å; N124-D127 PolarHBondContact ND2-OD1 3.33Å; N124-D127 PolarHBondContact ND2-OD2 3.07Å; N124-D127 WeakPolarHBondContact O-CB 3.46Å; N124-D127 PolarHBondContact O-N 3.15Å; N124-D127 VanDerWaalsContact O-N 3.14Å; N124-D127 PolarHBondContact OD1-N 3.49Å; D125-D127 VanDerWaalsContact C-N 3.28Å; D125-D127 PolarHBondContact O-N 3.43Å |
| 128 | C | 97.4 | Very high | 97.1 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 29% | 0.285 | C | S | . | . | G | 310 helix | trans | -81.9 | -16 | 178.8 | 80.5 | 0 | 0 | 0 | 0 | 114.2 | E122 D125 F126 G130 R131 V132 | E122-C128 VanDerWaalsContact OE1-CA 3.31Å; E122-C128 WeakPolarHBondContact OE1-CA 3.11Å; E122-C128 WeakPolarHBondContact OE1-CB 3.44Å; E122-C128 WeakPolarHBondContact OE2-CB 3.49Å; D125-C128 PolarHBondContact O-N 3.17Å; D125-C128 PolarHBondContact O-SG 3.03Å; F126-C128 PolarHBondContact O-N 2.77Å; C128-G130 VanDerWaalsContact C-N 3.32Å; C128-G130 PolarHBondContact O-N 3.43Å; C128-R131 HydrophobicContact CB-CG 4.48Å; C128-R131 VanDerWaalsContact CB-NH2 3.25Å; C128-R131 WeakPolarHBondContact O-CG 3.43Å; C128-R131 PolarHBondContact O-N 2.87Å; C128-V132 WeakPolarHBondContact O-CB 3.49Å; C128-V132 VanDerWaalsContact O-CG2 3.23Å; C128-V132 WeakPolarHBondContact O-CG2 3.47Å; C128-V132 PolarHBondContact O-N 3.27Å |
| 129 | F | 98.1 | Very high | 97.2 | Very high | 23 Ų | 23 | 50 Ų | 50 | 10% | 0.101 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -63 | -38.3 | -170.8 | -79.7 | 20 | 0 | 0 | 0 | 112.4 | D125 F126 V132 G133 A159 A162 K166 T172 | D125-F129 HydrophobicContact CB-CE1 4.43Å; D125-F129 WeakPolarHBondContact O-CD1 3.47Å; D125-F129 VanDerWaalsContact O-CE1 3.23Å; D125-F129 WeakPolarHBondContact O-CE1 3.31Å; F126-F129 AromaticContact CD1-CD2 4Å; F126-F129 HydrophobicContact CD1-CD2 4Å; F126-F129 AromaticContact CD1-CE2 3.74Å; F126-F129 HydrophobicContact CD1-CE2 3.74Å; F126-F129 HydrophobicContact CD1-CZ 4.2Å; F126-F129 HydrophobicContact CE1-CE2 4.03Å; F126-F129 HydrophobicContact CE1-CZ 4.42Å; F126-F129 WeakPolarHBondContact O-CB 3.44Å; F126-F129 PolarHBondContact O-N 2.87Å; F126-F129 VanDerWaalsContact O-N 3.14Å; F129-V132 PolarHBondContact O-N 3Å; F129-G133 PolarHBondContact O-N 3.23Å; F129-A159 VanDerWaalsContact CE1-O 3.26Å; F129-A159 WeakPolarHBondContact CE1-O 3.5Å; F129-A162 HydrophobicContact CE1-CB 4.11Å; F129-A162 HydrophobicContact CZ-CB 3.77Å; F129-K166 HydrophobicContact CD2-CB 4.01Å; F129-K166 HydrophobicContact CD2-CG 3.86Å; F129-K166 HydrophobicContact CE2-CB 3.96Å; F129-K166 HydrophobicContact CE2-CG 4.06Å; F129-T172 HydrophobicContact CE2-CG2 4.08Å; F129-T172 HydrophobicContact CZ-CG2 4.1Å |
| 130 | G | 97.6 | Very high | 97.2 | Very high | 59 Ų | 59 | 43.8 Ų | 43.8 | 61% | 0.608 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -62 | -49.2 | 179 | 0 | 0 | 0 | 0 | 0 | 112.2 | C128 G133 M134 | C128-G130 VanDerWaalsContact C-N 3.32Å; C128-G130 PolarHBondContact O-N 3.43Å; G130-G133 PolarHBondContact O-N 3.46Å; G130-M134 PolarHBondContact O-N 3.42Å |
| 131 | R | 97.9 | Very high | 97.2 | Very high | 23 Ų | 23 | 48.2 Ų | 48.2 | 9% | 0.087 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -69.3 | -35.1 | 179.6 | 64.3 | 151.9 | 173.1 | 93.5 | -2.9 | 112.8 | G83 S85 E86 V116 E122 C128 M134 A135 | G83-R131 PolarHBondContact O-NH1 3.05Å; S85-R131 PolarHBondContact O-NH1 2.96Å; S85-R131 PolarHBondContact O-NH2 2.92Å; E86-R131 PolarHBondContact O-NH2 3.38Å; V116-R131 HydrophobicContact CG1-CB 3.94Å; E122-R131 IonicContact OE1-CZ 2.76Å; E122-R131 IonicContact OE1-NE 3.82Å; E122-R131 PolarHBondContact OE1-NE 2.92Å; E122-R131 IonicContact OE1-NH2 3.59Å; E122-R131 PolarHBondContact OE1-NH2 3.46Å; E122-R131 IonicContact OE2-CZ 3.39Å; E122-R131 IonicContact OE2-NE 3.51Å; E122-R131 IonicContact OE2-NH2 2.65Å; E122-R131 PolarHBondContact OE2-NH2 2.99Å; C128-R131 HydrophobicContact CB-CG 4.48Å; C128-R131 VanDerWaalsContact CB-NH2 3.25Å; C128-R131 WeakPolarHBondContact O-CG 3.43Å; C128-R131 PolarHBondContact O-N 2.87Å; R131-M134 PolarHBondContact O-N 3.18Å; R131-A135 PolarHBondContact O-N 2.88Å |
| 132 | V | 98.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -64.1 | -47.8 | 174.1 | 168.7 | 0 | 0 | 0 | 0 | 109.8 | G83 C128 F129 M134 A135 V136 S160 V164 | G83-V132 VanDerWaalsContact O-CG2 3.27Å; G83-V132 WeakPolarHBondContact O-CG2 3.41Å; C128-V132 WeakPolarHBondContact O-CB 3.49Å; C128-V132 VanDerWaalsContact O-CG2 3.23Å; C128-V132 WeakPolarHBondContact O-CG2 3.47Å; C128-V132 PolarHBondContact O-N 3.27Å; F129-V132 PolarHBondContact O-N 3Å; V132-M134 VanDerWaalsContact C-N 3.31Å; V132-M134 PolarHBondContact O-N 2.8Å; V132-A135 PolarHBondContact O-N 3.24Å; V132-V136 HydrophobicContact CG1-CG2 4.32Å; V132-V136 VanDerWaalsContact O-CG2 3.29Å; V132-V136 WeakPolarHBondContact O-CG2 3.33Å; V132-V136 PolarHBondContact O-N 3.49Å; V132-S160 WeakPolarHBondContact CG1-O 3.48Å; V132-V164 HydrophobicContact CG1-CG2 3.75Å |
| 133 | G | 98.5 | Very high | 97.1 | Very high | 2 Ų | 2 | 51.6 Ų | 51.6 | 2% | 0.021 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -58.8 | -42.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | F129 G130 A135 V136 S137 H167 | F129-G133 PolarHBondContact O-N 3.23Å; G130-G133 PolarHBondContact O-N 3.46Å; G133-A135 PolarHBondContact O-N 3.1Å; G133-V136 PolarHBondContact O-N 3.49Å; G133-S137 WeakPolarHBondContact O-CB 3.48Å; G133-S137 PolarHBondContact O-N 2.93Å; G133-S137 PolarHBondContact O-OG 3.49Å; G133-H167 PolarHBondContact O-CD2 3.09Å; G133-H167 PolarHBondContact O-NE2 2.87Å; G133-H167 VanDerWaalsContact O-NE2 3.14Å |
| 134 | M | 98.6 | Very high | 96.8 | Very high | 89 Ų | 89 | 45.1 Ų | 45.1 | 44% | 0.438 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -60.8 | -44.5 | 174.4 | -179.7 | 169.1 | 58.5 | 0 | 0 | 112.5 | V116 G130 R131 V132 S137 K138 | V116-M134 HydrophobicContact CB-CE 4.26Å; V116-M134 HydrophobicContact CG1-CE 3.72Å; V116-M134 HydrophobicContact CG2-CB 4.1Å; V116-M134 HydrophobicContact CG2-CE 3.57Å; V116-M134 HydrophobicContact CG2-CG 3.71Å; V116-M134 HydrophobicContact CG2-SD 4.25Å; G130-M134 PolarHBondContact O-N 3.42Å; R131-M134 PolarHBondContact O-N 3.18Å; V132-M134 VanDerWaalsContact C-N 3.31Å; V132-M134 PolarHBondContact O-N 2.8Å; M134-S137 PolarHBondContact O-N 3.46Å; M134-K138 HydrophobicContact CG-CD 4.41Å; M134-K138 WeakPolarHBondContact O-CG 3.47Å; M134-K138 PolarHBondContact O-N 3.5Å; M134-K138 VanDerWaalsContact O-N 3.11Å |
| 135 | A | 98.8 | Very high | 96 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -62.3 | -46.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | E81 V116 R131 V132 G133 K138 I139 | E81-A135 HydrophobicContact CG-CB 4.02Å; V116-A135 HydrophobicContact CB-CB 4.1Å; V116-A135 HydrophobicContact CG2-CB 3.81Å; R131-A135 PolarHBondContact O-N 2.88Å; V132-A135 PolarHBondContact O-N 3.24Å; G133-A135 PolarHBondContact O-N 3.1Å; A135-K138 PolarHBondContact O-N 3.43Å; A135-I139 VanDerWaalsContact O-CG1 3.31Å; A135-I139 WeakPolarHBondContact O-CG1 3.21Å; A135-I139 PolarHBondContact O-N 2.92Å |
| 136 | V | 98.5 | Very high | 94.9 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -63.6 | -43.3 | 178.9 | 176.9 | 0 | 0 | 0 | 0 | 111.5 | V132 G133 K138 I139 V140 L154 V164 L168 | V132-V136 HydrophobicContact CG1-CG2 4.32Å; V132-V136 VanDerWaalsContact O-CG2 3.29Å; V132-V136 WeakPolarHBondContact O-CG2 3.33Å; V132-V136 PolarHBondContact O-N 3.49Å; G133-V136 PolarHBondContact O-N 3.49Å; V136-K138 VanDerWaalsContact C-N 3.35Å; V136-K138 PolarHBondContact O-N 3.48Å; V136-I139 PolarHBondContact O-N 2.88Å; V136-V140 HydrophobicContact CG1-CG2 4.29Å; V136-V140 WeakPolarHBondContact O-CB 3.42Å; V136-V140 WeakPolarHBondContact O-CG2 3.5Å; V136-V140 PolarHBondContact O-N 3.38Å; V136-L154 HydrophobicContact CG2-CD1 4.07Å; V136-V164 HydrophobicContact CG1-CG1 4.49Å; V136-V164 HydrophobicContact CG2-CB 4.36Å; V136-V164 HydrophobicContact CG2-CG1 4.15Å; V136-V164 HydrophobicContact CG2-CG2 3.76Å; V136-L168 HydrophobicContact CG1-CD1 4.03Å; V136-L168 HydrophobicContact CG1-CD2 3.8Å; V136-L168 HydrophobicContact CG1-CG 4.09Å |
| 137 | S | 97.4 | Very high | 93.5 | Very high | 51 Ų | 51 | 48.4 Ų | 48.4 | 36% | 0.357 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -56 | -49.7 | 175.3 | -77.3 | 0 | 0 | 0 | 0 | 111.6 | G133 M134 V140 E141 H167 | G133-S137 WeakPolarHBondContact O-CB 3.48Å; G133-S137 PolarHBondContact O-N 2.93Å; G133-S137 PolarHBondContact O-OG 3.49Å; M134-S137 PolarHBondContact O-N 3.46Å; S137-V140 PolarHBondContact O-N 3.38Å; S137-E141 WeakPolarHBondContact O-CB 3.5Å; S137-E141 PolarHBondContact O-N 3.17Å; S137-H167 PolarHBondContact OG-CE1 3.33Å; S137-H167 PolarHBondContact OG-NE2 2.73Å |
| 138 | K | 98.3 | Very high | 92.6 | Very high | 73 Ų | 73 | 50.3 Ų | 50.3 | 32% | 0.317 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -66.2 | -38.7 | -179.4 | -71.3 | 178.8 | 176.3 | -175.8 | 0 | 112 | F115 M134 A135 V136 E141 N142 | F115-K138 HydrophobicContact CB-CB 3.87Å; F115-K138 HydrophobicContact CB-CD 3.59Å; F115-K138 HydrophobicContact CB-CG 4.41Å; F115-K138 HydrophobicContact CD1-CB 4.01Å; F115-K138 HydrophobicContact CD1-CD 4.06Å; F115-K138 HydrophobicContact CD2-CB 3.78Å; F115-K138 HydrophobicContact CE1-CB 4.49Å; F115-K138 HydrophobicContact CE2-CB 4.27Å; F115-K138 HydrophobicContact CG-CB 3.63Å; F115-K138 HydrophobicContact CG-CD 3.98Å; F115-K138 HydrophobicContact CG-CG 4.46Å; F115-K138 PolarHBondContact O-NZ 3.27Å; M134-K138 HydrophobicContact CG-CD 4.41Å; M134-K138 WeakPolarHBondContact O-CG 3.47Å; M134-K138 PolarHBondContact O-N 3.5Å; M134-K138 VanDerWaalsContact O-N 3.11Å; A135-K138 PolarHBondContact O-N 3.43Å; V136-K138 VanDerWaalsContact C-N 3.35Å; V136-K138 PolarHBondContact O-N 3.48Å; K138-E141 PolarHBondContact O-N 3.32Å; K138-N142 WeakPolarHBondContact O-CB 3.48Å; K138-N142 PolarHBondContact O-N 2.89Å; K138-N142 PolarHBondContact O-ND2 3.41Å |
| 139 | I | 98.1 | Very high | 92.2 | Very high | 1 Ų | 1 | 53.1 Ų | 53.1 | 1% | 0.005 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -59.8 | -51.7 | 173 | -72.8 | 167.8 | 0 | 0 | 0 | 110.4 | F56 E81 F115 A135 V136 E141 N142 Y143 I152 L154 | F56-I139 HydrophobicContact CB-CD1 4.3Å; F56-I139 HydrophobicContact CD1-CD1 3.74Å; F56-I139 HydrophobicContact CD1-CG1 4.07Å; F56-I139 HydrophobicContact CD2-CD1 4.34Å; F56-I139 HydrophobicContact CD2-CG2 4.04Å; F56-I139 HydrophobicContact CE1-CD1 4.12Å; F56-I139 HydrophobicContact CE1-CG1 3.92Å; F56-I139 HydrophobicContact CE1-CG2 4.35Å; F56-I139 HydrophobicContact CE2-CG2 3.61Å; F56-I139 HydrophobicContact CG-CD1 3.87Å; F56-I139 HydrophobicContact CG-CG1 4.48Å; F56-I139 HydrophobicContact CZ-CG1 4.2Å; F56-I139 HydrophobicContact CZ-CG2 3.79Å; E81-I139 HydrophobicContact CB-CD1 4.49Å; E81-I139 HydrophobicContact CG-CD1 4.09Å; F115-I139 HydrophobicContact CD2-CG1 3.97Å; F115-I139 HydrophobicContact CE2-CG1 4.15Å; A135-I139 VanDerWaalsContact O-CG1 3.31Å; A135-I139 WeakPolarHBondContact O-CG1 3.21Å; A135-I139 PolarHBondContact O-N 2.92Å; V136-I139 PolarHBondContact O-N 2.88Å; I139-E141 VanDerWaalsContact C-N 3.35Å; I139-E141 PolarHBondContact O-N 3.13Å; I139-N142 PolarHBondContact O-N 3.38Å; I139-Y143 HydrophobicContact CG2-CD2 4.44Å; I139-Y143 WeakPolarHBondContact O-CB 3.31Å; I139-Y143 WeakPolarHBondContact O-CD2 3.48Å; I139-Y143 PolarHBondContact O-N 2.83Å; I139-I152 HydrophobicContact CG2-CD1 3.87Å; I139-I152 HydrophobicContact CG2-CG2 4.27Å; I139-L154 HydrophobicContact CD1-CD2 4.18Å |
| 140 | V | 95.8 | Very high | 92 | Very high | 12 Ų | 12 | 52.2 Ų | 52.2 | 7% | 0.073 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -59.5 | -47.9 | -179.9 | 169.3 | 0 | 0 | 0 | 0 | 110.4 | I4 V136 S137 N142 T144 R185 W192 | I4-V140 HydrophobicContact CD1-CG2 4.15Å; V136-V140 HydrophobicContact CG1-CG2 4.29Å; V136-V140 WeakPolarHBondContact O-CB 3.42Å; V136-V140 WeakPolarHBondContact O-CG2 3.5Å; V136-V140 PolarHBondContact O-N 3.38Å; S137-V140 PolarHBondContact O-N 3.38Å; V140-N142 VanDerWaalsContact C-N 3.33Å; V140-N142 PolarHBondContact O-N 3.36Å; V140-T144 HydrophobicContact CB-CG2 4.5Å; V140-T144 HydrophobicContact CG1-CG2 4.23Å; V140-T144 WeakPolarHBondContact O-CB 3.37Å; V140-T144 WeakPolarHBondContact O-CG2 3.43Å; V140-T144 PolarHBondContact O-N 2.86Å; V140-T144 PolarHBondContact O-OG1 2.92Å; V140-R185 VanDerWaalsContact CG1-NH2 3.27Å; V140-W192 HydrophobicContact CG1-CZ2 4.25Å; V140-W192 HydrophobicContact CG2-CZ2 4.15Å |
| 141 | E | 94 | Very high | 92 | Very high | 145 Ų | 145 | 49.6 Ų | 49.6 | 68% | 0.678 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -58.5 | -41.1 | 179.3 | -176.7 | 175.8 | -173.5 | 0 | 0 | 113.2 | S137 K138 I139 | S137-E141 WeakPolarHBondContact O-CB 3.5Å; S137-E141 PolarHBondContact O-N 3.17Å; K138-E141 PolarHBondContact O-N 3.32Å; I139-E141 VanDerWaalsContact C-N 3.35Å; I139-E141 PolarHBondContact O-N 3.13Å |
| 142 | N | 95.8 | Very high | 92 | Very high | 88 Ų | 88 | 48.5 Ų | 48.5 | 47% | 0.471 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -90.3 | -17.5 | -173.5 | -74.8 | -95.3 | 0 | 0 | 0 | 114.3 | F115 K138 I139 V140 | F115-N142 HydrophobicContact CE2-CB 4.31Å; F115-N142 HydrophobicContact CZ-CB 3.71Å; K138-N142 WeakPolarHBondContact O-CB 3.48Å; K138-N142 PolarHBondContact O-N 2.89Å; K138-N142 PolarHBondContact O-ND2 3.41Å; I139-N142 PolarHBondContact O-N 3.38Å; V140-N142 VanDerWaalsContact C-N 3.33Å; V140-N142 PolarHBondContact O-N 3.36Å |
| 143 | Y | 95.2 | Very high | 92 | Very high | 46 Ų | 46 | 48.5 Ų | 48.5 | 18% | 0.18 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -121 | -0.6 | -173.2 | -69.5 | -89.6 | 0 | 0 | 0 | 114.1 | Y54 F56 K79 Y112 F115 I139 V150 | Y54-Y143 AromaticContact CD1-CD1 3.86Å; Y54-Y143 HydrophobicContact CD1-CD1 3.86Å; Y54-Y143 HydrophobicContact CD1-CE1 4.2Å; Y54-Y143 AromaticContact CD2-CD1 3.9Å; Y54-Y143 HydrophobicContact CD2-CD1 3.9Å; Y54-Y143 HydrophobicContact CD2-CG 4.36Å; Y54-Y143 AromaticContact CE1-CD1 3.82Å; Y54-Y143 HydrophobicContact CE1-CD1 3.82Å; Y54-Y143 HydrophobicContact CE1-CE1 4.2Å; Y54-Y143 AromaticContact CE2-CD1 3.85Å; Y54-Y143 HydrophobicContact CE2-CD1 3.85Å; Y54-Y143 HydrophobicContact CE2-CG 4.45Å; Y54-Y143 AromaticContact CG-CD1 3.9Å; Y54-Y143 HydrophobicContact CG-CD1 3.9Å; Y54-Y143 AromaticContact CZ-CD1 3.82Å; F56-Y143 HydrophobicContact CE1-CD2 4.39Å; F56-Y143 HydrophobicContact CE1-CE2 4Å; F56-Y143 HydrophobicContact CZ-CD1 4.14Å; F56-Y143 AromaticContact CZ-CD2 3.65Å; F56-Y143 HydrophobicContact CZ-CD2 3.65Å; F56-Y143 HydrophobicContact CZ-CE1 4.15Å; F56-Y143 AromaticContact CZ-CE2 3.64Å; F56-Y143 HydrophobicContact CZ-CE2 3.64Å; F56-Y143 AromaticContact CZ-CG 3.91Å; F56-Y143 HydrophobicContact CZ-CG 3.91Å; F56-Y143 AromaticContact CZ-CZ 3.9Å; K79-Y143 HydrophobicContact CD-CE1 4.12Å; Y112-Y143 WeakPolarHBondContact CD2-OH 3.36Å; Y112-Y143 HydrophobicContact CE2-CE2 4.32Å; F115-Y143 HydrophobicContact CE2-CD2 4.45Å; F115-Y143 AromaticContact CE2-CE2 3.9Å; F115-Y143 HydrophobicContact CE2-CE2 3.9Å; F115-Y143 HydrophobicContact CZ-CE2 4.14Å; I139-Y143 HydrophobicContact CG2-CD2 4.44Å; I139-Y143 WeakPolarHBondContact O-CB 3.31Å; I139-Y143 WeakPolarHBondContact O-CD2 3.48Å; I139-Y143 PolarHBondContact O-N 2.83Å; Y143-V150 WeakPolarHBondContact O-CG1 3.47Å |
| 144 | T | 89.6 | Confident | 92 | Very high | 19 Ų | 19 | 48.6 Ų | 48.6 | 12% | 0.117 | 27% | 0.272 | C | S | . | . | trans | -122.1 | 25.3 | -178.5 | 83.4 | 0 | 0 | 0 | 0 | 113.6 | T2 V140 D146 V150 I152 | T2-T144 HydrophobicContact CG2-CG2 3.49Å; T2-T144 VanDerWaalsContact CG2-CG2 3.49Å; V140-T144 HydrophobicContact CB-CG2 4.5Å; V140-T144 HydrophobicContact CG1-CG2 4.23Å; V140-T144 WeakPolarHBondContact O-CB 3.37Å; V140-T144 WeakPolarHBondContact O-CG2 3.43Å; V140-T144 PolarHBondContact O-N 2.86Å; V140-T144 PolarHBondContact O-OG1 2.92Å; T144-D146 VanDerWaalsContact C-N 3.29Å; T144-V150 HydrophobicContact CG2-CB 4.44Å; T144-V150 HydrophobicContact CG2-CG1 4.16Å; T144-I152 HydrophobicContact CG2-CD1 3.66Å | ||
| 145 | S | 78.3 | Confident | 92 | Very high | 104 Ų | 104 | 44.3 Ų | 44.3 | 73% | 0.727 | 25% | 0.251 | S | S | * | . | trans | -79.3 | -9.3 | 176.9 | 53.4 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 146 | D | 73.3 | Confident | 92 | Very high | 84 Ų | 84 | 44.4 Ų | 44.4 | 45% | 0.449 | 25% | 0.252 | S | S | . | . | S | Bend | trans | -63.4 | 132.7 | 176 | -162.1 | -42.1 | 0 | 0 | 0 | 110.6 | T144 D148 V150 | T144-D146 VanDerWaalsContact C-N 3.29Å; D146-D148 PolarHBondContact O-N 3.44Å; D146-D148 WeakPolarHBondContact OD1-CB 3.44Å; D146-D148 PolarHBondContact OD1-N 3.22Å; D146-V150 HydrophobicContact CB-CG2 3.75Å |
| 147 | P | 66.7 | Low | 92 | Very high | 127 Ų | 127 | 44.7 Ų | 44.7 | 83% | 0.825 | 25% | 0.253 | S | S | * | . | S | Bend | trans | -59.7 | -23.4 | 172.3 | 24 | -34.9 | 0 | 0 | 0 | 113.8 | ||
| 148 | D | 79 | Confident | 92 | Very high | 111 Ų | 111 | 42.9 Ų | 42.9 | 59% | 0.594 | 24% | 0.242 | S | C | * | . | S | Bend | trans | -77.4 | 175.8 | 176.3 | -75.3 | -26.1 | 0 | 0 | 0 | 113.1 | D146 V150 | D146-D148 PolarHBondContact O-N 3.44Å; D146-D148 WeakPolarHBondContact OD1-CB 3.44Å; D146-D148 PolarHBondContact OD1-N 3.22Å; D148-V150 PolarHBondContact O-N 3.31Å |
| 149 | S | 87.3 | Confident | 92 | Very high | 58 Ų | 58 | 39.9 Ų | 39.9 | 41% | 0.406 | 23% | 0.231 | S | C | . | . | trans | -76 | 116.3 | 176 | -63.1 | 0 | 0 | 0 | 0 | 112 | M1 H53 | M1-S149 CarbonylContact O-C 3.51Å; M1-S149 WeakPolarHBondContact O-CA 3.41Å; M1-S149 WeakPolarHBondContact O-CB 3.38Å; H53-S149 PolarHBondContact CE1-O 3.14Å | ||
| 150 | V | 94.9 | Very high | 92 | Very high | 5 Ų | 5 | 39.9 Ų | 39.9 | 3% | 0.03 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 139.7 | 177.3 | -179.8 | 0 | 0 | 0 | 0 | 110.9 | M1 T2 I3 H53 Y54 Y143 T144 D146 D148 I152 | M1-V150 PolarHBondContact O-N 3.28Å; M1-V150 VanDerWaalsContact O-N 3.13Å; T2-V150 CarbonylContact C-O 3.49Å; T2-V150 WeakPolarHBondContact CA-O 3.2Å; I3-V150 PolarHBondContact N-O 2.96Å; H53-V150 HydrophobicContact CB-CG1 4.48Å; Y54-V150 HydrophobicContact CD2-CG1 4.3Å; Y54-V150 HydrophobicContact CE2-CG1 4.22Å; Y143-V150 WeakPolarHBondContact O-CG1 3.47Å; T144-V150 HydrophobicContact CG2-CB 4.44Å; T144-V150 HydrophobicContact CG2-CG1 4.16Å; D146-V150 HydrophobicContact CB-CG2 3.75Å; D148-V150 PolarHBondContact O-N 3.31Å; V150-I152 HydrophobicContact CG1-CD1 4.45Å; V150-I152 HydrophobicContact CG1-CG1 4.08Å |
| 151 | S | 96.8 | Very high | 92.1 | Very high | 4 Ų | 4 | 39.4 Ų | 39.4 | 3% | 0.028 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 123.9 | 178.2 | -178.4 | 0 | 0 | 0 | 0 | 110.2 | I3 W5 K51 H53 | I3-S151 WeakPolarHBondContact O-CA 3.34Å; W5-S151 VanDerWaalsContact CD1-OG 3.3Å; W5-S151 PolarHBondContact NE1-OG 3.48Å; K51-S151 WeakPolarHBondContact O-CB 3.38Å; K51-S151 PolarHBondContact O-OG 3.4Å; H53-S151 WeakPolarHBondContact CB-O 3.47Å; H53-S151 PolarHBondContact N-O 3.05Å; H53-S151 PolarHBondContact ND1-N 3.34Å |
| 152 | I | 98.4 | Very high | 92.3 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 135.2 | -176.7 | -58.7 | 176.5 | 0 | 0 | 0 | 108.9 | I3 I4 W5 Y54 F56 I139 T144 V150 L154 | I3-I152 PolarHBondContact O-N 3.07Å; I4-I152 HydrophobicContact CD1-CB 3.81Å; I4-I152 HydrophobicContact CD1-CD1 4.19Å; I4-I152 HydrophobicContact CD1-CG1 4.36Å; I4-I152 HydrophobicContact CD1-CG2 4.44Å; W5-I152 PolarHBondContact N-O 2.96Å; Y54-I152 HydrophobicContact CD2-CG1 4.14Å; Y54-I152 WeakPolarHBondContact O-CA 3.29Å; F56-I152 HydrophobicContact CD2-CG2 3.47Å; F56-I152 VanDerWaalsContact CD2-CG2 3.47Å; F56-I152 HydrophobicContact CE2-CG2 3.61Å; I139-I152 HydrophobicContact CG2-CD1 3.87Å; I139-I152 HydrophobicContact CG2-CG2 4.27Å; T144-I152 HydrophobicContact CG2-CD1 3.66Å; V150-I152 HydrophobicContact CG1-CD1 4.45Å; V150-I152 HydrophobicContact CG1-CG1 4.08Å; I152-L154 HydrophobicContact CG2-CD2 3.77Å; I152-L154 HydrophobicContact CG2-CG 4.44Å |
| 153 | L | 98.9 | Very high | 92.4 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 128.3 | 168.8 | 177.3 | 65.3 | 0 | 0 | 0 | 110.4 | W5 L7 L47 I52 Y54 I55 F56 V70 V155 | W5-L153 HydrophobicContact CB-CD1 3.69Å; W5-L153 CarbonylContact O-C 3.54Å; W5-L153 WeakPolarHBondContact O-CA 3.07Å; L7-L153 HydrophobicContact CB-CD1 3.86Å; L47-L153 HydrophobicContact CD1-CD1 4.06Å; L47-L153 HydrophobicContact CD1-CD2 3.87Å; I52-L153 HydrophobicContact CD1-CB 4.34Å; I52-L153 HydrophobicContact CD1-CD2 4.39Å; I52-L153 HydrophobicContact CG2-CB 4.11Å; Y54-L153 PolarHBondContact O-N 3.34Å; I55-L153 HydrophobicContact CG1-CB 4.36Å; I55-L153 HydrophobicContact CG1-CD2 4.27Å; I55-L153 HydrophobicContact CG2-CD2 4.17Å; F56-L153 PolarHBondContact N-O 2.99Å; V70-L153 HydrophobicContact CB-CD2 4.13Å; V70-L153 HydrophobicContact CG1-CD2 3.76Å; V70-L153 HydrophobicContact CG2-CD2 4.11Å; L153-V155 HydrophobicContact CD2-CG2 4Å; L153-V155 HydrophobicContact CG-CG2 3.97Å |
| 154 | L | 98.9 | Very high | 92.6 | Very high | 3 Ų | 3 | 26.3 Ų | 26.3 | 2% | 0.016 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 117 | 171.6 | -52.1 | -178.9 | 0 | 0 | 0 | 109 | I4 W5 C6 L7 F56 L84 V136 I139 I152 V164 | I4-L154 HydrophobicContact CG2-CD1 3.68Å; I4-L154 HydrophobicContact CG2-CG 4.06Å; W5-L154 PolarHBondContact O-N 3.49Å; C6-L154 WeakPolarHBondContact CA-O 3.29Å; L7-L154 PolarHBondContact N-O 3.17Å; F56-L154 HydrophobicContact CB-CD2 3.86Å; F56-L154 HydrophobicContact CD2-CD2 4.01Å; F56-L154 HydrophobicContact CG-CD2 4.22Å; L84-L154 HydrophobicContact CD1-CB 4.35Å; L84-L154 HydrophobicContact CD1-CD2 4.3Å; V136-L154 HydrophobicContact CG2-CD1 4.07Å; I139-L154 HydrophobicContact CD1-CD2 4.18Å; I152-L154 HydrophobicContact CG2-CD2 3.77Å; I152-L154 HydrophobicContact CG2-CG 4.44Å; L154-V164 HydrophobicContact CD1-CG1 4.06Å; L154-V164 HydrophobicContact CD1-CG2 4.16Å |
| 155 | V | 98.9 | Very high | 93 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 120.8 | 176.2 | -171.6 | 0 | 0 | 0 | 0 | 109.7 | L7 F56 S57 S58 C63 T66 A67 L153 | L7-V155 HydrophobicContact CB-CG2 4.42Å; L7-V155 VanDerWaalsContact O-CA 3.31Å; L7-V155 WeakPolarHBondContact O-CA 3.5Å; F56-V155 PolarHBondContact O-N 3.48Å; S57-V155 WeakPolarHBondContact CA-O 3.1Å; S58-V155 PolarHBondContact N-O 2.81Å; C63-V155 HydrophobicContact CB-CG1 4.12Å; T66-V155 HydrophobicContact CG2-CG1 4.25Å; A67-V155 HydrophobicContact CB-CB 4.24Å; A67-V155 HydrophobicContact CB-CG1 4.44Å; A67-V155 HydrophobicContact CB-CG2 3.85Å; L153-V155 HydrophobicContact CD2-CG2 4Å; L153-V155 HydrophobicContact CG-CG2 3.97Å |
| 156 | G | 98.7 | Very high | 94 | Very high | 2 Ų | 2 | 24.8 Ų | 24.8 | 2% | 0.021 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.6 | -152.4 | -171.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | L7 R8 H9 | L7-G156 PolarHBondContact O-N 2.94Å; R8-G156 WeakPolarHBondContact CA-O 3.42Å; H9-G156 PolarHBondContact CD2-O 2.95Å; H9-G156 PolarHBondContact N-O 2.9Å |
| 157 | H | 98.1 | Very high | 95.2 | Very high | 6 Ų | 6 | 24.7 Ų | 24.7 | 3% | 0.028 | 14% | 0.142 | C | C | . | . | trans | -119.9 | 174.2 | -171.3 | -53.9 | -94.6 | 0 | 0 | 0 | 110.3 | H9 S58 F60 R62 C63 L84 E86 S160 I161 | H9-H157 AromaticContact CD2-CE1 4Å; H9-H157 AromaticContact CD2-CG 3.98Å; H9-H157 AromaticContact CD2-ND1 3.27Å; H9-H157 PolarHBondContact CD2-ND1 3.04Å; H9-H157 VanDerWaalsContact CD2-ND1 3.27Å; H9-H157 AromaticContact NE2-ND1 3.55Å; S58-H157 WeakPolarHBondContact CB-NE2 3.45Å; S58-H157 PolarHBondContact OG-NE2 3.15Å; F60-H157 AromaticContact CD2-NE2 3.84Å; R62-H157 VanDerWaalsContact CZ-CE1 3.4Å; R62-H157 PolarHBondContact NH2-CE1 3.21Å; R62-H157 PolarHBondContact NH2-ND1 3.4Å; C63-H157 PolarHBondContact SG-CE1 3.01Å; C63-H157 PolarHBondContact SG-NE2 2.98Å; C63-H157 VanDerWaalsContact SG-NE2 3.42Å; L84-H157 PolarHBondContact O-CD2 3.44Å; E86-H157 HydrophobicContact CB-CB 4.01Å; E86-H157 PolarHBondContact N-CD2 3.3Å; E86-H157 PolarHBondContact N-NE2 3Å; E86-H157 IonicContact OE1-CE1 3.68Å; H157-S160 PolarHBondContact N-OG 3.49Å; H157-S160 PolarHBondContact O-N 3.23Å; H157-I161 WeakPolarHBondContact O-CB 3.34Å; H157-I161 VanDerWaalsContact O-CG1 3.31Å; H157-I161 WeakPolarHBondContact O-CG1 3.5Å; H157-I161 PolarHBondContact O-N 2.73Å | ||
| 158 | G | 97.3 | Very high | 96.7 | Very high | 12 Ų | 12 | 19.7 Ų | 19.7 | 12% | 0.124 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -55.7 | -56.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | A162 | G158-A162 WeakPolarHBondContact O-CB 3.26Å; G158-A162 PolarHBondContact O-N 2.82Å |
| 159 | A | 97.4 | Very high | 97.6 | Very high | 10 Ų | 10 | 15.9 Ų | 15.9 | 8% | 0.083 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -65.2 | -44.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | V87 D125 F129 I161 A162 G163 | V87-A159 HydrophobicContact CG2-CB 3.52Å; D125-A159 HydrophobicContact CB-CB 3.89Å; D125-A159 WeakPolarHBondContact OD1-CB 3.48Å; F129-A159 VanDerWaalsContact CE1-O 3.26Å; F129-A159 WeakPolarHBondContact CE1-O 3.5Å; A159-I161 PolarHBondContact O-N 3.01Å; A159-A162 WeakPolarHBondContact O-CB 3.36Å; A159-A162 PolarHBondContact O-N 2.65Å; A159-G163 PolarHBondContact O-N 3.46Å |
| 160 | S | 98.4 | Very high | 98.1 | Very high | 1 Ų | 1 | 15.2 Ų | 15.2 | 1% | 0.007 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -67.2 | -37.3 | -178.7 | 65.1 | 0 | 0 | 0 | 0 | 112.2 | L84 S85 V132 H157 G163 V164 | L84-S160 WeakPolarHBondContact O-CB 3.31Å; L84-S160 PolarHBondContact O-OG 3.19Å; S85-S160 WeakPolarHBondContact O-CB 3.49Å; V132-S160 WeakPolarHBondContact CG1-O 3.48Å; H157-S160 PolarHBondContact N-OG 3.49Å; H157-S160 PolarHBondContact O-N 3.23Å; S160-G163 WeakPolarHBondContact O-CA 3.43Å; S160-G163 PolarHBondContact O-N 2.78Å; S160-V164 WeakPolarHBondContact O-CG2 3.47Å; S160-V164 PolarHBondContact O-N 3.37Å |
| 161 | I | 98.5 | Very high | 98.1 | Very high | 3 Ų | 3 | 18.7 Ų | 18.7 | 2% | 0.015 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -67.4 | -39 | 172.6 | -67.4 | 171 | 0 | 0 | 0 | 111.4 | C6 L7 R8 H157 A159 G163 V164 I165 V175 | C6-I161 HydrophobicContact CB-CD1 4.19Å; C6-I161 HydrophobicContact CB-CG1 4.11Å; C6-I161 HydrophobicContact CB-CG2 3.75Å; L7-I161 VanDerWaalsContact C-CD1 3.5Å; R8-I161 VanDerWaalsContact CA-CD1 3.41Å; R8-I161 HydrophobicContact CB-CD1 3.72Å; R8-I161 HydrophobicContact CG-CD1 4.46Å; R8-I161 VanDerWaalsContact N-CD1 3.27Å; H157-I161 WeakPolarHBondContact O-CB 3.34Å; H157-I161 VanDerWaalsContact O-CG1 3.31Å; H157-I161 WeakPolarHBondContact O-CG1 3.5Å; H157-I161 PolarHBondContact O-N 2.73Å; A159-I161 PolarHBondContact O-N 3.01Å; I161-G163 PolarHBondContact O-N 2.58Å; I161-V164 WeakPolarHBondContact O-CB 3.36Å; I161-V164 PolarHBondContact O-N 2.9Å; I161-V164 VanDerWaalsContact O-N 3.12Å; I161-I165 HydrophobicContact CG2-CD1 3.9Å; I161-I165 HydrophobicContact CG2-CG1 4.34Å; I161-I165 WeakPolarHBondContact O-CG1 3.2Å; I161-I165 PolarHBondContact O-N 3.36Å; I161-V175 HydrophobicContact CB-CG2 4.05Å; I161-V175 HydrophobicContact CD1-CG2 3.96Å; I161-V175 HydrophobicContact CG2-CG1 4.08Å; I161-V175 HydrophobicContact CG2-CG2 3.71Å |
| 162 | A | 98.3 | Very high | 98.1 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -58.2 | -38.8 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | F129 G158 A159 I165 K166 T172 R173 Y174 | F129-A162 HydrophobicContact CE1-CB 4.11Å; F129-A162 HydrophobicContact CZ-CB 3.77Å; G158-A162 WeakPolarHBondContact O-CB 3.26Å; G158-A162 PolarHBondContact O-N 2.82Å; A159-A162 WeakPolarHBondContact O-CB 3.36Å; A159-A162 PolarHBondContact O-N 2.65Å; A162-I165 PolarHBondContact O-N 2.62Å; A162-K166 VanDerWaalsContact O-CB 3.24Å; A162-K166 WeakPolarHBondContact O-CB 3.34Å; A162-K166 PolarHBondContact O-N 3.29Å; A162-T172 HydrophobicContact CB-CG2 4.36Å; A162-R173 WeakPolarHBondContact CA-O 3.18Å; A162-R173 WeakPolarHBondContact CB-O 3.13Å; A162-Y174 HydrophobicContact CB-CD1 4.01Å; A162-Y174 HydrophobicContact CB-CE1 3.95Å; A162-Y174 HydrophobicContact CB-CG 4.43Å |
| 163 | G | 98.4 | Very high | 98 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -63.2 | -41.7 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | A159 S160 I161 K166 H167 | A159-G163 PolarHBondContact O-N 3.46Å; S160-G163 WeakPolarHBondContact O-CA 3.43Å; S160-G163 PolarHBondContact O-N 2.78Å; I161-G163 PolarHBondContact O-N 2.58Å; G163-K166 PolarHBondContact O-N 3.28Å; G163-H167 VanDerWaalsContact O-CB 3.27Å; G163-H167 WeakPolarHBondContact O-CB 3.41Å; G163-H167 PolarHBondContact O-N 3.03Å |
| 164 | V | 98.8 | Very high | 97.9 | Very high | 3 Ų | 3 | 30.3 Ų | 30.3 | 2% | 0.018 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -58.8 | -51.7 | 173.5 | 177.8 | 0 | 0 | 0 | 0 | 110.2 | V132 V136 L154 S160 I161 K166 H167 L168 | V132-V164 HydrophobicContact CG1-CG2 3.75Å; V136-V164 HydrophobicContact CG1-CG1 4.49Å; V136-V164 HydrophobicContact CG2-CB 4.36Å; V136-V164 HydrophobicContact CG2-CG1 4.15Å; V136-V164 HydrophobicContact CG2-CG2 3.76Å; L154-V164 HydrophobicContact CD1-CG1 4.06Å; L154-V164 HydrophobicContact CD1-CG2 4.16Å; S160-V164 WeakPolarHBondContact O-CG2 3.47Å; S160-V164 PolarHBondContact O-N 3.37Å; I161-V164 WeakPolarHBondContact O-CB 3.36Å; I161-V164 PolarHBondContact O-N 2.9Å; I161-V164 VanDerWaalsContact O-N 3.12Å; V164-K166 VanDerWaalsContact C-N 3.33Å; V164-K166 PolarHBondContact O-N 3.42Å; V164-H167 PolarHBondContact O-N 3.21Å; V164-L168 HydrophobicContact CG1-CD1 3.89Å; V164-L168 HydrophobicContact CG1-CG 4.42Å; V164-L168 WeakPolarHBondContact O-CG 3.23Å; V164-L168 PolarHBondContact O-N 3.15Å |
| 165 | I | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -64 | -42.1 | -177.4 | -59.6 | 167.3 | 0 | 0 | 0 | 110 | I161 A162 L168 T169 Q171 R173 V175 T181 L183 I194 | I161-I165 HydrophobicContact CG2-CD1 3.9Å; I161-I165 HydrophobicContact CG2-CG1 4.34Å; I161-I165 WeakPolarHBondContact O-CG1 3.2Å; I161-I165 PolarHBondContact O-N 3.36Å; A162-I165 PolarHBondContact O-N 2.62Å; I165-L168 PolarHBondContact O-N 3.24Å; I165-T169 WeakPolarHBondContact O-CB 3.45Å; I165-T169 PolarHBondContact O-N 3.18Å; I165-T169 PolarHBondContact O-OG1 3.4Å; I165-Q171 CarbonylContact C-O 3.57Å; I165-Q171 VanDerWaalsContact C-O 3.27Å; I165-Q171 WeakPolarHBondContact CG2-O 3.41Å; I165-R173 HydrophobicContact CD1-CB 3.91Å; I165-R173 HydrophobicContact CG2-CB 4.29Å; I165-R173 HydrophobicContact CG2-CG 4.17Å; I165-V175 HydrophobicContact CD1-CG1 4.19Å; I165-T181 HydrophobicContact CD1-CG2 3.92Å; I165-T181 HydrophobicContact CG1-CG2 4.27Å; I165-L183 HydrophobicContact CG1-CD2 4.48Å; I165-I194 HydrophobicContact CG2-CD1 3.71Å |
| 166 | K | 98.4 | Very high | 97.8 | Very high | 91 Ų | 91 | 30.2 Ų | 30.2 | 40% | 0.396 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -60.9 | -46.6 | 177.2 | 178 | 57.3 | 175.6 | -172.5 | 0 | 111.7 | F129 A162 G163 V164 G170 Q171 | F129-K166 HydrophobicContact CD2-CB 4.01Å; F129-K166 HydrophobicContact CD2-CG 3.86Å; F129-K166 HydrophobicContact CE2-CB 3.96Å; F129-K166 HydrophobicContact CE2-CG 4.06Å; A162-K166 VanDerWaalsContact O-CB 3.24Å; A162-K166 WeakPolarHBondContact O-CB 3.34Å; A162-K166 PolarHBondContact O-N 3.29Å; G163-K166 PolarHBondContact O-N 3.28Å; V164-K166 VanDerWaalsContact C-N 3.33Å; V164-K166 PolarHBondContact O-N 3.42Å; K166-G170 VanDerWaalsContact CD-O 3.31Å; K166-G170 WeakPolarHBondContact CD-O 3.45Å; K166-G170 PolarHBondContact NZ-O 2.79Å; K166-G170 WeakPolarHBondContact O-CA 3.45Å; K166-G170 PolarHBondContact O-N 2.91Å; K166-Q171 WeakPolarHBondContact CA-O 3.45Å; K166-Q171 PolarHBondContact N-O 2.82Å; K166-Q171 VanDerWaalsContact N-O 3.07Å |
| 167 | H | 98.4 | Very high | 97.8 | Very high | 83 Ų | 83 | 30.1 Ų | 30.1 | 38% | 0.384 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -64.4 | -46.6 | -179.9 | -179.3 | 66.7 | 0 | 0 | 0 | 112.3 | G133 S137 G163 V164 | G133-H167 PolarHBondContact O-CD2 3.09Å; G133-H167 PolarHBondContact O-NE2 2.87Å; G133-H167 VanDerWaalsContact O-NE2 3.14Å; S137-H167 PolarHBondContact OG-CE1 3.33Å; S137-H167 PolarHBondContact OG-NE2 2.73Å; G163-H167 VanDerWaalsContact O-CB 3.27Å; G163-H167 WeakPolarHBondContact O-CB 3.41Å; G163-H167 PolarHBondContact O-N 3.03Å; V164-H167 PolarHBondContact O-N 3.21Å |
| 168 | L | 97.9 | Very high | 97.9 | Very high | 22 Ų | 22 | 29.8 Ų | 29.8 | 12% | 0.115 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -77.9 | -34.1 | -174.5 | -64.4 | -176.9 | 0 | 0 | 0 | 113.2 | I4 V136 V164 I165 L183 W192 | I4-L168 HydrophobicContact CB-CD1 4.48Å; I4-L168 HydrophobicContact CG1-CD1 4.19Å; I4-L168 HydrophobicContact CG2-CD1 4.49Å; V136-L168 HydrophobicContact CG1-CD1 4.03Å; V136-L168 HydrophobicContact CG1-CD2 3.8Å; V136-L168 HydrophobicContact CG1-CG 4.09Å; V164-L168 HydrophobicContact CG1-CD1 3.89Å; V164-L168 HydrophobicContact CG1-CG 4.42Å; V164-L168 WeakPolarHBondContact O-CG 3.23Å; V164-L168 PolarHBondContact O-N 3.15Å; I165-L168 PolarHBondContact O-N 3.24Å; L168-L183 HydrophobicContact CB-CD2 4.23Å; L168-L183 HydrophobicContact CD1-CD2 4.29Å; L168-W192 HydrophobicContact CB-CB 4.18Å; L168-W192 HydrophobicContact CB-CD2 4.35Å; L168-W192 HydrophobicContact CB-CG 3.92Å; L168-W192 HydrophobicContact CD1-CD2 4.26Å; L168-W192 HydrophobicContact CD1-CE3 4.44Å; L168-W192 HydrophobicContact CD2-CD2 4.4Å; L168-W192 HydrophobicContact CD2-CG 4.44Å; L168-W192 HydrophobicContact CD2-CZ2 4.43Å; L168-W192 WeakPolarHBondContact O-CB 3.44Å |
| 169 | T | 97.9 | Very high | 97.9 | Very high | 30 Ų | 30 | 29.3 Ų | 29.3 | 18% | 0.184 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -122.2 | -8.9 | -168.7 | 72.8 | 0 | 0 | 0 | 0 | 114.8 | I165 Q171 L183 W192 I194 | I165-T169 WeakPolarHBondContact O-CB 3.45Å; I165-T169 PolarHBondContact O-N 3.18Å; I165-T169 PolarHBondContact O-OG1 3.4Å; T169-Q171 PolarHBondContact O-N 3.17Å; T169-Q171 PolarHBondContact OG1-N 2.81Å; T169-L183 HydrophobicContact CG2-CD2 3.49Å; T169-L183 VanDerWaalsContact CG2-CD2 3.49Å; T169-W192 HydrophobicContact CG2-CB 4.09Å; T169-I194 HydrophobicContact CG2-CD1 4.41Å; T169-I194 HydrophobicContact CG2-CG1 3.91Å |
| 170 | G | 97.6 | Very high | 98 | Very high | 44 Ų | 44 | 28.8 Ų | 28.8 | 45% | 0.454 | 14% | 0.144 | S | C | . | . | S | Bend | trans | 77.7 | -9.2 | -172.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | K166 | K166-G170 VanDerWaalsContact CD-O 3.31Å; K166-G170 WeakPolarHBondContact CD-O 3.45Å; K166-G170 PolarHBondContact NZ-O 2.79Å; K166-G170 WeakPolarHBondContact O-CA 3.45Å; K166-G170 PolarHBondContact O-N 2.91Å |
| 171 | Q | 96.8 | Very high | 98 | Very high | 79 Ų | 79 | 28.8 Ų | 28.8 | 37% | 0.369 | 14% | 0.143 | S | C | . | . | trans | -94 | 137.1 | -179.3 | -58.2 | -178.1 | 50.2 | 0 | 0 | 111.9 | I165 K166 T169 | I165-Q171 CarbonylContact C-O 3.57Å; I165-Q171 VanDerWaalsContact C-O 3.27Å; I165-Q171 WeakPolarHBondContact CG2-O 3.41Å; K166-Q171 WeakPolarHBondContact CA-O 3.45Å; K166-Q171 PolarHBondContact N-O 2.82Å; K166-Q171 VanDerWaalsContact N-O 3.07Å; T169-Q171 PolarHBondContact O-N 3.17Å; T169-Q171 PolarHBondContact OG1-N 2.81Å | ||
| 172 | T | 95.6 | Very high | 98 | Very high | 51 Ų | 51 | 29.7 Ų | 29.7 | 31% | 0.313 | 15% | 0.147 | S | C | . | . | trans | -94.3 | 119.4 | 169.4 | -53.3 | 0 | 0 | 0 | 0 | 109.3 | F129 A162 Y174 | F129-T172 HydrophobicContact CE2-CG2 4.08Å; F129-T172 HydrophobicContact CZ-CG2 4.1Å; A162-T172 HydrophobicContact CB-CG2 4.36Å; T172-Y174 HydrophobicContact CG2-CE2 4.09Å | ||
| 173 | R | 96.9 | Very high | 98 | Very high | 121 Ų | 121 | 29.7 Ų | 29.7 | 46% | 0.457 | 15% | 0.147 | S | C | . | . | trans | -134 | 128.9 | 176.5 | -59.3 | -66.7 | -179.2 | -153.1 | -0.5 | 109.6 | A162 I165 V197 | A162-R173 WeakPolarHBondContact CA-O 3.18Å; A162-R173 WeakPolarHBondContact CB-O 3.13Å; I165-R173 HydrophobicContact CD1-CB 3.91Å; I165-R173 HydrophobicContact CG2-CB 4.29Å; I165-R173 HydrophobicContact CG2-CG 4.17Å; R173-V197 HydrophobicContact CB-CG2 4.18Å; R173-V197 HydrophobicContact CG-CG2 4.43Å | ||
| 174 | Y | 97 | Very high | 98 | Very high | 75 Ų | 75 | 30 Ų | 30 | 29% | 0.294 | 15% | 0.149 | S | C | . | . | trans | -92.6 | 148.4 | 170.5 | -69.6 | -86.5 | 0 | 0 | 0 | 110.3 | D125 A162 T172 A211 | D125-Y174 WeakPolarHBondContact CB-OH 3.33Å; D125-Y174 WeakPolarHBondContact OD2-CE1 3.41Å; D125-Y174 VanDerWaalsContact OD2-CZ 3.26Å; D125-Y174 PolarHBondContact OD2-OH 3.31Å; A162-Y174 HydrophobicContact CB-CD1 4.01Å; A162-Y174 HydrophobicContact CB-CE1 3.95Å; A162-Y174 HydrophobicContact CB-CG 4.43Å; T172-Y174 HydrophobicContact CG2-CE2 4.09Å; Y174-A211 WeakPolarHBondContact CB-O 3.37Å | ||
| 175 | V | 98.1 | Very high | 97.8 | Very high | 1 Ų | 1 | 31.4 Ų | 31.4 | 1% | 0.006 | 15% | 0.154 | C | C | . | . | trans | -129.6 | 147.7 | -170.5 | -56.7 | 0 | 0 | 0 | 0 | 111.3 | R8 I161 I165 T181 V197 | R8-V175 HydrophobicContact CB-CG2 4.04Å; R8-V175 VanDerWaalsContact CD-O 3.27Å; R8-V175 WeakPolarHBondContact CD-O 3.39Å; R8-V175 PolarHBondContact NH1-O 2.95Å; I161-V175 HydrophobicContact CB-CG2 4.05Å; I161-V175 HydrophobicContact CD1-CG2 3.96Å; I161-V175 HydrophobicContact CG2-CG1 4.08Å; I161-V175 HydrophobicContact CG2-CG2 3.71Å; I165-V175 HydrophobicContact CD1-CG1 4.19Å; V175-T181 WeakPolarHBondContact CG1-OG1 3.46Å; V175-V197 HydrophobicContact CG1-CG2 4.39Å | ||
| 176 | G | 98.2 | Very high | 97.4 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 18% | 0.175 | C | C | . | . | trans | -70.1 | 160 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114 | R8 C178 T179 S198 L209 | R8-G176 WeakPolarHBondContact CB-O 3.42Å; R8-G176 WeakPolarHBondContact CD-O 3.28Å; G176-C178 PolarHBondContact O-N 2.96Å; G176-T179 PolarHBondContact N-OG1 3.21Å; G176-T179 WeakPolarHBondContact O-CB 3.43Å; G176-T179 PolarHBondContact O-N 3.29Å; G176-T179 PolarHBondContact O-OG1 3.39Å; G176-S198 PolarHBondContact N-OG 3.47Å; G176-L209 CarbonylContact C-O 3.55Å; G176-L209 VanDerWaalsContact CA-O 3.29Å; G176-L209 WeakPolarHBondContact CA-O 3.43Å | ||
| 177 | L | 98.5 | Very high | 96.9 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 17% | 0.174 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.8 | 133.6 | 171.8 | -67.2 | 169.1 | 0 | 0 | 0 | 110.5 | H9 E11 Y15 T179 L209 R210 | H9-L177 WeakPolarHBondContact O-CD2 2.98Å; E11-L177 HydrophobicContact CB-CD1 4.39Å; Y15-L177 HydrophobicContact CD2-CD1 4.2Å; Y15-L177 HydrophobicContact CE2-CD1 4.13Å; Y15-L177 HydrophobicContact CE2-CD2 4.27Å; L177-T179 PolarHBondContact O-N 2.95Å; L177-L209 WeakPolarHBondContact CG-O 3.33Å; L177-L209 PolarHBondContact N-O 3.27Å; L177-R210 HydrophobicContact CD1-CB 4.13Å; L177-R210 HydrophobicContact CD1-CG 4.19Å; L177-R210 HydrophobicContact CG-CB 4.4Å |
| 178 | C | 98.5 | Very high | 96.4 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 19% | 0.19 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 51.1 | 26.1 | -179 | -142.8 | 0 | 0 | 0 | 0 | 115.7 | R8 H9 A10 Q39 G176 H202 L203 | R8-C178 VanDerWaalsContact O-CA 3.25Å; R8-C178 WeakPolarHBondContact O-CA 3.43Å; R8-C178 PolarHBondContact O-N 3.06Å; R8-C178 VanDerWaalsContact O-N 3.17Å; H9-C178 PolarHBondContact O-N 2.99Å; A10-C178 HydrophobicContact CB-CB 3.89Å; Q39-C178 HydrophobicContact CB-CB 3.68Å; Q39-C178 HydrophobicContact CG-CB 4.4Å; Q39-C178 PolarHBondContact O-SG 2.96Å; G176-C178 PolarHBondContact O-N 2.96Å; C178-H202 PolarHBondContact O-CE1 3.4Å; C178-H202 VanDerWaalsContact O-CE1 3.31Å; C178-H202 PolarHBondContact O-NE2 2.72Å; C178-L203 HydrophobicContact CB-CD1 4.33Å; C178-L203 HydrophobicContact CB-CD2 4.29Å |
| 179 | T | 98.6 | Very high | 95.9 | Very high | 1 Ų | 1 | 38.4 Ų | 38.4 | 1% | 0.006 | 22% | 0.22 | C | C | . | . | trans | -94.1 | 154.7 | 174.5 | 65.6 | 0 | 0 | 0 | 0 | 111.6 | G176 L177 S198 D199 L209 | G176-T179 PolarHBondContact N-OG1 3.21Å; G176-T179 WeakPolarHBondContact O-CB 3.43Å; G176-T179 PolarHBondContact O-N 3.29Å; G176-T179 PolarHBondContact O-OG1 3.39Å; L177-T179 PolarHBondContact O-N 2.95Å; T179-S198 WeakPolarHBondContact OG1-CA 3.16Å; T179-S198 PolarHBondContact OG1-OG 3.02Å; T179-D199 CarbonylContact C-O 3.57Å; T179-D199 VanDerWaalsContact CA-O 3.28Å; T179-D199 WeakPolarHBondContact CA-O 3.46Å; T179-D199 VanDerWaalsContact CB-O 3.32Å; T179-D199 WeakPolarHBondContact CB-O 3.31Å; T179-L209 HydrophobicContact CG2-CD1 4.05Å | ||
| 180 | L | 98.8 | Very high | 95.6 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 133.8 | -178.7 | -67.7 | 170.5 | 0 | 0 | 0 | 111 | W5 C6 L7 R46 L47 S198 D199 | W5-L180 HydrophobicContact CE3-CB 4.42Å; W5-L180 HydrophobicContact CE3-CD2 4.42Å; W5-L180 HydrophobicContact CZ3-CB 4.42Å; W5-L180 HydrophobicContact CZ3-CD1 4.44Å; C6-L180 WeakPolarHBondContact O-CA 3.38Å; L7-L180 HydrophobicContact CB-CD2 4.1Å; L7-L180 HydrophobicContact CD1-CD2 3.89Å; L7-L180 HydrophobicContact CD1-CG 4.49Å; L7-L180 HydrophobicContact CG-CD2 4.44Å; R46-L180 HydrophobicContact CG-CD1 3.75Å; L47-L180 HydrophobicContact CD1-CD2 3.99Å; L47-L180 HydrophobicContact CD2-CD1 4.03Å; L47-L180 HydrophobicContact CD2-CD2 3.95Å; L47-L180 HydrophobicContact CG-CD1 4.32Å; L47-L180 HydrophobicContact CG-CD2 4.17Å; L180-S198 CarbonylContact O-C 3.54Å; L180-S198 PolarHBondContact O-N 2.74Å; L180-D199 PolarHBondContact N-O 3.49Å; L180-D199 PolarHBondContact O-N 2.68Å |
| 181 | T | 98.7 | Very high | 95.4 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 135.9 | 166.3 | -62.3 | 0 | 0 | 0 | 0 | 108.1 | W5 C6 I165 V175 L183 M196 V197 S198 | W5-T181 CarbonylContact C-O 3.49Å; W5-T181 WeakPolarHBondContact CA-O 3.31Å; C6-T181 PolarHBondContact N-O 2.94Å; C6-T181 PolarHBondContact O-N 3.21Å; I165-T181 HydrophobicContact CD1-CG2 3.92Å; I165-T181 HydrophobicContact CG1-CG2 4.27Å; V175-T181 WeakPolarHBondContact CG1-OG1 3.46Å; T181-L183 HydrophobicContact CG2-CD1 3.98Å; T181-L183 HydrophobicContact CG2-CG 4.45Å; T181-M196 CarbonylContact C-O 3.27Å; T181-M196 VanDerWaalsContact CA-O 3.29Å; T181-M196 WeakPolarHBondContact CA-O 3.42Å; T181-M196 VanDerWaalsContact CG2-O 3.3Å; T181-M196 WeakPolarHBondContact CG2-O 3.39Å; T181-V197 HydrophobicContact CG2-CG2 4.39Å; T181-S198 PolarHBondContact OG1-N 2.75Å |
| 182 | K | 98.6 | Very high | 95.5 | Very high | 23 Ų | 23 | 44.5 Ų | 44.5 | 10% | 0.1 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 119.5 | -178.8 | -167.2 | -169.9 | 179.4 | -177.3 | 0 | 109.7 | I3 I4 W5 L184 E195 M196 | I3-K182 HydrophobicContact CG2-CD 4.3Å; I3-K182 HydrophobicContact CG2-CG 3.74Å; I4-K182 WeakPolarHBondContact O-CA 3.28Å; W5-K182 HydrophobicContact CD2-CB 4.33Å; W5-K182 HydrophobicContact CD2-CD 4.48Å; W5-K182 HydrophobicContact CD2-CG 3.99Å; W5-K182 HydrophobicContact CE3-CB 3.88Å; W5-K182 HydrophobicContact CE3-CD 4.43Å; W5-K182 HydrophobicContact CE3-CG 4.01Å; W5-K182 HydrophobicContact CH2-CB 4.27Å; W5-K182 HydrophobicContact CH2-CD 3.52Å; W5-K182 HydrophobicContact CH2-CG 4.01Å; W5-K182 HydrophobicContact CZ2-CD 3.52Å; W5-K182 HydrophobicContact CZ2-CG 3.93Å; W5-K182 HydrophobicContact CZ3-CB 3.85Å; W5-K182 HydrophobicContact CZ3-CD 3.98Å; W5-K182 HydrophobicContact CZ3-CG 4.03Å; K182-L184 HydrophobicContact CD-CD1 4.26Å; K182-L184 HydrophobicContact CG-CD1 4.19Å; K182-E195 WeakPolarHBondContact CD-OE2 3.42Å; K182-E195 VanDerWaalsContact CE-OE2 3.29Å; K182-E195 WeakPolarHBondContact CE-OE2 3.48Å; K182-E195 IonicContact NZ-OE1 3.1Å; K182-E195 IonicContact NZ-OE2 3.63Å; K182-E195 PolarHBondContact NZ-OE2 3.37Å; K182-E195 PolarHBondContact O-N 2.85Å; K182-M196 HydrophobicContact CB-CB 3.96Å; K182-M196 PolarHBondContact N-O 3.34Å; K182-M196 PolarHBondContact O-N 3.12Å |
| 183 | L | 98.4 | Very high | 95.5 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 141.9 | 174.9 | -52.4 | 98.5 | 0 | 0 | 0 | 109.4 | I3 I4 I165 L168 T169 T181 W192 W193 I194 | I3-L183 WeakPolarHBondContact CA-O 3.24Å; I4-L183 HydrophobicContact CB-CB 4.38Å; I4-L183 HydrophobicContact CB-CD1 4.34Å; I4-L183 HydrophobicContact CG2-CD1 4.2Å; I4-L183 PolarHBondContact N-O 3Å; I4-L183 PolarHBondContact O-N 3.3Å; I165-L183 HydrophobicContact CG1-CD2 4.48Å; L168-L183 HydrophobicContact CB-CD2 4.23Å; L168-L183 HydrophobicContact CD1-CD2 4.29Å; T169-L183 HydrophobicContact CG2-CD2 3.49Å; T169-L183 VanDerWaalsContact CG2-CD2 3.49Å; T181-L183 HydrophobicContact CG2-CD1 3.98Å; T181-L183 HydrophobicContact CG2-CG 4.45Å; L183-W192 HydrophobicContact CB-CE3 4.03Å; L183-W192 HydrophobicContact CB-CZ3 4.49Å; L183-W193 CarbonylContact C-O 3.59Å; L183-W193 VanDerWaalsContact CA-O 3.28Å; L183-W193 WeakPolarHBondContact CA-O 3.16Å; L183-I194 HydrophobicContact CD2-CG1 4.25Å |
| 184 | L | 97 | Very high | 95.6 | Very high | 7 Ų | 7 | 42.8 Ų | 42.8 | 4% | 0.037 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 151.8 | 179.4 | -61.2 | 94.7 | 0 | 0 | 0 | 111 | M1 T2 I3 K182 W192 W193 E195 | M1-L184 HydrophobicContact CE-CD2 4.31Å; M1-L184 HydrophobicContact SD-CD2 3.72Å; T2-L184 WeakPolarHBondContact O-CA 3.32Å; I3-L184 HydrophobicContact CG1-CD2 4.26Å; I3-L184 HydrophobicContact CG1-CG 4.44Å; K182-L184 HydrophobicContact CD-CD1 4.26Å; K182-L184 HydrophobicContact CG-CD1 4.19Å; L184-W192 VanDerWaalsContact C-CE3 3.44Å; L184-W192 CarbonylContact O-C 3.56Å; L184-W192 VanDerWaalsContact O-CA 3.28Å; L184-W192 WeakPolarHBondContact O-CA 3.42Å; L184-W193 HydrophobicContact CB-CD2 4.43Å; L184-W193 HydrophobicContact CB-CH2 4.19Å; L184-W193 HydrophobicContact CB-CZ2 3.62Å; L184-W193 PolarHBondContact N-O 3.37Å; L184-W193 PolarHBondContact O-N 2.76Å; L184-E195 HydrophobicContact CD1-CB 3.21Å; L184-E195 HydrophobicContact CD1-CG 4.09Å |
| 185 | R | 95.2 | Very high | 95.7 | Very high | 32 Ų | 32 | 44.3 Ų | 44.3 | 12% | 0.121 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 121.7 | 168.9 | 178.7 | 176.4 | 68.6 | 169.6 | 2.4 | 109.2 | M1 T2 V140 S187 R190 W192 | M1-R185 CarbonylContact C-O 3.58Å; M1-R185 WeakPolarHBondContact CA-O 3.22Å; T2-R185 PolarHBondContact N-O 3.09Å; T2-R185 PolarHBondContact O-N 2.86Å; V140-R185 VanDerWaalsContact CG1-NH2 3.27Å; R185-S187 VanDerWaalsContact CD-O 3.29Å; R185-S187 WeakPolarHBondContact CD-O 3.5Å; R185-S187 WeakPolarHBondContact CG-O 3.42Å; R185-S187 PolarHBondContact O-N 3.03Å; R185-R190 WeakPolarHBondContact CD-O 3.36Å; R185-R190 WeakPolarHBondContact CG-O 3.41Å; R185-W192 HydrophobicContact CB-CD2 3.55Å; R185-W192 HydrophobicContact CB-CE3 3.58Å; R185-W192 HydrophobicContact CB-CG 4.08Å; R185-W192 HydrophobicContact CB-CH2 4.08Å; R185-W192 HydrophobicContact CB-CZ2 4.07Å; R185-W192 HydrophobicContact CB-CZ3 3.85Å; R185-W192 HydrophobicContact CG-CD2 4.4Å |
| 186 | D | 91 | Very high | 95.6 | Very high | 84 Ų | 84 | 46.5 Ų | 46.5 | 45% | 0.449 | 25% | 0.246 | S | C | . | . | S | Bend | trans | -59.7 | -49.3 | -179.2 | -73.1 | -38.7 | 0 | 0 | 0 | 112.3 | M1 R190 W193 | M1-D186 VanDerWaalsContact CA-O 3.23Å; M1-D186 WeakPolarHBondContact CA-O 3.47Å; M1-D186 PolarHBondContact N-O 3.18Å; D186-R190 HydrophobicContact CB-CB 4.44Å; D186-R190 HydrophobicContact CB-CG 4.22Å; D186-W193 HydrophobicContact CB-CH2 4.25Å; D186-W193 VanDerWaalsContact CG-CH2 3.4Å; D186-W193 WeakPolarHBondContact OD1-CH2 3.05Å; D186-W193 WeakPolarHBondContact OD2-CH2 3.43Å |
| 187 | S | 88.2 | Confident | 95.6 | Very high | 53 Ų | 53 | 49.8 Ų | 49.8 | 37% | 0.371 | 27% | 0.266 | S | S | . | . | S | Bend | trans | -150.5 | 164.8 | -178.4 | 71.5 | 0 | 0 | 0 | 0 | 110.6 | R185 A189 R190 | R185-S187 VanDerWaalsContact CD-O 3.29Å; R185-S187 WeakPolarHBondContact CD-O 3.5Å; R185-S187 WeakPolarHBondContact CG-O 3.42Å; R185-S187 PolarHBondContact O-N 3.03Å; S187-A189 PolarHBondContact O-N 3.44Å; S187-A189 VanDerWaalsContact O-N 3.07Å; S187-R190 PolarHBondContact O-N 3.22Å |
| 188 | T | 86.2 | Confident | 95.6 | Very high | 115 Ų | 115 | 51.3 Ų | 51.3 | 71% | 0.706 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | -24.1 | 179.4 | 53 | 0 | 0 | 0 | 0 | 113.9 | ||
| 189 | A | 87.5 | Confident | 95.6 | Very high | 91 Ų | 91 | 53.3 Ų | 53.3 | 75% | 0.752 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.6 | -7.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | S187 | S187-A189 PolarHBondContact O-N 3.44Å; S187-A189 VanDerWaalsContact O-N 3.07Å |
| 190 | R | 91.7 | Very high | 95.6 | Very high | 154 Ų | 154 | 54.4 Ų | 54.4 | 58% | 0.581 | 30% | 0.296 | S | S | * | . | S | Bend | trans | -104 | 149.2 | -179.5 | -67.8 | -66.6 | -146.4 | -179.7 | 5.6 | 110.9 | R185 D186 S187 | R185-R190 WeakPolarHBondContact CD-O 3.36Å; R185-R190 WeakPolarHBondContact CG-O 3.41Å; D186-R190 HydrophobicContact CB-CB 4.44Å; D186-R190 HydrophobicContact CB-CG 4.22Å; S187-R190 PolarHBondContact O-N 3.22Å |
| 191 | P | 95 | Very high | 95.5 | Very high | 100 Ų | 100 | 57.8 Ų | 57.8 | 65% | 0.649 | 32% | 0.319 | S | S | * | . | trans | -66.9 | 157.5 | 173.3 | 30.4 | -35.2 | 0 | 0 | 0 | 110.8 | ||||
| 192 | W | 97.6 | Very high | 95.5 | Very high | 27 Ų | 27 | 59.1 Ų | 59.1 | 10% | 0.102 | 33% | 0.325 | C | S | . | . | trans | -74.3 | 147.9 | 166.1 | -65.5 | 87.2 | 0 | 0 | 0 | 110.5 | T2 I4 V140 L168 T169 L183 L184 R185 | T2-W192 HydrophobicContact CG2-CH2 3.59Å; T2-W192 HydrophobicContact CG2-CZ2 4.4Å; T2-W192 HydrophobicContact CG2-CZ3 4.4Å; I4-W192 HydrophobicContact CB-CZ3 4.22Å; I4-W192 HydrophobicContact CD1-CH2 4.19Å; I4-W192 HydrophobicContact CG1-CH2 3.42Å; I4-W192 VanDerWaalsContact CG1-CH2 3.42Å; I4-W192 HydrophobicContact CG1-CZ2 4.32Å; I4-W192 HydrophobicContact CG1-CZ3 3.56Å; V140-W192 HydrophobicContact CG1-CZ2 4.25Å; V140-W192 HydrophobicContact CG2-CZ2 4.15Å; L168-W192 HydrophobicContact CB-CB 4.18Å; L168-W192 HydrophobicContact CB-CD2 4.35Å; L168-W192 HydrophobicContact CB-CG 3.92Å; L168-W192 HydrophobicContact CD1-CD2 4.26Å; L168-W192 HydrophobicContact CD1-CE3 4.44Å; L168-W192 HydrophobicContact CD2-CD2 4.4Å; L168-W192 HydrophobicContact CD2-CG 4.44Å; L168-W192 HydrophobicContact CD2-CZ2 4.43Å; L168-W192 WeakPolarHBondContact O-CB 3.44Å; T169-W192 HydrophobicContact CG2-CB 4.09Å; L183-W192 HydrophobicContact CB-CE3 4.03Å; L183-W192 HydrophobicContact CB-CZ3 4.49Å; L184-W192 VanDerWaalsContact C-CE3 3.44Å; L184-W192 CarbonylContact O-C 3.56Å; L184-W192 VanDerWaalsContact O-CA 3.28Å; L184-W192 WeakPolarHBondContact O-CA 3.42Å; R185-W192 HydrophobicContact CB-CD2 3.55Å; R185-W192 HydrophobicContact CB-CE3 3.58Å; R185-W192 HydrophobicContact CB-CG 4.08Å; R185-W192 HydrophobicContact CB-CH2 4.08Å; R185-W192 HydrophobicContact CB-CZ2 4.07Å; R185-W192 HydrophobicContact CB-CZ3 3.85Å; R185-W192 HydrophobicContact CG-CD2 4.4Å | ||
| 193 | W | 97.1 | Very high | 95.5 | Very high | 95 Ų | 95 | 58.3 Ų | 58.3 | 36% | 0.36 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 163 | 165.8 | 66.8 | 92.1 | 0 | 0 | 0 | 111.1 | L183 L184 D186 | L183-W193 CarbonylContact C-O 3.59Å; L183-W193 VanDerWaalsContact CA-O 3.28Å; L183-W193 WeakPolarHBondContact CA-O 3.16Å; L184-W193 HydrophobicContact CB-CD2 4.43Å; L184-W193 HydrophobicContact CB-CH2 4.19Å; L184-W193 HydrophobicContact CB-CZ2 3.62Å; L184-W193 PolarHBondContact N-O 3.37Å; L184-W193 PolarHBondContact O-N 2.76Å; D186-W193 HydrophobicContact CB-CH2 4.25Å; D186-W193 VanDerWaalsContact CG-CH2 3.4Å; D186-W193 WeakPolarHBondContact OD1-CH2 3.05Å; D186-W193 WeakPolarHBondContact OD2-CH2 3.43Å |
| 194 | I | 98.2 | Very high | 95.5 | Very high | 40 Ų | 40 | 62.8 Ų | 62.8 | 21% | 0.205 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 119.9 | 179.9 | -54.4 | 175.1 | 0 | 0 | 0 | 107.5 | I165 T169 L183 M196 V197 | I165-I194 HydrophobicContact CG2-CD1 3.71Å; T169-I194 HydrophobicContact CG2-CD1 4.41Å; T169-I194 HydrophobicContact CG2-CG1 3.91Å; L183-I194 HydrophobicContact CD2-CG1 4.25Å; I194-M196 WeakPolarHBondContact CG2-O 3.42Å; I194-V197 HydrophobicContact CG2-CB 3.98Å |
| 195 | E | 97.9 | Very high | 95.6 | Very high | 108 Ų | 108 | 65.2 Ų | 65.2 | 51% | 0.505 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | -34.4 | 170.4 | 174.9 | 179.4 | -72.7 | 0 | 0 | 111.3 | K182 L184 | K182-E195 WeakPolarHBondContact CD-OE2 3.42Å; K182-E195 VanDerWaalsContact CE-OE2 3.29Å; K182-E195 WeakPolarHBondContact CE-OE2 3.48Å; K182-E195 IonicContact NZ-OE1 3.1Å; K182-E195 IonicContact NZ-OE2 3.63Å; K182-E195 PolarHBondContact NZ-OE2 3.37Å; K182-E195 PolarHBondContact O-N 2.85Å; L184-E195 HydrophobicContact CD1-CB 3.21Å; L184-E195 HydrophobicContact CD1-CG 4.09Å |
| 196 | M | 97.9 | Very high | 95.7 | Very high | 46 Ų | 46 | 69.2 Ų | 69.2 | 23% | 0.227 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 136.1 | -174.9 | -177.9 | -176.4 | -73.4 | 0 | 0 | 109 | W5 T181 K182 I194 D199 | W5-M196 HydrophobicContact CZ3-SD 4.43Å; T181-M196 CarbonylContact C-O 3.27Å; T181-M196 VanDerWaalsContact CA-O 3.29Å; T181-M196 WeakPolarHBondContact CA-O 3.42Å; T181-M196 VanDerWaalsContact CG2-O 3.3Å; T181-M196 WeakPolarHBondContact CG2-O 3.39Å; K182-M196 HydrophobicContact CB-CB 3.96Å; K182-M196 PolarHBondContact N-O 3.34Å; K182-M196 PolarHBondContact O-N 3.12Å; I194-M196 WeakPolarHBondContact CG2-O 3.42Å; M196-D199 HydrophobicContact CE-CB 4.39Å; M196-D199 HydrophobicContact CG-CB 3.39Å; M196-D199 HydrophobicContact SD-CB 3.32Å; M196-D199 WeakPolarHBondContact SD-CB 3.42Å |
| 197 | V | 97.8 | Very high | 95.9 | Very high | 69 Ų | 69 | 69.4 Ų | 69.4 | 42% | 0.418 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 130.4 | 178.2 | 63.7 | 0 | 0 | 0 | 0 | 110.7 | R173 V175 T181 I194 D199 | R173-V197 HydrophobicContact CB-CG2 4.18Å; R173-V197 HydrophobicContact CG-CG2 4.43Å; V175-V197 HydrophobicContact CG1-CG2 4.39Å; T181-V197 HydrophobicContact CG2-CG2 4.39Å; I194-V197 HydrophobicContact CG2-CB 3.98Å; V197-D199 PolarHBondContact O-N 3.39Å |
| 198 | S | 97.9 | Very high | 96.1 | Very high | 33 Ų | 33 | 71.7 Ų | 71.7 | 23% | 0.231 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 47.8 | 35.8 | 177.6 | -168 | 0 | 0 | 0 | 0 | 114 | G176 T179 L180 T181 S200 | G176-S198 PolarHBondContact N-OG 3.47Å; T179-S198 WeakPolarHBondContact OG1-CA 3.16Å; T179-S198 PolarHBondContact OG1-OG 3.02Å; L180-S198 CarbonylContact O-C 3.54Å; L180-S198 PolarHBondContact O-N 2.74Å; T181-S198 PolarHBondContact OG1-N 2.75Å; S198-S200 PolarHBondContact O-N 2.63Å |
| 199 | D | 98.3 | Very high | 96.5 | Very high | 41 Ų | 41 | 67.3 Ų | 67.3 | 22% | 0.219 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 129.9 | 179.2 | -178.3 | 68.3 | 0 | 0 | 0 | 110.5 | T179 L180 M196 V197 S201 H202 | T179-D199 CarbonylContact C-O 3.57Å; T179-D199 VanDerWaalsContact CA-O 3.28Å; T179-D199 WeakPolarHBondContact CA-O 3.46Å; T179-D199 VanDerWaalsContact CB-O 3.32Å; T179-D199 WeakPolarHBondContact CB-O 3.31Å; L180-D199 PolarHBondContact N-O 3.49Å; L180-D199 PolarHBondContact O-N 2.68Å; M196-D199 HydrophobicContact CE-CB 4.39Å; M196-D199 HydrophobicContact CG-CB 3.39Å; M196-D199 HydrophobicContact SD-CB 3.32Å; M196-D199 WeakPolarHBondContact SD-CB 3.42Å; V197-D199 PolarHBondContact O-N 3.39Å; D199-S201 WeakPolarHBondContact OD1-CB 3.49Å; D199-S201 VanDerWaalsContact OD2-CB 3.3Å; D199-S201 WeakPolarHBondContact OD2-CB 3.29Å; D199-S201 PolarHBondContact OD2-N 3.19Å; D199-S201 VanDerWaalsContact OD2-N 3.14Å; D199-S201 PolarHBondContact OD2-OG 2.91Å; D199-H202 PolarHBondContact O-CE1 2.89Å |
| 200 | S | 98.2 | Very high | 96.7 | Very high | 25 Ų | 25 | 67.7 Ų | 67.7 | 18% | 0.175 | 35% | 0.351 | C | S | . | . | trans | -120.3 | 20.2 | -179.9 | 77.4 | 0 | 0 | 0 | 0 | 110.8 | S198 H202 L203 K206 | S198-S200 PolarHBondContact O-N 2.63Å; S200-H202 PolarHBondContact O-N 2.96Å; S200-L203 PolarHBondContact O-N 2.96Å; S200-L203 VanDerWaalsContact O-N 3.09Å; S200-K206 WeakPolarHBondContact O-CE 3.41Å | ||
| 201 | S | 98.1 | Very high | 95.7 | Very high | 71 Ų | 71 | 62.4 Ų | 62.4 | 50% | 0.497 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63 | -27.7 | -173.5 | 66.9 | 0 | 0 | 0 | 0 | 112.5 | D199 | D199-S201 WeakPolarHBondContact OD1-CB 3.49Å; D199-S201 VanDerWaalsContact OD2-CB 3.3Å; D199-S201 WeakPolarHBondContact OD2-CB 3.29Å; D199-S201 PolarHBondContact OD2-N 3.19Å; D199-S201 VanDerWaalsContact OD2-N 3.14Å; D199-S201 PolarHBondContact OD2-OG 2.91Å |
| 202 | H | 98.3 | Very high | 94.1 | Very high | 28 Ų | 28 | 69.9 Ų | 69.9 | 13% | 0.13 | 36% | 0.358 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.5 | -16.9 | 176.1 | 59.5 | -77.5 | 0 | 0 | 0 | 114.6 | R46 C178 D199 S200 | R46-H202 HydrophobicContact CB-CB 3.65Å; R46-H202 HydrophobicContact CG-CB 3.93Å; C178-H202 PolarHBondContact O-CE1 3.4Å; C178-H202 VanDerWaalsContact O-CE1 3.31Å; C178-H202 PolarHBondContact O-NE2 2.72Å; D199-H202 PolarHBondContact O-CE1 2.89Å; S200-H202 PolarHBondContact O-N 2.96Å |
| 203 | L | 98.6 | Very high | 93.9 | Very high | 5 Ų | 5 | 72.1 Ų | 72.1 | 3% | 0.026 | 37% | 0.37 | C | S | . | . | trans | -83.3 | 126.9 | -176.8 | -60.3 | -177 | 0 | 0 | 0 | 111.1 | Q39 E42 C178 S200 K206 L209 | Q39-L203 HydrophobicContact CB-CD2 3.94Å; Q39-L203 HydrophobicContact CG-CD2 4.07Å; E42-L203 HydrophobicContact CB-CD2 4.32Å; E42-L203 VanDerWaalsContact OE2-CA 3.31Å; E42-L203 WeakPolarHBondContact OE2-CA 3.45Å; C178-L203 HydrophobicContact CB-CD1 4.33Å; C178-L203 HydrophobicContact CB-CD2 4.29Å; S200-L203 PolarHBondContact O-N 2.96Å; S200-L203 VanDerWaalsContact O-N 3.09Å; L203-K206 HydrophobicContact CB-CG 4.29Å; L203-K206 WeakPolarHBondContact O-CE 3.29Å; L203-L209 HydrophobicContact CD1-CD1 4.05Å; L203-L209 HydrophobicContact CD1-CD2 3.77Å | ||
| 204 | S | 98.2 | Very high | 93.8 | Very high | 94 Ų | 94 | 70.8 Ų | 70.8 | 66% | 0.657 | 37% | 0.371 | S | S | * | . | S | Bend | trans | -72.2 | -36.5 | 174.5 | 60.7 | 0 | 0 | 0 | 0 | 112.3 | E42 | E42-S204 WeakPolarHBondContact OE1-CB 3.46Å; E42-S204 PolarHBondContact OE1-OG 3.28Å; E42-S204 PolarHBondContact OE2-N 2.71Å; E42-S204 PolarHBondContact OE2-OG 2.79Å |
| 205 | D | 98.1 | Very high | 93.5 | Very high | 59 Ų | 59 | 72.6 Ų | 72.6 | 32% | 0.316 | 38% | 0.38 | S | S | . | . | trans | -110.3 | 106.2 | 172.5 | -179.6 | 7.5 | 0 | 0 | 0 | 111.2 | K35 T207 | K35-D205 WeakPolarHBondContact CE-OD2 3.13Å; K35-D205 IonicContact NZ-OD1 2.67Å; K35-D205 IonicContact NZ-OD2 2.81Å; K35-D205 PolarHBondContact NZ-OD2 2.87Å; D205-T207 VanDerWaalsContact CG-OG1 3.3Å; D205-T207 VanDerWaalsContact OD1-CB 3.26Å; D205-T207 WeakPolarHBondContact OD1-CB 3.49Å; D205-T207 VanDerWaalsContact OD1-CG2 3.3Å; D205-T207 WeakPolarHBondContact OD1-CG2 3.3Å; D205-T207 PolarHBondContact OD1-N 2.96Å; D205-T207 PolarHBondContact OD1-OG1 3.11Å; D205-T207 PolarHBondContact OD2-OG1 2.64Å | ||
| 206 | K | 97.1 | Very high | 93.3 | Very high | 116 Ų | 116 | 70.5 Ų | 70.5 | 50% | 0.504 | 37% | 0.373 | S | S | . | . | trans | -95.1 | 8.8 | 179.6 | -57.1 | 177.7 | -170 | -174.6 | 0 | 113.2 | S200 L203 L209 | S200-K206 WeakPolarHBondContact O-CE 3.41Å; L203-K206 HydrophobicContact CB-CG 4.29Å; L203-K206 WeakPolarHBondContact O-CE 3.29Å; K206-L209 HydrophobicContact CB-CD1 4.39Å | ||
| 207 | T | 95.2 | Very high | 93 | Very high | 88 Ų | 88 | 72 Ų | 72 | 54% | 0.54 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.8 | 141.7 | 178.8 | 63.2 | 0 | 0 | 0 | 0 | 111.1 | K35 D205 L209 | K35-T207 PolarHBondContact NZ-O 3.25Å; K35-T207 PolarHBondContact NZ-OG1 3.45Å; D205-T207 VanDerWaalsContact CG-OG1 3.3Å; D205-T207 VanDerWaalsContact OD1-CB 3.26Å; D205-T207 WeakPolarHBondContact OD1-CB 3.49Å; D205-T207 VanDerWaalsContact OD1-CG2 3.3Å; D205-T207 WeakPolarHBondContact OD1-CG2 3.3Å; D205-T207 PolarHBondContact OD1-N 2.96Å; D205-T207 PolarHBondContact OD1-OG1 3.11Å; D205-T207 PolarHBondContact OD2-OG1 2.64Å; T207-L209 PolarHBondContact O-N 3.42Å |
| 208 | N | 92.6 | Very high | 92.7 | Very high | 100 Ų | 100 | 72.2 Ų | 72.2 | 54% | 0.535 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.1 | 46 | 171.6 | -163.6 | 22 | 0 | 0 | 0 | 115.2 | R210 | N208-R210 PolarHBondContact O-N 2.69Å; N208-R210 VanDerWaalsContact O-N 3.1Å |
| 209 | L | 95.5 | Very high | 92.3 | Very high | 24 Ų | 24 | 75 Ų | 75 | 13% | 0.126 | 39% | 0.39 | C | S | . | . | trans | -71.2 | 0.8 | 177.4 | -57.8 | -179 | 0 | 0 | 0 | 113.6 | G176 L177 T179 L203 K206 T207 A211 | G176-L209 CarbonylContact C-O 3.55Å; G176-L209 VanDerWaalsContact CA-O 3.29Å; G176-L209 WeakPolarHBondContact CA-O 3.43Å; L177-L209 WeakPolarHBondContact CG-O 3.33Å; L177-L209 PolarHBondContact N-O 3.27Å; T179-L209 HydrophobicContact CG2-CD1 4.05Å; L203-L209 HydrophobicContact CD1-CD1 4.05Å; L203-L209 HydrophobicContact CD1-CD2 3.77Å; K206-L209 HydrophobicContact CB-CD1 4.39Å; T207-L209 PolarHBondContact O-N 3.42Å; L209-A211 PolarHBondContact O-N 3.42Å | ||
| 210 | R | 90.7 | Very high | 91.8 | Very high | 98 Ų | 98 | 77.6 Ų | 77.6 | 37% | 0.37 | 40% | 0.403 | S | S | . | . | trans | 46.6 | 51.6 | 176.6 | -61.2 | -172.7 | 174.6 | -145 | 2.8 | 113.4 | R8 Y15 L177 N208 Y212 | R8-R210 PolarHBondContact NH1-O 3.16Å; Y15-R210 VanDerWaalsContact CG-CZ 3.44Å; L177-R210 HydrophobicContact CD1-CB 4.13Å; L177-R210 HydrophobicContact CD1-CG 4.19Å; L177-R210 HydrophobicContact CG-CB 4.4Å; N208-R210 PolarHBondContact O-N 2.69Å; N208-R210 VanDerWaalsContact O-N 3.1Å; R210-Y212 PolarHBondContact O-N 3.42Å | ||
| 211 | A | 72.3 | Confident | 91.3 | Very high | 43 Ų | 43 | 82 Ų | 82 | 36% | 0.355 | 42% | 0.422 | S | S | . | . | trans | -60.2 | -35.1 | -176.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y174 L209 | Y174-A211 WeakPolarHBondContact CB-O 3.37Å; L209-A211 PolarHBondContact O-N 3.42Å | ||
| 212 | Y | 60.9 | Low | 90.7 | Very high | 258 Ų | 258 | 83 Ų | 83 | 100% | 1.012 | 42% | 0.415 | S | S | * | . | trans | -176 | 0 | 156.3 | 59.9 | -83.6 | 0 | 0 | 0 | 106.3 | R210 | R210-Y212 PolarHBondContact O-N 3.42Š|
Retrieved 212 of 212 residues in 394.2 ms
(Link to these results)