| 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 | 88.9 | Confident | 95.1 | Very high | 83 Ų | 83 | 28.3 Ų | 28.3 | 41% | 0.409 | 13% | 0.128 | S | C | . | . | 0 | 117.1 | 0 | 178.6 | 177.6 | -179.9 | 0 | 0 | 106.2 | L3 L1039 I1055 N1172 | M1-L3 HydrophobicContact CE-CD1 4.23Å; M1-L3 HydrophobicContact CE-CD2 3.94Å; M1-L3 HydrophobicContact CE-CG 4.35Å; M1-L1039 HydrophobicContact CE-CD1 4.05Å; M1-I1055 HydrophobicContact CE-CD1 3.59Å; M1-I1055 HydrophobicContact SD-CD1 4.43Å; M1-N1172 WeakPolarHBondContact O-CB 3.43Å | |||
| 2 | F | 95.9 | Very high | 95.1 | Very high | 54 Ų | 54 | 26.8 Ų | 26.8 | 24% | 0.237 | 12% | 0.123 | C | C | . | . | trans | -124.7 | 138.1 | -179.8 | -57.8 | -79.6 | 0 | 0 | 0 | 108.5 | F1132 H1135 H1138 N1172 | F2-F1132 HydrophobicContact CB-CD2 3.74Å; F2-F1132 HydrophobicContact CB-CE2 4.5Å; F2-F1132 PolarHBondContact O-N 3.25Å; F2-H1135 AromaticContact CE2-CE1 3.76Å; F2-H1138 AromaticContact CD1-CD2 3.54Å; F2-H1138 AromaticContact CD1-NE2 3.31Å; F2-H1138 VanDerWaalsContact CD1-NE2 3.31Å; F2-H1138 WeakPolarHBondContact CD1-NE2 3.37Å; F2-H1138 AromaticContact CE1-CE1 3.99Å; F2-H1138 AromaticContact CE1-NE2 3.69Å; F2-H1138 AromaticContact CG-CD2 3.55Å; F2-H1138 AromaticContact CG-NE2 3.85Å; F2-N1172 WeakPolarHBondContact CA-O 3.46Å; F2-N1172 HydrophobicContact CD1-CB 3.72Å; F2-N1172 HydrophobicContact CE1-CB 4.24Å; F2-N1172 WeakPolarHBondContact CE1-OD1 3.33Å | ||
| 3 | L | 98.1 | Very high | 95.2 | Very high | 5 Ų | 5 | 25.4 Ų | 25.4 | 3% | 0.026 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 155.9 | -176.8 | -61 | 176.2 | 0 | 0 | 0 | 111.6 | M1 I1055 V1093 L1129 V1130 P1131 N1172 V1173 I1174 | M1-L3 HydrophobicContact CE-CD1 4.23Å; M1-L3 HydrophobicContact CE-CD2 3.94Å; M1-L3 HydrophobicContact CE-CG 4.35Å; L3-I1055 HydrophobicContact CD1-CD1 3.53Å; L3-V1093 HydrophobicContact CD1-CG1 4.22Å; L3-V1093 HydrophobicContact CD1-CG2 4.13Å; L3-L1129 HydrophobicContact CB-CD2 4.42Å; L3-L1129 HydrophobicContact CD1-CB 4.15Å; L3-L1129 HydrophobicContact CD1-CD1 4.2Å; L3-V1130 CarbonylContact C-O 3.48Å; L3-V1130 VanDerWaalsContact CA-O 3.24Å; L3-V1130 WeakPolarHBondContact CA-O 3.38Å; L3-P1131 HydrophobicContact CD2-CB 4.25Å; L3-N1172 PolarHBondContact N-O 3.29Å; L3-V1173 HydrophobicContact CB-CG1 4.5Å; L3-V1173 HydrophobicContact CB-CG2 4.25Å; L3-V1173 VanDerWaalsContact O-CA 3.31Å; L3-V1173 WeakPolarHBondContact O-CA 3.2Å; L3-I1174 PolarHBondContact O-N 3.45Å |
| 4 | Y | 98.1 | Very high | 95.4 | Very high | 1 Ų | 1 | 23.9 Ų | 23.9 | 0% | 0.004 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 122.2 | 175.8 | -174.4 | -101.7 | 0 | 0 | 0 | 108.9 | I6 L1129 V1130 F1132 F1141 I1174 G1176 I1211 | Y4-I6 HydrophobicContact CD1-CD1 3.6Å; Y4-I6 HydrophobicContact CD1-CG1 3.54Å; Y4-I6 HydrophobicContact CE1-CD1 3.54Å; Y4-I6 HydrophobicContact CE1-CG1 3.36Å; Y4-L1129 WeakPolarHBondContact O-CA 2.96Å; Y4-V1130 PolarHBondContact N-O 3.48Å; Y4-V1130 PolarHBondContact O-N 2.8Å; Y4-F1132 HydrophobicContact CD2-CE1 4.38Å; Y4-F1132 HydrophobicContact CD2-CE2 4.49Å; Y4-F1132 AromaticContact CD2-CZ 3.72Å; Y4-F1132 HydrophobicContact CD2-CZ 3.72Å; Y4-F1132 HydrophobicContact CG-CZ 4.11Å; Y4-F1141 HydrophobicContact CD2-CD1 4.25Å; Y4-F1141 HydrophobicContact CD2-CG 4.47Å; Y4-F1141 HydrophobicContact CE2-CB 4.38Å; Y4-F1141 AromaticContact CE2-CD1 3.47Å; Y4-F1141 HydrophobicContact CE2-CD1 3.47Å; Y4-F1141 VanDerWaalsContact CE2-CD1 3.47Å; Y4-F1141 AromaticContact CE2-CE1 3.91Å; Y4-F1141 HydrophobicContact CE2-CE1 3.91Å; Y4-F1141 HydrophobicContact CE2-CG 4.1Å; Y4-F1141 AromaticContact CZ-CD1 3.9Å; Y4-F1141 AromaticContact CZ-CE1 3.86Å; Y4-I1174 HydrophobicContact CD2-CB 3.96Å; Y4-I1174 HydrophobicContact CD2-CG2 3.96Å; Y4-I1174 HydrophobicContact CE2-CG2 4.05Å; Y4-G1176 VanDerWaalsContact CE2-CA 3.45Å; Y4-G1176 WeakPolarHBondContact OH-CA 3.21Å; Y4-I1211 HydrophobicContact CD1-CG2 3.78Å; Y4-I1211 HydrophobicContact CE1-CB 4.45Å; Y4-I1211 HydrophobicContact CE1-CG2 4.01Å |
| 5 | N | 98.1 | Very high | 95.5 | Very high | 1 Ų | 1 | 26.4 Ų | 26.4 | 1% | 0.005 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 131.1 | -178.6 | 174.2 | 71.2 | 0 | 0 | 0 | 111.4 | Y1095 Y1119 L1129 V1173 I1174 D1175 G1176 D1177 | N5-Y1095 HydrophobicContact CB-CE1 3.73Å; N5-Y1095 PolarHBondContact ND2-OH 2.78Å; N5-Y1119 PolarHBondContact OD1-OH 3.07Å; N5-L1129 HydrophobicContact CB-CD2 3.94Å; N5-V1173 HydrophobicContact CB-CG1 4.29Å; N5-I1174 PolarHBondContact N-O 3.2Å; N5-D1175 PolarHBondContact ND2-OD1 3.31Å; N5-G1176 WeakPolarHBondContact O-CA 3.45Å; N5-G1176 PolarHBondContact O-N 2.86Å; N5-D1177 PolarHBondContact ND2-OD2 3.21Å; N5-D1177 VanDerWaalsContact ND2-OD2 3.09Å |
| 6 | I | 95.7 | Very high | 95.6 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 134.5 | 172.8 | -63.7 | 161.1 | 0 | 0 | 0 | 110.3 | Y4 L8 G1127 I1128 V1130 I1211 R1212 | Y4-I6 HydrophobicContact CD1-CD1 3.6Å; Y4-I6 HydrophobicContact CD1-CG1 3.54Å; Y4-I6 HydrophobicContact CE1-CD1 3.54Å; Y4-I6 HydrophobicContact CE1-CG1 3.36Å; I6-L8 HydrophobicContact CG2-CD2 4.26Å; I6-G1127 CarbonylContact O-C 3.54Å; I6-G1127 WeakPolarHBondContact O-CA 3.39Å; I6-I1128 HydrophobicContact CB-CD1 4.39Å; I6-I1128 HydrophobicContact CB-CG1 3.87Å; I6-I1128 HydrophobicContact CD1-CD1 4.38Å; I6-I1128 PolarHBondContact N-O 2.72Å; I6-I1128 PolarHBondContact O-N 2.75Å; I6-V1130 HydrophobicContact CD1-CG2 4.42Å; I6-I1211 HydrophobicContact CD1-CB 4.43Å; I6-I1211 HydrophobicContact CD1-CG2 3.56Å; I6-R1212 HydrophobicContact CD1-CG 4.42Å; I6-R1212 VanDerWaalsContact CG2-CZ 3.42Å; I6-R1212 VanDerWaalsContact CG2-NH2 3.29Å |
| 7 | T | 95 | Very high | 95.8 | Very high | 10 Ų | 10 | 27.4 Ų | 27.4 | 6% | 0.061 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 128.8 | 167.8 | -62.4 | 0 | 0 | 0 | 0 | 111.1 | Q9 R10 D1177 R1212 | T7-Q9 VanDerWaalsContact CG2-O 3.3Å; T7-Q9 WeakPolarHBondContact CG2-O 3.34Å; T7-R10 HydrophobicContact CG2-CB 4.47Å; T7-R10 HydrophobicContact CG2-CG 3.9Å; T7-D1177 WeakPolarHBondContact CB-OD1 3.27Å; T7-D1177 PolarHBondContact N-OD1 3.21Å; T7-D1177 PolarHBondContact OG1-OD1 3.43Å; T7-D1177 PolarHBondContact OG1-OD2 3.01Å; T7-R1212 PolarHBondContact O-NH1 3.1Å; T7-R1212 PolarHBondContact O-NH2 2.86Å; T7-R1212 VanDerWaalsContact O-NH2 3.17Å |
| 8 | L | 92.3 | Very high | 95.9 | Very high | 16 Ų | 16 | 26.9 Ų | 26.9 | 8% | 0.084 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | -49.8 | 175.7 | -57.8 | -175.6 | 0 | 0 | 0 | 111.1 | I6 F774 L1109 I1126 I1128 A1216 F1217 | I6-L8 HydrophobicContact CG2-CD2 4.26Å; L8-F774 HydrophobicContact CB-CE2 4.08Å; L8-F774 HydrophobicContact CB-CZ 4.38Å; L8-L1109 HydrophobicContact CD1-CD1 3.56Å; L8-I1126 PolarHBondContact N-O 3.36Å; L8-I1128 HydrophobicContact CD1-CG2 3.69Å; L8-I1128 HydrophobicContact CD2-CD1 4.17Å; L8-I1128 HydrophobicContact CD2-CG1 4.44Å; L8-I1128 HydrophobicContact CG-CG2 4.18Å; L8-A1216 HydrophobicContact CD2-CB 3.66Å; L8-F1217 HydrophobicContact CD1-CD2 4.27Å; L8-F1217 HydrophobicContact CD1-CE2 4.04Å |
| 9 | Q | 93.3 | Very high | 96 | Very high | 42 Ų | 42 | 28.7 Ų | 28.7 | 20% | 0.196 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 120.6 | 171 | -179.1 | 61.5 | 26.5 | 0 | 0 | 107.4 | T7 L404 F774 G1125 I1126 | T7-Q9 VanDerWaalsContact CG2-O 3.3Å; T7-Q9 WeakPolarHBondContact CG2-O 3.34Å; Q9-L404 HydrophobicContact CG-CD1 4.16Å; Q9-F774 HydrophobicContact CB-CD2 4Å; Q9-F774 HydrophobicContact CB-CE2 3.98Å; Q9-G1125 CarbonylContact O-C 3.58Å; Q9-G1125 VanDerWaalsContact O-CA 3.31Å; Q9-G1125 WeakPolarHBondContact O-CA 3.04Å; Q9-I1126 HydrophobicContact CB-CB 3.95Å; Q9-I1126 HydrophobicContact CB-CD1 4.15Å; Q9-I1126 HydrophobicContact CB-CG1 4.06Å; Q9-I1126 PolarHBondContact N-O 2.87Å; Q9-I1126 PolarHBondContact O-N 2.8Å |
| 10 | R | 94.8 | Very high | 96 | Very high | 96 Ų | 96 | 27.4 Ų | 27.4 | 36% | 0.362 | 14% | 0.136 | S | C | . | . | trans | -67.2 | 159.8 | 175.8 | -76.6 | -177.8 | -176.3 | 179.1 | 4.2 | 110.8 | T7 T12 I37 T55 | T7-R10 HydrophobicContact CG2-CB 4.47Å; T7-R10 HydrophobicContact CG2-CG 3.9Å; R10-T12 PolarHBondContact O-N 2.64Å; R10-I37 HydrophobicContact CB-CD1 3.69Å; R10-I37 HydrophobicContact CG-CD1 3.95Å; R10-T55 PolarHBondContact NH1-O 3.16Å; R10-T55 PolarHBondContact NH1-OG1 3.45Å | ||
| 11 | A | 96 | Very high | 96 | Very high | 3 Ų | 3 | 26.5 Ų | 26.5 | 3% | 0.025 | 13% | 0.132 | C | C | . | . | trans | -53.9 | 140.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | R34 I37 | A11-R34 HydrophobicContact CB-CB 4.36Å; A11-R34 WeakPolarHBondContact O-CD 3.45Å; A11-I37 HydrophobicContact CB-CD1 4.2Å | ||
| 12 | T | 95.4 | Very high | 96.4 | Very high | 11 Ų | 11 | 22.6 Ų | 22.6 | 7% | 0.067 | 11% | 0.113 | C | C | . | . | trans | -113.9 | -18 | -177.7 | 53.7 | 0 | 0 | 0 | 0 | 112.3 | R10 R34 H356 N403 L404 S1123 | R10-T12 PolarHBondContact O-N 2.64Å; T12-R34 PolarHBondContact O-NH1 2.9Å; T12-H356 PolarHBondContact O-NE2 2.78Å; T12-N403 WeakPolarHBondContact CB-OD1 3.38Å; T12-N403 PolarHBondContact O-OD1 3.4Å; T12-N403 PolarHBondContact OG1-OD1 3.1Å; T12-L404 PolarHBondContact OG1-N 3.23Å; T12-S1123 PolarHBondContact N-O 3.13Å | ||
| 13 | G | 96.4 | Very high | 96.4 | Very high | 8 Ų | 8 | 20.7 Ų | 20.7 | 8% | 0.082 | 11% | 0.106 | C | C | . | . | trans | -68 | 133.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | R34 N403 S1123 | G13-R34 WeakPolarHBondContact O-CA 3.44Å; G13-R34 VanDerWaalsContact O-CB 3.23Å; G13-R34 WeakPolarHBondContact O-CB 3.5Å; G13-R34 WeakPolarHBondContact O-CG 3.26Å; G13-N403 PolarHBondContact N-OD1 3.07Å; G13-S1123 PolarHBondContact N-O 3.38Å | ||
| 14 | I | 98.2 | Very high | 96.1 | Very high | 4 Ų | 4 | 21.8 Ų | 21.8 | 2% | 0.021 | 12% | 0.119 | C | C | . | . | trans | -100.2 | 125.3 | 177.4 | -64.5 | 170.5 | 0 | 0 | 0 | 110.1 | H16 A17 V32 R34 T337 F348 A350 H356 | I14-H16 WeakPolarHBondContact CG2-O 3.42Å; I14-A17 HydrophobicContact CG2-CB 4.37Å; I14-V32 HydrophobicContact CD1-CB 4.17Å; I14-V32 HydrophobicContact CD1-CG1 4.11Å; I14-V32 HydrophobicContact CD1-CG2 4.28Å; I14-V32 HydrophobicContact CG1-CB 4.29Å; I14-V32 HydrophobicContact CG1-CG2 4.4Å; I14-V32 HydrophobicContact CG2-CB 4.08Å; I14-V32 HydrophobicContact CG2-CG1 4.42Å; I14-R34 HydrophobicContact CG1-CG 4.29Å; I14-T337 PolarHBondContact O-OG1 3.49Å; I14-T337 VanDerWaalsContact O-OG1 3.05Å; I14-F348 HydrophobicContact CD1-CE1 4.37Å; I14-F348 HydrophobicContact CD1-CZ 4.04Å; I14-A350 HydrophobicContact CB-CB 3.99Å; I14-A350 HydrophobicContact CD1-CB 4.18Å; I14-A350 HydrophobicContact CG2-CB 3.7Å; I14-H356 WeakPolarHBondContact CG1-NE2 3.5Å | ||
| 15 | T | 96.3 | Very high | 95.9 | Very high | 62 Ų | 62 | 25 Ų | 25 | 38% | 0.38 | 14% | 0.139 | S | C | . | . | S | Bend | trans | -94.7 | -34.7 | 175.8 | 61.8 | 0 | 0 | 0 | 0 | 112.6 | S33 | T15-S33 PolarHBondContact N-O 3.11Å; T15-S33 PolarHBondContact OG1-O 2.97Å |
| 16 | H | 97.8 | Very high | 95.5 | Very high | 57 Ų | 57 | 34.8 Ų | 34.8 | 26% | 0.264 | 18% | 0.182 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 143.4 | 179.4 | -57.2 | 76.2 | 0 | 0 | 0 | 109.8 | I14 V32 S33 R63 L65 | I14-H16 WeakPolarHBondContact CG2-O 3.42Å; H16-V32 CarbonylContact O-C 3.52Å; H16-V32 WeakPolarHBondContact O-CA 3.37Å; H16-S33 PolarHBondContact O-N 3.23Å; H16-R63 PolarHBondContact CE1-O 2.86Å; H16-R63 PolarHBondContact NE2-O 3.2Å; H16-L65 HydrophobicContact CB-CB 3.97Å; H16-L65 HydrophobicContact CB-CD2 4.1Å |
| 17 | A | 98.1 | Very high | 95.3 | Very high | 13 Ų | 13 | 40.8 Ų | 40.8 | 11% | 0.107 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 132.8 | 172.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | I14 I30 V32 A338 F348 A350 | I14-A17 HydrophobicContact CG2-CB 4.37Å; A17-I30 HydrophobicContact CB-CG2 4.39Å; A17-V32 HydrophobicContact CB-CG1 3.91Å; A17-A338 HydrophobicContact CB-CB 3.89Å; A17-F348 HydrophobicContact CB-CE1 4.34Å; A17-A350 HydrophobicContact CB-CB 4.38Å |
| 18 | I | 98 | Very high | 95.3 | Very high | 19 Ų | 19 | 41.6 Ų | 41.6 | 10% | 0.097 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 148.3 | 174.9 | 60.7 | 172.3 | 0 | 0 | 0 | 108.9 | F22 I30 V31 L65 A67 I78 | I18-F22 HydrophobicContact CD1-CE1 4.35Å; I18-F22 HydrophobicContact CD1-CZ 3.91Å; I18-F22 HydrophobicContact CG1-CZ 3.99Å; I18-I30 CarbonylContact O-C 3.52Å; I18-I30 WeakPolarHBondContact O-CA 3.46Å; I18-I30 WeakPolarHBondContact O-CG2 3.49Å; I18-V31 HydrophobicContact CD1-CB 4.17Å; I18-V31 HydrophobicContact CG1-CB 3.81Å; I18-V31 HydrophobicContact CG1-CG1 4.46Å; I18-V31 WeakPolarHBondContact CG1-O 3.44Å; I18-V31 PolarHBondContact N-O 3.33Å; I18-V31 PolarHBondContact O-N 2.88Å; I18-L65 HydrophobicContact CD1-CD1 4.11Å; I18-L65 HydrophobicContact CD1-CD2 4.23Å; I18-L65 HydrophobicContact CD1-CG 3.82Å; I18-L65 HydrophobicContact CG1-CD2 4.12Å; I18-L65 HydrophobicContact CG1-CG 4.18Å; I18-L65 HydrophobicContact CG2-CG 4.33Å; I18-L65 WeakPolarHBondContact CG2-O 3.34Å; I18-A67 HydrophobicContact CD1-CB 3.71Å; I18-I78 HydrophobicContact CD1-CG2 4.18Å |
| 19 | H | 97.3 | Very high | 95.5 | Very high | 60 Ų | 60 | 40.8 Ų | 40.8 | 28% | 0.278 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 150.2 | 177.3 | 69.7 | 102.8 | 0 | 0 | 0 | 111.1 | E29 I30 C340 V341 | H19-E29 WeakPolarHBondContact CA-O 3.36Å; H19-I30 HydrophobicContact CB-CG1 4.43Å; H19-C340 HydrophobicContact CB-CB 4.05Å; H19-V341 PolarHBondContact CE1-O 2.98Å |
| 20 | G | 95.8 | Very high | 95.7 | Very high | 2 Ų | 2 | 38.8 Ų | 38.8 | 2% | 0.021 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -179.8 | 173.7 | -174.2 | 0 | 0 | 0 | 0 | 0 | 113 | F22 Q28 E29 D76 | G20-F22 VanDerWaalsContact C-N 3.32Å; G20-F22 VanDerWaalsContact N-CE2 3.29Å; G20-F22 PolarHBondContact O-N 2.82Å; G20-Q28 CarbonylContact O-C 3.58Å; G20-Q28 WeakPolarHBondContact O-CA 3.35Å; G20-E29 PolarHBondContact N-O 2.86Å; G20-E29 PolarHBondContact O-N 3.33Å; G20-D76 VanDerWaalsContact CA-OD2 3.24Å; G20-D76 WeakPolarHBondContact CA-OD2 3.37Å |
| 21 | N | 96.9 | Very high | 95.9 | Very high | 10 Ų | 10 | 34.2 Ų | 34.2 | 5% | 0.053 | 18% | 0.183 | C | C | . | . | trans | -87.8 | 70.8 | 170.4 | -61.4 | 117.6 | 0 | 0 | 0 | 109.2 | G24 T25 K26 M27 R69 D76 | N21-G24 PolarHBondContact O-N 2.85Å; N21-T25 WeakPolarHBondContact CB-O 3.48Å; N21-T25 PolarHBondContact ND2-O 3.27Å; N21-T25 VanDerWaalsContact ND2-O 3.08Å; N21-K26 PolarHBondContact ND2-O 3.2Å; N21-K26 VanDerWaalsContact ND2-O 3.16Å; N21-M27 PolarHBondContact ND2-O 2.82Å; N21-R69 PolarHBondContact OD1-NH2 2.85Å; N21-D76 PolarHBondContact N-OD2 2.98Å; N21-D76 PolarHBondContact O-N 2.85Å; N21-D76 VanDerWaalsContact O-N 3.1Å | ||
| 22 | F | 97.6 | Very high | 96 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.8 | -28.4 | -175.3 | -60.9 | -67.3 | 0 | 0 | 0 | 112.2 | I18 G20 G24 E29 V31 L40 A67 K75 D76 I78 | I18-F22 HydrophobicContact CD1-CE1 4.35Å; I18-F22 HydrophobicContact CD1-CZ 3.91Å; I18-F22 HydrophobicContact CG1-CZ 3.99Å; G20-F22 VanDerWaalsContact C-N 3.32Å; G20-F22 VanDerWaalsContact N-CE2 3.29Å; G20-F22 PolarHBondContact O-N 2.82Å; F22-G24 PolarHBondContact O-N 3.07Å; F22-E29 HydrophobicContact CD2-CB 4.07Å; F22-E29 WeakPolarHBondContact CE2-O 3.17Å; F22-E29 PolarHBondContact N-OE2 2.86Å; F22-V31 HydrophobicContact CD1-CG2 4.2Å; F22-V31 HydrophobicContact CD2-CG2 3.59Å; F22-V31 HydrophobicContact CE1-CG2 4.14Å; F22-V31 HydrophobicContact CE2-CB 4.16Å; F22-V31 HydrophobicContact CE2-CG2 3.5Å; F22-V31 HydrophobicContact CG-CG2 3.95Å; F22-V31 HydrophobicContact CZ-CB 4.31Å; F22-V31 HydrophobicContact CZ-CG2 3.8Å; F22-L40 HydrophobicContact CB-CD1 4.29Å; F22-L40 HydrophobicContact CD2-CD1 4.13Å; F22-L40 HydrophobicContact CG-CD1 4.48Å; F22-A67 HydrophobicContact CE1-CB 3.84Å; F22-A67 HydrophobicContact CZ-CB 3.89Å; F22-K75 WeakPolarHBondContact O-CE 3.49Å; F22-D76 HydrophobicContact CD1-CB 3.92Å; F22-D76 HydrophobicContact CE1-CB 3.9Å; F22-I78 HydrophobicContact CD1-CD1 4.03Å; F22-I78 HydrophobicContact CD1-CG1 3.73Å; F22-I78 HydrophobicContact CE1-CD1 4.23Å; F22-I78 HydrophobicContact CE1-CG1 3.55Å; F22-I78 HydrophobicContact CZ-CG1 4.46Å |
| 23 | S | 94.9 | Very high | 96.1 | Very high | 14 Ų | 14 | 33.6 Ų | 33.6 | 10% | 0.098 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77 | -6.4 | 172.5 | -57.6 | 0 | 0 | 0 | 0 | 113.7 | T25 E29 | S23-T25 PolarHBondContact O-N 3.05Å; S23-E29 WeakPolarHBondContact CB-OE1 3.37Å; S23-E29 PolarHBondContact N-OE2 2.95Å; S23-E29 VanDerWaalsContact N-OE2 3.07Å; S23-E29 PolarHBondContact OG-OE1 3.35Å |
| 24 | G | 92.9 | Very high | 96.2 | Very high | 29 Ų | 29 | 34.2 Ų | 34.2 | 30% | 0.299 | 18% | 0.179 | S | C | . | . | S | Bend | trans | 72.7 | 15.1 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | N21 F22 | N21-G24 PolarHBondContact O-N 2.85Å; F22-G24 PolarHBondContact O-N 3.07Å |
| 25 | T | 92.8 | Very high | 96 | Very high | 68 Ų | 68 | 35 Ų | 35 | 42% | 0.417 | 19% | 0.187 | S | C | . | . | S | Bend | trans | -102.6 | -179 | 174.5 | 76.5 | 0 | 0 | 0 | 0 | 110.7 | N21 S23 M27 | N21-T25 WeakPolarHBondContact CB-O 3.48Å; N21-T25 PolarHBondContact ND2-O 3.27Å; N21-T25 VanDerWaalsContact ND2-O 3.08Å; S23-T25 PolarHBondContact O-N 3.05Å; T25-M27 VanDerWaalsContact C-N 3.25Å; T25-M27 PolarHBondContact O-N 3.43Å; T25-M27 PolarHBondContact OG1-N 3.32Å |
| 26 | K | 90 | Very high | 95.9 | Very high | 207 Ų | 207 | 32.5 Ų | 32.5 | 90% | 0.9 | 17% | 0.172 | S | C | * | . | S | Bend | trans | -71.4 | -21.2 | 173.4 | -67.7 | -176.5 | 179.8 | 177.6 | 0 | 113.1 | N21 | N21-K26 PolarHBondContact ND2-O 3.2Å; N21-K26 VanDerWaalsContact ND2-O 3.16Å |
| 27 | M | 90.9 | Very high | 95.9 | Very high | 125 Ų | 125 | 29.8 Ų | 29.8 | 62% | 0.616 | 16% | 0.159 | S | C | * | . | S | Bend | trans | -69.5 | 143.3 | 179.1 | -60.3 | 179.2 | -170.7 | 0 | 0 | 109.9 | N21 T25 | N21-M27 PolarHBondContact ND2-O 2.82Å; T25-M27 VanDerWaalsContact C-N 3.25Å; T25-M27 PolarHBondContact O-N 3.43Å; T25-M27 PolarHBondContact OG1-N 3.32Å |
| 28 | Q | 94.9 | Very high | 95.9 | Very high | 27 Ų | 27 | 29.2 Ų | 29.2 | 13% | 0.126 | 15% | 0.154 | C | C | . | . | trans | -99.1 | 135.6 | 174.8 | -71.1 | -176.1 | -52.1 | 0 | 0 | 109.6 | G20 L342 | G20-Q28 CarbonylContact O-C 3.58Å; G20-Q28 WeakPolarHBondContact O-CA 3.35Å; Q28-L342 HydrophobicContact CB-CD2 4.02Å | ||
| 29 | E | 97.3 | Very high | 95.8 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 167 | 171.5 | -59 | 94.3 | 177.1 | 0 | 0 | 110 | H19 G20 F22 S23 L40 L41 R42 | H19-E29 WeakPolarHBondContact CA-O 3.36Å; G20-E29 PolarHBondContact N-O 2.86Å; G20-E29 PolarHBondContact O-N 3.33Å; F22-E29 HydrophobicContact CD2-CB 4.07Å; F22-E29 WeakPolarHBondContact CE2-O 3.17Å; F22-E29 PolarHBondContact N-OE2 2.86Å; S23-E29 WeakPolarHBondContact CB-OE1 3.37Å; S23-E29 PolarHBondContact N-OE2 2.95Å; S23-E29 VanDerWaalsContact N-OE2 3.07Å; S23-E29 PolarHBondContact OG-OE1 3.35Å; E29-L40 HydrophobicContact CB-CD1 3.75Å; E29-L40 HydrophobicContact CB-CG 4.48Å; E29-L41 WeakPolarHBondContact CB-O 3.31Å; E29-R42 IonicContact OE1-NH2 2.87Å |
| 30 | I | 98.3 | Very high | 95.8 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 122.6 | 179.9 | -50.5 | 175.1 | 0 | 0 | 0 | 107.8 | A17 I18 H19 V32 L41 P43 L342 F348 | A17-I30 HydrophobicContact CB-CG2 4.39Å; I18-I30 CarbonylContact O-C 3.52Å; I18-I30 WeakPolarHBondContact O-CA 3.46Å; I18-I30 WeakPolarHBondContact O-CG2 3.49Å; H19-I30 HydrophobicContact CB-CG1 4.43Å; I30-V32 HydrophobicContact CG2-CG1 3.72Å; I30-L41 HydrophobicContact CB-CB 4.29Å; I30-L41 PolarHBondContact N-O 2.99Å; I30-L41 PolarHBondContact O-N 2.79Å; I30-P43 HydrophobicContact CD1-CG 4.24Å; I30-P43 HydrophobicContact CG1-CG 4.48Å; I30-L342 HydrophobicContact CD1-CD1 4.28Å; I30-L342 HydrophobicContact CD1-CD2 4.35Å; I30-L342 HydrophobicContact CG1-CD2 4.22Å; I30-F348 HydrophobicContact CD1-CB 3.57Å; I30-F348 HydrophobicContact CD1-CD1 3.85Å; I30-F348 HydrophobicContact CD1-CD2 4.06Å; I30-F348 HydrophobicContact CD1-CG 3.55Å; I30-F348 HydrophobicContact CG2-CD1 4.15Å; I30-F348 HydrophobicContact CG2-CE1 4.27Å |
| 31 | V | 98.5 | Very high | 95.8 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 123.5 | 170.7 | 177 | 0 | 0 | 0 | 0 | 107.6 | I18 F22 L38 E39 L40 L65 I78 | I18-V31 HydrophobicContact CD1-CB 4.17Å; I18-V31 HydrophobicContact CG1-CB 3.81Å; I18-V31 HydrophobicContact CG1-CG1 4.46Å; I18-V31 WeakPolarHBondContact CG1-O 3.44Å; I18-V31 PolarHBondContact N-O 3.33Å; I18-V31 PolarHBondContact O-N 2.88Å; F22-V31 HydrophobicContact CD1-CG2 4.2Å; F22-V31 HydrophobicContact CD2-CG2 3.59Å; F22-V31 HydrophobicContact CE1-CG2 4.14Å; F22-V31 HydrophobicContact CE2-CB 4.16Å; F22-V31 HydrophobicContact CE2-CG2 3.5Å; F22-V31 HydrophobicContact CG-CG2 3.95Å; F22-V31 HydrophobicContact CZ-CB 4.31Å; F22-V31 HydrophobicContact CZ-CG2 3.8Å; V31-L38 HydrophobicContact CG1-CD1 3.66Å; V31-L38 HydrophobicContact CG1-CG 4.1Å; V31-E39 CarbonylContact C-O 3.42Å; V31-E39 WeakPolarHBondContact CA-O 3.23Å; V31-L40 HydrophobicContact CG2-CD1 3.5Å; V31-L65 HydrophobicContact CG1-CD2 4.23Å; V31-I78 HydrophobicContact CG1-CD1 4.25Å; V31-I78 HydrophobicContact CG2-CD1 3.73Å; V31-I78 HydrophobicContact CG2-CG1 4.35Å |
| 32 | V | 98.4 | Very high | 95.7 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 142.5 | 179.9 | -55.6 | 0 | 0 | 0 | 0 | 110.7 | I14 H16 A17 I30 E39 L41 F348 | I14-V32 HydrophobicContact CD1-CB 4.17Å; I14-V32 HydrophobicContact CD1-CG1 4.11Å; I14-V32 HydrophobicContact CD1-CG2 4.28Å; I14-V32 HydrophobicContact CG1-CB 4.29Å; I14-V32 HydrophobicContact CG1-CG2 4.4Å; I14-V32 HydrophobicContact CG2-CB 4.08Å; I14-V32 HydrophobicContact CG2-CG1 4.42Å; H16-V32 CarbonylContact O-C 3.52Å; H16-V32 WeakPolarHBondContact O-CA 3.37Å; A17-V32 HydrophobicContact CB-CG1 3.91Å; I30-V32 HydrophobicContact CG2-CG1 3.72Å; V32-E39 HydrophobicContact CG2-CB 3.8Å; V32-E39 HydrophobicContact CG2-CG 4.44Å; V32-E39 PolarHBondContact N-O 2.74Å; V32-E39 PolarHBondContact O-N 2.85Å; V32-L41 HydrophobicContact CG1-CD1 3.81Å; V32-L41 HydrophobicContact CG1-CG 4.46Å; V32-L41 HydrophobicContact CG2-CD1 3.95Å; V32-L41 HydrophobicContact CG2-CG 4.18Å; V32-F348 HydrophobicContact CG1-CE1 4.23Å |
| 33 | S | 98.1 | Very high | 95.5 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 129.1 | 170 | 175 | 0 | 0 | 0 | 0 | 109.7 | T15 H16 G35 V62 | T15-S33 PolarHBondContact N-O 3.11Å; T15-S33 PolarHBondContact OG1-O 2.97Å; H16-S33 PolarHBondContact O-N 3.23Å; S33-G35 PolarHBondContact OG-N 2.95Å; S33-V62 VanDerWaalsContact OG-CB 3.29Å; S33-V62 WeakPolarHBondContact OG-CB 3.37Å; S33-V62 WeakPolarHBondContact OG-CG1 3.47Å |
| 34 | R | 97.1 | Very high | 95.3 | Very high | 22 Ų | 22 | 31.7 Ų | 31.7 | 8% | 0.083 | 16% | 0.162 | C | C | . | . | trans | -105.8 | 33.8 | 173.5 | -53.4 | -167.5 | -167.9 | -99.6 | 7.1 | 112 | A11 T12 G13 I14 K36 I37 E39 | A11-R34 HydrophobicContact CB-CB 4.36Å; A11-R34 WeakPolarHBondContact O-CD 3.45Å; T12-R34 PolarHBondContact O-NH1 2.9Å; G13-R34 WeakPolarHBondContact O-CA 3.44Å; G13-R34 VanDerWaalsContact O-CB 3.23Å; G13-R34 WeakPolarHBondContact O-CB 3.5Å; G13-R34 WeakPolarHBondContact O-CG 3.26Å; I14-R34 HydrophobicContact CG1-CG 4.29Å; R34-K36 PolarHBondContact O-N 3.41Å; R34-K36 VanDerWaalsContact O-N 3.15Å; R34-I37 HydrophobicContact CB-CB 4.34Å; R34-I37 PolarHBondContact N-O 2.86Å; R34-E39 IonicContact CZ-OE2 2.73Å; R34-E39 VanDerWaalsContact CZ-OE2 3.23Å; R34-E39 IonicContact NE-OE2 2.82Å; R34-E39 PolarHBondContact NE-OE2 3.3Å; R34-E39 IonicContact NH2-OE1 2.71Å; R34-E39 PolarHBondContact NH2-OE1 3.41Å; R34-E39 IonicContact NH2-OE2 2.61Å; R34-E39 PolarHBondContact NH2-OE2 2.84Å | ||
| 35 | G | 93.6 | Very high | 95 | Very high | 19 Ų | 19 | 32.7 Ų | 32.7 | 20% | 0.196 | 17% | 0.168 | C | C | . | . | S | Bend | trans | 84.4 | -77.2 | -173.7 | 0 | 0 | 0 | 0 | 0 | 112 | S33 V62 | S33-G35 PolarHBondContact OG-N 2.95Å; G35-V62 WeakPolarHBondContact O-CB 3.03Å; G35-V62 WeakPolarHBondContact O-CG2 3.24Å; G35-V62 PolarHBondContact O-N 2.78Å |
| 36 | K | 94.7 | Very high | 94.7 | Very high | 11 Ų | 11 | 36.8 Ų | 36.8 | 5% | 0.048 | 19% | 0.187 | C | C | . | . | S | Bend | trans | -101.4 | -2.3 | -178.3 | 81.7 | -175.6 | -168 | -148.4 | 0 | 115.2 | R34 V58 G60 E1099 | R34-K36 PolarHBondContact O-N 3.41Å; R34-K36 VanDerWaalsContact O-N 3.15Å; K36-V58 WeakPolarHBondContact O-CG2 3.4Å; K36-V58 PolarHBondContact O-N 3.33Å; K36-G60 WeakPolarHBondContact CA-O 3.21Å; K36-E1099 HydrophobicContact CD-CG 4.4Å; K36-E1099 WeakPolarHBondContact CD-OE1 3.1Å; K36-E1099 WeakPolarHBondContact CE-OE1 3.07Å; K36-E1099 IonicContact NZ-OE1 2.99Å; K36-E1099 PolarHBondContact NZ-OE1 2.93Å; K36-E1099 IonicContact NZ-OE2 3.43Å |
| 37 | I | 97.5 | Very high | 94.5 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 136.9 | -179.7 | -65.8 | 152.1 | 0 | 0 | 0 | 108.8 | R10 A11 R34 M56 E57 | R10-I37 HydrophobicContact CB-CD1 3.69Å; R10-I37 HydrophobicContact CG-CD1 3.95Å; A11-I37 HydrophobicContact CB-CD1 4.2Å; R34-I37 HydrophobicContact CB-CB 4.34Å; R34-I37 PolarHBondContact N-O 2.86Å; I37-M56 WeakPolarHBondContact CA-O 3.45Å; I37-E57 HydrophobicContact CG1-CG 3.76Å |
| 38 | L | 97.8 | Very high | 94.3 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 130.6 | 168.6 | -167.1 | 68.4 | 0 | 0 | 0 | 108.9 | V31 M56 V58 L65 L90 F99 L1155 | V31-L38 HydrophobicContact CG1-CD1 3.66Å; V31-L38 HydrophobicContact CG1-CG 4.1Å; L38-M56 PolarHBondContact N-O 2.9Å; L38-M56 PolarHBondContact O-N 3.17Å; L38-V58 HydrophobicContact CB-CG1 3.83Å; L38-L65 HydrophobicContact CD1-CD1 4.13Å; L38-L65 HydrophobicContact CD1-CD2 4.27Å; L38-L90 HydrophobicContact CD2-CD1 3.73Å; L38-F99 HydrophobicContact CB-CE2 4.48Å; L38-F99 HydrophobicContact CD2-CD2 4.16Å; L38-F99 HydrophobicContact CD2-CE2 3.91Å; L38-F99 HydrophobicContact CD2-CZ 4.12Å; L38-F99 HydrophobicContact CG-CE2 4.07Å; L38-F99 HydrophobicContact CG-CZ 4.29Å; L38-L1155 HydrophobicContact CD2-CD2 4.09Å |
| 39 | E | 96.9 | Very high | 93.9 | Very high | 14 Ų | 14 | 27.8 Ų | 27.8 | 7% | 0.065 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 141.6 | -174.1 | -170.6 | 176.4 | 164 | 0 | 0 | 111.1 | V31 V32 R34 L41 T52 L54 | V31-E39 CarbonylContact C-O 3.42Å; V31-E39 WeakPolarHBondContact CA-O 3.23Å; V32-E39 HydrophobicContact CG2-CB 3.8Å; V32-E39 HydrophobicContact CG2-CG 4.44Å; V32-E39 PolarHBondContact N-O 2.74Å; V32-E39 PolarHBondContact O-N 2.85Å; R34-E39 IonicContact CZ-OE2 2.73Å; R34-E39 VanDerWaalsContact CZ-OE2 3.23Å; R34-E39 IonicContact NE-OE2 2.82Å; R34-E39 PolarHBondContact NE-OE2 3.3Å; R34-E39 IonicContact NH2-OE1 2.71Å; R34-E39 PolarHBondContact NH2-OE1 3.41Å; R34-E39 IonicContact NH2-OE2 2.61Å; R34-E39 PolarHBondContact NH2-OE2 2.84Å; E39-L41 HydrophobicContact CG-CD2 3.87Å; E39-L41 VanDerWaalsContact OE1-CD2 3.25Å; E39-L41 WeakPolarHBondContact OE1-CD2 3.41Å; E39-T52 HydrophobicContact CG-CG2 3.66Å; E39-T52 WeakPolarHBondContact OE1-CB 3.44Å; E39-T52 WeakPolarHBondContact OE1-CG2 3.43Å; E39-T52 PolarHBondContact OE1-OG1 3.32Å; E39-L54 CarbonylContact C-O 3.49Å; E39-L54 VanDerWaalsContact CA-O 3.29Å; E39-L54 WeakPolarHBondContact CA-O 3.37Å; E39-L54 WeakPolarHBondContact CG-O 3.25Å |
| 40 | L | 97.3 | Very high | 93.6 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 119.2 | 175.2 | -177.9 | 70.7 | 0 | 0 | 0 | 109.3 | F22 E29 V31 L53 L54 Y92 F99 | F22-L40 HydrophobicContact CB-CD1 4.29Å; F22-L40 HydrophobicContact CD2-CD1 4.13Å; F22-L40 HydrophobicContact CG-CD1 4.48Å; E29-L40 HydrophobicContact CB-CD1 3.75Å; E29-L40 HydrophobicContact CB-CG 4.48Å; V31-L40 HydrophobicContact CG2-CD1 3.5Å; L40-L53 HydrophobicContact CD2-CB 4.32Å; L40-L53 HydrophobicContact CD2-CD1 4.02Å; L40-L53 HydrophobicContact CG-CB 4.48Å; L40-L53 HydrophobicContact CG-CD1 4.34Å; L40-L53 PolarHBondContact O-N 3.16Å; L40-L54 HydrophobicContact CB-CB 4.21Å; L40-L54 PolarHBondContact N-O 3.14Å; L40-L54 PolarHBondContact O-N 3.36Å; L40-Y92 HydrophobicContact CD2-CD1 3.53Å; L40-Y92 HydrophobicContact CD2-CD2 3.67Å; L40-Y92 HydrophobicContact CD2-CE1 3.38Å; L40-Y92 HydrophobicContact CD2-CE2 3.52Å; L40-Y92 HydrophobicContact CD2-CG 3.67Å; L40-F99 HydrophobicContact CB-CZ 4.07Å |
| 41 | L | 95.8 | Very high | 93.2 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 143 | 179.3 | -51.4 | 178.8 | 0 | 0 | 0 | 110.2 | E29 I30 V32 E39 V50 H51 T52 F348 | E29-L41 WeakPolarHBondContact CB-O 3.31Å; I30-L41 HydrophobicContact CB-CB 4.29Å; I30-L41 PolarHBondContact N-O 2.99Å; I30-L41 PolarHBondContact O-N 2.79Å; V32-L41 HydrophobicContact CG1-CD1 3.81Å; V32-L41 HydrophobicContact CG1-CG 4.46Å; V32-L41 HydrophobicContact CG2-CD1 3.95Å; V32-L41 HydrophobicContact CG2-CG 4.18Å; E39-L41 HydrophobicContact CG-CD2 3.87Å; E39-L41 VanDerWaalsContact OE1-CD2 3.25Å; E39-L41 WeakPolarHBondContact OE1-CD2 3.41Å; L41-V50 HydrophobicContact CB-CG1 3.83Å; L41-V50 HydrophobicContact CD1-CG1 4.19Å; L41-V50 HydrophobicContact CG-CG1 4.42Å; L41-H51 CarbonylContact C-O 3.54Å; L41-H51 WeakPolarHBondContact CA-O 3.48Å; L41-T52 HydrophobicContact CD2-CG2 4.38Å; L41-T52 WeakPolarHBondContact CD2-OG1 3.5Å; L41-F348 HydrophobicContact CD1-CZ 4.11Å |
| 42 | R | 94.1 | Very high | 92.8 | Very high | 82 Ų | 82 | 35.4 Ų | 35.4 | 31% | 0.309 | 19% | 0.192 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 110.9 | 171 | 178.9 | 177.9 | -70.2 | 163 | 2.9 | 109.5 | E29 D44 H51 L53 | E29-R42 IonicContact OE1-NH2 2.87Å; R42-D44 PolarHBondContact O-N 3.33Å; R42-H51 PolarHBondContact N-O 2.74Å; R42-H51 PolarHBondContact O-N 2.77Å; R42-L53 HydrophobicContact CB-CD1 3.83Å; R42-L53 HydrophobicContact CB-CD2 4.2Å; R42-L53 HydrophobicContact CB-CG 3.91Å |
| 43 | P | 94.2 | Very high | 92.4 | Very high | 17 Ų | 17 | 36.9 Ų | 36.9 | 11% | 0.11 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 121.9 | 165.2 | 29.3 | -29.8 | 0 | 0 | 0 | 109 | I30 V50 L342 L358 | I30-P43 HydrophobicContact CD1-CG 4.24Å; I30-P43 HydrophobicContact CG1-CG 4.48Å; P43-V50 HydrophobicContact CB-CG2 4.39Å; P43-L342 HydrophobicContact CG-CD1 4.47Å; P43-L342 HydrophobicContact CG-CD2 3.71Å; P43-L358 HydrophobicContact CB-CD2 4.22Å |
| 44 | D | 89.4 | Confident | 92.1 | Very high | 45 Ų | 45 | 37.7 Ų | 37.7 | 24% | 0.241 | 20% | 0.204 | C | C | . | . | trans | -83.6 | 121.4 | 172.4 | 179.1 | 11.6 | 0 | 0 | 0 | 109.7 | R42 N46 T47 G48 K49 | R42-D44 PolarHBondContact O-N 3.33Å; D44-N46 VanDerWaalsContact C-N 3.26Å; D44-N46 PolarHBondContact O-N 2.66Å; D44-N46 PolarHBondContact OD1-N 3.13Å; D44-T47 WeakPolarHBondContact CB-OG1 3.23Å; D44-T47 VanDerWaalsContact CG-OG1 3.3Å; D44-T47 VanDerWaalsContact OD2-CG2 3.31Å; D44-T47 WeakPolarHBondContact OD2-CG2 3.36Å; D44-T47 PolarHBondContact OD2-N 3.13Å; D44-T47 PolarHBondContact OD2-OG1 2.65Å; D44-G48 WeakPolarHBondContact O-CA 3.48Å; D44-G48 PolarHBondContact O-N 2.93Å; D44-K49 PolarHBondContact N-O 2.84Å | ||
| 45 | A | 87.8 | Confident | 91.9 | Very high | 50 Ų | 50 | 38.8 Ų | 38.8 | 41% | 0.413 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.6 | -19.2 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | T344 F346 | A45-T344 HydrophobicContact CB-CG2 4.3Å; A45-F346 HydrophobicContact CB-CE2 4.13Å |
| 46 | N | 86.6 | Confident | 91.9 | Very high | 153 Ų | 153 | 39 Ų | 39 | 82% | 0.818 | 21% | 0.209 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.2 | -51.4 | -178.5 | -62.2 | -35.4 | 0 | 0 | 0 | 111.5 | D44 | D44-N46 VanDerWaalsContact C-N 3.26Å; D44-N46 PolarHBondContact O-N 2.66Å; D44-N46 PolarHBondContact OD1-N 3.13Å |
| 47 | T | 85.3 | Confident | 92 | Very high | 82 Ų | 82 | 38.7 Ų | 38.7 | 50% | 0.503 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.7 | -20.5 | 179.7 | 59.6 | 0 | 0 | 0 | 0 | 112.7 | D44 K49 | D44-T47 WeakPolarHBondContact CB-OG1 3.23Å; D44-T47 VanDerWaalsContact CG-OG1 3.3Å; D44-T47 VanDerWaalsContact OD2-CG2 3.31Å; D44-T47 WeakPolarHBondContact OD2-CG2 3.36Å; D44-T47 PolarHBondContact OD2-N 3.13Å; D44-T47 PolarHBondContact OD2-OG1 2.65Å; T47-K49 PolarHBondContact O-N 2.77Å; T47-K49 PolarHBondContact OG1-N 2.97Å |
| 48 | G | 85.9 | Confident | 92 | Very high | 3 Ų | 3 | 38.7 Ų | 38.7 | 3% | 0.031 | 21% | 0.208 | C | C | . | . | trans | 75.4 | 7.8 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | D44 L358 V398 | D44-G48 WeakPolarHBondContact O-CA 3.48Å; D44-G48 PolarHBondContact O-N 2.93Å; G48-L358 WeakPolarHBondContact O-CD2 3.33Å; G48-V398 VanDerWaalsContact CA-CG1 3.42Å; G48-V398 VanDerWaalsContact O-CG1 3.26Å; G48-V398 WeakPolarHBondContact O-CG1 3.46Å | ||
| 49 | K | 87.8 | Confident | 91.9 | Very high | 85 Ų | 85 | 38.8 Ų | 38.8 | 37% | 0.37 | 21% | 0.208 | S | C | . | . | trans | -93.8 | 149.1 | -176.9 | -65.4 | -64.5 | 177.8 | -179.4 | 0 | 112.7 | D44 T47 D399 | D44-K49 PolarHBondContact N-O 2.84Å; T47-K49 PolarHBondContact O-N 2.77Å; T47-K49 PolarHBondContact OG1-N 2.97Å; K49-D399 HydrophobicContact CD-CB 4.37Å; K49-D399 WeakPolarHBondContact CD-OD1 3.25Å; K49-D399 IonicContact NZ-OD1 3.71Å; K49-D399 PolarHBondContact NZ-OD1 2.96Å | ||
| 50 | V | 90.8 | Very high | 91.9 | Very high | 15 Ų | 15 | 38.1 Ų | 38.1 | 9% | 0.091 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 116 | 175.9 | -173.7 | 0 | 0 | 0 | 0 | 110.7 | L41 P43 L358 D399 Q401 | L41-V50 HydrophobicContact CB-CG1 3.83Å; L41-V50 HydrophobicContact CD1-CG1 4.19Å; L41-V50 HydrophobicContact CG-CG1 4.42Å; P43-V50 HydrophobicContact CB-CG2 4.39Å; V50-L358 HydrophobicContact CG2-CB 4.07Å; V50-L358 HydrophobicContact CG2-CD1 4.44Å; V50-L358 HydrophobicContact CG2-CD2 3.72Å; V50-L358 HydrophobicContact CG2-CG 4.29Å; V50-D399 PolarHBondContact N-OD2 3.07Å; V50-Q401 HydrophobicContact CB-CG 4.4Å; V50-Q401 VanDerWaalsContact CB-NE2 3.31Å |
| 51 | H | 88.8 | Confident | 92 | Very high | 97 Ų | 97 | 40.5 Ų | 40.5 | 45% | 0.449 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 131.5 | 178.1 | -60.3 | -73 | 0 | 0 | 0 | 112 | L41 R42 L53 | L41-H51 CarbonylContact C-O 3.54Å; L41-H51 WeakPolarHBondContact CA-O 3.48Å; R42-H51 PolarHBondContact N-O 2.74Å; R42-H51 PolarHBondContact O-N 2.77Å; H51-L53 PolarHBondContact O-N 2.76Å |
| 52 | T | 90.2 | Very high | 92.1 | Very high | 49 Ų | 49 | 40.8 Ų | 40.8 | 30% | 0.301 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 113.8 | 169.2 | -61 | 0 | 0 | 0 | 0 | 110.2 | E39 L41 T55 | E39-T52 HydrophobicContact CG-CG2 3.66Å; E39-T52 WeakPolarHBondContact OE1-CB 3.44Å; E39-T52 WeakPolarHBondContact OE1-CG2 3.43Å; E39-T52 PolarHBondContact OE1-OG1 3.32Å; L41-T52 HydrophobicContact CD2-CG2 4.38Å; L41-T52 WeakPolarHBondContact CD2-OG1 3.5Å; T52-T55 HydrophobicContact CG2-CG2 4.45Å |
| 53 | L | 90 | Very high | 92.2 | Very high | 30 Ų | 30 | 37.7 Ų | 37.7 | 16% | 0.157 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | -46 | 178.1 | -63.1 | -177 | 0 | 0 | 0 | 112.3 | L40 R42 H51 N97 Q726 | L40-L53 HydrophobicContact CD2-CB 4.32Å; L40-L53 HydrophobicContact CD2-CD1 4.02Å; L40-L53 HydrophobicContact CG-CB 4.48Å; L40-L53 HydrophobicContact CG-CD1 4.34Å; L40-L53 PolarHBondContact O-N 3.16Å; R42-L53 HydrophobicContact CB-CD1 3.83Å; R42-L53 HydrophobicContact CB-CD2 4.2Å; R42-L53 HydrophobicContact CB-CG 3.91Å; H51-L53 PolarHBondContact O-N 2.76Å; L53-N97 PolarHBondContact O-ND2 3.48Å; L53-Q726 PolarHBondContact O-NE2 2.75Å |
| 54 | L | 91.9 | Very high | 92.4 | Very high | 17 Ų | 17 | 37.2 Ų | 37.2 | 9% | 0.089 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 137.5 | -174.6 | 176.3 | 60.7 | 0 | 0 | 0 | 109.8 | E39 L40 Y92 N97 F99 | E39-L54 CarbonylContact C-O 3.49Å; E39-L54 VanDerWaalsContact CA-O 3.29Å; E39-L54 WeakPolarHBondContact CA-O 3.37Å; E39-L54 WeakPolarHBondContact CG-O 3.25Å; L40-L54 HydrophobicContact CB-CB 4.21Å; L40-L54 PolarHBondContact N-O 3.14Å; L40-L54 PolarHBondContact O-N 3.36Å; L54-Y92 HydrophobicContact CB-CE2 4.41Å; L54-Y92 HydrophobicContact CD2-CD2 4.05Å; L54-Y92 HydrophobicContact CD2-CE2 3.92Å; L54-N97 VanDerWaalsContact CD1-O 3.29Å; L54-N97 WeakPolarHBondContact CD1-O 3.48Å; L54-F99 HydrophobicContact CD2-CD2 3.52Å; L54-F99 HydrophobicContact CD2-CE2 3.57Å; L54-F99 HydrophobicContact CD2-CG 4.04Å; L54-F99 HydrophobicContact CD2-CZ 4.11Å; L54-F99 HydrophobicContact CG-CD2 4.36Å; L54-F99 HydrophobicContact CG-CE2 4.1Å |
| 55 | T | 93.5 | Very high | 92.8 | Very high | 45 Ų | 45 | 35.3 Ų | 35.3 | 28% | 0.276 | 19% | 0.194 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 121.1 | 174.1 | 174.8 | 0 | 0 | 0 | 0 | 109.6 | R10 T52 | R10-T55 PolarHBondContact NH1-O 3.16Å; R10-T55 PolarHBondContact NH1-OG1 3.45Å; T52-T55 HydrophobicContact CG2-CG2 4.45Å |
| 56 | M | 94.3 | Very high | 93.3 | Very high | 24 Ų | 24 | 36.1 Ų | 36.1 | 12% | 0.118 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 131 | -175 | -177 | 170.2 | -95.2 | 0 | 0 | 111 | I37 L38 F1152 L1155 | I37-M56 WeakPolarHBondContact CA-O 3.45Å; L38-M56 PolarHBondContact N-O 2.9Å; L38-M56 PolarHBondContact O-N 3.17Å; M56-F1152 HydrophobicContact CE-CE1 4.27Å; M56-F1152 HydrophobicContact CE-CZ 3.89Å; M56-L1155 HydrophobicContact SD-CB 4.48Å; M56-L1155 HydrophobicContact SD-CD1 4.3Å; M56-L1155 HydrophobicContact SD-CD2 3.88Å; M56-L1155 HydrophobicContact SD-CG 4.46Å |
| 57 | E | 95.9 | Very high | 93.9 | Very high | 5 Ų | 5 | 30 Ų | 30 | 2% | 0.023 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 129.2 | 170.8 | -78.4 | -164 | -174.6 | 0 | 0 | 110.6 | I37 F59 D1177 Q1181 | I37-E57 HydrophobicContact CG1-CG 3.76Å; E57-F59 HydrophobicContact CB-CE1 4.08Å; E57-F59 HydrophobicContact CB-CE2 4.27Å; E57-F59 HydrophobicContact CB-CZ 3.94Å; E57-F59 WeakPolarHBondContact OE2-CE1 3.44Å; E57-D1177 WeakPolarHBondContact OE2-CB 3.34Å; E57-Q1181 PolarHBondContact O-NE2 3.41Å |
| 58 | V | 96.9 | Very high | 94.4 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 14% | 0.139 | C | C | . | . | trans | -98.7 | -3.6 | -177.4 | -48.4 | 0 | 0 | 0 | 0 | 113.3 | K36 L38 G60 V62 P1154 L1155 C1156 | K36-V58 WeakPolarHBondContact O-CG2 3.4Å; K36-V58 PolarHBondContact O-N 3.33Å; L38-V58 HydrophobicContact CB-CG1 3.83Å; V58-G60 VanDerWaalsContact C-N 3.25Å; V58-G60 PolarHBondContact O-N 2.88Å; V58-V62 HydrophobicContact CG2-CG2 3.95Å; V58-P1154 VanDerWaalsContact O-CB 3.32Å; V58-P1154 WeakPolarHBondContact O-CB 3.31Å; V58-L1155 HydrophobicContact CB-CB 4.24Å; V58-L1155 HydrophobicContact CG1-CB 4.1Å; V58-L1155 HydrophobicContact CG1-CD2 4.08Å; V58-C1156 HydrophobicContact CB-CB 4.39Å; V58-C1156 HydrophobicContact CG2-CB 4.46Å | ||
| 59 | F | 97.6 | Very high | 94.9 | Very high | 2 Ų | 2 | 30.3 Ų | 30.3 | 1% | 0.009 | 15% | 0.152 | C | C | . | . | S | Bend | trans | 43.7 | 48.1 | -177.1 | -53.3 | -70.6 | 0 | 0 | 0 | 113.8 | E57 P1154 R1158 H1160 F1163 D1175 D1177 L1178 Q1181 | E57-F59 HydrophobicContact CB-CE1 4.08Å; E57-F59 HydrophobicContact CB-CE2 4.27Å; E57-F59 HydrophobicContact CB-CZ 3.94Å; E57-F59 WeakPolarHBondContact OE2-CE1 3.44Å; F59-P1154 HydrophobicContact CB-CB 4.04Å; F59-P1154 HydrophobicContact CB-CG 3.96Å; F59-P1154 HydrophobicContact CD2-CB 4.19Å; F59-P1154 HydrophobicContact CD2-CG 4.03Å; F59-P1154 HydrophobicContact CG-CG 4.45Å; F59-R1158 WeakPolarHBondContact O-CB 3.3Å; F59-R1158 VanDerWaalsContact O-CG 3.25Å; F59-R1158 WeakPolarHBondContact O-CG 3.48Å; F59-H1160 AromaticContact CD1-CD2 3.97Å; F59-H1160 AromaticContact CG-CD2 3.86Å; F59-F1163 HydrophobicContact CB-CD1 4.13Å; F59-F1163 HydrophobicContact CB-CE1 4.49Å; F59-F1163 WeakPolarHBondContact O-CB 3.29Å; F59-F1163 VanDerWaalsContact O-CG 3.23Å; F59-F1163 WeakPolarHBondContact O-CG 3.42Å; F59-D1175 WeakPolarHBondContact CE1-OD2 3.29Å; F59-D1177 HydrophobicContact CE1-CB 4.21Å; F59-D1177 HydrophobicContact CZ-CB 4.49Å; F59-L1178 HydrophobicContact CD2-CD1 4.26Å; F59-L1178 HydrophobicContact CE1-CB 4.28Å; F59-L1178 HydrophobicContact CE2-CB 4.14Å; F59-L1178 HydrophobicContact CE2-CD1 3.57Å; F59-L1178 HydrophobicContact CE2-CG 4.45Å; F59-L1178 HydrophobicContact CZ-CB 3.74Å; F59-L1178 HydrophobicContact CZ-CD1 4.07Å; F59-Q1181 VanDerWaalsContact CE2-NE2 3.26Å |
| 60 | G | 96.6 | Very high | 95.2 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 14% | 0.139 | C | C | . | . | S | Bend | trans | -167.8 | 177.2 | -179.7 | 0 | 0 | 0 | 0 | 0 | 110 | K36 V58 D83 | K36-G60 WeakPolarHBondContact CA-O 3.21Å; V58-G60 VanDerWaalsContact C-N 3.25Å; V58-G60 PolarHBondContact O-N 2.88Å; G60-D83 WeakPolarHBondContact CA-OD1 3.14Å |
| 61 | I | 97.8 | Very high | 95.2 | Very high | 50 Ų | 50 | 29.6 Ų | 29.6 | 26% | 0.256 | 15% | 0.154 | S | C | . | . | trans | -102.8 | 111 | -180 | -56 | 172.4 | 0 | 0 | 0 | 107.8 | R63 S82 D83 F1163 Y1166 | I61-R63 HydrophobicContact CG2-CG 4.23Å; I61-R63 PolarHBondContact O-N 3.15Å; I61-S82 CarbonylContact O-C 3.57Å; I61-S82 VanDerWaalsContact O-CA 3.23Å; I61-S82 WeakPolarHBondContact O-CA 3.23Å; I61-S82 WeakPolarHBondContact O-CB 3.37Å; I61-D83 HydrophobicContact CB-CB 4.22Å; I61-D83 PolarHBondContact N-OD1 2.78Å; I61-D83 PolarHBondContact O-N 2.86Å; I61-D83 VanDerWaalsContact O-N 3.15Å; I61-F1163 HydrophobicContact CG1-CE2 4.34Å; I61-Y1166 HydrophobicContact CD1-CE2 4.28Å | ||
| 62 | V | 98.1 | Very high | 95.2 | Very high | 5 Ų | 5 | 28.4 Ų | 28.4 | 3% | 0.03 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 119.3 | 171 | 177.5 | 0 | 0 | 0 | 0 | 108.5 | S33 G35 V58 L65 V80 | S33-V62 VanDerWaalsContact OG-CB 3.29Å; S33-V62 WeakPolarHBondContact OG-CB 3.37Å; S33-V62 WeakPolarHBondContact OG-CG1 3.47Å; G35-V62 WeakPolarHBondContact O-CB 3.03Å; G35-V62 WeakPolarHBondContact O-CG2 3.24Å; G35-V62 PolarHBondContact O-N 2.78Å; V58-V62 HydrophobicContact CG2-CG2 3.95Å; V62-L65 HydrophobicContact CG1-CB 4.4Å; V62-V80 HydrophobicContact CB-CG1 4.48Å; V62-V80 HydrophobicContact CG1-CG1 3.85Å; V62-V80 HydrophobicContact CG2-CG1 4.06Å |
| 63 | R | 97.6 | Very high | 95.3 | Very high | 18 Ų | 18 | 27.5 Ų | 27.5 | 7% | 0.068 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | -26.7 | -176 | -65.4 | 174.7 | 72.1 | -175 | 9.2 | 112.5 | H16 I61 G81 G118 | H16-R63 PolarHBondContact CE1-O 2.86Å; H16-R63 PolarHBondContact NE2-O 3.2Å; I61-R63 HydrophobicContact CG2-CG 4.23Å; I61-R63 PolarHBondContact O-N 3.15Å; R63-G81 PolarHBondContact N-O 3.43Å; R63-G118 VanDerWaalsContact CB-O 3.23Å; R63-G118 WeakPolarHBondContact CB-O 3.42Å |
| 64 | S | 97.9 | Very high | 95.4 | Very high | 7 Ų | 7 | 31.1 Ų | 31.1 | 5% | 0.049 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.4 | 143.3 | 176.8 | 51.6 | 0 | 0 | 0 | 0 | 110.2 | G81 G118 L121 | S64-G81 PolarHBondContact N-O 2.93Å; S64-G81 PolarHBondContact O-N 3.34Å; S64-G81 WeakPolarHBondContact OG-CA 3.31Å; S64-G118 PolarHBondContact OG-O 3.43Å; S64-L121 WeakPolarHBondContact OG-CB 3.47Å |
| 65 | L | 98.3 | Very high | 95.6 | Very high | 5 Ų | 5 | 31.8 Ų | 31.8 | 3% | 0.026 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 118.5 | -174.1 | 178.9 | 67.6 | 0 | 0 | 0 | 108.8 | H16 I18 V31 L38 V62 I78 V80 | H16-L65 HydrophobicContact CB-CB 3.97Å; H16-L65 HydrophobicContact CB-CD2 4.1Å; I18-L65 HydrophobicContact CD1-CD1 4.11Å; I18-L65 HydrophobicContact CD1-CD2 4.23Å; I18-L65 HydrophobicContact CD1-CG 3.82Å; I18-L65 HydrophobicContact CG1-CD2 4.12Å; I18-L65 HydrophobicContact CG1-CG 4.18Å; I18-L65 HydrophobicContact CG2-CG 4.33Å; I18-L65 WeakPolarHBondContact CG2-O 3.34Å; V31-L65 HydrophobicContact CG1-CD2 4.23Å; L38-L65 HydrophobicContact CD1-CD1 4.13Å; L38-L65 HydrophobicContact CD1-CD2 4.27Å; V62-L65 HydrophobicContact CG1-CB 4.4Å; L65-I78 HydrophobicContact CD1-CG2 3.49Å; L65-I78 VanDerWaalsContact CD1-CG2 3.49Å; L65-V80 HydrophobicContact CD1-CG2 3.91Å |
| 66 | M | 98.1 | Very high | 95.8 | Very high | 67 Ų | 67 | 30.3 Ų | 30.3 | 33% | 0.33 | 19% | 0.185 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 147 | -179.5 | -68.8 | -63.2 | -73.7 | 0 | 0 | 110.8 | V79 L121 V123 | M66-V79 PolarHBondContact N-O 2.7Å; M66-V79 VanDerWaalsContact N-O 3.07Å; M66-V79 PolarHBondContact O-N 3.25Å; M66-L121 HydrophobicContact CB-CD2 3.82Å; M66-L121 HydrophobicContact CB-CG 4.2Å; M66-L121 HydrophobicContact CG-CB 4.09Å; M66-L121 HydrophobicContact CG-CD2 3.86Å; M66-L121 HydrophobicContact CG-CG 3.91Å; M66-L121 WeakPolarHBondContact CG-O 3.46Å; M66-V123 HydrophobicContact CE-CG1 4.21Å |
| 67 | A | 97.8 | Very high | 96 | Very high | 25 Ų | 25 | 30.4 Ų | 30.4 | 21% | 0.207 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 149.7 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | I18 F22 Y77 | I18-A67 HydrophobicContact CD1-CB 3.71Å; F22-A67 HydrophobicContact CE1-CB 3.84Å; F22-A67 HydrophobicContact CZ-CB 3.89Å; A67-Y77 VanDerWaalsContact CA-O 3.29Å; A67-Y77 WeakPolarHBondContact CA-O 3.35Å |
| 68 | F | 97.1 | Very high | 96.1 | Very high | 9 Ų | 9 | 30.1 Ų | 30.1 | 4% | 0.039 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 158.8 | 170.7 | 77 | -79.6 | 0 | 0 | 0 | 112.3 | L70 D76 Y77 V79 I89 V123 L144 L152 | F68-L70 HydrophobicContact CE2-CD2 4Å; F68-L70 HydrophobicContact CE2-CG 4.2Å; F68-D76 WeakPolarHBondContact O-CA 3.31Å; F68-Y77 VanDerWaalsContact CE1-CB 3.45Å; F68-Y77 HydrophobicContact CE1-CG 4.35Å; F68-Y77 HydrophobicContact CE2-CD2 4.24Å; F68-Y77 HydrophobicContact CZ-CD2 4.14Å; F68-Y77 HydrophobicContact CZ-CG 4.07Å; F68-Y77 PolarHBondContact N-O 2.59Å; F68-Y77 PolarHBondContact O-N 3.14Å; F68-V79 HydrophobicContact CD1-CG2 3.47Å; F68-V79 VanDerWaalsContact CD1-CG2 3.47Å; F68-V79 HydrophobicContact CE1-CG2 3.36Å; F68-I89 HydrophobicContact CE1-CD1 4.46Å; F68-I89 HydrophobicContact CE1-CG2 3.92Å; F68-I89 HydrophobicContact CZ-CD1 4.44Å; F68-I89 HydrophobicContact CZ-CG2 4.18Å; F68-V123 HydrophobicContact CB-CB 4.4Å; F68-V123 HydrophobicContact CB-CG1 4.12Å; F68-V123 HydrophobicContact CB-CG2 3.53Å; F68-V123 HydrophobicContact CD1-CG2 4.49Å; F68-V123 HydrophobicContact CG-CG2 4.01Å; F68-L144 HydrophobicContact CD2-CD1 3.93Å; F68-L144 HydrophobicContact CE1-CD1 4.16Å; F68-L144 HydrophobicContact CE2-CD1 3.56Å; F68-L144 HydrophobicContact CG-CD1 4.4Å; F68-L144 HydrophobicContact CZ-CD1 3.68Å; F68-L152 HydrophobicContact CE2-CD1 4.31Å; F68-L152 HydrophobicContact CZ-CD1 4.2Å; F68-L152 HydrophobicContact CZ-CD2 3.91Å |
| 69 | R | 95.6 | Very high | 96.2 | Very high | 82 Ų | 82 | 30.1 Ų | 30.1 | 31% | 0.309 | 18% | 0.183 | S | C | . | . | trans | -121 | 129.7 | 176.6 | -164.8 | 172.8 | -67.6 | -162.4 | 0.2 | 110 | N21 G73 D76 K126 G127 | N21-R69 PolarHBondContact OD1-NH2 2.85Å; R69-G73 WeakPolarHBondContact CD-O 3.47Å; R69-D76 VanDerWaalsContact CB-OD1 3.26Å; R69-D76 WeakPolarHBondContact CB-OD1 3.36Å; R69-D76 IonicContact CZ-OD1 2.75Å; R69-D76 VanDerWaalsContact CZ-OD1 3.3Å; R69-D76 IonicContact CZ-OD2 3.64Å; R69-D76 IonicContact NE-OD1 3.68Å; R69-D76 PolarHBondContact NE-OD1 3.15Å; R69-D76 IonicContact NE-OD2 3.31Å; R69-D76 VanDerWaalsContact NH2-CG 3.27Å; R69-D76 IonicContact NH2-OD1 3.62Å; R69-D76 PolarHBondContact NH2-OD1 2.81Å; R69-D76 IonicContact NH2-OD2 2.66Å; R69-D76 PolarHBondContact NH2-OD2 2.98Å; R69-K126 CarbonylContact O-C 3.59Å; R69-G127 WeakPolarHBondContact O-CA 3.36Å | ||
| 70 | L | 93.8 | Very high | 96.2 | Very high | 18 Ų | 18 | 30 Ų | 30 | 9% | 0.094 | 18% | 0.183 | C | C | . | . | trans | -64.4 | 148.9 | 169.4 | -69.9 | 175.3 | 0 | 0 | 0 | 110.9 | F68 G72 G73 Y77 L144 R146 L152 | F68-L70 HydrophobicContact CE2-CD2 4Å; F68-L70 HydrophobicContact CE2-CG 4.2Å; L70-G72 PolarHBondContact O-N 3.14Å; L70-G72 VanDerWaalsContact O-N 3.16Å; L70-G73 PolarHBondContact O-N 2.67Å; L70-Y77 HydrophobicContact CD1-CE2 3.97Å; L70-Y77 HydrophobicContact CG-CE2 4.25Å; L70-L144 HydrophobicContact CD2-CB 4.47Å; L70-R146 HydrophobicContact CD1-CB 4.38Å; L70-L152 HydrophobicContact CD1-CB 4.36Å; L70-L152 HydrophobicContact CD1-CD1 3.98Å; L70-L152 HydrophobicContact CD2-CD1 3.83Å; L70-L152 HydrophobicContact CG-CD1 4.27Å | ||
| 71 | T | 92.1 | Very high | 96.3 | Very high | 66 Ų | 66 | 30 Ų | 30 | 41% | 0.405 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | 121.4 | 175.9 | -62.7 | 0 | 0 | 0 | 0 | 110.9 | G73 K126 F177 | T71-G73 VanDerWaalsContact C-N 3.26Å; T71-G73 PolarHBondContact O-N 2.72Å; T71-K126 PolarHBondContact OG1-O 2.87Å; T71-F177 HydrophobicContact CG2-CE1 4.09Å |
| 72 | G | 88.9 | Confident | 96.3 | Very high | 73 Ų | 73 | 27.8 Ų | 27.8 | 75% | 0.753 | 17% | 0.171 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 75.5 | 5.5 | -176.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | L70 | L70-G72 PolarHBondContact O-N 3.14Å; L70-G72 VanDerWaalsContact O-N 3.16Å |
| 73 | G | 91.1 | Very high | 96.3 | Very high | 30 Ų | 30 | 27.6 Ų | 27.6 | 31% | 0.309 | 17% | 0.17 | S | C | . | . | trans | -77.3 | 158.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | R69 L70 T71 | R69-G73 WeakPolarHBondContact CD-O 3.47Å; L70-G73 PolarHBondContact O-N 2.67Å; T71-G73 VanDerWaalsContact C-N 3.26Å; T71-G73 PolarHBondContact O-N 2.72Å | ||
| 74 | T | 93.3 | Very high | 96.2 | Very high | 106 Ų | 106 | 27 Ų | 27 | 65% | 0.65 | 17% | 0.169 | S | C | * | . | S | Bend | trans | -108.1 | -10.4 | 177 | 54 | 0 | 0 | 0 | 0 | 113.5 | ||
| 75 | K | 95.8 | Very high | 96.2 | Very high | 30 Ų | 30 | 26.8 Ų | 26.8 | 13% | 0.13 | 17% | 0.168 | C | C | . | . | S | Bend | trans | -122.4 | 141.2 | -173.7 | -170 | 175.6 | -175.2 | -177.5 | 0 | 110.5 | F22 E91 Y92 | F22-K75 WeakPolarHBondContact O-CE 3.49Å; K75-E91 HydrophobicContact CD-CG 4.19Å; K75-E91 WeakPolarHBondContact CD-OE1 3.47Å; K75-E91 WeakPolarHBondContact CE-OE1 3.1Å; K75-E91 VanDerWaalsContact NZ-CG 3.25Å; K75-E91 IonicContact NZ-OE1 2.56Å; K75-E91 PolarHBondContact NZ-OE1 3.47Å; K75-Y92 WeakPolarHBondContact CE-O 3.42Å; K75-Y92 PolarHBondContact NZ-O 3.03Å |
| 76 | D | 97.6 | Very high | 96.2 | Very high | 14 Ų | 14 | 30.3 Ų | 30.3 | 8% | 0.075 | 18% | 0.18 | C | C | . | . | trans | -92 | 133.9 | 176.7 | -64.3 | -36.1 | 0 | 0 | 0 | 110.9 | G20 N21 F22 F68 R69 | G20-D76 VanDerWaalsContact CA-OD2 3.24Å; G20-D76 WeakPolarHBondContact CA-OD2 3.37Å; N21-D76 PolarHBondContact N-OD2 2.98Å; N21-D76 PolarHBondContact O-N 2.85Å; N21-D76 VanDerWaalsContact O-N 3.1Å; F22-D76 HydrophobicContact CD1-CB 3.92Å; F22-D76 HydrophobicContact CE1-CB 3.9Å; F68-D76 WeakPolarHBondContact O-CA 3.31Å; R69-D76 VanDerWaalsContact CB-OD1 3.26Å; R69-D76 WeakPolarHBondContact CB-OD1 3.36Å; R69-D76 IonicContact CZ-OD1 2.75Å; R69-D76 VanDerWaalsContact CZ-OD1 3.3Å; R69-D76 IonicContact CZ-OD2 3.64Å; R69-D76 IonicContact NE-OD1 3.68Å; R69-D76 PolarHBondContact NE-OD1 3.15Å; R69-D76 IonicContact NE-OD2 3.31Å; R69-D76 VanDerWaalsContact NH2-CG 3.27Å; R69-D76 IonicContact NH2-OD1 3.62Å; R69-D76 PolarHBondContact NH2-OD1 2.81Å; R69-D76 IonicContact NH2-OD2 2.66Å; R69-D76 PolarHBondContact NH2-OD2 2.98Å | ||
| 77 | Y | 98.1 | Very high | 96.2 | Very high | 26 Ų | 26 | 27.2 Ų | 27.2 | 10% | 0.102 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 158.6 | 170.9 | -66.4 | -89.4 | 0 | 0 | 0 | 109.9 | A67 F68 L70 I89 E91 V102 L152 | A67-Y77 VanDerWaalsContact CA-O 3.29Å; A67-Y77 WeakPolarHBondContact CA-O 3.35Å; F68-Y77 VanDerWaalsContact CE1-CB 3.45Å; F68-Y77 HydrophobicContact CE1-CG 4.35Å; F68-Y77 HydrophobicContact CE2-CD2 4.24Å; F68-Y77 HydrophobicContact CZ-CD2 4.14Å; F68-Y77 HydrophobicContact CZ-CG 4.07Å; F68-Y77 PolarHBondContact N-O 2.59Å; F68-Y77 PolarHBondContact O-N 3.14Å; L70-Y77 HydrophobicContact CD1-CE2 3.97Å; L70-Y77 HydrophobicContact CG-CE2 4.25Å; Y77-I89 HydrophobicContact CD1-CG2 4.28Å; Y77-I89 HydrophobicContact CG-CG2 4.44Å; Y77-E91 HydrophobicContact CD1-CB 4.03Å; Y77-E91 HydrophobicContact CD1-CG 4.43Å; Y77-E91 HydrophobicContact CE1-CB 4.05Å; Y77-E91 HydrophobicContact CE1-CG 4.18Å; Y77-E91 WeakPolarHBondContact CE1-OE2 3.27Å; Y77-V102 HydrophobicContact CD1-CG2 4.48Å; Y77-V102 HydrophobicContact CE1-CG2 4.33Å; Y77-L152 HydrophobicContact CD1-CD2 4.2Å; Y77-L152 HydrophobicContact CE1-CB 4.42Å; Y77-L152 HydrophobicContact CE1-CD2 4.32Å; Y77-L152 HydrophobicContact CG-CD2 4.41Å |
| 78 | I | 98.6 | Very high | 96.2 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 122.8 | -178.8 | -55.8 | 157.4 | 0 | 0 | 0 | 108.3 | I18 F22 V31 L65 V80 I89 L90 F99 | I18-I78 HydrophobicContact CD1-CG2 4.18Å; F22-I78 HydrophobicContact CD1-CD1 4.03Å; F22-I78 HydrophobicContact CD1-CG1 3.73Å; F22-I78 HydrophobicContact CE1-CD1 4.23Å; F22-I78 HydrophobicContact CE1-CG1 3.55Å; F22-I78 HydrophobicContact CZ-CG1 4.46Å; V31-I78 HydrophobicContact CG1-CD1 4.25Å; V31-I78 HydrophobicContact CG2-CD1 3.73Å; V31-I78 HydrophobicContact CG2-CG1 4.35Å; L65-I78 HydrophobicContact CD1-CG2 3.49Å; L65-I78 VanDerWaalsContact CD1-CG2 3.49Å; I78-V80 HydrophobicContact CG2-CG2 3.93Å; I78-I89 CarbonylContact O-C 3.47Å; I78-I89 WeakPolarHBondContact O-CA 3.45Å; I78-L90 HydrophobicContact CB-CB 4.25Å; I78-L90 PolarHBondContact N-O 2.87Å; I78-L90 PolarHBondContact O-N 2.98Å; I78-F99 HydrophobicContact CD1-CD1 4.14Å; I78-F99 HydrophobicContact CD1-CE1 3.66Å |
| 79 | V | 98.4 | Very high | 96.3 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 131.2 | 172.2 | -171.7 | 0 | 0 | 0 | 0 | 108.8 | M66 F68 I87 V88 I89 L121 V130 | M66-V79 PolarHBondContact N-O 2.7Å; M66-V79 VanDerWaalsContact N-O 3.07Å; M66-V79 PolarHBondContact O-N 3.25Å; F68-V79 HydrophobicContact CD1-CG2 3.47Å; F68-V79 VanDerWaalsContact CD1-CG2 3.47Å; F68-V79 HydrophobicContact CE1-CG2 3.36Å; V79-I87 HydrophobicContact CG1-CD1 3.74Å; V79-I87 HydrophobicContact CG1-CG1 3.79Å; V79-V88 WeakPolarHBondContact CA-O 3.36Å; V79-I89 HydrophobicContact CG2-CD1 4.49Å; V79-I89 HydrophobicContact CG2-CG1 4.19Å; V79-L121 HydrophobicContact CB-CD2 3.96Å; V79-L121 HydrophobicContact CG1-CD1 3.97Å; V79-L121 HydrophobicContact CG1-CD2 3.79Å; V79-L121 HydrophobicContact CG1-CG 4.42Å; V79-L121 WeakPolarHBondContact O-CD2 3.46Å; V79-V130 HydrophobicContact CG1-CG2 4.27Å |
| 80 | V | 98.6 | Very high | 96.4 | Very high | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 122.8 | -178.6 | -166.8 | 0 | 0 | 0 | 0 | 110.3 | V62 L65 I78 V88 L90 | V62-V80 HydrophobicContact CB-CG1 4.48Å; V62-V80 HydrophobicContact CG1-CG1 3.85Å; V62-V80 HydrophobicContact CG2-CG1 4.06Å; L65-V80 HydrophobicContact CD1-CG2 3.91Å; I78-V80 HydrophobicContact CG2-CG2 3.93Å; V80-V88 HydrophobicContact CB-CG2 3.65Å; V80-V88 HydrophobicContact CG2-CG2 4.13Å; V80-V88 PolarHBondContact N-O 3.04Å; V80-V88 PolarHBondContact O-N 2.86Å; V80-L90 HydrophobicContact CG2-CD1 3.88Å; V80-L90 HydrophobicContact CG2-CG 4.44Å |
| 81 | G | 98 | Very high | 96.6 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 123 | 166.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | R63 S64 | R63-G81 PolarHBondContact N-O 3.43Å; S64-G81 PolarHBondContact N-O 2.93Å; S64-G81 PolarHBondContact O-N 3.34Å; S64-G81 WeakPolarHBondContact OG-CA 3.31Å |
| 82 | S | 97.6 | Very high | 96.8 | Very high | 2 Ų | 2 | 19.8 Ų | 19.8 | 1% | 0.014 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | -175.4 | -177.3 | 73.8 | 0 | 0 | 0 | 0 | 112.9 | I61 S84 C1156 | I61-S82 CarbonylContact O-C 3.57Å; I61-S82 VanDerWaalsContact O-CA 3.23Å; I61-S82 WeakPolarHBondContact O-CA 3.23Å; I61-S82 WeakPolarHBondContact O-CB 3.37Å; S82-S84 PolarHBondContact O-N 2.81Å; S82-S84 WeakPolarHBondContact OG-CB 3.4Å; S82-S84 PolarHBondContact OG-N 3.06Å; S82-S84 PolarHBondContact OG-OG 2.85Å; S82-C1156 PolarHBondContact OG-O 2.9Å |
| 83 | D | 97.8 | Very high | 97.1 | Very high | 1 Ų | 1 | 18.2 Ų | 18.2 | 1% | 0.005 | 10% | 0.098 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.6 | 6.3 | 171.2 | 74.4 | -52.6 | 0 | 0 | 0 | 113.8 | G60 I61 S110 G111 R1158 Y1166 | G60-D83 WeakPolarHBondContact CA-OD1 3.14Å; I61-D83 HydrophobicContact CB-CB 4.22Å; I61-D83 PolarHBondContact N-OD1 2.78Å; I61-D83 PolarHBondContact O-N 2.86Å; I61-D83 VanDerWaalsContact O-N 3.15Å; D83-S110 CarbonylContact O-C 3.6Å; D83-S110 WeakPolarHBondContact O-CA 3.48Å; D83-S110 WeakPolarHBondContact O-CB 3.35Å; D83-G111 PolarHBondContact O-N 2.89Å; D83-R1158 WeakPolarHBondContact OD2-CD 3.35Å; D83-R1158 IonicContact OD2-CZ 2.82Å; D83-R1158 IonicContact OD2-NE 2.84Å; D83-R1158 PolarHBondContact OD2-NE 2.85Å; D83-R1158 IonicContact OD2-NH2 3.85Å; D83-Y1166 WeakPolarHBondContact OD2-CE2 3.46Å |
| 84 | S | 96.9 | Very high | 97.1 | Very high | 7 Ų | 7 | 19.8 Ų | 19.8 | 5% | 0.049 | 10% | 0.102 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.7 | -21.3 | -173.4 | 69.1 | 0 | 0 | 0 | 0 | 114.8 | S82 R86 C1156 G1157 | S82-S84 PolarHBondContact O-N 2.81Å; S82-S84 WeakPolarHBondContact OG-CB 3.4Å; S82-S84 PolarHBondContact OG-N 3.06Å; S82-S84 PolarHBondContact OG-OG 2.85Å; S84-R86 VanDerWaalsContact C-N 3.27Å; S84-R86 WeakPolarHBondContact OG-CB 3.4Å; S84-R86 PolarHBondContact OG-N 2.71Å; S84-R86 PolarHBondContact OG-O 3.11Å; S84-C1156 WeakPolarHBondContact CB-O 3.4Å; S84-C1156 PolarHBondContact OG-O 3.01Å; S84-G1157 WeakPolarHBondContact CB-O 3.42Å |
| 85 | G | 96.8 | Very high | 97 | Very high | 2 Ų | 2 | 20 Ų | 20 | 2% | 0.021 | 11% | 0.108 | C | C | . | . | S | Bend | trans | 76.3 | 17.3 | -164.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | F107 G108 | G85-F107 PolarHBondContact O-N 2.84Å; G85-G108 PolarHBondContact O-N 3.34Å |
| 86 | R | 98.1 | Very high | 96.5 | Very high | 78 Ų | 78 | 24.2 Ų | 24.2 | 29% | 0.294 | 13% | 0.126 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 150.6 | 176.7 | -51.9 | -174.8 | 169.2 | 117.9 | -2.2 | 110.2 | S84 Q104 E105 T106 G1157 | S84-R86 VanDerWaalsContact C-N 3.27Å; S84-R86 WeakPolarHBondContact OG-CB 3.4Å; S84-R86 PolarHBondContact OG-N 2.71Å; S84-R86 PolarHBondContact OG-O 3.11Å; R86-Q104 HydrophobicContact CB-CG 4.36Å; R86-E105 CarbonylContact C-O 3.49Å; R86-E105 WeakPolarHBondContact CA-O 3.22Å; R86-E105 VanDerWaalsContact CB-O 3.31Å; R86-E105 WeakPolarHBondContact CB-O 3.33Å; R86-T106 WeakPolarHBondContact CD-OG1 3.36Å; R86-T106 HydrophobicContact CG-CG2 4.17Å; R86-T106 PolarHBondContact NE-OG1 2.63Å; R86-G1157 WeakPolarHBondContact CD-O 3.5Å; R86-G1157 PolarHBondContact NH1-O 2.81Å |
| 87 | I | 98.1 | Very high | 96.2 | Very high | 2 Ų | 2 | 25.9 Ų | 25.9 | 1% | 0.01 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 132.6 | 171 | -176.5 | 171.5 | 0 | 0 | 0 | 107.4 | V79 Q104 E105 F107 L121 V130 I132 Y142 | V79-I87 HydrophobicContact CG1-CD1 3.74Å; V79-I87 HydrophobicContact CG1-CG1 3.79Å; I87-Q104 WeakPolarHBondContact O-CA 3.16Å; I87-E105 HydrophobicContact CG2-CB 3.82Å; I87-E105 PolarHBondContact N-O 3.1Å; I87-E105 PolarHBondContact O-N 3.04Å; I87-F107 HydrophobicContact CB-CD1 4.37Å; I87-F107 HydrophobicContact CB-CE1 3.89Å; I87-F107 HydrophobicContact CG2-CD1 4.2Å; I87-F107 HydrophobicContact CG2-CE1 4.23Å; I87-L121 HydrophobicContact CD1-CD1 4.39Å; I87-V130 HydrophobicContact CD1-CG1 4.37Å; I87-I132 HydrophobicContact CB-CD1 4.2Å; I87-I132 HydrophobicContact CD1-CB 4.42Å; I87-I132 HydrophobicContact CD1-CD1 4.23Å; I87-I132 HydrophobicContact CD1-CG2 4.49Å; I87-I132 HydrophobicContact CG1-CD1 4.33Å; I87-Y142 HydrophobicContact CD1-CD2 4.24Å; I87-Y142 HydrophobicContact CD1-CE2 4.31Å; I87-Y142 HydrophobicContact CG2-CE1 4.36Å; I87-Y142 HydrophobicContact CG2-CE2 3.93Å |
| 88 | V | 98.4 | Very high | 95.9 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 143 | 177.4 | -62.2 | 0 | 0 | 0 | 0 | 110.6 | V79 V80 L90 H103 Q104 | V79-V88 WeakPolarHBondContact CA-O 3.36Å; V80-V88 HydrophobicContact CB-CG2 3.65Å; V80-V88 HydrophobicContact CG2-CG2 4.13Å; V80-V88 PolarHBondContact N-O 3.04Å; V80-V88 PolarHBondContact O-N 2.86Å; V88-L90 HydrophobicContact CB-CD2 4.39Å; V88-L90 HydrophobicContact CG2-CD2 4.31Å; V88-L90 HydrophobicContact CG2-CG 4.4Å; V88-H103 WeakPolarHBondContact CA-O 3.32Å; V88-Q104 HydrophobicContact CG1-CB 4.13Å; V88-Q104 HydrophobicContact CG1-CG 3.86Å |
| 89 | I | 98.5 | Very high | 95.8 | Very high | 1 Ų | 1 | 27 Ų | 27 | 1% | 0.005 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 125.2 | 169.8 | -51.1 | -175.6 | 0 | 0 | 0 | 108.1 | F68 Y77 I78 V79 V102 H103 L144 L152 I154 | F68-I89 HydrophobicContact CE1-CD1 4.46Å; F68-I89 HydrophobicContact CE1-CG2 3.92Å; F68-I89 HydrophobicContact CZ-CD1 4.44Å; F68-I89 HydrophobicContact CZ-CG2 4.18Å; Y77-I89 HydrophobicContact CD1-CG2 4.28Å; Y77-I89 HydrophobicContact CG-CG2 4.44Å; I78-I89 CarbonylContact O-C 3.47Å; I78-I89 WeakPolarHBondContact O-CA 3.45Å; V79-I89 HydrophobicContact CG2-CD1 4.49Å; V79-I89 HydrophobicContact CG2-CG1 4.19Å; I89-V102 PolarHBondContact O-N 3.27Å; I89-H103 HydrophobicContact CB-CB 4.29Å; I89-H103 HydrophobicContact CG1-CB 4.43Å; I89-H103 PolarHBondContact N-O 3.4Å; I89-H103 PolarHBondContact O-N 2.67Å; I89-L144 HydrophobicContact CD1-CD2 3.79Å; I89-L152 HydrophobicContact CB-CD2 4.32Å; I89-L152 HydrophobicContact CD1-CD2 3.94Å; I89-L152 HydrophobicContact CG2-CD2 3.65Å; I89-I154 HydrophobicContact CD1-CD1 4.06Å |
| 90 | L | 98.3 | Very high | 95.7 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 150 | -175.3 | -49.3 | 175.6 | 0 | 0 | 0 | 110.8 | L38 I78 V80 V88 E100 K101 L1155 | L38-L90 HydrophobicContact CD2-CD1 3.73Å; I78-L90 HydrophobicContact CB-CB 4.25Å; I78-L90 PolarHBondContact N-O 2.87Å; I78-L90 PolarHBondContact O-N 2.98Å; V80-L90 HydrophobicContact CG2-CD1 3.88Å; V80-L90 HydrophobicContact CG2-CG 4.44Å; V88-L90 HydrophobicContact CB-CD2 4.39Å; V88-L90 HydrophobicContact CG2-CD2 4.31Å; V88-L90 HydrophobicContact CG2-CG 4.4Å; L90-E100 CarbonylContact C-O 3.43Å; L90-E100 VanDerWaalsContact CA-O 3.3Å; L90-E100 WeakPolarHBondContact CA-O 3.38Å; L90-K101 HydrophobicContact CD2-CB 4.11Å; L90-K101 HydrophobicContact CD2-CG 4.13Å; L90-L1155 HydrophobicContact CD1-CD1 4.4Å; L90-L1155 HydrophobicContact CD1-CD2 3.68Å; L90-L1155 HydrophobicContact CD1-CG 3.92Å; L90-L1155 HydrophobicContact CD2-CD1 3.73Å; L90-L1155 HydrophobicContact CD2-CG 3.94Å |
| 91 | E | 97.5 | Very high | 95.6 | Very high | 35 Ų | 35 | 34 Ų | 34 | 16% | 0.164 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 131.2 | 171.8 | -177.7 | 177.7 | 173.3 | 0 | 0 | 109.1 | K75 Y77 H93 E100 V102 | K75-E91 HydrophobicContact CD-CG 4.19Å; K75-E91 WeakPolarHBondContact CD-OE1 3.47Å; K75-E91 WeakPolarHBondContact CE-OE1 3.1Å; K75-E91 VanDerWaalsContact NZ-CG 3.25Å; K75-E91 IonicContact NZ-OE1 2.56Å; K75-E91 PolarHBondContact NZ-OE1 3.47Å; Y77-E91 HydrophobicContact CD1-CB 4.03Å; Y77-E91 HydrophobicContact CD1-CG 4.43Å; Y77-E91 HydrophobicContact CE1-CB 4.05Å; Y77-E91 HydrophobicContact CE1-CG 4.18Å; Y77-E91 WeakPolarHBondContact CE1-OE2 3.27Å; E91-H93 IonicContact OE1-CE1 3.51Å; E91-H93 IonicContact OE1-NE2 2.75Å; E91-H93 IonicContact OE2-NE2 3.84Å; E91-E100 PolarHBondContact N-O 2.82Å; E91-E100 PolarHBondContact O-N 3.13Å; E91-V102 HydrophobicContact CB-CG2 3.52Å |
| 92 | Y | 97.3 | Very high | 95.5 | Very high | 8 Ų | 8 | 35.9 Ų | 35.9 | 3% | 0.031 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 127.9 | 175.8 | 172.6 | -114.5 | 0 | 0 | 0 | 111 | L40 L54 K75 P94 N97 F99 | L40-Y92 HydrophobicContact CD2-CD1 3.53Å; L40-Y92 HydrophobicContact CD2-CD2 3.67Å; L40-Y92 HydrophobicContact CD2-CE1 3.38Å; L40-Y92 HydrophobicContact CD2-CE2 3.52Å; L40-Y92 HydrophobicContact CD2-CG 3.67Å; L54-Y92 HydrophobicContact CB-CE2 4.41Å; L54-Y92 HydrophobicContact CD2-CD2 4.05Å; L54-Y92 HydrophobicContact CD2-CE2 3.92Å; K75-Y92 WeakPolarHBondContact CE-O 3.42Å; K75-Y92 PolarHBondContact NZ-O 3.03Å; Y92-P94 HydrophobicContact CD1-CG 4.13Å; Y92-P94 HydrophobicContact CE1-CB 4.2Å; Y92-P94 HydrophobicContact CE1-CG 3.81Å; Y92-P94 WeakPolarHBondContact O-CD 3.46Å; Y92-N97 WeakPolarHBondContact CE2-OD1 3.07Å; Y92-N97 PolarHBondContact OH-OD1 2.84Å; Y92-F99 HydrophobicContact CD2-CD1 4.32Å; Y92-F99 HydrophobicContact CD2-CE1 4.24Å |
| 93 | H | 94.6 | Very high | 95.5 | Very high | 41 Ų | 41 | 37.9 Ų | 37.9 | 19% | 0.19 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 108 | 175.7 | -74.6 | -84.7 | 0 | 0 | 0 | 111.5 | E91 S95 K96 N97 Q98 E100 | E91-H93 IonicContact OE1-CE1 3.51Å; E91-H93 IonicContact OE1-NE2 2.75Å; E91-H93 IonicContact OE2-NE2 3.84Å; H93-S95 VanDerWaalsContact C-N 3.29Å; H93-S95 PolarHBondContact O-N 2.87Å; H93-K96 PolarHBondContact O-N 3.25Å; H93-N97 WeakPolarHBondContact O-CA 3.37Å; H93-N97 PolarHBondContact O-N 2.94Å; H93-Q98 PolarHBondContact N-O 3.02Å; H93-Q98 PolarHBondContact O-N 3Å; H93-E100 VanDerWaalsContact CD2-CB 3.43Å; H93-E100 WeakPolarHBondContact CD2-CB 3.27Å; H93-E100 IonicContact CD2-OE2 2.61Å; H93-E100 PolarHBondContact CD2-OE2 2.8Å; H93-E100 IonicContact CE1-OE2 2.77Å; H93-E100 IonicContact NE2-OE2 4Å; H93-E100 PolarHBondContact NE2-OE2 3.49Å |
| 94 | P | 91.6 | Very high | 95.5 | Very high | 62 Ų | 62 | 41.1 Ų | 41.1 | 40% | 0.403 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -34.7 | -179.7 | -24.6 | 33.5 | 0 | 0 | 0 | 113.8 | Y92 K96 N97 | Y92-P94 HydrophobicContact CD1-CG 4.13Å; Y92-P94 HydrophobicContact CE1-CB 4.2Å; Y92-P94 HydrophobicContact CE1-CG 3.81Å; Y92-P94 WeakPolarHBondContact O-CD 3.46Å; P94-K96 VanDerWaalsContact C-N 3.31Å; P94-K96 PolarHBondContact O-N 2.77Å; P94-N97 PolarHBondContact O-N 2.87Å |
| 95 | S | 89.9 | Confident | 95.5 | Very high | 112 Ų | 112 | 44.1 Ų | 44.1 | 78% | 0.783 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.7 | -28.4 | -177.4 | 58.4 | 0 | 0 | 0 | 0 | 114 | H93 | H93-S95 VanDerWaalsContact C-N 3.29Å; H93-S95 PolarHBondContact O-N 2.87Å |
| 96 | K | 86.4 | Confident | 95.6 | Very high | 117 Ų | 117 | 48.1 Ų | 48.1 | 51% | 0.509 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -106.8 | -6.4 | 177.5 | -67.3 | -172.7 | 178.7 | -170.6 | 0 | 112.6 | H93 P94 Q98 | H93-K96 PolarHBondContact O-N 3.25Å; P94-K96 VanDerWaalsContact C-N 3.31Å; P94-K96 PolarHBondContact O-N 2.77Å; K96-Q98 VanDerWaalsContact C-N 3.32Å; K96-Q98 HydrophobicContact CB-CG 3.77Å; K96-Q98 HydrophobicContact CD-CG 4.49Å; K96-Q98 VanDerWaalsContact CD-NE2 3.27Å; K96-Q98 PolarHBondContact O-N 3.06Å |
| 97 | N | 89.9 | Confident | 95.5 | Very high | 49 Ų | 49 | 46.3 Ų | 46.3 | 26% | 0.262 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 43.9 | 52.7 | -168.9 | -164.5 | 32 | 0 | 0 | 0 | 113.4 | L53 L54 Y92 H93 P94 | L53-N97 PolarHBondContact O-ND2 3.48Å; L54-N97 VanDerWaalsContact CD1-O 3.29Å; L54-N97 WeakPolarHBondContact CD1-O 3.48Å; Y92-N97 WeakPolarHBondContact CE2-OD1 3.07Å; Y92-N97 PolarHBondContact OH-OD1 2.84Å; H93-N97 WeakPolarHBondContact O-CA 3.37Å; H93-N97 PolarHBondContact O-N 2.94Å; P94-N97 PolarHBondContact O-N 2.87Å |
| 98 | Q | 92.8 | Very high | 95.4 | Very high | 40 Ų | 40 | 47.6 Ų | 47.6 | 19% | 0.187 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 157 | -178.5 | 72.6 | -178 | 8.1 | 0 | 0 | 112.3 | H93 K96 | H93-Q98 PolarHBondContact N-O 3.02Å; H93-Q98 PolarHBondContact O-N 3Å; K96-Q98 VanDerWaalsContact C-N 3.32Å; K96-Q98 HydrophobicContact CB-CG 3.77Å; K96-Q98 HydrophobicContact CD-CG 4.49Å; K96-Q98 VanDerWaalsContact CD-NE2 3.27Å; K96-Q98 PolarHBondContact O-N 3.06Å |
| 99 | F | 96.3 | Very high | 95.3 | Very high | 10 Ų | 10 | 54.5 Ų | 54.5 | 4% | 0.044 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 118.1 | 166.4 | -66.9 | -63.5 | 0 | 0 | 0 | 109.8 | L38 L40 L54 I78 Y92 L1155 | L38-F99 HydrophobicContact CB-CE2 4.48Å; L38-F99 HydrophobicContact CD2-CD2 4.16Å; L38-F99 HydrophobicContact CD2-CE2 3.91Å; L38-F99 HydrophobicContact CD2-CZ 4.12Å; L38-F99 HydrophobicContact CG-CE2 4.07Å; L38-F99 HydrophobicContact CG-CZ 4.29Å; L40-F99 HydrophobicContact CB-CZ 4.07Å; L54-F99 HydrophobicContact CD2-CD2 3.52Å; L54-F99 HydrophobicContact CD2-CE2 3.57Å; L54-F99 HydrophobicContact CD2-CG 4.04Å; L54-F99 HydrophobicContact CD2-CZ 4.11Å; L54-F99 HydrophobicContact CG-CD2 4.36Å; L54-F99 HydrophobicContact CG-CE2 4.1Å; I78-F99 HydrophobicContact CD1-CD1 4.14Å; I78-F99 HydrophobicContact CD1-CE1 3.66Å; Y92-F99 HydrophobicContact CD2-CD1 4.32Å; Y92-F99 HydrophobicContact CD2-CE1 4.24Å; F99-L1155 HydrophobicContact CB-CD1 4.21Å; F99-L1155 HydrophobicContact CB-CD2 4.05Å; F99-L1155 HydrophobicContact CD2-CD2 4.15Å; F99-L1155 HydrophobicContact CG-CD2 4.38Å |
| 100 | E | 95.6 | Very high | 95.2 | Very high | 88 Ų | 88 | 56.4 Ų | 56.4 | 41% | 0.411 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 130.9 | 170.1 | -175.4 | 167 | 159.3 | 0 | 0 | 109.7 | L90 E91 H93 V102 | L90-E100 CarbonylContact C-O 3.43Å; L90-E100 VanDerWaalsContact CA-O 3.3Å; L90-E100 WeakPolarHBondContact CA-O 3.38Å; E91-E100 PolarHBondContact N-O 2.82Å; E91-E100 PolarHBondContact O-N 3.13Å; H93-E100 VanDerWaalsContact CD2-CB 3.43Å; H93-E100 WeakPolarHBondContact CD2-CB 3.27Å; H93-E100 IonicContact CD2-OE2 2.61Å; H93-E100 PolarHBondContact CD2-OE2 2.8Å; H93-E100 IonicContact CE1-OE2 2.77Å; H93-E100 IonicContact NE2-OE2 4Å; H93-E100 PolarHBondContact NE2-OE2 3.49Å; E100-V102 PolarHBondContact O-N 3.21Å |
| 101 | K | 96.6 | Very high | 95.1 | Very high | 59 Ų | 59 | 57 Ų | 57 | 26% | 0.257 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 98.6 | 175.1 | -171.6 | -173.1 | -53 | -168.5 | 0 | 108.9 | L90 Q104 P1154 L1155 | L90-K101 HydrophobicContact CD2-CB 4.11Å; L90-K101 HydrophobicContact CD2-CG 4.13Å; K101-Q104 HydrophobicContact CD-CB 4Å; K101-P1154 PolarHBondContact NZ-O 3.2Å; K101-L1155 WeakPolarHBondContact CE-O 3.04Å; K101-L1155 PolarHBondContact NZ-O 2.92Å |
| 102 | V | 96.4 | Very high | 95.1 | Very high | 40 Ų | 40 | 58.2 Ų | 58.2 | 24% | 0.242 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | -46.2 | -176.8 | -173 | 0 | 0 | 0 | 0 | 111 | Y77 I89 E91 E100 L152 | Y77-V102 HydrophobicContact CD1-CG2 4.48Å; Y77-V102 HydrophobicContact CE1-CG2 4.33Å; I89-V102 PolarHBondContact O-N 3.27Å; E91-V102 HydrophobicContact CB-CG2 3.52Å; E100-V102 PolarHBondContact O-N 3.21Å; V102-L152 HydrophobicContact CG1-CB 4.41Å |
| 103 | H | 97.8 | Very high | 95.1 | Very high | 43 Ų | 43 | 63.3 Ų | 63.3 | 20% | 0.199 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 149.5 | 178.6 | -75 | -69.6 | 0 | 0 | 0 | 111.8 | V88 I89 L152 I154 | V88-H103 WeakPolarHBondContact CA-O 3.32Å; I89-H103 HydrophobicContact CB-CB 4.29Å; I89-H103 HydrophobicContact CG1-CB 4.43Å; I89-H103 PolarHBondContact N-O 3.4Å; I89-H103 PolarHBondContact O-N 2.67Å; H103-L152 PolarHBondContact NE2-O 2.81Å; H103-I154 HydrophobicContact CB-CG2 4.25Å |
| 104 | Q | 97.7 | Very high | 95.3 | Very high | 70 Ų | 70 | 67.7 Ų | 67.7 | 33% | 0.327 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 102.5 | 173.5 | -179.8 | -177.9 | -78.6 | 0 | 0 | 110.1 | R86 I87 V88 K101 | R86-Q104 HydrophobicContact CB-CG 4.36Å; I87-Q104 WeakPolarHBondContact O-CA 3.16Å; V88-Q104 HydrophobicContact CG1-CB 4.13Å; V88-Q104 HydrophobicContact CG1-CG 3.86Å; K101-Q104 HydrophobicContact CD-CB 4Å |
| 105 | E | 98 | Very high | 95.6 | Very high | 70 Ų | 70 | 68.4 Ų | 68.4 | 33% | 0.327 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 138.9 | 179.7 | -66.7 | -56.8 | 140 | 0 | 0 | 111.2 | R86 I87 Y142 I154 | R86-E105 CarbonylContact C-O 3.49Å; R86-E105 WeakPolarHBondContact CA-O 3.22Å; R86-E105 VanDerWaalsContact CB-O 3.31Å; R86-E105 WeakPolarHBondContact CB-O 3.33Å; I87-E105 HydrophobicContact CG2-CB 3.82Å; I87-E105 PolarHBondContact N-O 3.1Å; I87-E105 PolarHBondContact O-N 3.04Å; E105-Y142 HydrophobicContact CB-CE1 4Å; E105-Y142 HydrophobicContact CG-CE1 4.27Å; E105-I154 HydrophobicContact CG-CD1 3.98Å; E105-I154 HydrophobicContact CG-CG2 3.77Å |
| 106 | T | 97.9 | Very high | 95.9 | Very high | 85 Ų | 85 | 63.7 Ų | 63.7 | 52% | 0.521 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 127.4 | -179.5 | -56.9 | 0 | 0 | 0 | 0 | 110.2 | R86 | R86-T106 WeakPolarHBondContact CD-OG1 3.36Å; R86-T106 HydrophobicContact CG-CG2 4.17Å; R86-T106 PolarHBondContact NE-OG1 2.63Å |
| 107 | F | 96.3 | Very high | 96.5 | Very high | 40 Ų | 40 | 58.2 Ų | 58.2 | 18% | 0.175 | 29% | 0.292 | C | S | . | . | trans | -129.4 | -16.9 | -178.6 | 58.6 | -103.1 | 0 | 0 | 0 | 114.2 | G85 I87 V116 P117 I132 L140 Y142 | G85-F107 PolarHBondContact O-N 2.84Å; I87-F107 HydrophobicContact CB-CD1 4.37Å; I87-F107 HydrophobicContact CB-CE1 3.89Å; I87-F107 HydrophobicContact CG2-CD1 4.2Å; I87-F107 HydrophobicContact CG2-CE1 4.23Å; F107-V116 HydrophobicContact CD2-CG1 4.4Å; F107-V116 HydrophobicContact CE2-CG1 3.87Å; F107-P117 HydrophobicContact CD2-CB 4.35Å; F107-P117 HydrophobicContact CD2-CG 4.35Å; F107-P117 HydrophobicContact CE2-CB 3.79Å; F107-P117 HydrophobicContact CE2-CG 4.21Å; F107-P117 WeakPolarHBondContact CE2-O 3.48Å; F107-P117 HydrophobicContact CZ-CB 4.22Å; F107-P117 VanDerWaalsContact CZ-O 3.29Å; F107-P117 WeakPolarHBondContact CZ-O 3.5Å; F107-I132 HydrophobicContact CE1-CD1 3.87Å; F107-I132 HydrophobicContact CZ-CD1 3.83Å; F107-L140 HydrophobicContact CB-CD1 3.49Å; F107-L140 VanDerWaalsContact CB-CD1 3.49Å; F107-L140 HydrophobicContact CD2-CD1 3.96Å; F107-L140 HydrophobicContact CG-CD1 3.75Å; F107-Y142 WeakPolarHBondContact CD1-OH 3.36Å | ||
| 108 | G | 95.6 | Very high | 96.8 | Very high | 29 Ų | 29 | 55.9 Ų | 55.9 | 30% | 0.299 | 28% | 0.279 | S | S | . | . | S | Bend | trans | -155.5 | -172.3 | -172.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | G85 | G85-G108 PolarHBondContact O-N 3.34Š|
| 109 | K | 97.3 | Very high | 97 | Very high | 146 Ų | 146 | 57 Ų | 57 | 64% | 0.635 | 29% | 0.285 | S | S | * | . | trans | -89.6 | 154.3 | 175.4 | -66.3 | -174.8 | 178.7 | -179 | 0 | 110.8 | ||||
| 110 | S | 96.8 | Very high | 97.1 | Very high | 41 Ų | 41 | 58 Ų | 58 | 29% | 0.287 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -71 | 161.1 | 176.1 | 56.5 | 0 | 0 | 0 | 0 | 113.9 | D83 R113 | D83-S110 CarbonylContact O-C 3.6Å; D83-S110 WeakPolarHBondContact O-CA 3.48Å; D83-S110 WeakPolarHBondContact O-CB 3.35Å; S110-R113 PolarHBondContact O-NE 2.89Å; S110-R113 PolarHBondContact O-NH2 2.84Å |
| 111 | G | 95.8 | Very high | 97.2 | Very high | 13 Ų | 13 | 54.4 Ų | 54.4 | 13% | 0.134 | 27% | 0.273 | C | S | . | . | S | Bend | trans | 103.3 | 154.1 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | D83 R113 Y1166 | D83-G111 PolarHBondContact O-N 2.89Å; G111-R113 PolarHBondContact O-N 2.78Å; G111-Y1166 WeakPolarHBondContact CA-OH 3.39Å |
| 112 | C | 97.2 | Very high | 97.3 | Very high | 59 Ų | 59 | 51.7 Ų | 51.7 | 40% | 0.399 | 26% | 0.261 | S | S | . | . | S | Bend | trans | -68.8 | 72.2 | 168.7 | -60.9 | 0 | 0 | 0 | 0 | 110.9 | Y1166 | C112-Y1166 PolarHBondContact N-OH 3.12Š|
| 113 | R | 97.3 | Very high | 97.4 | Very high | 115 Ų | 115 | 50.5 Ų | 50.5 | 43% | 0.434 | 25% | 0.254 | S | S | . | . | trans | -87.2 | 156.5 | -177.5 | -63.6 | 176.9 | -178 | -119.6 | -4.2 | 111.4 | S110 G111 V116 | S110-R113 PolarHBondContact O-NE 2.89Å; S110-R113 PolarHBondContact O-NH2 2.84Å; G111-R113 PolarHBondContact O-N 2.78Å; R113-V116 HydrophobicContact CB-CB 4.04Å; R113-V116 HydrophobicContact CB-CG2 4.01Å; R113-V116 HydrophobicContact CG-CG2 4.42Å | ||
| 114 | R | 97.6 | Very high | 97.3 | Very high | 134 Ų | 134 | 48.5 Ų | 48.5 | 51% | 0.506 | 25% | 0.245 | S | C | . | . | S | Bend | trans | -64.1 | -46.3 | 176.8 | -178.6 | 169.6 | 165.6 | 175.1 | -8.5 | 112.9 | I135 E136 Y189 | R114-I135 PolarHBondContact O-N 2.89Å; R114-E136 HydrophobicContact CG-CB 4.17Å; R114-E136 IonicContact CZ-OE2 3.79Å; R114-E136 IonicContact NE-OE2 2.67Å; R114-E136 PolarHBondContact NE-OE2 2.75Å; R114-E136 IonicContact NH2-OE2 3.23Å; R114-E136 PolarHBondContact NH2-OE2 3.41Å; R114-E136 PolarHBondContact O-N 2.89Å; R114-Y189 PolarHBondContact NH2-OH 2.94Å; R114-Y189 VanDerWaalsContact NH2-OH 3.1Å |
| 115 | I | 97.8 | Very high | 97.2 | Very high | 76 Ų | 76 | 47.7 Ų | 47.7 | 39% | 0.39 | 25% | 0.246 | S | C | . | . | S | Bend | trans | -101.9 | -7.8 | -172.5 | 64.5 | 170.1 | 0 | 0 | 0 | 114.9 | A134 E136 Q138 | I115-A134 VanDerWaalsContact C-CB 3.42Å; I115-A134 WeakPolarHBondContact O-CB 3.31Å; I115-E136 HydrophobicContact CG2-CB 4.39Å; I115-Q138 VanDerWaalsContact O-CB 3.3Å; I115-Q138 WeakPolarHBondContact O-CB 3.35Å; I115-Q138 WeakPolarHBondContact O-CG 3.46Å; I115-Q138 PolarHBondContact O-OE1 2.9Å |
| 116 | V | 98.1 | Very high | 97 | Very high | 13 Ų | 13 | 46.2 Ų | 46.2 | 8% | 0.079 | 24% | 0.238 | C | C | . | . | S | Bend | trans | -92.7 | 128.5 | -179.6 | 179 | 0 | 0 | 0 | 0 | 109.4 | F107 R113 | F107-V116 HydrophobicContact CD2-CG1 4.4Å; F107-V116 HydrophobicContact CE2-CG1 3.87Å; R113-V116 HydrophobicContact CB-CB 4.04Å; R113-V116 HydrophobicContact CB-CG2 4.01Å; R113-V116 HydrophobicContact CG-CG2 4.42Å |
| 117 | P | 98.1 | Very high | 96.9 | Very high | 2 Ų | 2 | 42.2 Ų | 42.2 | 1% | 0.013 | 21% | 0.214 | C | C | . | . | S | Bend | trans | -58.6 | 150.9 | -178.9 | -27.1 | 35.6 | 0 | 0 | 0 | 114.2 | F107 I132 A134 Q138 L140 | F107-P117 HydrophobicContact CD2-CB 4.35Å; F107-P117 HydrophobicContact CD2-CG 4.35Å; F107-P117 HydrophobicContact CE2-CB 3.79Å; F107-P117 HydrophobicContact CE2-CG 4.21Å; F107-P117 WeakPolarHBondContact CE2-O 3.48Å; F107-P117 HydrophobicContact CZ-CB 4.22Å; F107-P117 VanDerWaalsContact CZ-O 3.29Å; F107-P117 WeakPolarHBondContact CZ-O 3.5Å; P117-I132 HydrophobicContact CB-CB 4.47Å; P117-I132 HydrophobicContact CB-CG1 3.97Å; P117-I132 HydrophobicContact CB-CG2 4.11Å; P117-A134 HydrophobicContact CG-CB 4.36Å; P117-Q138 HydrophobicContact CG-CB 3.94Å; P117-L140 HydrophobicContact CG-CD1 4.15Å; P117-L140 HydrophobicContact CG-CG 4.29Å |
| 118 | G | 95.5 | Very high | 96.9 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 21% | 0.211 | C | C | . | . | trans | 145.9 | -19 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | R63 S64 G133 | R63-G118 VanDerWaalsContact CB-O 3.23Å; R63-G118 WeakPolarHBondContact CB-O 3.42Å; S64-G118 PolarHBondContact OG-O 3.43Å; G118-G133 PolarHBondContact N-O 3Å | ||
| 119 | Q | 98.1 | Very high | 97 | Very high | 64 Ų | 64 | 40.4 Ų | 40.4 | 30% | 0.299 | 20% | 0.197 | S | C | . | . | S | Bend | trans | -71.6 | -44 | 177.7 | -171.6 | 58.4 | 44.4 | 0 | 0 | 112.1 | G133 I135 | Q119-G133 PolarHBondContact N-O 2.79Å; Q119-I135 HydrophobicContact CB-CG1 4.02Å; Q119-I135 HydrophobicContact CG-CD1 4.3Å; Q119-I135 HydrophobicContact CG-CG1 3.82Å |
| 120 | F | 98.1 | Very high | 97 | Very high | 32 Ų | 32 | 33.4 Ų | 33.4 | 14% | 0.14 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 143.6 | -177.4 | -58.2 | -67.7 | 0 | 0 | 0 | 110.1 | G133 I135 V167 Y168 V170 | F120-G133 PolarHBondContact N-O 3.45Å; F120-G133 VanDerWaalsContact N-O 3.15Å; F120-G133 PolarHBondContact O-N 3.08Å; F120-I135 HydrophobicContact CE2-CG1 4.38Å; F120-V167 HydrophobicContact CD2-CB 4.38Å; F120-V167 HydrophobicContact CD2-CG1 3.98Å; F120-V167 HydrophobicContact CE2-CB 4.2Å; F120-V167 HydrophobicContact CE2-CG1 4.09Å; F120-V167 WeakPolarHBondContact CE2-O 3.29Å; F120-V167 WeakPolarHBondContact CZ-O 3.4Å; F120-Y168 WeakPolarHBondContact CE1-O 3.3Å; F120-Y168 WeakPolarHBondContact CZ-O 3.39Å; F120-V170 HydrophobicContact CB-CB 4.22Å; F120-V170 HydrophobicContact CB-CG2 3.77Å; F120-V170 HydrophobicContact CG-CG2 4.19Å |
| 121 | L | 98.1 | Very high | 97.1 | Very high | 12 Ų | 12 | 31.5 Ų | 31.5 | 6% | 0.063 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 126.1 | -179.8 | -172 | 67.3 | 0 | 0 | 0 | 108.7 | S64 M66 V79 I87 V130 M131 I132 | S64-L121 WeakPolarHBondContact OG-CB 3.47Å; M66-L121 HydrophobicContact CB-CD2 3.82Å; M66-L121 HydrophobicContact CB-CG 4.2Å; M66-L121 HydrophobicContact CG-CB 4.09Å; M66-L121 HydrophobicContact CG-CD2 3.86Å; M66-L121 HydrophobicContact CG-CG 3.91Å; M66-L121 WeakPolarHBondContact CG-O 3.46Å; V79-L121 HydrophobicContact CB-CD2 3.96Å; V79-L121 HydrophobicContact CG1-CD1 3.97Å; V79-L121 HydrophobicContact CG1-CD2 3.79Å; V79-L121 HydrophobicContact CG1-CG 4.42Å; V79-L121 WeakPolarHBondContact O-CD2 3.46Å; I87-L121 HydrophobicContact CD1-CD1 4.39Å; L121-V130 HydrophobicContact CD1-CG2 3.78Å; L121-V130 HydrophobicContact CG-CG2 4.47Å; L121-M131 WeakPolarHBondContact CA-O 3.48Å; L121-I132 HydrophobicContact CD1-CB 4.02Å; L121-I132 HydrophobicContact CD1-CD1 4.48Å; L121-I132 HydrophobicContact CD1-CG1 4.17Å |
| 122 | A | 98.1 | Very high | 97.2 | Very high | 2 Ų | 2 | 30.9 Ų | 30.9 | 2% | 0.017 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 143.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | V130 M131 V170 F182 | A122-V130 WeakPolarHBondContact O-CG2 3.34Å; A122-M131 PolarHBondContact N-O 2.86Å; A122-M131 PolarHBondContact O-N 2.64Å; A122-V170 HydrophobicContact CB-CB 4.27Å; A122-V170 HydrophobicContact CB-CG1 3.7Å; A122-F182 HydrophobicContact CB-CD1 3.95Å; A122-F182 HydrophobicContact CB-CE1 4.31Å |
| 123 | V | 97.8 | Very high | 97.2 | Very high | 15 Ų | 15 | 28.1 Ų | 28.1 | 9% | 0.091 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 141.5 | -178.6 | 69.9 | 0 | 0 | 0 | 0 | 110.3 | M66 F68 P125 A129 V130 | M66-V123 HydrophobicContact CE-CG1 4.21Å; F68-V123 HydrophobicContact CB-CB 4.4Å; F68-V123 HydrophobicContact CB-CG1 4.12Å; F68-V123 HydrophobicContact CB-CG2 3.53Å; F68-V123 HydrophobicContact CD1-CG2 4.49Å; F68-V123 HydrophobicContact CG-CG2 4.01Å; V123-P125 WeakPolarHBondContact O-CD 3.32Å; V123-A129 WeakPolarHBondContact CG2-O 3.23Å; V123-V130 HydrophobicContact CB-CG2 4.36Å; V123-V130 HydrophobicContact CG2-CB 4.19Å; V123-V130 HydrophobicContact CG2-CG2 4.37Å |
| 124 | D | 97.1 | Very high | 97.3 | Very high | 1 Ų | 1 | 22.6 Ų | 22.6 | 1% | 0.005 | 11% | 0.107 | C | C | . | . | trans | -59.9 | 126.9 | 170.2 | 169.6 | 70.7 | 0 | 0 | 0 | 108.9 | K126 G127 R128 A129 P180 | D124-K126 PolarHBondContact O-N 2.93Å; D124-K126 WeakPolarHBondContact OD2-CB 3.32Å; D124-K126 PolarHBondContact OD2-N 3.29Å; D124-G127 WeakPolarHBondContact O-CA 3.42Å; D124-G127 PolarHBondContact O-N 3.14Å; D124-G127 PolarHBondContact OD2-N 3.04Å; D124-R128 IonicContact OD1-CZ 2.71Å; D124-R128 IonicContact OD1-NE 3.57Å; D124-R128 IonicContact OD1-NH2 2.87Å; D124-R128 PolarHBondContact OD1-NH2 2.7Å; D124-R128 WeakPolarHBondContact OD2-CB 3.49Å; D124-R128 WeakPolarHBondContact OD2-CG 3.43Å; D124-R128 IonicContact OD2-CZ 3.76Å; D124-R128 PolarHBondContact OD2-N 2.84Å; D124-R128 IonicContact OD2-NE 2.76Å; D124-R128 PolarHBondContact OD2-NE 2.95Å; D124-R128 IonicContact OD2-NH2 2.84Å; D124-A129 HydrophobicContact CB-CB 4.49Å; D124-A129 WeakPolarHBondContact CB-O 3.37Å; D124-A129 PolarHBondContact N-O 3.21Å; D124-P180 HydrophobicContact CB-CB 4.27Å | ||
| 125 | P | 94.4 | Very high | 97.3 | Very high | 53 Ų | 53 | 19.2 Ų | 19.2 | 34% | 0.344 | 10% | 0.099 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60 | -17.6 | -177.6 | -30.8 | 39.8 | 0 | 0 | 0 | 115.3 | V123 D174 T237 | V123-P125 WeakPolarHBondContact O-CD 3.32Å; P125-D174 HydrophobicContact CB-CB 4.14Å; P125-D174 HydrophobicContact CG-CB 3.84Å; P125-T237 HydrophobicContact CG-CG2 4.23Å |
| 126 | K | 94.6 | Very high | 97.3 | Very high | 38 Ų | 38 | 16.5 Ų | 16.5 | 17% | 0.165 | 8% | 0.084 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.9 | 3 | 172 | -50.9 | -49.1 | -177.8 | -153.9 | 0 | 113.9 | R69 T71 D124 R128 D174 G176 | R69-K126 CarbonylContact O-C 3.59Å; T71-K126 PolarHBondContact OG1-O 2.87Å; D124-K126 PolarHBondContact O-N 2.93Å; D124-K126 WeakPolarHBondContact OD2-CB 3.32Å; D124-K126 PolarHBondContact OD2-N 3.29Å; K126-R128 HydrophobicContact CB-CG 4.22Å; K126-D174 WeakPolarHBondContact CE-OD1 3.4Å; K126-D174 IonicContact NZ-OD1 3.92Å; K126-D174 PolarHBondContact NZ-OD1 2.98Å; K126-D174 IonicContact NZ-OD2 2.65Å; K126-G176 WeakPolarHBondContact CE-O 3.16Å; K126-G176 WeakPolarHBondContact CG-O 3.16Å |
| 127 | G | 95.2 | Very high | 97.3 | Very high | 2 Ų | 2 | 19.8 Ų | 19.8 | 2% | 0.021 | 10% | 0.098 | C | C | . | . | S | Bend | trans | 71.9 | 27.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | R69 D124 | R69-G127 WeakPolarHBondContact O-CA 3.36Å; D124-G127 WeakPolarHBondContact O-CA 3.42Å; D124-G127 PolarHBondContact O-N 3.14Å; D124-G127 PolarHBondContact OD2-N 3.04Å |
| 128 | R | 96 | Very high | 97.2 | Very high | 30 Ų | 30 | 22.1 Ų | 22.1 | 11% | 0.113 | 11% | 0.108 | C | C | . | . | S | Bend | trans | -91.8 | -25.5 | -176.5 | -58.3 | 171.1 | -65.6 | 164.5 | 3 | 113.7 | D124 K126 L144 F177 E178 P180 | D124-R128 IonicContact OD1-CZ 2.71Å; D124-R128 IonicContact OD1-NE 3.57Å; D124-R128 IonicContact OD1-NH2 2.87Å; D124-R128 PolarHBondContact OD1-NH2 2.7Å; D124-R128 WeakPolarHBondContact OD2-CB 3.49Å; D124-R128 WeakPolarHBondContact OD2-CG 3.43Å; D124-R128 IonicContact OD2-CZ 3.76Å; D124-R128 PolarHBondContact OD2-N 2.84Å; D124-R128 IonicContact OD2-NE 2.76Å; D124-R128 PolarHBondContact OD2-NE 2.95Å; D124-R128 IonicContact OD2-NH2 2.84Å; K126-R128 HydrophobicContact CB-CG 4.22Å; R128-L144 PolarHBondContact O-N 2.79Å; R128-F177 VanDerWaalsContact NH1-C 3.31Å; R128-F177 PolarHBondContact NH1-O 2.76Å; R128-E178 PolarHBondContact NH1-O 3.48Å; R128-E178 PolarHBondContact NH2-O 2.92Å; R128-P180 HydrophobicContact CB-CG 4.4Å |
| 129 | A | 97.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.8 | 153.9 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | V123 D124 V141 Y142 P180 F182 L213 | V123-A129 WeakPolarHBondContact CG2-O 3.23Å; D124-A129 HydrophobicContact CB-CB 4.49Å; D124-A129 WeakPolarHBondContact CB-O 3.37Å; D124-A129 PolarHBondContact N-O 3.21Å; A129-V141 HydrophobicContact CB-CG1 4.28Å; A129-Y142 CarbonylContact C-O 3.53Å; A129-Y142 VanDerWaalsContact CA-O 3.23Å; A129-Y142 WeakPolarHBondContact CA-O 3.21Å; A129-P180 HydrophobicContact CB-CB 4.32Å; A129-P180 HydrophobicContact CB-CG 4.35Å; A129-F182 HydrophobicContact CB-CE2 4.36Å; A129-F182 HydrophobicContact CB-CZ 4.04Å; A129-L213 HydrophobicContact CB-CD2 3.49Å; A129-L213 VanDerWaalsContact CB-CD2 3.49Å |
| 130 | V | 98.3 | Very high | 97.4 | Very high | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 134.8 | 174.9 | 62.4 | 0 | 0 | 0 | 0 | 109.9 | V79 I87 L121 A122 V123 V141 Y142 L144 | V79-V130 HydrophobicContact CG1-CG2 4.27Å; I87-V130 HydrophobicContact CD1-CG1 4.37Å; L121-V130 HydrophobicContact CD1-CG2 3.78Å; L121-V130 HydrophobicContact CG-CG2 4.47Å; A122-V130 WeakPolarHBondContact O-CG2 3.34Å; V123-V130 HydrophobicContact CB-CG2 4.36Å; V123-V130 HydrophobicContact CG2-CB 4.19Å; V123-V130 HydrophobicContact CG2-CG2 4.37Å; V130-V141 CarbonylContact O-C 3.55Å; V130-V141 WeakPolarHBondContact O-CA 3.44Å; V130-Y142 PolarHBondContact N-O 2.98Å; V130-Y142 PolarHBondContact O-N 2.83Å; V130-L144 HydrophobicContact CB-CD1 4.11Å; V130-L144 HydrophobicContact CG1-CD1 4.02Å; V130-L144 HydrophobicContact CG1-CD2 4.18Å; V130-L144 HydrophobicContact CG1-CG 4.22Å |
| 131 | M | 98.5 | Very high | 97.4 | Very high | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 128.3 | 178.4 | -178.4 | 178.7 | -176.1 | 0 | 0 | 110 | L121 A122 K139 L140 V141 V170 F182 | L121-M131 WeakPolarHBondContact CA-O 3.48Å; A122-M131 PolarHBondContact N-O 2.86Å; A122-M131 PolarHBondContact O-N 2.64Å; M131-K139 HydrophobicContact CE-CB 3.56Å; M131-K139 HydrophobicContact CE-CD 3.25Å; M131-K139 HydrophobicContact CE-CG 3.6Å; M131-L140 CarbonylContact C-O 3.54Å; M131-L140 WeakPolarHBondContact CA-O 3.49Å; M131-V141 HydrophobicContact CB-CG2 4.06Å; M131-V141 HydrophobicContact CG-CG2 3.91Å; M131-V141 HydrophobicContact SD-CG2 4.44Å; M131-V170 HydrophobicContact CE-CG1 4.32Å; M131-V170 HydrophobicContact CG-CG1 4.49Å; M131-V170 HydrophobicContact SD-CG1 3.75Å; M131-F182 HydrophobicContact CB-CD1 3.63Å; M131-F182 HydrophobicContact CB-CD2 4.11Å; M131-F182 HydrophobicContact CB-CE1 3.6Å; M131-F182 HydrophobicContact CB-CE2 4.08Å; M131-F182 HydrophobicContact CB-CG 3.89Å; M131-F182 HydrophobicContact CB-CZ 3.83Å; M131-F182 HydrophobicContact CG-CD1 4.49Å; M131-F182 HydrophobicContact CG-CG 4.38Å; M131-F182 HydrophobicContact SD-CB 3.37Å; M131-F182 WeakPolarHBondContact SD-CB 3.47Å; M131-F182 HydrophobicContact SD-CD1 4.02Å; M131-F182 HydrophobicContact SD-CD2 3.96Å; M131-F182 HydrophobicContact SD-CG 3.52Å; M131-F182 VanDerWaalsContact SD-CG 3.52Å |
| 132 | I | 98.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 9% | 0.087 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 128.7 | 174.2 | -168.6 | 170.8 | 0 | 0 | 0 | 109.6 | I87 F107 P117 L121 L140 Y142 | I87-I132 HydrophobicContact CB-CD1 4.2Å; I87-I132 HydrophobicContact CD1-CB 4.42Å; I87-I132 HydrophobicContact CD1-CD1 4.23Å; I87-I132 HydrophobicContact CD1-CG2 4.49Å; I87-I132 HydrophobicContact CG1-CD1 4.33Å; F107-I132 HydrophobicContact CE1-CD1 3.87Å; F107-I132 HydrophobicContact CZ-CD1 3.83Å; P117-I132 HydrophobicContact CB-CB 4.47Å; P117-I132 HydrophobicContact CB-CG1 3.97Å; P117-I132 HydrophobicContact CB-CG2 4.11Å; L121-I132 HydrophobicContact CD1-CB 4.02Å; L121-I132 HydrophobicContact CD1-CD1 4.48Å; L121-I132 HydrophobicContact CD1-CG1 4.17Å; I132-L140 HydrophobicContact CG2-CB 3.94Å; I132-L140 PolarHBondContact N-O 3.04Å; I132-L140 PolarHBondContact O-N 2.88Å; I132-Y142 HydrophobicContact CG2-CD2 4.48Å; I132-Y142 HydrophobicContact CG2-CE2 3.93Å |
| 133 | G | 97.4 | Very high | 97.4 | Very high | 1 Ų | 1 | 18.3 Ų | 18.3 | 1% | 0.01 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 147.2 | -172.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | G118 Q119 F120 | G118-G133 PolarHBondContact N-O 3Å; Q119-G133 PolarHBondContact N-O 2.79Å; F120-G133 PolarHBondContact N-O 3.45Å; F120-G133 VanDerWaalsContact N-O 3.15Å; F120-G133 PolarHBondContact O-N 3.08Å |
| 134 | A | 98.1 | Very high | 97.3 | Very high | 0 Ų | 0 | 17.7 Ų | 17.7 | 0% | 0 | 9% | 0.087 | C | C | . | . | trans | -89 | 173 | 165.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | I115 P117 E136 Q138 | I115-A134 VanDerWaalsContact C-CB 3.42Å; I115-A134 WeakPolarHBondContact O-CB 3.31Å; P117-A134 HydrophobicContact CG-CB 4.36Å; A134-E136 WeakPolarHBondContact CB-O 3.21Å; A134-E136 PolarHBondContact O-N 2.99Å; A134-Q138 HydrophobicContact CB-CB 4.46Å; A134-Q138 WeakPolarHBondContact CB-O 3.02Å; A134-Q138 PolarHBondContact N-O 2.95Å | ||
| 135 | I | 98.3 | Very high | 97.2 | Very high | 63 Ų | 63 | 22.5 Ų | 22.5 | 32% | 0.323 | 11% | 0.113 | S | C | . | . | S | Bend | trans | -67.8 | -32.2 | 172.5 | -62.7 | 170.8 | 0 | 0 | 0 | 110.4 | R114 Q119 F120 L166 V167 | R114-I135 PolarHBondContact O-N 2.89Å; Q119-I135 HydrophobicContact CB-CG1 4.02Å; Q119-I135 HydrophobicContact CG-CD1 4.3Å; Q119-I135 HydrophobicContact CG-CG1 3.82Å; F120-I135 HydrophobicContact CE2-CG1 4.38Å; I135-L166 CarbonylContact O-C 3.57Å; I135-L166 WeakPolarHBondContact O-CA 3.35Å; I135-V167 PolarHBondContact O-N 3.3Å |
| 136 | E | 97.9 | Very high | 97.1 | Very high | 18 Ų | 18 | 27.2 Ų | 27.2 | 8% | 0.084 | 12% | 0.124 | C | C | . | . | B | Isolated β-bridge | trans | -135.3 | 145.7 | 178.3 | -167.3 | -154.2 | 137.3 | 0 | 0 | 110.8 | R114 I115 A134 Q138 T165 L166 Y189 | R114-E136 HydrophobicContact CG-CB 4.17Å; R114-E136 IonicContact CZ-OE2 3.79Å; R114-E136 IonicContact NE-OE2 2.67Å; R114-E136 PolarHBondContact NE-OE2 2.75Å; R114-E136 IonicContact NH2-OE2 3.23Å; R114-E136 PolarHBondContact NH2-OE2 3.41Å; R114-E136 PolarHBondContact O-N 2.89Å; I115-E136 HydrophobicContact CG2-CB 4.39Å; A134-E136 WeakPolarHBondContact CB-O 3.21Å; A134-E136 PolarHBondContact O-N 2.99Å; E136-Q138 VanDerWaalsContact C-N 3.29Å; E136-Q138 PolarHBondContact O-N 3.3Å; E136-T165 WeakPolarHBondContact CA-O 3.23Å; E136-T165 WeakPolarHBondContact CG-O 3.45Å; E136-L166 HydrophobicContact CB-CD2 4.3Å; E136-L166 HydrophobicContact CG-CD2 4.23Å; E136-Y189 HydrophobicContact CG-CE1 4.27Å; E136-Y189 PolarHBondContact OE1-OH 3.39Å; E136-Y189 VanDerWaalsContact OE1-OH 3.13Å |
| 137 | K | 97 | Very high | 96.9 | Very high | 83 Ų | 83 | 28.6 Ų | 28.6 | 36% | 0.361 | 13% | 0.133 | S | C | . | . | S | Bend | trans | 69.5 | -63.9 | 163.6 | -177.3 | -178.8 | -179.3 | 178.7 | 0 | 116.9 | H161 K162 T165 | K137-H161 WeakPolarHBondContact O-CA 3.39Å; K137-K162 WeakPolarHBondContact CA-O 3.49Å; K137-K162 PolarHBondContact O-N 2.84Å; K137-T165 PolarHBondContact N-O 2.89Å |
| 138 | Q | 97.9 | Very high | 96.7 | Very high | 50 Ų | 50 | 34 Ų | 34 | 23% | 0.234 | 18% | 0.178 | C | C | . | . | trans | -89.1 | 129.5 | -169 | -60.4 | -166.1 | -46.3 | 0 | 0 | 112.2 | I115 P117 A134 E136 H161 | I115-Q138 VanDerWaalsContact O-CB 3.3Å; I115-Q138 WeakPolarHBondContact O-CB 3.35Å; I115-Q138 WeakPolarHBondContact O-CG 3.46Å; I115-Q138 PolarHBondContact O-OE1 2.9Å; P117-Q138 HydrophobicContact CG-CB 3.94Å; A134-Q138 HydrophobicContact CB-CB 4.46Å; A134-Q138 WeakPolarHBondContact CB-O 3.02Å; A134-Q138 PolarHBondContact N-O 2.95Å; E136-Q138 VanDerWaalsContact C-N 3.29Å; E136-Q138 PolarHBondContact O-N 3.3Å; Q138-H161 PolarHBondContact NE2-NE2 2.73Å | ||
| 139 | K | 98.3 | Very high | 96.4 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 138.5 | 169.9 | -65.2 | 168.1 | -106 | -110.8 | 0 | 108.4 | M131 A160 H161 V167 E186 Y211 | M131-K139 HydrophobicContact CE-CB 3.56Å; M131-K139 HydrophobicContact CE-CD 3.25Å; M131-K139 HydrophobicContact CE-CG 3.6Å; K139-A160 HydrophobicContact CB-CB 4Å; K139-A160 WeakPolarHBondContact CE-O 3.41Å; K139-A160 PolarHBondContact O-N 3.39Å; K139-H161 PolarHBondContact N-ND1 3.16Å; K139-H161 PolarHBondContact O-CE1 3.04Å; K139-H161 PolarHBondContact O-ND1 2.92Å; K139-V167 VanDerWaalsContact NZ-CG2 3.34Å; K139-E186 WeakPolarHBondContact CE-OE1 3.24Å; K139-E186 IonicContact NZ-OE1 3.2Å; K139-E186 PolarHBondContact NZ-OE1 2.69Å; K139-Y211 HydrophobicContact CD-CE2 4.37Å; K139-Y211 WeakPolarHBondContact CE-OH 3.42Å |
| 140 | L | 98.3 | Very high | 95.9 | Very high | 12 Ų | 12 | 38.9 Ų | 38.9 | 6% | 0.063 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 139.1 | -179.5 | -61.4 | 174.2 | 0 | 0 | 0 | 109.9 | F107 P117 M131 I132 Y142 P157 L158 E159 | F107-L140 HydrophobicContact CB-CD1 3.49Å; F107-L140 VanDerWaalsContact CB-CD1 3.49Å; F107-L140 HydrophobicContact CD2-CD1 3.96Å; F107-L140 HydrophobicContact CG-CD1 3.75Å; P117-L140 HydrophobicContact CG-CD1 4.15Å; P117-L140 HydrophobicContact CG-CG 4.29Å; M131-L140 CarbonylContact C-O 3.54Å; M131-L140 WeakPolarHBondContact CA-O 3.49Å; I132-L140 HydrophobicContact CG2-CB 3.94Å; I132-L140 PolarHBondContact N-O 3.04Å; I132-L140 PolarHBondContact O-N 2.88Å; L140-Y142 HydrophobicContact CB-CE2 4.25Å; L140-P157 HydrophobicContact CB-CB 4.33Å; L140-P157 HydrophobicContact CD2-CB 4.27Å; L140-L158 CarbonylContact C-O 3.5Å; L140-L158 WeakPolarHBondContact CA-O 3.28Å; L140-E159 HydrophobicContact CD2-CG 3.99Å |
| 141 | V | 98.5 | Very high | 95.6 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 131.5 | 178.4 | -177.2 | 0 | 0 | 0 | 0 | 109.8 | A129 V130 M131 P157 L158 F182 L213 V220 | A129-V141 HydrophobicContact CB-CG1 4.28Å; V130-V141 CarbonylContact O-C 3.55Å; V130-V141 WeakPolarHBondContact O-CA 3.44Å; M131-V141 HydrophobicContact CB-CG2 4.06Å; M131-V141 HydrophobicContact CG-CG2 3.91Å; M131-V141 HydrophobicContact SD-CG2 4.44Å; V141-P157 CarbonylContact O-C 3.41Å; V141-P157 WeakPolarHBondContact O-CA 3.16Å; V141-L158 HydrophobicContact CB-CB 4.44Å; V141-L158 PolarHBondContact N-O 2.81Å; V141-L158 PolarHBondContact O-N 3.31Å; V141-F182 HydrophobicContact CG1-CE2 3.93Å; V141-F182 HydrophobicContact CG1-CZ 4.45Å; V141-F182 HydrophobicContact CG2-CE2 4.37Å; V141-L213 HydrophobicContact CG1-CD1 4.37Å; V141-L213 HydrophobicContact CG1-CD2 4.01Å; V141-V220 HydrophobicContact CB-CG2 3.93Å; V141-V220 HydrophobicContact CG1-CG2 4.4Å; V141-V220 HydrophobicContact CG2-CG2 3.81Å |
| 142 | Y | 98.3 | Very high | 95.4 | Very high | 1 Ų | 1 | 47.8 Ų | 47.8 | 0% | 0.004 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 136.8 | 175.2 | -63.7 | -96.4 | 0 | 0 | 0 | 109.6 | I87 E105 F107 A129 V130 I132 L140 I154 S155 P157 | I87-Y142 HydrophobicContact CD1-CD2 4.24Å; I87-Y142 HydrophobicContact CD1-CE2 4.31Å; I87-Y142 HydrophobicContact CG2-CE1 4.36Å; I87-Y142 HydrophobicContact CG2-CE2 3.93Å; E105-Y142 HydrophobicContact CB-CE1 4Å; E105-Y142 HydrophobicContact CG-CE1 4.27Å; F107-Y142 WeakPolarHBondContact CD1-OH 3.36Å; A129-Y142 CarbonylContact C-O 3.53Å; A129-Y142 VanDerWaalsContact CA-O 3.23Å; A129-Y142 WeakPolarHBondContact CA-O 3.21Å; V130-Y142 PolarHBondContact N-O 2.98Å; V130-Y142 PolarHBondContact O-N 2.83Å; I132-Y142 HydrophobicContact CG2-CD2 4.48Å; I132-Y142 HydrophobicContact CG2-CE2 3.93Å; L140-Y142 HydrophobicContact CB-CE2 4.25Å; Y142-I154 HydrophobicContact CD1-CD1 3.66Å; Y142-I154 HydrophobicContact CD1-CG1 3.79Å; Y142-I154 HydrophobicContact CE1-CD1 4.35Å; Y142-I154 HydrophobicContact CG-CD1 3.92Å; Y142-I154 HydrophobicContact CG-CG1 4.17Å; Y142-S155 WeakPolarHBondContact CD1-O 3.42Å; Y142-P157 HydrophobicContact CD1-CB 4.27Å; Y142-P157 HydrophobicContact CE1-CB 3.71Å; Y142-P157 HydrophobicContact CE1-CG 4.16Å; Y142-P157 HydrophobicContact CE2-CB 4.22Å |
| 143 | I | 97.9 | Very high | 95.2 | Very high | 17 Ų | 17 | 50.2 Ų | 50.2 | 9% | 0.087 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 135.2 | 173.9 | -57.8 | 171.5 | 0 | 0 | 0 | 108.4 | S155 L158 L213 L215 N218 | I143-S155 WeakPolarHBondContact CB-OG 3.48Å; I143-S155 PolarHBondContact N-OG 3.37Å; I143-S155 PolarHBondContact O-N 2.93Å; I143-L158 HydrophobicContact CD1-CD1 4.24Å; I143-L213 HydrophobicContact CG1-CD2 4.08Å; I143-L215 HydrophobicContact CD1-CD2 4.29Å; I143-L215 HydrophobicContact CG1-CD2 4.48Å; I143-L215 HydrophobicContact CG2-CD2 4.36Å; I143-N218 WeakPolarHBondContact CD1-OD1 3.32Å |
| 144 | L | 96.6 | Very high | 95.2 | Very high | 2 Ų | 2 | 51.6 Ų | 51.6 | 1% | 0.01 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 121.2 | -178.9 | -56.5 | 176.5 | 0 | 0 | 0 | 108.7 | F68 L70 I89 R128 V130 L152 I154 | F68-L144 HydrophobicContact CD2-CD1 3.93Å; F68-L144 HydrophobicContact CE1-CD1 4.16Å; F68-L144 HydrophobicContact CE2-CD1 3.56Å; F68-L144 HydrophobicContact CG-CD1 4.4Å; F68-L144 HydrophobicContact CZ-CD1 3.68Å; L70-L144 HydrophobicContact CD2-CB 4.47Å; I89-L144 HydrophobicContact CD1-CD2 3.79Å; R128-L144 PolarHBondContact O-N 2.79Å; V130-L144 HydrophobicContact CB-CD1 4.11Å; V130-L144 HydrophobicContact CG1-CD1 4.02Å; V130-L144 HydrophobicContact CG1-CD2 4.18Å; V130-L144 HydrophobicContact CG1-CG 4.22Å; L144-L152 HydrophobicContact CB-CD1 4.19Å; L144-L152 HydrophobicContact CD2-CD1 4.36Å; L144-I154 HydrophobicContact CD2-CB 4.48Å; L144-I154 HydrophobicContact CD2-CD1 4.37Å; L144-I154 HydrophobicContact CD2-CG1 4.07Å |
| 145 | N | 94.1 | Very high | 95.1 | Very high | 102 Ų | 102 | 53.3 Ų | 53.3 | 55% | 0.545 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 172.6 | 179.3 | -89.9 | -41.8 | 0 | 0 | 0 | 110.6 | L152 T153 | N145-L152 CarbonylContact O-C 3.52Å; N145-T153 PolarHBondContact N-O 2.69Å; N145-T153 PolarHBondContact O-N 2.98Å; N145-T153 PolarHBondContact O-OG1 2.95Å |
| 146 | R | 91.6 | Very high | 95 | Very high | 152 Ų | 152 | 55 Ų | 55 | 57% | 0.574 | 31% | 0.309 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 141.5 | 171.2 | 64.8 | -178.5 | -179.5 | 176.7 | -0.7 | 111 | L70 R151 | L70-R146 HydrophobicContact CD1-CB 4.38Å; R146-R151 VanDerWaalsContact CA-O 3.26Å; R146-R151 WeakPolarHBondContact CA-O 3.42Å |
| 147 | D | 91.8 | Very high | 95 | Very high | 67 Ų | 67 | 56.5 Ų | 56.5 | 36% | 0.358 | 32% | 0.321 | S | S | . | . | trans | -80.4 | -178.6 | 172.3 | 74.7 | 0.7 | 0 | 0 | 0 | 112 | A149 A150 R151 T153 | D147-A149 PolarHBondContact O-N 2.8Å; D147-A149 VanDerWaalsContact OD1-C 3.22Å; D147-A149 VanDerWaalsContact OD1-CA 3.28Å; D147-A149 WeakPolarHBondContact OD1-CA 3.27Å; D147-A149 WeakPolarHBondContact OD1-CB 3.44Å; D147-A149 PolarHBondContact OD1-N 3Å; D147-A150 PolarHBondContact O-N 3.21Å; D147-A150 PolarHBondContact OD1-N 2.91Å; D147-R151 PolarHBondContact N-O 3.48Å; D147-R151 PolarHBondContact OD1-N 2.87Å; D147-T153 HydrophobicContact CB-CG2 4.08Å | ||
| 148 | A | 89.9 | Confident | 95 | Very high | 117 Ų | 117 | 53.9 Ų | 53.9 | 97% | 0.967 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | -20.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | A150 | A148-A150 VanDerWaalsContact C-N 3.28Š|
| 149 | A | 89.3 | Confident | 94.9 | Very high | 67 Ų | 67 | 58 Ų | 58 | 55% | 0.554 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.4 | 10.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | D147 R151 | D147-A149 PolarHBondContact O-N 2.8Å; D147-A149 VanDerWaalsContact OD1-C 3.22Å; D147-A149 VanDerWaalsContact OD1-CA 3.28Å; D147-A149 WeakPolarHBondContact OD1-CA 3.27Å; D147-A149 WeakPolarHBondContact OD1-CB 3.44Å; D147-A149 PolarHBondContact OD1-N 3Å; A149-R151 HydrophobicContact CB-CG 4.34Å; A149-R151 PolarHBondContact O-N 3.44Å |
| 150 | A | 88.3 | Confident | 94.8 | Very high | 65 Ų | 65 | 58.5 Ų | 58.5 | 54% | 0.537 | 33% | 0.333 | S | S | . | . | trans | 59.9 | 20.1 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | D147 A148 | D147-A150 PolarHBondContact O-N 3.21Å; D147-A150 PolarHBondContact OD1-N 2.91Å; A148-A150 VanDerWaalsContact C-N 3.28Å | ||
| 151 | R | 90.5 | Very high | 94.7 | Very high | 181 Ų | 181 | 61.1 Ų | 61.1 | 68% | 0.683 | 35% | 0.345 | S | S | * | . | trans | -81.7 | 140.3 | 172.8 | -63.9 | -177.2 | 175.4 | -145.3 | -3.3 | 109.8 | R146 D147 A149 | R146-R151 VanDerWaalsContact CA-O 3.26Å; R146-R151 WeakPolarHBondContact CA-O 3.42Å; D147-R151 PolarHBondContact N-O 3.48Å; D147-R151 PolarHBondContact OD1-N 2.87Å; A149-R151 HydrophobicContact CB-CG 4.34Å; A149-R151 PolarHBondContact O-N 3.44Å | ||
| 152 | L | 95.1 | Very high | 94.6 | Very high | 5 Ų | 5 | 64.8 Ų | 64.8 | 3% | 0.026 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.3 | 137.6 | 171.4 | 175.9 | 67.8 | 0 | 0 | 0 | 110 | F68 L70 Y77 I89 V102 H103 L144 N145 | F68-L152 HydrophobicContact CE2-CD1 4.31Å; F68-L152 HydrophobicContact CZ-CD1 4.2Å; F68-L152 HydrophobicContact CZ-CD2 3.91Å; L70-L152 HydrophobicContact CD1-CB 4.36Å; L70-L152 HydrophobicContact CD1-CD1 3.98Å; L70-L152 HydrophobicContact CD2-CD1 3.83Å; L70-L152 HydrophobicContact CG-CD1 4.27Å; Y77-L152 HydrophobicContact CD1-CD2 4.2Å; Y77-L152 HydrophobicContact CE1-CB 4.42Å; Y77-L152 HydrophobicContact CE1-CD2 4.32Å; Y77-L152 HydrophobicContact CG-CD2 4.41Å; I89-L152 HydrophobicContact CB-CD2 4.32Å; I89-L152 HydrophobicContact CD1-CD2 3.94Å; I89-L152 HydrophobicContact CG2-CD2 3.65Å; V102-L152 HydrophobicContact CG1-CB 4.41Å; H103-L152 PolarHBondContact NE2-O 2.81Å; L144-L152 HydrophobicContact CB-CD1 4.19Å; L144-L152 HydrophobicContact CD2-CD1 4.36Å; N145-L152 CarbonylContact O-C 3.52Å |
| 153 | T | 95.3 | Very high | 94.5 | Very high | 52 Ų | 52 | 66.9 Ų | 66.9 | 32% | 0.319 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 139.7 | 172 | 59.8 | 0 | 0 | 0 | 0 | 109.5 | N145 D147 | N145-T153 PolarHBondContact N-O 2.69Å; N145-T153 PolarHBondContact O-N 2.98Å; N145-T153 PolarHBondContact O-OG1 2.95Å; D147-T153 HydrophobicContact CB-CG2 4.08Å |
| 154 | I | 96.6 | Very high | 94.4 | Very high | 30 Ų | 30 | 68.4 Ų | 68.4 | 15% | 0.154 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 140.8 | 177.6 | -165.8 | 168.3 | 0 | 0 | 0 | 110.4 | I89 H103 E105 Y142 L144 | I89-I154 HydrophobicContact CD1-CD1 4.06Å; H103-I154 HydrophobicContact CB-CG2 4.25Å; E105-I154 HydrophobicContact CG-CD1 3.98Å; E105-I154 HydrophobicContact CG-CG2 3.77Å; Y142-I154 HydrophobicContact CD1-CD1 3.66Å; Y142-I154 HydrophobicContact CD1-CG1 3.79Å; Y142-I154 HydrophobicContact CE1-CD1 4.35Å; Y142-I154 HydrophobicContact CG-CD1 3.92Å; Y142-I154 HydrophobicContact CG-CG1 4.17Å; L144-I154 HydrophobicContact CD2-CB 4.48Å; L144-I154 HydrophobicContact CD2-CD1 4.37Å; L144-I154 HydrophobicContact CD2-CG1 4.07Å |
| 155 | S | 96.2 | Very high | 94.5 | Very high | 36 Ų | 36 | 68.5 Ų | 68.5 | 25% | 0.252 | 39% | 0.388 | S | S | . | . | trans | -83 | 174 | 176 | 73.2 | 0 | 0 | 0 | 0 | 112.8 | Y142 I143 | Y142-S155 WeakPolarHBondContact CD1-O 3.42Å; I143-S155 WeakPolarHBondContact CB-OG 3.48Å; I143-S155 PolarHBondContact N-OG 3.37Å; I143-S155 PolarHBondContact O-N 2.93Å | ||
| 156 | S | 96.1 | Very high | 94.7 | Very high | 97 Ų | 97 | 65.7 Ų | 65.7 | 68% | 0.678 | 37% | 0.373 | S | S | * | . | P | Polyproline II helix | trans | -61.8 | 151.2 | 160.5 | -56.9 | 0 | 0 | 0 | 0 | 111 | ||
| 157 | P | 97.3 | Very high | 95 | Very high | 51 Ų | 51 | 58.7 Ų | 58.7 | 33% | 0.331 | 35% | 0.347 | S | S | . | . | P | Polyproline II helix | trans | -70.8 | 139.9 | -180 | 27.4 | -33.1 | 0 | 0 | 0 | 111.8 | L140 V141 Y142 | L140-P157 HydrophobicContact CB-CB 4.33Å; L140-P157 HydrophobicContact CD2-CB 4.27Å; V141-P157 CarbonylContact O-C 3.41Å; V141-P157 WeakPolarHBondContact O-CA 3.16Å; Y142-P157 HydrophobicContact CD1-CB 4.27Å; Y142-P157 HydrophobicContact CE1-CB 3.71Å; Y142-P157 HydrophobicContact CE1-CG 4.16Å; Y142-P157 HydrophobicContact CE2-CB 4.22Å |
| 158 | L | 97.6 | Very high | 95.3 | Very high | 27 Ų | 27 | 59.8 Ų | 59.8 | 14% | 0.141 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 131.8 | 169.3 | -59.5 | 175.2 | 0 | 0 | 0 | 109.5 | L140 V141 I143 L213 N218 V220 | L140-L158 CarbonylContact C-O 3.5Å; L140-L158 WeakPolarHBondContact CA-O 3.28Å; V141-L158 HydrophobicContact CB-CB 4.44Å; V141-L158 PolarHBondContact N-O 2.81Å; V141-L158 PolarHBondContact O-N 3.31Å; I143-L158 HydrophobicContact CD1-CD1 4.24Å; L158-L213 HydrophobicContact CD1-CD1 3.36Å; L158-N218 WeakPolarHBondContact CD2-O 3.37Å; L158-V220 HydrophobicContact CB-CG2 3.94Å; L158-V220 HydrophobicContact CD1-CG2 4.25Å |
| 159 | E | 95.9 | Very high | 95.7 | Very high | 138 Ų | 138 | 56.6 Ų | 56.6 | 65% | 0.645 | 31% | 0.312 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 132.6 | -175.7 | -63.7 | -179.2 | 175.3 | 0 | 0 | 111.7 | L140 | L140-E159 HydrophobicContact CD2-CG 3.99Å |
| 160 | A | 95.9 | Very high | 96.1 | Very high | 9 Ų | 9 | 53.7 Ų | 53.7 | 7% | 0.074 | 29% | 0.287 | C | S | . | . | trans | -125.7 | 49.1 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | K139 Y211 V220 | K139-A160 HydrophobicContact CB-CB 4Å; K139-A160 WeakPolarHBondContact CE-O 3.41Å; K139-A160 PolarHBondContact O-N 3.39Å; A160-Y211 HydrophobicContact CB-CD1 3.94Å; A160-Y211 HydrophobicContact CB-CE1 4.04Å; A160-V220 HydrophobicContact CB-CB 4.31Å; A160-V220 HydrophobicContact CB-CG1 3.9Å | ||
| 161 | H | 96.1 | Very high | 96.6 | Very high | 68 Ų | 68 | 51.2 Ų | 51.2 | 32% | 0.315 | 27% | 0.265 | S | S | . | . | trans | -77.7 | 138.4 | -172.6 | -66.4 | -0.1 | 0 | 0 | 0 | 112.7 | K137 Q138 K139 | K137-H161 WeakPolarHBondContact O-CA 3.39Å; Q138-H161 PolarHBondContact NE2-NE2 2.73Å; K139-H161 PolarHBondContact N-ND1 3.16Å; K139-H161 PolarHBondContact O-CE1 3.04Å; K139-H161 PolarHBondContact O-ND1 2.92Å | ||
| 162 | K | 96.2 | Very high | 96.9 | Very high | 76 Ų | 76 | 42.7 Ų | 42.7 | 33% | 0.33 | 23% | 0.234 | S | C | . | . | trans | -141.4 | 112.4 | 173.7 | 173 | 65.9 | -175.4 | 168.6 | 0 | 110 | K137 T165 D188 | K137-K162 WeakPolarHBondContact CA-O 3.49Å; K137-K162 PolarHBondContact O-N 2.84Å; K162-T165 HydrophobicContact CG-CG2 4.46Å; K162-T165 WeakPolarHBondContact CG-OG1 3.36Å; K162-D188 IonicContact NZ-OD2 2.64Å | ||
| 163 | A | 96.3 | Very high | 97 | Very high | 46 Ų | 46 | 42.5 Ų | 42.5 | 38% | 0.38 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63 | 152.7 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | T165 | A163-T165 PolarHBondContact O-N 2.99Å; A163-T165 VanDerWaalsContact O-N 3.09Å; A163-T165 PolarHBondContact O-OG1 2.67Å |
| 164 | N | 96.8 | Very high | 97 | Very high | 49 Ų | 49 | 40.4 Ų | 40.4 | 26% | 0.262 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59.4 | 20.5 | 174.4 | -57.9 | 79.4 | 0 | 0 | 0 | 114.8 | D188 Y189 E190 | N164-D188 WeakPolarHBondContact O-CA 3.35Å; N164-Y189 VanDerWaalsContact C-CE1 3.43Å; N164-Y189 HydrophobicContact CB-CE1 4.29Å; N164-Y189 WeakPolarHBondContact O-CD1 3.35Å; N164-Y189 VanDerWaalsContact O-CE1 3.27Å; N164-Y189 WeakPolarHBondContact O-CE1 3.44Å; N164-Y189 PolarHBondContact O-N 2.78Å; N164-Y189 VanDerWaalsContact O-N 3.13Å; N164-E190 HydrophobicContact CB-CB 3.97Å |
| 165 | T | 97.9 | Very high | 96.9 | Very high | 3 Ų | 3 | 39.7 Ų | 39.7 | 2% | 0.018 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 121.6 | -179.1 | -59.7 | 0 | 0 | 0 | 0 | 111.2 | E136 K137 K162 A163 E186 M187 | E136-T165 WeakPolarHBondContact CA-O 3.23Å; E136-T165 WeakPolarHBondContact CG-O 3.45Å; K137-T165 PolarHBondContact N-O 2.89Å; K162-T165 HydrophobicContact CG-CG2 4.46Å; K162-T165 WeakPolarHBondContact CG-OG1 3.36Å; A163-T165 PolarHBondContact O-N 2.99Å; A163-T165 VanDerWaalsContact O-N 3.09Å; A163-T165 PolarHBondContact O-OG1 2.67Å; T165-E186 HydrophobicContact CG2-CB 3.59Å; T165-E186 HydrophobicContact CG2-CG 3.65Å; T165-M187 WeakPolarHBondContact CA-O 3.49Å |
| 166 | L | 98.1 | Very high | 96.7 | Very high | 43 Ų | 43 | 38.3 Ų | 38.3 | 23% | 0.225 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 143.8 | 169.5 | -60.1 | 175.1 | 0 | 0 | 0 | 109.9 | I135 E136 Y168 E186 M187 Y189 | I135-L166 CarbonylContact O-C 3.57Å; I135-L166 WeakPolarHBondContact O-CA 3.35Å; E136-L166 HydrophobicContact CB-CD2 4.3Å; E136-L166 HydrophobicContact CG-CD2 4.23Å; L166-Y168 HydrophobicContact CB-CE2 4.36Å; L166-E186 CarbonylContact O-C 3.53Å; L166-E186 VanDerWaalsContact O-CA 3.27Å; L166-E186 WeakPolarHBondContact O-CA 3.35Å; L166-M187 PolarHBondContact N-O 3.34Å; L166-M187 PolarHBondContact O-N 3.09Å; L166-Y189 HydrophobicContact CD1-CD1 4.31Å; L166-Y189 HydrophobicContact CD2-CD1 4.32Å; L166-Y189 HydrophobicContact CD2-CE1 4.22Å; L166-Y189 HydrophobicContact CG-CD1 3.88Å; L166-Y189 HydrophobicContact CG-CE1 4.25Å |
| 167 | V | 98.1 | Very high | 96.5 | Very high | 6 Ų | 6 | 40.8 Ų | 40.8 | 4% | 0.036 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 124.7 | 176.1 | -178 | 0 | 0 | 0 | 0 | 108.3 | F120 I135 K139 V170 C184 L185 | F120-V167 HydrophobicContact CD2-CB 4.38Å; F120-V167 HydrophobicContact CD2-CG1 3.98Å; F120-V167 HydrophobicContact CE2-CB 4.2Å; F120-V167 HydrophobicContact CE2-CG1 4.09Å; F120-V167 WeakPolarHBondContact CE2-O 3.29Å; F120-V167 WeakPolarHBondContact CZ-O 3.4Å; I135-V167 PolarHBondContact O-N 3.3Å; K139-V167 VanDerWaalsContact NZ-CG2 3.34Å; V167-V170 HydrophobicContact CG1-CG2 3.52Å; V167-C184 HydrophobicContact CG1-CB 4.34Å; V167-L185 WeakPolarHBondContact CA-O 3.42Å |
| 168 | Y | 97.7 | Very high | 96.3 | Very high | 90 Ų | 90 | 45.2 Ų | 45.2 | 35% | 0.353 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | -41.1 | 179.8 | -77.6 | -111.2 | 0 | 0 | 0 | 112 | F120 L166 L185 M187 Q206 | F120-Y168 WeakPolarHBondContact CE1-O 3.3Å; F120-Y168 WeakPolarHBondContact CZ-O 3.39Å; L166-Y168 HydrophobicContact CB-CE2 4.36Å; Y168-L185 PolarHBondContact N-O 2.9Å; Y168-M187 HydrophobicContact CE2-CB 3.97Å; Y168-M187 HydrophobicContact CE2-SD 4.43Å; Y168-Q206 VanDerWaalsContact CG-NE2 3.25Å |
| 169 | H | 98.4 | Very high | 96.2 | Very high | 50 Ų | 50 | 46 Ų | 46 | 23% | 0.231 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.7 | 153.9 | 178.3 | -164.1 | -112.5 | 0 | 0 | 0 | 110.8 | V171 C184 L185 F234 L235 | H169-V171 WeakPolarHBondContact CE1-CG2 3.47Å; H169-V171 WeakPolarHBondContact ND1-CG2 3.42Å; H169-C184 WeakPolarHBondContact O-CA 3.22Å; H169-C184 WeakPolarHBondContact O-CB 3.47Å; H169-L185 HydrophobicContact CB-CD1 4.5Å; H169-L185 PolarHBondContact O-N 2.85Å; H169-L185 VanDerWaalsContact O-N 3.1Å; H169-F234 HydrophobicContact CB-CB 4.3Å; H169-L235 PolarHBondContact ND1-N 2.8Å; H169-L235 VanDerWaalsContact ND1-N 3.14Å |
| 170 | V | 98 | Very high | 96.3 | Very high | 6 Ų | 6 | 39.4 Ų | 39.4 | 4% | 0.036 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 134.1 | 179.6 | -171.1 | 0 | 0 | 0 | 0 | 109.3 | F120 A122 M131 V167 A183 C184 | F120-V170 HydrophobicContact CB-CB 4.22Å; F120-V170 HydrophobicContact CB-CG2 3.77Å; F120-V170 HydrophobicContact CG-CG2 4.19Å; A122-V170 HydrophobicContact CB-CB 4.27Å; A122-V170 HydrophobicContact CB-CG1 3.7Å; M131-V170 HydrophobicContact CE-CG1 4.32Å; M131-V170 HydrophobicContact CG-CG1 4.49Å; M131-V170 HydrophobicContact SD-CG1 3.75Å; V167-V170 HydrophobicContact CG1-CG2 3.52Å; V170-A183 WeakPolarHBondContact CA-O 3.3Å; V170-C184 HydrophobicContact CB-CB 4.2Å; V170-C184 HydrophobicContact CG1-CB 4.18Å; V170-C184 HydrophobicContact CG2-CB 3.81Å |
| 171 | V | 97.9 | Very high | 96.3 | Very high | 12 Ų | 12 | 39.4 Ų | 39.4 | 7% | 0.073 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 145.4 | 179.7 | 170.6 | 0 | 0 | 0 | 0 | 110.9 | H169 F182 A183 L235 T237 | H169-V171 WeakPolarHBondContact CE1-CG2 3.47Å; H169-V171 WeakPolarHBondContact ND1-CG2 3.42Å; V171-F182 CarbonylContact O-C 3.49Å; V171-F182 WeakPolarHBondContact O-CA 3.33Å; V171-A183 PolarHBondContact N-O 3.01Å; V171-A183 PolarHBondContact O-N 2.9Å; V171-L235 HydrophobicContact CB-CB 4.1Å; V171-L235 HydrophobicContact CB-CD1 4.46Å; V171-L235 HydrophobicContact CG2-CB 3.63Å; V171-L235 WeakPolarHBondContact CG2-O 3.29Å; V171-T237 WeakPolarHBondContact CG1-OG1 3.09Å |
| 172 | G | 97.3 | Very high | 96.4 | Very high | 3 Ų | 3 | 36.1 Ų | 36.1 | 3% | 0.031 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 133 | 171.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | T237 | G172-T237 WeakPolarHBondContact O-CG2 3.46Å; G172-T237 PolarHBondContact O-OG1 2.78Å |
| 173 | V | 97.1 | Very high | 96.5 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 131.2 | -178.9 | -173.4 | 0 | 0 | 0 | 0 | 108.9 | V175 M181 A183 F210 S246 V248 | V173-V175 HydrophobicContact CB-CG1 4.25Å; V173-V175 HydrophobicContact CG1-CG1 3.96Å; V173-V175 PolarHBondContact O-N 3.25Å; V173-V175 VanDerWaalsContact O-N 3.09Å; V173-M181 HydrophobicContact CB-CB 4.07Å; V173-M181 HydrophobicContact CG2-CB 4.24Å; V173-M181 PolarHBondContact N-O 3.34Å; V173-A183 HydrophobicContact CG2-CB 3.8Å; V173-F210 HydrophobicContact CG2-CD1 4.06Å; V173-F210 HydrophobicContact CG2-CE1 3.81Å; V173-S246 WeakPolarHBondContact CG1-OG 3.49Å; V173-V248 HydrophobicContact CG2-CG1 4.17Å |
| 174 | D | 95.6 | Very high | 96.5 | Very high | 8 Ų | 8 | 30.3 Ų | 30.3 | 4% | 0.043 | 15% | 0.147 | C | C | . | . | trans | -78.7 | 95.1 | 177.2 | -167.7 | -4.7 | 0 | 0 | 0 | 109.8 | P125 K126 G176 T237 G240 S246 | P125-D174 HydrophobicContact CB-CB 4.14Å; P125-D174 HydrophobicContact CG-CB 3.84Å; K126-D174 WeakPolarHBondContact CE-OD1 3.4Å; K126-D174 IonicContact NZ-OD1 3.92Å; K126-D174 PolarHBondContact NZ-OD1 2.98Å; K126-D174 IonicContact NZ-OD2 2.65Å; D174-G176 PolarHBondContact OD1-N 3.2Å; D174-T237 HydrophobicContact CB-CG2 4.38Å; D174-G240 VanDerWaalsContact O-CA 3.27Å; D174-G240 WeakPolarHBondContact O-CA 3.42Å; D174-G240 PolarHBondContact OD2-N 3.35Å; D174-S246 VanDerWaalsContact O-CB 3.31Å; D174-S246 WeakPolarHBondContact O-CB 3.48Å; D174-S246 PolarHBondContact O-OG 2.9Å | ||
| 175 | V | 94.1 | Very high | 96.6 | Very high | 15 Ų | 15 | 28 Ų | 28 | 9% | 0.091 | 13% | 0.134 | C | C | . | . | trans | -99.3 | 20.1 | -178.3 | -64.4 | 0 | 0 | 0 | 0 | 112.9 | V173 F177 E178 M181 | V173-V175 HydrophobicContact CB-CG1 4.25Å; V173-V175 HydrophobicContact CG1-CG1 3.96Å; V173-V175 PolarHBondContact O-N 3.25Å; V173-V175 VanDerWaalsContact O-N 3.09Å; V175-F177 PolarHBondContact O-N 3.33Å; V175-F177 VanDerWaalsContact O-N 3.14Å; V175-E178 HydrophobicContact CB-CB 4.19Å; V175-E178 HydrophobicContact CG2-CB 4.23Å; V175-E178 PolarHBondContact O-N 3.33Å; V175-M181 HydrophobicContact CG1-CB 4.17Å; V175-M181 HydrophobicContact CG1-CE 3.67Å; V175-M181 HydrophobicContact CG1-CG 4.24Å | ||
| 176 | G | 91.6 | Very high | 96.6 | Very high | 8 Ų | 8 | 27.9 Ų | 27.9 | 8% | 0.082 | 13% | 0.133 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 65.2 | -115.9 | -172.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | K126 D174 | K126-G176 WeakPolarHBondContact CE-O 3.16Å; K126-G176 WeakPolarHBondContact CG-O 3.16Å; D174-G176 PolarHBondContact OD1-N 3.2Å |
| 177 | F | 92.5 | Very high | 96.5 | Very high | 149 Ų | 149 | 26.9 Ų | 26.9 | 65% | 0.654 | 13% | 0.128 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -113.2 | 7.7 | 178.6 | -70.9 | -78.4 | 0 | 0 | 0 | 114.1 | T71 R128 V175 | T71-F177 HydrophobicContact CG2-CE1 4.09Å; R128-F177 VanDerWaalsContact NH1-C 3.31Å; R128-F177 PolarHBondContact NH1-O 2.76Å; V175-F177 PolarHBondContact O-N 3.33Å; V175-F177 VanDerWaalsContact O-N 3.14Å |
| 178 | E | 93.4 | Very high | 96.5 | Very high | 143 Ų | 143 | 29.2 Ų | 29.2 | 67% | 0.668 | 14% | 0.14 | S | C | * | . | S | Bend | trans | -67.3 | 171.6 | 172 | -67.1 | -59.5 | 147.7 | 0 | 0 | 111.9 | R128 V175 | R128-E178 PolarHBondContact NH1-O 3.48Å; R128-E178 PolarHBondContact NH2-O 2.92Å; V175-E178 HydrophobicContact CB-CB 4.19Å; V175-E178 HydrophobicContact CG2-CB 4.23Å; V175-E178 PolarHBondContact O-N 3.33Å |
| 179 | N | 95.9 | Very high | 96.4 | Very high | 43 Ų | 43 | 26.7 Ų | 26.7 | 23% | 0.23 | 13% | 0.13 | C | C | . | . | S | Bend | trans | -49.8 | 125.9 | 177 | -82.3 | -17.5 | 0 | 0 | 0 | 111.3 | M181 E212 L213 | N179-M181 PolarHBondContact O-N 3.07Å; N179-E212 HydrophobicContact CB-CG 3.87Å; N179-L213 WeakPolarHBondContact CB-O 3.29Å |
| 180 | P | 97 | Very high | 96.3 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 14% | 0.141 | C | C | . | . | P | Polyproline II helix | trans | -54.4 | 136.1 | -178.1 | -25.4 | 32.6 | 0 | 0 | 0 | 112.3 | D124 R128 A129 L213 L215 | D124-P180 HydrophobicContact CB-CB 4.27Å; R128-P180 HydrophobicContact CB-CG 4.4Å; A129-P180 HydrophobicContact CB-CB 4.32Å; A129-P180 HydrophobicContact CB-CG 4.35Å; P180-L213 HydrophobicContact CB-CB 4.31Å; P180-L213 HydrophobicContact CB-CD2 4.43Å; P180-L213 HydrophobicContact CG-CD2 4.23Å; P180-L213 PolarHBondContact O-N 2.84Å; P180-L215 HydrophobicContact CG-CD1 4.27Å |
| 181 | M | 96.8 | Very high | 96.2 | Very high | 9 Ų | 9 | 35.6 Ų | 35.6 | 4% | 0.044 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 142.1 | 177.2 | -69.7 | -152 | -66.6 | 0 | 0 | 111.7 | V173 V175 N179 F210 Y211 E212 K223 F261 | V173-M181 HydrophobicContact CB-CB 4.07Å; V173-M181 HydrophobicContact CG2-CB 4.24Å; V173-M181 PolarHBondContact N-O 3.34Å; V175-M181 HydrophobicContact CG1-CB 4.17Å; V175-M181 HydrophobicContact CG1-CE 3.67Å; V175-M181 HydrophobicContact CG1-CG 4.24Å; N179-M181 PolarHBondContact O-N 3.07Å; M181-F210 HydrophobicContact CE-CD1 4.29Å; M181-F210 HydrophobicContact SD-CD1 4.35Å; M181-Y211 CarbonylContact C-O 3.59Å; M181-Y211 WeakPolarHBondContact CA-O 3.48Å; M181-E212 HydrophobicContact CG-CB 4.34Å; M181-E212 HydrophobicContact CG-CG 4.39Å; M181-K223 HydrophobicContact SD-CD 4.48Å; M181-F261 HydrophobicContact CE-CD1 3.46Å; M181-F261 VanDerWaalsContact CE-CD1 3.46Å; M181-F261 HydrophobicContact CE-CE1 3.38Å; M181-F261 HydrophobicContact CE-CG 4.14Å; M181-F261 HydrophobicContact CE-CZ 4Å |
| 182 | F | 98.1 | Very high | 96.1 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 120.7 | 174.5 | -60.4 | -80.3 | 0 | 0 | 0 | 109.6 | A122 A129 M131 V141 V171 F210 Y211 | A122-F182 HydrophobicContact CB-CD1 3.95Å; A122-F182 HydrophobicContact CB-CE1 4.31Å; A129-F182 HydrophobicContact CB-CE2 4.36Å; A129-F182 HydrophobicContact CB-CZ 4.04Å; M131-F182 HydrophobicContact CB-CD1 3.63Å; M131-F182 HydrophobicContact CB-CD2 4.11Å; M131-F182 HydrophobicContact CB-CE1 3.6Å; M131-F182 HydrophobicContact CB-CE2 4.08Å; M131-F182 HydrophobicContact CB-CG 3.89Å; M131-F182 HydrophobicContact CB-CZ 3.83Å; M131-F182 HydrophobicContact CG-CD1 4.49Å; M131-F182 HydrophobicContact CG-CG 4.38Å; M131-F182 HydrophobicContact SD-CB 3.37Å; M131-F182 WeakPolarHBondContact SD-CB 3.47Å; M131-F182 HydrophobicContact SD-CD1 4.02Å; M131-F182 HydrophobicContact SD-CD2 3.96Å; M131-F182 HydrophobicContact SD-CG 3.52Å; M131-F182 VanDerWaalsContact SD-CG 3.52Å; V141-F182 HydrophobicContact CG1-CE2 3.93Å; V141-F182 HydrophobicContact CG1-CZ 4.45Å; V141-F182 HydrophobicContact CG2-CE2 4.37Å; V171-F182 CarbonylContact O-C 3.49Å; V171-F182 WeakPolarHBondContact O-CA 3.33Å; F182-F210 WeakPolarHBondContact O-CA 3.49Å; F182-Y211 PolarHBondContact N-O 3.22Å; F182-Y211 PolarHBondContact O-N 2.96Å |
| 183 | A | 97.7 | Very high | 96 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 133.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | V170 V171 V173 L208 T209 F210 L235 V248 | V170-A183 WeakPolarHBondContact CA-O 3.3Å; V171-A183 PolarHBondContact N-O 3.01Å; V171-A183 PolarHBondContact O-N 2.9Å; V173-A183 HydrophobicContact CG2-CB 3.8Å; A183-L208 HydrophobicContact CB-CD1 4.29Å; A183-T209 CarbonylContact C-O 3.59Å; A183-T209 WeakPolarHBondContact CA-O 3.37Å; A183-F210 HydrophobicContact CB-CD1 4.12Å; A183-F210 HydrophobicContact CB-CE1 3.95Å; A183-F210 HydrophobicContact CB-CZ 4.21Å; A183-L235 HydrophobicContact CB-CD1 4.23Å; A183-V248 HydrophobicContact CB-CG1 3.89Å |
| 184 | C | 97.3 | Very high | 95.9 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 150.7 | 172.1 | 57.9 | 0 | 0 | 0 | 0 | 113.5 | V167 H169 V170 T209 Y211 | V167-C184 HydrophobicContact CG1-CB 4.34Å; H169-C184 WeakPolarHBondContact O-CA 3.22Å; H169-C184 WeakPolarHBondContact O-CB 3.47Å; V170-C184 HydrophobicContact CB-CB 4.2Å; V170-C184 HydrophobicContact CG1-CB 4.18Å; V170-C184 HydrophobicContact CG2-CB 3.81Å; C184-T209 PolarHBondContact N-O 2.79Å; C184-T209 PolarHBondContact O-N 2.82Å; C184-T209 PolarHBondContact O-OG1 2.89Å; C184-T209 PolarHBondContact SG-OG1 3.03Å; C184-Y211 WeakPolarHBondContact SG-CE2 3.37Å |
| 185 | L | 97.9 | Very high | 95.9 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 113.7 | 175 | -66.7 | -179.5 | 0 | 0 | 0 | 109.5 | V167 Y168 H169 Q206 L208 L228 L235 I250 | V167-L185 WeakPolarHBondContact CA-O 3.42Å; Y168-L185 PolarHBondContact N-O 2.9Å; H169-L185 HydrophobicContact CB-CD1 4.5Å; H169-L185 PolarHBondContact O-N 2.85Å; H169-L185 VanDerWaalsContact O-N 3.1Å; L185-Q206 HydrophobicContact CB-CG 4.28Å; L185-L208 HydrophobicContact CD2-CD1 4.06Å; L185-L228 HydrophobicContact CD2-CD1 3.52Å; L185-L235 HydrophobicContact CD1-CD2 4.18Å; L185-L235 HydrophobicContact CD1-CG 4.19Å; L185-L235 HydrophobicContact CD2-CD2 3.94Å; L185-L235 HydrophobicContact CD2-CG 4.47Å; L185-L235 HydrophobicContact CG-CD1 4.12Å; L185-L235 HydrophobicContact CG-CD2 3.97Å; L185-L235 HydrophobicContact CG-CG 3.98Å; L185-I250 HydrophobicContact CD2-CG2 4.4Å |
| 186 | E | 97.6 | Very high | 96 | Very high | 1 Ų | 1 | 54.7 Ų | 54.7 | 1% | 0.005 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 143.7 | -175.1 | -73.8 | -171 | 174.2 | 0 | 0 | 112.2 | K139 T165 L166 Q206 T207 T209 Y211 R222 | K139-E186 WeakPolarHBondContact CE-OE1 3.24Å; K139-E186 IonicContact NZ-OE1 3.2Å; K139-E186 PolarHBondContact NZ-OE1 2.69Å; T165-E186 HydrophobicContact CG2-CB 3.59Å; T165-E186 HydrophobicContact CG2-CG 3.65Å; L166-E186 CarbonylContact O-C 3.53Å; L166-E186 VanDerWaalsContact O-CA 3.27Å; L166-E186 WeakPolarHBondContact O-CA 3.35Å; E186-Q206 CarbonylContact O-C 3.56Å; E186-T207 PolarHBondContact N-O 3.18Å; E186-T207 PolarHBondContact O-N 2.68Å; E186-T207 PolarHBondContact O-OG1 2.89Å; E186-T207 VanDerWaalsContact O-OG1 3.08Å; E186-T209 HydrophobicContact CB-CG2 4.12Å; E186-T209 HydrophobicContact CG-CG2 4.17Å; E186-T209 WeakPolarHBondContact CG-OG1 3.45Å; E186-T209 PolarHBondContact OE1-OG1 3.27Å; E186-T209 WeakPolarHBondContact OE2-CG2 3.27Å; E186-Y211 WeakPolarHBondContact OE1-CE2 3.17Å; E186-Y211 VanDerWaalsContact OE1-CZ 3.27Å; E186-Y211 PolarHBondContact OE1-OH 2.85Å; E186-R222 IonicContact OE2-CZ 3.48Å; E186-R222 IonicContact OE2-NH1 2.86Å; E186-R222 PolarHBondContact OE2-NH1 2.72Å |
| 187 | M | 97 | Very high | 96.1 | Very high | 22 Ų | 22 | 58.9 Ų | 58.9 | 11% | 0.108 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 125.3 | 170.6 | -173.9 | 178.6 | -80.8 | 0 | 0 | 109.7 | T165 L166 Y168 T204 Q206 H231 | T165-M187 WeakPolarHBondContact CA-O 3.49Å; L166-M187 PolarHBondContact N-O 3.34Å; L166-M187 PolarHBondContact O-N 3.09Å; Y168-M187 HydrophobicContact CE2-CB 3.97Å; Y168-M187 HydrophobicContact CE2-SD 4.43Å; M187-T204 HydrophobicContact CG-CG2 3.75Å; M187-T204 HydrophobicContact SD-CG2 4.37Å; M187-Q206 HydrophobicContact CE-CB 4.07Å; M187-H231 WeakPolarHBondContact CE-NE2 3.29Å |
| 188 | D | 96.8 | Very high | 96.2 | Very high | 54 Ų | 54 | 53.6 Ų | 53.6 | 29% | 0.289 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 125 | 177.3 | -159.5 | -38.3 | 0 | 0 | 0 | 109.3 | K162 N164 E190 T204 | K162-D188 IonicContact NZ-OD2 2.64Å; N164-D188 WeakPolarHBondContact O-CA 3.35Å; D188-E190 WeakPolarHBondContact OD1-CB 3.44Å; D188-E190 PolarHBondContact OD1-N 2.77Å; D188-T204 WeakPolarHBondContact O-CG2 3.43Å |
| 189 | Y | 96.8 | Very high | 96.2 | Very high | 38 Ų | 38 | 53.2 Ų | 53.2 | 15% | 0.149 | 29% | 0.292 | C | S | . | . | trans | -110.1 | 7.5 | -177.9 | 70.1 | -88.1 | 0 | 0 | 0 | 113 | R114 E136 N164 L166 E191 A192 D193 | R114-Y189 PolarHBondContact NH2-OH 2.94Å; R114-Y189 VanDerWaalsContact NH2-OH 3.1Å; E136-Y189 HydrophobicContact CG-CE1 4.27Å; E136-Y189 PolarHBondContact OE1-OH 3.39Å; E136-Y189 VanDerWaalsContact OE1-OH 3.13Å; N164-Y189 VanDerWaalsContact C-CE1 3.43Å; N164-Y189 HydrophobicContact CB-CE1 4.29Å; N164-Y189 WeakPolarHBondContact O-CD1 3.35Å; N164-Y189 VanDerWaalsContact O-CE1 3.27Å; N164-Y189 WeakPolarHBondContact O-CE1 3.44Å; N164-Y189 PolarHBondContact O-N 2.78Å; N164-Y189 VanDerWaalsContact O-N 3.13Å; L166-Y189 HydrophobicContact CD1-CD1 4.31Å; L166-Y189 HydrophobicContact CD2-CD1 4.32Å; L166-Y189 HydrophobicContact CD2-CE1 4.22Å; L166-Y189 HydrophobicContact CG-CD1 3.88Å; L166-Y189 HydrophobicContact CG-CE1 4.25Å; Y189-E191 PolarHBondContact O-N 2.67Å; Y189-A192 PolarHBondContact O-N 3.37Å; Y189-D193 WeakPolarHBondContact CD2-OD2 3.39Å; Y189-D193 WeakPolarHBondContact CE2-OD2 3.48Å; Y189-D193 PolarHBondContact O-N 3.47Å | ||
| 190 | E | 96.8 | Very high | 96 | Very high | 97 Ų | 97 | 52.1 Ų | 52.1 | 45% | 0.453 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -60.1 | -42.9 | -179.3 | -174.9 | 173.1 | -170.4 | 0 | 0 | 112.3 | N164 D188 N194 | N164-E190 HydrophobicContact CB-CB 3.97Å; D188-E190 WeakPolarHBondContact OD1-CB 3.44Å; D188-E190 PolarHBondContact OD1-N 2.77Å; E190-N194 PolarHBondContact O-N 3.27Å; E190-N194 PolarHBondContact O-ND2 2.92Å |
| 191 | E | 94.7 | Very high | 95.8 | Very high | 146 Ų | 146 | 55 Ų | 55 | 68% | 0.682 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -68.9 | -39.2 | 178.2 | -64.4 | -172.5 | 175.5 | 0 | 0 | 111.8 | Y189 D193 N194 D195 A200 | Y189-E191 PolarHBondContact O-N 2.67Å; E191-D193 PolarHBondContact O-N 3.16Å; E191-N194 PolarHBondContact O-N 3.45Å; E191-D195 WeakPolarHBondContact O-CB 3.44Å; E191-D195 PolarHBondContact O-N 2.82Å; E191-A200 HydrophobicContact CB-CB 4.35Å |
| 192 | A | 95.4 | Very high | 95.5 | Very high | 24 Ų | 24 | 58.5 Ų | 58.5 | 20% | 0.198 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -63.2 | -41.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y189 N194 D195 A201 | Y189-A192 PolarHBondContact O-N 3.37Å; A192-N194 VanDerWaalsContact C-N 3.28Å; A192-N194 PolarHBondContact O-N 2.52Å; A192-D195 PolarHBondContact O-N 2.98Å; A192-A201 HydrophobicContact CB-CB 3.98Å |
| 193 | D | 95.6 | Very high | 95.2 | Very high | 119 Ų | 119 | 64.4 Ų | 64.4 | 64% | 0.636 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -69.1 | -27 | 177.8 | -88.1 | 2.4 | 0 | 0 | 0 | 112.8 | Y189 E191 | Y189-D193 WeakPolarHBondContact CD2-OD2 3.39Å; Y189-D193 WeakPolarHBondContact CE2-OD2 3.48Å; Y189-D193 PolarHBondContact O-N 3.47Å; E191-D193 PolarHBondContact O-N 3.16Å |
| 194 | N | 95.4 | Very high | 95 | Very high | 123 Ų | 123 | 65.7 Ų | 65.7 | 66% | 0.658 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -93.6 | -1.6 | -178 | -71.3 | -56.2 | 0 | 0 | 0 | 113.6 | E190 E191 A192 P196 | E190-N194 PolarHBondContact O-N 3.27Å; E190-N194 PolarHBondContact O-ND2 2.92Å; E191-N194 PolarHBondContact O-N 3.45Å; A192-N194 VanDerWaalsContact C-N 3.28Å; A192-N194 PolarHBondContact O-N 2.52Å; N194-P196 WeakPolarHBondContact O-CD 3.17Å |
| 195 | D | 96.1 | Very high | 94.8 | Very high | 37 Ų | 37 | 70.6 Ų | 70.6 | 20% | 0.198 | 41% | 0.406 | C | S | . | . | trans | -110.8 | 101.6 | -179.1 | 175.9 | 26.6 | 0 | 0 | 0 | 112.4 | E191 A192 T197 G198 E199 A200 | E191-D195 WeakPolarHBondContact O-CB 3.44Å; E191-D195 PolarHBondContact O-N 2.82Å; A192-D195 PolarHBondContact O-N 2.98Å; D195-T197 PolarHBondContact O-N 2.84Å; D195-T197 VanDerWaalsContact OD1-CB 3.31Å; D195-T197 WeakPolarHBondContact OD1-CB 3.09Å; D195-T197 WeakPolarHBondContact OD1-CG2 3.33Å; D195-T197 PolarHBondContact OD1-N 2.76Å; D195-T197 PolarHBondContact OD1-OG1 3.28Å; D195-T197 PolarHBondContact OD2-OG1 2.9Å; D195-G198 PolarHBondContact O-N 2.85Å; D195-G198 PolarHBondContact OD2-N 2.93Å; D195-E199 PolarHBondContact OD2-N 2.96Å; D195-E199 VanDerWaalsContact OD2-N 3.1Å; D195-A200 HydrophobicContact CB-CB 3.69Å; D195-A200 WeakPolarHBondContact OD2-CB 3.42Å; D195-A200 PolarHBondContact OD2-N 2.8Å | ||
| 196 | P | 94.9 | Very high | 94.6 | Very high | 135 Ų | 135 | 70.6 Ų | 70.6 | 88% | 0.877 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.9 | -13.3 | 176.2 | -19.8 | 32.8 | 0 | 0 | 0 | 114.5 | N194 | N194-P196 WeakPolarHBondContact O-CD 3.17Š|
| 197 | T | 94.7 | Very high | 94.6 | Very high | 97 Ų | 97 | 72.1 Ų | 72.1 | 60% | 0.595 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.2 | -26.7 | -179.6 | 73.9 | 0 | 0 | 0 | 0 | 112.2 | D195 E199 | D195-T197 PolarHBondContact O-N 2.84Å; D195-T197 VanDerWaalsContact OD1-CB 3.31Å; D195-T197 WeakPolarHBondContact OD1-CB 3.09Å; D195-T197 WeakPolarHBondContact OD1-CG2 3.33Å; D195-T197 PolarHBondContact OD1-N 2.76Å; D195-T197 PolarHBondContact OD1-OG1 3.28Å; D195-T197 PolarHBondContact OD2-OG1 2.9Å; T197-E199 VanDerWaalsContact C-N 3.28Å; T197-E199 PolarHBondContact OG1-N 2.8Å |
| 198 | G | 93.8 | Very high | 94.6 | Very high | 37 Ų | 37 | 71.1 Ų | 71.1 | 38% | 0.381 | 41% | 0.41 | S | S | . | . | S | Bend | trans | 80.8 | 1.4 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | D195 A201 A202 | D195-G198 PolarHBondContact O-N 2.85Å; D195-G198 PolarHBondContact OD2-N 2.93Å; G198-A201 PolarHBondContact O-N 2.78Å; G198-A202 PolarHBondContact O-N 3.45Å |
| 199 | E | 93.3 | Very high | 94.6 | Very high | 136 Ų | 136 | 68.6 Ų | 68.6 | 64% | 0.636 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -68.2 | -39.5 | 177.2 | -69.1 | -177.6 | 179.7 | 0 | 0 | 111.3 | D195 T197 A201 A202 N203 | D195-E199 PolarHBondContact OD2-N 2.96Å; D195-E199 VanDerWaalsContact OD2-N 3.1Å; T197-E199 VanDerWaalsContact C-N 3.28Å; T197-E199 PolarHBondContact OG1-N 2.8Å; E199-A201 VanDerWaalsContact C-N 3.31Å; E199-A201 PolarHBondContact O-N 3.39Å; E199-A202 PolarHBondContact O-N 3.48Å; E199-N203 PolarHBondContact O-N 2.94Å; E199-N203 VanDerWaalsContact O-N 3.1Å; E199-N203 PolarHBondContact O-ND2 3.2Å |
| 200 | A | 92.6 | Very high | 94.7 | Very high | 20 Ų | 20 | 66.8 Ų | 66.8 | 17% | 0.165 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -61.3 | -41.6 | 176 | 0 | 0 | 0 | 0 | 0 | 111.3 | E191 D195 A202 N203 T204 | E191-A200 HydrophobicContact CB-CB 4.35Å; D195-A200 HydrophobicContact CB-CB 3.69Å; D195-A200 WeakPolarHBondContact OD2-CB 3.42Å; D195-A200 PolarHBondContact OD2-N 2.8Å; A200-A202 VanDerWaalsContact C-N 3.31Å; A200-A202 PolarHBondContact O-N 2.83Å; A200-N203 PolarHBondContact O-N 2.77Å; A200-T204 WeakPolarHBondContact O-CB 3.3Å; A200-T204 PolarHBondContact O-N 2.86Å; A200-T204 PolarHBondContact O-OG1 2.98Å |
| 201 | A | 91.8 | Very high | 94.7 | Very high | 60 Ų | 60 | 62.6 Ų | 62.6 | 50% | 0.496 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -62.5 | -36.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | A192 G198 E199 | A192-A201 HydrophobicContact CB-CB 3.98Å; G198-A201 PolarHBondContact O-N 2.78Å; E199-A201 VanDerWaalsContact C-N 3.31Å; E199-A201 PolarHBondContact O-N 3.39Å |
| 202 | A | 91.8 | Very high | 94.8 | Very high | 83 Ų | 83 | 57 Ų | 57 | 69% | 0.686 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -74.2 | -36.1 | 179 | 0 | 0 | 0 | 0 | 0 | 113.1 | G198 E199 A200 | G198-A202 PolarHBondContact O-N 3.45Å; E199-A202 PolarHBondContact O-N 3.48Å; A200-A202 VanDerWaalsContact C-N 3.31Å; A200-A202 PolarHBondContact O-N 2.83Å |
| 203 | N | 91.5 | Very high | 94.9 | Very high | 123 Ų | 123 | 55.9 Ų | 55.9 | 66% | 0.658 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -90.2 | -7 | -176.4 | -64.4 | -31.2 | 0 | 0 | 0 | 113.8 | E199 A200 Q205 | E199-N203 PolarHBondContact O-N 2.94Å; E199-N203 VanDerWaalsContact O-N 3.1Å; E199-N203 PolarHBondContact O-ND2 3.2Å; A200-N203 PolarHBondContact O-N 2.77Å; N203-Q205 PolarHBondContact O-N 3.41Å; N203-Q205 VanDerWaalsContact O-N 3.15Å |
| 204 | T | 93.4 | Very high | 94.9 | Very high | 28 Ų | 28 | 52 Ų | 52 | 17% | 0.172 | 31% | 0.313 | C | S | . | . | trans | -70.8 | 109.6 | -179.8 | -65.1 | 0 | 0 | 0 | 0 | 110 | M187 D188 A200 | M187-T204 HydrophobicContact CG-CG2 3.75Å; M187-T204 HydrophobicContact SD-CG2 4.37Å; D188-T204 WeakPolarHBondContact O-CG2 3.43Å; A200-T204 WeakPolarHBondContact O-CB 3.3Å; A200-T204 PolarHBondContact O-N 2.86Å; A200-T204 PolarHBondContact O-OG1 2.98Å | ||
| 205 | Q | 92.1 | Very high | 94.7 | Very high | 103 Ų | 103 | 49.5 Ų | 49.5 | 48% | 0.481 | 30% | 0.3 | S | S | . | . | trans | -88.9 | 153.6 | 177.8 | -68.1 | 177.9 | -22.9 | 0 | 0 | 112.1 | N203 | N203-Q205 PolarHBondContact O-N 3.41Å; N203-Q205 VanDerWaalsContact O-N 3.15Å | ||
| 206 | Q | 95.8 | Very high | 94.4 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 33% | 0.325 | C | S | . | . | trans | -72 | 147.4 | 168.6 | -165.4 | -177.5 | 52.7 | 0 | 0 | 110.2 | Y168 L185 E186 M187 L228 G232 | Y168-Q206 VanDerWaalsContact CG-NE2 3.25Å; L185-Q206 HydrophobicContact CB-CG 4.28Å; E186-Q206 CarbonylContact O-C 3.56Å; M187-Q206 HydrophobicContact CE-CB 4.07Å; Q206-L228 HydrophobicContact CG-CD1 4.44Å; Q206-L228 PolarHBondContact O-N 3.41Å; Q206-G232 PolarHBondContact NE2-O 3.4Å; Q206-G232 PolarHBondContact OE1-O 2.84Å | ||
| 207 | T | 96.8 | Very high | 94.2 | Very high | 33 Ų | 33 | 50.5 Ų | 50.5 | 20% | 0.202 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 134.7 | 177.8 | 57 | 0 | 0 | 0 | 0 | 111 | E186 E226 A227 | E186-T207 PolarHBondContact N-O 3.18Å; E186-T207 PolarHBondContact O-N 2.68Å; E186-T207 PolarHBondContact O-OG1 2.89Å; E186-T207 VanDerWaalsContact O-OG1 3.08Å; T207-E226 CarbonylContact C-O 3.58Å; T207-E226 WeakPolarHBondContact CA-O 3.29Å; T207-E226 WeakPolarHBondContact CB-O 3.37Å; T207-A227 HydrophobicContact CG2-CB 4.48Å |
| 208 | L | 97.3 | Very high | 94.2 | Very high | 1 Ų | 1 | 50.1 Ų | 50.1 | 1% | 0.005 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 118.6 | 168.3 | 179.1 | 66.5 | 0 | 0 | 0 | 108.9 | A183 L185 F210 S225 E226 L228 L235 V248 I250 K259 | A183-L208 HydrophobicContact CB-CD1 4.29Å; L185-L208 HydrophobicContact CD2-CD1 4.06Å; L208-F210 HydrophobicContact CD1-CE2 4.48Å; L208-F210 HydrophobicContact CD2-CE2 3.7Å; L208-F210 HydrophobicContact CD2-CZ 4.19Å; L208-F210 HydrophobicContact CG-CD2 4.41Å; L208-F210 HydrophobicContact CG-CE2 3.78Å; L208-S225 WeakPolarHBondContact O-CA 3.3Å; L208-E226 PolarHBondContact N-O 3.04Å; L208-E226 PolarHBondContact O-N 3.2Å; L208-L228 HydrophobicContact CB-CD1 4.46Å; L208-L228 HydrophobicContact CB-CD2 4.05Å; L208-L228 HydrophobicContact CB-CG 4.31Å; L208-L235 HydrophobicContact CD1-CD1 4.15Å; L208-L235 HydrophobicContact CD1-CD2 4.18Å; L208-V248 HydrophobicContact CD1-CG2 4.36Å; L208-V248 HydrophobicContact CD2-CG2 3.97Å; L208-I250 HydrophobicContact CD2-CD1 4.04Å; L208-I250 HydrophobicContact CD2-CG1 4.41Å; L208-K259 HydrophobicContact CD2-CB 4.15Å; L208-K259 HydrophobicContact CD2-CD 3.95Å; L208-K259 HydrophobicContact CD2-CG 4.05Å |
| 209 | T | 97.1 | Very high | 94.2 | Very high | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 133.8 | -174.3 | 55.8 | 0 | 0 | 0 | 0 | 111.1 | A183 C184 E186 Y224 | A183-T209 CarbonylContact C-O 3.59Å; A183-T209 WeakPolarHBondContact CA-O 3.37Å; C184-T209 PolarHBondContact N-O 2.79Å; C184-T209 PolarHBondContact O-N 2.82Å; C184-T209 PolarHBondContact O-OG1 2.89Å; C184-T209 PolarHBondContact SG-OG1 3.03Å; E186-T209 HydrophobicContact CB-CG2 4.12Å; E186-T209 HydrophobicContact CG-CG2 4.17Å; E186-T209 WeakPolarHBondContact CG-OG1 3.45Å; E186-T209 PolarHBondContact OE1-OG1 3.27Å; E186-T209 WeakPolarHBondContact OE2-CG2 3.27Å; T209-Y224 WeakPolarHBondContact CA-O 3.41Å |
| 210 | F | 97.3 | Very high | 94.4 | Very high | 1 Ų | 1 | 46.7 Ų | 46.7 | 0% | 0.004 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 122.3 | 175.9 | -68.8 | -110.2 | 0 | 0 | 0 | 109.9 | V173 M181 F182 A183 L208 K223 Y224 V248 | V173-F210 HydrophobicContact CG2-CD1 4.06Å; V173-F210 HydrophobicContact CG2-CE1 3.81Å; M181-F210 HydrophobicContact CE-CD1 4.29Å; M181-F210 HydrophobicContact SD-CD1 4.35Å; F182-F210 WeakPolarHBondContact O-CA 3.49Å; A183-F210 HydrophobicContact CB-CD1 4.12Å; A183-F210 HydrophobicContact CB-CE1 3.95Å; A183-F210 HydrophobicContact CB-CZ 4.21Å; L208-F210 HydrophobicContact CD1-CE2 4.48Å; L208-F210 HydrophobicContact CD2-CE2 3.7Å; L208-F210 HydrophobicContact CD2-CZ 4.19Å; L208-F210 HydrophobicContact CG-CD2 4.41Å; L208-F210 HydrophobicContact CG-CE2 3.78Å; F210-K223 PolarHBondContact O-N 2.94Å; F210-Y224 AromaticContact CD2-CD1 3.93Å; F210-Y224 HydrophobicContact CD2-CD1 3.93Å; F210-Y224 HydrophobicContact CE2-CD1 4.31Å; F210-Y224 PolarHBondContact N-O 3.33Å; F210-Y224 PolarHBondContact O-N 2.9Å; F210-V248 HydrophobicContact CZ-CG2 4.25Å |
| 211 | Y | 97.8 | Very high | 94.5 | Very high | 9 Ų | 9 | 48.6 Ų | 48.6 | 4% | 0.035 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 121.4 | 171.3 | -70.7 | -94.6 | 0 | 0 | 0 | 108.8 | K139 A160 M181 F182 C184 E186 V220 V221 R222 | K139-Y211 HydrophobicContact CD-CE2 4.37Å; K139-Y211 WeakPolarHBondContact CE-OH 3.42Å; A160-Y211 HydrophobicContact CB-CD1 3.94Å; A160-Y211 HydrophobicContact CB-CE1 4.04Å; M181-Y211 CarbonylContact C-O 3.59Å; M181-Y211 WeakPolarHBondContact CA-O 3.48Å; F182-Y211 PolarHBondContact N-O 3.22Å; F182-Y211 PolarHBondContact O-N 2.96Å; C184-Y211 WeakPolarHBondContact SG-CE2 3.37Å; E186-Y211 WeakPolarHBondContact OE1-CE2 3.17Å; E186-Y211 VanDerWaalsContact OE1-CZ 3.27Å; E186-Y211 PolarHBondContact OE1-OH 2.85Å; Y211-V220 HydrophobicContact CD1-CG1 3.99Å; Y211-V220 HydrophobicContact CG-CG1 4.44Å; Y211-V221 WeakPolarHBondContact CA-O 3.14Å; Y211-R222 HydrophobicContact CD1-CB 4.25Å; Y211-R222 HydrophobicContact CE1-CB 3.95Å; Y211-R222 HydrophobicContact CE1-CG 4.44Å |
| 212 | E | 97.3 | Very high | 94.7 | Very high | 29 Ų | 29 | 50.3 Ų | 50.3 | 14% | 0.136 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 132 | 175.5 | -178.6 | 176.5 | -138.9 | 0 | 0 | 109.5 | N179 M181 V220 V221 K223 | N179-E212 HydrophobicContact CB-CG 3.87Å; M181-E212 HydrophobicContact CG-CB 4.34Å; M181-E212 HydrophobicContact CG-CG 4.39Å; E212-V220 WeakPolarHBondContact O-CA 3.37Å; E212-V221 HydrophobicContact CB-CG1 4.34Å; E212-V221 PolarHBondContact N-O 2.96Å; E212-V221 PolarHBondContact O-N 3.17Å; E212-K223 HydrophobicContact CB-CB 4.12Å; E212-K223 HydrophobicContact CB-CD 4.12Å; E212-K223 IonicContact OE1-NZ 2.68Å; E212-K223 PolarHBondContact OE1-NZ 3.43Å; E212-K223 WeakPolarHBondContact OE2-CD 3.43Å; E212-K223 WeakPolarHBondContact OE2-CE 3.25Å; E212-K223 IonicContact OE2-NZ 2.91Å; E212-K223 PolarHBondContact OE2-NZ 3.05Å |
| 213 | L | 97.1 | Very high | 94.7 | Very high | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 106.9 | 169.8 | 174.8 | 67.1 | 0 | 0 | 0 | 109.1 | A129 V141 I143 L158 N179 P180 L215 V220 | A129-L213 HydrophobicContact CB-CD2 3.49Å; A129-L213 VanDerWaalsContact CB-CD2 3.49Å; V141-L213 HydrophobicContact CG1-CD1 4.37Å; V141-L213 HydrophobicContact CG1-CD2 4.01Å; I143-L213 HydrophobicContact CG1-CD2 4.08Å; L158-L213 HydrophobicContact CD1-CD1 3.36Å; N179-L213 WeakPolarHBondContact CB-O 3.29Å; P180-L213 HydrophobicContact CB-CB 4.31Å; P180-L213 HydrophobicContact CB-CD2 4.43Å; P180-L213 HydrophobicContact CG-CD2 4.23Å; P180-L213 PolarHBondContact O-N 2.84Å; L213-L215 HydrophobicContact CD2-CD2 3.93Å; L213-L215 HydrophobicContact CG-CD2 4.28Å; L213-L215 PolarHBondContact O-N 2.78Å; L213-V220 HydrophobicContact CD1-CG2 3.69Å |
| 214 | D | 95.1 | Very high | 94.7 | Very high | 37 Ų | 37 | 49.5 Ų | 49.5 | 20% | 0.198 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 105.8 | 172.2 | -170.4 | -36 | 0 | 0 | 0 | 109.2 | G216 L217 N218 H219 | D214-G216 VanDerWaalsContact C-N 3.25Å; D214-G216 PolarHBondContact O-N 2.86Å; D214-G216 WeakPolarHBondContact OD1-CA 3.42Å; D214-G216 PolarHBondContact OD1-N 2.68Å; D214-L217 HydrophobicContact CB-CB 4.14Å; D214-L217 PolarHBondContact OD1-N 2.86Å; D214-L217 WeakPolarHBondContact OD2-CD1 3.39Å; D214-L217 WeakPolarHBondContact OD2-CG 3.48Å; D214-N218 VanDerWaalsContact O-CA 3.29Å; D214-N218 WeakPolarHBondContact O-CA 3.46Å; D214-N218 PolarHBondContact O-N 2.94Å; D214-H219 PolarHBondContact N-O 2.85Å; D214-H219 VanDerWaalsContact N-O 3.1Å |
| 215 | L | 90.9 | Very high | 94.7 | Very high | 71 Ų | 71 | 50.3 Ų | 50.3 | 37% | 0.372 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | -24.4 | -179.7 | -70.3 | 171.2 | 0 | 0 | 0 | 112.9 | I143 P180 L213 | I143-L215 HydrophobicContact CD1-CD2 4.29Å; I143-L215 HydrophobicContact CG1-CD2 4.48Å; I143-L215 HydrophobicContact CG2-CD2 4.36Å; P180-L215 HydrophobicContact CG-CD1 4.27Å; L213-L215 HydrophobicContact CD2-CD2 3.93Å; L213-L215 HydrophobicContact CG-CD2 4.28Å; L213-L215 PolarHBondContact O-N 2.78Å |
| 216 | G | 90.5 | Very high | 94.8 | Very high | 71 Ų | 71 | 48.6 Ų | 48.6 | 73% | 0.732 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.1 | -41.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | D214 | D214-G216 VanDerWaalsContact C-N 3.25Å; D214-G216 PolarHBondContact O-N 2.86Å; D214-G216 WeakPolarHBondContact OD1-CA 3.42Å; D214-G216 PolarHBondContact OD1-N 2.68Å |
| 217 | L | 91.4 | Very high | 94.7 | Very high | 122 Ų | 122 | 51.1 Ų | 51.1 | 64% | 0.639 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.3 | -10 | 178.8 | -63.5 | -179.8 | 0 | 0 | 0 | 113.7 | D214 H219 | D214-L217 HydrophobicContact CB-CB 4.14Å; D214-L217 PolarHBondContact OD1-N 2.86Å; D214-L217 WeakPolarHBondContact OD2-CD1 3.39Å; D214-L217 WeakPolarHBondContact OD2-CG 3.48Å; L217-H219 VanDerWaalsContact CB-ND1 3.33Å; L217-H219 WeakPolarHBondContact CB-ND1 3.25Å; L217-H219 PolarHBondContact O-N 3.36Å |
| 218 | N | 93.8 | Very high | 94.6 | Very high | 89 Ų | 89 | 50.2 Ų | 50.2 | 48% | 0.476 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54 | 46.3 | 177.6 | -165.7 | 38.2 | 0 | 0 | 0 | 113.8 | I143 L158 D214 | I143-N218 WeakPolarHBondContact CD1-OD1 3.32Å; L158-N218 WeakPolarHBondContact CD2-O 3.37Å; D214-N218 VanDerWaalsContact O-CA 3.29Å; D214-N218 WeakPolarHBondContact O-CA 3.46Å; D214-N218 PolarHBondContact O-N 2.94Å |
| 219 | H | 94.1 | Very high | 94.1 | Very high | 80 Ų | 80 | 56.1 Ų | 56.1 | 37% | 0.37 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 160.3 | 173.5 | 75.8 | -67.5 | 0 | 0 | 0 | 110.5 | D214 L217 | D214-H219 PolarHBondContact N-O 2.85Å; D214-H219 VanDerWaalsContact N-O 3.1Å; L217-H219 VanDerWaalsContact CB-ND1 3.33Å; L217-H219 WeakPolarHBondContact CB-ND1 3.25Å; L217-H219 PolarHBondContact O-N 3.36Å |
| 220 | V | 97.1 | Very high | 93.8 | Very high | 20 Ų | 20 | 60 Ų | 60 | 12% | 0.121 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 131.9 | 176.2 | -177.5 | 0 | 0 | 0 | 0 | 108.5 | V141 L158 A160 Y211 E212 L213 | V141-V220 HydrophobicContact CB-CG2 3.93Å; V141-V220 HydrophobicContact CG1-CG2 4.4Å; V141-V220 HydrophobicContact CG2-CG2 3.81Å; L158-V220 HydrophobicContact CB-CG2 3.94Å; L158-V220 HydrophobicContact CD1-CG2 4.25Å; A160-V220 HydrophobicContact CB-CB 4.31Å; A160-V220 HydrophobicContact CB-CG1 3.9Å; Y211-V220 HydrophobicContact CD1-CG1 3.99Å; Y211-V220 HydrophobicContact CG-CG1 4.44Å; E212-V220 WeakPolarHBondContact O-CA 3.37Å; L213-V220 HydrophobicContact CD1-CG2 3.69Å |
| 221 | V | 95.6 | Very high | 93.7 | Very high | 60 Ų | 60 | 64.8 Ų | 64.8 | 36% | 0.364 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 141.4 | 177.6 | 65.5 | 0 | 0 | 0 | 0 | 110.3 | Y211 E212 K223 | Y211-V221 WeakPolarHBondContact CA-O 3.14Å; E212-V221 HydrophobicContact CB-CG1 4.34Å; E212-V221 PolarHBondContact N-O 2.96Å; E212-V221 PolarHBondContact O-N 3.17Å; V221-K223 PolarHBondContact O-N 2.82Å; V221-K223 VanDerWaalsContact O-N 3.11Å |
| 222 | R | 94.9 | Very high | 93.6 | Very high | 97 Ų | 97 | 64.5 Ų | 64.5 | 37% | 0.366 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 97.3 | 169 | -178.6 | 173.5 | 162.2 | 174.4 | -7.4 | 107.8 | E186 Y211 S225 | E186-R222 IonicContact OE2-CZ 3.48Å; E186-R222 IonicContact OE2-NH1 2.86Å; E186-R222 PolarHBondContact OE2-NH1 2.72Å; Y211-R222 HydrophobicContact CD1-CB 4.25Å; Y211-R222 HydrophobicContact CE1-CB 3.95Å; Y211-R222 HydrophobicContact CE1-CG 4.44Å; R222-S225 PolarHBondContact NH2-OG 2.73Å |
| 223 | K | 93 | Very high | 93.5 | Very high | 121 Ų | 121 | 65.4 Ų | 65.4 | 53% | 0.526 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | -40.5 | -173.1 | -168.5 | -176.3 | -160.8 | 158.8 | 0 | 111.8 | M181 F210 E212 V221 | M181-K223 HydrophobicContact SD-CD 4.48Å; F210-K223 PolarHBondContact O-N 2.94Å; E212-K223 HydrophobicContact CB-CB 4.12Å; E212-K223 HydrophobicContact CB-CD 4.12Å; E212-K223 IonicContact OE1-NZ 2.68Å; E212-K223 PolarHBondContact OE1-NZ 3.43Å; E212-K223 WeakPolarHBondContact OE2-CD 3.43Å; E212-K223 WeakPolarHBondContact OE2-CE 3.25Å; E212-K223 IonicContact OE2-NZ 2.91Å; E212-K223 PolarHBondContact OE2-NZ 3.05Å; V221-K223 PolarHBondContact O-N 2.82Å; V221-K223 VanDerWaalsContact O-N 3.11Å |
| 224 | Y | 90.6 | Very high | 93.6 | Very high | 67 Ų | 67 | 66.5 Ų | 66.5 | 26% | 0.263 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 151 | -172.8 | -165.7 | -106.4 | 0 | 0 | 0 | 111.7 | T209 F210 E226 | T209-Y224 WeakPolarHBondContact CA-O 3.41Å; F210-Y224 AromaticContact CD2-CD1 3.93Å; F210-Y224 HydrophobicContact CD2-CD1 3.93Å; F210-Y224 HydrophobicContact CE2-CD1 4.31Å; F210-Y224 PolarHBondContact N-O 3.33Å; F210-Y224 PolarHBondContact O-N 2.9Å; Y224-E226 HydrophobicContact CD1-CG 4.25Å; Y224-E226 HydrophobicContact CE1-CB 4.08Å; Y224-E226 VanDerWaalsContact CE1-CD 3.47Å; Y224-E226 HydrophobicContact CE1-CG 3.45Å; Y224-E226 VanDerWaalsContact CE1-CG 3.45Å; Y224-E226 HydrophobicContact CE2-CG 4.32Å; Y224-E226 PolarHBondContact OH-OE1 2.81Å; Y224-E226 PolarHBondContact OH-OE2 2.91Å |
| 225 | S | 93.9 | Very high | 93.7 | Very high | 45 Ų | 45 | 65 Ų | 65 | 32% | 0.315 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.8 | 121.3 | 178.1 | 179.7 | 0 | 0 | 0 | 0 | 110 | L208 R222 | L208-S225 WeakPolarHBondContact O-CA 3.3Å; R222-S225 PolarHBondContact NH2-OG 2.73Å |
| 226 | E | 93.6 | Very high | 94.1 | Very high | 67 Ų | 67 | 61.7 Ų | 61.7 | 31% | 0.313 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 146 | 174.9 | -76.6 | -168.2 | 169.6 | 0 | 0 | 111.9 | T207 L208 Y224 K259 | T207-E226 CarbonylContact C-O 3.58Å; T207-E226 WeakPolarHBondContact CA-O 3.29Å; T207-E226 WeakPolarHBondContact CB-O 3.37Å; L208-E226 PolarHBondContact N-O 3.04Å; L208-E226 PolarHBondContact O-N 3.2Å; Y224-E226 HydrophobicContact CD1-CG 4.25Å; Y224-E226 HydrophobicContact CE1-CB 4.08Å; Y224-E226 VanDerWaalsContact CE1-CD 3.47Å; Y224-E226 HydrophobicContact CE1-CG 3.45Å; Y224-E226 VanDerWaalsContact CE1-CG 3.45Å; Y224-E226 HydrophobicContact CE2-CG 4.32Å; Y224-E226 PolarHBondContact OH-OE1 2.81Å; Y224-E226 PolarHBondContact OH-OE2 2.91Å; E226-K259 WeakPolarHBondContact OE2-CE 3.26Å; E226-K259 IonicContact OE2-NZ 2.77Å; E226-K259 PolarHBondContact OE2-NZ 3.37Å |
| 227 | A | 93.9 | Very high | 94.4 | Very high | 54 Ų | 54 | 60.4 Ų | 60.4 | 45% | 0.446 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 144.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | T207 | T207-A227 HydrophobicContact CG2-CB 4.48Å |
| 228 | L | 93.6 | Very high | 94.6 | Very high | 14 Ų | 14 | 54.6 Ų | 54.6 | 7% | 0.073 | 27% | 0.274 | C | S | . | . | trans | -97.4 | 144.7 | 170.1 | -62 | 177.7 | 0 | 0 | 0 | 108.9 | L185 Q206 L208 E230 I250 | L185-L228 HydrophobicContact CD2-CD1 3.52Å; Q206-L228 HydrophobicContact CG-CD1 4.44Å; Q206-L228 PolarHBondContact O-N 3.41Å; L208-L228 HydrophobicContact CB-CD1 4.46Å; L208-L228 HydrophobicContact CB-CD2 4.05Å; L208-L228 HydrophobicContact CB-CG 4.31Å; L228-E230 WeakPolarHBondContact CB-O 3.42Å; L228-I250 HydrophobicContact CD1-CG2 4.17Å | ||
| 229 | E | 88.7 | Confident | 94.7 | Very high | 125 Ų | 125 | 50.6 Ų | 50.6 | 58% | 0.584 | 25% | 0.253 | S | S | * | . | S | Bend | trans | -67.7 | -40.4 | 175.5 | -164.8 | 175.7 | 142.9 | 0 | 0 | 111.3 | R268 | E229-R268 IonicContact OE1-CZ 2.84Å; E229-R268 IonicContact OE1-NH1 2.74Å; E229-R268 PolarHBondContact OE1-NH1 2.75Å; E229-R268 IonicContact OE1-NH2 3.23Å; E229-R268 IonicContact OE2-CZ 3.08Å; E229-R268 IonicContact OE2-NH1 4Å; E229-R268 PolarHBondContact OE2-NH1 3.12Å |
| 230 | E | 90.1 | Very high | 94.5 | Very high | 82 Ų | 82 | 46.8 Ų | 46.8 | 38% | 0.383 | 24% | 0.235 | S | C | . | . | S | Bend | trans | -122.8 | 153.8 | -179.4 | -59.5 | -61 | 167.4 | 0 | 0 | 111.3 | L228 G232 | L228-E230 WeakPolarHBondContact CB-O 3.42Å; E230-G232 PolarHBondContact O-N 2.83Å |
| 231 | H | 94.8 | Very high | 94.1 | Very high | 100 Ų | 100 | 48.2 Ų | 48.2 | 46% | 0.463 | 25% | 0.254 | S | S | . | . | trans | -71.3 | 118.5 | 176.1 | -63.2 | 161.9 | 0 | 0 | 0 | 111.3 | M187 | M187-H231 WeakPolarHBondContact CE-NE2 3.29Š| ||
| 232 | G | 95.4 | Very high | 93.6 | Very high | 3 Ų | 3 | 50.8 Ų | 50.8 | 3% | 0.031 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 145.1 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q206 E230 C251 S252 | Q206-G232 PolarHBondContact NE2-O 3.4Å; Q206-G232 PolarHBondContact OE1-O 2.84Å; E230-G232 PolarHBondContact O-N 2.83Å; G232-C251 CarbonylContact C-O 3.58Å; G232-C251 WeakPolarHBondContact CA-O 3.42Å; G232-S252 WeakPolarHBondContact CA-OG 3.34Å |
| 233 | N | 96.6 | Very high | 93.2 | Very high | 49 Ų | 49 | 49.4 Ų | 49.4 | 26% | 0.262 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | -45.5 | 178.1 | 69.1 | -26.3 | 0 | 0 | 0 | 112.9 | C251 F287 | N233-C251 PolarHBondContact N-O 2.99Å; N233-C251 VanDerWaalsContact OD1-CB 3.25Å; N233-C251 WeakPolarHBondContact OD1-CB 3.49Å; N233-C251 PolarHBondContact OD1-O 3.31Å; N233-F287 PolarHBondContact ND2-O 2.8Å |
| 234 | F | 97.8 | Very high | 93 | Very high | 23 Ų | 23 | 44.8 Ų | 44.8 | 10% | 0.101 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 172.8 | 173.6 | 75.8 | -83.8 | 0 | 0 | 0 | 112.7 | H169 I236 C251 F287 | H169-F234 HydrophobicContact CB-CB 4.3Å; F234-I236 HydrophobicContact CD2-CG1 4.39Å; F234-I236 HydrophobicContact CE2-CD1 4.25Å; F234-I236 HydrophobicContact CE2-CG1 3.77Å; F234-C251 HydrophobicContact CD1-CB 4.17Å; F234-C251 HydrophobicContact CE1-CB 3.91Å; F234-C251 HydrophobicContact CZ-CB 4.2Å; F234-C251 PolarHBondContact O-N 2.96Å; F234-C251 VanDerWaalsContact O-N 3.1Å; F234-F287 HydrophobicContact CE1-CB 3.76Å; F234-F287 WeakPolarHBondContact CE1-O 3.48Å; F234-F287 HydrophobicContact CZ-CB 3.94Å |
| 235 | L | 98.1 | Very high | 93.1 | Very high | 4 Ų | 4 | 42.4 Ų | 42.4 | 2% | 0.021 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 148.2 | -176 | -60.8 | 173.2 | 0 | 0 | 0 | 110.7 | H169 V171 A183 L185 L208 V248 L249 I250 | H169-L235 PolarHBondContact ND1-N 2.8Å; H169-L235 VanDerWaalsContact ND1-N 3.14Å; V171-L235 HydrophobicContact CB-CB 4.1Å; V171-L235 HydrophobicContact CB-CD1 4.46Å; V171-L235 HydrophobicContact CG2-CB 3.63Å; V171-L235 WeakPolarHBondContact CG2-O 3.29Å; A183-L235 HydrophobicContact CB-CD1 4.23Å; L185-L235 HydrophobicContact CD1-CD2 4.18Å; L185-L235 HydrophobicContact CD1-CG 4.19Å; L185-L235 HydrophobicContact CD2-CD2 3.94Å; L185-L235 HydrophobicContact CD2-CG 4.47Å; L185-L235 HydrophobicContact CG-CD1 4.12Å; L185-L235 HydrophobicContact CG-CD2 3.97Å; L185-L235 HydrophobicContact CG-CG 3.98Å; L208-L235 HydrophobicContact CD1-CD1 4.15Å; L208-L235 HydrophobicContact CD1-CD2 4.18Å; L235-V248 HydrophobicContact CD2-CG2 4.48Å; L235-L249 CarbonylContact C-O 3.56Å; L235-L249 WeakPolarHBondContact CA-O 3.43Å; L235-I250 HydrophobicContact CD2-CB 4.1Å; L235-I250 HydrophobicContact CD2-CG1 3.52Å; L235-I250 HydrophobicContact CD2-CG2 4.2Å |
| 236 | I | 98.1 | Very high | 93.1 | Very high | 3 Ų | 3 | 40.8 Ų | 40.8 | 2% | 0.015 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 135.6 | 173 | -49.2 | 176.6 | 0 | 0 | 0 | 109.3 | F234 V238 V248 L249 F301 | F234-I236 HydrophobicContact CD2-CG1 4.39Å; F234-I236 HydrophobicContact CE2-CD1 4.25Å; F234-I236 HydrophobicContact CE2-CG1 3.77Å; I236-V238 PolarHBondContact O-N 2.75Å; I236-V248 WeakPolarHBondContact O-CA 3.24Å; I236-L249 HydrophobicContact CB-CB 4.09Å; I236-L249 HydrophobicContact CB-CD1 4.47Å; I236-L249 HydrophobicContact CD1-CB 4.42Å; I236-L249 HydrophobicContact CD1-CD1 4.44Å; I236-L249 HydrophobicContact CG1-CB 4.43Å; I236-L249 PolarHBondContact N-O 2.99Å; I236-L249 PolarHBondContact O-N 2.82Å; I236-L249 VanDerWaalsContact O-N 3.12Å; I236-F301 HydrophobicContact CG2-CD1 3.61Å; I236-F301 HydrophobicContact CG2-CE1 3.81Å; I236-F301 HydrophobicContact CG2-CG 4.45Å |
| 237 | T | 97.3 | Very high | 93.2 | Very high | 43 Ų | 43 | 37.6 Ų | 37.6 | 26% | 0.264 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 121.5 | 174.3 | -48.4 | 0 | 0 | 0 | 0 | 109.9 | P125 V171 G172 D174 F301 | P125-T237 HydrophobicContact CG-CG2 4.23Å; V171-T237 WeakPolarHBondContact CG1-OG1 3.09Å; G172-T237 WeakPolarHBondContact O-CG2 3.46Å; G172-T237 PolarHBondContact O-OG1 2.78Å; D174-T237 HydrophobicContact CB-CG2 4.38Å; T237-F301 WeakPolarHBondContact O-CE1 3.39Å |
| 238 | V | 96.8 | Very high | 93.3 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 21% | 0.206 | C | C | . | . | P | Polyproline II helix | trans | -90 | 128.8 | 170.1 | -179.2 | 0 | 0 | 0 | 0 | 109 | I236 P245 S246 G247 L249 Y258 F299 F301 L315 | I236-V238 PolarHBondContact O-N 2.75Å; V238-P245 HydrophobicContact CG1-CG 4.1Å; V238-S246 WeakPolarHBondContact CB-O 3.47Å; V238-S246 VanDerWaalsContact CG1-O 3.27Å; V238-S246 WeakPolarHBondContact CG1-O 3.44Å; V238-G247 WeakPolarHBondContact CB-O 3.38Å; V238-G247 PolarHBondContact N-O 3.04Å; V238-L249 HydrophobicContact CG2-CD1 4.2Å; V238-L249 HydrophobicContact CG2-CG 3.87Å; V238-Y258 HydrophobicContact CB-CE2 4.36Å; V238-Y258 HydrophobicContact CG1-CE2 4.31Å; V238-Y258 HydrophobicContact CG2-CD2 4.17Å; V238-Y258 HydrophobicContact CG2-CE2 3.95Å; V238-F299 HydrophobicContact CG1-CE2 4.21Å; V238-F299 HydrophobicContact CG1-CZ 4.35Å; V238-F301 HydrophobicContact CB-CZ 4.42Å; V238-F301 HydrophobicContact CG1-CZ 4.38Å; V238-F301 HydrophobicContact CG2-CZ 4.06Å; V238-L315 HydrophobicContact CG1-CD1 3.75Å; V238-L315 HydrophobicContact CG2-CD1 4.12Å |
| 239 | P | 94.6 | Very high | 93.5 | Very high | 5 Ų | 5 | 34.3 Ų | 34.3 | 3% | 0.032 | 20% | 0.203 | C | C | . | . | P | Polyproline II helix | trans | -56.3 | 141.3 | 175.9 | -25.5 | 35.5 | 0 | 0 | 0 | 111.9 | G244 S246 T292 K294 F299 | P239-G244 CarbonylContact O-C 3.58Å; P239-G244 VanDerWaalsContact O-CA 3.29Å; P239-G244 WeakPolarHBondContact O-CA 3.36Å; P239-S246 PolarHBondContact O-N 3.17Å; P239-S246 VanDerWaalsContact O-N 3.08Å; P239-T292 HydrophobicContact CG-CG2 4.46Å; P239-K294 HydrophobicContact CB-CD 4.47Å; P239-F299 HydrophobicContact CB-CD1 4.46Å; P239-F299 HydrophobicContact CB-CG 4.48Å; P239-F299 HydrophobicContact CG-CB 4.04Å; P239-F299 HydrophobicContact CG-CD1 4.36Å; P239-F299 HydrophobicContact CG-CD2 4.09Å; P239-F299 HydrophobicContact CG-CG 3.9Å |
| 240 | G | 90.9 | Very high | 94 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 18% | 0.175 | C | C | . | . | trans | -138.3 | -178.7 | -177 | 0 | 0 | 0 | 0 | 0 | 114.2 | D174 G244 | D174-G240 VanDerWaalsContact O-CA 3.27Å; D174-G240 WeakPolarHBondContact O-CA 3.42Å; D174-G240 PolarHBondContact OD2-N 3.35Å; G240-G244 VanDerWaalsContact CA-O 3.31Å; G240-G244 WeakPolarHBondContact CA-O 3.35Å | ||
| 241 | G | 87.3 | Confident | 94.4 | Very high | 50 Ų | 50 | 24.5 Ų | 24.5 | 52% | 0.515 | 16% | 0.157 | S | C | . | . | G | 310 helix | trans | 76.4 | -124.3 | -173.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | D243 | G241-D243 PolarHBondContact O-N 3.45Š|
| 242 | S | 85.8 | Confident | 94.4 | Very high | 114 Ų | 114 | 20 Ų | 20 | 80% | 0.797 | 14% | 0.136 | S | C | * | . | G | 310 helix | trans | -72.5 | -13.2 | 179.7 | 57.7 | 0 | 0 | 0 | 0 | 114.4 | ||
| 243 | D | 86.1 | Confident | 94.4 | Very high | 69 Ų | 69 | 24.6 Ų | 24.6 | 37% | 0.369 | 16% | 0.157 | S | C | . | . | G | 310 helix | trans | -112.7 | -1.9 | -163.4 | -53 | -37.4 | 0 | 0 | 0 | 113.3 | G241 K294 F299 | G241-D243 PolarHBondContact O-N 3.45Å; D243-K294 VanDerWaalsContact CB-CE 3.43Å; D243-K294 VanDerWaalsContact CG-CE 3.48Å; D243-K294 VanDerWaalsContact CG-NZ 3.33Å; D243-K294 WeakPolarHBondContact OD2-CE 3Å; D243-K294 IonicContact OD2-NZ 3.54Å; D243-K294 PolarHBondContact OD2-NZ 3.43Å; D243-F299 WeakPolarHBondContact O-CD1 3.42Å |
| 244 | G | 89.2 | Confident | 94.3 | Very high | 23 Ų | 23 | 25 Ų | 25 | 24% | 0.237 | 16% | 0.159 | C | C | . | . | S | Bend | trans | 168.2 | -178.3 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | P239 G240 S246 | P239-G244 CarbonylContact O-C 3.58Å; P239-G244 VanDerWaalsContact O-CA 3.29Å; P239-G244 WeakPolarHBondContact O-CA 3.36Å; G240-G244 VanDerWaalsContact CA-O 3.31Å; G240-G244 WeakPolarHBondContact CA-O 3.35Å; G244-S246 VanDerWaalsContact C-N 3.32Å; G244-S246 PolarHBondContact O-N 2.85Å |
| 245 | P | 92.8 | Very high | 94.2 | Very high | 18 Ų | 18 | 27.4 Ų | 27.4 | 12% | 0.117 | 17% | 0.168 | C | C | . | . | trans | -81.5 | -0.1 | -170.4 | 33.3 | -37.4 | 0 | 0 | 0 | 115 | V238 N260 T317 V322 | V238-P245 HydrophobicContact CG1-CG 4.1Å; P245-N260 PolarHBondContact O-ND2 3.39Å; P245-T317 HydrophobicContact CB-CG2 4.39Å; P245-T317 HydrophobicContact CG-CG2 4Å; P245-V322 HydrophobicContact CB-CG2 3.79Å; P245-V322 HydrophobicContact CG-CG2 3.58Å | ||
| 246 | S | 94.6 | Very high | 94.1 | Very high | 10 Ų | 10 | 27.2 Ų | 27.2 | 7% | 0.07 | 17% | 0.167 | C | C | . | . | trans | 64.3 | -163.1 | -169.4 | -159.8 | 0 | 0 | 0 | 0 | 112.1 | V173 D174 V238 P239 G244 Y258 | V173-S246 WeakPolarHBondContact CG1-OG 3.49Å; D174-S246 VanDerWaalsContact O-CB 3.31Å; D174-S246 WeakPolarHBondContact O-CB 3.48Å; D174-S246 PolarHBondContact O-OG 2.9Å; V238-S246 WeakPolarHBondContact CB-O 3.47Å; V238-S246 VanDerWaalsContact CG1-O 3.27Å; V238-S246 WeakPolarHBondContact CG1-O 3.44Å; P239-S246 PolarHBondContact O-N 3.17Å; P239-S246 VanDerWaalsContact O-N 3.08Å; G244-S246 VanDerWaalsContact C-N 3.32Å; G244-S246 PolarHBondContact O-N 2.85Å; S246-Y258 PolarHBondContact O-OH 2.85Å | ||
| 247 | G | 94.8 | Very high | 94 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 17% | 0.171 | C | C | . | . | trans | 88.2 | -169.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | V238 N260 | V238-G247 WeakPolarHBondContact CB-O 3.38Å; V238-G247 PolarHBondContact N-O 3.04Å; G247-N260 VanDerWaalsContact CA-OD1 3.23Å; G247-N260 WeakPolarHBondContact CA-OD1 3.39Å; G247-N260 PolarHBondContact N-OD1 3.45Å | ||
| 248 | V | 97.1 | Very high | 94 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 146.5 | -178.3 | -64.7 | 0 | 0 | 0 | 0 | 111.7 | V173 A183 L208 F210 L235 I236 I250 K259 | V173-V248 HydrophobicContact CG2-CG1 4.17Å; A183-V248 HydrophobicContact CB-CG1 3.89Å; L208-V248 HydrophobicContact CD1-CG2 4.36Å; L208-V248 HydrophobicContact CD2-CG2 3.97Å; F210-V248 HydrophobicContact CZ-CG2 4.25Å; L235-V248 HydrophobicContact CD2-CG2 4.48Å; I236-V248 WeakPolarHBondContact O-CA 3.24Å; V248-I250 HydrophobicContact CG2-CD1 4.24Å; V248-K259 PolarHBondContact N-O 2.49Å; V248-K259 VanDerWaalsContact N-O 3.12Å; V248-K259 PolarHBondContact O-N 2.75Å |
| 249 | L | 98 | Very high | 93.9 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 125.8 | 163.5 | -62.3 | 161.5 | 0 | 0 | 0 | 108.7 | L235 I236 V238 I256 T257 Y258 F301 L315 I325 | L235-L249 CarbonylContact C-O 3.56Å; L235-L249 WeakPolarHBondContact CA-O 3.43Å; I236-L249 HydrophobicContact CB-CB 4.09Å; I236-L249 HydrophobicContact CB-CD1 4.47Å; I236-L249 HydrophobicContact CD1-CB 4.42Å; I236-L249 HydrophobicContact CD1-CD1 4.44Å; I236-L249 HydrophobicContact CG1-CB 4.43Å; I236-L249 PolarHBondContact N-O 2.99Å; I236-L249 PolarHBondContact O-N 2.82Å; I236-L249 VanDerWaalsContact O-N 3.12Å; V238-L249 HydrophobicContact CG2-CD1 4.2Å; V238-L249 HydrophobicContact CG2-CG 3.87Å; L249-I256 HydrophobicContact CB-CD1 4.32Å; L249-I256 HydrophobicContact CB-CG1 4.37Å; L249-I256 HydrophobicContact CD1-CD1 4.32Å; L249-I256 HydrophobicContact CD2-CD1 4.31Å; L249-I256 HydrophobicContact CD2-CG1 4.31Å; L249-T257 CarbonylContact C-O 3.57Å; L249-T257 WeakPolarHBondContact CA-O 3.45Å; L249-Y258 HydrophobicContact CD2-CD2 3.92Å; L249-Y258 HydrophobicContact CD2-CG 4.26Å; L249-Y258 HydrophobicContact CG-CD2 4.41Å; L249-F301 HydrophobicContact CD1-CD2 3.83Å; L249-F301 HydrophobicContact CD1-CE2 3.76Å; L249-F301 HydrophobicContact CD1-CG 4.32Å; L249-F301 HydrophobicContact CD1-CZ 4.17Å; L249-L315 HydrophobicContact CD2-CD2 4.18Å; L249-I325 HydrophobicContact CD2-CD1 4.29Å |
| 250 | I | 97.9 | Very high | 93.8 | Very high | 1 Ų | 1 | 26.4 Ų | 26.4 | 1% | 0.005 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 118.5 | 172.6 | -53.1 | 99.5 | 0 | 0 | 0 | 107.9 | L185 L208 L228 L235 V248 T257 K259 | L185-I250 HydrophobicContact CD2-CG2 4.4Å; L208-I250 HydrophobicContact CD2-CD1 4.04Å; L208-I250 HydrophobicContact CD2-CG1 4.41Å; L228-I250 HydrophobicContact CD1-CG2 4.17Å; L235-I250 HydrophobicContact CD2-CB 4.1Å; L235-I250 HydrophobicContact CD2-CG1 3.52Å; L235-I250 HydrophobicContact CD2-CG2 4.2Å; V248-I250 HydrophobicContact CG2-CD1 4.24Å; I250-T257 HydrophobicContact CD1-CG2 4.42Å; I250-T257 WeakPolarHBondContact CD1-O 3.46Å; I250-T257 PolarHBondContact N-O 3.5Å; I250-T257 PolarHBondContact O-N 2.82Å; I250-K259 HydrophobicContact CD1-CB 3.51Å |
| 251 | C | 97.8 | Very high | 93.3 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 124.2 | 169.1 | -64.2 | 0 | 0 | 0 | 0 | 108.2 | G232 N233 F234 F287 | G232-C251 CarbonylContact C-O 3.58Å; G232-C251 WeakPolarHBondContact CA-O 3.42Å; N233-C251 PolarHBondContact N-O 2.99Å; N233-C251 VanDerWaalsContact OD1-CB 3.25Å; N233-C251 WeakPolarHBondContact OD1-CB 3.49Å; N233-C251 PolarHBondContact OD1-O 3.31Å; F234-C251 HydrophobicContact CD1-CB 4.17Å; F234-C251 HydrophobicContact CE1-CB 3.91Å; F234-C251 HydrophobicContact CZ-CB 4.2Å; F234-C251 PolarHBondContact O-N 2.96Å; F234-C251 VanDerWaalsContact O-N 3.1Å; C251-F287 HydrophobicContact CB-CB 4.35Å; C251-F287 HydrophobicContact CB-CD2 4.08Å |
| 252 | S | 96.2 | Very high | 93.1 | Very high | 4 Ų | 4 | 30.9 Ų | 30.9 | 3% | 0.028 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 172.1 | 179.1 | -61 | 0 | 0 | 0 | 0 | 110 | G232 N254 Y255 | G232-S252 WeakPolarHBondContact CA-OG 3.34Å; S252-N254 PolarHBondContact O-N 3.34Å; S252-Y255 CarbonylContact C-O 3.54Å; S252-Y255 PolarHBondContact N-O 2.86Å; S252-Y255 PolarHBondContact O-N 2.8Å |
| 253 | E | 95.3 | Very high | 93.1 | Very high | 101 Ų | 101 | 32.8 Ų | 32.8 | 47% | 0.472 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | 123.1 | 172.4 | -168.8 | 168.2 | -161.7 | 0 | 0 | 110.4 | Y255 G284 I286 | E253-Y255 VanDerWaalsContact O-CD2 3.32Å; E253-Y255 WeakPolarHBondContact O-CD2 3.39Å; E253-Y255 PolarHBondContact O-N 3.25Å; E253-G284 WeakPolarHBondContact OE1-CA 3.27Å; E253-I286 HydrophobicContact CB-CG2 4.16Å; E253-I286 HydrophobicContact CG-CG2 4.41Å |
| 254 | N | 94.2 | Very high | 93.3 | Very high | 57 Ų | 57 | 30 Ų | 30 | 31% | 0.305 | 17% | 0.168 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 61.6 | -0.4 | -177.3 | -54.4 | -45.6 | 0 | 0 | 0 | 116.9 | S252 P270 I271 G284 M285 | S252-N254 PolarHBondContact O-N 3.34Å; N254-P270 CarbonylContact O-C 3.44Å; N254-P270 WeakPolarHBondContact O-CA 3.29Å; N254-I271 PolarHBondContact O-N 2.93Å; N254-G284 WeakPolarHBondContact OD1-CA 3.36Å; N254-M285 PolarHBondContact N-O 3.47Å; N254-M285 PolarHBondContact OD1-N 3.28Å |
| 255 | Y | 95.3 | Very high | 93.5 | Very high | 73 Ų | 73 | 32.9 Ų | 32.9 | 29% | 0.286 | 18% | 0.182 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 151.2 | -175.2 | -66.6 | -80.5 | 0 | 0 | 0 | 113.2 | S252 E253 C269 P270 | S252-Y255 CarbonylContact C-O 3.54Å; S252-Y255 PolarHBondContact N-O 2.86Å; S252-Y255 PolarHBondContact O-N 2.8Å; E253-Y255 VanDerWaalsContact O-CD2 3.32Å; E253-Y255 WeakPolarHBondContact O-CD2 3.39Å; E253-Y255 PolarHBondContact O-N 3.25Å; Y255-C269 WeakPolarHBondContact CA-O 3.26Å; Y255-P270 HydrophobicContact CD1-CB 4.25Å; Y255-P270 HydrophobicContact CE1-CB 4.07Å |
| 256 | I | 96.6 | Very high | 93.5 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 130.4 | 160.3 | -172.2 | 169.6 | 0 | 0 | 0 | 109.1 | L249 R268 C269 F287 V313 I325 L327 | L249-I256 HydrophobicContact CB-CD1 4.32Å; L249-I256 HydrophobicContact CB-CG1 4.37Å; L249-I256 HydrophobicContact CD1-CD1 4.32Å; L249-I256 HydrophobicContact CD2-CD1 4.31Å; L249-I256 HydrophobicContact CD2-CG1 4.31Å; I256-R268 WeakPolarHBondContact O-CA 3.48Å; I256-C269 HydrophobicContact CG2-CB 3.88Å; I256-C269 PolarHBondContact N-O 2.83Å; I256-C269 PolarHBondContact O-N 3.32Å; I256-F287 HydrophobicContact CB-CE2 4.26Å; I256-V313 HydrophobicContact CD1-CG1 4.27Å; I256-V313 HydrophobicContact CD1-CG2 4.47Å; I256-I325 HydrophobicContact CG2-CG2 4.49Å; I256-L327 HydrophobicContact CG2-CD1 4.04Å; I256-L327 HydrophobicContact CG2-CD2 4.05Å |
| 257 | T | 96.6 | Very high | 93.5 | Very high | 15 Ų | 15 | 36.3 Ų | 36.3 | 9% | 0.092 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 124.3 | -176.2 | -54.9 | 0 | 0 | 0 | 0 | 109.7 | L249 I250 I267 R268 | L249-T257 CarbonylContact C-O 3.57Å; L249-T257 WeakPolarHBondContact CA-O 3.45Å; I250-T257 HydrophobicContact CD1-CG2 4.42Å; I250-T257 WeakPolarHBondContact CD1-O 3.46Å; I250-T257 PolarHBondContact N-O 3.5Å; I250-T257 PolarHBondContact O-N 2.82Å; T257-I267 CarbonylContact C-O 3.58Å; T257-I267 VanDerWaalsContact CA-O 3.3Å; T257-I267 WeakPolarHBondContact CA-O 3.47Å; T257-R268 HydrophobicContact CG2-CG 3.83Å |
| 258 | Y | 97.1 | Very high | 93.4 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 127.7 | 167.3 | 176.8 | -109 | 0 | 0 | 0 | 109.2 | V238 S246 L249 N260 Q264 I267 L315 V322 | V238-Y258 HydrophobicContact CB-CE2 4.36Å; V238-Y258 HydrophobicContact CG1-CE2 4.31Å; V238-Y258 HydrophobicContact CG2-CD2 4.17Å; V238-Y258 HydrophobicContact CG2-CE2 3.95Å; S246-Y258 PolarHBondContact O-OH 2.85Å; L249-Y258 HydrophobicContact CD2-CD2 3.92Å; L249-Y258 HydrophobicContact CD2-CG 4.26Å; L249-Y258 HydrophobicContact CG-CD2 4.41Å; Y258-N260 HydrophobicContact CE1-CB 4.15Å; Y258-Q264 HydrophobicContact CD1-CG 4.39Å; Y258-Q264 HydrophobicContact CE1-CG 3.81Å; Y258-I267 PolarHBondContact N-O 2.89Å; Y258-I267 PolarHBondContact O-N 2.93Å; Y258-I267 VanDerWaalsContact O-N 3.15Å; Y258-L315 HydrophobicContact CD2-CD1 4.22Å; Y258-L315 HydrophobicContact CE2-CD1 4.27Å; Y258-V322 HydrophobicContact CD1-CB 3.8Å; Y258-V322 HydrophobicContact CD1-CG1 3.98Å; Y258-V322 HydrophobicContact CD1-CG2 3.87Å; Y258-V322 HydrophobicContact CE1-CB 3.49Å; Y258-V322 VanDerWaalsContact CE1-CB 3.49Å; Y258-V322 HydrophobicContact CE1-CG1 4.13Å; Y258-V322 HydrophobicContact CE1-CG2 3.16Å; Y258-V322 HydrophobicContact CE2-CG2 4.36Å; Y258-V322 VanDerWaalsContact CZ-CG2 3.44Å; Y258-V322 WeakPolarHBondContact OH-CG2 3.38Å |
| 259 | K | 94.9 | Very high | 93.3 | Very high | 4 Ų | 4 | 39.6 Ų | 39.6 | 2% | 0.017 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 125.7 | 177.5 | -167.3 | 155.2 | -174.7 | 148.4 | 0 | 109.8 | L208 E226 V248 I250 D266 | L208-K259 HydrophobicContact CD2-CB 4.15Å; L208-K259 HydrophobicContact CD2-CD 3.95Å; L208-K259 HydrophobicContact CD2-CG 4.05Å; E226-K259 WeakPolarHBondContact OE2-CE 3.26Å; E226-K259 IonicContact OE2-NZ 2.77Å; E226-K259 PolarHBondContact OE2-NZ 3.37Å; V248-K259 PolarHBondContact N-O 2.49Å; V248-K259 VanDerWaalsContact N-O 3.12Å; V248-K259 PolarHBondContact O-N 2.75Å; I250-K259 HydrophobicContact CD1-CB 3.51Å; K259-D266 VanDerWaalsContact CD-OD1 3.23Å; K259-D266 WeakPolarHBondContact CD-OD1 3.47Å; K259-D266 WeakPolarHBondContact CE-OD1 3.49Å; K259-D266 WeakPolarHBondContact CG-OD1 3.32Å; K259-D266 IonicContact NZ-OD1 3.77Å; K259-D266 PolarHBondContact NZ-OD1 2.88Å; K259-D266 IonicContact NZ-OD2 3.21Å; K259-D266 PolarHBondContact NZ-OD2 3.35Å |
| 260 | N | 90.9 | Very high | 93.1 | Very high | 16 Ų | 16 | 40.6 Ų | 40.6 | 9% | 0.086 | 22% | 0.218 | C | C | . | . | trans | -123.4 | 160.6 | 174.4 | -162.2 | 13.6 | 0 | 0 | 0 | 109.7 | P245 G247 Y258 Q264 | P245-N260 PolarHBondContact O-ND2 3.39Å; G247-N260 VanDerWaalsContact CA-OD1 3.23Å; G247-N260 WeakPolarHBondContact CA-OD1 3.39Å; G247-N260 PolarHBondContact N-OD1 3.45Å; Y258-N260 HydrophobicContact CE1-CB 4.15Å; N260-Q264 HydrophobicContact CB-CB 4Å; N260-Q264 HydrophobicContact CB-CG 3.92Å | ||
| 261 | F | 80.4 | Confident | 93 | Very high | 92 Ų | 92 | 40.8 Ų | 40.8 | 40% | 0.404 | 22% | 0.218 | S | C | . | . | S | Bend | trans | -75.8 | 153.8 | 176 | 68.6 | -85.3 | 0 | 0 | 0 | 111 | M181 | M181-F261 HydrophobicContact CE-CD1 3.46Å; M181-F261 VanDerWaalsContact CE-CD1 3.46Å; M181-F261 HydrophobicContact CE-CE1 3.38Å; M181-F261 HydrophobicContact CE-CG 4.14Å; M181-F261 HydrophobicContact CE-CZ 4Å |
| 262 | G | 83.3 | Confident | 92.8 | Very high | 52 Ų | 52 | 40.9 Ų | 40.9 | 54% | 0.536 | 22% | 0.219 | S | C | . | . | S | Bend | trans | 97.4 | -140.3 | 176 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q264 | G262-Q264 VanDerWaalsContact C-N 3.29Å; G262-Q264 PolarHBondContact O-N 3.04Å |
| 263 | D | 86.8 | Confident | 92.7 | Very high | 154 Ų | 154 | 42.9 Ų | 42.9 | 82% | 0.824 | 23% | 0.226 | S | C | * | . | S | Bend | trans | -87.5 | 5.6 | -174.2 | -59.5 | -39.2 | 0 | 0 | 0 | 113.4 | P265 M321 | D263-P265 WeakPolarHBondContact O-CD 3.43Å; D263-M321 HydrophobicContact CB-CE 3.83Å |
| 264 | Q | 90.6 | Very high | 92.6 | Very high | 11 Ų | 11 | 39 Ų | 39 | 5% | 0.051 | 21% | 0.207 | C | C | . | . | P | Polyproline II helix | trans | -71.2 | 123.3 | 179 | 177.3 | 68.5 | 56.2 | 0 | 0 | 110.2 | Y258 N260 G262 M321 V322 | Y258-Q264 HydrophobicContact CD1-CG 4.39Å; Y258-Q264 HydrophobicContact CE1-CG 3.81Å; N260-Q264 HydrophobicContact CB-CB 4Å; N260-Q264 HydrophobicContact CB-CG 3.92Å; G262-Q264 VanDerWaalsContact C-N 3.29Å; G262-Q264 PolarHBondContact O-N 3.04Å; Q264-M321 HydrophobicContact CB-SD 3.94Å; Q264-M321 PolarHBondContact OE1-SD 3.31Å; Q264-V322 PolarHBondContact NE2-O 3.07Å |
| 265 | P | 91.8 | Very high | 92.3 | Very high | 82 Ų | 82 | 42.6 Ų | 42.6 | 53% | 0.532 | 22% | 0.217 | S | C | . | . | P | Polyproline II helix | trans | -70.9 | 153.1 | 174 | 29.7 | -36 | 0 | 0 | 0 | 111.8 | D263 I267 | D263-P265 WeakPolarHBondContact O-CD 3.43Å; P265-I267 PolarHBondContact O-N 2.86Å |
| 266 | D | 93.3 | Very high | 91.9 | Very high | 84 Ų | 84 | 41.6 Ų | 41.6 | 45% | 0.449 | 22% | 0.216 | S | C | . | . | P | Polyproline II helix | trans | -66.3 | 121.6 | 171.3 | -68.2 | -3.7 | 0 | 0 | 0 | 109.5 | K259 | K259-D266 VanDerWaalsContact CD-OD1 3.23Å; K259-D266 WeakPolarHBondContact CD-OD1 3.47Å; K259-D266 WeakPolarHBondContact CE-OD1 3.49Å; K259-D266 WeakPolarHBondContact CG-OD1 3.32Å; K259-D266 IonicContact NZ-OD1 3.77Å; K259-D266 PolarHBondContact NZ-OD1 2.88Å; K259-D266 IonicContact NZ-OD2 3.21Å; K259-D266 PolarHBondContact NZ-OD2 3.35Å |
| 267 | I | 94.6 | Very high | 91.3 | Very high | 17 Ų | 17 | 43.3 Ų | 43.3 | 9% | 0.087 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 123 | 178.6 | -60.2 | 169.9 | 0 | 0 | 0 | 108.3 | T257 Y258 P265 V322 I325 S375 | T257-I267 CarbonylContact C-O 3.58Å; T257-I267 VanDerWaalsContact CA-O 3.3Å; T257-I267 WeakPolarHBondContact CA-O 3.47Å; Y258-I267 PolarHBondContact N-O 2.89Å; Y258-I267 PolarHBondContact O-N 2.93Å; Y258-I267 VanDerWaalsContact O-N 3.15Å; P265-I267 PolarHBondContact O-N 2.86Å; I267-V322 HydrophobicContact CD1-CB 4.02Å; I267-V322 HydrophobicContact CD1-CG1 3.81Å; I267-V322 WeakPolarHBondContact CD1-O 3.06Å; I267-I325 HydrophobicContact CB-CD1 4.36Å; I267-I325 HydrophobicContact CB-CG1 4.4Å; I267-I325 HydrophobicContact CG2-CD1 4Å; I267-I325 HydrophobicContact CG2-CG1 3.76Å; I267-I325 WeakPolarHBondContact O-CD1 3.45Å; I267-S375 VanDerWaalsContact CG2-OG 3.3Å; I267-S375 WeakPolarHBondContact CG2-OG 3.29Å |
| 268 | R | 92.7 | Very high | 90.9 | Very high | 69 Ų | 69 | 44 Ų | 44 | 26% | 0.26 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 139.2 | -175.8 | -60.7 | 177.8 | 66.2 | -163.9 | -0.4 | 110.2 | E229 I256 T257 S375 | E229-R268 IonicContact OE1-CZ 2.84Å; E229-R268 IonicContact OE1-NH1 2.74Å; E229-R268 PolarHBondContact OE1-NH1 2.75Å; E229-R268 IonicContact OE1-NH2 3.23Å; E229-R268 IonicContact OE2-CZ 3.08Å; E229-R268 IonicContact OE2-NH1 4Å; E229-R268 PolarHBondContact OE2-NH1 3.12Å; I256-R268 WeakPolarHBondContact O-CA 3.48Å; T257-R268 HydrophobicContact CG2-CG 3.83Å; R268-S375 WeakPolarHBondContact O-CB 3.42Å |
| 269 | C | 94.1 | Very high | 90.4 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 131.9 | 170.7 | -163.8 | 0 | 0 | 0 | 0 | 109.7 | Y255 I256 I325 L327 | Y255-C269 WeakPolarHBondContact CA-O 3.26Å; I256-C269 HydrophobicContact CG2-CB 3.88Å; I256-C269 PolarHBondContact N-O 2.83Å; I256-C269 PolarHBondContact O-N 3.32Å; C269-I325 HydrophobicContact CB-CB 4.35Å; C269-L327 HydrophobicContact CB-CD1 3.88Å |
| 270 | P | 94.7 | Very high | 89.8 | Confident | 21 Ų | 21 | 46 Ų | 46 | 14% | 0.136 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 145.9 | 173.8 | 28.2 | -32.8 | 0 | 0 | 0 | 111.1 | N254 Y255 P272 L379 F385 | N254-P270 CarbonylContact O-C 3.44Å; N254-P270 WeakPolarHBondContact O-CA 3.29Å; Y255-P270 HydrophobicContact CD1-CB 4.25Å; Y255-P270 HydrophobicContact CE1-CB 4.07Å; P270-P272 WeakPolarHBondContact O-CD 3.49Å; P270-L379 HydrophobicContact CG-CD1 3.82Å; P270-F385 HydrophobicContact CG-CD2 3.89Å; P270-F385 HydrophobicContact CG-CE2 3.79Å |
| 271 | I | 95.4 | Very high | 89.3 | Confident | 4 Ų | 4 | 49.9 Ų | 49.9 | 2% | 0.021 | 27% | 0.265 | C | S | . | . | P | Polyproline II helix | trans | -72.6 | 122 | 175.6 | -61.5 | 174.5 | 0 | 0 | 0 | 108.4 | N254 M285 F287 T305 T384 | N254-I271 PolarHBondContact O-N 2.93Å; I271-M285 HydrophobicContact CG2-CG 4.15Å; I271-F287 HydrophobicContact CD1-CD2 3.82Å; I271-F287 HydrophobicContact CD1-CE2 3.44Å; I271-F287 VanDerWaalsContact CD1-CE2 3.44Å; I271-F287 HydrophobicContact CD1-CZ 4.03Å; I271-F287 HydrophobicContact CG1-CD2 4.45Å; I271-F287 HydrophobicContact CG1-CE2 3.59Å; I271-F287 HydrophobicContact CG1-CZ 3.89Å; I271-F287 HydrophobicContact CG2-CZ 4.2Å; I271-T305 HydrophobicContact CG2-CG2 4.25Å; I271-T384 PolarHBondContact O-OG1 2.85Å; I271-T384 VanDerWaalsContact O-OG1 3.08Å |
| 272 | P | 94.5 | Very high | 89.5 | Confident | 3 Ų | 3 | 54.2 Ų | 54.2 | 2% | 0.019 | 29% | 0.287 | C | S | . | . | P | Polyproline II helix | trans | -62.2 | 140.9 | 177.6 | -22.1 | 33.4 | 0 | 0 | 0 | 111.9 | P270 F311 F373 F385 F387 | P270-P272 WeakPolarHBondContact O-CD 3.49Å; P272-F311 HydrophobicContact CB-CE1 3.82Å; P272-F311 HydrophobicContact CB-CZ 3.97Å; P272-F311 HydrophobicContact CG-CD1 4.34Å; P272-F311 HydrophobicContact CG-CE1 3.69Å; P272-F311 HydrophobicContact CG-CZ 4.17Å; P272-F373 HydrophobicContact CB-CD2 4.01Å; P272-F373 HydrophobicContact CB-CE2 3.84Å; P272-F373 HydrophobicContact CG-CD2 3.44Å; P272-F373 VanDerWaalsContact CG-CD2 3.44Å; P272-F373 HydrophobicContact CG-CE2 3.8Å; P272-F373 HydrophobicContact CG-CG 4.23Å; P272-F385 CarbonylContact C-O 3.57Å; P272-F385 VanDerWaalsContact CA-O 3.29Å; P272-F385 WeakPolarHBondContact CA-O 3.46Å; P272-F385 HydrophobicContact CB-CB 4.03Å; P272-F385 HydrophobicContact CG-CB 4.22Å; P272-F387 HydrophobicContact CB-CD1 3.92Å; P272-F387 HydrophobicContact CB-CE1 4.42Å |
| 273 | R | 93.3 | Very high | 89.7 | Confident | 45 Ų | 45 | 54.4 Ų | 54.4 | 17% | 0.17 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 155.9 | 176.7 | -63.9 | -165.5 | 80.5 | 152.3 | 6.8 | 111.8 | R283 T384 F385 F386 F387 | R273-R283 PolarHBondContact NH1-O 2.87Å; R273-R283 PolarHBondContact NH2-O 2.72Å; R273-R283 VanDerWaalsContact NH2-O 3.12Å; R273-T384 HydrophobicContact CB-CG2 4.26Å; R273-T384 HydrophobicContact CG-CG2 3.97Å; R273-F385 PolarHBondContact N-O 2.82Å; R273-F386 HydrophobicContact CB-CD1 4.16Å; R273-F386 HydrophobicContact CB-CE1 4.11Å; R273-F386 VanDerWaalsContact O-CA 3.23Å; R273-F386 WeakPolarHBondContact O-CA 3.43Å; R273-F387 VanDerWaalsContact C-CE1 3.5Å; R273-F387 WeakPolarHBondContact O-CD1 3.4Å; R273-F387 PolarHBondContact O-N 2.75Å |
| 274 | R | 93.2 | Very high | 89.8 | Confident | 21 Ų | 21 | 47.5 Ų | 47.5 | 8% | 0.079 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.3 | 140.9 | 172.3 | -65.7 | 179.9 | -179.8 | -175.9 | 3.1 | 109.6 | N276 D277 Q307 D309 F387 P389 F852 | R274-N276 PolarHBondContact O-N 2.95Å; R274-D277 HydrophobicContact CB-CB 4.4Å; R274-Q307 PolarHBondContact NH2-O 3.22Å; R274-D309 IonicContact CZ-OD1 2.9Å; R274-D309 IonicContact CZ-OD2 2.67Å; R274-D309 IonicContact NE-OD1 3.69Å; R274-D309 PolarHBondContact NE-OD1 2.94Å; R274-D309 IonicContact NE-OD2 3.56Å; R274-D309 PolarHBondContact NE-OD2 2.79Å; R274-D309 VanDerWaalsContact NH2-CG 3.27Å; R274-D309 IonicContact NH2-OD1 3.73Å; R274-D309 PolarHBondContact NH2-OD1 3.43Å; R274-D309 IonicContact NH2-OD2 3.02Å; R274-D309 PolarHBondContact NH2-OD2 2.79Å; R274-D309 VanDerWaalsContact NH2-OD2 3.14Å; R274-F387 WeakPolarHBondContact CA-O 3.25Å; R274-F387 HydrophobicContact CG-CE1 3.97Å; R274-F387 HydrophobicContact CG-CE2 4.16Å; R274-F387 HydrophobicContact CG-CZ 3.57Å; R274-P389 HydrophobicContact CG-CG 4.46Å; R274-F852 VanDerWaalsContact CZ-O 3.32Å; R274-F852 PolarHBondContact NH1-O 2.78Å; R274-F852 PolarHBondContact NH2-O 3.28Å |
| 275 | R | 88.2 | Confident | 90 | Very high | 132 Ų | 132 | 47.2 Ų | 47.2 | 50% | 0.498 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | 134.8 | 170.5 | -75.8 | -175 | 179.7 | -178.9 | 0.5 | 110.2 | D277 F386 F387 | R275-D277 VanDerWaalsContact C-N 3.27Å; R275-D277 PolarHBondContact O-N 2.81Å; R275-F386 HydrophobicContact CG-CB 3.69Å; R275-F386 HydrophobicContact CG-CG 4.5Å; R275-F387 PolarHBondContact N-O 2.89Å |
| 276 | N | 85.8 | Confident | 90.2 | Very high | 52 Ų | 52 | 45.4 Ų | 45.4 | 28% | 0.278 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.5 | 43.3 | 174.4 | -52 | 98.6 | 0 | 0 | 0 | 113 | R274 L278 M819 M823 F842 | R274-N276 PolarHBondContact O-N 2.95Å; N276-L278 PolarHBondContact O-N 3.45Å; N276-M819 VanDerWaalsContact C-CE 3.5Å; N276-M819 HydrophobicContact CB-CE 4Å; N276-M819 WeakPolarHBondContact O-CE 3.47Å; N276-M823 PolarHBondContact ND2-SD 2.94Å; N276-F842 HydrophobicContact CB-CD2 4.1Å; N276-F842 HydrophobicContact CB-CE2 3.72Å; N276-F842 HydrophobicContact CB-CZ 4.02Å |
| 277 | D | 85.4 | Confident | 90.5 | Very high | 35 Ų | 35 | 41.4 Ų | 41.4 | 19% | 0.187 | 20% | 0.199 | C | C | . | . | trans | -61.9 | 131.9 | 179.9 | -159.7 | -1.5 | 0 | 0 | 0 | 111.3 | R274 R275 D279 Q307 M819 | R274-D277 HydrophobicContact CB-CB 4.4Å; R275-D277 VanDerWaalsContact C-N 3.27Å; R275-D277 PolarHBondContact O-N 2.81Å; D277-D279 PolarHBondContact O-N 2.96Å; D277-D279 PolarHBondContact OD1-N 3.24Å; D277-Q307 PolarHBondContact OD2-NE2 2.92Å; D277-M819 WeakPolarHBondContact O-CE 3.37Å | ||
| 278 | L | 87.1 | Confident | 90.6 | Very high | 29 Ų | 29 | 43 Ų | 43 | 15% | 0.152 | 21% | 0.21 | C | C | . | . | trans | -79 | -12.1 | 178.9 | -81.3 | 128.6 | 0 | 0 | 0 | 112.1 | N276 R815 K816 M819 F842 P855 | N276-L278 PolarHBondContact O-N 3.45Å; L278-R815 HydrophobicContact CD2-CB 4.27Å; L278-R815 HydrophobicContact CD2-CG 4.24Å; L278-R815 PolarHBondContact O-NE 3.06Å; L278-R815 VanDerWaalsContact O-NE 3.08Å; L278-R815 PolarHBondContact O-NH2 2.92Å; L278-K816 HydrophobicContact CD2-CB 4.34Å; L278-M819 HydrophobicContact CG-SD 4.33Å; L278-F842 HydrophobicContact CD1-CZ 4.42Å; L278-P855 HydrophobicContact CB-CB 3.69Å; L278-P855 HydrophobicContact CB-CG 4.01Å; L278-P855 HydrophobicContact CD1-CG 4.32Å | ||
| 279 | D | 87.4 | Confident | 90.8 | Very high | 6 Ų | 6 | 40.1 Ų | 40.1 | 3% | 0.032 | 20% | 0.2 | C | C | . | . | S | Bend | trans | -56 | 160.8 | 173.9 | -79.1 | 14.9 | 0 | 0 | 0 | 111.9 | D277 P281 R283 Q307 R815 P855 K856 | D277-D279 PolarHBondContact O-N 2.96Å; D277-D279 PolarHBondContact OD1-N 3.24Å; D279-P281 WeakPolarHBondContact O-CD 3.47Å; D279-R283 IonicContact OD2-NH1 3.09Å; D279-R283 PolarHBondContact OD2-NH1 3.17Å; D279-R283 VanDerWaalsContact OD2-NH1 3.17Å; D279-Q307 PolarHBondContact OD2-NE2 2.93Å; D279-R815 PolarHBondContact O-NH2 3.2Å; D279-P855 VanDerWaalsContact OD1-CA 3.24Å; D279-P855 WeakPolarHBondContact OD1-CA 3.27Å; D279-K856 WeakPolarHBondContact CA-O 3.39Å; D279-K856 PolarHBondContact OD1-N 3.04Å |
| 280 | D | 82.8 | Confident | 91 | Very high | 40 Ų | 40 | 41.8 Ų | 41.8 | 21% | 0.214 | 21% | 0.211 | C | C | . | . | trans | -63.1 | 121.9 | 170.8 | -164.5 | -25.5 | 0 | 0 | 0 | 110.9 | E282 R283 K856 | D280-E282 PolarHBondContact O-N 2.88Å; D280-E282 PolarHBondContact OD1-N 2.85Å; D280-E282 VanDerWaalsContact OD1-N 3.13Å; D280-R283 HydrophobicContact CB-CB 4.35Å; D280-R283 VanDerWaalsContact O-CB 3.31Å; D280-R283 WeakPolarHBondContact O-CB 3.4Å; D280-R283 PolarHBondContact O-N 2.9Å; D280-R283 VanDerWaalsContact O-N 3.09Å; D280-K856 PolarHBondContact N-O 3.36Å | ||
| 281 | P | 80.8 | Confident | 91.1 | Very high | 98 Ų | 98 | 41 Ų | 41 | 64% | 0.636 | 21% | 0.207 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | -29 | 178.6 | -24.9 | 35.2 | 0 | 0 | 0 | 114 | D279 R283 | D279-P281 WeakPolarHBondContact O-CD 3.47Å; P281-R283 PolarHBondContact O-N 3.29Å |
| 282 | E | 83.5 | Confident | 91 | Very high | 183 Ų | 183 | 43.3 Ų | 43.3 | 86% | 0.855 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.6 | -14.5 | 178.7 | -65.7 | -171.8 | 173.3 | 0 | 0 | 112.7 | D280 | D280-E282 PolarHBondContact O-N 2.88Å; D280-E282 PolarHBondContact OD1-N 2.85Å; D280-E282 VanDerWaalsContact OD1-N 3.13Å |
| 283 | R | 87.1 | Confident | 90.9 | Very high | 56 Ų | 56 | 44.5 Ų | 44.5 | 21% | 0.211 | 23% | 0.227 | C | C | . | . | trans | -84 | 124.4 | -179.6 | -174 | 172.5 | 175.1 | -112.8 | -6.3 | 111 | R273 D279 D280 P281 E306 | R273-R283 PolarHBondContact NH1-O 2.87Å; R273-R283 PolarHBondContact NH2-O 2.72Å; R273-R283 VanDerWaalsContact NH2-O 3.12Å; D279-R283 IonicContact OD2-NH1 3.09Å; D279-R283 PolarHBondContact OD2-NH1 3.17Å; D279-R283 VanDerWaalsContact OD2-NH1 3.17Å; D280-R283 HydrophobicContact CB-CB 4.35Å; D280-R283 VanDerWaalsContact O-CB 3.31Å; D280-R283 WeakPolarHBondContact O-CB 3.4Å; D280-R283 PolarHBondContact O-N 2.9Å; D280-R283 VanDerWaalsContact O-N 3.09Å; P281-R283 PolarHBondContact O-N 3.29Å; R283-E306 IonicContact CZ-OE2 3.67Å; R283-E306 IonicContact NH2-OE2 2.68Å; R283-E306 PolarHBondContact NH2-OE2 2.88Å | ||
| 284 | G | 90.2 | Very high | 90.7 | Very high | 9 Ų | 9 | 46.2 Ų | 46.2 | 9% | 0.093 | 24% | 0.235 | C | C | . | . | trans | -73.9 | 171.3 | 170.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | E253 N254 | E253-G284 WeakPolarHBondContact OE1-CA 3.27Å; N254-G284 WeakPolarHBondContact OD1-CA 3.36Å | ||
| 285 | M | 93.7 | Very high | 90.3 | Very high | 6 Ų | 6 | 47.8 Ų | 47.8 | 3% | 0.03 | 25% | 0.247 | C | C | . | . | trans | -122.7 | 137.9 | -178.6 | -171 | 61.2 | 67.7 | 0 | 0 | 110.5 | N254 I271 T305 E306 Q307 | N254-M285 PolarHBondContact N-O 3.47Å; N254-M285 PolarHBondContact OD1-N 3.28Å; I271-M285 HydrophobicContact CG2-CG 4.15Å; M285-T305 HydrophobicContact CG-CG2 4.34Å; M285-E306 HydrophobicContact SD-CB 4.07Å; M285-E306 HydrophobicContact SD-CG 4.39Å; M285-Q307 HydrophobicContact CE-CG 3.8Å | ||
| 286 | I | 97.1 | Very high | 89.8 | Confident | 44 Ų | 44 | 52 Ų | 52 | 23% | 0.226 | 27% | 0.269 | C | S | . | . | trans | -127.9 | 163.5 | 172.8 | 61.3 | 175.4 | 0 | 0 | 0 | 110.6 | E253 T305 E306 | E253-I286 HydrophobicContact CB-CG2 4.16Å; E253-I286 HydrophobicContact CG-CG2 4.41Å; I286-T305 WeakPolarHBondContact O-CA 3.34Å; I286-E306 HydrophobicContact CD1-CG 4.4Å; I286-E306 VanDerWaalsContact CD1-OE1 3.31Å; I286-E306 WeakPolarHBondContact CD1-OE1 3.37Å; I286-E306 HydrophobicContact CG1-CG 3.56Å; I286-E306 WeakPolarHBondContact CG1-OE1 3.27Å; I286-E306 PolarHBondContact O-N 2.62Å | ||
| 287 | F | 97.9 | Very high | 89.4 | Confident | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 144.3 | 163.9 | -64.8 | -72.5 | 0 | 0 | 0 | 110.4 | N233 F234 C251 I256 I271 A303 Q304 T305 F311 | N233-F287 PolarHBondContact ND2-O 2.8Å; F234-F287 HydrophobicContact CE1-CB 3.76Å; F234-F287 WeakPolarHBondContact CE1-O 3.48Å; F234-F287 HydrophobicContact CZ-CB 3.94Å; C251-F287 HydrophobicContact CB-CB 4.35Å; C251-F287 HydrophobicContact CB-CD2 4.08Å; I256-F287 HydrophobicContact CB-CE2 4.26Å; I271-F287 HydrophobicContact CD1-CD2 3.82Å; I271-F287 HydrophobicContact CD1-CE2 3.44Å; I271-F287 VanDerWaalsContact CD1-CE2 3.44Å; I271-F287 HydrophobicContact CD1-CZ 4.03Å; I271-F287 HydrophobicContact CG1-CD2 4.45Å; I271-F287 HydrophobicContact CG1-CE2 3.59Å; I271-F287 HydrophobicContact CG1-CZ 3.89Å; I271-F287 HydrophobicContact CG2-CZ 4.2Å; F287-A303 HydrophobicContact CD1-CB 3.58Å; F287-A303 HydrophobicContact CE1-CB 3.65Å; F287-A303 HydrophobicContact CG-CB 4.14Å; F287-A303 HydrophobicContact CZ-CB 4.25Å; F287-Q304 CarbonylContact C-O 3.59Å; F287-Q304 WeakPolarHBondContact CA-O 3.18Å; F287-T305 HydrophobicContact CD1-CG2 4Å; F287-T305 HydrophobicContact CE1-CG2 3.8Å; F287-F311 HydrophobicContact CE1-CD2 4.04Å |
| 288 | V | 97.6 | Very high | 89.5 | Confident | 50 Ų | 50 | 56.8 Ų | 56.8 | 30% | 0.303 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | -31.5 | 178.7 | -64.1 | 0 | 0 | 0 | 0 | 112.8 | Q304 E306 V335 | V288-Q304 HydrophobicContact CG2-CB 4.2Å; V288-Q304 HydrophobicContact CG2-CG 4.34Å; V288-Q304 WeakPolarHBondContact CG2-O 3.25Å; V288-Q304 PolarHBondContact N-O 3.05Å; V288-E306 HydrophobicContact CG1-CB 4.34Å; V288-E306 HydrophobicContact CG1-CG 3.87Å; V288-V335 HydrophobicContact CG1-CG1 4.44Å; V288-V335 HydrophobicContact CG2-CG1 4.04Å |
| 289 | C | 97.3 | Very high | 89.8 | Confident | 9 Ų | 9 | 56.6 Ų | 56.6 | 6% | 0.061 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.6 | 166.9 | 177.1 | 68.7 | 0 | 0 | 0 | 0 | 111 | Q304 A336 | C289-Q304 PolarHBondContact O-N 2.97Å; C289-A336 PolarHBondContact SG-O 3.38Å |
| 290 | S | 97.4 | Very high | 90.1 | Very high | 34 Ų | 34 | 56.8 Ų | 56.8 | 24% | 0.238 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 153.8 | 174.4 | 67.8 | 0 | 0 | 0 | 0 | 111 | L302 | S290-L302 CarbonylContact C-O 3.48Å; S290-L302 VanDerWaalsContact CA-O 3.25Å; S290-L302 WeakPolarHBondContact CA-O 3.1Å |
| 291 | A | 96.5 | Very high | 90.8 | Very high | 6 Ų | 6 | 54.9 Ų | 54.9 | 5% | 0.05 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 133.8 | 165.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | F301 L302 M339 V341 | A291-F301 CarbonylContact O-C 3.57Å; A291-F301 WeakPolarHBondContact O-CA 3.47Å; A291-L302 HydrophobicContact CB-CB 4.49Å; A291-L302 PolarHBondContact N-O 3Å; A291-L302 PolarHBondContact O-N 2.84Å; A291-M339 HydrophobicContact CB-CB 3.81Å; A291-V341 HydrophobicContact CB-CG2 3.76Å |
| 292 | T | 94.5 | Very high | 91.6 | Very high | 51 Ų | 51 | 50.3 Ų | 50.3 | 31% | 0.313 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 123.3 | 176.8 | -56.8 | 0 | 0 | 0 | 0 | 109.1 | P239 F301 | P239-T292 HydrophobicContact CG-CG2 4.46Å; T292-F301 HydrophobicContact CG2-CD1 3.84Å; T292-F301 HydrophobicContact CG2-CE1 3.61Å; T292-F301 WeakPolarHBondContact OG1-CD1 3.3Å |
| 293 | H | 93.1 | Very high | 92.3 | Very high | 29 Ų | 29 | 41.6 Ų | 41.6 | 13% | 0.134 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 130.8 | 173.1 | -172.3 | -84.6 | 0 | 0 | 0 | 110.9 | T295 F299 F300 V341 | H293-T295 VanDerWaalsContact CE1-CG2 3.4Å; H293-T295 WeakPolarHBondContact CE1-CG2 3.4Å; H293-F299 WeakPolarHBondContact O-CA 2.95Å; H293-F300 HydrophobicContact CB-CD1 4.45Å; H293-F300 HydrophobicContact CB-CD2 4.49Å; H293-F300 HydrophobicContact CB-CE1 3.96Å; H293-F300 HydrophobicContact CB-CE2 3.99Å; H293-F300 HydrophobicContact CB-CZ 3.7Å; H293-F300 AromaticContact CG-CE1 3.99Å; H293-F300 AromaticContact CG-CZ 3.9Å; H293-F300 PolarHBondContact N-O 3.04Å; H293-F300 AromaticContact ND1-CE1 3.61Å; H293-F300 AromaticContact ND1-CZ 3.96Å; H293-F300 PolarHBondContact O-N 2.93Å; H293-F300 VanDerWaalsContact O-N 3.08Å; H293-V341 HydrophobicContact CB-CB 4.16Å; H293-V341 HydrophobicContact CB-CG1 4.02Å; H293-V341 WeakPolarHBondContact CD2-CG1 3.47Å |
| 294 | K | 88.8 | Confident | 92.9 | Very high | 80 Ų | 80 | 39 Ų | 39 | 35% | 0.348 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 121.5 | -178.9 | -178.1 | 174.3 | 179.5 | 167.9 | 0 | 110.5 | P239 D243 | P239-K294 HydrophobicContact CB-CD 4.47Å; D243-K294 VanDerWaalsContact CB-CE 3.43Å; D243-K294 VanDerWaalsContact CG-CE 3.48Å; D243-K294 VanDerWaalsContact CG-NZ 3.33Å; D243-K294 WeakPolarHBondContact OD2-CE 3Å; D243-K294 IonicContact OD2-NZ 3.54Å; D243-K294 PolarHBondContact OD2-NZ 3.43Å |
| 295 | T | 83.9 | Confident | 93.2 | Very high | 54 Ų | 54 | 38.7 Ų | 38.7 | 33% | 0.331 | 21% | 0.206 | S | C | . | . | trans | -104.9 | 177.4 | 166.1 | 66.6 | 0 | 0 | 0 | 0 | 110 | H293 S297 M298 | H293-T295 VanDerWaalsContact CE1-CG2 3.4Å; H293-T295 WeakPolarHBondContact CE1-CG2 3.4Å; T295-S297 VanDerWaalsContact C-N 3.27Å; T295-S297 PolarHBondContact OG1-N 3.2Å; T295-S297 PolarHBondContact OG1-OG 3Å; T295-M298 WeakPolarHBondContact CA-O 3.48Å; T295-M298 PolarHBondContact N-O 2.67Å; T295-M298 WeakPolarHBondContact OG1-CG 3.33Å; T295-M298 PolarHBondContact OG1-N 3.27Å; T295-M298 PolarHBondContact OG1-O 2.95Å | ||
| 296 | K | 77.6 | Confident | 93.3 | Very high | 221 Ų | 221 | 40.6 Ų | 40.6 | 96% | 0.961 | 22% | 0.215 | S | C | * | . | S | Bend | trans | -70.7 | -22.9 | 174.8 | -72.9 | -174.5 | 175.9 | -177.2 | 0 | 113.4 | ||
| 297 | S | 78.6 | Confident | 93.2 | Very high | 113 Ų | 113 | 39.4 Ų | 39.4 | 79% | 0.79 | 21% | 0.209 | S | C | * | . | S | Bend | trans | -105.5 | -32.5 | -173.3 | 47.5 | 0 | 0 | 0 | 0 | 113.1 | T295 | T295-S297 VanDerWaalsContact C-N 3.27Å; T295-S297 PolarHBondContact OG1-N 3.2Å; T295-S297 PolarHBondContact OG1-OG 3Å |
| 298 | M | 87 | Confident | 93.1 | Very high | 74 Ų | 74 | 39.4 Ų | 39.4 | 37% | 0.365 | 21% | 0.209 | S | C | . | . | trans | -150.6 | 162.1 | -177.1 | 64.6 | -173.5 | -68.5 | 0 | 0 | 111.5 | T295 F300 | T295-M298 WeakPolarHBondContact CA-O 3.48Å; T295-M298 PolarHBondContact N-O 2.67Å; T295-M298 WeakPolarHBondContact OG1-CG 3.33Å; T295-M298 PolarHBondContact OG1-N 3.27Å; T295-M298 PolarHBondContact OG1-O 2.95Å; M298-F300 HydrophobicContact CE-CD1 4.47Å | ||
| 299 | F | 92.8 | Very high | 93.1 | Very high | 26 Ų | 26 | 37.1 Ų | 37.1 | 11% | 0.114 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 153.9 | 166.8 | 63.7 | -89.7 | 0 | 0 | 0 | 109.2 | V238 P239 D243 H293 F301 L315 | V238-F299 HydrophobicContact CG1-CE2 4.21Å; V238-F299 HydrophobicContact CG1-CZ 4.35Å; P239-F299 HydrophobicContact CB-CD1 4.46Å; P239-F299 HydrophobicContact CB-CG 4.48Å; P239-F299 HydrophobicContact CG-CB 4.04Å; P239-F299 HydrophobicContact CG-CD1 4.36Å; P239-F299 HydrophobicContact CG-CD2 4.09Å; P239-F299 HydrophobicContact CG-CG 3.9Å; D243-F299 WeakPolarHBondContact O-CD1 3.42Å; H293-F299 WeakPolarHBondContact O-CA 2.95Å; F299-F301 AromaticContact CD2-CE2 3.84Å; F299-F301 HydrophobicContact CD2-CE2 3.84Å; F299-F301 AromaticContact CD2-CZ 3.74Å; F299-F301 HydrophobicContact CD2-CZ 3.74Å; F299-F301 AromaticContact CE2-CE2 3.78Å; F299-F301 HydrophobicContact CE2-CE2 3.78Å; F299-F301 AromaticContact CE2-CZ 3.84Å; F299-F301 HydrophobicContact CE2-CZ 3.84Å; F299-L315 HydrophobicContact CE2-CB 4.34Å; F299-L315 HydrophobicContact CE2-CD1 4.07Å; F299-L315 HydrophobicContact CE2-CG 4.32Å; F299-L315 HydrophobicContact CZ-CB 4.36Å; F299-L315 HydrophobicContact CZ-CD1 4.4Å |
| 300 | F | 94.8 | Very high | 93.2 | Very high | 10 Ų | 10 | 36.7 Ų | 36.7 | 4% | 0.044 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150 | 164.2 | 173 | 64.3 | -90.5 | 0 | 0 | 0 | 109.1 | H293 M298 L302 K312 T314 L364 | H293-F300 HydrophobicContact CB-CD1 4.45Å; H293-F300 HydrophobicContact CB-CD2 4.49Å; H293-F300 HydrophobicContact CB-CE1 3.96Å; H293-F300 HydrophobicContact CB-CE2 3.99Å; H293-F300 HydrophobicContact CB-CZ 3.7Å; H293-F300 AromaticContact CG-CE1 3.99Å; H293-F300 AromaticContact CG-CZ 3.9Å; H293-F300 PolarHBondContact N-O 3.04Å; H293-F300 AromaticContact ND1-CE1 3.61Å; H293-F300 AromaticContact ND1-CZ 3.96Å; H293-F300 PolarHBondContact O-N 2.93Å; H293-F300 VanDerWaalsContact O-N 3.08Å; M298-F300 HydrophobicContact CE-CD1 4.47Å; F300-L302 HydrophobicContact CD2-CD2 4.17Å; F300-L302 HydrophobicContact CD2-CG 4.33Å; F300-L302 HydrophobicContact CE2-CD1 4.49Å; F300-L302 HydrophobicContact CE2-CD2 4.04Å; F300-L302 HydrophobicContact CE2-CG 4.03Å; F300-K312 HydrophobicContact CB-CG 4.39Å; F300-K312 HydrophobicContact CD2-CG 4.26Å; F300-T314 HydrophobicContact CB-CG2 4.02Å; F300-L364 HydrophobicContact CE1-CD2 4.27Å; F300-L364 HydrophobicContact CZ-CD2 4.17Å |
| 301 | F | 97.3 | Very high | 93.2 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 145.9 | 176.6 | -44.6 | -86.3 | 0 | 0 | 0 | 109.7 | I236 T237 V238 L249 A291 T292 F299 K312 V313 L315 | I236-F301 HydrophobicContact CG2-CD1 3.61Å; I236-F301 HydrophobicContact CG2-CE1 3.81Å; I236-F301 HydrophobicContact CG2-CG 4.45Å; T237-F301 WeakPolarHBondContact O-CE1 3.39Å; V238-F301 HydrophobicContact CB-CZ 4.42Å; V238-F301 HydrophobicContact CG1-CZ 4.38Å; V238-F301 HydrophobicContact CG2-CZ 4.06Å; L249-F301 HydrophobicContact CD1-CD2 3.83Å; L249-F301 HydrophobicContact CD1-CE2 3.76Å; L249-F301 HydrophobicContact CD1-CG 4.32Å; L249-F301 HydrophobicContact CD1-CZ 4.17Å; A291-F301 CarbonylContact O-C 3.57Å; A291-F301 WeakPolarHBondContact O-CA 3.47Å; T292-F301 HydrophobicContact CG2-CD1 3.84Å; T292-F301 HydrophobicContact CG2-CE1 3.61Å; T292-F301 WeakPolarHBondContact OG1-CD1 3.3Å; F299-F301 AromaticContact CD2-CE2 3.84Å; F299-F301 HydrophobicContact CD2-CE2 3.84Å; F299-F301 AromaticContact CD2-CZ 3.74Å; F299-F301 HydrophobicContact CD2-CZ 3.74Å; F299-F301 AromaticContact CE2-CE2 3.78Å; F299-F301 HydrophobicContact CE2-CE2 3.78Å; F299-F301 AromaticContact CE2-CZ 3.84Å; F299-F301 HydrophobicContact CE2-CZ 3.84Å; F301-K312 CarbonylContact O-C 3.56Å; F301-K312 WeakPolarHBondContact O-CA 3.32Å; F301-V313 HydrophobicContact CB-CB 4.17Å; F301-V313 HydrophobicContact CD2-CB 4.25Å; F301-V313 HydrophobicContact CD2-CG1 4.5Å; F301-V313 WeakPolarHBondContact CD2-O 3.48Å; F301-V313 PolarHBondContact N-O 3.45Å; F301-V313 PolarHBondContact O-N 3.49Å; F301-L315 HydrophobicContact CE2-CD1 4.2Å; F301-L315 HydrophobicContact CE2-CG 4.27Å |
| 302 | L | 97.8 | Very high | 93.2 | Very high | 2 Ų | 2 | 35 Ų | 35 | 1% | 0.01 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 113.5 | 164.7 | -62.5 | -177.1 | 0 | 0 | 0 | 107.2 | S290 A291 F300 I310 F311 K312 F330 M339 V341 L347 | S290-L302 CarbonylContact C-O 3.48Å; S290-L302 VanDerWaalsContact CA-O 3.25Å; S290-L302 WeakPolarHBondContact CA-O 3.1Å; A291-L302 HydrophobicContact CB-CB 4.49Å; A291-L302 PolarHBondContact N-O 3Å; A291-L302 PolarHBondContact O-N 2.84Å; F300-L302 HydrophobicContact CD2-CD2 4.17Å; F300-L302 HydrophobicContact CD2-CG 4.33Å; F300-L302 HydrophobicContact CE2-CD1 4.49Å; F300-L302 HydrophobicContact CE2-CD2 4.04Å; F300-L302 HydrophobicContact CE2-CG 4.03Å; L302-I310 HydrophobicContact CB-CG2 3.79Å; L302-I310 HydrophobicContact CD2-CG2 3.91Å; L302-I310 HydrophobicContact CG-CG2 4.27Å; L302-F311 WeakPolarHBondContact CA-O 3.37Å; L302-K312 HydrophobicContact CD2-CB 4.25Å; L302-F330 HydrophobicContact CD2-CD1 4.34Å; L302-F330 HydrophobicContact CD2-CD2 4.44Å; L302-F330 HydrophobicContact CD2-CG 4.23Å; L302-M339 HydrophobicContact CB-CE 4.17Å; L302-M339 VanDerWaalsContact O-CE 3.27Å; L302-M339 WeakPolarHBondContact O-CE 3.29Å; L302-V341 HydrophobicContact CD1-CG2 3.83Å; L302-L347 HydrophobicContact CD1-CD1 4.31Å; L302-L347 HydrophobicContact CD1-CD2 4.33Å |
| 303 | A | 98 | Very high | 93.3 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 126.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | F287 I310 F311 V313 | F287-A303 HydrophobicContact CD1-CB 3.58Å; F287-A303 HydrophobicContact CE1-CB 3.65Å; F287-A303 HydrophobicContact CG-CB 4.14Å; F287-A303 HydrophobicContact CZ-CB 4.25Å; A303-I310 WeakPolarHBondContact O-CA 3.33Å; A303-F311 PolarHBondContact N-O 2.9Å; A303-F311 PolarHBondContact O-N 2.85Å; A303-V313 HydrophobicContact CB-CG2 4.19Å |
| 304 | Q | 98.3 | Very high | 93.4 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 132.3 | -176.4 | -167 | -171.8 | 29.7 | 0 | 0 | 111.4 | F287 V288 C289 G308 D309 I310 I333 P334 A336 M339 | F287-Q304 CarbonylContact C-O 3.59Å; F287-Q304 WeakPolarHBondContact CA-O 3.18Å; V288-Q304 HydrophobicContact CG2-CB 4.2Å; V288-Q304 HydrophobicContact CG2-CG 4.34Å; V288-Q304 WeakPolarHBondContact CG2-O 3.25Å; V288-Q304 PolarHBondContact N-O 3.05Å; C289-Q304 PolarHBondContact O-N 2.97Å; Q304-G308 PolarHBondContact NE2-O 3.49Å; Q304-D309 CarbonylContact C-O 3.56Å; Q304-D309 VanDerWaalsContact CA-O 3.3Å; Q304-D309 WeakPolarHBondContact CA-O 3.49Å; Q304-I310 HydrophobicContact CB-CG1 4.46Å; Q304-I310 HydrophobicContact CG-CG1 4.27Å; Q304-I333 PolarHBondContact NE2-O 2.89Å; Q304-P334 PolarHBondContact NE2-O 2.99Å; Q304-A336 VanDerWaalsContact OE1-CB 3.27Å; Q304-M339 HydrophobicContact CB-CE 3.9Å; Q304-M339 HydrophobicContact CB-SD 4.38Å |
| 305 | T | 97.8 | Very high | 93.7 | Very high | 3 Ų | 3 | 29.1 Ų | 29.1 | 2% | 0.018 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 171.5 | 174.9 | 69.8 | 0 | 0 | 0 | 0 | 112.8 | I271 M285 I286 F287 Q307 G308 D309 F311 | I271-T305 HydrophobicContact CG2-CG2 4.25Å; M285-T305 HydrophobicContact CG-CG2 4.34Å; I286-T305 WeakPolarHBondContact O-CA 3.34Å; F287-T305 HydrophobicContact CD1-CG2 4Å; F287-T305 HydrophobicContact CE1-CG2 3.8Å; T305-Q307 PolarHBondContact O-N 2.96Å; T305-Q307 PolarHBondContact OG1-N 2.79Å; T305-G308 PolarHBondContact O-N 3.3Å; T305-D309 HydrophobicContact CG2-CB 4.48Å; T305-D309 PolarHBondContact N-O 2.93Å; T305-D309 PolarHBondContact OG1-N 3.27Å; T305-F311 HydrophobicContact CG2-CD2 3.93Å; T305-F311 HydrophobicContact CG2-CE2 3.61Å |
| 306 | E | 95.6 | Very high | 94.1 | Very high | 47 Ų | 47 | 30.2 Ų | 30.2 | 22% | 0.22 | 15% | 0.153 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -15.8 | 175 | -57.1 | -169.4 | 148.6 | 0 | 0 | 115.2 | R283 M285 I286 V288 V335 | R283-E306 IonicContact CZ-OE2 3.67Å; R283-E306 IonicContact NH2-OE2 2.68Å; R283-E306 PolarHBondContact NH2-OE2 2.88Å; M285-E306 HydrophobicContact SD-CB 4.07Å; M285-E306 HydrophobicContact SD-CG 4.39Å; I286-E306 HydrophobicContact CD1-CG 4.4Å; I286-E306 VanDerWaalsContact CD1-OE1 3.31Å; I286-E306 WeakPolarHBondContact CD1-OE1 3.37Å; I286-E306 HydrophobicContact CG1-CG 3.56Å; I286-E306 WeakPolarHBondContact CG1-OE1 3.27Å; I286-E306 PolarHBondContact O-N 2.62Å; V288-E306 HydrophobicContact CG1-CB 4.34Å; V288-E306 HydrophobicContact CG1-CG 3.87Å; E306-V335 WeakPolarHBondContact O-CG2 3.48Å |
| 307 | Q | 95.2 | Very high | 94.7 | Very high | 18 Ų | 18 | 22.9 Ų | 22.9 | 8% | 0.084 | 13% | 0.126 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.6 | -3.1 | 174.7 | -71.3 | 178.4 | -14.9 | 0 | 0 | 112.3 | R274 D277 D279 M285 T305 | R274-Q307 PolarHBondContact NH2-O 3.22Å; D277-Q307 PolarHBondContact OD2-NE2 2.92Å; D279-Q307 PolarHBondContact OD2-NE2 2.93Å; M285-Q307 HydrophobicContact CE-CG 3.8Å; T305-Q307 PolarHBondContact O-N 2.96Å; T305-Q307 PolarHBondContact OG1-N 2.79Å |
| 308 | G | 96.5 | Very high | 95.1 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 12% | 0.117 | C | C | . | . | trans | 91.1 | 6.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | Q304 T305 I310 I333 | Q304-G308 PolarHBondContact NE2-O 3.49Å; T305-G308 PolarHBondContact O-N 3.3Å; G308-I310 PolarHBondContact O-N 3.16Å; G308-I333 CarbonylContact C-O 3.54Å; G308-I333 WeakPolarHBondContact CA-O 3.45Å; G308-I333 PolarHBondContact O-N 3.5Å | ||
| 309 | D | 97.6 | Very high | 94.8 | Very high | 2 Ų | 2 | 28 Ų | 28 | 1% | 0.011 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 123.9 | 179.8 | -57.5 | -44.6 | 0 | 0 | 0 | 110.5 | R274 Q304 T305 F311 Y329 T332 F387 | R274-D309 IonicContact CZ-OD1 2.9Å; R274-D309 IonicContact CZ-OD2 2.67Å; R274-D309 IonicContact NE-OD1 3.69Å; R274-D309 PolarHBondContact NE-OD1 2.94Å; R274-D309 IonicContact NE-OD2 3.56Å; R274-D309 PolarHBondContact NE-OD2 2.79Å; R274-D309 VanDerWaalsContact NH2-CG 3.27Å; R274-D309 IonicContact NH2-OD1 3.73Å; R274-D309 PolarHBondContact NH2-OD1 3.43Å; R274-D309 IonicContact NH2-OD2 3.02Å; R274-D309 PolarHBondContact NH2-OD2 2.79Å; R274-D309 VanDerWaalsContact NH2-OD2 3.14Å; Q304-D309 CarbonylContact C-O 3.56Å; Q304-D309 VanDerWaalsContact CA-O 3.3Å; Q304-D309 WeakPolarHBondContact CA-O 3.49Å; T305-D309 HydrophobicContact CG2-CB 4.48Å; T305-D309 PolarHBondContact N-O 2.93Å; T305-D309 PolarHBondContact OG1-N 3.27Å; D309-F311 HydrophobicContact CB-CE2 3.95Å; D309-Y329 HydrophobicContact CB-CE2 4.28Å; D309-T332 WeakPolarHBondContact OD1-CG2 3.28Å; D309-T332 PolarHBondContact OD1-OG1 2.83Å; D309-F387 HydrophobicContact CB-CZ 4.12Å |
| 310 | I | 98.1 | Very high | 94.2 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 127.6 | 173.7 | -59.6 | 168 | 0 | 0 | 0 | 108.7 | L302 A303 Q304 G308 F330 D331 I333 M339 L347 L395 | L302-I310 HydrophobicContact CB-CG2 3.79Å; L302-I310 HydrophobicContact CD2-CG2 3.91Å; L302-I310 HydrophobicContact CG-CG2 4.27Å; A303-I310 WeakPolarHBondContact O-CA 3.33Å; Q304-I310 HydrophobicContact CB-CG1 4.46Å; Q304-I310 HydrophobicContact CG-CG1 4.27Å; G308-I310 PolarHBondContact O-N 3.16Å; I310-F330 HydrophobicContact CB-CB 4.26Å; I310-F330 HydrophobicContact CB-CD1 4.48Å; I310-F330 HydrophobicContact CG2-CB 4Å; I310-F330 HydrophobicContact CG2-CD1 4.14Å; I310-F330 HydrophobicContact CG2-CG 4.4Å; I310-F330 VanDerWaalsContact O-CB 3.31Å; I310-F330 WeakPolarHBondContact O-CB 3.42Å; I310-F330 PolarHBondContact O-N 3.26Å; I310-D331 WeakPolarHBondContact CB-O 3.36Å; I310-D331 PolarHBondContact N-O 3.48Å; I310-I333 HydrophobicContact CD1-CD1 3.32Å; I310-I333 HydrophobicContact CD1-CG1 3.56Å; I310-I333 HydrophobicContact CD1-CG2 4.24Å; I310-I333 HydrophobicContact CG1-CD1 4.07Å; I310-I333 HydrophobicContact CG1-CG1 3.99Å; I310-M339 HydrophobicContact CD1-SD 4.2Å; I310-M339 HydrophobicContact CG1-SD 4.34Å; I310-L347 HydrophobicContact CD1-CD2 4.17Å; I310-L395 HydrophobicContact CD1-CD1 4.38Å |
| 311 | F | 97.5 | Very high | 93.9 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 132 | 167.6 | -69.2 | -88 | 0 | 0 | 0 | 110.1 | P272 F287 L302 A303 T305 D309 K328 F387 | P272-F311 HydrophobicContact CB-CE1 3.82Å; P272-F311 HydrophobicContact CB-CZ 3.97Å; P272-F311 HydrophobicContact CG-CD1 4.34Å; P272-F311 HydrophobicContact CG-CE1 3.69Å; P272-F311 HydrophobicContact CG-CZ 4.17Å; F287-F311 HydrophobicContact CE1-CD2 4.04Å; L302-F311 WeakPolarHBondContact CA-O 3.37Å; A303-F311 PolarHBondContact N-O 2.9Å; A303-F311 PolarHBondContact O-N 2.85Å; T305-F311 HydrophobicContact CG2-CD2 3.93Å; T305-F311 HydrophobicContact CG2-CE2 3.61Å; D309-F311 HydrophobicContact CB-CE2 3.95Å; F311-K328 CarbonylContact C-O 3.22Å; F311-K328 WeakPolarHBondContact CA-O 3.37Å; F311-F387 HydrophobicContact CE1-CD1 4.33Å; F311-F387 HydrophobicContact CE1-CE1 4.27Å; F311-F387 HydrophobicContact CE2-CE1 4.49Å; F311-F387 HydrophobicContact CZ-CD1 4.04Å; F311-F387 AromaticContact CZ-CE1 3.55Å; F311-F387 HydrophobicContact CZ-CE1 3.55Å; F311-F387 AromaticContact CZ-CZ 3.89Å; F311-F387 HydrophobicContact CZ-CZ 3.89Å |
| 312 | K | 96.9 | Very high | 93.7 | Very high | 4 Ų | 4 | 38.7 Ų | 38.7 | 2% | 0.017 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 116.9 | 163.2 | -176.5 | -177.9 | -179.1 | -178.3 | 0 | 107.7 | F300 F301 L302 T314 K328 F330 L364 D366 | F300-K312 HydrophobicContact CB-CG 4.39Å; F300-K312 HydrophobicContact CD2-CG 4.26Å; F301-K312 CarbonylContact O-C 3.56Å; F301-K312 WeakPolarHBondContact O-CA 3.32Å; L302-K312 HydrophobicContact CD2-CB 4.25Å; K312-T314 HydrophobicContact CG-CG2 4.46Å; K312-K328 PolarHBondContact N-O 3.33Å; K312-K328 PolarHBondContact O-N 3.24Å; K312-F330 HydrophobicContact CB-CB 4.42Å; K312-F330 HydrophobicContact CB-CD2 4.3Å; K312-L364 WeakPolarHBondContact CD-O 3.47Å; K312-L364 PolarHBondContact NZ-O 2.98Å; K312-D366 IonicContact NZ-OD1 3.65Å; K312-D366 PolarHBondContact NZ-OD1 2.63Å; K312-D366 IonicContact NZ-OD2 2.61Å; K312-D366 PolarHBondContact NZ-OD2 2.89Å |
| 313 | V | 96.8 | Very high | 93.5 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 125.8 | 176.7 | -169 | 0 | 0 | 0 | 0 | 108.7 | I256 F301 A303 I325 R326 L327 | I256-V313 HydrophobicContact CD1-CG1 4.27Å; I256-V313 HydrophobicContact CD1-CG2 4.47Å; F301-V313 HydrophobicContact CB-CB 4.17Å; F301-V313 HydrophobicContact CD2-CB 4.25Å; F301-V313 HydrophobicContact CD2-CG1 4.5Å; F301-V313 WeakPolarHBondContact CD2-O 3.48Å; F301-V313 PolarHBondContact N-O 3.45Å; F301-V313 PolarHBondContact O-N 3.49Å; A303-V313 HydrophobicContact CB-CG2 4.19Å; V313-I325 HydrophobicContact CG1-CG2 3.68Å; V313-R326 WeakPolarHBondContact CA-O 3.47Å; V313-L327 HydrophobicContact CG1-CD1 4.39Å; V313-L327 HydrophobicContact CG1-CG 4.49Å; V313-L327 HydrophobicContact CG2-CG 4.26Å |
| 314 | T | 95.3 | Very high | 93.3 | Very high | 21 Ų | 21 | 43.8 Ų | 43.8 | 13% | 0.129 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 148.7 | 175.7 | 44.8 | 0 | 0 | 0 | 0 | 109.5 | F300 K312 R326 | F300-T314 HydrophobicContact CB-CG2 4.02Å; K312-T314 HydrophobicContact CG-CG2 4.46Å; T314-R326 PolarHBondContact N-O 3.17Å; T314-R326 PolarHBondContact O-N 2.79Å |
| 315 | L | 94.7 | Very high | 93.2 | Very high | 16 Ų | 16 | 43.8 Ų | 43.8 | 8% | 0.084 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 123.1 | 176.7 | -59.1 | -178.5 | 0 | 0 | 0 | 107.8 | V238 L249 Y258 F299 F301 V322 I325 | V238-L315 HydrophobicContact CG1-CD1 3.75Å; V238-L315 HydrophobicContact CG2-CD1 4.12Å; L249-L315 HydrophobicContact CD2-CD2 4.18Å; Y258-L315 HydrophobicContact CD2-CD1 4.22Å; Y258-L315 HydrophobicContact CE2-CD1 4.27Å; F299-L315 HydrophobicContact CE2-CB 4.34Å; F299-L315 HydrophobicContact CE2-CD1 4.07Å; F299-L315 HydrophobicContact CE2-CG 4.32Å; F299-L315 HydrophobicContact CZ-CB 4.36Å; F299-L315 HydrophobicContact CZ-CD1 4.4Å; F301-L315 HydrophobicContact CE2-CD1 4.2Å; F301-L315 HydrophobicContact CE2-CG 4.27Å; L315-V322 HydrophobicContact CB-CG1 4.39Å; L315-I325 HydrophobicContact CD2-CB 4.22Å; L315-I325 HydrophobicContact CD2-CG1 3.86Å; L315-I325 HydrophobicContact CD2-CG2 3.96Å |
| 316 | E | 92.9 | Very high | 93.1 | Very high | 78 Ų | 78 | 47 Ų | 47 | 36% | 0.364 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 133 | 170.2 | -72 | -65.3 | 165.1 | 0 | 0 | 109.1 | V322 T323 E324 R326 | E316-V322 WeakPolarHBondContact O-CG1 3.24Å; E316-T323 PolarHBondContact O-N 3.09Å; E316-T323 PolarHBondContact O-OG1 3.3Å; E316-E324 HydrophobicContact CB-CG 3.85Å; E316-E324 HydrophobicContact CG-CG 4.23Å; E316-E324 PolarHBondContact N-O 3.14Å; E316-E324 VanDerWaalsContact N-O 3.13Å; E316-R326 HydrophobicContact CG-CG 4.43Å; E316-R326 IonicContact OE1-CZ 3.52Å; E316-R326 IonicContact OE1-NH1 2.78Å |
| 317 | T | 89.3 | Confident | 93.1 | Very high | 66 Ų | 66 | 44.8 Ų | 44.8 | 41% | 0.405 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 130.6 | -175.5 | 62.8 | 0 | 0 | 0 | 0 | 109.7 | P245 M321 V322 | P245-T317 HydrophobicContact CB-CG2 4.39Å; P245-T317 HydrophobicContact CG-CG2 4Å; T317-M321 WeakPolarHBondContact CA-O 3.4Å; T317-V322 HydrophobicContact CG2-CG2 4.12Å |
| 318 | D | 87.1 | Confident | 93.1 | Very high | 111 Ų | 111 | 44.5 Ų | 44.5 | 59% | 0.594 | 22% | 0.221 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 123.1 | 167.7 | -168.3 | 19.5 | 0 | 0 | 0 | 108.2 | E320 M321 T323 | D318-E320 PolarHBondContact O-N 3.28Å; D318-E320 VanDerWaalsContact O-N 3.14Å; D318-M321 PolarHBondContact N-O 2.83Å; D318-M321 PolarHBondContact O-N 2.94Å; D318-M321 VanDerWaalsContact O-O 3.06Å; D318-T323 HydrophobicContact CB-CG2 3.59Å |
| 319 | E | 80.6 | Confident | 93.1 | Very high | 184 Ų | 184 | 44.6 Ų | 44.6 | 86% | 0.86 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53.8 | -111.2 | -168.3 | -54.8 | -177.3 | 164.4 | 0 | 0 | 112.9 | ||
| 320 | E | 80.4 | Confident | 93 | Very high | 173 Ų | 173 | 44.7 Ų | 44.7 | 81% | 0.808 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -108.4 | -0.6 | 177.5 | -64.9 | -174 | 171.5 | 0 | 0 | 112.8 | D318 | D318-E320 PolarHBondContact O-N 3.28Å; D318-E320 VanDerWaalsContact O-N 3.14Å |
| 321 | M | 88.6 | Confident | 93 | Very high | 82 Ų | 82 | 44.7 Ų | 44.7 | 40% | 0.404 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 141.5 | -177.2 | -69.5 | -71.2 | -171.4 | 0 | 0 | 111.3 | D263 Q264 T317 D318 | D263-M321 HydrophobicContact CB-CE 3.83Å; Q264-M321 HydrophobicContact CB-SD 3.94Å; Q264-M321 PolarHBondContact OE1-SD 3.31Å; T317-M321 WeakPolarHBondContact CA-O 3.4Å; D318-M321 PolarHBondContact N-O 2.83Å; D318-M321 PolarHBondContact O-N 2.94Å; D318-M321 VanDerWaalsContact O-O 3.06Å |
| 322 | V | 93.6 | Very high | 93 | Very high | 6 Ų | 6 | 44.8 Ų | 44.8 | 4% | 0.036 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 134.1 | 172 | -177.9 | 0 | 0 | 0 | 0 | 108.6 | P245 Y258 Q264 I267 L315 E316 T317 | P245-V322 HydrophobicContact CB-CG2 3.79Å; P245-V322 HydrophobicContact CG-CG2 3.58Å; Y258-V322 HydrophobicContact CD1-CB 3.8Å; Y258-V322 HydrophobicContact CD1-CG1 3.98Å; Y258-V322 HydrophobicContact CD1-CG2 3.87Å; Y258-V322 HydrophobicContact CE1-CB 3.49Å; Y258-V322 VanDerWaalsContact CE1-CB 3.49Å; Y258-V322 HydrophobicContact CE1-CG1 4.13Å; Y258-V322 HydrophobicContact CE1-CG2 3.16Å; Y258-V322 HydrophobicContact CE2-CG2 4.36Å; Y258-V322 VanDerWaalsContact CZ-CG2 3.44Å; Y258-V322 WeakPolarHBondContact OH-CG2 3.38Å; Q264-V322 PolarHBondContact NE2-O 3.07Å; I267-V322 HydrophobicContact CD1-CB 4.02Å; I267-V322 HydrophobicContact CD1-CG1 3.81Å; I267-V322 WeakPolarHBondContact CD1-O 3.06Å; L315-V322 HydrophobicContact CB-CG1 4.39Å; E316-V322 WeakPolarHBondContact O-CG1 3.24Å; T317-V322 HydrophobicContact CG2-CG2 4.12Å |
| 323 | T | 92.3 | Very high | 93 | Very high | 77 Ų | 77 | 44.6 Ų | 44.6 | 47% | 0.472 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | -43.5 | -179.6 | 52.3 | 0 | 0 | 0 | 0 | 111.9 | E316 D318 | E316-T323 PolarHBondContact O-N 3.09Å; E316-T323 PolarHBondContact O-OG1 3.3Å; D318-T323 HydrophobicContact CB-CG2 3.59Å |
| 324 | E | 94.3 | Very high | 93 | Very high | 32 Ų | 32 | 45.2 Ų | 45.2 | 15% | 0.15 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153 | 153.6 | -179.1 | 57.9 | -177.7 | -168.4 | 0 | 0 | 112.6 | E316 R326 S374 S375 A376 | E316-E324 HydrophobicContact CB-CG 3.85Å; E316-E324 HydrophobicContact CG-CG 4.23Å; E316-E324 PolarHBondContact N-O 3.14Å; E316-E324 VanDerWaalsContact N-O 3.13Å; E324-R326 HydrophobicContact CG-CG 4.36Å; E324-R326 IonicContact OE1-CZ 3.64Å; E324-R326 IonicContact OE1-NE 3.33Å; E324-R326 PolarHBondContact OE1-NE 3.41Å; E324-R326 IonicContact OE1-NH2 2.76Å; E324-R326 PolarHBondContact OE1-NH2 2.82Å; E324-S374 PolarHBondContact OE2-OG 2.81Å; E324-S375 WeakPolarHBondContact CA-OG 3.23Å; E324-S375 WeakPolarHBondContact CB-OG 3.35Å; E324-A376 HydrophobicContact CB-CB 4.36Å; E324-A376 VanDerWaalsContact OE2-CB 3.29Å; E324-A376 WeakPolarHBondContact OE2-CB 3.32Å |
| 325 | I | 96.2 | Very high | 93.1 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 127.7 | 169.7 | -52 | 171.3 | 0 | 0 | 0 | 107.1 | L249 I256 I267 C269 V313 L315 L327 S374 S375 | L249-I325 HydrophobicContact CD2-CD1 4.29Å; I256-I325 HydrophobicContact CG2-CG2 4.49Å; I267-I325 HydrophobicContact CB-CD1 4.36Å; I267-I325 HydrophobicContact CB-CG1 4.4Å; I267-I325 HydrophobicContact CG2-CD1 4Å; I267-I325 HydrophobicContact CG2-CG1 3.76Å; I267-I325 WeakPolarHBondContact O-CD1 3.45Å; C269-I325 HydrophobicContact CB-CB 4.35Å; V313-I325 HydrophobicContact CG1-CG2 3.68Å; L315-I325 HydrophobicContact CD2-CB 4.22Å; L315-I325 HydrophobicContact CD2-CG1 3.86Å; L315-I325 HydrophobicContact CD2-CG2 3.96Å; I325-L327 HydrophobicContact CB-CD1 4.42Å; I325-L327 HydrophobicContact CG2-CD1 3.57Å; I325-S374 WeakPolarHBondContact O-CA 3.42Å; I325-S375 PolarHBondContact N-OG 3.48Å; I325-S375 PolarHBondContact O-N 2.89Å |
| 326 | R | 95.3 | Very high | 93.2 | Very high | 70 Ų | 70 | 45 Ų | 45 | 26% | 0.264 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 131 | 175 | -59.3 | -165.2 | -177.5 | 165.5 | 3 | 111.5 | V313 T314 E316 E324 E372 F373 | V313-R326 WeakPolarHBondContact CA-O 3.47Å; T314-R326 PolarHBondContact N-O 3.17Å; T314-R326 PolarHBondContact O-N 2.79Å; E316-R326 HydrophobicContact CG-CG 4.43Å; E316-R326 IonicContact OE1-CZ 3.52Å; E316-R326 IonicContact OE1-NH1 2.78Å; E324-R326 HydrophobicContact CG-CG 4.36Å; E324-R326 IonicContact OE1-CZ 3.64Å; E324-R326 IonicContact OE1-NE 3.33Å; E324-R326 PolarHBondContact OE1-NE 3.41Å; E324-R326 IonicContact OE1-NH2 2.76Å; E324-R326 PolarHBondContact OE1-NH2 2.82Å; R326-E372 HydrophobicContact CB-CG 4.31Å; R326-E372 WeakPolarHBondContact CB-OE1 3.35Å; R326-E372 WeakPolarHBondContact CD-OE1 3.36Å; R326-E372 IonicContact NH1-OE1 2.92Å; R326-F373 CarbonylContact C-O 3.55Å; R326-F373 VanDerWaalsContact CA-O 3.26Å; R326-F373 WeakPolarHBondContact CA-O 3.15Å |
| 327 | L | 95.1 | Very high | 93.4 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 129.8 | 179.2 | -74.6 | 74.7 | 0 | 0 | 0 | 108.7 | I256 C269 V313 I325 F373 | I256-L327 HydrophobicContact CG2-CD1 4.04Å; I256-L327 HydrophobicContact CG2-CD2 4.05Å; C269-L327 HydrophobicContact CB-CD1 3.88Å; V313-L327 HydrophobicContact CG1-CD1 4.39Å; V313-L327 HydrophobicContact CG1-CG 4.49Å; V313-L327 HydrophobicContact CG2-CG 4.26Å; I325-L327 HydrophobicContact CB-CD1 4.42Å; I325-L327 HydrophobicContact CG2-CD1 3.57Å; L327-F373 PolarHBondContact N-O 2.87Å; L327-F373 WeakPolarHBondContact O-CD2 3.44Å; L327-F373 PolarHBondContact O-N 3.12Å |
| 328 | K | 95.8 | Very high | 93.8 | Very high | 12 Ų | 12 | 41.3 Ų | 41.3 | 5% | 0.052 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 135.9 | 175.1 | -167.7 | 171.8 | -179.1 | -174.3 | 0 | 110.5 | F311 K312 F330 G365 D366 D368 E370 E372 | F311-K328 CarbonylContact C-O 3.22Å; F311-K328 WeakPolarHBondContact CA-O 3.37Å; K312-K328 PolarHBondContact N-O 3.33Å; K312-K328 PolarHBondContact O-N 3.24Å; K328-F330 PolarHBondContact O-N 3.01Å; K328-G365 WeakPolarHBondContact CD-O 3.41Å; K328-G365 VanDerWaalsContact CE-O 3.24Å; K328-G365 WeakPolarHBondContact CE-O 3.34Å; K328-G365 PolarHBondContact NZ-O 2.8Å; K328-D366 PolarHBondContact NZ-O 3.12Å; K328-D368 WeakPolarHBondContact CE-OD1 2.9Å; K328-D368 IonicContact NZ-OD1 2.78Å; K328-D368 PolarHBondContact NZ-OD1 3Å; K328-E370 WeakPolarHBondContact CE-O 3.46Å; K328-E372 HydrophobicContact CB-CG 4.4Å; K328-E372 HydrophobicContact CD-CB 4.31Å |
| 329 | Y | 96.8 | Very high | 94.3 | Very high | 3 Ų | 3 | 36.5 Ų | 36.5 | 1% | 0.012 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 121.4 | 179 | 168.8 | -120.6 | 0 | 0 | 0 | 110.8 | D309 T332 F387 R390 | D309-Y329 HydrophobicContact CB-CE2 4.28Å; Y329-T332 WeakPolarHBondContact CE2-OG1 3.4Å; Y329-T332 PolarHBondContact OH-N 3.06Å; Y329-T332 PolarHBondContact OH-OG1 3.35Å; Y329-F387 AromaticContact CD1-CD2 3.57Å; Y329-F387 HydrophobicContact CD1-CD2 3.57Å; Y329-F387 AromaticContact CD1-CE2 3.99Å; Y329-F387 HydrophobicContact CD1-CE2 3.99Å; Y329-F387 AromaticContact CD2-CD2 3.82Å; Y329-F387 HydrophobicContact CD2-CD2 3.82Å; Y329-F387 AromaticContact CD2-CE2 3.48Å; Y329-F387 HydrophobicContact CD2-CE2 3.48Å; Y329-F387 VanDerWaalsContact CD2-CE2 3.48Å; Y329-F387 HydrophobicContact CD2-CZ 4.24Å; Y329-F387 HydrophobicContact CE1-CD2 4.02Å; Y329-F387 HydrophobicContact CE1-CE2 4.13Å; Y329-F387 HydrophobicContact CE2-CD2 4.24Å; Y329-F387 AromaticContact CE2-CE2 3.64Å; Y329-F387 HydrophobicContact CE2-CE2 3.64Å; Y329-F387 HydrophobicContact CE2-CZ 4.49Å; Y329-F387 AromaticContact CG-CD2 3.47Å; Y329-F387 HydrophobicContact CG-CD2 3.47Å; Y329-F387 VanDerWaalsContact CG-CD2 3.47Å; Y329-F387 AromaticContact CG-CE2 3.68Å; Y329-F387 HydrophobicContact CG-CE2 3.68Å; Y329-F387 HydrophobicContact CG-CG 4.31Å; Y329-F387 AromaticContact CZ-CE2 3.98Å; Y329-R390 HydrophobicContact CE1-CG 3.97Å; Y329-R390 VanDerWaalsContact CE1-NH1 3.33Å; Y329-R390 PolarHBondContact O-NH2 3.42Å; Y329-R390 PolarHBondContact OH-N 2.89Å; Y329-R390 PolarHBondContact OH-O 3.32Å |
| 330 | F | 96 | Very high | 95.1 | Very high | 4 Ų | 4 | 27.8 Ų | 27.8 | 2% | 0.018 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | -61.6 | -171.2 | -172 | -101.6 | 0 | 0 | 0 | 112.4 | L302 I310 K312 K328 I361 R390 N394 L395 | L302-F330 HydrophobicContact CD2-CD1 4.34Å; L302-F330 HydrophobicContact CD2-CD2 4.44Å; L302-F330 HydrophobicContact CD2-CG 4.23Å; I310-F330 HydrophobicContact CB-CB 4.26Å; I310-F330 HydrophobicContact CB-CD1 4.48Å; I310-F330 HydrophobicContact CG2-CB 4Å; I310-F330 HydrophobicContact CG2-CD1 4.14Å; I310-F330 HydrophobicContact CG2-CG 4.4Å; I310-F330 VanDerWaalsContact O-CB 3.31Å; I310-F330 WeakPolarHBondContact O-CB 3.42Å; I310-F330 PolarHBondContact O-N 3.26Å; K312-F330 HydrophobicContact CB-CB 4.42Å; K312-F330 HydrophobicContact CB-CD2 4.3Å; K328-F330 PolarHBondContact O-N 3.01Å; F330-I361 HydrophobicContact CZ-CG2 4.47Å; F330-R390 PolarHBondContact O-NH2 3.18Å; F330-N394 HydrophobicContact CD1-CB 4.41Å; F330-N394 HydrophobicContact CD2-CB 4.29Å; F330-N394 HydrophobicContact CE1-CB 3.91Å; F330-N394 HydrophobicContact CE2-CB 3.77Å; F330-N394 HydrophobicContact CZ-CB 3.56Å; F330-N394 PolarHBondContact O-ND2 2.69Å; F330-L395 HydrophobicContact CE1-CD1 4.14Å; F330-L395 HydrophobicContact CE1-CD2 3.85Å; F330-L395 HydrophobicContact CE1-CG 3.81Å; F330-L395 HydrophobicContact CZ-CD2 4.4Å |
| 331 | D | 96.9 | Very high | 95.9 | Very high | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -169.5 | 167.6 | 175.2 | -94.2 | -27.2 | 0 | 0 | 0 | 108.5 | I310 L392 K393 N394 L395 | I310-D331 WeakPolarHBondContact CB-O 3.36Å; I310-D331 PolarHBondContact N-O 3.48Å; D331-L392 HydrophobicContact CB-CD2 3.98Å; D331-K393 PolarHBondContact OD1-N 2.8Å; D331-K393 VanDerWaalsContact OD1-N 3.09Å; D331-K393 PolarHBondContact OD2-N 2.95Å; D331-N394 WeakPolarHBondContact OD2-CA 3.37Å; D331-N394 WeakPolarHBondContact OD2-CB 3.5Å; D331-N394 PolarHBondContact OD2-N 2.96Å; D331-L395 HydrophobicContact CB-CD1 4.17Å; D331-L395 HydrophobicContact CB-CG 4.48Å; D331-L395 PolarHBondContact OD2-N 2.84Å |
| 332 | T | 97.3 | Very high | 96.1 | Very high | 1 Ų | 1 | 15.9 Ų | 15.9 | 1% | 0.006 | 9% | 0.087 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 129.4 | 174.9 | -55.8 | 0 | 0 | 0 | 0 | 110.8 | D309 Y329 L392 F852 | D309-T332 WeakPolarHBondContact OD1-CG2 3.28Å; D309-T332 PolarHBondContact OD1-OG1 2.83Å; Y329-T332 WeakPolarHBondContact CE2-OG1 3.4Å; Y329-T332 PolarHBondContact OH-N 3.06Å; Y329-T332 PolarHBondContact OH-OG1 3.35Å; T332-L392 WeakPolarHBondContact O-CD2 3.24Å; T332-F852 HydrophobicContact CG2-CD1 3.85Å; T332-F852 HydrophobicContact CG2-CE1 4.45Å |
| 333 | I | 96.9 | Very high | 95.9 | Very high | 1 Ų | 1 | 22.3 Ų | 22.3 | 1% | 0.005 | 11% | 0.114 | C | C | . | . | trans | -135.1 | 166.6 | 178.4 | 61.9 | 169.1 | 0 | 0 | 0 | 109.8 | Q304 G308 I310 M339 V349 Y359 L392 L395 | Q304-I333 PolarHBondContact NE2-O 2.89Å; G308-I333 CarbonylContact C-O 3.54Å; G308-I333 WeakPolarHBondContact CA-O 3.45Å; G308-I333 PolarHBondContact O-N 3.5Å; I310-I333 HydrophobicContact CD1-CD1 3.32Å; I310-I333 HydrophobicContact CD1-CG1 3.56Å; I310-I333 HydrophobicContact CD1-CG2 4.24Å; I310-I333 HydrophobicContact CG1-CD1 4.07Å; I310-I333 HydrophobicContact CG1-CG1 3.99Å; I333-M339 HydrophobicContact CD1-SD 4.25Å; I333-V349 HydrophobicContact CD1-CB 4.15Å; I333-V349 HydrophobicContact CD1-CG1 3.59Å; I333-V349 HydrophobicContact CD1-CG2 3.45Å; I333-V349 VanDerWaalsContact CD1-CG2 3.45Å; I333-Y359 HydrophobicContact CB-CE2 4.41Å; I333-Y359 HydrophobicContact CG2-CE1 4.47Å; I333-Y359 HydrophobicContact CG2-CE2 3.9Å; I333-L392 HydrophobicContact CG2-CD2 4.16Å; I333-L395 HydrophobicContact CG2-CD1 4.03Å | ||
| 334 | P | 96.6 | Very high | 95.6 | Very high | 12 Ų | 12 | 22.6 Ų | 22.6 | 8% | 0.078 | 12% | 0.116 | C | C | . | . | trans | -58.5 | 144.8 | 174.6 | -27.1 | 38.5 | 0 | 0 | 0 | 113.2 | Q304 A336 Y357 R432 | Q304-P334 PolarHBondContact NE2-O 2.99Å; P334-A336 PolarHBondContact O-N 3.17Å; P334-Y357 HydrophobicContact CB-CE2 4.1Å; P334-Y357 HydrophobicContact CG-CD2 4.24Å; P334-Y357 HydrophobicContact CG-CE2 3.61Å; P334-R432 VanDerWaalsContact CB-CZ 3.49Å | ||
| 335 | V | 97.7 | Very high | 95.5 | Very high | 30 Ų | 30 | 22.3 Ų | 22.3 | 18% | 0.182 | 12% | 0.122 | C | C | . | . | trans | -54.4 | 127 | -178.8 | -175.5 | 0 | 0 | 0 | 0 | 110.9 | V288 E306 S351 E352 | V288-V335 HydrophobicContact CG1-CG1 4.44Å; V288-V335 HydrophobicContact CG2-CG1 4.04Å; E306-V335 WeakPolarHBondContact O-CG2 3.48Å; V335-S351 VanDerWaalsContact O-CA 3.32Å; V335-S351 WeakPolarHBondContact O-CA 3.46Å; V335-E352 HydrophobicContact CB-CG 4.31Å; V335-E352 HydrophobicContact CG1-CG 4.23Å; V335-E352 PolarHBondContact O-N 2.81Å | ||
| 336 | A | 97.5 | Very high | 95.5 | Very high | 2 Ų | 2 | 22.7 Ų | 22.7 | 2% | 0.017 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 145.4 | -174.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | C289 Q304 P334 M339 V349 A350 | C289-A336 PolarHBondContact SG-O 3.38Å; Q304-A336 VanDerWaalsContact OE1-CB 3.27Å; P334-A336 PolarHBondContact O-N 3.17Å; A336-M339 HydrophobicContact CB-CG 4.24Å; A336-V349 HydrophobicContact CB-CG1 3.61Å; A336-A350 CarbonylContact C-O 3.57Å; A336-A350 VanDerWaalsContact CA-O 3.29Å; A336-A350 WeakPolarHBondContact CA-O 3.37Å; A336-A350 WeakPolarHBondContact CB-O 3.49Å |
| 337 | T | 96.7 | Very high | 95.6 | Very high | 54 Ų | 54 | 19.4 Ų | 19.4 | 33% | 0.331 | 11% | 0.111 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | -35.3 | 168.3 | 48 | 0 | 0 | 0 | 0 | 111.2 | I14 A350 E352 | I14-T337 PolarHBondContact O-OG1 3.49Å; I14-T337 VanDerWaalsContact O-OG1 3.05Å; T337-A350 PolarHBondContact N-O 3.48Å; T337-A350 PolarHBondContact OG1-O 3.12Å; T337-A350 VanDerWaalsContact OG1-O 3.07Å; T337-E352 HydrophobicContact CG2-CB 3.75Å |
| 338 | A | 97.3 | Very high | 95.7 | Very high | 14 Ų | 14 | 19.4 Ų | 19.4 | 12% | 0.116 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.2 | 147.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | A17 A350 | A17-A338 HydrophobicContact CB-CB 3.89Å; A338-A350 PolarHBondContact O-N 3.44Å |
| 339 | M | 98.1 | Very high | 95.8 | Very high | 10 Ų | 10 | 18.8 Ų | 18.8 | 5% | 0.049 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 140.9 | 174.2 | -70.8 | -169.8 | -61.5 | 0 | 0 | 109.9 | A291 L302 Q304 I310 I333 A336 L347 F348 | A291-M339 HydrophobicContact CB-CB 3.81Å; L302-M339 HydrophobicContact CB-CE 4.17Å; L302-M339 VanDerWaalsContact O-CE 3.27Å; L302-M339 WeakPolarHBondContact O-CE 3.29Å; Q304-M339 HydrophobicContact CB-CE 3.9Å; Q304-M339 HydrophobicContact CB-SD 4.38Å; I310-M339 HydrophobicContact CD1-SD 4.2Å; I310-M339 HydrophobicContact CG1-SD 4.34Å; I333-M339 HydrophobicContact CD1-SD 4.25Å; A336-M339 HydrophobicContact CB-CG 4.24Å; M339-L347 HydrophobicContact CB-CD1 4.2Å; M339-F348 WeakPolarHBondContact CA-O 2.99Å |
| 340 | C | 97.4 | Very high | 95.9 | Very high | 1 Ų | 1 | 18.7 Ų | 18.7 | 1% | 0.007 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 113.7 | 177.9 | -71.7 | 0 | 0 | 0 | 0 | 109.9 | H19 F348 | H19-C340 HydrophobicContact CB-CB 4.05Å; C340-F348 HydrophobicContact CB-CB 4.26Å; C340-F348 PolarHBondContact N-O 3.31Å; C340-F348 PolarHBondContact O-N 3.45Å |
| 341 | V | 96.6 | Very high | 95.9 | Very high | 2 Ų | 2 | 18.5 Ų | 18.5 | 1% | 0.012 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 117.1 | 175.2 | -171.9 | 0 | 0 | 0 | 0 | 109.1 | H19 A291 H293 L302 L347 I361 | H19-V341 PolarHBondContact CE1-O 2.98Å; A291-V341 HydrophobicContact CB-CG2 3.76Å; H293-V341 HydrophobicContact CB-CB 4.16Å; H293-V341 HydrophobicContact CB-CG1 4.02Å; H293-V341 WeakPolarHBondContact CD2-CG1 3.47Å; L302-V341 HydrophobicContact CD1-CG2 3.83Å; V341-L347 HydrophobicContact CG2-CD1 3.85Å; V341-I361 HydrophobicContact CG1-CD1 3.91Å |
| 342 | L | 94.4 | Very high | 95.9 | Very high | 2 Ų | 2 | 22.4 Ų | 22.4 | 1% | 0.01 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 147 | -177.7 | -59.5 | 116.8 | 0 | 0 | 0 | 111.2 | Q28 I30 P43 T344 G345 F346 F348 L358 | Q28-L342 HydrophobicContact CB-CD2 4.02Å; I30-L342 HydrophobicContact CD1-CD1 4.28Å; I30-L342 HydrophobicContact CD1-CD2 4.35Å; I30-L342 HydrophobicContact CG1-CD2 4.22Å; P43-L342 HydrophobicContact CG-CD1 4.47Å; P43-L342 HydrophobicContact CG-CD2 3.71Å; L342-T344 PolarHBondContact O-N 2.6Å; L342-T344 VanDerWaalsContact O-N 3.12Å; L342-G345 PolarHBondContact O-N 3.11Å; L342-F346 HydrophobicContact CB-CB 4.25Å; L342-F346 HydrophobicContact CD1-CB 3.72Å; L342-F346 PolarHBondContact N-O 2.89Å; L342-F348 HydrophobicContact CD1-CB 4.26Å; L342-L358 HydrophobicContact CD1-CD1 4.38Å |
| 343 | K | 89 | Confident | 95.8 | Very high | 141 Ų | 141 | 25.4 Ų | 25.4 | 61% | 0.613 | 14% | 0.138 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -20.5 | -178.3 | -71.2 | 177.3 | -179.3 | 174.9 | 0 | 114.1 | G345 | K343-G345 PolarHBondContact O-N 3.04Š|
| 344 | T | 86 | Confident | 95.7 | Very high | 84 Ų | 84 | 25.6 Ų | 25.6 | 52% | 0.515 | 14% | 0.14 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.3 | 5.6 | 177.3 | 44 | 0 | 0 | 0 | 0 | 113 | A45 L342 F346 | A45-T344 HydrophobicContact CB-CG2 4.3Å; L342-T344 PolarHBondContact O-N 2.6Å; L342-T344 VanDerWaalsContact O-N 3.12Å; T344-F346 WeakPolarHBondContact OG1-CD2 3.27Å |
| 345 | G | 91.2 | Very high | 95.7 | Very high | 26 Ų | 26 | 25.9 Ų | 25.9 | 27% | 0.268 | 14% | 0.141 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 82.9 | 34.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | L342 K343 I361 | L342-G345 PolarHBondContact O-N 3.11Å; K343-G345 PolarHBondContact O-N 3.04Å; G345-I361 PolarHBondContact O-N 3.39Å |
| 346 | F | 95.9 | Very high | 95.6 | Very high | 8 Ų | 8 | 24.5 Ų | 24.5 | 4% | 0.035 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 149.5 | 175.9 | -71.8 | -91.2 | 0 | 0 | 0 | 111 | A45 L342 T344 L358 Y359 Q360 V398 | A45-F346 HydrophobicContact CB-CE2 4.13Å; L342-F346 HydrophobicContact CB-CB 4.25Å; L342-F346 HydrophobicContact CD1-CB 3.72Å; L342-F346 PolarHBondContact N-O 2.89Å; T344-F346 WeakPolarHBondContact OG1-CD2 3.27Å; F346-L358 HydrophobicContact CB-CD1 4.14Å; F346-L358 HydrophobicContact CD1-CD1 4.31Å; F346-L358 HydrophobicContact CD1-CD2 3.86Å; F346-L358 HydrophobicContact CD1-CG 3.97Å; F346-L358 HydrophobicContact CE1-CD2 4.2Å; F346-Y359 CarbonylContact C-O 3Å; F346-Y359 VanDerWaalsContact CA-O 3.27Å; F346-Y359 WeakPolarHBondContact CA-O 3.39Å; F346-Y359 WeakPolarHBondContact CD1-O 3.41Å; F346-Q360 HydrophobicContact CD1-CB 4.2Å; F346-Q360 HydrophobicContact CE1-CB 4.07Å; F346-Q360 HydrophobicContact CE1-CG 4.44Å; F346-V398 HydrophobicContact CE1-CG1 4.39Å; F346-V398 HydrophobicContact CE1-CG2 4.22Å |
| 347 | L | 97.7 | Very high | 95.6 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 113 | 171.9 | 173.4 | 64.9 | 0 | 0 | 0 | 108.5 | L302 I310 M339 V341 V349 Y359 I361 L395 | L302-L347 HydrophobicContact CD1-CD1 4.31Å; L302-L347 HydrophobicContact CD1-CD2 4.33Å; I310-L347 HydrophobicContact CD1-CD2 4.17Å; M339-L347 HydrophobicContact CB-CD1 4.2Å; V341-L347 HydrophobicContact CG2-CD1 3.85Å; L347-V349 HydrophobicContact CD2-CG2 4.14Å; L347-V349 HydrophobicContact CG-CG2 3.88Å; L347-Y359 PolarHBondContact N-O 3.5Å; L347-Y359 PolarHBondContact O-N 3.33Å; L347-I361 HydrophobicContact CB-CD1 4.39Å; L347-I361 HydrophobicContact CB-CG1 4.31Å; L347-L395 HydrophobicContact CB-CD2 4.36Å; L347-L395 HydrophobicContact CD2-CD1 3.8Å; L347-L395 HydrophobicContact CD2-CD2 4.07Å |
| 348 | F | 98.2 | Very high | 95.7 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 131.3 | 171.3 | 178.6 | -102.3 | 0 | 0 | 0 | 110.2 | I14 A17 I30 V32 L41 M339 C340 L342 A350 L358 | I14-F348 HydrophobicContact CD1-CE1 4.37Å; I14-F348 HydrophobicContact CD1-CZ 4.04Å; A17-F348 HydrophobicContact CB-CE1 4.34Å; I30-F348 HydrophobicContact CD1-CB 3.57Å; I30-F348 HydrophobicContact CD1-CD1 3.85Å; I30-F348 HydrophobicContact CD1-CD2 4.06Å; I30-F348 HydrophobicContact CD1-CG 3.55Å; I30-F348 HydrophobicContact CG2-CD1 4.15Å; I30-F348 HydrophobicContact CG2-CE1 4.27Å; V32-F348 HydrophobicContact CG1-CE1 4.23Å; L41-F348 HydrophobicContact CD1-CZ 4.11Å; M339-F348 WeakPolarHBondContact CA-O 2.99Å; C340-F348 HydrophobicContact CB-CB 4.26Å; C340-F348 PolarHBondContact N-O 3.31Å; C340-F348 PolarHBondContact O-N 3.45Å; L342-F348 HydrophobicContact CD1-CB 4.26Å; F348-A350 HydrophobicContact CE1-CB 4.1Å; F348-L358 HydrophobicContact CB-CD1 3.91Å; F348-L358 HydrophobicContact CD2-CD1 4.19Å |
| 349 | V | 98.2 | Very high | 95.7 | Very high | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 107.3 | -174 | 179.6 | 0 | 0 | 0 | 0 | 109 | I333 A336 L347 S351 H356 Y357 Y359 | I333-V349 HydrophobicContact CD1-CB 4.15Å; I333-V349 HydrophobicContact CD1-CG1 3.59Å; I333-V349 HydrophobicContact CD1-CG2 3.45Å; I333-V349 VanDerWaalsContact CD1-CG2 3.45Å; A336-V349 HydrophobicContact CB-CG1 3.61Å; L347-V349 HydrophobicContact CD2-CG2 4.14Å; L347-V349 HydrophobicContact CG-CG2 3.88Å; V349-S351 PolarHBondContact O-N 3.02Å; V349-H356 WeakPolarHBondContact O-CB 3.29Å; V349-Y357 PolarHBondContact N-O 3.48Å; V349-Y357 PolarHBondContact O-N 3.5Å; V349-Y359 HydrophobicContact CB-CE2 4.25Å; V349-Y359 HydrophobicContact CG2-CD2 3.76Å; V349-Y359 HydrophobicContact CG2-CE2 3.76Å |
| 350 | A | 97.9 | Very high | 95.6 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 90.2 | 172.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | I14 A17 A336 T337 A338 F348 | I14-A350 HydrophobicContact CB-CB 3.99Å; I14-A350 HydrophobicContact CD1-CB 4.18Å; I14-A350 HydrophobicContact CG2-CB 3.7Å; A17-A350 HydrophobicContact CB-CB 4.38Å; A336-A350 CarbonylContact C-O 3.57Å; A336-A350 VanDerWaalsContact CA-O 3.29Å; A336-A350 WeakPolarHBondContact CA-O 3.37Å; A336-A350 WeakPolarHBondContact CB-O 3.49Å; T337-A350 PolarHBondContact N-O 3.48Å; T337-A350 PolarHBondContact OG1-O 3.12Å; T337-A350 VanDerWaalsContact OG1-O 3.07Å; A338-A350 PolarHBondContact O-N 3.44Å; F348-A350 HydrophobicContact CE1-CB 4.1Å |
| 351 | S | 97.4 | Very high | 95.5 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -56.3 | 141.8 | 174.7 | -61.2 | 0 | 0 | 0 | 0 | 112.7 | V335 V349 F353 N355 H356 | V335-S351 VanDerWaalsContact O-CA 3.32Å; V335-S351 WeakPolarHBondContact O-CA 3.46Å; V349-S351 PolarHBondContact O-N 3.02Å; S351-F353 WeakPolarHBondContact CB-O 3.46Å; S351-F353 PolarHBondContact O-N 2.98Å; S351-N355 VanDerWaalsContact CB-O 3.32Å; S351-N355 WeakPolarHBondContact CB-O 3.26Å; S351-N355 PolarHBondContact OG-O 3.39Å; S351-H356 PolarHBondContact N-ND1 3.41Å; S351-H356 VanDerWaalsContact N-ND1 3.19Å; S351-H356 PolarHBondContact O-CE1 2.85Å; S351-H356 VanDerWaalsContact O-CE1 3.28Å; S351-H356 PolarHBondContact O-ND1 2.89Å |
| 352 | E | 95.5 | Very high | 95.4 | Very high | 82 Ų | 82 | 30.4 Ų | 30.4 | 38% | 0.383 | 16% | 0.162 | S | C | . | . | S | Bend | trans | -59.8 | -37.4 | 177.1 | 55.6 | 166 | -155.1 | 0 | 0 | 112.6 | V335 T337 | V335-E352 HydrophobicContact CB-CG 4.31Å; V335-E352 HydrophobicContact CG1-CG 4.23Å; V335-E352 PolarHBondContact O-N 2.81Å; T337-E352 HydrophobicContact CG2-CB 3.75Å |
| 353 | F | 96.4 | Very high | 95.2 | Very high | 65 Ų | 65 | 36 Ų | 36 | 29% | 0.285 | 19% | 0.188 | S | C | . | . | S | Bend | trans | -145 | 152.5 | -179.1 | -66.5 | -62.6 | 0 | 0 | 0 | 109 | S351 P406 R429 R432 | S351-F353 WeakPolarHBondContact CB-O 3.46Å; S351-F353 PolarHBondContact O-N 2.98Å; F353-P406 HydrophobicContact CD1-CB 4.07Å; F353-P406 VanDerWaalsContact CD1-CD 3.46Å; F353-P406 HydrophobicContact CD1-CG 3.74Å; F353-P406 HydrophobicContact CE1-CB 4.19Å; F353-P406 HydrophobicContact CE1-CG 4.18Å; F353-P406 HydrophobicContact CG-CG 4.32Å; F353-R429 HydrophobicContact CB-CB 3.93Å; F353-R429 HydrophobicContact CD2-CB 4.37Å; F353-R429 HydrophobicContact CD2-CG 4.31Å; F353-R429 HydrophobicContact CG-CB 4.31Å; F353-R432 PolarHBondContact O-NH1 3.18Å |
| 354 | G | 93.5 | Very high | 95.1 | Very high | 4 Ų | 4 | 33.4 Ų | 33.4 | 4% | 0.041 | 18% | 0.18 | C | C | . | . | S | Bend | trans | 70.5 | -175.7 | -174.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | N403 S405 | G354-N403 VanDerWaalsContact O-CB 3.28Å; G354-N403 WeakPolarHBondContact O-CB 3.32Å; G354-N403 PolarHBondContact O-ND2 3.37Å; G354-S405 PolarHBondContact N-O 3.02Å |
| 355 | N | 96.4 | Very high | 94.9 | Very high | 19 Ų | 19 | 29.7 Ų | 29.7 | 10% | 0.102 | 16% | 0.158 | C | C | . | . | trans | -55 | 151.2 | -174.4 | -62.6 | -14.5 | 0 | 0 | 0 | 112.5 | S351 Y357 E400 Q401 E402 N403 R432 R436 | S351-N355 VanDerWaalsContact CB-O 3.32Å; S351-N355 WeakPolarHBondContact CB-O 3.26Å; S351-N355 PolarHBondContact OG-O 3.39Å; N355-Y357 HydrophobicContact CB-CE1 4.47Å; N355-Y357 WeakPolarHBondContact O-CE2 3.46Å; N355-E400 HydrophobicContact CB-CG 3.79Å; N355-E400 VanDerWaalsContact CB-OE1 3.28Å; N355-E400 WeakPolarHBondContact CB-OE1 3.38Å; N355-E400 PolarHBondContact ND2-OE1 3.06Å; N355-Q401 CarbonylContact C-O 3.51Å; N355-Q401 VanDerWaalsContact CA-O 3.31Å; N355-Q401 WeakPolarHBondContact CA-O 3.34Å; N355-Q401 WeakPolarHBondContact CB-O 3.47Å; N355-E402 WeakPolarHBondContact OD1-CA 3.39Å; N355-N403 PolarHBondContact OD1-N 3.08Å; N355-N403 PolarHBondContact OD1-O 3.14Å; N355-R432 PolarHBondContact O-NH2 3.35Å; N355-R432 VanDerWaalsContact O-NH2 3.07Å; N355-R436 PolarHBondContact OD1-NH1 2.96Å; N355-R436 PolarHBondContact OD1-NH2 3.25Å | ||
| 356 | H | 97.3 | Very high | 94.2 | Very high | 1 Ų | 1 | 31.9 Ų | 31.9 | 1% | 0.005 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 158 | 173.1 | -48.7 | -61.8 | 0 | 0 | 0 | 109.8 | T12 I14 V349 S351 Q401 N403 | T12-H356 PolarHBondContact O-NE2 2.78Å; I14-H356 WeakPolarHBondContact CG1-NE2 3.5Å; V349-H356 WeakPolarHBondContact O-CB 3.29Å; S351-H356 PolarHBondContact N-ND1 3.41Å; S351-H356 VanDerWaalsContact N-ND1 3.19Å; S351-H356 PolarHBondContact O-CE1 2.85Å; S351-H356 VanDerWaalsContact O-CE1 3.28Å; S351-H356 PolarHBondContact O-ND1 2.89Å; H356-Q401 HydrophobicContact CB-CB 4.21Å; H356-Q401 PolarHBondContact N-O 3.3Å; H356-Q401 PolarHBondContact O-N 2.7Å; H356-N403 PolarHBondContact CE1-ND2 2.65Å; H356-N403 PolarHBondContact NE2-ND2 3.36Å |
| 357 | Y | 97.5 | Very high | 93 | Very high | 23 Ų | 23 | 39.8 Ų | 39.8 | 9% | 0.09 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 143.7 | -170.5 | -55.5 | -81.7 | 0 | 0 | 0 | 111.8 | P334 V349 N355 Y359 L397 E400 R432 | P334-Y357 HydrophobicContact CB-CE2 4.1Å; P334-Y357 HydrophobicContact CG-CD2 4.24Å; P334-Y357 HydrophobicContact CG-CE2 3.61Å; V349-Y357 PolarHBondContact N-O 3.48Å; V349-Y357 PolarHBondContact O-N 3.5Å; N355-Y357 HydrophobicContact CB-CE1 4.47Å; N355-Y357 WeakPolarHBondContact O-CE2 3.46Å; Y357-Y359 HydrophobicContact CG-CE2 4.16Å; Y357-L397 HydrophobicContact CD1-CD1 3.78Å; Y357-L397 HydrophobicContact CG-CD1 4.41Å; Y357-E400 HydrophobicContact CD1-CB 4.3Å; Y357-E400 HydrophobicContact CD1-CG 4.03Å; Y357-E400 HydrophobicContact CE1-CB 4.41Å; Y357-E400 HydrophobicContact CE1-CG 3.73Å; Y357-E400 WeakPolarHBondContact CE1-OE1 3.34Å; Y357-E400 PolarHBondContact OH-OE1 3.43Å; Y357-R432 VanDerWaalsContact CE2-NH2 3.3Å; Y357-R432 PolarHBondContact OH-NH2 3.13Å |
| 358 | L | 97.6 | Very high | 92.1 | Very high | 2 Ų | 2 | 42.3 Ų | 42.3 | 1% | 0.01 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 121.4 | 165.1 | -173.6 | 75 | 0 | 0 | 0 | 108.6 | P43 G48 V50 L342 F346 F348 V398 D399 | P43-L358 HydrophobicContact CB-CD2 4.22Å; G48-L358 WeakPolarHBondContact O-CD2 3.33Å; V50-L358 HydrophobicContact CG2-CB 4.07Å; V50-L358 HydrophobicContact CG2-CD1 4.44Å; V50-L358 HydrophobicContact CG2-CD2 3.72Å; V50-L358 HydrophobicContact CG2-CG 4.29Å; L342-L358 HydrophobicContact CD1-CD1 4.38Å; F346-L358 HydrophobicContact CB-CD1 4.14Å; F346-L358 HydrophobicContact CD1-CD1 4.31Å; F346-L358 HydrophobicContact CD1-CD2 3.86Å; F346-L358 HydrophobicContact CD1-CG 3.97Å; F346-L358 HydrophobicContact CE1-CD2 4.2Å; F348-L358 HydrophobicContact CB-CD1 3.91Å; F348-L358 HydrophobicContact CD2-CD1 4.19Å; L358-V398 PolarHBondContact O-N 3.13Å; L358-D399 HydrophobicContact CB-CB 3.99Å; L358-D399 PolarHBondContact N-O 3.13Å; L358-D399 PolarHBondContact O-N 2.78Å; L358-D399 VanDerWaalsContact O-N 3.15Å |
| 359 | Y | 97.5 | Very high | 91.5 | Very high | 10 Ų | 10 | 52.2 Ų | 52.2 | 4% | 0.039 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 148.7 | 175.4 | -58.9 | -85.6 | 0 | 0 | 0 | 110.8 | I333 F346 L347 V349 Y357 L392 L395 V396 L397 | I333-Y359 HydrophobicContact CB-CE2 4.41Å; I333-Y359 HydrophobicContact CG2-CE1 4.47Å; I333-Y359 HydrophobicContact CG2-CE2 3.9Å; F346-Y359 CarbonylContact C-O 3Å; F346-Y359 VanDerWaalsContact CA-O 3.27Å; F346-Y359 WeakPolarHBondContact CA-O 3.39Å; F346-Y359 WeakPolarHBondContact CD1-O 3.41Å; L347-Y359 PolarHBondContact N-O 3.5Å; L347-Y359 PolarHBondContact O-N 3.33Å; V349-Y359 HydrophobicContact CB-CE2 4.25Å; V349-Y359 HydrophobicContact CG2-CD2 3.76Å; V349-Y359 HydrophobicContact CG2-CE2 3.76Å; Y357-Y359 HydrophobicContact CG-CE2 4.16Å; Y359-L392 HydrophobicContact CD1-CD1 4.29Å; Y359-L392 HydrophobicContact CE1-CD1 3.81Å; Y359-L395 HydrophobicContact CD1-CB 4.1Å; Y359-L395 HydrophobicContact CG-CB 4.25Å; Y359-L395 HydrophobicContact CG-CD1 4.27Å; Y359-V396 CarbonylContact C-O 3.46Å; Y359-V396 WeakPolarHBondContact CA-O 3.47Å; Y359-L397 HydrophobicContact CD1-CB 4.08Å; Y359-L397 HydrophobicContact CD1-CD1 4.14Å; Y359-L397 HydrophobicContact CE1-CB 3.95Å; Y359-L397 HydrophobicContact CE1-CD1 3.76Å; Y359-L397 HydrophobicContact CE1-CG 4.43Å |
| 360 | Q | 96.4 | Very high | 91 | Very high | 93 Ų | 93 | 54.3 Ų | 54.3 | 44% | 0.435 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 134.6 | 165 | -177.4 | 175.5 | 19.8 | 0 | 0 | 109.3 | F346 A362 L395 V396 V398 | F346-Q360 HydrophobicContact CD1-CB 4.2Å; F346-Q360 HydrophobicContact CE1-CB 4.07Å; F346-Q360 HydrophobicContact CE1-CG 4.44Å; Q360-A362 PolarHBondContact O-N 2.89Å; Q360-L395 WeakPolarHBondContact O-CA 3.29Å; Q360-V396 PolarHBondContact N-O 2.89Å; Q360-V396 PolarHBondContact O-N 3.35Å; Q360-V398 HydrophobicContact CB-CG2 3.57Å |
| 361 | I | 95.3 | Very high | 90.6 | Very high | 27 Ų | 27 | 57.1 Ų | 57.1 | 14% | 0.138 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 103.2 | 176.9 | -57.9 | 173.4 | 0 | 0 | 0 | 107.4 | F330 V341 G345 L347 H363 L364 L395 | F330-I361 HydrophobicContact CZ-CG2 4.47Å; V341-I361 HydrophobicContact CG1-CD1 3.91Å; G345-I361 PolarHBondContact O-N 3.39Å; L347-I361 HydrophobicContact CB-CD1 4.39Å; L347-I361 HydrophobicContact CB-CG1 4.31Å; I361-H363 WeakPolarHBondContact CG2-O 3.39Å; I361-L364 HydrophobicContact CG2-CD2 4.29Å; I361-L395 HydrophobicContact CG1-CD2 3.87Å |
| 362 | A | 93.2 | Very high | 90.3 | Very high | 52 Ų | 52 | 60.6 Ų | 60.6 | 43% | 0.43 | 31% | 0.311 | S | S | . | . | trans | -78.1 | -40.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | Q360 N394 V396 | Q360-A362 PolarHBondContact O-N 2.89Å; A362-N394 PolarHBondContact N-O 2.89Å; A362-V396 HydrophobicContact CB-CG2 4.32Å | ||
| 363 | H | 91.8 | Very high | 90.2 | Very high | 119 Ų | 119 | 57.3 Ų | 57.3 | 55% | 0.551 | 30% | 0.295 | S | S | * | . | trans | -135.9 | 147.9 | -177.6 | -58.4 | -63.4 | 0 | 0 | 0 | 110.7 | I361 G365 N394 | I361-H363 WeakPolarHBondContact CG2-O 3.39Å; H363-G365 VanDerWaalsContact C-N 3.27Å; H363-G365 PolarHBondContact O-N 3.27Å; H363-N394 WeakPolarHBondContact CB-OD1 3.17Å; H363-N394 PolarHBondContact N-O 2.76Å | ||
| 364 | L | 87.3 | Confident | 90.1 | Very high | 86 Ų | 86 | 54.6 Ų | 54.6 | 45% | 0.45 | 28% | 0.284 | S | S | . | . | trans | -84.3 | 0.9 | 178.8 | -70.1 | 172.6 | 0 | 0 | 0 | 113.2 | F300 K312 I361 | F300-L364 HydrophobicContact CE1-CD2 4.27Å; F300-L364 HydrophobicContact CZ-CD2 4.17Å; K312-L364 WeakPolarHBondContact CD-O 3.47Å; K312-L364 PolarHBondContact NZ-O 2.98Å; I361-L364 HydrophobicContact CG2-CD2 4.29Å | ||
| 365 | G | 81 | Confident | 90 | Very high | 6 Ų | 6 | 55.7 Ų | 55.7 | 6% | 0.062 | 29% | 0.291 | C | S | . | . | S | Bend | trans | 76.9 | 16.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | K328 H363 | K328-G365 WeakPolarHBondContact CD-O 3.41Å; K328-G365 VanDerWaalsContact CE-O 3.24Å; K328-G365 WeakPolarHBondContact CE-O 3.34Å; K328-G365 PolarHBondContact NZ-O 2.8Å; H363-G365 VanDerWaalsContact C-N 3.27Å; H363-G365 PolarHBondContact O-N 3.27Å |
| 366 | D | 76.5 | Confident | 89.7 | Confident | 73 Ų | 73 | 58 Ų | 58 | 39% | 0.39 | 31% | 0.313 | S | S | . | . | trans | -91.1 | -38.3 | -177.9 | -66.1 | -41.4 | 0 | 0 | 0 | 113.4 | K312 K328 D368 | K312-D366 IonicContact NZ-OD1 3.65Å; K312-D366 PolarHBondContact NZ-OD1 2.63Å; K312-D366 IonicContact NZ-OD2 2.61Å; K312-D366 PolarHBondContact NZ-OD2 2.89Å; K328-D366 PolarHBondContact NZ-O 3.12Å; D366-D368 PolarHBondContact O-N 3.4Å | ||
| 367 | D | 69.9 | Low | 89.3 | Confident | 174 Ų | 174 | 62.3 Ų | 62.3 | 93% | 0.93 | 33% | 0.334 | S | S | * | . | S | Bend | trans | -97.9 | 28.5 | -167.1 | -60.9 | -47.7 | 0 | 0 | 0 | 115 | ||
| 368 | D | 79.8 | Confident | 88.5 | Confident | 52 Ų | 52 | 67.4 Ų | 67.4 | 28% | 0.278 | 37% | 0.37 | S | S | . | . | S | Bend | trans | -111.8 | 161.4 | 177.7 | 60.3 | 10.2 | 0 | 0 | 0 | 113 | K328 D366 E370 | K328-D368 WeakPolarHBondContact CE-OD1 2.9Å; K328-D368 IonicContact NZ-OD1 2.78Å; K328-D368 PolarHBondContact NZ-OD1 3Å; D366-D368 PolarHBondContact O-N 3.4Å; D368-E370 HydrophobicContact CB-CG 4.44Å; D368-E370 PolarHBondContact O-N 2.87Å |
| 369 | E | 84.2 | Confident | 87.7 | Confident | 209 Ų | 209 | 70.7 Ų | 70.7 | 98% | 0.977 | 39% | 0.387 | S | S | * | . | S | Bend | trans | -75.3 | 17.4 | 178.8 | -61.9 | -174.5 | 171.9 | 0 | 0 | 113.2 | ||
| 370 | E | 88.9 | Confident | 86.6 | Confident | 43 Ų | 43 | 77.6 Ų | 77.6 | 20% | 0.201 | 42% | 0.42 | C | S | . | . | P | Polyproline II helix | trans | -77.9 | 141.3 | -179.7 | -69.9 | -77.1 | 172.5 | 0 | 0 | 111.1 | K328 D368 E372 R390 | K328-E370 WeakPolarHBondContact CE-O 3.46Å; D368-E370 HydrophobicContact CB-CG 4.44Å; D368-E370 PolarHBondContact O-N 2.87Å; E370-E372 PolarHBondContact O-N 3.01Å; E370-R390 VanDerWaalsContact CG-NH1 3.32Å; E370-R390 WeakPolarHBondContact OE1-CD 3.31Å; E370-R390 IonicContact OE1-CZ 3.41Å; E370-R390 IonicContact OE1-NE 3.13Å; E370-R390 IonicContact OE1-NH1 3.38Å; E370-R390 PolarHBondContact OE1-NH1 3.43Å; E370-R390 IonicContact OE2-NH1 2.92Å; E370-R390 PolarHBondContact OE2-NH1 3.08Å; E370-R390 VanDerWaalsContact OE2-NH1 3.16Å |
| 371 | P | 90.3 | Very high | 84.9 | Confident | 60 Ų | 60 | 83.2 Ų | 83.2 | 39% | 0.39 | 45% | 0.446 | S | S | . | . | P | Polyproline II helix | trans | -65.9 | 132.6 | -179.3 | 28.3 | -34.4 | 0 | 0 | 0 | 111 | F373 | P371-F373 HydrophobicContact CB-CE1 3.86Å; P371-F373 HydrophobicContact CB-CZ 3.94Å; P371-F373 HydrophobicContact CG-CE1 4.18Å; P371-F373 HydrophobicContact CG-CZ 3.76Å |
| 372 | E | 91.1 | Very high | 83.5 | Confident | 72 Ų | 72 | 85.4 Ų | 85.4 | 34% | 0.336 | 48% | 0.475 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 128 | 171.2 | -174.7 | 175.3 | 179.4 | 0 | 0 | 108.8 | R326 K328 E370 M377 | R326-E372 HydrophobicContact CB-CG 4.31Å; R326-E372 WeakPolarHBondContact CB-OE1 3.35Å; R326-E372 WeakPolarHBondContact CD-OE1 3.36Å; R326-E372 IonicContact NH1-OE1 2.92Å; K328-E372 HydrophobicContact CB-CG 4.4Å; K328-E372 HydrophobicContact CD-CB 4.31Å; E370-E372 PolarHBondContact O-N 3.01Å; E372-M377 WeakPolarHBondContact O-CE 3.28Å |
| 373 | F | 93.3 | Very high | 82.8 | Confident | 14 Ų | 14 | 87.6 Ų | 87.6 | 6% | 0.061 | 48% | 0.48 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 132.8 | -176.3 | -49.6 | -64.4 | 0 | 0 | 0 | 109.7 | P272 R326 L327 P371 F385 F387 | P272-F373 HydrophobicContact CB-CD2 4.01Å; P272-F373 HydrophobicContact CB-CE2 3.84Å; P272-F373 HydrophobicContact CG-CD2 3.44Å; P272-F373 VanDerWaalsContact CG-CD2 3.44Å; P272-F373 HydrophobicContact CG-CE2 3.8Å; P272-F373 HydrophobicContact CG-CG 4.23Å; R326-F373 CarbonylContact C-O 3.55Å; R326-F373 VanDerWaalsContact CA-O 3.26Å; R326-F373 WeakPolarHBondContact CA-O 3.15Å; L327-F373 PolarHBondContact N-O 2.87Å; L327-F373 WeakPolarHBondContact O-CD2 3.44Å; L327-F373 PolarHBondContact O-N 3.12Å; P371-F373 HydrophobicContact CB-CE1 3.86Å; P371-F373 HydrophobicContact CB-CZ 3.94Å; P371-F373 HydrophobicContact CG-CE1 4.18Å; P371-F373 HydrophobicContact CG-CZ 3.76Å; F373-F385 HydrophobicContact CB-CB 4.45Å; F373-F385 HydrophobicContact CB-CD1 4.33Å; F373-F385 HydrophobicContact CB-CD2 3.73Å; F373-F385 HydrophobicContact CB-CE2 3.99Å; F373-F385 HydrophobicContact CB-CG 3.92Å; F373-F385 HydrophobicContact CB-CZ 4.39Å; F373-F385 HydrophobicContact CD1-CB 3.53Å; F373-F385 AromaticContact CD1-CD1 3.48Å; F373-F385 HydrophobicContact CD1-CD1 3.48Å; F373-F385 VanDerWaalsContact CD1-CD1 3.48Å; F373-F385 HydrophobicContact CD1-CD2 4.19Å; F373-F385 HydrophobicContact CD1-CE1 4.22Å; F373-F385 AromaticContact CD1-CG 3.46Å; F373-F385 HydrophobicContact CD1-CG 3.46Å; F373-F385 VanDerWaalsContact CD1-CG 3.46Å; F373-F385 HydrophobicContact CD2-CB 4.21Å; F373-F385 HydrophobicContact CE1-CB 3.7Å; F373-F385 HydrophobicContact CE1-CD1 4.11Å; F373-F385 HydrophobicContact CE1-CG 4.1Å; F373-F385 HydrophobicContact CE2-CB 4.35Å; F373-F385 HydrophobicContact CG-CB 3.8Å; F373-F385 HydrophobicContact CG-CD1 4.15Å; F373-F385 HydrophobicContact CG-CD2 4.03Å; F373-F385 AromaticContact CG-CG 3.73Å; F373-F385 HydrophobicContact CG-CG 3.73Å; F373-F385 HydrophobicContact CZ-CB 4.1Å; F373-F387 HydrophobicContact CE2-CB 4.32Å; F373-F387 HydrophobicContact CZ-CB 4.25Å |
| 374 | S | 93.5 | Very high | 82.6 | Confident | 7 Ų | 7 | 83.4 Ų | 83.4 | 5% | 0.049 | 46% | 0.463 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 145.3 | 176.6 | 169.3 | 0 | 0 | 0 | 0 | 111 | E324 I325 A376 M377 | E324-S374 PolarHBondContact OE2-OG 2.81Å; I325-S374 WeakPolarHBondContact O-CA 3.42Å; S374-A376 PolarHBondContact O-N 2.9Å; S374-A376 PolarHBondContact OG-N 3.03Å; S374-M377 PolarHBondContact O-N 2.75Å |
| 375 | S | 91.9 | Very high | 82.8 | Confident | 28 Ų | 28 | 80.4 Ų | 80.4 | 20% | 0.196 | 45% | 0.446 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | -21.8 | 167.8 | 57.3 | 0 | 0 | 0 | 0 | 114.4 | I267 R268 E324 I325 | I267-S375 VanDerWaalsContact CG2-OG 3.3Å; I267-S375 WeakPolarHBondContact CG2-OG 3.29Å; R268-S375 WeakPolarHBondContact O-CB 3.42Å; E324-S375 WeakPolarHBondContact CA-OG 3.23Å; E324-S375 WeakPolarHBondContact CB-OG 3.35Å; I325-S375 PolarHBondContact N-OG 3.48Å; I325-S375 PolarHBondContact O-N 2.89Å |
| 376 | A | 90.2 | Very high | 83.4 | Confident | 67 Ų | 67 | 84.9 Ų | 84.9 | 55% | 0.554 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84 | -10.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | E324 S374 | E324-A376 HydrophobicContact CB-CB 4.36Å; E324-A376 VanDerWaalsContact OE2-CB 3.29Å; E324-A376 WeakPolarHBondContact OE2-CB 3.32Å; S374-A376 PolarHBondContact O-N 2.9Å; S374-A376 PolarHBondContact OG-N 3.03Å |
| 377 | M | 89.1 | Confident | 84.2 | Confident | 92 Ų | 92 | 81.5 Ų | 81.5 | 45% | 0.453 | 45% | 0.446 | S | S | . | . | S | Bend | trans | -72.1 | 127.9 | 177.4 | -68.3 | 180 | -179.7 | 0 | 0 | 110 | E372 S374 L379 F385 | E372-M377 WeakPolarHBondContact O-CE 3.28Å; S374-M377 PolarHBondContact O-N 2.75Å; M377-L379 PolarHBondContact O-N 3.33Å; M377-F385 HydrophobicContact CB-CE1 4.27Å; M377-F385 HydrophobicContact CB-CZ 4.01Å; M377-F385 HydrophobicContact SD-CE1 4.18Å; M377-F385 HydrophobicContact SD-CZ 4.42Å |
| 378 | P | 80.2 | Confident | 85.3 | Confident | 129 Ų | 129 | 77.1 Ų | 77.1 | 84% | 0.838 | 42% | 0.42 | S | S | * | . | trans | -71.5 | 121.7 | -179.4 | 28.6 | -32.8 | 0 | 0 | 0 | 110.3 | ||||
| 379 | L | 80.6 | Confident | 85.9 | Confident | 71 Ų | 71 | 75 Ų | 75 | 37% | 0.372 | 41% | 0.409 | S | S | . | . | trans | -116.1 | 150.1 | 168 | -69.6 | 173.7 | 0 | 0 | 0 | 109 | P270 M377 F385 | P270-L379 HydrophobicContact CG-CD1 3.82Å; M377-L379 PolarHBondContact O-N 3.33Å; L379-F385 HydrophobicContact CD1-CD1 4.12Å; L379-F385 HydrophobicContact CD1-CD2 3.99Å; L379-F385 HydrophobicContact CD1-CE1 3.7Å; L379-F385 HydrophobicContact CD1-CE2 3.56Å; L379-F385 HydrophobicContact CD1-CG 4.25Å; L379-F385 HydrophobicContact CD1-CZ 3.4Å; L379-F385 HydrophobicContact CD2-CD1 4.26Å; L379-F385 HydrophobicContact CD2-CE1 3.84Å; L379-F385 HydrophobicContact CD2-CZ 4.31Å; L379-F385 HydrophobicContact CG-CE1 3.92Å; L379-F385 HydrophobicContact CG-CZ 3.86Å | ||
| 380 | E | 75.1 | Confident | 86.3 | Confident | 156 Ų | 156 | 65.8 Ų | 65.8 | 73% | 0.729 | 37% | 0.365 | S | S | * | . | trans | -70.4 | 152.5 | 168.9 | -66.8 | -168.8 | 175.3 | 0 | 0 | 110.3 | G382 D383 | E380-G382 PolarHBondContact O-N 3.24Å; E380-G382 VanDerWaalsContact O-N 3.07Å; E380-D383 PolarHBondContact O-N 3.05Å | ||
| 381 | E | 60.9 | Low | 86.6 | Confident | 210 Ų | 210 | 68.1 Ų | 68.1 | 98% | 0.981 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | 110.5 | -177.2 | -164.2 | 175.4 | -167.9 | 0 | 0 | 110 | ||
| 382 | G | 64.5 | Low | 86.8 | Confident | 73 Ų | 73 | 68.2 Ų | 68.2 | 75% | 0.753 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 110.2 | -12.9 | -176.4 | 0 | 0 | 0 | 0 | 0 | 115 | E380 | E380-G382 PolarHBondContact O-N 3.24Å; E380-G382 VanDerWaalsContact O-N 3.07Å |
| 383 | D | 79.6 | Confident | 86.9 | Confident | 99 Ų | 99 | 70.9 Ų | 70.9 | 53% | 0.529 | 39% | 0.391 | S | S | . | . | trans | -84.2 | 154.1 | 174.1 | -79.4 | -13 | 0 | 0 | 0 | 112.1 | E380 | E380-D383 PolarHBondContact O-N 3.05Š| ||
| 384 | T | 86.9 | Confident | 87 | Confident | 31 Ų | 31 | 70.5 Ų | 70.5 | 19% | 0.19 | 39% | 0.39 | C | S | . | . | trans | -135.1 | 165.1 | 176.7 | -171.3 | 0 | 0 | 0 | 0 | 111.5 | I271 R273 F386 | I271-T384 PolarHBondContact O-OG1 2.85Å; I271-T384 VanDerWaalsContact O-OG1 3.08Å; R273-T384 HydrophobicContact CB-CG2 4.26Å; R273-T384 HydrophobicContact CG-CG2 3.97Å; T384-F386 HydrophobicContact CG2-CE1 4.32Å; T384-F386 HydrophobicContact CG2-CE2 4.16Å; T384-F386 HydrophobicContact CG2-CZ 3.94Å; T384-F386 WeakPolarHBondContact O-CD2 3.39Å; T384-F386 WeakPolarHBondContact O-CE2 3.34Å | ||
| 385 | F | 92.2 | Very high | 87.2 | Confident | 22 Ų | 22 | 70.3 Ų | 70.3 | 10% | 0.096 | 39% | 0.388 | C | S | . | . | trans | -75.1 | 147.2 | 172.6 | -60.2 | -64.9 | 0 | 0 | 0 | 111.4 | P270 P272 R273 F373 M377 L379 | P270-F385 HydrophobicContact CG-CD2 3.89Å; P270-F385 HydrophobicContact CG-CE2 3.79Å; P272-F385 CarbonylContact C-O 3.57Å; P272-F385 VanDerWaalsContact CA-O 3.29Å; P272-F385 WeakPolarHBondContact CA-O 3.46Å; P272-F385 HydrophobicContact CB-CB 4.03Å; P272-F385 HydrophobicContact CG-CB 4.22Å; R273-F385 PolarHBondContact N-O 2.82Å; F373-F385 HydrophobicContact CB-CB 4.45Å; F373-F385 HydrophobicContact CB-CD1 4.33Å; F373-F385 HydrophobicContact CB-CD2 3.73Å; F373-F385 HydrophobicContact CB-CE2 3.99Å; F373-F385 HydrophobicContact CB-CG 3.92Å; F373-F385 HydrophobicContact CB-CZ 4.39Å; F373-F385 HydrophobicContact CD1-CB 3.53Å; F373-F385 AromaticContact CD1-CD1 3.48Å; F373-F385 HydrophobicContact CD1-CD1 3.48Å; F373-F385 VanDerWaalsContact CD1-CD1 3.48Å; F373-F385 HydrophobicContact CD1-CD2 4.19Å; F373-F385 HydrophobicContact CD1-CE1 4.22Å; F373-F385 AromaticContact CD1-CG 3.46Å; F373-F385 HydrophobicContact CD1-CG 3.46Å; F373-F385 VanDerWaalsContact CD1-CG 3.46Å; F373-F385 HydrophobicContact CD2-CB 4.21Å; F373-F385 HydrophobicContact CE1-CB 3.7Å; F373-F385 HydrophobicContact CE1-CD1 4.11Å; F373-F385 HydrophobicContact CE1-CG 4.1Å; F373-F385 HydrophobicContact CE2-CB 4.35Å; F373-F385 HydrophobicContact CG-CB 3.8Å; F373-F385 HydrophobicContact CG-CD1 4.15Å; F373-F385 HydrophobicContact CG-CD2 4.03Å; F373-F385 AromaticContact CG-CG 3.73Å; F373-F385 HydrophobicContact CG-CG 3.73Å; F373-F385 HydrophobicContact CZ-CB 4.1Å; M377-F385 HydrophobicContact CB-CE1 4.27Å; M377-F385 HydrophobicContact CB-CZ 4.01Å; M377-F385 HydrophobicContact SD-CE1 4.18Å; M377-F385 HydrophobicContact SD-CZ 4.42Å; L379-F385 HydrophobicContact CD1-CD1 4.12Å; L379-F385 HydrophobicContact CD1-CD2 3.99Å; L379-F385 HydrophobicContact CD1-CE1 3.7Å; L379-F385 HydrophobicContact CD1-CE2 3.56Å; L379-F385 HydrophobicContact CD1-CG 4.25Å; L379-F385 HydrophobicContact CD1-CZ 3.4Å; L379-F385 HydrophobicContact CD2-CD1 4.26Å; L379-F385 HydrophobicContact CD2-CE1 3.84Å; L379-F385 HydrophobicContact CD2-CZ 4.31Å; L379-F385 HydrophobicContact CG-CE1 3.92Å; L379-F385 HydrophobicContact CG-CZ 3.86Å | ||
| 386 | F | 92.2 | Very high | 87.4 | Confident | 101 Ų | 101 | 72.6 Ų | 72.6 | 44% | 0.443 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 138.5 | 177.4 | -66.2 | -84.8 | 0 | 0 | 0 | 112.7 | R273 R275 T384 | R273-F386 HydrophobicContact CB-CD1 4.16Å; R273-F386 HydrophobicContact CB-CE1 4.11Å; R273-F386 VanDerWaalsContact O-CA 3.23Å; R273-F386 WeakPolarHBondContact O-CA 3.43Å; R275-F386 HydrophobicContact CG-CB 3.69Å; R275-F386 HydrophobicContact CG-CG 4.5Å; T384-F386 HydrophobicContact CG2-CE1 4.32Å; T384-F386 HydrophobicContact CG2-CE2 4.16Å; T384-F386 HydrophobicContact CG2-CZ 3.94Å; T384-F386 WeakPolarHBondContact O-CD2 3.39Å; T384-F386 WeakPolarHBondContact O-CE2 3.34Å |
| 387 | F | 94 | Very high | 87.7 | Confident | 2 Ų | 2 | 73.4 Ų | 73.4 | 1% | 0.009 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 161.5 | 175.7 | 74.5 | -78.2 | 0 | 0 | 0 | 111.6 | P272 R273 R274 R275 D309 F311 Y329 F373 | P272-F387 HydrophobicContact CB-CD1 3.92Å; P272-F387 HydrophobicContact CB-CE1 4.42Å; R273-F387 VanDerWaalsContact C-CE1 3.5Å; R273-F387 WeakPolarHBondContact O-CD1 3.4Å; R273-F387 PolarHBondContact O-N 2.75Å; R274-F387 WeakPolarHBondContact CA-O 3.25Å; R274-F387 HydrophobicContact CG-CE1 3.97Å; R274-F387 HydrophobicContact CG-CE2 4.16Å; R274-F387 HydrophobicContact CG-CZ 3.57Å; R275-F387 PolarHBondContact N-O 2.89Å; D309-F387 HydrophobicContact CB-CZ 4.12Å; F311-F387 HydrophobicContact CE1-CD1 4.33Å; F311-F387 HydrophobicContact CE1-CE1 4.27Å; F311-F387 HydrophobicContact CE2-CE1 4.49Å; F311-F387 HydrophobicContact CZ-CD1 4.04Å; F311-F387 AromaticContact CZ-CE1 3.55Å; F311-F387 HydrophobicContact CZ-CE1 3.55Å; F311-F387 AromaticContact CZ-CZ 3.89Å; F311-F387 HydrophobicContact CZ-CZ 3.89Å; Y329-F387 AromaticContact CD1-CD2 3.57Å; Y329-F387 HydrophobicContact CD1-CD2 3.57Å; Y329-F387 AromaticContact CD1-CE2 3.99Å; Y329-F387 HydrophobicContact CD1-CE2 3.99Å; Y329-F387 AromaticContact CD2-CD2 3.82Å; Y329-F387 HydrophobicContact CD2-CD2 3.82Å; Y329-F387 AromaticContact CD2-CE2 3.48Å; Y329-F387 HydrophobicContact CD2-CE2 3.48Å; Y329-F387 VanDerWaalsContact CD2-CE2 3.48Å; Y329-F387 HydrophobicContact CD2-CZ 4.24Å; Y329-F387 HydrophobicContact CE1-CD2 4.02Å; Y329-F387 HydrophobicContact CE1-CE2 4.13Å; Y329-F387 HydrophobicContact CE2-CD2 4.24Å; Y329-F387 AromaticContact CE2-CE2 3.64Å; Y329-F387 HydrophobicContact CE2-CE2 3.64Å; Y329-F387 HydrophobicContact CE2-CZ 4.49Å; Y329-F387 AromaticContact CG-CD2 3.47Å; Y329-F387 HydrophobicContact CG-CD2 3.47Å; Y329-F387 VanDerWaalsContact CG-CD2 3.47Å; Y329-F387 AromaticContact CG-CE2 3.68Å; Y329-F387 HydrophobicContact CG-CE2 3.68Å; Y329-F387 HydrophobicContact CG-CG 4.31Å; Y329-F387 AromaticContact CZ-CE2 3.98Å; F373-F387 HydrophobicContact CE2-CB 4.32Å; F373-F387 HydrophobicContact CZ-CB 4.25Å |
| 388 | Q | 91.9 | Very high | 88 | Confident | 81 Ų | 81 | 71 Ų | 71 | 38% | 0.379 | 39% | 0.386 | S | S | . | . | trans | -101.5 | 120.6 | 175.6 | -171.5 | 66.2 | 27.8 | 0 | 0 | 109.3 | ||||
| 389 | P | 93.7 | Very high | 88.7 | Confident | 7 Ų | 7 | 65.7 Ų | 65.7 | 5% | 0.045 | 35% | 0.35 | C | S | . | . | trans | -65 | 145.2 | 173.9 | 28.6 | -35.9 | 0 | 0 | 0 | 110.7 | R274 L847 F852 | R274-P389 HydrophobicContact CG-CG 4.46Å; P389-L847 HydrophobicContact CB-CD1 4.37Å; P389-L847 HydrophobicContact CG-CD1 3.52Å; P389-F852 HydrophobicContact CB-CD1 3.92Å; P389-F852 HydrophobicContact CB-CE1 4Å | ||
| 390 | R | 93 | Very high | 89.3 | Confident | 17 Ų | 17 | 66.1 Ų | 66.1 | 6% | 0.064 | 35% | 0.35 | C | S | . | . | trans | -140.8 | 159.5 | -178 | 73.7 | -175.5 | 177.4 | -97 | -8.6 | 112.3 | Y329 F330 E370 N394 F852 | Y329-R390 HydrophobicContact CE1-CG 3.97Å; Y329-R390 VanDerWaalsContact CE1-NH1 3.33Å; Y329-R390 PolarHBondContact O-NH2 3.42Å; Y329-R390 PolarHBondContact OH-N 2.89Å; Y329-R390 PolarHBondContact OH-O 3.32Å; F330-R390 PolarHBondContact O-NH2 3.18Å; E370-R390 VanDerWaalsContact CG-NH1 3.32Å; E370-R390 WeakPolarHBondContact OE1-CD 3.31Å; E370-R390 IonicContact OE1-CZ 3.41Å; E370-R390 IonicContact OE1-NE 3.13Å; E370-R390 IonicContact OE1-NH1 3.38Å; E370-R390 PolarHBondContact OE1-NH1 3.43Å; E370-R390 IonicContact OE2-NH1 2.92Å; E370-R390 PolarHBondContact OE2-NH1 3.08Å; E370-R390 VanDerWaalsContact OE2-NH1 3.16Å; R390-N394 PolarHBondContact NH2-ND2 2.77Å; R390-F852 VanDerWaalsContact O-CE1 3.28Å; R390-F852 WeakPolarHBondContact O-CE1 3.32Å; R390-F852 WeakPolarHBondContact O-CZ 3.43Å | ||
| 391 | P | 94.2 | Very high | 90 | Very high | 91 Ų | 91 | 59.9 Ų | 59.9 | 59% | 0.591 | 32% | 0.321 | S | S | * | . | S | Bend | trans | -59.7 | 158 | 170.7 | -22.5 | 34 | 0 | 0 | 0 | 112.4 | K393 | P391-K393 PolarHBondContact O-N 3.5Š|
| 392 | L | 94.6 | Very high | 91.5 | Very high | 63 Ų | 63 | 53.4 Ų | 53.4 | 33% | 0.33 | 29% | 0.291 | S | S | . | . | trans | -51.7 | 122.1 | -177.1 | -58.5 | 177.4 | 0 | 0 | 0 | 111.9 | D331 T332 I333 Y359 L395 | D331-L392 HydrophobicContact CB-CD2 3.98Å; T332-L392 WeakPolarHBondContact O-CD2 3.24Å; I333-L392 HydrophobicContact CG2-CD2 4.16Å; Y359-L392 HydrophobicContact CD1-CD1 4.29Å; Y359-L392 HydrophobicContact CE1-CD1 3.81Å; L392-L395 WeakPolarHBondContact CB-O 3.44Å; L392-L395 HydrophobicContact CD2-CB 4.4Å | ||
| 393 | K | 93.9 | Very high | 92.8 | Very high | 128 Ų | 128 | 50 Ų | 50 | 56% | 0.557 | 26% | 0.255 | S | S | * | . | S | Bend | trans | -119.6 | -38.1 | 173 | -72.1 | -170.3 | -176.5 | 171.6 | 0 | 112.4 | D331 P391 | D331-K393 PolarHBondContact OD1-N 2.8Å; D331-K393 VanDerWaalsContact OD1-N 3.09Å; D331-K393 PolarHBondContact OD2-N 2.95Å; P391-K393 PolarHBondContact O-N 3.5Å |
| 394 | N | 95.5 | Very high | 93.6 | Very high | 5 Ų | 5 | 45.5 Ų | 45.5 | 3% | 0.027 | 23% | 0.232 | C | C | . | . | S | Bend | trans | -87.2 | -25.6 | -178.2 | -67.4 | -47.2 | 0 | 0 | 0 | 111.5 | F330 D331 A362 H363 R390 | F330-N394 HydrophobicContact CD1-CB 4.41Å; F330-N394 HydrophobicContact CD2-CB 4.29Å; F330-N394 HydrophobicContact CE1-CB 3.91Å; F330-N394 HydrophobicContact CE2-CB 3.77Å; F330-N394 HydrophobicContact CZ-CB 3.56Å; F330-N394 PolarHBondContact O-ND2 2.69Å; D331-N394 WeakPolarHBondContact OD2-CA 3.37Å; D331-N394 WeakPolarHBondContact OD2-CB 3.5Å; D331-N394 PolarHBondContact OD2-N 2.96Å; A362-N394 PolarHBondContact N-O 2.89Å; H363-N394 WeakPolarHBondContact CB-OD1 3.17Å; H363-N394 PolarHBondContact N-O 2.76Å; R390-N394 PolarHBondContact NH2-ND2 2.77Å |
| 395 | L | 96.6 | Very high | 94.1 | Very high | 3 Ų | 3 | 44.4 Ų | 44.4 | 2% | 0.016 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 143.4 | 179.7 | -62.5 | 176.6 | 0 | 0 | 0 | 112.4 | I310 F330 D331 I333 L347 Y359 Q360 I361 L392 | I310-L395 HydrophobicContact CD1-CD1 4.38Å; F330-L395 HydrophobicContact CE1-CD1 4.14Å; F330-L395 HydrophobicContact CE1-CD2 3.85Å; F330-L395 HydrophobicContact CE1-CG 3.81Å; F330-L395 HydrophobicContact CZ-CD2 4.4Å; D331-L395 HydrophobicContact CB-CD1 4.17Å; D331-L395 HydrophobicContact CB-CG 4.48Å; D331-L395 PolarHBondContact OD2-N 2.84Å; I333-L395 HydrophobicContact CG2-CD1 4.03Å; L347-L395 HydrophobicContact CB-CD2 4.36Å; L347-L395 HydrophobicContact CD2-CD1 3.8Å; L347-L395 HydrophobicContact CD2-CD2 4.07Å; Y359-L395 HydrophobicContact CD1-CB 4.1Å; Y359-L395 HydrophobicContact CG-CB 4.25Å; Y359-L395 HydrophobicContact CG-CD1 4.27Å; Q360-L395 WeakPolarHBondContact O-CA 3.29Å; I361-L395 HydrophobicContact CG1-CD2 3.87Å; L392-L395 WeakPolarHBondContact CB-O 3.44Å; L392-L395 HydrophobicContact CD2-CB 4.4Å |
| 396 | V | 96.5 | Very high | 94.3 | Very high | 76 Ų | 76 | 43.7 Ų | 43.7 | 46% | 0.461 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 127.5 | 169 | -179.9 | 0 | 0 | 0 | 0 | 108.3 | Y359 Q360 A362 V398 | Y359-V396 CarbonylContact C-O 3.46Å; Y359-V396 WeakPolarHBondContact CA-O 3.47Å; Q360-V396 PolarHBondContact N-O 2.89Å; Q360-V396 PolarHBondContact O-N 3.35Å; A362-V396 HydrophobicContact CB-CG2 4.32Å; V396-V398 WeakPolarHBondContact O-CG2 3.17Å; V396-V398 PolarHBondContact O-N 3.05Å |
| 397 | L | 96.5 | Very high | 94.6 | Very high | 85 Ų | 85 | 38.9 Ų | 38.9 | 45% | 0.445 | 20% | 0.201 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 123.9 | 176.2 | 178.1 | 64.1 | 0 | 0 | 0 | 109.6 | Y357 Y359 D399 | Y357-L397 HydrophobicContact CD1-CD1 3.78Å; Y357-L397 HydrophobicContact CG-CD1 4.41Å; Y359-L397 HydrophobicContact CD1-CB 4.08Å; Y359-L397 HydrophobicContact CD1-CD1 4.14Å; Y359-L397 HydrophobicContact CE1-CB 3.95Å; Y359-L397 HydrophobicContact CE1-CD1 3.76Å; Y359-L397 HydrophobicContact CE1-CG 4.43Å; L397-D399 WeakPolarHBondContact CD1-O 3.42Å |
| 398 | V | 95.2 | Very high | 94.8 | Very high | 42 Ų | 42 | 40.8 Ų | 40.8 | 26% | 0.255 | 21% | 0.211 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | -42 | -177.8 | -174.5 | 0 | 0 | 0 | 0 | 111.6 | G48 F346 L358 Q360 V396 | G48-V398 VanDerWaalsContact CA-CG1 3.42Å; G48-V398 VanDerWaalsContact O-CG1 3.26Å; G48-V398 WeakPolarHBondContact O-CG1 3.46Å; F346-V398 HydrophobicContact CE1-CG1 4.39Å; F346-V398 HydrophobicContact CE1-CG2 4.22Å; L358-V398 PolarHBondContact O-N 3.13Å; Q360-V398 HydrophobicContact CB-CG2 3.57Å; V396-V398 WeakPolarHBondContact O-CG2 3.17Å; V396-V398 PolarHBondContact O-N 3.05Å |
| 399 | D | 94.6 | Very high | 95 | Very high | 16 Ų | 16 | 37.6 Ų | 37.6 | 9% | 0.086 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 147.8 | 179.1 | -155.6 | 24.1 | 0 | 0 | 0 | 111.9 | K49 V50 L358 L397 | K49-D399 HydrophobicContact CD-CB 4.37Å; K49-D399 WeakPolarHBondContact CD-OD1 3.25Å; K49-D399 IonicContact NZ-OD1 3.71Å; K49-D399 PolarHBondContact NZ-OD1 2.96Å; V50-D399 PolarHBondContact N-OD2 3.07Å; L358-D399 HydrophobicContact CB-CB 3.99Å; L358-D399 PolarHBondContact N-O 3.13Å; L358-D399 PolarHBondContact O-N 2.78Å; L358-D399 VanDerWaalsContact O-N 3.15Å; L397-D399 WeakPolarHBondContact CD1-O 3.42Å |
| 400 | E | 93.1 | Very high | 95.1 | Very high | 80 Ų | 80 | 37.4 Ų | 37.4 | 37% | 0.374 | 20% | 0.197 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 114.1 | 174.8 | -179.1 | 170.7 | -163.9 | 0 | 0 | 108.4 | N355 Y357 | N355-E400 HydrophobicContact CB-CG 3.79Å; N355-E400 VanDerWaalsContact CB-OE1 3.28Å; N355-E400 WeakPolarHBondContact CB-OE1 3.38Å; N355-E400 PolarHBondContact ND2-OE1 3.06Å; Y357-E400 HydrophobicContact CD1-CB 4.3Å; Y357-E400 HydrophobicContact CD1-CG 4.03Å; Y357-E400 HydrophobicContact CE1-CB 4.41Å; Y357-E400 HydrophobicContact CE1-CG 3.73Å; Y357-E400 WeakPolarHBondContact CE1-OE1 3.34Å; Y357-E400 PolarHBondContact OH-OE1 3.43Å |
| 401 | Q | 91.3 | Very high | 95.3 | Very high | 26 Ų | 26 | 39.5 Ų | 39.5 | 12% | 0.121 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 119.9 | 175.2 | -66.6 | -163 | -42.1 | 0 | 0 | 110.2 | V50 N355 H356 N403 | V50-Q401 HydrophobicContact CB-CG 4.4Å; V50-Q401 VanDerWaalsContact CB-NE2 3.31Å; N355-Q401 CarbonylContact C-O 3.51Å; N355-Q401 VanDerWaalsContact CA-O 3.31Å; N355-Q401 WeakPolarHBondContact CA-O 3.34Å; N355-Q401 WeakPolarHBondContact CB-O 3.47Å; H356-Q401 HydrophobicContact CB-CB 4.21Å; H356-Q401 PolarHBondContact N-O 3.3Å; H356-Q401 PolarHBondContact O-N 2.7Å; Q401-N403 PolarHBondContact O-N 3.01Å |
| 402 | E | 91.5 | Very high | 95.5 | Very high | 73 Ų | 73 | 35.6 Ų | 35.6 | 34% | 0.341 | 18% | 0.181 | S | C | . | . | trans | -65 | 128.2 | -178.5 | -60.4 | -172 | 137.3 | 0 | 0 | 112.3 | N355 Q776 | N355-E402 WeakPolarHBondContact OD1-CA 3.39Å; E402-Q776 VanDerWaalsContact CB-NE2 3.27Å; E402-Q776 VanDerWaalsContact CD-CD 3.41Å; E402-Q776 WeakPolarHBondContact OE1-CG 3.05Å; E402-Q776 PolarHBondContact OE1-NE2 2.95Å; E402-Q776 VanDerWaalsContact OE2-CG 3.32Å; E402-Q776 WeakPolarHBondContact OE2-CG 3.4Å; E402-Q776 PolarHBondContact OE2-NE2 3.22Å | ||
| 403 | N | 92.6 | Very high | 95.4 | Very high | 1 Ų | 1 | 33.6 Ų | 33.6 | 1% | 0.005 | 17% | 0.174 | C | C | . | . | trans | -135.5 | 126.5 | 179.1 | 177.7 | 14 | 0 | 0 | 0 | 110.4 | T12 G13 G354 N355 H356 Q401 S405 R436 | T12-N403 WeakPolarHBondContact CB-OD1 3.38Å; T12-N403 PolarHBondContact O-OD1 3.4Å; T12-N403 PolarHBondContact OG1-OD1 3.1Å; G13-N403 PolarHBondContact N-OD1 3.07Å; G354-N403 VanDerWaalsContact O-CB 3.28Å; G354-N403 WeakPolarHBondContact O-CB 3.32Å; G354-N403 PolarHBondContact O-ND2 3.37Å; N355-N403 PolarHBondContact OD1-N 3.08Å; N355-N403 PolarHBondContact OD1-O 3.14Å; H356-N403 PolarHBondContact CE1-ND2 2.65Å; H356-N403 PolarHBondContact NE2-ND2 3.36Å; Q401-N403 PolarHBondContact O-N 3.01Å; N403-S405 WeakPolarHBondContact OD1-CB 3.29Å; N403-S405 PolarHBondContact OD1-N 2.67Å; N403-R436 PolarHBondContact O-NH1 2.9Å; N403-R436 PolarHBondContact O-NH2 2.8Å | ||
| 404 | L | 95.7 | Very high | 95.2 | Very high | 6 Ų | 6 | 30 Ų | 30 | 3% | 0.031 | 16% | 0.161 | C | C | . | . | trans | -85.8 | -8.9 | 178.1 | -69.5 | 165.2 | 0 | 0 | 0 | 113.2 | Q9 T12 P406 I407 V425 C427 L438 I1126 | Q9-L404 HydrophobicContact CG-CD1 4.16Å; T12-L404 PolarHBondContact OG1-N 3.23Å; L404-P406 CarbonylContact O-C 3.53Å; L404-P406 VanDerWaalsContact O-C 3.22Å; L404-I407 HydrophobicContact CB-CD1 4Å; L404-I407 HydrophobicContact CB-CG1 3.98Å; L404-I407 VanDerWaalsContact O-CG1 3.25Å; L404-I407 WeakPolarHBondContact O-CG1 3.1Å; L404-I407 PolarHBondContact O-N 3.12Å; L404-V425 HydrophobicContact CD2-CG1 4.45Å; L404-C427 VanDerWaalsContact O-CB 3.25Å; L404-C427 WeakPolarHBondContact O-CB 3.49Å; L404-L438 HydrophobicContact CD1-CD1 3.93Å; L404-L438 HydrophobicContact CD2-CD1 4.28Å; L404-L438 HydrophobicContact CD2-CD2 3.9Å; L404-I1126 HydrophobicContact CD1-CD1 4.42Å | ||
| 405 | S | 96.8 | Very high | 95 | Very high | 7 Ų | 7 | 30.1 Ų | 30.1 | 5% | 0.049 | 16% | 0.161 | C | C | . | . | trans | -72.9 | 130.8 | -179.6 | -174.3 | 0 | 0 | 0 | 0 | 111.3 | G354 N403 L1122 | G354-S405 PolarHBondContact N-O 3.02Å; N403-S405 WeakPolarHBondContact OD1-CB 3.29Å; N403-S405 PolarHBondContact OD1-N 2.67Å; S405-L1122 PolarHBondContact OG-O 2.92Å | ||
| 406 | P | 97.6 | Very high | 94.3 | Very high | 7 Ų | 7 | 31.2 Ų | 31.2 | 5% | 0.045 | 17% | 0.17 | C | C | . | . | S | Bend | cis | -89.9 | 132.8 | -4.2 | 32.5 | -28.9 | 0 | 0 | 0 | 112.5 | F353 L404 M408 C427 G428 L1122 | F353-P406 HydrophobicContact CD1-CB 4.07Å; F353-P406 VanDerWaalsContact CD1-CD 3.46Å; F353-P406 HydrophobicContact CD1-CG 3.74Å; F353-P406 HydrophobicContact CE1-CB 4.19Å; F353-P406 HydrophobicContact CE1-CG 4.18Å; F353-P406 HydrophobicContact CG-CG 4.32Å; L404-P406 CarbonylContact O-C 3.53Å; L404-P406 VanDerWaalsContact O-C 3.22Å; P406-M408 HydrophobicContact CB-SD 4.33Å; P406-M408 PolarHBondContact O-N 3.38Å; P406-C427 CarbonylContact O-C 3.52Å; P406-C427 WeakPolarHBondContact O-CA 3.4Å; P406-C427 WeakPolarHBondContact O-CB 2.87Å; P406-G428 WeakPolarHBondContact CG-O 3.22Å; P406-G428 PolarHBondContact O-N 2.85Å; P406-L1122 VanDerWaalsContact CA-O 3.22Å; P406-L1122 WeakPolarHBondContact CA-O 3.43Å; P406-L1122 HydrophobicContact CB-CD1 3.49Å; P406-L1122 VanDerWaalsContact CB-CD1 3.49Å; P406-L1122 HydrophobicContact CB-CG 4.35Å |
| 407 | I | 98.1 | Very high | 93.5 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 113.3 | 169.3 | -60.7 | 174.3 | 0 | 0 | 0 | 108.8 | L404 V425 C427 L1102 T1120 T1121 I1126 | L404-I407 HydrophobicContact CB-CD1 4Å; L404-I407 HydrophobicContact CB-CG1 3.98Å; L404-I407 VanDerWaalsContact O-CG1 3.25Å; L404-I407 WeakPolarHBondContact O-CG1 3.1Å; L404-I407 PolarHBondContact O-N 3.12Å; I407-V425 HydrophobicContact CB-CG1 4.24Å; I407-V425 HydrophobicContact CD1-CG1 4.14Å; I407-V425 HydrophobicContact CG1-CG1 3.78Å; I407-V425 HydrophobicContact CG2-CG1 3.68Å; I407-C427 HydrophobicContact CG1-CB 4.43Å; I407-L1102 VanDerWaalsContact O-CD1 3.3Å; I407-L1102 WeakPolarHBondContact O-CD1 3.46Å; I407-T1120 HydrophobicContact CG2-CG2 4.49Å; I407-T1120 WeakPolarHBondContact CG2-OG1 3.37Å; I407-T1121 WeakPolarHBondContact CB-O 3.47Å; I407-I1126 HydrophobicContact CD1-CG1 4.36Å |
| 408 | M | 97.2 | Very high | 92.5 | Very high | 42 Ų | 42 | 32.7 Ų | 32.7 | 21% | 0.207 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | -37.2 | -179.1 | -63.3 | -56.6 | -54.7 | 0 | 0 | 112.6 | P406 S426 T784 P785 L1102 L1122 | P406-M408 HydrophobicContact CB-SD 4.33Å; P406-M408 PolarHBondContact O-N 3.38Å; M408-S426 PolarHBondContact N-O 2.99Å; M408-T784 HydrophobicContact CG-CG2 4.33Å; M408-P785 WeakPolarHBondContact CB-O 3.41Å; M408-P785 WeakPolarHBondContact CG-O 3.5Å; M408-L1102 HydrophobicContact CE-CD1 4.35Å; M408-L1102 HydrophobicContact SD-CD1 4.26Å; M408-L1122 HydrophobicContact SD-CD1 4.44Å |
| 409 | S | 96.2 | Very high | 91.7 | Very high | 14 Ų | 14 | 36 Ų | 36 | 10% | 0.098 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.6 | 150.1 | 178.7 | -159.7 | 0 | 0 | 0 | 0 | 110.1 | S426 | S409-S426 VanDerWaalsContact CB-OG 3.28Å; S409-S426 WeakPolarHBondContact CB-OG 3.42Å; S409-S426 PolarHBondContact N-O 3.41Å; S409-S426 PolarHBondContact N-OG 2.74Å; S409-S426 PolarHBondContact O-N 3.48Å; S409-S426 PolarHBondContact O-OG 3.37Å |
| 410 | C | 97.4 | Very high | 91.2 | Very high | 4 Ų | 4 | 36.3 Ų | 36.3 | 3% | 0.027 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 142.2 | 176.5 | -178 | 0 | 0 | 0 | 0 | 109.8 | Y424 V425 S1103 T1120 | C410-Y424 CarbonylContact C-O 3.42Å; C410-Y424 VanDerWaalsContact CA-O 3.26Å; C410-Y424 WeakPolarHBondContact CA-O 3.48Å; C410-V425 HydrophobicContact CB-CG2 4.42Å; C410-S1103 WeakPolarHBondContact CB-OG 3.43Å; C410-T1120 HydrophobicContact CB-CG2 3.58Å |
| 411 | Q | 97 | Very high | 91 | Very high | 61 Ų | 61 | 33.9 Ų | 33.9 | 29% | 0.285 | 18% | 0.184 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 132.3 | 167.9 | -68.9 | -69.3 | -26 | 0 | 0 | 109.3 | Y424 F788 I790 | Q411-Y424 PolarHBondContact N-O 2.89Å; Q411-Y424 PolarHBondContact O-N 3.14Å; Q411-F788 HydrophobicContact CB-CE2 3.68Å; Q411-F788 HydrophobicContact CB-CZ 3.58Å; Q411-F788 HydrophobicContact CG-CD2 4.33Å; Q411-F788 HydrophobicContact CG-CE1 4.37Å; Q411-F788 HydrophobicContact CG-CE2 3.5Å; Q411-F788 VanDerWaalsContact CG-CE2 3.5Å; Q411-F788 HydrophobicContact CG-CZ 3.52Å; Q411-I790 HydrophobicContact CB-CD1 4.05Å; Q411-I790 HydrophobicContact CG-CD1 4.4Å |
| 412 | I | 96.6 | Very high | 91 | Very high | 8 Ų | 8 | 32.7 Ų | 32.7 | 4% | 0.041 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 113.9 | 177.5 | -51.8 | -179.7 | 0 | 0 | 0 | 107.6 | P421 Q422 L423 Q1105 T1107 L1109 V1118 | I412-P421 HydrophobicContact CG2-CB 3.77Å; I412-Q422 WeakPolarHBondContact CA-O 3.32Å; I412-L423 HydrophobicContact CD1-CD2 4.47Å; I412-L423 HydrophobicContact CD1-CG 4.28Å; I412-L423 HydrophobicContact CG1-CG 4.06Å; I412-Q1105 PolarHBondContact O-NE2 3.09Å; I412-T1107 HydrophobicContact CB-CG2 4.01Å; I412-T1107 HydrophobicContact CD1-CG2 3.73Å; I412-T1107 HydrophobicContact CG1-CG2 4.41Å; I412-T1107 HydrophobicContact CG2-CG2 3.93Å; I412-L1109 HydrophobicContact CD1-CD2 4.24Å; I412-L1109 HydrophobicContact CG2-CD2 4.49Å; I412-V1118 HydrophobicContact CD1-CB 3.64Å; I412-V1118 HydrophobicContact CD1-CG1 3.55Å; I412-V1118 HydrophobicContact CD1-CG2 3.76Å |
| 413 | A | 93.7 | Very high | 91.2 | Very high | 22 Ų | 22 | 29.2 Ų | 29.2 | 18% | 0.182 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154 | 152.8 | -177.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | L415 Q422 I790 | A413-L415 HydrophobicContact CB-CD2 3.98Å; A413-L415 HydrophobicContact CB-CG 4.01Å; A413-L415 PolarHBondContact O-N 3.17Å; A413-Q422 PolarHBondContact N-O 3.41Å; A413-Q422 VanDerWaalsContact N-O 3.12Å; A413-Q422 PolarHBondContact O-N 3.27Å; A413-Q422 VanDerWaalsContact O-O 3.14Å; A413-Q422 PolarHBondContact O-OE1 2.76Å; A413-I790 HydrophobicContact CB-CD1 3.89Å |
| 414 | D | 90.5 | Very high | 91.4 | Very high | 52 Ų | 52 | 29.3 Ų | 29.3 | 28% | 0.278 | 16% | 0.163 | S | C | . | . | trans | -93.6 | 82.6 | 170.1 | -173.6 | 19.5 | 0 | 0 | 0 | 109.2 | N417 E418 D419 Q422 | D414-N417 WeakPolarHBondContact OD1-CA 3.44Å; D414-N417 PolarHBondContact OD1-N 3.28Å; D414-N417 WeakPolarHBondContact OD2-CA 3.44Å; D414-E418 PolarHBondContact OD1-N 2.86Å; D414-E418 PolarHBondContact OD2-N 2.97Å; D414-D419 PolarHBondContact OD2-N 2.93Å; D414-Q422 PolarHBondContact OD1-NE2 2.8Å | ||
| 415 | L | 89.3 | Confident | 91.5 | Very high | 8 Ų | 8 | 29 Ų | 29 | 4% | 0.042 | 16% | 0.161 | C | C | . | . | S | Bend | trans | -88.9 | -17.9 | 178.3 | -50 | 172.7 | 0 | 0 | 0 | 111.5 | A413 Q422 Y424 I790 N795 L797 P871 | A413-L415 HydrophobicContact CB-CD2 3.98Å; A413-L415 HydrophobicContact CB-CG 4.01Å; A413-L415 PolarHBondContact O-N 3.17Å; L415-Q422 VanDerWaalsContact N-OE1 3.1Å; L415-Y424 HydrophobicContact CB-CE2 4.05Å; L415-Y424 WeakPolarHBondContact CB-OH 3.49Å; L415-Y424 HydrophobicContact CD1-CD1 4.41Å; L415-Y424 HydrophobicContact CD1-CD2 3.82Å; L415-Y424 HydrophobicContact CD1-CE1 4.09Å; L415-Y424 HydrophobicContact CD1-CE2 3.42Å; L415-Y424 VanDerWaalsContact CD1-CE2 3.42Å; L415-Y424 HydrophobicContact CD1-CG 4.3Å; L415-Y424 HydrophobicContact CG-CD2 4.36Å; L415-Y424 HydrophobicContact CG-CE2 3.63Å; L415-I790 HydrophobicContact CD2-CD1 4.46Å; L415-I790 HydrophobicContact CD2-CG2 3.91Å; L415-N795 HydrophobicContact CB-CB 4.31Å; L415-N795 HydrophobicContact CD2-CB 3.8Å; L415-L797 HydrophobicContact CD1-CD2 4.03Å; L415-P871 HydrophobicContact CB-CG 4.38Å; L415-P871 HydrophobicContact CD1-CB 4.15Å; L415-P871 HydrophobicContact CD1-CG 3.87Å |
| 416 | A | 82.9 | Confident | 91.4 | Very high | 25 Ų | 25 | 28.7 Ų | 28.7 | 21% | 0.207 | 16% | 0.159 | C | C | . | . | S | Bend | trans | -92.1 | -7.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | E418 | A416-E418 HydrophobicContact CB-CG 3.81Š|
| 417 | N | 80.3 | Confident | 91.4 | Very high | 129 Ų | 129 | 28.4 Ų | 28.4 | 69% | 0.69 | 16% | 0.157 | S | C | * | . | trans | 59.7 | 44 | -175.4 | -49 | -63.8 | 0 | 0 | 0 | 112.8 | D414 | D414-N417 WeakPolarHBondContact OD1-CA 3.44Å; D414-N417 PolarHBondContact OD1-N 3.28Å; D414-N417 WeakPolarHBondContact OD2-CA 3.44Å | ||
| 418 | E | 75.1 | Confident | 91.3 | Very high | 63 Ų | 63 | 28.5 Ų | 28.5 | 29% | 0.294 | 16% | 0.158 | S | C | . | . | trans | -97.2 | 10.9 | -178.8 | -61.2 | 173.1 | -174 | 0 | 0 | 112.7 | D414 A416 T420 Q422 R439 | D414-E418 PolarHBondContact OD1-N 2.86Å; D414-E418 PolarHBondContact OD2-N 2.97Å; A416-E418 HydrophobicContact CB-CG 3.81Å; E418-T420 PolarHBondContact O-N 3.28Å; E418-Q422 PolarHBondContact OE2-NE2 2.94Å; E418-R439 IonicContact OE1-CZ 3.87Å; E418-R439 IonicContact OE1-NE 2.68Å; E418-R439 PolarHBondContact OE1-NE 3.32Å; E418-R439 IonicContact OE1-NH2 3.59Å; E418-R439 PolarHBondContact OE1-NH2 3.3Å; E418-R439 IonicContact OE2-NE 3.87Å; E418-R439 PolarHBondContact OE2-NE 2.85Å | ||
| 419 | D | 78.5 | Confident | 91.3 | Very high | 113 Ų | 113 | 31.9 Ų | 31.9 | 60% | 0.604 | 17% | 0.168 | S | C | * | . | S | Bend | trans | 63.6 | -40.8 | -170.5 | -65.7 | -41.2 | 0 | 0 | 0 | 114.3 | D414 P421 P1111 | D414-D419 PolarHBondContact OD2-N 2.93Å; D419-P421 WeakPolarHBondContact O-CD 3.37Å; D419-P1111 HydrophobicContact CB-CG 4.09Å; D419-P1111 WeakPolarHBondContact O-CG 3.42Å |
| 420 | T | 82.8 | Confident | 91.2 | Very high | 22 Ų | 22 | 31.6 Ų | 31.6 | 14% | 0.135 | 17% | 0.168 | C | C | . | . | S | Bend | trans | -84.3 | 118.8 | 172.5 | 52 | 0 | 0 | 0 | 0 | 110.1 | E418 Q422 R718 P1111 | E418-T420 PolarHBondContact O-N 3.28Å; T420-Q422 PolarHBondContact O-NE2 2.89Å; T420-R718 PolarHBondContact OG1-NH1 3.26Å; T420-P1111 HydrophobicContact CG2-CG 4.19Å |
| 421 | P | 89.6 | Confident | 91.1 | Very high | 28 Ų | 28 | 32.8 Ų | 32.8 | 18% | 0.182 | 18% | 0.175 | C | C | . | . | P | Polyproline II helix | trans | -58.6 | 140 | 178.8 | -26.1 | 36.5 | 0 | 0 | 0 | 112.6 | I412 D419 | I412-P421 HydrophobicContact CG2-CB 3.77Å; D419-P421 WeakPolarHBondContact O-CD 3.37Å |
| 422 | Q | 91.5 | Very high | 91.1 | Very high | 1 Ų | 1 | 32.2 Ų | 32.2 | 1% | 0.005 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 155.3 | 174.9 | -51.6 | 82.6 | 37.1 | 0 | 0 | 110.2 | I412 A413 D414 L415 E418 T420 Y424 V437 R439 | I412-Q422 WeakPolarHBondContact CA-O 3.32Å; A413-Q422 PolarHBondContact N-O 3.41Å; A413-Q422 VanDerWaalsContact N-O 3.12Å; A413-Q422 PolarHBondContact O-N 3.27Å; A413-Q422 VanDerWaalsContact O-O 3.14Å; A413-Q422 PolarHBondContact O-OE1 2.76Å; D414-Q422 PolarHBondContact OD1-NE2 2.8Å; L415-Q422 VanDerWaalsContact N-OE1 3.1Å; E418-Q422 PolarHBondContact OE2-NE2 2.94Å; T420-Q422 PolarHBondContact O-NE2 2.89Å; Q422-Y424 HydrophobicContact CB-CE2 3.87Å; Q422-Y424 PolarHBondContact OE1-OH 3.01Å; Q422-V437 HydrophobicContact CB-CG1 4.02Å; Q422-V437 HydrophobicContact CG-CG1 4.44Å; Q422-R439 HydrophobicContact CG-CG 4.13Å |
| 423 | L | 95.4 | Very high | 91.1 | Very high | 1 Ų | 1 | 31.9 Ų | 31.9 | 1% | 0.005 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 112.3 | 174.3 | -60.2 | 69.9 | 0 | 0 | 0 | 108.5 | I412 V425 L438 F774 I1126 | I412-L423 HydrophobicContact CD1-CD2 4.47Å; I412-L423 HydrophobicContact CD1-CG 4.28Å; I412-L423 HydrophobicContact CG1-CG 4.06Å; L423-V425 HydrophobicContact CB-CG2 4.25Å; L423-L438 HydrophobicContact CB-CB 4.05Å; L423-L438 HydrophobicContact CB-CD1 4.32Å; L423-L438 HydrophobicContact CB-CG 4.35Å; L423-L438 PolarHBondContact N-O 3.4Å; L423-L438 PolarHBondContact O-N 2.86Å; L423-F774 HydrophobicContact CD1-CE1 3.89Å; L423-F774 HydrophobicContact CD2-CE1 4.32Å; L423-F774 HydrophobicContact CD2-CZ 4.41Å; L423-I1126 HydrophobicContact CD2-CD1 3.84Å; L423-I1126 HydrophobicContact CD2-CG2 4.13Å |
| 424 | Y | 96.6 | Very high | 91.3 | Very high | 2 Ų | 2 | 31.6 Ų | 31.6 | 1% | 0.008 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 111.1 | 173.4 | -65.1 | -84.7 | 0 | 0 | 0 | 108.6 | C410 Q411 L415 Q422 V437 F788 L797 P871 | C410-Y424 CarbonylContact C-O 3.42Å; C410-Y424 VanDerWaalsContact CA-O 3.26Å; C410-Y424 WeakPolarHBondContact CA-O 3.48Å; Q411-Y424 PolarHBondContact N-O 2.89Å; Q411-Y424 PolarHBondContact O-N 3.14Å; L415-Y424 HydrophobicContact CB-CE2 4.05Å; L415-Y424 WeakPolarHBondContact CB-OH 3.49Å; L415-Y424 HydrophobicContact CD1-CD1 4.41Å; L415-Y424 HydrophobicContact CD1-CD2 3.82Å; L415-Y424 HydrophobicContact CD1-CE1 4.09Å; L415-Y424 HydrophobicContact CD1-CE2 3.42Å; L415-Y424 VanDerWaalsContact CD1-CE2 3.42Å; L415-Y424 HydrophobicContact CD1-CG 4.3Å; L415-Y424 HydrophobicContact CG-CD2 4.36Å; L415-Y424 HydrophobicContact CG-CE2 3.63Å; Q422-Y424 HydrophobicContact CB-CE2 3.87Å; Q422-Y424 PolarHBondContact OE1-OH 3.01Å; Y424-V437 HydrophobicContact CD1-CB 4.47Å; Y424-V437 HydrophobicContact CD1-CG1 4.29Å; Y424-V437 HydrophobicContact CD1-CG2 3.73Å; Y424-V437 HydrophobicContact CE1-CB 4.23Å; Y424-V437 HydrophobicContact CE1-CG1 3.74Å; Y424-V437 HydrophobicContact CE1-CG2 3.54Å; Y424-F788 VanDerWaalsContact O-CZ 3.29Å; Y424-F788 WeakPolarHBondContact O-CZ 3.35Å; Y424-L797 HydrophobicContact CD1-CD1 4.26Å; Y424-P871 HydrophobicContact CD1-CB 4.1Å; Y424-P871 HydrophobicContact CE1-CB 3.56Å |
| 425 | V | 97.4 | Very high | 91.6 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 117.6 | -171.1 | -179.9 | 0 | 0 | 0 | 0 | 109.4 | L404 I407 C410 L423 C427 L435 R436 L438 | L404-V425 HydrophobicContact CD2-CG1 4.45Å; I407-V425 HydrophobicContact CB-CG1 4.24Å; I407-V425 HydrophobicContact CD1-CG1 4.14Å; I407-V425 HydrophobicContact CG1-CG1 3.78Å; I407-V425 HydrophobicContact CG2-CG1 3.68Å; C410-V425 HydrophobicContact CB-CG2 4.42Å; L423-V425 HydrophobicContact CB-CG2 4.25Å; V425-C427 HydrophobicContact CG1-CB 4.09Å; V425-L435 CarbonylContact O-C 3.48Å; V425-L435 WeakPolarHBondContact O-CA 3.29Å; V425-R436 PolarHBondContact N-O 3.12Å; V425-R436 PolarHBondContact O-N 2.97Å; V425-L438 HydrophobicContact CG2-CD1 3.7Å; V425-L438 HydrophobicContact CG2-CG 4.01Å |
| 426 | S | 96.4 | Very high | 91.9 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 112.7 | 169.6 | 67.7 | 0 | 0 | 0 | 0 | 109.1 | M408 S409 | M408-S426 PolarHBondContact N-O 2.99Å; S409-S426 VanDerWaalsContact CB-OG 3.28Å; S409-S426 WeakPolarHBondContact CB-OG 3.42Å; S409-S426 PolarHBondContact N-O 3.41Å; S409-S426 PolarHBondContact N-OG 2.74Å; S409-S426 PolarHBondContact O-N 3.48Å; S409-S426 PolarHBondContact O-OG 3.37Å |
| 427 | C | 96.7 | Very high | 92.4 | Very high | 1 Ų | 1 | 28 Ų | 28 | 1% | 0.007 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 167.7 | -173.1 | 57.2 | 0 | 0 | 0 | 0 | 113.5 | L404 P406 I407 V425 S433 T434 | L404-C427 VanDerWaalsContact O-CB 3.25Å; L404-C427 WeakPolarHBondContact O-CB 3.49Å; P406-C427 CarbonylContact O-C 3.52Å; P406-C427 WeakPolarHBondContact O-CA 3.4Å; P406-C427 WeakPolarHBondContact O-CB 2.87Å; I407-C427 HydrophobicContact CG1-CB 4.43Å; V425-C427 HydrophobicContact CG1-CB 4.09Å; C427-S433 CarbonylContact O-C 3.57Å; C427-S433 WeakPolarHBondContact O-CA 3.13Å; C427-T434 PolarHBondContact N-O 3.01Å; C427-T434 PolarHBondContact O-N 3.42Å |
| 428 | G | 95.8 | Very high | 93 | Very high | 2 Ų | 2 | 22 Ų | 22 | 2% | 0.021 | 11% | 0.11 | C | C | . | . | trans | 103.4 | -178.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | P406 | P406-G428 WeakPolarHBondContact CG-O 3.22Å; P406-G428 PolarHBondContact O-N 2.85Å | ||
| 429 | R | 96.6 | Very high | 93.7 | Very high | 113 Ų | 113 | 21.5 Ų | 21.5 | 43% | 0.426 | 11% | 0.105 | S | C | . | . | S | Bend | trans | -135.5 | 127.7 | -172.4 | 177.2 | 58.9 | 169.6 | 158.3 | -2.8 | 110.3 | F353 R432 S433 D803 | F353-R429 HydrophobicContact CB-CB 3.93Å; F353-R429 HydrophobicContact CD2-CB 4.37Å; F353-R429 HydrophobicContact CD2-CG 4.31Å; F353-R429 HydrophobicContact CG-CB 4.31Å; R429-R432 PolarHBondContact O-N 2.98Å; R429-S433 VanDerWaalsContact C-OG 3.31Å; R429-S433 PolarHBondContact N-OG 3.04Å; R429-D803 IonicContact NH1-OD1 3.62Å; R429-D803 PolarHBondContact NH1-OD1 3.39Å |
| 430 | G | 95.6 | Very high | 94 | Very high | 8 Ų | 8 | 16.6 Ų | 16.6 | 8% | 0.082 | 8% | 0.079 | C | C | . | . | G | 310 helix | trans | 56.3 | -132.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | R432 S433 Q782 Y783 T784 D803 | G430-R432 PolarHBondContact O-N 2.82Å; G430-S433 PolarHBondContact N-OG 2.81Å; G430-S433 VanDerWaalsContact O-CB 3.29Å; G430-S433 WeakPolarHBondContact O-CB 3.15Å; G430-S433 PolarHBondContact O-N 2.81Å; G430-S433 PolarHBondContact O-OG 2.84Å; G430-Q782 CarbonylContact C-O 3.57Å; G430-Y783 CarbonylContact O-C 3.32Å; G430-T784 PolarHBondContact N-OG1 2.87Å; G430-D803 VanDerWaalsContact CA-OD2 3.31Å; G430-D803 WeakPolarHBondContact CA-OD2 3.34Å |
| 431 | P | 95.6 | Very high | 94.1 | Very high | 29 Ų | 29 | 15.6 Ų | 15.6 | 19% | 0.188 | 7% | 0.073 | C | C | . | . | G | 310 helix | trans | -71.2 | -8.9 | -177.4 | 32.2 | -37.9 | 0 | 0 | 0 | 114 | S433 Q782 E849 A854 | P431-S433 VanDerWaalsContact C-N 3.34Å; P431-Q782 WeakPolarHBondContact CA-O 3.26Å; P431-E849 HydrophobicContact CB-CB 3.82Å; P431-E849 HydrophobicContact CG-CB 4.15Å; P431-E849 WeakPolarHBondContact CG-O 3.49Å; P431-A854 HydrophobicContact CG-CB 3.94Å |
| 432 | R | 96.4 | Very high | 93.9 | Very high | 49 Ų | 49 | 14.4 Ų | 14.4 | 19% | 0.185 | 7% | 0.065 | C | C | . | . | G | 310 helix | trans | -98.3 | 16.1 | 175.8 | -65 | 176.5 | 65.2 | -129.8 | -2.1 | 112.2 | P334 F353 N355 Y357 R429 G430 A850 | P334-R432 VanDerWaalsContact CB-CZ 3.49Å; F353-R432 PolarHBondContact O-NH1 3.18Å; N355-R432 PolarHBondContact O-NH2 3.35Å; N355-R432 VanDerWaalsContact O-NH2 3.07Å; Y357-R432 VanDerWaalsContact CE2-NH2 3.3Å; Y357-R432 PolarHBondContact OH-NH2 3.13Å; R429-R432 PolarHBondContact O-N 2.98Å; G430-R432 PolarHBondContact O-N 2.82Å; R432-A850 VanDerWaalsContact CD-O 3.27Å; R432-A850 WeakPolarHBondContact CD-O 3.37Å; R432-A850 HydrophobicContact CG-CB 4.35Å; R432-A850 VanDerWaalsContact CG-O 3.22Å; R432-A850 WeakPolarHBondContact CG-O 3.47Å |
| 433 | S | 97.3 | Very high | 93.6 | Very high | 1 Ų | 1 | 17.2 Ų | 17.2 | 1% | 0.007 | 8% | 0.078 | C | C | . | . | trans | -73.7 | 147.3 | 177.5 | -58.5 | 0 | 0 | 0 | 0 | 111.3 | C427 R429 G430 P431 L781 Y783 T784 | C427-S433 CarbonylContact O-C 3.57Å; C427-S433 WeakPolarHBondContact O-CA 3.13Å; R429-S433 VanDerWaalsContact C-OG 3.31Å; R429-S433 PolarHBondContact N-OG 3.04Å; G430-S433 PolarHBondContact N-OG 2.81Å; G430-S433 VanDerWaalsContact O-CB 3.29Å; G430-S433 WeakPolarHBondContact O-CB 3.15Å; G430-S433 PolarHBondContact O-N 2.81Å; G430-S433 PolarHBondContact O-OG 2.84Å; P431-S433 VanDerWaalsContact C-N 3.34Å; S433-L781 WeakPolarHBondContact O-CB 3.24Å; S433-L781 PolarHBondContact O-N 3Å; S433-Y783 VanDerWaalsContact CB-O 3.3Å; S433-Y783 WeakPolarHBondContact CB-O 3.42Å; S433-Y783 PolarHBondContact OG-O 2.8Å; S433-T784 WeakPolarHBondContact OG-CA 3.22Å | ||
| 434 | T | 97.1 | Very high | 93.2 | Very high | 16 Ų | 16 | 18.1 Ų | 18.1 | 10% | 0.098 | 8% | 0.084 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 145.7 | -178.9 | 52.3 | 0 | 0 | 0 | 0 | 110.9 | C427 R436 A778 F779 | C427-T434 PolarHBondContact N-O 3.01Å; C427-T434 PolarHBondContact O-N 3.42Å; T434-R436 PolarHBondContact OG1-NE 2.88Å; T434-A778 HydrophobicContact CG2-CB 4.22Å; T434-F779 CarbonylContact C-O 3.56Å; T434-F779 WeakPolarHBondContact CA-O 3.34Å |
| 435 | L | 97.1 | Very high | 92.7 | Very high | 1 Ų | 1 | 19.2 Ų | 19.2 | 1% | 0.005 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 115.8 | 158.8 | 172.9 | 70.2 | 0 | 0 | 0 | 107.4 | V425 F779 L781 L797 L799 V869 | V425-L435 CarbonylContact O-C 3.48Å; V425-L435 WeakPolarHBondContact O-CA 3.29Å; L435-F779 HydrophobicContact CB-CB 4.37Å; L435-F779 HydrophobicContact CD2-CD2 4.15Å; L435-F779 HydrophobicContact CG-CD2 4.34Å; L435-F779 PolarHBondContact N-O 2.92Å; L435-F779 WeakPolarHBondContact O-CB 3.19Å; L435-F779 PolarHBondContact O-N 2.86Å; L435-L781 HydrophobicContact CB-CD1 4.48Å; L435-L797 HydrophobicContact CD1-CD1 4.31Å; L435-L797 HydrophobicContact CD2-CD1 3.62Å; L435-L799 HydrophobicContact CB-CD2 4.49Å; L435-L799 HydrophobicContact CD1-CD2 4.34Å; L435-L799 HydrophobicContact CD2-CD2 4.42Å; L435-V869 HydrophobicContact CD2-CG1 4.32Å |
| 436 | R | 95.4 | Very high | 92.2 | Very high | 8 Ų | 8 | 24 Ų | 24 | 3% | 0.03 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 136.7 | 179.9 | -58.4 | -166.9 | -173.5 | -179.8 | 1.5 | 111.5 | N355 N403 V425 T434 L438 Q776 V777 A778 | N355-R436 PolarHBondContact OD1-NH1 2.96Å; N355-R436 PolarHBondContact OD1-NH2 3.25Å; N403-R436 PolarHBondContact O-NH1 2.9Å; N403-R436 PolarHBondContact O-NH2 2.8Å; V425-R436 PolarHBondContact N-O 3.12Å; V425-R436 PolarHBondContact O-N 2.97Å; T434-R436 PolarHBondContact OG1-NE 2.88Å; R436-L438 HydrophobicContact CB-CD2 4.25Å; R436-Q776 VanDerWaalsContact NH1-NE2 3.14Å; R436-V777 CarbonylContact C-O 3.43Å; R436-V777 VanDerWaalsContact CA-O 3.24Å; R436-V777 WeakPolarHBondContact CA-O 3.23Å; R436-A778 HydrophobicContact CG-CB 3.95Å |
| 437 | V | 94 | Very high | 91.7 | Very high | 2 Ų | 2 | 28.5 Ų | 28.5 | 1% | 0.012 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 112.6 | 170.9 | -173.2 | 0 | 0 | 0 | 0 | 107.6 | Q422 Y424 Q776 V777 F779 | Q422-V437 HydrophobicContact CB-CG1 4.02Å; Q422-V437 HydrophobicContact CG-CG1 4.44Å; Y424-V437 HydrophobicContact CD1-CB 4.47Å; Y424-V437 HydrophobicContact CD1-CG1 4.29Å; Y424-V437 HydrophobicContact CD1-CG2 3.73Å; Y424-V437 HydrophobicContact CE1-CB 4.23Å; Y424-V437 HydrophobicContact CE1-CG1 3.74Å; Y424-V437 HydrophobicContact CE1-CG2 3.54Å; V437-Q776 WeakPolarHBondContact O-CA 3.33Å; V437-V777 PolarHBondContact N-O 2.84Å; V437-V777 PolarHBondContact O-N 2.91Å; V437-F779 HydrophobicContact CG2-CD2 4.42Å; V437-F779 HydrophobicContact CG2-CE2 3.66Å; V437-F779 HydrophobicContact CG2-CZ 4.34Å |
| 438 | L | 92.6 | Very high | 91.3 | Very high | 2 Ų | 2 | 30.6 Ų | 30.6 | 1% | 0.01 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 122.5 | 176.9 | -42.2 | 178.9 | 0 | 0 | 0 | 109.5 | L404 L423 V425 R436 F774 N775 Q776 I1126 | L404-L438 HydrophobicContact CD1-CD1 3.93Å; L404-L438 HydrophobicContact CD2-CD1 4.28Å; L404-L438 HydrophobicContact CD2-CD2 3.9Å; L423-L438 HydrophobicContact CB-CB 4.05Å; L423-L438 HydrophobicContact CB-CD1 4.32Å; L423-L438 HydrophobicContact CB-CG 4.35Å; L423-L438 PolarHBondContact N-O 3.4Å; L423-L438 PolarHBondContact O-N 2.86Å; V425-L438 HydrophobicContact CG2-CD1 3.7Å; V425-L438 HydrophobicContact CG2-CG 4.01Å; R436-L438 HydrophobicContact CB-CD2 4.25Å; L438-F774 HydrophobicContact CB-CB 4.32Å; L438-F774 HydrophobicContact CB-CD1 3.95Å; L438-F774 HydrophobicContact CB-CG 4.4Å; L438-N775 CarbonylContact C-O 3.45Å; L438-N775 WeakPolarHBondContact CA-O 2.99Å; L438-Q776 HydrophobicContact CD2-CB 3.47Å; L438-Q776 VanDerWaalsContact CD2-CB 3.47Å; L438-I1126 HydrophobicContact CD1-CD1 3.5Å; L438-I1126 VanDerWaalsContact CD1-CD1 3.5Å |
| 439 | R | 88.6 | Confident | 91 | Very high | 52 Ų | 52 | 34 Ų | 34 | 20% | 0.196 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 128.8 | 169.4 | -66.5 | -176.4 | -179.6 | 83.8 | -2.8 | 107.9 | E418 Q422 G441 F774 N775 | E418-R439 IonicContact OE1-CZ 3.87Å; E418-R439 IonicContact OE1-NE 2.68Å; E418-R439 PolarHBondContact OE1-NE 3.32Å; E418-R439 IonicContact OE1-NH2 3.59Å; E418-R439 PolarHBondContact OE1-NH2 3.3Å; E418-R439 IonicContact OE2-NE 3.87Å; E418-R439 PolarHBondContact OE2-NE 2.85Å; Q422-R439 HydrophobicContact CG-CG 4.13Å; R439-G441 PolarHBondContact O-N 3.48Å; R439-F774 WeakPolarHBondContact O-CA 3.06Å; R439-N775 PolarHBondContact N-O 3.06Å; R439-N775 PolarHBondContact O-N 3.04Å |
| 440 | H | 85.8 | Confident | 90.6 | Very high | 11 Ų | 11 | 31.8 Ų | 31.8 | 5% | 0.051 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.6 | 122.4 | 168.6 | 176.8 | -107.5 | 0 | 0 | 0 | 109.2 | R718 P733 V773 F774 F1217 | H440-R718 PolarHBondContact O-NH1 2.84Å; H440-R718 PolarHBondContact O-NH2 3.4Å; H440-P733 WeakPolarHBondContact CE1-CD 3.15Å; H440-P733 WeakPolarHBondContact ND1-CD 3.46Å; H440-P733 VanDerWaalsContact ND1-CG 3.32Å; H440-P733 WeakPolarHBondContact ND1-CG 3.41Å; H440-P733 WeakPolarHBondContact O-CG 3.17Å; H440-V773 PolarHBondContact CD2-O 3.19Å; H440-F774 HydrophobicContact CB-CD1 4.24Å; H440-F774 HydrophobicContact CB-CE1 4.09Å; H440-F1217 HydrophobicContact CB-CD1 3.8Å; H440-F1217 HydrophobicContact CB-CD2 4.15Å; H440-F1217 HydrophobicContact CB-CE1 3.49Å; H440-F1217 VanDerWaalsContact CB-CE1 3.49Å; H440-F1217 HydrophobicContact CB-CE2 3.89Å; H440-F1217 HydrophobicContact CB-CG 4.12Å; H440-F1217 HydrophobicContact CB-CZ 3.55Å; H440-F1217 AromaticContact CD2-CD1 3.82Å; H440-F1217 AromaticContact CD2-CD2 3.51Å; H440-F1217 AromaticContact CD2-CG 3.36Å; H440-F1217 WeakPolarHBondContact CD2-CG 3.41Å; H440-F1217 WeakPolarHBondContact CE1-CB 3.31Å; H440-F1217 AromaticContact CE1-CD1 3.62Å; H440-F1217 AromaticContact CE1-CG 3.53Å; H440-F1217 AromaticContact CG-CD1 3.27Å; H440-F1217 AromaticContact CG-CD2 3.69Å; H440-F1217 AromaticContact CG-CE1 3.56Å; H440-F1217 AromaticContact CG-CE2 3.96Å; H440-F1217 AromaticContact CG-CG 3.35Å; H440-F1217 AromaticContact CG-CZ 3.9Å; H440-F1217 AromaticContact ND1-CD1 3.15Å; H440-F1217 WeakPolarHBondContact ND1-CD1 2.79Å; H440-F1217 AromaticContact ND1-CE1 3.74Å; H440-F1217 AromaticContact ND1-CG 3.47Å; H440-F1217 WeakPolarHBondContact ND1-CG 3.21Å; H440-F1217 VanDerWaalsContact NE2-CB 3.28Å; H440-F1217 WeakPolarHBondContact NE2-CB 3.41Å; H440-F1217 AromaticContact NE2-CG 3.52Å |
| 441 | G | 84.4 | Confident | 90.3 | Very high | 1 Ų | 1 | 38.2 Ų | 38.2 | 1% | 0.01 | 20% | 0.203 | C | C | . | . | S | Bend | trans | 148.7 | 160.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | R439 P733 V773 N775 | R439-G441 PolarHBondContact O-N 3.48Å; G441-P733 CarbonylContact C-O 3.54Å; G441-P733 WeakPolarHBondContact CA-O 3.36Å; G441-V773 PolarHBondContact N-O 3.43Å; G441-N775 PolarHBondContact O-N 3.07Å |
| 442 | L | 85.7 | Confident | 90 | Very high | 3 Ų | 3 | 37.4 Ų | 37.4 | 2% | 0.016 | 20% | 0.197 | C | C | . | . | B | Isolated β-bridge | trans | -64.5 | 138.8 | 175.7 | -69.2 | 168.3 | 0 | 0 | 0 | 110.5 | L721 Y723 T732 P733 L734 S735 K769 | L442-L721 HydrophobicContact CD1-CB 3.9Å; L442-L721 HydrophobicContact CD1-CD2 3.61Å; L442-L721 HydrophobicContact CD1-CG 4.38Å; L442-Y723 HydrophobicContact CD1-CE1 4.09Å; L442-T732 VanDerWaalsContact CD1-OG1 3.23Å; L442-T732 WeakPolarHBondContact CD1-OG1 3.42Å; L442-T732 WeakPolarHBondContact CG-OG1 3.32Å; L442-P733 PolarHBondContact N-O 2.88Å; L442-L734 HydrophobicContact CB-CD2 3.88Å; L442-L734 HydrophobicContact CD1-CD2 3.95Å; L442-L734 HydrophobicContact CG-CD2 4.5Å; L442-S735 WeakPolarHBondContact O-CB 3.35Å; L442-S735 PolarHBondContact O-N 3.32Å; L442-S735 PolarHBondContact O-OG 3.33Å; L442-K769 WeakPolarHBondContact CD2-O 3.43Å |
| 443 | E | 84.6 | Confident | 89.4 | Confident | 59 Ų | 59 | 40 Ų | 40 | 28% | 0.276 | 22% | 0.22 | S | C | . | . | trans | -64.4 | 135.9 | 170.6 | -172.6 | 177.7 | -176.6 | 0 | 0 | 109.8 | L767 K769 | E443-L767 WeakPolarHBondContact O-CD2 3.46Å; E443-K769 IonicContact OE1-NZ 3.33Å; E443-K769 WeakPolarHBondContact OE2-CD 3.28Å; E443-K769 WeakPolarHBondContact OE2-CE 3.48Å; E443-K769 IonicContact OE2-NZ 2.76Å; E443-K769 PolarHBondContact OE2-NZ 3.02Å | ||
| 444 | V | 86.8 | Confident | 88.9 | Confident | 21 Ų | 21 | 42.5 Ų | 42.5 | 13% | 0.127 | 25% | 0.247 | C | C | . | . | trans | -120.4 | 114.4 | -179.9 | -172.1 | 0 | 0 | 0 | 0 | 108.6 | L734 Y736 L765 L767 | V444-L734 HydrophobicContact CG2-CB 3.95Å; V444-L734 HydrophobicContact CG2-CD1 4.44Å; V444-L734 HydrophobicContact CG2-CD2 4.43Å; V444-L734 HydrophobicContact CG2-CG 4.5Å; V444-Y736 HydrophobicContact CB-CD2 3.95Å; V444-Y736 HydrophobicContact CB-CG 4.47Å; V444-Y736 HydrophobicContact CG1-CD2 4.05Å; V444-Y736 HydrophobicContact CG1-CE2 4.4Å; V444-Y736 HydrophobicContact CG1-CG 4.45Å; V444-Y736 HydrophobicContact CG2-CD2 4.33Å; V444-Y736 HydrophobicContact CG2-CG 4.42Å; V444-L765 HydrophobicContact CG1-CB 3.82Å; V444-L765 HydrophobicContact CG1-CD1 4.02Å; V444-L765 HydrophobicContact CG1-CD2 3.85Å; V444-L765 HydrophobicContact CG1-CG 4.1Å; V444-L767 HydrophobicContact CB-CD2 4.18Å; V444-L767 HydrophobicContact CG1-CD2 4.15Å; V444-L767 HydrophobicContact CG2-CD2 3.72Å | ||
| 445 | S | 86.6 | Confident | 88.5 | Confident | 25 Ų | 25 | 46.9 Ų | 46.9 | 18% | 0.175 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 121.6 | 173.3 | -59.1 | 0 | 0 | 0 | 0 | 109.4 | L765 A766 E768 | S445-L765 CarbonylContact O-C 3.49Å; S445-L765 WeakPolarHBondContact O-CA 3.4Å; S445-A766 PolarHBondContact N-O 3.42Å; S445-A766 PolarHBondContact O-N 3.24Å; S445-E768 WeakPolarHBondContact CB-OE1 3.43Å; S445-E768 PolarHBondContact OG-OE1 3.48Å |
| 446 | E | 86.4 | Confident | 88.3 | Confident | 101 Ų | 101 | 47 Ų | 47 | 47% | 0.472 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 113.1 | 173.3 | -67.1 | -174.3 | -167 | 0 | 0 | 110.4 | V449 Y736 R763 L765 | E446-V449 VanDerWaalsContact OE2-CG2 3.29Å; E446-V449 WeakPolarHBondContact OE2-CG2 3.5Å; E446-Y736 HydrophobicContact CG-CE2 3.95Å; E446-Y736 WeakPolarHBondContact OE1-CE2 3.42Å; E446-Y736 PolarHBondContact OE1-OH 3.31Å; E446-R763 IonicContact OE1-NH1 3.67Å; E446-R763 IonicContact OE2-NH1 3.77Å; E446-L765 HydrophobicContact CG-CD2 4Å |
| 447 | M | 87.2 | Confident | 88.1 | Confident | 93 Ų | 93 | 49.9 Ų | 49.9 | 46% | 0.458 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | -39.7 | 177.6 | -61.2 | -59.3 | -67.7 | 0 | 0 | 111.7 | C750 I764 A766 | M447-C750 HydrophobicContact CG-CB 4.46Å; M447-I764 HydrophobicContact CB-CB 4.29Å; M447-I764 HydrophobicContact CB-CG2 4.08Å; M447-I764 PolarHBondContact N-O 3.45Å; M447-A766 HydrophobicContact CG-CB 4.13Å; M447-A766 HydrophobicContact SD-CB 4.46Å |
| 448 | A | 87.3 | Confident | 88.1 | Confident | 46 Ų | 46 | 50 Ų | 50 | 38% | 0.38 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.5 | 146.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | R763 I764 | A448-R763 WeakPolarHBondContact O-CA 3.4Å; A448-I764 HydrophobicContact CB-CB 4.18Å; A448-I764 HydrophobicContact CB-CD1 4.09Å; A448-I764 HydrophobicContact CB-CG1 4.15Å; A448-I764 PolarHBondContact N-O 3.13Å; A448-I764 PolarHBondContact O-N 3.02Å |
| 449 | V | 89.2 | Confident | 88.2 | Confident | 72 Ų | 72 | 50 Ų | 50 | 44% | 0.436 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 129.1 | 173.3 | -177.9 | 0 | 0 | 0 | 0 | 108.7 | E446 L762 R763 | E446-V449 VanDerWaalsContact OE2-CG2 3.29Å; E446-V449 WeakPolarHBondContact OE2-CG2 3.5Å; V449-L762 WeakPolarHBondContact CA-O 3.43Å; V449-R763 HydrophobicContact CG1-CG 4.35Å; V449-R763 HydrophobicContact CG2-CG 4.36Å |
| 450 | S | 89.6 | Confident | 88.6 | Confident | 67 Ų | 67 | 48.6 Ų | 48.6 | 47% | 0.469 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 131.8 | 178.7 | -171.5 | 0 | 0 | 0 | 0 | 109.8 | T761 L762 | S450-T761 WeakPolarHBondContact O-CA 3.45Å; S450-L762 PolarHBondContact N-O 3.05Å; S450-L762 PolarHBondContact O-N 2.99Å |
| 451 | E | 89.1 | Confident | 89 | Confident | 143 Ų | 143 | 49.3 Ų | 49.3 | 67% | 0.668 | 29% | 0.288 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 131.7 | 175.5 | -163.8 | 176.8 | -177.4 | 0 | 0 | 109.9 | N760 | E451-N760 PolarHBondContact OE1-ND2 3.41Å |
| 452 | L | 88.8 | Confident | 89.4 | Confident | 12 Ų | 12 | 49.5 Ų | 49.5 | 6% | 0.063 | 29% | 0.289 | C | S | . | . | P | Polyproline II helix | trans | -103 | 145.2 | -179.2 | -70 | 175.5 | 0 | 0 | 0 | 111.2 | G454 P456 V476 F478 L483 I757 N760 L762 | L452-G454 PolarHBondContact O-N 3.45Å; L452-P456 HydrophobicContact CD1-CB 4.09Å; L452-P456 HydrophobicContact CD1-CG 3.84Å; L452-V476 HydrophobicContact CD1-CG1 3.81Å; L452-V476 HydrophobicContact CD1-CG2 4.44Å; L452-F478 HydrophobicContact CB-CZ 4.37Å; L452-L483 HydrophobicContact CD2-CD2 4.25Å; L452-I757 HydrophobicContact CD1-CG2 4.34Å; L452-N760 PolarHBondContact N-O 2.88Å; L452-L762 HydrophobicContact CD1-CB 3.73Å; L452-L762 HydrophobicContact CD2-CB 4.34Å; L452-L762 HydrophobicContact CG-CB 3.89Å |
| 453 | P | 84.7 | Confident | 89.8 | Confident | 103 Ų | 103 | 52.4 Ų | 52.4 | 67% | 0.669 | 30% | 0.299 | S | S | * | . | S | Bend | trans | -72.9 | 116.5 | 175.5 | 29.1 | -33.1 | 0 | 0 | 0 | 110.9 | F478 | P453-F478 WeakPolarHBondContact O-CE1 3.08Š|
| 454 | G | 86 | Confident | 90 | Very high | 54 Ų | 54 | 56.7 Ų | 56.7 | 56% | 0.557 | 31% | 0.313 | S | S | * | . | S | Bend | trans | 87 | -156 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | L452 P456 | L452-G454 PolarHBondContact O-N 3.45Å; G454-P456 WeakPolarHBondContact O-CD 3.41Å |
| 455 | N | 88.5 | Confident | 90.2 | Very high | 108 Ų | 108 | 58.1 Ų | 58.1 | 58% | 0.578 | 32% | 0.318 | S | S | * | . | trans | -112.8 | 97.1 | -174.4 | -164.1 | -1.7 | 0 | 0 | 0 | 110.8 | T759 | N455-T759 PolarHBondContact OD1-O 3.03Š| ||
| 456 | P | 93.1 | Very high | 90.3 | Very high | 4 Ų | 4 | 60.4 Ų | 60.4 | 3% | 0.026 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.2 | 144.6 | 174.4 | 30.2 | -37.7 | 0 | 0 | 0 | 111.1 | L452 G454 V476 S477 F478 I757 T759 | L452-P456 HydrophobicContact CD1-CB 4.09Å; L452-P456 HydrophobicContact CD1-CG 3.84Å; G454-P456 WeakPolarHBondContact O-CD 3.41Å; P456-V476 HydrophobicContact CB-CG1 3.6Å; P456-S477 WeakPolarHBondContact CA-O 3.5Å; P456-F478 HydrophobicContact CB-CD1 4.18Å; P456-F478 HydrophobicContact CB-CE1 3.9Å; P456-F478 HydrophobicContact CB-CZ 4.41Å; P456-F478 HydrophobicContact CG-CE1 4.44Å; P456-I757 HydrophobicContact CB-CD1 3.88Å; P456-I757 HydrophobicContact CB-CG2 4.42Å; P456-I757 HydrophobicContact CG-CB 4.26Å; P456-I757 HydrophobicContact CG-CD1 4.16Å; P456-I757 HydrophobicContact CG-CG2 4.29Å; P456-T759 VanDerWaalsContact CD-O 3.27Å; P456-T759 WeakPolarHBondContact CD-O 3.49Å; P456-T759 WeakPolarHBondContact CG-O 3.48Å |
| 457 | N | 91.3 | Very high | 90.6 | Very high | 68 Ų | 68 | 63.4 Ų | 63.4 | 36% | 0.364 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | -21.6 | -179.1 | 60.3 | 27.1 | 0 | 0 | 0 | 114.1 | S477 F478 | N457-S477 PolarHBondContact N-O 2.93Å; N457-S477 VanDerWaalsContact OD1-C 3.31Å; N457-S477 WeakPolarHBondContact OD1-CB 3.44Å; N457-S477 PolarHBondContact OD1-O 3.12Å; N457-S477 PolarHBondContact OD1-OG 2.95Å; N457-S477 VanDerWaalsContact OD1-OG 3.06Å; N457-F478 VanDerWaalsContact ND2-C 3.28Å; N457-F478 PolarHBondContact ND2-O 3.39Å; N457-F478 VanDerWaalsContact ND2-O 3.14Å |
| 458 | A | 93.6 | Very high | 90.8 | Very high | 6 Ų | 6 | 62 Ų | 62 | 5% | 0.05 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.3 | 156 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | W460 S477 Y741 | A458-W460 HydrophobicContact CB-CH2 3.23Å; A458-W460 HydrophobicContact CB-CZ2 3.63Å; A458-W460 HydrophobicContact CB-CZ3 3.74Å; A458-S477 PolarHBondContact N-O 3.37Å; A458-S477 PolarHBondContact O-N 3.21Å; A458-Y741 HydrophobicContact CB-CD1 4.34Å; A458-Y741 HydrophobicContact CB-CD2 3.81Å; A458-Y741 HydrophobicContact CB-CE1 4.26Å; A458-Y741 HydrophobicContact CB-CE2 3.7Å; A458-Y741 HydrophobicContact CB-CG 4.14Å |
| 459 | V | 95.8 | Very high | 90.8 | Very high | 0 Ų | 0 | 66.9 Ų | 66.9 | 0% | 0 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 137 | 177 | 62.9 | 0 | 0 | 0 | 0 | 111.2 | I474 I475 V476 Y741 S743 V755 I757 L762 | V459-I474 HydrophobicContact CG2-CG2 3.72Å; V459-I475 CarbonylContact C-O 3.29Å; V459-I475 VanDerWaalsContact CA-O 3.24Å; V459-I475 WeakPolarHBondContact CA-O 3.18Å; V459-V476 HydrophobicContact CG2-CG2 4.11Å; V459-Y741 HydrophobicContact CG1-CD1 3.96Å; V459-Y741 WeakPolarHBondContact O-CD1 3.33Å; V459-Y741 WeakPolarHBondContact O-CE1 3.46Å; V459-S743 PolarHBondContact O-OG 3.49Å; V459-V755 HydrophobicContact CG1-CG1 4.34Å; V459-V755 HydrophobicContact CG2-CG1 3.65Å; V459-I757 HydrophobicContact CB-CG2 4.17Å; V459-I757 HydrophobicContact CG1-CG1 4.26Å; V459-I757 HydrophobicContact CG1-CG2 4.15Å; V459-L762 HydrophobicContact CG2-CD1 4.18Å |
| 460 | W | 95.8 | Very high | 91 | Very high | 23 Ų | 23 | 67.1 Ų | 67.1 | 9% | 0.087 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 153.6 | 175 | -58.4 | -87.9 | 0 | 0 | 0 | 111.2 | A458 I474 I475 T505 L506 C508 Y741 | A458-W460 HydrophobicContact CB-CH2 3.23Å; A458-W460 HydrophobicContact CB-CZ2 3.63Å; A458-W460 HydrophobicContact CB-CZ3 3.74Å; W460-I474 CarbonylContact O-C 3.29Å; W460-I474 WeakPolarHBondContact O-CA 3.24Å; W460-I475 HydrophobicContact CE3-CG2 4.35Å; W460-I475 PolarHBondContact N-O 2.89Å; W460-I475 PolarHBondContact O-N 3.31Å; W460-T505 HydrophobicContact CH2-CG2 4.41Å; W460-T505 VanDerWaalsContact CH2-O 3.27Å; W460-T505 WeakPolarHBondContact CH2-O 3.3Å; W460-T505 HydrophobicContact CZ3-CG2 4.03Å; W460-L506 WeakPolarHBondContact CZ2-O 3.35Å; W460-C508 HydrophobicContact CB-CB 4.16Å; W460-C508 HydrophobicContact CG-CB 4.39Å; W460-Y741 PolarHBondContact NE1-OH 2.78Å |
| 461 | T | 94.5 | Very high | 91.2 | Very high | 27 Ų | 27 | 64.7 Ų | 64.7 | 17% | 0.166 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 137.7 | 173.2 | 48.8 | 0 | 0 | 0 | 0 | 108 | Y473 I474 G744 F745 V755 | T461-Y473 WeakPolarHBondContact CA-O 3.47Å; T461-I474 HydrophobicContact CG2-CG1 4.38Å; T461-G744 WeakPolarHBondContact CB-O 3.38Å; T461-G744 WeakPolarHBondContact CG2-O 3.41Å; T461-G744 PolarHBondContact OG1-O 3.09Å; T461-F745 HydrophobicContact CG2-CB 4.38Å; T461-F745 HydrophobicContact CG2-CD2 3.98Å; T461-V755 HydrophobicContact CG2-CB 4.32Å; T461-V755 HydrophobicContact CG2-CG2 4.17Å |
| 462 | V | 93.4 | Very high | 91.3 | Very high | 4 Ų | 4 | 58.7 Ų | 58.7 | 2% | 0.024 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 135.8 | -178.5 | -164.8 | 0 | 0 | 0 | 0 | 110.2 | A472 Y473 I475 C508 L510 L516 | V462-A472 PolarHBondContact O-N 3.36Å; V462-Y473 PolarHBondContact N-O 3.27Å; V462-Y473 PolarHBondContact O-N 3.34Å; V462-I475 HydrophobicContact CB-CD1 4.36Å; V462-I475 HydrophobicContact CG2-CD1 3.76Å; V462-C508 HydrophobicContact CG2-CB 3.88Å; V462-L510 HydrophobicContact CG1-CB 3.9Å; V462-L516 HydrophobicContact CB-CD2 4.28Å; V462-L516 HydrophobicContact CG1-CD2 3.35Å |
| 463 | R | 92.9 | Very high | 91.5 | Very high | 65 Ų | 65 | 59.1 Ų | 59.1 | 25% | 0.245 | 31% | 0.307 | C | S | . | . | trans | -77.8 | 159.1 | 172.4 | -60 | -179.7 | -175.4 | -170.7 | -7 | 111 | H465 D468 D471 L510 | R463-H465 WeakPolarHBondContact CB-O 3.24Å; R463-D468 WeakPolarHBondContact CD-O 3.44Å; R463-D468 PolarHBondContact NH1-O 3.41Å; R463-D471 WeakPolarHBondContact CG-OD1 3.46Å; R463-D471 IonicContact NE-OD1 3.54Å; R463-D471 PolarHBondContact NE-OD1 3.19Å; R463-L510 HydrophobicContact CB-CD2 4.38Å | ||
| 464 | R | 90 | Very high | 92 | Very high | 149 Ų | 149 | 54.2 Ų | 54.2 | 56% | 0.562 | 28% | 0.275 | S | S | * | . | S | Bend | trans | -81.3 | -41.2 | 172.4 | -175.9 | -178.4 | -63.1 | -119.8 | -0.8 | 110.8 | A472 Y473 | R464-A472 HydrophobicContact CB-CB 3.95Å; R464-Y473 PolarHBondContact NH2-OH 3.06Å |
| 465 | H | 91.3 | Very high | 92.4 | Very high | 50 Ų | 50 | 51.7 Ų | 51.7 | 23% | 0.231 | 25% | 0.249 | C | C | . | . | S | Bend | trans | -130 | 155.1 | 176.8 | -167 | -101.9 | 0 | 0 | 0 | 111 | R463 E467 D468 E513 | R463-H465 WeakPolarHBondContact CB-O 3.24Å; H465-E467 VanDerWaalsContact C-N 3.32Å; H465-E467 IonicContact CE1-OE2 3.78Å; H465-E467 WeakPolarHBondContact ND1-CB 3.18Å; H465-E467 PolarHBondContact ND1-N 3.48Å; H465-E467 VanDerWaalsContact ND1-N 3.16Å; H465-E467 PolarHBondContact O-N 2.91Å; H465-D468 WeakPolarHBondContact CB-OD2 3.22Å; H465-D468 PolarHBondContact N-OD2 2.97Å; H465-D468 WeakPolarHBondContact O-CB 3.49Å; H465-D468 PolarHBondContact O-N 3.23Å; H465-E513 CarbonylContact C-O 3.6Å; H465-E513 WeakPolarHBondContact CA-O 2.97Å; H465-E513 PolarHBondContact CD2-O 2.66Å; H465-E513 VanDerWaalsContact CD2-O 3.3Å |
| 466 | V | 88.6 | Confident | 92.7 | Very high | 74 Ų | 74 | 46.5 Ų | 46.5 | 45% | 0.448 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -33.7 | 179.7 | 65.5 | 0 | 0 | 0 | 0 | 113 | D468 L510 E513 | V466-D468 VanDerWaalsContact C-N 3.29Å; V466-L510 HydrophobicContact CB-CD2 4.08Å; V466-E513 HydrophobicContact CG1-CB 4.41Å; V466-E513 HydrophobicContact CG1-CG 4.46Å; V466-E513 PolarHBondContact N-O 2.9Å |
| 467 | E | 91.4 | Very high | 92.8 | Very high | 164 Ų | 164 | 46.3 Ų | 46.3 | 77% | 0.766 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.1 | -9.7 | 178 | -60.2 | -178.7 | 162.3 | 0 | 0 | 113.3 | H465 E469 | H465-E467 VanDerWaalsContact C-N 3.32Å; H465-E467 IonicContact CE1-OE2 3.78Å; H465-E467 WeakPolarHBondContact ND1-CB 3.18Å; H465-E467 PolarHBondContact ND1-N 3.48Å; H465-E467 VanDerWaalsContact ND1-N 3.16Å; H465-E467 PolarHBondContact O-N 2.91Å; E467-E469 PolarHBondContact O-N 2.72Å |
| 468 | D | 91.1 | Very high | 92.9 | Very high | 62 Ų | 62 | 44.4 Ų | 44.4 | 33% | 0.332 | 21% | 0.208 | S | C | . | . | trans | -66.3 | 131.9 | 176.9 | -66.6 | -21.2 | 0 | 0 | 0 | 109.6 | R463 H465 V466 F470 | R463-D468 WeakPolarHBondContact CD-O 3.44Å; R463-D468 PolarHBondContact NH1-O 3.41Å; H465-D468 WeakPolarHBondContact CB-OD2 3.22Å; H465-D468 PolarHBondContact N-OD2 2.97Å; H465-D468 WeakPolarHBondContact O-CB 3.49Å; H465-D468 PolarHBondContact O-N 3.23Å; V466-D468 VanDerWaalsContact C-N 3.29Å; D468-F470 VanDerWaalsContact C-N 3.29Å | ||
| 469 | E | 88.7 | Confident | 92.7 | Very high | 150 Ų | 150 | 48.7 Ų | 48.7 | 70% | 0.701 | 23% | 0.234 | S | C | * | . | S | Bend | trans | -67.6 | -34.4 | 176 | -65.1 | -168.6 | 165.5 | 0 | 0 | 111.4 | E467 | E467-E469 PolarHBondContact O-N 2.72Š|
| 470 | F | 92.6 | Very high | 92.3 | Very high | 77 Ų | 77 | 54.9 Ų | 54.9 | 34% | 0.338 | 27% | 0.267 | S | S | . | . | S | Bend | trans | -114.7 | 154.3 | -172 | -54.2 | -56.5 | 0 | 0 | 0 | 113.2 | D468 S747 E748 | D468-F470 VanDerWaalsContact C-N 3.29Å; F470-S747 VanDerWaalsContact CD1-CA 3.43Å; F470-S747 WeakPolarHBondContact CD1-O 3.41Å; F470-S747 VanDerWaalsContact CE1-O 3.29Å; F470-S747 WeakPolarHBondContact CE1-O 3.39Å; F470-E748 HydrophobicContact CE2-CB 4.18Å; F470-E748 HydrophobicContact CZ-CB 4.21Å |
| 471 | D | 93.2 | Very high | 92.2 | Very high | 16 Ų | 16 | 55.7 Ų | 55.7 | 9% | 0.086 | 28% | 0.278 | C | S | . | . | trans | -75.1 | 147.7 | 175.4 | -59.8 | -40.2 | 0 | 0 | 0 | 111.2 | R463 I487 F745 A746 | R463-D471 WeakPolarHBondContact CG-OD1 3.46Å; R463-D471 IonicContact NE-OD1 3.54Å; R463-D471 PolarHBondContact NE-OD1 3.19Å; D471-I487 HydrophobicContact CB-CD1 3.67Å; D471-I487 WeakPolarHBondContact O-CD1 3.48Å; D471-F745 WeakPolarHBondContact OD2-CA 3.43Å; D471-A746 PolarHBondContact N-O 2.82Å; D471-A746 PolarHBondContact OD2-N 3.16Å | ||
| 472 | A | 91.7 | Very high | 92.1 | Very high | 16 Ų | 16 | 54.9 Ų | 54.9 | 13% | 0.132 | 27% | 0.274 | C | S | . | . | trans | -103.8 | -32.2 | -177 | 0 | 0 | 0 | 0 | 0 | 113 | V462 R464 S486 I487 | V462-A472 PolarHBondContact O-N 3.36Å; R464-A472 HydrophobicContact CB-CB 3.95Å; A472-S486 WeakPolarHBondContact O-CA 3.11Å; A472-I487 PolarHBondContact O-N 2.87Å | ||
| 473 | Y | 93.4 | Very high | 92.1 | Very high | 22 Ų | 22 | 55.9 Ų | 55.9 | 9% | 0.086 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 140.7 | -174.6 | -61 | -72.5 | 0 | 0 | 0 | 112.5 | T461 V462 R464 V484 L485 | T461-Y473 WeakPolarHBondContact CA-O 3.47Å; V462-Y473 PolarHBondContact N-O 3.27Å; V462-Y473 PolarHBondContact O-N 3.34Å; R464-Y473 PolarHBondContact NH2-OH 3.06Å; Y473-V484 HydrophobicContact CD1-CG1 3.9Å; Y473-V484 HydrophobicContact CG-CG1 4.41Å; Y473-L485 CarbonylContact C-O 3.59Å; Y473-L485 VanDerWaalsContact CA-O 3.28Å; Y473-L485 WeakPolarHBondContact CA-O 3.31Å |
| 474 | I | 94.5 | Very high | 92.1 | Very high | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 121.1 | 164 | -52.8 | 179 | 0 | 0 | 0 | 107.8 | V459 W460 T461 V476 L485 I487 F745 V755 | V459-I474 HydrophobicContact CG2-CG2 3.72Å; W460-I474 CarbonylContact O-C 3.29Å; W460-I474 WeakPolarHBondContact O-CA 3.24Å; T461-I474 HydrophobicContact CG2-CG1 4.38Å; I474-V476 HydrophobicContact CG2-CG2 4.34Å; I474-L485 HydrophobicContact CB-CB 4.29Å; I474-L485 PolarHBondContact N-O 2.96Å; I474-L485 PolarHBondContact O-N 3.47Å; I474-I487 HydrophobicContact CD1-CD1 4.29Å; I474-I487 HydrophobicContact CD1-CG1 4.07Å; I474-I487 HydrophobicContact CG1-CD1 3.69Å; I474-I487 HydrophobicContact CG1-CG1 3.73Å; I474-F745 HydrophobicContact CD1-CD2 4.44Å; I474-F745 HydrophobicContact CD1-CE2 3.93Å; I474-F745 HydrophobicContact CG1-CE2 4.41Å; I474-V755 HydrophobicContact CD1-CG2 4.15Å; I474-V755 HydrophobicContact CG2-CG1 4.18Å |
| 475 | I | 95.2 | Very high | 92.2 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 121.7 | -179.6 | -58.2 | 88 | 0 | 0 | 0 | 108.5 | V459 W460 V462 T482 L483 V484 F499 C508 | V459-I475 CarbonylContact C-O 3.29Å; V459-I475 VanDerWaalsContact CA-O 3.24Å; V459-I475 WeakPolarHBondContact CA-O 3.18Å; W460-I475 HydrophobicContact CE3-CG2 4.35Å; W460-I475 PolarHBondContact N-O 2.89Å; W460-I475 PolarHBondContact O-N 3.31Å; V462-I475 HydrophobicContact CB-CD1 4.36Å; V462-I475 HydrophobicContact CG2-CD1 3.76Å; I475-T482 HydrophobicContact CG2-CG2 3.32Å; I475-L483 WeakPolarHBondContact CA-O 3.29Å; I475-V484 HydrophobicContact CG1-CG1 4.32Å; I475-V484 HydrophobicContact CG1-CG2 4.18Å; I475-V484 HydrophobicContact CG2-CG2 4.33Å; I475-F499 HydrophobicContact CD1-CZ 4.43Å; I475-F499 HydrophobicContact CG1-CZ 4.5Å; I475-C508 HydrophobicContact CD1-CB 4.15Å; I475-C508 HydrophobicContact CG1-CB 4.37Å |
| 476 | V | 94.9 | Very high | 92.1 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 117.7 | 177.9 | -176.2 | 0 | 0 | 0 | 0 | 109.3 | L452 P456 V459 I474 F478 T482 L483 L762 | L452-V476 HydrophobicContact CD1-CG1 3.81Å; L452-V476 HydrophobicContact CD1-CG2 4.44Å; P456-V476 HydrophobicContact CB-CG1 3.6Å; V459-V476 HydrophobicContact CG2-CG2 4.11Å; I474-V476 HydrophobicContact CG2-CG2 4.34Å; V476-F478 HydrophobicContact CB-CE2 4.39Å; V476-F478 HydrophobicContact CG1-CE2 3.94Å; V476-F478 HydrophobicContact CG1-CZ 3.97Å; V476-T482 CarbonylContact O-C 3.5Å; V476-T482 WeakPolarHBondContact O-CA 3.33Å; V476-L483 HydrophobicContact CB-CB 4.42Å; V476-L483 PolarHBondContact N-O 2.93Å; V476-L483 PolarHBondContact O-N 2.87Å; V476-L762 HydrophobicContact CG2-CD1 4.35Å |
| 477 | S | 94.9 | Very high | 92.1 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 137.1 | 175.6 | 175.2 | 0 | 0 | 0 | 0 | 110.8 | P456 N457 A458 T505 | P456-S477 WeakPolarHBondContact CA-O 3.5Å; N457-S477 PolarHBondContact N-O 2.93Å; N457-S477 VanDerWaalsContact OD1-C 3.31Å; N457-S477 WeakPolarHBondContact OD1-CB 3.44Å; N457-S477 PolarHBondContact OD1-O 3.12Å; N457-S477 PolarHBondContact OD1-OG 2.95Å; N457-S477 VanDerWaalsContact OD1-OG 3.06Å; A458-S477 PolarHBondContact N-O 3.37Å; A458-S477 PolarHBondContact O-N 3.21Å; S477-T505 PolarHBondContact OG-N 2.92Å; S477-T505 VanDerWaalsContact OG-N 3.16Å; S477-T505 PolarHBondContact OG-O 2.79Å |
| 478 | F | 92.8 | Very high | 91.3 | Very high | 27 Ų | 27 | 38.7 Ų | 38.7 | 12% | 0.118 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | -179.7 | 170.8 | -61.8 | -90 | 0 | 0 | 0 | 109.4 | L452 P453 P456 N457 V476 N480 A481 L483 P504 | L452-F478 HydrophobicContact CB-CZ 4.37Å; P453-F478 WeakPolarHBondContact O-CE1 3.08Å; P456-F478 HydrophobicContact CB-CD1 4.18Å; P456-F478 HydrophobicContact CB-CE1 3.9Å; P456-F478 HydrophobicContact CB-CZ 4.41Å; P456-F478 HydrophobicContact CG-CE1 4.44Å; N457-F478 VanDerWaalsContact ND2-C 3.28Å; N457-F478 PolarHBondContact ND2-O 3.39Å; N457-F478 VanDerWaalsContact ND2-O 3.14Å; V476-F478 HydrophobicContact CB-CE2 4.39Å; V476-F478 HydrophobicContact CG1-CE2 3.94Å; V476-F478 HydrophobicContact CG1-CZ 3.97Å; F478-N480 VanDerWaalsContact C-N 3.28Å; F478-N480 PolarHBondContact O-N 3.44Å; F478-A481 WeakPolarHBondContact CA-O 3.48Å; F478-A481 WeakPolarHBondContact CB-O 3.46Å; F478-A481 PolarHBondContact N-O 2.95Å; F478-L483 HydrophobicContact CE2-CB 3.77Å; F478-L483 HydrophobicContact CE2-CD2 4.38Å; F478-P504 WeakPolarHBondContact O-CB 3.49Å |
| 479 | V | 89.6 | Confident | 90.3 | Very high | 96 Ų | 96 | 44.6 Ų | 44.6 | 58% | 0.582 | 25% | 0.247 | S | C | * | . | S | Bend | trans | -61.9 | -36.5 | 178.8 | -178.2 | 0 | 0 | 0 | 0 | 112.2 | ||
| 480 | N | 88.6 | Confident | 89.6 | Confident | 130 Ų | 130 | 41.6 Ų | 41.6 | 70% | 0.695 | 24% | 0.239 | S | C | * | . | S | Bend | trans | -124.4 | -2.4 | -172.3 | -64.7 | -32.5 | 0 | 0 | 0 | 114.5 | F478 T502 | F478-N480 VanDerWaalsContact C-N 3.28Å; F478-N480 PolarHBondContact O-N 3.44Å; N480-T502 VanDerWaalsContact O-O 3.09Å |
| 481 | A | 92.3 | Very high | 89.1 | Confident | 40 Ų | 40 | 41.6 Ų | 41.6 | 33% | 0.331 | 25% | 0.245 | S | C | . | . | trans | -153.2 | 166.5 | -173.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | F478 G501 T503 | F478-A481 WeakPolarHBondContact CA-O 3.48Å; F478-A481 WeakPolarHBondContact CB-O 3.46Å; F478-A481 PolarHBondContact N-O 2.95Å; A481-G501 CarbonylContact C-O 3.58Å; A481-G501 WeakPolarHBondContact CA-O 3.3Å; A481-G501 WeakPolarHBondContact CB-O 3.31Å; A481-T503 CarbonylContact C-O 3.58Å | ||
| 482 | T | 92.9 | Very high | 88.8 | Confident | 11 Ų | 11 | 46.5 Ų | 46.5 | 7% | 0.067 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 130.3 | 173.4 | -58.5 | 0 | 0 | 0 | 0 | 108.9 | I475 V476 G501 T503 T505 | I475-T482 HydrophobicContact CG2-CG2 3.32Å; V476-T482 CarbonylContact O-C 3.5Å; V476-T482 WeakPolarHBondContact O-CA 3.33Å; T482-G501 PolarHBondContact N-O 3.18Å; T482-G501 VanDerWaalsContact O-CA 3.25Å; T482-G501 WeakPolarHBondContact O-CA 3.47Å; T482-T503 PolarHBondContact OG1-O 3.1Å; T482-T505 WeakPolarHBondContact CG2-OG1 3.47Å; T482-T505 WeakPolarHBondContact OG1-CB 3.49Å; T482-T505 PolarHBondContact OG1-N 3.3Å; T482-T505 PolarHBondContact OG1-OG1 2.96Å |
| 483 | L | 93.3 | Very high | 88.6 | Confident | 25 Ų | 25 | 52.1 Ų | 52.1 | 13% | 0.131 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 137.5 | 175.3 | 180 | 66.1 | 0 | 0 | 0 | 109.3 | L452 I475 V476 F478 L485 E493 | L452-L483 HydrophobicContact CD2-CD2 4.25Å; I475-L483 WeakPolarHBondContact CA-O 3.29Å; V476-L483 HydrophobicContact CB-CB 4.42Å; V476-L483 PolarHBondContact N-O 2.93Å; V476-L483 PolarHBondContact O-N 2.87Å; F478-L483 HydrophobicContact CE2-CB 3.77Å; F478-L483 HydrophobicContact CE2-CD2 4.38Å; L483-L485 HydrophobicContact CD1-CD2 4.43Å; L483-L485 HydrophobicContact CD2-CD2 4.08Å; L483-L485 HydrophobicContact CG-CD2 4.05Å; L483-L485 HydrophobicContact CG-CG 4.46Å; L483-E493 HydrophobicContact CD1-CB 4.42Å; L483-E493 HydrophobicContact CD1-CG 3.55Å; L483-E493 WeakPolarHBondContact CD1-OE1 3.39Å |
| 484 | V | 93 | Very high | 88.3 | Confident | 8 Ų | 8 | 52.4 Ų | 52.4 | 5% | 0.048 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 125.4 | 177.2 | -177.3 | 0 | 0 | 0 | 0 | 108.8 | Y473 I475 V494 F499 | Y473-V484 HydrophobicContact CD1-CG1 3.9Å; Y473-V484 HydrophobicContact CG-CG1 4.41Å; I475-V484 HydrophobicContact CG1-CG1 4.32Å; I475-V484 HydrophobicContact CG1-CG2 4.18Å; I475-V484 HydrophobicContact CG2-CG2 4.33Å; V484-V494 PolarHBondContact O-N 3.18Å; V484-F499 HydrophobicContact CG1-CD2 4.26Å; V484-F499 HydrophobicContact CG2-CB 3.89Å; V484-F499 HydrophobicContact CG2-CD2 4.16Å; V484-F499 HydrophobicContact CG2-CG 4.18Å |
| 485 | L | 91.8 | Very high | 87.8 | Confident | 18 Ų | 18 | 58.4 Ų | 58.4 | 9% | 0.094 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 138.2 | 177.5 | -51.9 | 174.8 | 0 | 0 | 0 | 108.7 | Y473 I474 L483 V491 E492 E493 L762 | Y473-L485 CarbonylContact C-O 3.59Å; Y473-L485 VanDerWaalsContact CA-O 3.28Å; Y473-L485 WeakPolarHBondContact CA-O 3.31Å; I474-L485 HydrophobicContact CB-CB 4.29Å; I474-L485 PolarHBondContact N-O 2.96Å; I474-L485 PolarHBondContact O-N 3.47Å; L483-L485 HydrophobicContact CD1-CD2 4.43Å; L483-L485 HydrophobicContact CD2-CD2 4.08Å; L483-L485 HydrophobicContact CG-CD2 4.05Å; L483-L485 HydrophobicContact CG-CG 4.46Å; L485-V491 HydrophobicContact CB-CG1 3.88Å; L485-V491 HydrophobicContact CD1-CG1 3.93Å; L485-V491 HydrophobicContact CG-CG1 4.41Å; L485-E492 CarbonylContact C-O 3.59Å; L485-E492 WeakPolarHBondContact CA-O 3.4Å; L485-E493 HydrophobicContact CD2-CB 4.06Å; L485-L762 HydrophobicContact CD1-CD2 3.95Å |
| 486 | S | 90.3 | Very high | 87.1 | Confident | 31 Ų | 31 | 63.3 Ų | 63.3 | 22% | 0.217 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 143.9 | 170.2 | 58.9 | 0 | 0 | 0 | 0 | 111.4 | A472 E492 V494 | A472-S486 WeakPolarHBondContact O-CA 3.11Å; S486-E492 PolarHBondContact N-O 3.32Å; S486-E492 PolarHBondContact O-N 3.22Å; S486-V494 WeakPolarHBondContact OG-CG2 3.37Å |
| 487 | I | 86.7 | Confident | 86.4 | Confident | 33 Ų | 33 | 64 Ų | 64 | 17% | 0.169 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 112.1 | 176.3 | -54.1 | 159.3 | 0 | 0 | 0 | 107.7 | D471 A472 I474 F745 | D471-I487 HydrophobicContact CB-CD1 3.67Å; D471-I487 WeakPolarHBondContact O-CD1 3.48Å; A472-I487 PolarHBondContact O-N 2.87Å; I474-I487 HydrophobicContact CD1-CD1 4.29Å; I474-I487 HydrophobicContact CD1-CG1 4.07Å; I474-I487 HydrophobicContact CG1-CD1 3.69Å; I474-I487 HydrophobicContact CG1-CG1 3.73Å; I487-F745 HydrophobicContact CD1-CD2 4.28Å; I487-F745 HydrophobicContact CD1-CE2 3.63Å; I487-F745 HydrophobicContact CG1-CE2 4.18Å; I487-F745 HydrophobicContact CG2-CE2 4.47Å; I487-F745 HydrophobicContact CG2-CZ 4.48Å |
| 488 | G | 75.7 | Confident | 85.8 | Confident | 51 Ų | 51 | 65.1 Ų | 65.1 | 53% | 0.526 | 38% | 0.375 | S | S | . | . | S | Bend | trans | -136.5 | -144.5 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | T490 | G488-T490 PolarHBondContact N-O 3.19Å; G488-T490 PolarHBondContact O-N 3.4Å |
| 489 | E | 69.8 | Low | 85.6 | Confident | 186 Ų | 186 | 64.6 Ų | 64.6 | 87% | 0.869 | 37% | 0.372 | S | S | * | . | S | Bend | trans | -62.8 | -36.2 | 168.8 | -66.6 | -178.7 | 179.5 | 0 | 0 | 111.5 | ||
| 490 | T | 74.9 | Confident | 85.5 | Confident | 86 Ų | 86 | 61.9 Ų | 61.9 | 53% | 0.528 | 36% | 0.355 | S | S | . | . | S | Bend | trans | -121 | 151.2 | 173 | 50.6 | 0 | 0 | 0 | 0 | 110.1 | G488 E492 | G488-T490 PolarHBondContact N-O 3.19Å; G488-T490 PolarHBondContact O-N 3.4Å; T490-E492 PolarHBondContact OG1-OE1 3.24Å |
| 491 | V | 81.8 | Confident | 85.3 | Confident | 78 Ų | 78 | 57.2 Ų | 57.2 | 47% | 0.473 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 114.3 | 173.6 | -177.9 | 0 | 0 | 0 | 0 | 108.5 | L485 | L485-V491 HydrophobicContact CB-CG1 3.88Å; L485-V491 HydrophobicContact CD1-CG1 3.93Å; L485-V491 HydrophobicContact CG-CG1 4.41Å |
| 492 | E | 86.3 | Confident | 85.2 | Confident | 118 Ų | 118 | 60.5 Ų | 60.5 | 55% | 0.551 | 35% | 0.353 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 149.7 | -176.4 | -65.8 | -171.6 | 179.7 | 0 | 0 | 112.2 | L485 S486 T490 | L485-E492 CarbonylContact C-O 3.59Å; L485-E492 WeakPolarHBondContact CA-O 3.4Å; S486-E492 PolarHBondContact N-O 3.32Å; S486-E492 PolarHBondContact O-N 3.22Å; T490-E492 PolarHBondContact OG1-OE1 3.24Å |
| 493 | E | 87.8 | Confident | 85 | Confident | 134 Ų | 134 | 61.3 Ų | 61.3 | 63% | 0.626 | 36% | 0.358 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 129.6 | 174.6 | 179.1 | 177.8 | 173.8 | 0 | 0 | 111.2 | L483 L485 | L483-E493 HydrophobicContact CD1-CB 4.42Å; L483-E493 HydrophobicContact CD1-CG 3.55Å; L483-E493 WeakPolarHBondContact CD1-OE1 3.39Å; L485-E493 HydrophobicContact CD2-CB 4.06Å |
| 494 | V | 88.1 | Confident | 85 | Confident | 28 Ų | 28 | 61.9 Ų | 61.9 | 17% | 0.17 | 36% | 0.363 | C | S | . | . | trans | -125.6 | 128.2 | -176.8 | 178.4 | 0 | 0 | 0 | 0 | 111.6 | V484 S486 D496 | V484-V494 PolarHBondContact O-N 3.18Å; S486-V494 WeakPolarHBondContact OG-CG2 3.37Å; V494-D496 WeakPolarHBondContact CG1-OD1 3.18Å | ||
| 495 | T | 83.5 | Confident | 85.1 | Confident | 127 Ų | 127 | 61.8 Ų | 61.8 | 78% | 0.779 | 36% | 0.363 | S | S | * | . | S | Bend | trans | -104 | -15.6 | -178.6 | 53 | 0 | 0 | 0 | 0 | 114 | ||
| 496 | D | 80.1 | Confident | 85.2 | Confident | 102 Ų | 102 | 63.1 Ų | 63.1 | 55% | 0.545 | 37% | 0.37 | S | S | . | . | trans | -96.4 | 13.6 | -176.4 | 83.3 | -47.8 | 0 | 0 | 0 | 114.1 | V494 G498 K531 | V494-D496 WeakPolarHBondContact CG1-OD1 3.18Å; D496-G498 PolarHBondContact O-N 3.44Å; D496-K531 PolarHBondContact O-NZ 2.72Å; D496-K531 IonicContact OD2-NZ 2.66Å; D496-K531 PolarHBondContact OD2-NZ 2.81Å; D496-K531 VanDerWaalsContact OD2-NZ 3.15Å | ||
| 497 | S | 81.1 | Confident | 85.4 | Confident | 14 Ų | 14 | 62.1 Ų | 62.1 | 10% | 0.098 | 36% | 0.363 | C | S | . | . | S | Bend | trans | -68.8 | -16.3 | -179.3 | 59.9 | 0 | 0 | 0 | 0 | 114.1 | F499 | S497-F499 VanDerWaalsContact C-N 3.33Š|
| 498 | G | 82.3 | Confident | 85.8 | Confident | 24 Ų | 24 | 60.9 Ų | 60.9 | 25% | 0.247 | 36% | 0.357 | C | S | . | . | S | Bend | trans | 89.9 | -10.5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | D496 R525 I527 | D496-G498 PolarHBondContact O-N 3.44Å; G498-R525 PolarHBondContact O-NE 3.38Å; G498-R525 PolarHBondContact O-NH1 3.31Å; G498-R525 PolarHBondContact O-NH2 3.31Å; G498-I527 VanDerWaalsContact C-CD1 3.48Å; G498-I527 WeakPolarHBondContact O-CD1 3.28Å |
| 499 | F | 88.6 | Confident | 86.6 | Confident | 16 Ų | 16 | 59.2 Ų | 59.2 | 7% | 0.07 | 34% | 0.337 | C | S | . | . | trans | -67.9 | 153 | 173.3 | -72.2 | -79 | 0 | 0 | 0 | 112.1 | I475 V484 S497 C508 L516 Q518 I527 | I475-F499 HydrophobicContact CD1-CZ 4.43Å; I475-F499 HydrophobicContact CG1-CZ 4.5Å; V484-F499 HydrophobicContact CG1-CD2 4.26Å; V484-F499 HydrophobicContact CG2-CB 3.89Å; V484-F499 HydrophobicContact CG2-CD2 4.16Å; V484-F499 HydrophobicContact CG2-CG 4.18Å; S497-F499 VanDerWaalsContact C-N 3.33Å; F499-C508 HydrophobicContact CE1-CB 4.24Å; F499-C508 VanDerWaalsContact CE1-SG 3.55Å; F499-L516 HydrophobicContact CE2-CD1 4.16Å; F499-L516 HydrophobicContact CZ-CB 4.19Å; F499-L516 HydrophobicContact CZ-CD1 4.19Å; F499-L516 HydrophobicContact CZ-CD2 4.45Å; F499-Q518 HydrophobicContact CD1-CB 3.79Å; F499-Q518 HydrophobicContact CD1-CG 4.02Å; F499-Q518 HydrophobicContact CE1-CB 3.98Å; F499-I527 HydrophobicContact CD1-CD1 4.1Å; F499-I527 HydrophobicContact CE1-CD1 4.31Å; F499-I527 HydrophobicContact CG-CD1 4.26Å | ||
| 500 | L | 87.6 | Confident | 87.8 | Confident | 40 Ų | 40 | 51.9 Ų | 51.9 | 21% | 0.209 | 30% | 0.304 | C | S | . | . | trans | -85.9 | 109.6 | 172.2 | -168.3 | 61.7 | 0 | 0 | 0 | 109.8 | T502 T503 Q518 Y520 R525 | L500-T502 WeakPolarHBondContact CD1-OG1 3.37Å; L500-T503 HydrophobicContact CD2-CG2 4.34Å; L500-T503 WeakPolarHBondContact CD2-OG1 3.45Å; L500-Q518 PolarHBondContact O-NE2 2.95Å; L500-Y520 HydrophobicContact CD2-CD2 4.28Å; L500-Y520 HydrophobicContact CD2-CE2 4.09Å; L500-R525 VanDerWaalsContact CA-NH1 3.34Å; L500-R525 VanDerWaalsContact CB-NH1 3.31Å | ||
| 501 | G | 83.7 | Confident | 88.5 | Confident | 32 Ų | 32 | 47.8 Ų | 47.8 | 33% | 0.33 | 28% | 0.279 | S | S | . | . | trans | -86.7 | -12.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | A481 T482 | A481-G501 CarbonylContact C-O 3.58Å; A481-G501 WeakPolarHBondContact CA-O 3.3Å; A481-G501 WeakPolarHBondContact CB-O 3.31Å; T482-G501 PolarHBondContact N-O 3.18Å; T482-G501 VanDerWaalsContact O-CA 3.25Å; T482-G501 WeakPolarHBondContact O-CA 3.47Å | ||
| 502 | T | 89.2 | Confident | 88.7 | Confident | 109 Ų | 109 | 45 Ų | 45 | 67% | 0.669 | 27% | 0.266 | S | S | * | . | S | Bend | trans | -86 | -8 | -170.7 | 53.7 | 0 | 0 | 0 | 0 | 115 | N480 L500 | N480-T502 VanDerWaalsContact O-O 3.09Å; L500-T502 WeakPolarHBondContact CD1-OG1 3.37Å |
| 503 | T | 90.3 | Very high | 88.7 | Confident | 27 Ų | 27 | 45.9 Ų | 45.9 | 17% | 0.166 | 27% | 0.27 | C | S | . | . | S | Bend | trans | -129.5 | 156.7 | -179.3 | 54.7 | 0 | 0 | 0 | 0 | 109.7 | A481 T482 L500 | A481-T503 CarbonylContact C-O 3.58Å; T482-T503 PolarHBondContact OG1-O 3.1Å; L500-T503 HydrophobicContact CD2-CG2 4.34Å; L500-T503 WeakPolarHBondContact CD2-OG1 3.45Å |
| 504 | P | 93.3 | Very high | 88.8 | Confident | 37 Ų | 37 | 43 Ų | 43 | 24% | 0.24 | 26% | 0.259 | C | S | . | . | trans | -62.4 | 148.1 | 170.1 | 27.8 | -35.6 | 0 | 0 | 0 | 110.8 | F478 Y520 P521 | F478-P504 WeakPolarHBondContact O-CB 3.49Å; P504-Y520 WeakPolarHBondContact O-CB 3.39Å; P504-P521 HydrophobicContact CG-CG 4.11Å; P504-P521 VanDerWaalsContact O-CD 3.23Å; P504-P521 WeakPolarHBondContact O-CD 3.47Å | ||
| 505 | T | 94.8 | Very high | 88.9 | Confident | 7 Ų | 7 | 41.9 Ų | 41.9 | 4% | 0.043 | 25% | 0.253 | C | S | . | . | trans | -108.3 | 138.6 | 178.4 | -63.4 | 0 | 0 | 0 | 0 | 109.6 | W460 S477 T482 S507 Q518 | W460-T505 HydrophobicContact CH2-CG2 4.41Å; W460-T505 VanDerWaalsContact CH2-O 3.27Å; W460-T505 WeakPolarHBondContact CH2-O 3.3Å; W460-T505 HydrophobicContact CZ3-CG2 4.03Å; S477-T505 PolarHBondContact OG-N 2.92Å; S477-T505 VanDerWaalsContact OG-N 3.16Å; S477-T505 PolarHBondContact OG-O 2.79Å; T482-T505 WeakPolarHBondContact CG2-OG1 3.47Å; T482-T505 WeakPolarHBondContact OG1-CB 3.49Å; T482-T505 PolarHBondContact OG1-N 3.3Å; T482-T505 PolarHBondContact OG1-OG1 2.96Å; T505-S507 WeakPolarHBondContact CG2-O 3.33Å; T505-Q518 HydrophobicContact CG2-CG 3.77Å; T505-Q518 PolarHBondContact OG1-NE2 2.88Å | ||
| 506 | L | 93.2 | Very high | 89.4 | Confident | 45 Ų | 45 | 36.6 Ų | 36.6 | 24% | 0.236 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -94.1 | -31.4 | 176.6 | -72.1 | 162.4 | 0 | 0 | 0 | 112.3 | W460 V519 P521 I544 | W460-L506 WeakPolarHBondContact CZ2-O 3.35Å; L506-V519 HydrophobicContact CB-CB 4.49Å; L506-V519 HydrophobicContact CB-CG1 4.35Å; L506-V519 HydrophobicContact CD1-CG1 4.36Å; L506-V519 PolarHBondContact N-O 3Å; L506-P521 HydrophobicContact CD1-CG 4.3Å; L506-I544 HydrophobicContact CD1-CB 4Å; L506-I544 HydrophobicContact CD1-CG2 3.85Å |
| 507 | S | 94.8 | Very high | 90.1 | Very high | 11 Ų | 11 | 31.8 Ų | 31.8 | 8% | 0.077 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -163.2 | 146.1 | 175.6 | -179.8 | 0 | 0 | 0 | 0 | 111.4 | T505 Q518 V519 C547 V549 | T505-S507 WeakPolarHBondContact CG2-O 3.33Å; S507-Q518 WeakPolarHBondContact O-CA 3.42Å; S507-V519 PolarHBondContact N-O 3.46Å; S507-V519 PolarHBondContact O-N 2.85Å; S507-C547 WeakPolarHBondContact CB-SG 3.48Å; S507-V549 VanDerWaalsContact OG-CG2 3.31Å; S507-V549 WeakPolarHBondContact OG-CG2 3.45Å |
| 508 | C | 94.6 | Very high | 90.8 | Very high | 7 Ų | 7 | 31.1 Ų | 31.1 | 5% | 0.047 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 135.6 | 164.8 | -72.2 | 0 | 0 | 0 | 0 | 109.3 | W460 V462 I475 F499 V517 | W460-C508 HydrophobicContact CB-CB 4.16Å; W460-C508 HydrophobicContact CG-CB 4.39Å; V462-C508 HydrophobicContact CG2-CB 3.88Å; I475-C508 HydrophobicContact CD1-CB 4.15Å; I475-C508 HydrophobicContact CG1-CB 4.37Å; F499-C508 HydrophobicContact CE1-CB 4.24Å; F499-C508 VanDerWaalsContact CE1-SG 3.55Å; C508-V517 WeakPolarHBondContact CA-O 3.31Å |
| 509 | S | 93.4 | Very high | 91.4 | Very high | 15 Ų | 15 | 30 Ų | 30 | 11% | 0.105 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.2 | 155.9 | 178.9 | 53.2 | 0 | 0 | 0 | 0 | 112.2 | V517 | S509-V517 PolarHBondContact N-O 3.13Å; S509-V517 PolarHBondContact O-N 3.45Å |
| 510 | L | 93.7 | Very high | 91.7 | Very high | 32 Ų | 32 | 29.4 Ų | 29.4 | 17% | 0.168 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 123.3 | 165.5 | -178.2 | 74.1 | 0 | 0 | 0 | 108.2 | V462 R463 V466 A515 L516 | V462-L510 HydrophobicContact CG1-CB 3.9Å; R463-L510 HydrophobicContact CB-CD2 4.38Å; V466-L510 HydrophobicContact CB-CD2 4.08Å; L510-A515 WeakPolarHBondContact CD1-O 3.25Å; L510-L516 HydrophobicContact CD1-CD2 4.26Å |
| 511 | L | 91.3 | Very high | 92 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 124.8 | 177.6 | -174 | 88.5 | 0 | 0 | 0 | 109.1 | A515 V517 Q551 V554 M568 L574 | L511-A515 PolarHBondContact N-O 2.88Å; L511-A515 WeakPolarHBondContact O-CB 3.41Å; L511-A515 PolarHBondContact O-N 3.08Å; L511-V517 HydrophobicContact CB-CG2 3.69Å; L511-V517 HydrophobicContact CD2-CG2 3.72Å; L511-V517 HydrophobicContact CG-CG2 4.25Å; L511-Q551 WeakPolarHBondContact CA-O 3.41Å; L511-V554 HydrophobicContact CD1-CG2 4.11Å; L511-M568 HydrophobicContact CD1-CB 4.48Å; L511-M568 HydrophobicContact CD2-CB 4.09Å; L511-M568 HydrophobicContact CD2-CG 4.02Å; L511-M568 HydrophobicContact CD2-SD 3.75Å; L511-M568 HydrophobicContact CG-CB 4.34Å; L511-M568 HydrophobicContact CG-CG 4.44Å; L511-M568 HydrophobicContact CG-SD 3.76Å; L511-L574 HydrophobicContact CD1-CD1 4.41Å; L511-L574 HydrophobicContact CD2-CD1 3.19Å; L511-L574 HydrophobicContact CG-CD1 4.41Å |
| 512 | G | 85.6 | Confident | 92.4 | Very high | 20 Ų | 20 | 31.6 Ų | 31.6 | 21% | 0.206 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 71.9 | -145.1 | -173.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q551 | G512-Q551 PolarHBondContact N-O 3.2Š|
| 513 | E | 86.3 | Confident | 92.7 | Very high | 136 Ų | 136 | 26.4 Ų | 26.4 | 64% | 0.636 | 15% | 0.149 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.5 | -43.8 | -175.7 | -66.8 | 176.6 | -178.4 | 0 | 0 | 112 | H465 V466 | H465-E513 CarbonylContact C-O 3.6Å; H465-E513 WeakPolarHBondContact CA-O 2.97Å; H465-E513 PolarHBondContact CD2-O 2.66Å; H465-E513 VanDerWaalsContact CD2-O 3.3Å; V466-E513 HydrophobicContact CG1-CB 4.41Å; V466-E513 HydrophobicContact CG1-CG 4.46Å; V466-E513 PolarHBondContact N-O 2.9Å |
| 514 | D | 88.9 | Confident | 92.9 | Very high | 74 Ų | 74 | 25.3 Ų | 25.3 | 40% | 0.396 | 14% | 0.142 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -143 | 7.3 | -166.7 | 69.7 | -12.7 | 0 | 0 | 0 | 114.6 | A529 | D514-A529 HydrophobicContact CB-CB 3.95Å; D514-A529 WeakPolarHBondContact OD2-CB 3.39Å |
| 515 | A | 91.4 | Very high | 92.9 | Very high | 5 Ų | 5 | 26 Ų | 26 | 4% | 0.041 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 138 | -177.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | L510 L511 H526 I527 | L510-A515 WeakPolarHBondContact CD1-O 3.25Å; L511-A515 PolarHBondContact N-O 2.88Å; L511-A515 WeakPolarHBondContact O-CB 3.41Å; L511-A515 PolarHBondContact O-N 3.08Å; A515-H526 VanDerWaalsContact CB-NE2 3.33Å; A515-H526 WeakPolarHBondContact CB-NE2 3.26Å; A515-I527 CarbonylContact C-O 3.59Å; A515-I527 WeakPolarHBondContact CA-O 3.44Å |
| 516 | L | 93.3 | Very high | 92.8 | Very high | 16 Ų | 16 | 25.9 Ų | 25.9 | 8% | 0.084 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 140.1 | -179.9 | -59.8 | 160.3 | 0 | 0 | 0 | 109.3 | V462 F499 L510 I527 | V462-L516 HydrophobicContact CB-CD2 4.28Å; V462-L516 HydrophobicContact CG1-CD2 3.35Å; F499-L516 HydrophobicContact CE2-CD1 4.16Å; F499-L516 HydrophobicContact CZ-CB 4.19Å; F499-L516 HydrophobicContact CZ-CD1 4.19Å; F499-L516 HydrophobicContact CZ-CD2 4.45Å; L510-L516 HydrophobicContact CD1-CD2 4.26Å; L516-I527 HydrophobicContact CB-CB 4.23Å; L516-I527 PolarHBondContact N-O 3.3Å; L516-I527 PolarHBondContact O-N 3.38Å |
| 517 | V | 94.8 | Very high | 92.7 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 127.8 | 173.1 | 175.6 | 0 | 0 | 0 | 0 | 109.8 | C508 S509 L511 V519 I524 R525 H526 | C508-V517 WeakPolarHBondContact CA-O 3.31Å; S509-V517 PolarHBondContact N-O 3.13Å; S509-V517 PolarHBondContact O-N 3.45Å; L511-V517 HydrophobicContact CB-CG2 3.69Å; L511-V517 HydrophobicContact CD2-CG2 3.72Å; L511-V517 HydrophobicContact CG-CG2 4.25Å; V517-V519 HydrophobicContact CG1-CG2 4.16Å; V517-I524 HydrophobicContact CG1-CG2 3.72Å; V517-R525 WeakPolarHBondContact CA-O 3.43Å; V517-H526 HydrophobicContact CG2-CB 4.46Å |
| 518 | Q | 95.1 | Very high | 92.3 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 122.6 | 170.2 | -176.5 | -172 | 11.2 | 0 | 0 | 109.2 | F499 L500 T505 S507 R525 | F499-Q518 HydrophobicContact CD1-CB 3.79Å; F499-Q518 HydrophobicContact CD1-CG 4.02Å; F499-Q518 HydrophobicContact CE1-CB 3.98Å; L500-Q518 PolarHBondContact O-NE2 2.95Å; T505-Q518 HydrophobicContact CG2-CG 3.77Å; T505-Q518 PolarHBondContact OG1-NE2 2.88Å; S507-Q518 WeakPolarHBondContact O-CA 3.42Å; Q518-R525 HydrophobicContact CB-CB 4.29Å; Q518-R525 PolarHBondContact N-O 2.95Å; Q518-R525 PolarHBondContact O-N 2.9Å |
| 519 | V | 95.9 | Very high | 91.8 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 130.8 | 172.7 | -174.5 | 0 | 0 | 0 | 0 | 108.6 | L506 S507 V517 I524 I544 C547 V549 I556 | L506-V519 HydrophobicContact CB-CB 4.49Å; L506-V519 HydrophobicContact CB-CG1 4.35Å; L506-V519 HydrophobicContact CD1-CG1 4.36Å; L506-V519 PolarHBondContact N-O 3Å; S507-V519 PolarHBondContact N-O 3.46Å; S507-V519 PolarHBondContact O-N 2.85Å; V517-V519 HydrophobicContact CG1-CG2 4.16Å; V519-I524 HydrophobicContact CG1-CG1 4.42Å; V519-I524 HydrophobicContact CG2-CG1 4.42Å; V519-I524 HydrophobicContact CG2-CG2 4.45Å; V519-I544 HydrophobicContact CG1-CD1 3.96Å; V519-I544 HydrophobicContact CG1-CG2 4.28Å; V519-C547 HydrophobicContact CB-CB 4.41Å; V519-C547 HydrophobicContact CG1-CB 3.9Å; V519-C547 HydrophobicContact CG2-CB 4.47Å; V519-V549 HydrophobicContact CG2-CG1 4.36Å; V519-I556 HydrophobicContact CG1-CG2 4.25Å |
| 520 | Y | 95.1 | Very high | 91.2 | Very high | 4 Ų | 4 | 31.8 Ų | 31.8 | 2% | 0.016 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 163.7 | 179.3 | 58.5 | -75.5 | 0 | 0 | 0 | 109.3 | L500 P504 D522 G523 R525 E535 | L500-Y520 HydrophobicContact CD2-CD2 4.28Å; L500-Y520 HydrophobicContact CD2-CE2 4.09Å; P504-Y520 WeakPolarHBondContact O-CB 3.39Å; Y520-D522 HydrophobicContact CD2-CB 3.94Å; Y520-D522 HydrophobicContact CE2-CB 3.78Å; Y520-D522 PolarHBondContact O-N 2.63Å; Y520-G523 WeakPolarHBondContact CD1-O 3.39Å; Y520-G523 VanDerWaalsContact CE1-C 3.43Å; Y520-G523 WeakPolarHBondContact CE1-O 3.46Å; Y520-G523 PolarHBondContact N-O 2.73Å; Y520-G523 PolarHBondContact O-N 3.15Å; Y520-G523 VanDerWaalsContact O-N 3.07Å; Y520-R525 HydrophobicContact CE1-CB 3.83Å; Y520-E535 VanDerWaalsContact OH-CD 3.3Å; Y520-E535 WeakPolarHBondContact OH-CG 3.39Å; Y520-E535 PolarHBondContact OH-OE1 2.95Å |
| 521 | P | 93.3 | Very high | 90.7 | Very high | 32 Ų | 32 | 36.9 Ų | 36.9 | 21% | 0.208 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | -30.8 | -171.1 | -29.8 | 37.1 | 0 | 0 | 0 | 115 | P504 L506 T543 I544 | P504-P521 HydrophobicContact CG-CG 4.11Å; P504-P521 VanDerWaalsContact O-CD 3.23Å; P504-P521 WeakPolarHBondContact O-CD 3.47Å; L506-P521 HydrophobicContact CD1-CG 4.3Å; P521-T543 CarbonylContact O-C 3.58Å; P521-T543 WeakPolarHBondContact O-CA 3.29Å; P521-T543 WeakPolarHBondContact O-CB 3.3Å; P521-I544 PolarHBondContact O-N 2.88Å |
| 522 | D | 93.4 | Very high | 90.4 | Very high | 86 Ų | 86 | 43.4 Ų | 43.4 | 46% | 0.46 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.1 | -9.7 | -177.1 | -61.1 | -38 | 0 | 0 | 0 | 113.7 | Y520 T538 | Y520-D522 HydrophobicContact CD2-CB 3.94Å; Y520-D522 HydrophobicContact CE2-CB 3.78Å; Y520-D522 PolarHBondContact O-N 2.63Å; D522-T538 WeakPolarHBondContact O-CB 3.5Å; D522-T538 WeakPolarHBondContact O-CG2 3.34Å; D522-T538 PolarHBondContact O-N 2.96Å; D522-T538 PolarHBondContact O-OG1 3.42Å |
| 523 | G | 94.1 | Very high | 90.5 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 172.4 | -170.7 | -175.7 | 0 | 0 | 0 | 0 | 0 | 117 | Y520 W536 | Y520-G523 WeakPolarHBondContact CD1-O 3.39Å; Y520-G523 VanDerWaalsContact CE1-C 3.43Å; Y520-G523 WeakPolarHBondContact CE1-O 3.46Å; Y520-G523 PolarHBondContact N-O 2.73Å; Y520-G523 PolarHBondContact O-N 3.15Å; Y520-G523 VanDerWaalsContact O-N 3.07Å; G523-W536 CarbonylContact C-O 3.45Å; G523-W536 WeakPolarHBondContact CA-O 3.42Å |
| 524 | I | 95 | Very high | 90.7 | Very high | 4 Ų | 4 | 42.6 Ų | 42.6 | 2% | 0.021 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 131.9 | 173.1 | -55.8 | 174.6 | 0 | 0 | 0 | 108.1 | V517 V519 E535 W536 I544 V554 I556 F566 | V517-I524 HydrophobicContact CG1-CG2 3.72Å; V519-I524 HydrophobicContact CG1-CG1 4.42Å; V519-I524 HydrophobicContact CG2-CG1 4.42Å; V519-I524 HydrophobicContact CG2-CG2 4.45Å; I524-E535 WeakPolarHBondContact O-CA 3.4Å; I524-W536 HydrophobicContact CB-CB 4.28Å; I524-W536 HydrophobicContact CD1-CE3 4.35Å; I524-W536 HydrophobicContact CG1-CE3 4.17Å; I524-W536 PolarHBondContact N-O 2.74Å; I524-W536 PolarHBondContact O-N 3.47Å; I524-I544 HydrophobicContact CG1-CD1 4.16Å; I524-V554 HydrophobicContact CD1-CG1 4.11Å; I524-I556 HydrophobicContact CD1-CD1 4.1Å; I524-I556 HydrophobicContact CD1-CG2 3.96Å; I524-I556 HydrophobicContact CG1-CG2 4.47Å; I524-F566 HydrophobicContact CD1-CD2 3.88Å; I524-F566 HydrophobicContact CD1-CE2 3.52Å; I524-F566 HydrophobicContact CD1-CZ 3.96Å |
| 525 | R | 93.8 | Very high | 90.7 | Very high | 51 Ų | 51 | 44.2 Ų | 44.2 | 19% | 0.192 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 116.6 | 175.7 | -170.5 | 175.8 | -167 | 171.5 | 5.6 | 109.2 | G498 L500 V517 Q518 Y520 I527 V533 | G498-R525 PolarHBondContact O-NE 3.38Å; G498-R525 PolarHBondContact O-NH1 3.31Å; G498-R525 PolarHBondContact O-NH2 3.31Å; L500-R525 VanDerWaalsContact CA-NH1 3.34Å; L500-R525 VanDerWaalsContact CB-NH1 3.31Å; V517-R525 WeakPolarHBondContact CA-O 3.43Å; Q518-R525 HydrophobicContact CB-CB 4.29Å; Q518-R525 PolarHBondContact N-O 2.95Å; Q518-R525 PolarHBondContact O-N 2.9Å; Y520-R525 HydrophobicContact CE1-CB 3.83Å; R525-I527 HydrophobicContact CG-CG1 4.15Å; R525-V533 HydrophobicContact CG-CG1 3.51Å |
| 526 | H | 92.6 | Very high | 90.9 | Very high | 5 Ų | 5 | 46.5 Ų | 46.5 | 2% | 0.023 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 118 | 177.7 | 174.8 | -135 | 0 | 0 | 0 | 109.4 | A515 V517 V533 N534 G572 | A515-H526 VanDerWaalsContact CB-NE2 3.33Å; A515-H526 WeakPolarHBondContact CB-NE2 3.26Å; V517-H526 HydrophobicContact CG2-CB 4.46Å; H526-V533 CarbonylContact O-C 3.51Å; H526-V533 WeakPolarHBondContact O-CA 3.44Å; H526-N534 HydrophobicContact CB-CB 4.32Å; H526-N534 PolarHBondContact N-O 2.94Å; H526-N534 PolarHBondContact O-N 3.03Å; H526-G572 PolarHBondContact CE1-O 2.71Å; H526-G572 VanDerWaalsContact CE1-O 3.3Å |
| 527 | I | 91.4 | Very high | 90.8 | Very high | 6 Ų | 6 | 52.8 Ų | 52.8 | 3% | 0.031 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 112.5 | -172.3 | -52.3 | 163.3 | 0 | 0 | 0 | 107.6 | G498 F499 A515 L516 R525 R532 V533 | G498-I527 VanDerWaalsContact C-CD1 3.48Å; G498-I527 WeakPolarHBondContact O-CD1 3.28Å; F499-I527 HydrophobicContact CD1-CD1 4.1Å; F499-I527 HydrophobicContact CE1-CD1 4.31Å; F499-I527 HydrophobicContact CG-CD1 4.26Å; A515-I527 CarbonylContact C-O 3.59Å; A515-I527 WeakPolarHBondContact CA-O 3.44Å; L516-I527 HydrophobicContact CB-CB 4.23Å; L516-I527 PolarHBondContact N-O 3.3Å; L516-I527 PolarHBondContact O-N 3.38Å; R525-I527 HydrophobicContact CG-CG1 4.15Å; I527-R532 WeakPolarHBondContact CA-O 3.25Å; I527-V533 HydrophobicContact CG1-CG2 4.38Å |
| 528 | R | 86.5 | Confident | 90.7 | Very high | 46 Ų | 46 | 53.9 Ų | 53.9 | 17% | 0.174 | 26% | 0.262 | C | S | . | . | trans | -82.7 | 162.8 | 176.3 | -68.7 | -177.4 | 167.9 | -148.3 | -9.3 | 111.2 | D530 K531 R532 S571 G572 | R528-D530 WeakPolarHBondContact CB-OD1 3.14Å; R528-D530 PolarHBondContact O-N 2.92Å; R528-D530 VanDerWaalsContact O-N 3.13Å; R528-K531 WeakPolarHBondContact O-CA 3.25Å; R528-K531 PolarHBondContact O-N 2.84Å; R528-R532 PolarHBondContact N-O 2.85Å; R528-S571 PolarHBondContact NH2-O 3.29Å; R528-G572 PolarHBondContact NH2-O 3.36Å | ||
| 529 | A | 82.5 | Confident | 90.4 | Very high | 63 Ų | 63 | 55.7 Ų | 55.7 | 52% | 0.521 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57 | -28.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | D514 K531 | D514-A529 HydrophobicContact CB-CB 3.95Å; D514-A529 WeakPolarHBondContact OD2-CB 3.39Å; A529-K531 PolarHBondContact O-N 2.84Å; A529-K531 VanDerWaalsContact O-N 3.17Å |
| 530 | D | 82 | Confident | 90 | Very high | 88 Ų | 88 | 59.4 Ų | 59.4 | 47% | 0.471 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.6 | 15.8 | 174.3 | 66 | 6.7 | 0 | 0 | 0 | 114.3 | R528 R532 | R528-D530 WeakPolarHBondContact CB-OD1 3.14Å; R528-D530 PolarHBondContact O-N 2.92Å; R528-D530 VanDerWaalsContact O-N 3.13Å; D530-R532 PolarHBondContact O-N 2.83Å; D530-R532 VanDerWaalsContact O-N 3.16Å; D530-R532 VanDerWaalsContact OD1-CB 3.23Å; D530-R532 WeakPolarHBondContact OD1-CB 3.13Å; D530-R532 VanDerWaalsContact OD1-CG 3.31Å; D530-R532 WeakPolarHBondContact OD1-CG 3.28Å; D530-R532 PolarHBondContact OD1-N 3.36Å; D530-R532 VanDerWaalsContact OD1-N 3.13Å; D530-R532 IonicContact OD1-NE 3.99Å; D530-R532 PolarHBondContact OD1-NE 3.46Å; D530-R532 VanDerWaalsContact OD1-NE 3.13Å; D530-R532 IonicContact OD1-NH2 2.65Å; D530-R532 IonicContact OD2-CZ 2.64Å; D530-R532 IonicContact OD2-NE 3.2Å; D530-R532 PolarHBondContact OD2-NE 3.46Å; D530-R532 IonicContact OD2-NH2 2.99Å; D530-R532 PolarHBondContact OD2-NH2 2.89Å |
| 531 | K | 81.8 | Confident | 89.6 | Confident | 139 Ų | 139 | 69.3 Ų | 69.3 | 60% | 0.604 | 36% | 0.355 | S | S | * | . | trans | 60.6 | 13.7 | -177.2 | -58.1 | -166.5 | 175.2 | -157.2 | 0 | 114.3 | D496 R528 A529 | D496-K531 PolarHBondContact O-NZ 2.72Å; D496-K531 IonicContact OD2-NZ 2.66Å; D496-K531 PolarHBondContact OD2-NZ 2.81Å; D496-K531 VanDerWaalsContact OD2-NZ 3.15Å; R528-K531 WeakPolarHBondContact O-CA 3.25Å; R528-K531 PolarHBondContact O-N 2.84Å; A529-K531 PolarHBondContact O-N 2.84Å; A529-K531 VanDerWaalsContact O-N 3.17Å | ||
| 532 | R | 85.5 | Confident | 89.6 | Confident | 137 Ų | 137 | 70.7 Ų | 70.7 | 52% | 0.517 | 36% | 0.358 | S | S | . | . | trans | -70.4 | 135 | 169.3 | -72 | -174.8 | -68.6 | -179.9 | -11.2 | 110.2 | I527 R528 D530 | I527-R532 WeakPolarHBondContact CA-O 3.25Å; R528-R532 PolarHBondContact N-O 2.85Å; D530-R532 PolarHBondContact O-N 2.83Å; D530-R532 VanDerWaalsContact O-N 3.16Å; D530-R532 VanDerWaalsContact OD1-CB 3.23Å; D530-R532 WeakPolarHBondContact OD1-CB 3.13Å; D530-R532 VanDerWaalsContact OD1-CG 3.31Å; D530-R532 WeakPolarHBondContact OD1-CG 3.28Å; D530-R532 PolarHBondContact OD1-N 3.36Å; D530-R532 VanDerWaalsContact OD1-N 3.13Å; D530-R532 IonicContact OD1-NE 3.99Å; D530-R532 PolarHBondContact OD1-NE 3.46Å; D530-R532 VanDerWaalsContact OD1-NE 3.13Å; D530-R532 IonicContact OD1-NH2 2.65Å; D530-R532 IonicContact OD2-CZ 2.64Å; D530-R532 IonicContact OD2-NE 3.2Å; D530-R532 PolarHBondContact OD2-NE 3.46Å; D530-R532 IonicContact OD2-NH2 2.99Å; D530-R532 PolarHBondContact OD2-NH2 2.89Å | ||
| 533 | V | 88.4 | Confident | 89.6 | Confident | 54 Ų | 54 | 69.1 Ų | 69.1 | 33% | 0.327 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 120.1 | -179.1 | 179 | 0 | 0 | 0 | 0 | 109.1 | R525 H526 I527 | R525-V533 HydrophobicContact CG-CG1 3.51Å; H526-V533 CarbonylContact O-C 3.51Å; H526-V533 WeakPolarHBondContact O-CA 3.44Å; I527-V533 HydrophobicContact CG1-CG2 4.38Å |
| 534 | N | 89.5 | Confident | 89.6 | Confident | 84 Ų | 84 | 69.3 Ų | 69.3 | 45% | 0.449 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 123.3 | 167.3 | -68.5 | -13.2 | 0 | 0 | 0 | 108.5 | H526 | H526-N534 HydrophobicContact CB-CB 4.32Å; H526-N534 PolarHBondContact N-O 2.94Å; H526-N534 PolarHBondContact O-N 3.03Å |
| 535 | E | 90.3 | Very high | 89.5 | Confident | 109 Ų | 109 | 71.9 Ų | 71.9 | 51% | 0.509 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 123.6 | -178.8 | -162.6 | -175.4 | 169.7 | 0 | 0 | 109.7 | Y520 I524 | Y520-E535 VanDerWaalsContact OH-CD 3.3Å; Y520-E535 WeakPolarHBondContact OH-CG 3.39Å; Y520-E535 PolarHBondContact OH-OE1 2.95Å; I524-E535 WeakPolarHBondContact O-CA 3.4Å |
| 536 | W | 93.7 | Very high | 89.6 | Confident | 52 Ų | 52 | 74.1 Ų | 74.1 | 20% | 0.197 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 122.6 | 170.4 | -178.1 | 96.6 | 0 | 0 | 0 | 108.4 | G523 I524 T538 P539 I544 I556 V564 F566 E576 | G523-W536 CarbonylContact C-O 3.45Å; G523-W536 WeakPolarHBondContact CA-O 3.42Å; I524-W536 HydrophobicContact CB-CB 4.28Å; I524-W536 HydrophobicContact CD1-CE3 4.35Å; I524-W536 HydrophobicContact CG1-CE3 4.17Å; I524-W536 PolarHBondContact N-O 2.74Å; I524-W536 PolarHBondContact O-N 3.47Å; W536-T538 HydrophobicContact CZ3-CG2 4.1Å; W536-P539 HydrophobicContact CH2-CG 4Å; W536-P539 HydrophobicContact CZ2-CG 3.93Å; W536-I544 HydrophobicContact CZ3-CD1 4.27Å; W536-I556 HydrophobicContact CE3-CD1 4.38Å; W536-I556 HydrophobicContact CH2-CD1 3.59Å; W536-I556 HydrophobicContact CZ3-CD1 3.5Å; W536-I556 VanDerWaalsContact CZ3-CD1 3.5Å; W536-V564 HydrophobicContact CZ2-CG1 4.47Å; W536-F566 AromaticContact CD1-CE1 3.89Å; W536-F566 HydrophobicContact CD2-CE1 4.39Å; W536-F566 AromaticContact CD2-CZ 3.87Å; W536-F566 HydrophobicContact CD2-CZ 3.87Å; W536-F566 AromaticContact CE2-CZ 3.55Å; W536-F566 HydrophobicContact CE3-CZ 4.37Å; W536-F566 HydrophobicContact CG-CE1 4.29Å; W536-F566 HydrophobicContact CG-CZ 4.23Å; W536-F566 HydrophobicContact CH2-CZ 4.28Å; W536-F566 AromaticContact CZ2-CZ 3.79Å; W536-F566 HydrophobicContact CZ2-CZ 3.79Å; W536-F566 AromaticContact NE1-CE1 3.74Å; W536-F566 AromaticContact NE1-CZ 3.69Å; W536-E576 PolarHBondContact NE1-OE2 2.94Å; W536-E576 VanDerWaalsContact NE1-OE2 3.1Å |
| 537 | K | 92.4 | Very high | 89.7 | Confident | 148 Ų | 148 | 75 Ų | 75 | 64% | 0.643 | 38% | 0.383 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 143.5 | -179.9 | -66.1 | -173.2 | 178.5 | -175 | 0 | 110.7 | ||
| 538 | T | 92.3 | Very high | 89.9 | Confident | 23 Ų | 23 | 75.1 Ų | 75.1 | 14% | 0.141 | 39% | 0.385 | C | S | . | . | P | Polyproline II helix | trans | -57.5 | 136.4 | 175.8 | 42.1 | 0 | 0 | 0 | 0 | 112.6 | D522 W536 G540 K542 I544 L558 | D522-T538 WeakPolarHBondContact O-CB 3.5Å; D522-T538 WeakPolarHBondContact O-CG2 3.34Å; D522-T538 PolarHBondContact O-N 2.96Å; D522-T538 PolarHBondContact O-OG1 3.42Å; W536-T538 HydrophobicContact CZ3-CG2 4.1Å; T538-G540 PolarHBondContact O-N 3Å; T538-K542 WeakPolarHBondContact CB-O 3.46Å; T538-K542 PolarHBondContact OG1-O 2.81Å; T538-I544 HydrophobicContact CG2-CD1 4.12Å; T538-I544 HydrophobicContact CG2-CG1 3.53Å; T538-L558 HydrophobicContact CG2-CD2 4.01Å |
| 539 | P | 89 | Confident | 90.2 | Very high | 38 Ų | 38 | 74.4 Ų | 74.4 | 25% | 0.247 | 39% | 0.386 | C | S | . | . | S | Bend | trans | -65.1 | 120.8 | 178.3 | -24.7 | 32.9 | 0 | 0 | 0 | 112.8 | W536 K541 K542 L558 | W536-P539 HydrophobicContact CH2-CG 4Å; W536-P539 HydrophobicContact CZ2-CG 3.93Å; P539-K541 PolarHBondContact O-N 3.01Å; P539-K542 PolarHBondContact O-N 2.84Å; P539-L558 HydrophobicContact CG-CD1 4.43Å |
| 540 | G | 86.9 | Confident | 90.6 | Very high | 78 Ų | 78 | 71.8 Ų | 71.8 | 80% | 0.804 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.6 | -125 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | T538 | T538-G540 PolarHBondContact O-N 3Š|
| 541 | K | 88.2 | Confident | 91.1 | Very high | 213 Ų | 213 | 71.1 Ų | 71.1 | 93% | 0.926 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.1 | 10.7 | 177.2 | -64.2 | -174 | 178.3 | -177.4 | 0 | 112.6 | P539 | P539-K541 PolarHBondContact O-N 3.01Š|
| 542 | K | 91.4 | Very high | 91.5 | Very high | 61 Ų | 61 | 66.6 Ų | 66.6 | 27% | 0.265 | 34% | 0.336 | S | S | . | . | trans | -77.8 | 151 | 178.4 | -64 | -169.5 | 175.3 | -170.3 | 0 | 109.2 | T538 P539 L558 T559 E562 | T538-K542 WeakPolarHBondContact CB-O 3.46Å; T538-K542 PolarHBondContact OG1-O 2.81Å; P539-K542 PolarHBondContact O-N 2.84Å; K542-L558 HydrophobicContact CB-CB 4.4Å; K542-L558 HydrophobicContact CD-CB 4.21Å; K542-L558 HydrophobicContact CD-CD1 4.47Å; K542-T559 WeakPolarHBondContact CA-OG1 3.31Å; K542-T559 WeakPolarHBondContact CB-OG1 3.28Å; K542-T559 WeakPolarHBondContact CG-OG1 3.46Å; K542-E562 IonicContact NZ-OE2 3.89Å; K542-E562 PolarHBondContact NZ-OE2 3.44Å | ||
| 543 | T | 93.9 | Very high | 92 | Very high | 52 Ų | 52 | 60.1 Ų | 60.1 | 32% | 0.319 | 31% | 0.312 | S | S | . | . | trans | -117.9 | 157 | 170.8 | 52.9 | 0 | 0 | 0 | 0 | 109.9 | P521 V545 L558 T559 | P521-T543 CarbonylContact O-C 3.58Å; P521-T543 WeakPolarHBondContact O-CA 3.29Å; P521-T543 WeakPolarHBondContact O-CB 3.3Å; T543-V545 PolarHBondContact O-N 3.14Å; T543-L558 WeakPolarHBondContact O-CA 3.32Å; T543-T559 PolarHBondContact O-N 2.82Å; T543-T559 VanDerWaalsContact O-N 3.07Å | ||
| 544 | I | 95.3 | Very high | 92.3 | Very high | 5 Ų | 5 | 57.5 Ų | 57.5 | 3% | 0.026 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 123.1 | 172 | -53.4 | -179.3 | 0 | 0 | 0 | 108 | L506 V519 P521 I524 W536 T538 R546 I556 L558 | L506-I544 HydrophobicContact CD1-CB 4Å; L506-I544 HydrophobicContact CD1-CG2 3.85Å; V519-I544 HydrophobicContact CG1-CD1 3.96Å; V519-I544 HydrophobicContact CG1-CG2 4.28Å; P521-I544 PolarHBondContact O-N 2.88Å; I524-I544 HydrophobicContact CG1-CD1 4.16Å; W536-I544 HydrophobicContact CZ3-CD1 4.27Å; T538-I544 HydrophobicContact CG2-CD1 4.12Å; T538-I544 HydrophobicContact CG2-CG1 3.53Å; I544-R546 WeakPolarHBondContact CG2-O 3.46Å; I544-I556 HydrophobicContact CD1-CB 4.45Å; I544-I556 HydrophobicContact CD1-CD1 3.72Å; I544-I556 HydrophobicContact CD1-CG2 4.31Å; I544-I556 HydrophobicContact CG1-CD1 4.09Å; I544-I556 HydrophobicContact CG2-CB 4.02Å; I544-I556 HydrophobicContact CG2-CG2 4.32Å; I544-L558 HydrophobicContact CG1-CD2 3.88Å |
| 545 | V | 93 | Very high | 92.7 | Very high | 58 Ų | 58 | 53.5 Ų | 53.5 | 35% | 0.352 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | -42.7 | 178.7 | -175.4 | 0 | 0 | 0 | 0 | 110.3 | T543 A557 T559 | T543-V545 PolarHBondContact O-N 3.14Å; V545-A557 PolarHBondContact N-O 2.64Å; V545-T559 HydrophobicContact CG2-CG2 3.63Å |
| 546 | R | 94.6 | Very high | 93 | Very high | 97 Ų | 97 | 48.3 Ų | 48.3 | 37% | 0.366 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 157.1 | -179.3 | -65 | -60.4 | -177.2 | -153.1 | 11.2 | 111.2 | I544 A557 V588 M590 | I544-R546 WeakPolarHBondContact CG2-O 3.46Å; R546-A557 HydrophobicContact CB-CB 4.36Å; R546-A557 PolarHBondContact N-O 2.81Å; R546-A557 PolarHBondContact O-N 2.85Å; R546-V588 WeakPolarHBondContact CD-O 3.49Å; R546-V588 PolarHBondContact NE-O 3.48Å; R546-M590 VanDerWaalsContact C-CE 3.46Å; R546-M590 HydrophobicContact CB-CE 3.92Å; R546-M590 WeakPolarHBondContact O-CE 3.46Å |
| 547 | C | 95.6 | Very high | 93.1 | Very high | 24 Ų | 24 | 45.9 Ų | 45.9 | 16% | 0.162 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 156.6 | 174.1 | 65.4 | 0 | 0 | 0 | 0 | 110.5 | S507 V519 V555 I556 M590 | S507-C547 WeakPolarHBondContact CB-SG 3.48Å; V519-C547 HydrophobicContact CB-CB 4.41Å; V519-C547 HydrophobicContact CG1-CB 3.9Å; V519-C547 HydrophobicContact CG2-CB 4.47Å; C547-V555 CarbonylContact C-O 3.59Å; C547-V555 VanDerWaalsContact CA-O 3.31Å; C547-V555 WeakPolarHBondContact CA-O 3.3Å; C547-I556 HydrophobicContact CB-CG2 3.95Å; C547-M590 VanDerWaalsContact CA-CE 3.41Å |
| 548 | A | 95 | Very high | 93.2 | Very high | 8 Ų | 8 | 39 Ų | 39 | 7% | 0.066 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 124.9 | 170 | 0 | 0 | 0 | 0 | 0 | 107.6 | V555 M590 L592 L605 | A548-V555 PolarHBondContact N-O 3.4Å; A548-V555 PolarHBondContact O-N 3.46Å; A548-M590 HydrophobicContact CB-CB 3.84Å; A548-L592 HydrophobicContact CB-CB 3.95Å; A548-L605 HydrophobicContact CB-CD1 4.46Å |
| 549 | V | 93.5 | Very high | 93.2 | Very high | 32 Ų | 32 | 40.4 Ų | 40.4 | 19% | 0.194 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 146.3 | -175 | -62.1 | 0 | 0 | 0 | 0 | 109.4 | S507 V519 V554 | S507-V549 VanDerWaalsContact OG-CG2 3.31Å; S507-V549 WeakPolarHBondContact OG-CG2 3.45Å; V519-V549 HydrophobicContact CG2-CG1 4.36Å; V549-V554 HydrophobicContact CG1-CG1 4.15Å; V549-V554 HydrophobicContact CG1-CG2 4.26Å |
| 550 | N | 91.3 | Very high | 93.1 | Very high | 8 Ų | 8 | 40.8 Ų | 40.8 | 4% | 0.043 | 23% | 0.231 | C | C | . | . | trans | -136.4 | -166 | 164.1 | 75.4 | 13.7 | 0 | 0 | 0 | 109.4 | R552 Q553 L592 A593 | N550-R552 PolarHBondContact O-N 3.37Å; N550-R552 PolarHBondContact OD1-N 3.4Å; N550-Q553 PolarHBondContact N-O 2.66Å; N550-Q553 PolarHBondContact ND2-OE1 3.34Å; N550-Q553 WeakPolarHBondContact OD1-CA 3.5Å; N550-Q553 VanDerWaalsContact OD1-CB 3.23Å; N550-Q553 WeakPolarHBondContact OD1-CB 3.29Å; N550-Q553 PolarHBondContact OD1-N 2.85Å; N550-Q553 PolarHBondContact OD1-O 2.8Å; N550-L592 HydrophobicContact CB-CD2 4.06Å; N550-L592 HydrophobicContact CB-CG 4.21Å; N550-L592 WeakPolarHBondContact ND2-CD2 3.31Å; N550-A593 PolarHBondContact ND2-O 3.18Å | ||
| 551 | Q | 90.8 | Very high | 93.2 | Very high | 74 Ų | 74 | 37 Ų | 37 | 35% | 0.346 | 19% | 0.193 | S | C | . | . | S | Bend | trans | -62.5 | -25.1 | -175.6 | -61.2 | 79.9 | 5.2 | 0 | 0 | 114.2 | L511 G512 N594 | L511-Q551 WeakPolarHBondContact CA-O 3.41Å; G512-Q551 PolarHBondContact N-O 3.2Å; Q551-N594 VanDerWaalsContact NE2-CG 3.33Å; Q551-N594 PolarHBondContact NE2-OD1 2.87Å |
| 552 | R | 91.9 | Very high | 93.4 | Very high | 44 Ų | 44 | 28 Ų | 28 | 17% | 0.166 | 15% | 0.154 | C | C | . | . | S | Bend | trans | -139.8 | -4.5 | -172.4 | -63.2 | -164.3 | 62.5 | -169.7 | -8.1 | 115.3 | N550 M568 V595 Q600 | N550-R552 PolarHBondContact O-N 3.37Å; N550-R552 PolarHBondContact OD1-N 3.4Å; R552-M568 HydrophobicContact CG-CE 4.26Å; R552-M568 PolarHBondContact NH2-O 2.92Å; R552-M568 WeakPolarHBondContact O-CB 3.35Å; R552-M568 PolarHBondContact O-N 2.9Å; R552-V595 HydrophobicContact CB-CG2 4.47Å; R552-Q600 WeakPolarHBondContact CD-O 3.37Å |
| 553 | Q | 94.6 | Very high | 93.6 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 139.5 | -173 | -64 | 171.2 | -70.6 | 0 | 0 | 109.4 | N550 Y565 F566 L592 R601 S602 | N550-Q553 PolarHBondContact N-O 2.66Å; N550-Q553 PolarHBondContact ND2-OE1 3.34Å; N550-Q553 WeakPolarHBondContact OD1-CA 3.5Å; N550-Q553 VanDerWaalsContact OD1-CB 3.23Å; N550-Q553 WeakPolarHBondContact OD1-CB 3.29Å; N550-Q553 PolarHBondContact OD1-N 2.85Å; N550-Q553 PolarHBondContact OD1-O 2.8Å; Q553-Y565 HydrophobicContact CB-CE2 3.93Å; Q553-Y565 HydrophobicContact CG-CE2 4.04Å; Q553-Y565 WeakPolarHBondContact CG-OH 3.48Å; Q553-Y565 PolarHBondContact NE2-OH 2.55Å; Q553-F566 WeakPolarHBondContact CA-O 3.26Å; Q553-L592 HydrophobicContact CB-CD2 3.77Å; Q553-R601 HydrophobicContact CG-CB 4.47Å; Q553-S602 PolarHBondContact NE2-O 3.45Å; Q553-S602 VanDerWaalsContact NE2-O 3.16Å; Q553-S602 PolarHBondContact OE1-O 2.98Å |
| 554 | V | 96.3 | Very high | 93.7 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 119.8 | 176.4 | 176.2 | 0 | 0 | 0 | 0 | 108.2 | L511 I524 V549 I556 F566 L574 | L511-V554 HydrophobicContact CD1-CG2 4.11Å; I524-V554 HydrophobicContact CD1-CG1 4.11Å; V549-V554 HydrophobicContact CG1-CG1 4.15Å; V549-V554 HydrophobicContact CG1-CG2 4.26Å; V554-I556 HydrophobicContact CG1-CG2 4.2Å; V554-F566 HydrophobicContact CB-CB 4.2Å; V554-F566 HydrophobicContact CG1-CD2 4.48Å; V554-F566 PolarHBondContact N-O 3.32Å; V554-F566 PolarHBondContact O-N 3.26Å; V554-L574 HydrophobicContact CG2-CD1 4.43Å |
| 555 | V | 96.8 | Very high | 93.7 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 131.3 | 175.1 | -178.6 | 0 | 0 | 0 | 0 | 108.5 | C547 A548 Y565 M590 L592 L605 L619 | C547-V555 CarbonylContact C-O 3.59Å; C547-V555 VanDerWaalsContact CA-O 3.31Å; C547-V555 WeakPolarHBondContact CA-O 3.3Å; A548-V555 PolarHBondContact N-O 3.4Å; A548-V555 PolarHBondContact O-N 3.46Å; V555-Y565 HydrophobicContact CG2-CD2 3.7Å; V555-Y565 HydrophobicContact CG2-CE2 4.33Å; V555-M590 HydrophobicContact CG1-CE 4.49Å; V555-M590 HydrophobicContact CG1-SD 4.2Å; V555-L592 HydrophobicContact CG2-CD2 4.41Å; V555-L605 HydrophobicContact CB-CD1 4.29Å; V555-L605 HydrophobicContact CG1-CD1 4.22Å; V555-L605 HydrophobicContact CG1-CD2 3.83Å; V555-L605 HydrophobicContact CG2-CD1 4.19Å; V555-L605 HydrophobicContact CG2-CD2 4.29Å; V555-L619 HydrophobicContact CG2-CD1 4.23Å |
| 556 | I | 96.4 | Very high | 93.8 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 150.1 | 176.2 | 63.3 | 167.6 | 0 | 0 | 0 | 110.8 | V519 I524 W536 I544 C547 V554 L558 L563 V564 F566 | V519-I556 HydrophobicContact CG1-CG2 4.25Å; I524-I556 HydrophobicContact CD1-CD1 4.1Å; I524-I556 HydrophobicContact CD1-CG2 3.96Å; I524-I556 HydrophobicContact CG1-CG2 4.47Å; W536-I556 HydrophobicContact CE3-CD1 4.38Å; W536-I556 HydrophobicContact CH2-CD1 3.59Å; W536-I556 HydrophobicContact CZ3-CD1 3.5Å; W536-I556 VanDerWaalsContact CZ3-CD1 3.5Å; I544-I556 HydrophobicContact CD1-CB 4.45Å; I544-I556 HydrophobicContact CD1-CD1 3.72Å; I544-I556 HydrophobicContact CD1-CG2 4.31Å; I544-I556 HydrophobicContact CG1-CD1 4.09Å; I544-I556 HydrophobicContact CG2-CB 4.02Å; I544-I556 HydrophobicContact CG2-CG2 4.32Å; C547-I556 HydrophobicContact CB-CG2 3.95Å; V554-I556 HydrophobicContact CG1-CG2 4.2Å; I556-L558 HydrophobicContact CD1-CD2 4.44Å; I556-L563 WeakPolarHBondContact O-CA 3.32Å; I556-V564 HydrophobicContact CD1-CB 4.12Å; I556-V564 HydrophobicContact CD1-CG2 4.49Å; I556-V564 HydrophobicContact CG1-CB 3.75Å; I556-V564 HydrophobicContact CG1-CG2 4.39Å; I556-V564 PolarHBondContact N-O 3Å; I556-V564 PolarHBondContact O-N 2.87Å; I556-F566 HydrophobicContact CD1-CE2 3.8Å; I556-F566 HydrophobicContact CD1-CZ 4.44Å; I556-F566 HydrophobicContact CG1-CE2 3.93Å |
| 557 | A | 96.3 | Very high | 93.7 | Very high | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 123.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | V545 R546 E562 L563 V587 M590 | V545-A557 PolarHBondContact N-O 2.64Å; R546-A557 HydrophobicContact CB-CB 4.36Å; R546-A557 PolarHBondContact N-O 2.81Å; R546-A557 PolarHBondContact O-N 2.85Å; A557-E562 WeakPolarHBondContact CA-O 3.42Å; A557-L563 HydrophobicContact CB-CD2 3.7Å; A557-V587 HydrophobicContact CB-CB 3.8Å; A557-V587 HydrophobicContact CB-CG1 3.88Å; A557-V587 HydrophobicContact CB-CG2 4.06Å; A557-M590 HydrophobicContact CB-CE 3.79Å; A557-M590 HydrophobicContact CB-SD 3.88Å |
| 558 | L | 94.8 | Very high | 93.5 | Very high | 3 Ų | 3 | 17 Ų | 17 | 2% | 0.016 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 164.7 | 177.7 | -60 | 168 | 0 | 0 | 0 | 110.9 | T538 P539 K542 T543 I544 I556 G560 G561 E562 V564 | T538-L558 HydrophobicContact CG2-CD2 4.01Å; P539-L558 HydrophobicContact CG-CD1 4.43Å; K542-L558 HydrophobicContact CB-CB 4.4Å; K542-L558 HydrophobicContact CD-CB 4.21Å; K542-L558 HydrophobicContact CD-CD1 4.47Å; T543-L558 WeakPolarHBondContact O-CA 3.32Å; I544-L558 HydrophobicContact CG1-CD2 3.88Å; I556-L558 HydrophobicContact CD1-CD2 4.44Å; L558-G560 PolarHBondContact O-N 2.87Å; L558-G561 PolarHBondContact O-N 3.47Å; L558-E562 HydrophobicContact CB-CB 4.42Å; L558-E562 PolarHBondContact N-O 2.89Å; L558-V564 HydrophobicContact CD1-CG2 3.76Å; L558-V564 HydrophobicContact CG-CG2 4.39Å |
| 559 | T | 91.9 | Very high | 93.2 | Very high | 53 Ų | 53 | 18.4 Ų | 18.4 | 33% | 0.325 | 10% | 0.104 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.3 | 131.5 | 170.2 | 54.2 | 0 | 0 | 0 | 0 | 111.5 | K542 T543 V545 | K542-T559 WeakPolarHBondContact CA-OG1 3.31Å; K542-T559 WeakPolarHBondContact CB-OG1 3.28Å; K542-T559 WeakPolarHBondContact CG-OG1 3.46Å; T543-T559 PolarHBondContact O-N 2.82Å; T543-T559 VanDerWaalsContact O-N 3.07Å; V545-T559 HydrophobicContact CG2-CG2 3.63Å |
| 560 | G | 86.3 | Confident | 92.8 | Very high | 46 Ų | 46 | 22.4 Ų | 22.4 | 47% | 0.474 | 13% | 0.131 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 92.5 | 12.8 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | L558 E562 D586 | L558-G560 PolarHBondContact O-N 2.87Å; G560-E562 PolarHBondContact O-N 2.61Å; G560-D586 WeakPolarHBondContact CA-OD1 3.44Å; G560-D586 PolarHBondContact N-OD1 2.89Å; G560-D586 VanDerWaalsContact N-OD1 3.13Å |
| 561 | G | 88.7 | Confident | 92.5 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 15% | 0.154 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 73.5 | 22 | 173.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | L558 M583 D586 | L558-G561 PolarHBondContact O-N 3.47Å; G561-M583 WeakPolarHBondContact O-CB 3.41Å; G561-M583 PolarHBondContact O-N 2.9Å; G561-D586 PolarHBondContact N-OD1 2.9Å |
| 562 | E | 93.8 | Very high | 92.2 | Very high | 23 Ų | 23 | 23.1 Ų | 23.1 | 11% | 0.107 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 122.2 | 178.5 | -173.6 | -175.5 | 176.3 | 0 | 0 | 110.6 | K542 A557 L558 G560 R580 E582 | K542-E562 IonicContact NZ-OE2 3.89Å; K542-E562 PolarHBondContact NZ-OE2 3.44Å; A557-E562 WeakPolarHBondContact CA-O 3.42Å; L558-E562 HydrophobicContact CB-CB 4.42Å; L558-E562 PolarHBondContact N-O 2.89Å; G560-E562 PolarHBondContact O-N 2.61Å; E562-R580 HydrophobicContact CG-CB 4.13Å; E562-R580 WeakPolarHBondContact OE1-CD 3.49Å; E562-R580 IonicContact OE1-NE 3.98Å; E562-R580 IonicContact OE1-NH1 3.36Å; E562-R580 PolarHBondContact OE1-NH1 3.1Å; E562-E582 HydrophobicContact CB-CG 4.39Å; E562-E582 HydrophobicContact CG-CG 4.43Å |
| 563 | L | 95 | Very high | 92 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 135.5 | 175.1 | -64.7 | -169.6 | 0 | 0 | 0 | 111.7 | I556 A557 R580 K581 M583 V587 M590 L605 V607 I617 L625 | I556-L563 WeakPolarHBondContact O-CA 3.32Å; A557-L563 HydrophobicContact CB-CD2 3.7Å; L563-R580 WeakPolarHBondContact O-CA 3.46Å; L563-K581 PolarHBondContact N-O 3.46Å; L563-K581 PolarHBondContact O-N 3.04Å; L563-M583 HydrophobicContact CD1-CE 3.22Å; L563-M583 HydrophobicContact CG-CE 3.81Å; L563-V587 HydrophobicContact CD2-CG2 4.17Å; L563-M590 HydrophobicContact CD2-SD 3.78Å; L563-L605 HydrophobicContact CD1-CD2 4.23Å; L563-V607 HydrophobicContact CD1-CG2 4.22Å; L563-I617 HydrophobicContact CD1-CD1 4.15Å; L563-L625 HydrophobicContact CD1-CD2 4.43Å |
| 564 | V | 95.6 | Very high | 91.7 | Very high | 1 Ų | 1 | 27.4 Ų | 27.4 | 1% | 0.006 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 128.8 | 170 | -169.3 | 0 | 0 | 0 | 0 | 108.5 | W536 I556 L558 F566 E576 R580 | W536-V564 HydrophobicContact CZ2-CG1 4.47Å; I556-V564 HydrophobicContact CD1-CB 4.12Å; I556-V564 HydrophobicContact CD1-CG2 4.49Å; I556-V564 HydrophobicContact CG1-CB 3.75Å; I556-V564 HydrophobicContact CG1-CG2 4.39Å; I556-V564 PolarHBondContact N-O 3Å; I556-V564 PolarHBondContact O-N 2.87Å; L558-V564 HydrophobicContact CD1-CG2 3.76Å; L558-V564 HydrophobicContact CG-CG2 4.39Å; V564-F566 HydrophobicContact CB-CE2 4.1Å; V564-F566 HydrophobicContact CG1-CD2 4.35Å; V564-F566 HydrophobicContact CG1-CE2 3.56Å; V564-F566 HydrophobicContact CG1-CZ 3.65Å; V564-E576 HydrophobicContact CG1-CG 3.79Å; V564-R580 HydrophobicContact CG2-CG 4.25Å |
| 565 | Y | 95.8 | Very high | 91.5 | Very high | 2 Ų | 2 | 31 Ų | 31 | 1% | 0.008 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 133.5 | -178.6 | 173.2 | -135.9 | 0 | 0 | 0 | 110.3 | Q553 V555 E567 Y577 L619 | Q553-Y565 HydrophobicContact CB-CE2 3.93Å; Q553-Y565 HydrophobicContact CG-CE2 4.04Å; Q553-Y565 WeakPolarHBondContact CG-OH 3.48Å; Q553-Y565 PolarHBondContact NE2-OH 2.55Å; V555-Y565 HydrophobicContact CG2-CD2 3.7Å; V555-Y565 HydrophobicContact CG2-CE2 4.33Å; Y565-E567 HydrophobicContact CE1-CB 4.48Å; Y565-E567 HydrophobicContact CE2-CB 4.47Å; Y565-E567 PolarHBondContact OH-OE2 3.35Å; Y565-Y577 HydrophobicContact CD1-CG 4.26Å; Y565-Y577 PolarHBondContact O-N 2.92Å; Y565-L619 HydrophobicContact CD1-CD2 4.5Å; Y565-L619 HydrophobicContact CE2-CD1 4.34Å; Y565-L619 HydrophobicContact CG-CD2 4.48Å |
| 566 | F | 94.9 | Very high | 91.3 | Very high | 5 Ų | 5 | 34.4 Ų | 34.4 | 2% | 0.022 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 139.6 | 173.9 | -56.8 | -96 | 0 | 0 | 0 | 110.8 | I524 W536 Q553 V554 I556 V564 L574 N575 E576 | I524-F566 HydrophobicContact CD1-CD2 3.88Å; I524-F566 HydrophobicContact CD1-CE2 3.52Å; I524-F566 HydrophobicContact CD1-CZ 3.96Å; W536-F566 AromaticContact CD1-CE1 3.89Å; W536-F566 HydrophobicContact CD2-CE1 4.39Å; W536-F566 AromaticContact CD2-CZ 3.87Å; W536-F566 HydrophobicContact CD2-CZ 3.87Å; W536-F566 AromaticContact CE2-CZ 3.55Å; W536-F566 HydrophobicContact CE3-CZ 4.37Å; W536-F566 HydrophobicContact CG-CE1 4.29Å; W536-F566 HydrophobicContact CG-CZ 4.23Å; W536-F566 HydrophobicContact CH2-CZ 4.28Å; W536-F566 AromaticContact CZ2-CZ 3.79Å; W536-F566 HydrophobicContact CZ2-CZ 3.79Å; W536-F566 AromaticContact NE1-CE1 3.74Å; W536-F566 AromaticContact NE1-CZ 3.69Å; Q553-F566 WeakPolarHBondContact CA-O 3.26Å; V554-F566 HydrophobicContact CB-CB 4.2Å; V554-F566 HydrophobicContact CG1-CD2 4.48Å; V554-F566 PolarHBondContact N-O 3.32Å; V554-F566 PolarHBondContact O-N 3.26Å; I556-F566 HydrophobicContact CD1-CE2 3.8Å; I556-F566 HydrophobicContact CD1-CZ 4.44Å; I556-F566 HydrophobicContact CG1-CE2 3.93Å; V564-F566 HydrophobicContact CB-CE2 4.1Å; V564-F566 HydrophobicContact CG1-CD2 4.35Å; V564-F566 HydrophobicContact CG1-CE2 3.56Å; V564-F566 HydrophobicContact CG1-CZ 3.65Å; F566-L574 HydrophobicContact CB-CD2 3.71Å; F566-L574 HydrophobicContact CB-CG 3.84Å; F566-L574 HydrophobicContact CD1-CD2 4.03Å; F566-L574 HydrophobicContact CD1-CG 4.49Å; F566-L574 HydrophobicContact CG-CD2 3.95Å; F566-L574 HydrophobicContact CG-CG 4.48Å; F566-N575 VanDerWaalsContact CA-O 3.26Å; F566-N575 WeakPolarHBondContact CA-O 3.32Å; F566-E576 HydrophobicContact CD1-CB 3.88Å; F566-E576 HydrophobicContact CD1-CG 4.34Å; F566-E576 HydrophobicContact CE1-CB 3.68Å; F566-E576 HydrophobicContact CE1-CG 3.88Å; F566-E576 HydrophobicContact CZ-CG 4.27Å |
| 567 | E | 93.4 | Very high | 91.2 | Very high | 44 Ų | 44 | 38 Ų | 38 | 21% | 0.206 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 137.4 | 177 | -166.5 | -176.3 | 152.7 | 0 | 0 | 110.5 | Y565 N575 R601 | Y565-E567 HydrophobicContact CE1-CB 4.48Å; Y565-E567 HydrophobicContact CE2-CB 4.47Å; Y565-E567 PolarHBondContact OH-OE2 3.35Å; E567-N575 PolarHBondContact N-O 2.71Å; E567-N575 PolarHBondContact O-N 3.32Å; E567-R601 VanDerWaalsContact CD-NH1 3.27Å; E567-R601 IonicContact OE1-CZ 3.59Å; E567-R601 IonicContact OE1-NH1 3.43Å; E567-R601 PolarHBondContact OE1-NH1 3.49Å; E567-R601 IonicContact OE1-NH2 3.15Å; E567-R601 PolarHBondContact OE1-NH2 2.91Å; E567-R601 IonicContact OE2-CZ 3.83Å; E567-R601 IonicContact OE2-NH1 3.91Å; E567-R601 PolarHBondContact OE2-NH1 3.35Å; E567-R601 IonicContact OE2-NH2 3.5Å; E567-R601 PolarHBondContact OE2-NH2 2.93Å |
| 568 | M | 91.6 | Very high | 90.8 | Very high | 14 Ų | 14 | 44.6 Ų | 44.6 | 7% | 0.069 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 119.3 | 174.5 | -162.9 | -172.5 | 67.8 | 0 | 0 | 110.9 | L511 R552 Q573 L574 | L511-M568 HydrophobicContact CD1-CB 4.48Å; L511-M568 HydrophobicContact CD2-CB 4.09Å; L511-M568 HydrophobicContact CD2-CG 4.02Å; L511-M568 HydrophobicContact CD2-SD 3.75Å; L511-M568 HydrophobicContact CG-CB 4.34Å; L511-M568 HydrophobicContact CG-CG 4.44Å; L511-M568 HydrophobicContact CG-SD 3.76Å; R552-M568 HydrophobicContact CG-CE 4.26Å; R552-M568 PolarHBondContact NH2-O 2.92Å; R552-M568 WeakPolarHBondContact O-CB 3.35Å; R552-M568 PolarHBondContact O-N 2.9Å; M568-Q573 WeakPolarHBondContact CA-O 3.38Å; M568-L574 HydrophobicContact CB-CD1 4.3Å |
| 569 | D | 88.2 | Confident | 90.6 | Very high | 37 Ų | 37 | 49.6 Ų | 49.6 | 20% | 0.198 | 28% | 0.283 | C | S | . | . | trans | -71.9 | 165.3 | 172.2 | 69.6 | 22.4 | 0 | 0 | 0 | 111.9 | S571 G572 Q573 N575 | D569-S571 PolarHBondContact O-N 3.14Å; D569-S571 VanDerWaalsContact OD1-C 3.26Å; D569-S571 VanDerWaalsContact OD1-CA 3.23Å; D569-S571 WeakPolarHBondContact OD1-CA 3.38Å; D569-S571 VanDerWaalsContact OD1-CB 3.31Å; D569-S571 WeakPolarHBondContact OD1-CB 3.4Å; D569-S571 PolarHBondContact OD1-N 2.85Å; D569-S571 PolarHBondContact OD1-OG 2.97Å; D569-S571 PolarHBondContact OD2-OG 2.98Å; D569-S571 VanDerWaalsContact OD2-OG 3.11Å; D569-G572 PolarHBondContact O-N 2.85Å; D569-G572 PolarHBondContact OD1-N 2.81Å; D569-Q573 PolarHBondContact N-O 3.23Å; D569-Q573 PolarHBondContact OD1-N 2.92Å; D569-N575 PolarHBondContact OD2-ND2 3.25Å; D569-N575 VanDerWaalsContact OD2-ND2 3.11Å | ||
| 570 | P | 84.7 | Confident | 90.6 | Very high | 117 Ų | 117 | 51.1 Ų | 51.1 | 76% | 0.76 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | -9.7 | 174.8 | -24.4 | 35.5 | 0 | 0 | 0 | 114.7 | G572 | P570-G572 VanDerWaalsContact C-N 3.31Š|
| 571 | S | 85.9 | Confident | 90.9 | Very high | 76 Ų | 76 | 50.9 Ų | 50.9 | 53% | 0.531 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.5 | 3.4 | 175 | 85.4 | 0 | 0 | 0 | 0 | 113.1 | R528 D569 Q573 | R528-S571 PolarHBondContact NH2-O 3.29Å; D569-S571 PolarHBondContact O-N 3.14Å; D569-S571 VanDerWaalsContact OD1-C 3.26Å; D569-S571 VanDerWaalsContact OD1-CA 3.23Å; D569-S571 WeakPolarHBondContact OD1-CA 3.38Å; D569-S571 VanDerWaalsContact OD1-CB 3.31Å; D569-S571 WeakPolarHBondContact OD1-CB 3.4Å; D569-S571 PolarHBondContact OD1-N 2.85Å; D569-S571 PolarHBondContact OD1-OG 2.97Å; D569-S571 PolarHBondContact OD2-OG 2.98Å; D569-S571 VanDerWaalsContact OD2-OG 3.11Å; S571-Q573 VanDerWaalsContact C-N 3.31Å; S571-Q573 PolarHBondContact O-N 2.79Å |
| 572 | G | 83.8 | Confident | 91.1 | Very high | 20 Ų | 20 | 57.5 Ų | 57.5 | 21% | 0.206 | 30% | 0.3 | C | S | . | . | S | Bend | trans | 73.1 | 18.5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | H526 R528 D569 P570 | H526-G572 PolarHBondContact CE1-O 2.71Å; H526-G572 VanDerWaalsContact CE1-O 3.3Å; R528-G572 PolarHBondContact NH2-O 3.36Å; D569-G572 PolarHBondContact O-N 2.85Å; D569-G572 PolarHBondContact OD1-N 2.81Å; P570-G572 VanDerWaalsContact C-N 3.31Å |
| 573 | Q | 87 | Confident | 91.1 | Very high | 97 Ų | 97 | 57.3 Ų | 57.3 | 45% | 0.453 | 30% | 0.299 | S | S | . | . | trans | -94.7 | 143.7 | 172.7 | -68 | -172.7 | 10.5 | 0 | 0 | 110.6 | M568 D569 S571 | M568-Q573 WeakPolarHBondContact CA-O 3.38Å; D569-Q573 PolarHBondContact N-O 3.23Å; D569-Q573 PolarHBondContact OD1-N 2.92Å; S571-Q573 VanDerWaalsContact C-N 3.31Å; S571-Q573 PolarHBondContact O-N 2.79Å | ||
| 574 | L | 89.1 | Confident | 90.8 | Very high | 38 Ų | 38 | 61 Ų | 61 | 20% | 0.199 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 113.5 | 178 | -148.2 | 83.4 | 0 | 0 | 0 | 109.2 | L511 V554 F566 M568 | L511-L574 HydrophobicContact CD1-CD1 4.41Å; L511-L574 HydrophobicContact CD2-CD1 3.19Å; L511-L574 HydrophobicContact CG-CD1 4.41Å; V554-L574 HydrophobicContact CG2-CD1 4.43Å; F566-L574 HydrophobicContact CB-CD2 3.71Å; F566-L574 HydrophobicContact CB-CG 3.84Å; F566-L574 HydrophobicContact CD1-CD2 4.03Å; F566-L574 HydrophobicContact CD1-CG 4.49Å; F566-L574 HydrophobicContact CG-CD2 3.95Å; F566-L574 HydrophobicContact CG-CG 4.48Å; M568-L574 HydrophobicContact CB-CD1 4.3Å |
| 575 | N | 91.5 | Very high | 90.7 | Very high | 75 Ų | 75 | 62.1 Ų | 62.1 | 40% | 0.401 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 130 | -178.1 | -66.4 | -44.3 | 0 | 0 | 0 | 110.6 | F566 E567 D569 | F566-N575 VanDerWaalsContact CA-O 3.26Å; F566-N575 WeakPolarHBondContact CA-O 3.32Å; E567-N575 PolarHBondContact N-O 2.71Å; E567-N575 PolarHBondContact O-N 3.32Å; D569-N575 PolarHBondContact OD2-ND2 3.25Å; D569-N575 VanDerWaalsContact OD2-ND2 3.11Å |
| 576 | E | 92.9 | Very high | 90.6 | Very high | 72 Ų | 72 | 66.1 Ų | 66.1 | 34% | 0.336 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 133.1 | 173.3 | -171.6 | 177.8 | 157.1 | 0 | 0 | 109.8 | W536 V564 F566 R580 | W536-E576 PolarHBondContact NE1-OE2 2.94Å; W536-E576 VanDerWaalsContact NE1-OE2 3.1Å; V564-E576 HydrophobicContact CG1-CG 3.79Å; F566-E576 HydrophobicContact CD1-CB 3.88Å; F566-E576 HydrophobicContact CD1-CG 4.34Å; F566-E576 HydrophobicContact CE1-CB 3.68Å; F566-E576 HydrophobicContact CE1-CG 3.88Å; F566-E576 HydrophobicContact CZ-CG 4.27Å; E576-R580 IonicContact OE1-CZ 3.32Å; E576-R580 VanDerWaalsContact OE1-CZ 3.32Å; E576-R580 IonicContact OE1-NE 3.01Å; E576-R580 PolarHBondContact OE1-NE 2.88Å; E576-R580 IonicContact OE1-NH2 2.75Å; E576-R580 PolarHBondContact OE1-NH2 2.98Å; E576-R580 IonicContact OE2-NH2 3.89Å |
| 577 | Y | 93.1 | Very high | 90.6 | Very high | 74 Ų | 74 | 66.2 Ų | 66.2 | 29% | 0.29 | 36% | 0.357 | S | S | . | . | trans | -68.6 | 144.7 | 172.5 | -170.2 | -111.3 | 0 | 0 | 0 | 110.8 | Y565 E579 C624 L625 | Y565-Y577 HydrophobicContact CD1-CG 4.26Å; Y565-Y577 PolarHBondContact O-N 2.92Å; Y577-E579 HydrophobicContact CD1-CB 3.99Å; Y577-E579 HydrophobicContact CE1-CB 3.76Å; Y577-E579 PolarHBondContact O-N 2.78Å; Y577-C624 HydrophobicContact CE1-CB 4.17Å; Y577-C624 HydrophobicContact CE2-CB 4.3Å; Y577-L625 HydrophobicContact CD1-CD1 3.76Å; Y577-L625 HydrophobicContact CE1-CD1 4.13Å | ||
| 578 | T | 88.4 | Confident | 90.7 | Very high | 140 Ų | 140 | 65.2 Ų | 65.2 | 86% | 0.859 | 35% | 0.354 | S | S | * | . | S | Bend | trans | -68.5 | -20.1 | -170.4 | 50 | 0 | 0 | 0 | 0 | 114.4 | ||
| 579 | E | 90.8 | Very high | 90.9 | Very high | 107 Ų | 107 | 64.8 Ų | 64.8 | 50% | 0.5 | 35% | 0.353 | S | S | . | . | trans | -112.5 | 143.7 | -178.7 | -167.6 | 174.8 | 178.7 | 0 | 0 | 111.2 | Y577 L625 | Y577-E579 HydrophobicContact CD1-CB 3.99Å; Y577-E579 HydrophobicContact CE1-CB 3.76Å; Y577-E579 PolarHBondContact O-N 2.78Å; E579-L625 WeakPolarHBondContact O-CD1 3.43Å | ||
| 580 | R | 92.5 | Very high | 91.3 | Very high | 85 Ų | 85 | 63.9 Ų | 63.9 | 32% | 0.321 | 35% | 0.347 | S | S | . | . | trans | -118.4 | 135.4 | 173 | -61.3 | -177.8 | -176.6 | 175.3 | -0.9 | 108.8 | E562 L563 V564 E576 | E562-R580 HydrophobicContact CG-CB 4.13Å; E562-R580 WeakPolarHBondContact OE1-CD 3.49Å; E562-R580 IonicContact OE1-NE 3.98Å; E562-R580 IonicContact OE1-NH1 3.36Å; E562-R580 PolarHBondContact OE1-NH1 3.1Å; L563-R580 WeakPolarHBondContact O-CA 3.46Å; V564-R580 HydrophobicContact CG2-CG 4.25Å; E576-R580 IonicContact OE1-CZ 3.32Å; E576-R580 VanDerWaalsContact OE1-CZ 3.32Å; E576-R580 IonicContact OE1-NE 3.01Å; E576-R580 PolarHBondContact OE1-NE 2.88Å; E576-R580 IonicContact OE1-NH2 2.75Å; E576-R580 PolarHBondContact OE1-NH2 2.98Å; E576-R580 IonicContact OE2-NH2 3.89Å | ||
| 581 | K | 92.3 | Very high | 91.9 | Very high | 41 Ų | 41 | 58.8 Ų | 58.8 | 18% | 0.178 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 123.8 | -175.3 | -178.4 | 169.6 | 179.7 | -176.4 | 0 | 110.9 | L563 M583 L625 P627 | L563-K581 PolarHBondContact N-O 3.46Å; L563-K581 PolarHBondContact O-N 3.04Å; K581-M583 HydrophobicContact CD-CE 3.94Å; K581-M583 HydrophobicContact CG-CE 4.06Å; K581-L625 HydrophobicContact CB-CB 4.4Å; K581-L625 HydrophobicContact CB-CD2 4.37Å; K581-L625 HydrophobicContact CD-CB 4.17Å; K581-L625 WeakPolarHBondContact CD-O 3.17Å; K581-L625 WeakPolarHBondContact CE-O 3.42Å; K581-L625 PolarHBondContact NZ-O 3.47Å; K581-P627 VanDerWaalsContact NZ-CD 3.33Å |
| 582 | E | 92.3 | Very high | 92.2 | Very high | 140 Ų | 140 | 55.4 Ų | 55.4 | 65% | 0.654 | 29% | 0.29 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 137 | 170.4 | -67.1 | -173.1 | 165.4 | 0 | 0 | 110.9 | E562 | E562-E582 HydrophobicContact CB-CG 4.39Å; E562-E582 HydrophobicContact CG-CG 4.43Å |
| 583 | M | 93.3 | Very high | 92.4 | Very high | 18 Ų | 18 | 54.9 Ų | 54.9 | 9% | 0.089 | 28% | 0.284 | C | S | . | . | trans | -91.5 | 163.8 | 175.2 | -66.4 | -59.5 | 162.9 | 0 | 0 | 111.7 | G561 L563 K581 A585 V587 L609 I617 | G561-M583 WeakPolarHBondContact O-CB 3.41Å; G561-M583 PolarHBondContact O-N 2.9Å; L563-M583 HydrophobicContact CD1-CE 3.22Å; L563-M583 HydrophobicContact CG-CE 3.81Å; K581-M583 HydrophobicContact CD-CE 3.94Å; K581-M583 HydrophobicContact CG-CE 4.06Å; M583-A585 WeakPolarHBondContact CB-O 3.23Å; M583-A585 PolarHBondContact O-N 2.94Å; M583-V587 HydrophobicContact CG-CG2 4.13Å; M583-L609 HydrophobicContact CB-CD1 4.41Å; M583-L609 HydrophobicContact CB-CD2 3.86Å; M583-L609 HydrophobicContact CG-CD2 4.01Å; M583-I617 HydrophobicContact CE-CD1 3.28Å; M583-I617 HydrophobicContact SD-CD1 4.49Å | ||
| 584 | S | 90.3 | Very high | 92.5 | Very high | 77 Ų | 77 | 52.3 Ų | 52.3 | 54% | 0.538 | 27% | 0.274 | S | S | . | . | S | Bend | trans | -68.8 | -21.1 | 177.9 | 50.2 | 0 | 0 | 0 | 0 | 113.8 | D611 R615 | S584-D611 PolarHBondContact OG-OD2 3.15Å; S584-R615 PolarHBondContact OG-NH2 2.9Å |
| 585 | A | 92.4 | Very high | 92.5 | Very high | 25 Ų | 25 | 51.7 Ų | 51.7 | 21% | 0.207 | 27% | 0.271 | C | S | . | . | S | Bend | trans | -149 | 171.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | M583 L609 V610 D611 | M583-A585 WeakPolarHBondContact CB-O 3.23Å; M583-A585 PolarHBondContact O-N 2.94Å; A585-L609 HydrophobicContact CB-CB 4.49Å; A585-V610 HydrophobicContact CB-CB 4.36Å; A585-D611 HydrophobicContact CB-CB 4.29Å |
| 586 | D | 93.8 | Very high | 92.1 | Very high | 86 Ų | 86 | 50.1 Ų | 50.1 | 46% | 0.46 | 27% | 0.265 | S | S | . | . | trans | -61.7 | 147 | 175.9 | -70.8 | -44.9 | 0 | 0 | 0 | 111.7 | G560 G561 L609 V610 | G560-D586 WeakPolarHBondContact CA-OD1 3.44Å; G560-D586 PolarHBondContact N-OD1 2.89Å; G560-D586 VanDerWaalsContact N-OD1 3.13Å; G561-D586 PolarHBondContact N-OD1 2.9Å; D586-L609 WeakPolarHBondContact O-CA 3.46Å; D586-V610 HydrophobicContact CB-CG2 3.93Å; D586-V610 WeakPolarHBondContact O-CG2 3.4Å; D586-V610 PolarHBondContact O-N 3.38Å | ||
| 587 | V | 95.9 | Very high | 91.6 | Very high | 7 Ų | 7 | 53.3 Ų | 53.3 | 4% | 0.042 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 125.5 | 179.5 | 177.6 | 0 | 0 | 0 | 0 | 109.4 | A557 L563 M583 M590 V607 L609 | A557-V587 HydrophobicContact CB-CB 3.8Å; A557-V587 HydrophobicContact CB-CG1 3.88Å; A557-V587 HydrophobicContact CB-CG2 4.06Å; L563-V587 HydrophobicContact CD2-CG2 4.17Å; M583-V587 HydrophobicContact CG-CG2 4.13Å; V587-M590 HydrophobicContact CG1-CG 3.55Å; V587-M590 HydrophobicContact CG1-SD 3.98Å; V587-V607 HydrophobicContact CB-CG1 4.44Å; V587-V607 HydrophobicContact CG1-CG1 3.77Å; V587-V607 HydrophobicContact CG2-CG1 3.86Å; V587-L609 HydrophobicContact CB-CD2 4.5Å; V587-L609 HydrophobicContact CG2-CD2 3.82Å |
| 588 | V | 95.7 | Very high | 91.1 | Very high | 23 Ų | 23 | 54 Ų | 54 | 14% | 0.139 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | -27.7 | -179 | -68.5 | 0 | 0 | 0 | 0 | 113.9 | R546 G608 V610 Q636 P637 | R546-V588 WeakPolarHBondContact CD-O 3.49Å; R546-V588 PolarHBondContact NE-O 3.48Å; V588-G608 WeakPolarHBondContact CG2-O 3.08Å; V588-G608 PolarHBondContact N-O 3.32Å; V588-V610 HydrophobicContact CG1-CG2 3.49Å; V588-V610 VanDerWaalsContact CG1-CG2 3.49Å; V588-Q636 HydrophobicContact CG2-CG 4.5Å; V588-P637 HydrophobicContact CG2-CG 3.89Å; V588-P637 WeakPolarHBondContact CG2-O 3.35Å |
| 589 | C | 95.6 | Very high | 91 | Very high | 6 Ų | 6 | 53 Ų | 53 | 4% | 0.041 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.9 | 154.5 | 176.6 | 55.8 | 0 | 0 | 0 | 0 | 110.6 | G608 E638 | C589-G608 PolarHBondContact O-N 3.49Å; C589-E638 WeakPolarHBondContact CB-O 3.28Å |
| 590 | M | 96.5 | Very high | 90.8 | Very high | 18 Ų | 18 | 53 Ų | 53 | 9% | 0.089 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 151.9 | 179 | -64.3 | -169.4 | -61.4 | 0 | 0 | 109.9 | R546 C547 A548 V555 A557 L563 V587 A606 V607 | R546-M590 VanDerWaalsContact C-CE 3.46Å; R546-M590 HydrophobicContact CB-CE 3.92Å; R546-M590 WeakPolarHBondContact O-CE 3.46Å; C547-M590 VanDerWaalsContact CA-CE 3.41Å; A548-M590 HydrophobicContact CB-CB 3.84Å; V555-M590 HydrophobicContact CG1-CE 4.49Å; V555-M590 HydrophobicContact CG1-SD 4.2Å; A557-M590 HydrophobicContact CB-CE 3.79Å; A557-M590 HydrophobicContact CB-SD 3.88Å; L563-M590 HydrophobicContact CD2-SD 3.78Å; V587-M590 HydrophobicContact CG1-CG 3.55Å; V587-M590 HydrophobicContact CG1-SD 3.98Å; M590-A606 CarbonylContact C-O 3.59Å; M590-A606 VanDerWaalsContact CA-O 3.32Å; M590-A606 WeakPolarHBondContact CA-O 3.39Å; M590-V607 HydrophobicContact CG-CG1 4.32Å; M590-V607 HydrophobicContact CG-CG2 4.47Å |
| 591 | S | 96.1 | Very high | 90.7 | Very high | 10 Ų | 10 | 51 Ų | 51 | 7% | 0.07 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 138.1 | 171.9 | -167.7 | 0 | 0 | 0 | 0 | 111 | A606 L640 C641 I642 | S591-A606 PolarHBondContact N-O 3.16Å; S591-A606 PolarHBondContact O-N 3.32Å; S591-L640 VanDerWaalsContact CB-O 3.3Å; S591-L640 WeakPolarHBondContact CB-O 3.36Å; S591-L640 PolarHBondContact OG-O 3.46Å; S591-C641 VanDerWaalsContact OG-CA 3.29Å; S591-C641 WeakPolarHBondContact OG-CA 3.5Å; S591-I642 PolarHBondContact OG-N 2.91Å; S591-I642 VanDerWaalsContact OG-N 3.09Å |
| 592 | L | 93.9 | Very high | 90.7 | Very high | 4 Ų | 4 | 49.4 Ų | 49.4 | 2% | 0.021 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 127.1 | 178 | -178.8 | 58.9 | 0 | 0 | 0 | 108.7 | A548 N550 Q553 V555 F604 L605 L619 R703 | A548-L592 HydrophobicContact CB-CB 3.95Å; N550-L592 HydrophobicContact CB-CD2 4.06Å; N550-L592 HydrophobicContact CB-CG 4.21Å; N550-L592 WeakPolarHBondContact ND2-CD2 3.31Å; Q553-L592 HydrophobicContact CB-CD2 3.77Å; V555-L592 HydrophobicContact CG2-CD2 4.41Å; L592-F604 WeakPolarHBondContact CD1-O 3.32Å; L592-L605 HydrophobicContact CB-CD1 4.4Å; L592-L619 HydrophobicContact CD1-CD1 3.57Å; L592-R703 VanDerWaalsContact O-CZ 3.3Å; L592-R703 PolarHBondContact O-NH1 2.81Å; L592-R703 PolarHBondContact O-NH2 3.28Å |
| 593 | A | 88 | Confident | 90.6 | Very high | 9 Ų | 9 | 46.2 Ų | 46.2 | 7% | 0.074 | 28% | 0.275 | C | S | . | . | P | Polyproline II helix | trans | -65.4 | 156.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112 | N550 S602 I642 | N550-A593 PolarHBondContact ND2-O 3.18Å; A593-S602 WeakPolarHBondContact CB-OG 3.44Å; A593-S602 WeakPolarHBondContact O-CB 3.32Å; A593-I642 HydrophobicContact CB-CB 4.03Å; A593-I642 HydrophobicContact CB-CD1 4.46Å; A593-I642 HydrophobicContact CB-CG2 3.74Å |
| 594 | N | 87.9 | Confident | 90.6 | Very high | 44 Ų | 44 | 45.8 Ų | 45.8 | 24% | 0.235 | 27% | 0.273 | C | S | . | . | P | Polyproline II helix | trans | -64.4 | 152.6 | 170.7 | -73.2 | -14.7 | 0 | 0 | 0 | 109.8 | Q551 P596 R703 E710 | Q551-N594 VanDerWaalsContact NE2-CG 3.33Å; Q551-N594 PolarHBondContact NE2-OD1 2.87Å; N594-P596 WeakPolarHBondContact O-CD 3.36Å; N594-R703 PolarHBondContact OD1-NH1 2.91Å; N594-E710 PolarHBondContact ND2-OE1 2.85Å |
| 595 | V | 88.3 | Confident | 90.9 | Very high | 24 Ų | 24 | 42.1 Ų | 42.1 | 15% | 0.145 | 25% | 0.247 | C | C | . | . | P | Polyproline II helix | trans | -75.8 | 122.5 | 176.8 | -177.5 | 0 | 0 | 0 | 0 | 108.8 | R552 E599 | R552-V595 HydrophobicContact CB-CG2 4.47Å; V595-E599 HydrophobicContact CG1-CB 4.29Å; V595-E599 VanDerWaalsContact CG1-O 3.23Å; V595-E599 WeakPolarHBondContact CG1-O 3.35Å |
| 596 | P | 84.6 | Confident | 91.1 | Very high | 43 Ų | 43 | 40.9 Ų | 40.9 | 28% | 0.279 | 24% | 0.237 | S | C | . | . | P | Polyproline II helix | trans | -60 | 147.4 | 176.7 | -24.3 | 34.7 | 0 | 0 | 0 | 112.1 | N594 G598 E599 | N594-P596 WeakPolarHBondContact O-CD 3.36Å; P596-G598 PolarHBondContact O-N 2.78Å; P596-E599 HydrophobicContact CB-CB 4.33Å; P596-E599 HydrophobicContact CB-CG 4.23Å; P596-E599 PolarHBondContact O-N 3Å |
| 597 | P | 80.9 | Confident | 91.2 | Very high | 138 Ų | 138 | 36.8 Ų | 36.8 | 90% | 0.896 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56 | 127.8 | 173.6 | -23.6 | 33.6 | 0 | 0 | 0 | 111.3 | E599 | P597-E599 VanDerWaalsContact C-N 3.33Š|
| 598 | G | 83.5 | Confident | 91.2 | Very high | 88 Ų | 88 | 36.5 Ų | 36.5 | 91% | 0.907 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 90.5 | -16.4 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | P596 | P596-G598 PolarHBondContact O-N 2.78Š|
| 599 | E | 86.3 | Confident | 91.2 | Very high | 119 Ų | 119 | 35.4 Ų | 35.4 | 56% | 0.556 | 21% | 0.207 | S | C | * | . | trans | -92 | 160.8 | 171 | -63.8 | -165.9 | 169.7 | 0 | 0 | 111.7 | V595 P596 P597 | V595-E599 HydrophobicContact CG1-CB 4.29Å; V595-E599 VanDerWaalsContact CG1-O 3.23Å; V595-E599 WeakPolarHBondContact CG1-O 3.35Å; P596-E599 HydrophobicContact CB-CB 4.33Å; P596-E599 HydrophobicContact CB-CG 4.23Å; P596-E599 PolarHBondContact O-N 3Å; P597-E599 VanDerWaalsContact C-N 3.33Å | ||
| 600 | Q | 87.1 | Confident | 91.2 | Very high | 108 Ų | 108 | 38.3 Ų | 38.3 | 51% | 0.505 | 22% | 0.224 | S | C | . | . | S | Bend | trans | -99.8 | -17.5 | 179.7 | -64.5 | -164.7 | -7.9 | 0 | 0 | 113.6 | R552 | R552-Q600 WeakPolarHBondContact CD-O 3.37Š|
| 601 | R | 89.6 | Confident | 91 | Very high | 44 Ų | 44 | 40.6 Ų | 40.6 | 17% | 0.166 | 24% | 0.237 | C | C | . | . | S | Bend | trans | -150.8 | 157.1 | -172 | 70.3 | -175.3 | 71.9 | -128.3 | -9.1 | 109.3 | Q553 E567 | Q553-R601 HydrophobicContact CG-CB 4.47Å; E567-R601 VanDerWaalsContact CD-NH1 3.27Å; E567-R601 IonicContact OE1-CZ 3.59Å; E567-R601 IonicContact OE1-NH1 3.43Å; E567-R601 PolarHBondContact OE1-NH1 3.49Å; E567-R601 IonicContact OE1-NH2 3.15Å; E567-R601 PolarHBondContact OE1-NH2 2.91Å; E567-R601 IonicContact OE2-CZ 3.83Å; E567-R601 IonicContact OE2-NH1 3.91Å; E567-R601 PolarHBondContact OE2-NH1 3.35Å; E567-R601 IonicContact OE2-NH2 3.5Å; E567-R601 PolarHBondContact OE2-NH2 2.93Å |
| 602 | S | 91.9 | Very high | 90.9 | Very high | 6 Ų | 6 | 43 Ų | 43 | 4% | 0.042 | 25% | 0.249 | C | C | . | . | trans | -92 | 136.7 | 162.3 | -170.8 | 0 | 0 | 0 | 0 | 109.4 | Q553 A593 | Q553-S602 PolarHBondContact NE2-O 3.45Å; Q553-S602 VanDerWaalsContact NE2-O 3.16Å; Q553-S602 PolarHBondContact OE1-O 2.98Å; A593-S602 WeakPolarHBondContact CB-OG 3.44Å; A593-S602 WeakPolarHBondContact O-CB 3.32Å | ||
| 603 | R | 91.6 | Very high | 91 | Very high | 73 Ų | 73 | 43.5 Ų | 43.5 | 28% | 0.275 | 25% | 0.252 | S | S | . | . | trans | -74 | -36.7 | -179.4 | -179.6 | 174.9 | -177 | 159.9 | 1.2 | 113.1 | S618 L619 D620 D623 | R603-S618 CarbonylContact O-C 3.52Å; R603-S618 WeakPolarHBondContact O-CA 3.35Å; R603-L619 PolarHBondContact O-N 3.41Å; R603-D620 WeakPolarHBondContact CD-OD2 3.29Å; R603-D620 WeakPolarHBondContact CG-OD2 3.45Å; R603-D620 IonicContact CZ-OD2 3.21Å; R603-D620 IonicContact NE-OD2 3.85Å; R603-D620 PolarHBondContact NE-OD2 3.35Å; R603-D620 IonicContact NH1-OD2 3.58Å; R603-D623 IonicContact NH2-OD2 2.71Å | ||
| 604 | F | 93.2 | Very high | 91.3 | Very high | 9 Ų | 9 | 43.1 Ų | 43.1 | 4% | 0.039 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 124.2 | -165.3 | -57.1 | -67.3 | 0 | 0 | 0 | 113.1 | L592 I616 L628 I642 L663 L679 P681 | L592-F604 WeakPolarHBondContact CD1-O 3.32Å; F604-I616 HydrophobicContact CB-CG2 4.22Å; F604-I616 HydrophobicContact CD1-CG2 3.79Å; F604-I616 HydrophobicContact CG-CG2 4.4Å; F604-L628 HydrophobicContact CD1-CD1 3.76Å; F604-L628 HydrophobicContact CE1-CD1 3.65Å; F604-I642 HydrophobicContact CB-CD1 4.46Å; F604-L663 HydrophobicContact CD2-CD2 4.14Å; F604-L679 HydrophobicContact CB-CD2 4.08Å; F604-L679 HydrophobicContact CD2-CD2 4.08Å; F604-L679 HydrophobicContact CG-CD2 4.05Å; F604-P681 WeakPolarHBondContact CE2-O 3.43Å; F604-P681 VanDerWaalsContact CZ-O 3.29Å; F604-P681 WeakPolarHBondContact CZ-O 3.31Å |
| 605 | L | 95.6 | Very high | 91.7 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 124.5 | 168.6 | 173.7 | 70.3 | 0 | 0 | 0 | 109.7 | A548 V555 L563 L592 V607 I616 I617 L619 | A548-L605 HydrophobicContact CB-CD1 4.46Å; V555-L605 HydrophobicContact CB-CD1 4.29Å; V555-L605 HydrophobicContact CG1-CD1 4.22Å; V555-L605 HydrophobicContact CG1-CD2 3.83Å; V555-L605 HydrophobicContact CG2-CD1 4.19Å; V555-L605 HydrophobicContact CG2-CD2 4.29Å; L563-L605 HydrophobicContact CD1-CD2 4.23Å; L592-L605 HydrophobicContact CB-CD1 4.4Å; L605-V607 HydrophobicContact CD2-CG2 3.83Å; L605-V607 HydrophobicContact CG-CG2 3.8Å; L605-I616 CarbonylContact O-C 3.54Å; L605-I616 WeakPolarHBondContact O-CA 3.44Å; L605-I617 HydrophobicContact CB-CB 4.3Å; L605-I617 HydrophobicContact CD2-CB 4.44Å; L605-I617 PolarHBondContact N-O 2.91Å; L605-I617 PolarHBondContact O-N 3.31Å; L605-L619 HydrophobicContact CB-CD1 4.03Å; L605-L619 HydrophobicContact CB-CD2 4.27Å; L605-L619 HydrophobicContact CB-CG 4.03Å; L605-L619 HydrophobicContact CD2-CD2 4.27Å |
| 606 | A | 96.2 | Very high | 92 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 129.5 | 172 | 0 | 0 | 0 | 0 | 0 | 110.7 | M590 S591 R615 I616 L640 I642 L665 | M590-A606 CarbonylContact C-O 3.59Å; M590-A606 VanDerWaalsContact CA-O 3.32Å; M590-A606 WeakPolarHBondContact CA-O 3.39Å; S591-A606 PolarHBondContact N-O 3.16Å; S591-A606 PolarHBondContact O-N 3.32Å; A606-R615 WeakPolarHBondContact CA-O 3.47Å; A606-I616 HydrophobicContact CB-CD1 3.88Å; A606-L640 HydrophobicContact CB-CD1 4.08Å; A606-I642 HydrophobicContact CB-CD1 3.97Å; A606-I642 HydrophobicContact CB-CG1 4.23Å; A606-L665 HydrophobicContact CB-CD1 3.68Å |
| 607 | V | 96.8 | Very high | 92.5 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 121.8 | -178.3 | -174 | 0 | 0 | 0 | 0 | 110 | L563 V587 M590 L605 L609 V614 R615 I617 | L563-V607 HydrophobicContact CD1-CG2 4.22Å; V587-V607 HydrophobicContact CB-CG1 4.44Å; V587-V607 HydrophobicContact CG1-CG1 3.77Å; V587-V607 HydrophobicContact CG2-CG1 3.86Å; M590-V607 HydrophobicContact CG-CG1 4.32Å; M590-V607 HydrophobicContact CG-CG2 4.47Å; L605-V607 HydrophobicContact CD2-CG2 3.83Å; L605-V607 HydrophobicContact CG-CG2 3.8Å; V607-L609 HydrophobicContact CG1-CD2 3.96Å; V607-V614 WeakPolarHBondContact O-CA 3.12Å; V607-R615 PolarHBondContact N-O 3.41Å; V607-R615 PolarHBondContact O-N 3.3Å; V607-I617 HydrophobicContact CG2-CD1 3.94Å |
| 608 | G | 96.3 | Very high | 93.1 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 133.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | V588 C589 | V588-G608 WeakPolarHBondContact CG2-O 3.08Å; V588-G608 PolarHBondContact N-O 3.32Å; C589-G608 PolarHBondContact O-N 3.49Å |
| 609 | L | 95.6 | Very high | 93.6 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 160.8 | -174.4 | -59.6 | -177.5 | 0 | 0 | 0 | 112 | M583 A585 D586 V587 V607 D611 N612 T613 | M583-L609 HydrophobicContact CB-CD1 4.41Å; M583-L609 HydrophobicContact CB-CD2 3.86Å; M583-L609 HydrophobicContact CG-CD2 4.01Å; A585-L609 HydrophobicContact CB-CB 4.49Å; D586-L609 WeakPolarHBondContact O-CA 3.46Å; V587-L609 HydrophobicContact CB-CD2 4.5Å; V587-L609 HydrophobicContact CG2-CD2 3.82Å; V607-L609 HydrophobicContact CG1-CD2 3.96Å; L609-D611 VanDerWaalsContact CB-OD1 3.24Å; L609-D611 WeakPolarHBondContact CB-OD1 3.4Å; L609-D611 PolarHBondContact O-N 3.26Å; L609-N612 PolarHBondContact O-N 2.89Å; L609-T613 PolarHBondContact N-O 3.02Å |
| 610 | V | 95.1 | Very high | 93.8 | Very high | 68 Ų | 68 | 25.1 Ų | 25.1 | 41% | 0.412 | 12% | 0.122 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -21.7 | 174.5 | 177.8 | 0 | 0 | 0 | 0 | 113 | A585 D586 V588 N612 | A585-V610 HydrophobicContact CB-CB 4.36Å; D586-V610 HydrophobicContact CB-CG2 3.93Å; D586-V610 WeakPolarHBondContact O-CG2 3.4Å; D586-V610 PolarHBondContact O-N 3.38Å; V588-V610 HydrophobicContact CG1-CG2 3.49Å; V588-V610 VanDerWaalsContact CG1-CG2 3.49Å; V610-N612 PolarHBondContact O-N 2.96Å; V610-N612 VanDerWaalsContact O-N 3.08Å |
| 611 | D | 92.6 | Very high | 93.9 | Very high | 65 Ų | 65 | 24.1 Ų | 24.1 | 35% | 0.348 | 13% | 0.125 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.2 | 16.3 | -179.9 | 66.8 | 7.5 | 0 | 0 | 0 | 114.4 | S584 A585 L609 T613 R615 | S584-D611 PolarHBondContact OG-OD2 3.15Å; A585-D611 HydrophobicContact CB-CB 4.29Å; L609-D611 VanDerWaalsContact CB-OD1 3.24Å; L609-D611 WeakPolarHBondContact CB-OD1 3.4Å; L609-D611 PolarHBondContact O-N 3.26Å; D611-T613 VanDerWaalsContact C-N 3.29Å; D611-T613 PolarHBondContact O-N 2.82Å; D611-T613 WeakPolarHBondContact OD1-CB 3.39Å; D611-T613 WeakPolarHBondContact OD1-CG2 3.36Å; D611-T613 PolarHBondContact OD1-N 2.85Å; D611-T613 VanDerWaalsContact OD1-N 3.14Å; D611-T613 PolarHBondContact OD1-OG1 2.92Å; D611-R615 IonicContact OD2-NH2 3.13Å |
| 612 | N | 94.6 | Very high | 93.9 | Very high | 60 Ų | 60 | 27.1 Ų | 27.1 | 32% | 0.321 | 15% | 0.153 | S | C | . | . | S | Bend | trans | 58.7 | 34.8 | -175.1 | -56.1 | -19.3 | 0 | 0 | 0 | 113.3 | L609 V610 L633 Q636 | L609-N612 PolarHBondContact O-N 2.89Å; V610-N612 PolarHBondContact O-N 2.96Å; V610-N612 VanDerWaalsContact O-N 3.08Å; N612-L633 WeakPolarHBondContact O-CA 3.04Å; N612-L633 VanDerWaalsContact O-CB 3.32Å; N612-L633 WeakPolarHBondContact O-CB 3.39Å; N612-L633 PolarHBondContact O-N 2.84Å; N612-Q636 WeakPolarHBondContact OD1-CA 3.48Å; N612-Q636 WeakPolarHBondContact OD1-CB 3.28Å; N612-Q636 PolarHBondContact OD1-N 3.29Å; N612-Q636 VanDerWaalsContact OD1-N 3.14Å |
| 613 | T | 94.8 | Very high | 93.8 | Very high | 16 Ų | 16 | 28.6 Ų | 28.6 | 10% | 0.098 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 151.2 | 172.9 | 70.8 | 0 | 0 | 0 | 0 | 112.5 | L609 D611 Q631 | L609-T613 PolarHBondContact N-O 3.02Å; D611-T613 VanDerWaalsContact C-N 3.29Å; D611-T613 PolarHBondContact O-N 2.82Å; D611-T613 WeakPolarHBondContact OD1-CB 3.39Å; D611-T613 WeakPolarHBondContact OD1-CG2 3.36Å; D611-T613 PolarHBondContact OD1-N 2.85Å; D611-T613 VanDerWaalsContact OD1-N 3.14Å; D611-T613 PolarHBondContact OD1-OG1 2.92Å; T613-Q631 WeakPolarHBondContact CA-O 3.28Å |
| 614 | V | 95.6 | Very high | 93.8 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 141 | 164.2 | 66.2 | 0 | 0 | 0 | 0 | 109.1 | V607 M630 Q631 L633 L640 L665 I667 L686 | V607-V614 WeakPolarHBondContact O-CA 3.12Å; V614-M630 WeakPolarHBondContact O-CA 2.89Å; V614-Q631 HydrophobicContact CG1-CB 3.8Å; V614-Q631 PolarHBondContact N-O 3.31Å; V614-Q631 PolarHBondContact O-N 2.86Å; V614-L633 HydrophobicContact CB-CD1 4.21Å; V614-L633 HydrophobicContact CG1-CD1 4.46Å; V614-L633 HydrophobicContact CG1-CD2 4.21Å; V614-L633 HydrophobicContact CG1-CG 4.48Å; V614-L640 HydrophobicContact CG2-CD1 4.01Å; V614-L640 HydrophobicContact CG2-CD2 3.95Å; V614-L665 HydrophobicContact CG2-CD2 4.27Å; V614-I667 HydrophobicContact CG1-CD1 3.86Å; V614-L686 HydrophobicContact CG1-CD1 4.4Å |
| 615 | R | 94.8 | Very high | 93.7 | Very high | 43 Ų | 43 | 25.3 Ų | 25.3 | 16% | 0.162 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 139.1 | 179.7 | -59.4 | -176.4 | -173.2 | -170.7 | -2.3 | 110.7 | S584 A606 V607 D611 S629 M630 | S584-R615 PolarHBondContact OG-NH2 2.9Å; A606-R615 WeakPolarHBondContact CA-O 3.47Å; V607-R615 PolarHBondContact N-O 3.41Å; V607-R615 PolarHBondContact O-N 3.3Å; D611-R615 IonicContact OD2-NH2 3.13Å; R615-S629 WeakPolarHBondContact CA-O 3.13Å; R615-M630 HydrophobicContact CG-CG 4.44Å |
| 616 | I | 95.4 | Very high | 93.6 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 131.6 | 171.5 | -50.1 | -56.3 | 0 | 0 | 0 | 108.6 | F604 L605 A606 L628 S629 L665 L679 L686 | F604-I616 HydrophobicContact CB-CG2 4.22Å; F604-I616 HydrophobicContact CD1-CG2 3.79Å; F604-I616 HydrophobicContact CG-CG2 4.4Å; L605-I616 CarbonylContact O-C 3.54Å; L605-I616 WeakPolarHBondContact O-CA 3.44Å; A606-I616 HydrophobicContact CB-CD1 3.88Å; I616-L628 HydrophobicContact CG2-CD1 4.29Å; I616-L628 PolarHBondContact O-N 3.13Å; I616-S629 WeakPolarHBondContact CB-OG 3.43Å; I616-S629 VanDerWaalsContact CG1-OG 3.27Å; I616-S629 WeakPolarHBondContact CG1-OG 3.36Å; I616-S629 PolarHBondContact N-O 3.49Å; I616-L665 HydrophobicContact CD1-CD2 3.83Å; I616-L679 HydrophobicContact CD1-CD1 4.43Å; I616-L679 HydrophobicContact CG1-CD1 4.17Å; I616-L679 HydrophobicContact CG2-CD1 4.31Å; I616-L686 HydrophobicContact CD1-CD1 4.41Å; I616-L686 HydrophobicContact CD1-CD2 4.43Å; I616-L686 HydrophobicContact CG1-CD1 4.05Å; I616-L686 HydrophobicContact CG1-CD2 4.33Å; I616-L686 HydrophobicContact CG1-CG 4.26Å |
| 617 | I | 94.6 | Very high | 93.3 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 135.7 | -176 | -62.6 | 179.5 | 0 | 0 | 0 | 108.7 | L563 M583 L605 V607 Q626 | L563-I617 HydrophobicContact CD1-CD1 4.15Å; M583-I617 HydrophobicContact CE-CD1 3.28Å; M583-I617 HydrophobicContact SD-CD1 4.49Å; L605-I617 HydrophobicContact CB-CB 4.3Å; L605-I617 HydrophobicContact CD2-CB 4.44Å; L605-I617 PolarHBondContact N-O 2.91Å; L605-I617 PolarHBondContact O-N 3.31Å; V607-I617 HydrophobicContact CG2-CD1 3.94Å; I617-Q626 WeakPolarHBondContact CA-O 3.11Å; I617-Q626 WeakPolarHBondContact CG2-O 3.47Å |
| 618 | S | 94.1 | Very high | 93 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 138.3 | 173.8 | -169 | 0 | 0 | 0 | 0 | 110.9 | R603 D620 D623 C624 L625 Q626 | R603-S618 CarbonylContact O-C 3.52Å; R603-S618 WeakPolarHBondContact O-CA 3.35Å; S618-D620 PolarHBondContact OG-N 3.05Å; S618-D623 WeakPolarHBondContact CB-O 3.34Å; S618-D623 WeakPolarHBondContact CB-OD1 3.48Å; S618-D623 VanDerWaalsContact OG-CG 3.27Å; S618-D623 PolarHBondContact OG-OD1 3.03Å; S618-D623 PolarHBondContact OG-OD2 3.06Å; S618-C624 CarbonylContact O-C 3.51Å; S618-L625 PolarHBondContact O-N 3.19Å; S618-Q626 PolarHBondContact N-O 3.37Å |
| 619 | L | 93.2 | Very high | 92.8 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 22% | 0.215 | C | C | . | . | trans | -110.4 | 6.1 | 171.2 | -61.3 | -176.7 | 0 | 0 | 0 | 112.3 | V555 Y565 L592 R603 L605 | V555-L619 HydrophobicContact CG2-CD1 4.23Å; Y565-L619 HydrophobicContact CD1-CD2 4.5Å; Y565-L619 HydrophobicContact CE2-CD1 4.34Å; Y565-L619 HydrophobicContact CG-CD2 4.48Å; L592-L619 HydrophobicContact CD1-CD1 3.57Å; R603-L619 PolarHBondContact O-N 3.41Å; L605-L619 HydrophobicContact CB-CD1 4.03Å; L605-L619 HydrophobicContact CB-CD2 4.27Å; L605-L619 HydrophobicContact CB-CG 4.03Å; L605-L619 HydrophobicContact CD2-CD2 4.27Å | ||
| 620 | D | 91.1 | Very high | 92.6 | Very high | 36 Ų | 36 | 43 Ų | 43 | 19% | 0.193 | 24% | 0.243 | C | C | . | . | S | Bend | trans | -67.4 | 145.2 | 172.8 | -80.3 | -20.5 | 0 | 0 | 0 | 110.6 | R603 S618 S622 D623 C624 | R603-D620 WeakPolarHBondContact CD-OD2 3.29Å; R603-D620 WeakPolarHBondContact CG-OD2 3.45Å; R603-D620 IonicContact CZ-OD2 3.21Å; R603-D620 IonicContact NE-OD2 3.85Å; R603-D620 PolarHBondContact NE-OD2 3.35Å; R603-D620 IonicContact NH1-OD2 3.58Å; S618-D620 PolarHBondContact OG-N 3.05Å; D620-S622 PolarHBondContact O-N 3.42Å; D620-S622 VanDerWaalsContact O-N 3.1Å; D620-D623 WeakPolarHBondContact CB-OD1 3.2Å; D620-D623 CarbonylContact O-C 3.55Å; D620-D623 PolarHBondContact O-N 2.9Å; D620-C624 WeakPolarHBondContact O-CA 3.43Å; D620-C624 VanDerWaalsContact O-CB 3.29Å; D620-C624 WeakPolarHBondContact O-CB 2.99Å; D620-C624 PolarHBondContact O-N 2.99Å |
| 621 | P | 88.3 | Confident | 92.5 | Very high | 87 Ų | 87 | 41.6 Ų | 41.6 | 57% | 0.565 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | -26.1 | -178.2 | -25.8 | 34.5 | 0 | 0 | 0 | 114.4 | ||
| 622 | S | 89.7 | Confident | 92.6 | Very high | 107 Ų | 107 | 42.3 Ų | 42.3 | 75% | 0.748 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.9 | -36.3 | 179.7 | 41.2 | 0 | 0 | 0 | 0 | 113.7 | D620 | D620-S622 PolarHBondContact O-N 3.42Å; D620-S622 VanDerWaalsContact O-N 3.1Å |
| 623 | D | 90.8 | Very high | 92.5 | Very high | 37 Ų | 37 | 40.2 Ų | 40.2 | 20% | 0.198 | 24% | 0.235 | C | C | . | . | S | Bend | trans | -140.9 | 36.6 | -172 | 57.3 | -8 | 0 | 0 | 0 | 110.7 | R603 S618 D620 L625 Q626 | R603-D623 IonicContact NH2-OD2 2.71Å; S618-D623 WeakPolarHBondContact CB-O 3.34Å; S618-D623 WeakPolarHBondContact CB-OD1 3.48Å; S618-D623 VanDerWaalsContact OG-CG 3.27Å; S618-D623 PolarHBondContact OG-OD1 3.03Å; S618-D623 PolarHBondContact OG-OD2 3.06Å; D620-D623 WeakPolarHBondContact CB-OD1 3.2Å; D620-D623 CarbonylContact O-C 3.55Å; D620-D623 PolarHBondContact O-N 2.9Å; D623-L625 PolarHBondContact O-N 3.5Å; D623-Q626 HydrophobicContact CB-CB 4.23Å; D623-Q626 HydrophobicContact CB-CG 4.22Å; D623-Q626 VanDerWaalsContact O-CB 3.22Å; D623-Q626 WeakPolarHBondContact O-CB 3.39Å; D623-Q626 WeakPolarHBondContact O-CG 3.5Å; D623-Q626 PolarHBondContact O-N 3.21Å |
| 624 | C | 91.6 | Very high | 92.4 | Very high | 9 Ų | 9 | 44.4 Ų | 44.4 | 6% | 0.061 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | 133.8 | -174.6 | -163.8 | 0 | 0 | 0 | 0 | 110.8 | Y577 S618 D620 Q626 | Y577-C624 HydrophobicContact CE1-CB 4.17Å; Y577-C624 HydrophobicContact CE2-CB 4.3Å; S618-C624 CarbonylContact O-C 3.51Å; D620-C624 WeakPolarHBondContact O-CA 3.43Å; D620-C624 VanDerWaalsContact O-CB 3.29Å; D620-C624 WeakPolarHBondContact O-CB 2.99Å; D620-C624 PolarHBondContact O-N 2.99Å; C624-Q626 PolarHBondContact O-N 3.26Å; C624-Q626 VanDerWaalsContact O-N 3.14Å |
| 625 | L | 91.8 | Very high | 92.3 | Very high | 4 Ų | 4 | 45.2 Ų | 45.2 | 2% | 0.021 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 60.3 | 13.1 | -175.8 | -66.7 | 160.5 | 0 | 0 | 0 | 114.3 | L563 Y577 E579 K581 S618 D623 | L563-L625 HydrophobicContact CD1-CD2 4.43Å; Y577-L625 HydrophobicContact CD1-CD1 3.76Å; Y577-L625 HydrophobicContact CE1-CD1 4.13Å; E579-L625 WeakPolarHBondContact O-CD1 3.43Å; K581-L625 HydrophobicContact CB-CB 4.4Å; K581-L625 HydrophobicContact CB-CD2 4.37Å; K581-L625 HydrophobicContact CD-CB 4.17Å; K581-L625 WeakPolarHBondContact CD-O 3.17Å; K581-L625 WeakPolarHBondContact CE-O 3.42Å; K581-L625 PolarHBondContact NZ-O 3.47Å; S618-L625 PolarHBondContact O-N 3.19Å; D623-L625 PolarHBondContact O-N 3.5Å |
| 626 | Q | 91.6 | Very high | 92.4 | Very high | 102 Ų | 102 | 45.2 Ų | 45.2 | 48% | 0.477 | 27% | 0.271 | S | S | . | . | trans | -80.9 | 139 | 173.8 | -66.7 | -65.1 | -28.4 | 0 | 0 | 111.7 | I617 S618 D623 C624 | I617-Q626 WeakPolarHBondContact CA-O 3.11Å; I617-Q626 WeakPolarHBondContact CG2-O 3.47Å; S618-Q626 PolarHBondContact N-O 3.37Å; D623-Q626 HydrophobicContact CB-CB 4.23Å; D623-Q626 HydrophobicContact CB-CG 4.22Å; D623-Q626 VanDerWaalsContact O-CB 3.22Å; D623-Q626 WeakPolarHBondContact O-CB 3.39Å; D623-Q626 WeakPolarHBondContact O-CG 3.5Å; D623-Q626 PolarHBondContact O-N 3.21Å; C624-Q626 PolarHBondContact O-N 3.26Å; C624-Q626 VanDerWaalsContact O-N 3.14Å | ||
| 627 | P | 90.2 | Very high | 92.5 | Very high | 76 Ų | 76 | 45.2 Ų | 45.2 | 49% | 0.494 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 128 | 175.4 | 31.6 | -27.4 | 0 | 0 | 0 | 109.9 | K581 | K581-P627 VanDerWaalsContact NZ-CD 3.33Å |
| 628 | L | 91.3 | Very high | 92.6 | Very high | 55 Ų | 55 | 47.5 Ų | 47.5 | 29% | 0.288 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | -56.2 | 176.4 | -65.3 | 175.4 | 0 | 0 | 0 | 110.6 | F604 I616 | F604-L628 HydrophobicContact CD1-CD1 3.76Å; F604-L628 HydrophobicContact CE1-CD1 3.65Å; I616-L628 HydrophobicContact CG2-CD1 4.29Å; I616-L628 PolarHBondContact O-N 3.13Å |
| 629 | S | 92 | Very high | 92.7 | Very high | 18 Ų | 18 | 48.2 Ų | 48.2 | 13% | 0.126 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 158.7 | -176.6 | 68.2 | 0 | 0 | 0 | 0 | 112 | R615 I616 G684 | R615-S629 WeakPolarHBondContact CA-O 3.13Å; I616-S629 WeakPolarHBondContact CB-OG 3.43Å; I616-S629 VanDerWaalsContact CG1-OG 3.27Å; I616-S629 WeakPolarHBondContact CG1-OG 3.36Å; I616-S629 PolarHBondContact N-O 3.49Å; S629-G684 WeakPolarHBondContact CB-O 3.38Å; S629-G684 PolarHBondContact OG-O 3.19Å |
| 630 | M | 91.9 | Very high | 92.9 | Very high | 119 Ų | 119 | 48.7 Ų | 48.7 | 59% | 0.586 | 29% | 0.29 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 137.1 | 178.8 | 173.4 | -170.4 | -66.6 | 0 | 0 | 109.4 | V614 R615 | V614-M630 WeakPolarHBondContact O-CA 2.89Å; R615-M630 HydrophobicContact CG-CG 4.44Å |
| 631 | Q | 92.6 | Very high | 93.1 | Very high | 40 Ų | 40 | 47.1 Ų | 47.1 | 19% | 0.187 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 131.7 | 173 | -177.4 | 175.7 | 13.1 | 0 | 0 | 110.4 | T613 V614 L686 T689 | T613-Q631 WeakPolarHBondContact CA-O 3.28Å; V614-Q631 HydrophobicContact CG1-CB 3.8Å; V614-Q631 PolarHBondContact N-O 3.31Å; V614-Q631 PolarHBondContact O-N 2.86Å; Q631-L686 HydrophobicContact CB-CD1 3.83Å; Q631-T689 PolarHBondContact NE2-OG1 2.98Å |
| 632 | A | 93.6 | Very high | 93.4 | Very high | 80 Ų | 80 | 43 Ų | 43 | 66% | 0.661 | 26% | 0.255 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 141.5 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||
| 633 | L | 93.9 | Very high | 93.5 | Very high | 15 Ų | 15 | 38 Ų | 38 | 8% | 0.079 | 22% | 0.22 | C | C | . | . | trans | -114.4 | 149.2 | -176.3 | -56.5 | 174.1 | 0 | 0 | 0 | 110.9 | N612 V614 A635 P637 I667 L669 L675 | N612-L633 WeakPolarHBondContact O-CA 3.04Å; N612-L633 VanDerWaalsContact O-CB 3.32Å; N612-L633 WeakPolarHBondContact O-CB 3.39Å; N612-L633 PolarHBondContact O-N 2.84Å; V614-L633 HydrophobicContact CB-CD1 4.21Å; V614-L633 HydrophobicContact CG1-CD1 4.46Å; V614-L633 HydrophobicContact CG1-CD2 4.21Å; V614-L633 HydrophobicContact CG1-CG 4.48Å; L633-A635 WeakPolarHBondContact CB-O 3.49Å; L633-A635 PolarHBondContact O-N 3.32Å; L633-P637 HydrophobicContact CD1-CB 3.76Å; L633-P637 HydrophobicContact CD1-CG 3.82Å; L633-I667 HydrophobicContact CD1-CG2 3.94Å; L633-I667 HydrophobicContact CD2-CD1 3.96Å; L633-I667 HydrophobicContact CD2-CG2 4.25Å; L633-L669 HydrophobicContact CB-CD2 4.24Å; L633-L669 HydrophobicContact CD1-CD2 3.96Å; L633-L675 HydrophobicContact CD2-CD1 3.78Å | ||
| 634 | P | 92.3 | Very high | 93.3 | Very high | 104 Ų | 104 | 40.1 Ų | 40.1 | 68% | 0.675 | 23% | 0.228 | S | C | * | . | S | Bend | trans | -63.9 | -26.9 | 177.5 | -21.1 | 31.5 | 0 | 0 | 0 | 114.2 | L669 | P634-L669 HydrophobicContact CG-CD1 4.37Š|
| 635 | A | 94.3 | Very high | 92.7 | Very high | 17 Ų | 17 | 40 Ų | 40 | 14% | 0.14 | 23% | 0.227 | C | C | . | . | S | Bend | trans | -148.1 | 172.8 | -178.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | L633 L669 N671 | L633-A635 WeakPolarHBondContact CB-O 3.49Å; L633-A635 PolarHBondContact O-N 3.32Å; A635-L669 HydrophobicContact CB-CB 4.44Å; A635-L669 HydrophobicContact CB-CD1 4.28Å; A635-N671 HydrophobicContact CB-CB 4.4Å |
| 636 | Q | 96.6 | Very high | 91.3 | Very high | 43 Ų | 43 | 40.6 Ų | 40.6 | 20% | 0.201 | 23% | 0.234 | C | C | . | . | trans | -64.3 | 133.9 | 179.9 | -169.9 | 173.5 | 22.2 | 0 | 0 | 110.9 | V588 N612 Q670 | V588-Q636 HydrophobicContact CG2-CG 4.5Å; N612-Q636 WeakPolarHBondContact OD1-CA 3.48Å; N612-Q636 WeakPolarHBondContact OD1-CB 3.28Å; N612-Q636 PolarHBondContact OD1-N 3.29Å; N612-Q636 VanDerWaalsContact OD1-N 3.14Å; Q636-Q670 HydrophobicContact CB-CG 4.33Å; Q636-Q670 PolarHBondContact O-N 2.9Å; Q636-Q670 VanDerWaalsContact OE1-OE1 3.12Å | ||
| 637 | P | 96.8 | Very high | 89.7 | Confident | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 133 | 175.4 | 29.6 | -32.2 | 0 | 0 | 0 | 110.7 | V588 L633 I667 L669 | V588-P637 HydrophobicContact CG2-CG 3.89Å; V588-P637 WeakPolarHBondContact CG2-O 3.35Å; L633-P637 HydrophobicContact CD1-CB 3.76Å; L633-P637 HydrophobicContact CD1-CG 3.82Å; P637-I667 HydrophobicContact CB-CG2 4.26Å; P637-L669 HydrophobicContact CB-CD2 4.32Å |
| 638 | E | 96.5 | Very high | 87.6 | Confident | 49 Ų | 49 | 37.9 Ų | 37.9 | 23% | 0.229 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96 | -38.5 | 175.2 | -176.4 | 62.9 | -158.4 | 0 | 0 | 111.2 | C589 G668 Q670 P698 | C589-E638 WeakPolarHBondContact CB-O 3.28Å; E638-G668 PolarHBondContact N-O 3.08Å; E638-Q670 HydrophobicContact CB-CG 4.15Å; E638-Q670 WeakPolarHBondContact OE2-CG 3.46Å; E638-Q670 PolarHBondContact OE2-NE2 2.8Å; E638-P698 HydrophobicContact CB-CB 4.24Å; E638-P698 HydrophobicContact CG-CB 3.77Å |
| 639 | S | 96.4 | Very high | 85.2 | Confident | 14 Ų | 14 | 42.9 Ų | 42.9 | 10% | 0.098 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 158 | -178.5 | 66.8 | 0 | 0 | 0 | 0 | 112.6 | G668 V699 K700 L701 | S639-G668 PolarHBondContact N-O 2.94Å; S639-G668 PolarHBondContact O-N 2.87Å; S639-V699 PolarHBondContact OG-O 3.33Å; S639-K700 VanDerWaalsContact OG-CA 3.3Å; S639-K700 WeakPolarHBondContact OG-CA 3.37Å; S639-L701 WeakPolarHBondContact OG-CG 3.33Å; S639-L701 PolarHBondContact OG-N 3.4Å |
| 640 | L | 97.1 | Very high | 82.6 | Confident | 11 Ų | 11 | 48 Ų | 48 | 6% | 0.058 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 143.8 | 179.4 | -66.2 | 172.4 | 0 | 0 | 0 | 109.4 | S591 A606 V614 L665 N666 I667 | S591-L640 VanDerWaalsContact CB-O 3.3Å; S591-L640 WeakPolarHBondContact CB-O 3.36Å; S591-L640 PolarHBondContact OG-O 3.46Å; A606-L640 HydrophobicContact CB-CD1 4.08Å; V614-L640 HydrophobicContact CG2-CD1 4.01Å; V614-L640 HydrophobicContact CG2-CD2 3.95Å; L640-L665 HydrophobicContact CD2-CD1 4.42Å; L640-N666 CarbonylContact C-O 3.6Å; L640-N666 WeakPolarHBondContact CA-O 3.38Å; L640-I667 HydrophobicContact CD2-CB 3.98Å; L640-I667 HydrophobicContact CD2-CG1 3.75Å; L640-I667 HydrophobicContact CD2-CG2 3.74Å |
| 641 | C | 95.9 | Very high | 79.6 | Confident | 3 Ų | 3 | 50.8 Ų | 50.8 | 2% | 0.02 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 109.7 | 173.2 | -173 | 0 | 0 | 0 | 0 | 111.2 | S591 N666 L701 R703 V712 | S591-C641 VanDerWaalsContact OG-CA 3.29Å; S591-C641 WeakPolarHBondContact OG-CA 3.5Å; C641-N666 HydrophobicContact CB-CB 4.34Å; C641-N666 PolarHBondContact N-O 3.42Å; C641-N666 WeakPolarHBondContact O-CB 3.13Å; C641-N666 PolarHBondContact O-N 2.84Å; C641-N666 PolarHBondContact O-ND2 3.43Å; C641-L701 HydrophobicContact CB-CB 3.78Å; C641-L701 HydrophobicContact CB-CD1 4.16Å; C641-R703 WeakPolarHBondContact SG-CG 3.38Å; C641-V712 HydrophobicContact CB-CG1 4.44Å |
| 642 | I | 94.4 | Very high | 76.8 | Confident | 1 Ų | 1 | 53.5 Ų | 53.5 | 1% | 0.005 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 133.8 | 166.9 | -52.5 | 170.8 | 0 | 0 | 0 | 108.2 | S591 A593 F604 A606 L663 Y664 L665 L679 R703 | S591-I642 PolarHBondContact OG-N 2.91Å; S591-I642 VanDerWaalsContact OG-N 3.09Å; A593-I642 HydrophobicContact CB-CB 4.03Å; A593-I642 HydrophobicContact CB-CD1 4.46Å; A593-I642 HydrophobicContact CB-CG2 3.74Å; F604-I642 HydrophobicContact CB-CD1 4.46Å; A606-I642 HydrophobicContact CB-CD1 3.97Å; A606-I642 HydrophobicContact CB-CG1 4.23Å; I642-L663 HydrophobicContact CG2-CD2 4.13Å; I642-Y664 CarbonylContact C-O 3.59Å; I642-Y664 VanDerWaalsContact CA-O 3.3Å; I642-Y664 WeakPolarHBondContact CA-O 3.38Å; I642-L665 HydrophobicContact CG1-CD1 3.74Å; I642-L679 HydrophobicContact CG2-CD2 4.33Å; I642-R703 PolarHBondContact O-NE 2.78Å; I642-R703 PolarHBondContact O-NH2 2.67Å |
| 643 | V | 91.1 | Very high | 74.2 | Confident | 2 Ų | 2 | 59.7 Ų | 59.7 | 1% | 0.012 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 147.5 | 177.6 | 70 | 0 | 0 | 0 | 0 | 110.1 | M645 Y664 E710 V712 | V643-M645 HydrophobicContact CB-CE 4.49Å; V643-M645 HydrophobicContact CG1-CE 3.76Å; V643-M645 HydrophobicContact CG1-CG 3.83Å; V643-M645 HydrophobicContact CG1-SD 3.63Å; V643-M645 HydrophobicContact CG2-CE 4.02Å; V643-M645 HydrophobicContact CG2-CG 4.03Å; V643-Y664 PolarHBondContact N-O 2.92Å; V643-Y664 PolarHBondContact O-N 2.87Å; V643-E710 HydrophobicContact CG2-CB 3.68Å; V643-V712 HydrophobicContact CB-CG2 3.91Å; V643-V712 HydrophobicContact CG1-CG2 3.6Å; V643-V712 HydrophobicContact CG2-CG2 4.21Å |
| 644 | E | 86.9 | Confident | 71.6 | Confident | 81 Ų | 81 | 66.6 Ų | 66.6 | 38% | 0.379 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 122.1 | 169 | -172.1 | -179.5 | 167.9 | 0 | 0 | 109 | G661 F662 | E644-G661 VanDerWaalsContact OE1-CA 3.26Å; E644-G661 WeakPolarHBondContact OE1-CA 3.22Å; E644-G661 PolarHBondContact OE1-N 2.65Å; E644-F662 WeakPolarHBondContact CA-O 3.3Å |
| 645 | M | 79.4 | Confident | 68.6 | Low | 5 Ų | 5 | 64.8 Ų | 64.8 | 3% | 0.025 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 153.8 | -178.3 | -72.4 | 172.9 | 165.7 | 0 | 0 | 111.1 | V643 F662 Y664 E710 V712 S722 F729 | V643-M645 HydrophobicContact CB-CE 4.49Å; V643-M645 HydrophobicContact CG1-CE 3.76Å; V643-M645 HydrophobicContact CG1-CG 3.83Å; V643-M645 HydrophobicContact CG1-SD 3.63Å; V643-M645 HydrophobicContact CG2-CE 4.02Å; V643-M645 HydrophobicContact CG2-CG 4.03Å; M645-F662 PolarHBondContact N-O 2.71Å; M645-F662 PolarHBondContact O-N 2.87Å; M645-Y664 HydrophobicContact CB-CD2 4.03Å; M645-Y664 HydrophobicContact CB-CE2 4.11Å; M645-E710 WeakPolarHBondContact CE-O 3.49Å; M645-V712 HydrophobicContact CE-CB 4.16Å; M645-V712 HydrophobicContact CE-CG2 3.62Å; M645-S722 VanDerWaalsContact CE-O 3.26Å; M645-S722 WeakPolarHBondContact CE-O 3.4Å; M645-F729 HydrophobicContact CB-CE1 3.77Å; M645-F729 HydrophobicContact CB-CZ 4.24Å; M645-F729 HydrophobicContact SD-CE1 4.02Å |
| 646 | G | 63.3 | Low | 65.7 | Low | 18 Ų | 18 | 70.1 Ų | 70.1 | 19% | 0.186 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 80.7 | 35.7 | 165.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||
| 647 | G | 57.3 | Low | 62.8 | Low | 21 Ų | 21 | 76.2 Ų | 76.2 | 22% | 0.216 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 140.7 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | I660 | G647-I660 VanDerWaalsContact CA-O 3.27Å; G647-I660 WeakPolarHBondContact CA-O 3.06Å |
| 648 | V | 45.9 | Very low | 60 | Low | 100 Ų | 100 | 77.6 Ų | 77.6 | 61% | 0.606 | 41% | 0.414 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 127.9 | 168.9 | -175.7 | 0 | 0 | 0 | 0 | 107.6 | K650 | V648-K650 PolarHBondContact O-N 3.11Å |
| 649 | E | 41.8 | Very low | 57.6 | Low | 159 Ų | 159 | 79 Ų | 79 | 74% | 0.743 | 43% | 0.426 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -61.2 | 111.2 | 171.4 | -69.2 | -170.1 | 162.2 | 0 | 0 | 109 | ||
| 650 | K | 35.6 | Very low | 55.5 | Low | 125 Ų | 125 | 83.8 Ų | 83.8 | 54% | 0.543 | 45% | 0.449 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 124.7 | 162.7 | -88.2 | -175.5 | 174.4 | 179.3 | 0 | 108.1 | V648 D652 G658 I660 | V648-K650 PolarHBondContact O-N 3.11Å; K650-D652 PolarHBondContact O-N 3.23Å; K650-G658 PolarHBondContact N-O 2.89Å; K650-I660 HydrophobicContact CD-CD1 4.37Å |
| 651 | Q | 30.6 | Very low | 53.9 | Low | 178 Ų | 178 | 83.9 Ų | 83.9 | 83% | 0.832 | 45% | 0.453 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 107.7 | 158.4 | -86.9 | -179.5 | -12.3 | 0 | 0 | 107.4 | ||
| 652 | D | 34.1 | Very low | 53 | Low | 98 Ų | 98 | 89.6 Ų | 89.6 | 52% | 0.524 | 48% | 0.477 | S | S | . | . | trans | -72.3 | 150.8 | 164.4 | -77.1 | -25 | 0 | 0 | 0 | 109.6 | K650 I654 G655 | K650-D652 PolarHBondContact O-N 3.23Å; D652-I654 PolarHBondContact O-N 3.3Å; D652-G655 PolarHBondContact O-N 3.08Å | ||
| 653 | E | 37.9 | Very low | 52.7 | Low | 209 Ų | 209 | 91.1 Ų | 91.1 | 98% | 0.977 | 49% | 0.485 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | -3.7 | -175.7 | -66.2 | -175.1 | 157.6 | 0 | 0 | 114.7 | ||
| 654 | I | 38.5 | Very low | 52.6 | Low | 161 Ų | 161 | 92.1 Ų | 92.1 | 83% | 0.826 | 49% | 0.489 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.5 | -4.4 | -178.9 | -57.3 | 174.9 | 0 | 0 | 0 | 112 | D652 | D652-I654 PolarHBondContact O-N 3.3Š|
| 655 | G | 30.7 | Very low | 53 | Low | 65 Ų | 65 | 88.2 Ų | 88.2 | 67% | 0.67 | 47% | 0.471 | S | S | * | . | S | Bend | trans | 82.5 | 8.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | D652 | D652-G655 PolarHBondContact O-N 3.08Š|
| 656 | D | 33 | Very low | 53.8 | Low | 129 Ų | 129 | 88 Ų | 88 | 69% | 0.69 | 47% | 0.47 | S | S | * | . | trans | -85 | 131.2 | 169.4 | -124.1 | -14.2 | 0 | 0 | 0 | 110 | G658 | D656-G658 PolarHBondContact O-N 3.09Š| ||
| 657 | K | 35.5 | Very low | 55.4 | Low | 171 Ų | 171 | 87.1 Ų | 87.1 | 74% | 0.743 | 46% | 0.461 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 92.3 | 179.4 | -70.4 | -174.5 | 177.9 | -172 | 0 | 109.2 | ||
| 658 | G | 38.2 | Very low | 57.2 | Low | 30 Ų | 30 | 86.1 Ų | 86.1 | 31% | 0.309 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 118.6 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | K650 D656 | K650-G658 PolarHBondContact N-O 2.89Å; D656-G658 PolarHBondContact O-N 3.09Å |
| 659 | T | 46.3 | Very low | 59.6 | Low | 78 Ų | 78 | 81.4 Ų | 81.4 | 48% | 0.479 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 117.3 | 167.6 | -28.9 | 0 | 0 | 0 | 0 | 107.7 | ||
| 660 | I | 52.6 | Low | 62.1 | Low | 114 Ų | 114 | 77.5 Ų | 77.5 | 59% | 0.585 | 40% | 0.404 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 101.8 | 173.7 | -56.7 | 174.2 | 0 | 0 | 0 | 107.4 | G647 K650 | G647-I660 VanDerWaalsContact CA-O 3.27Å; G647-I660 WeakPolarHBondContact CA-O 3.06Å; K650-I660 HydrophobicContact CD-CD1 4.37Å |
| 661 | G | 62.9 | Low | 64.8 | Low | 13 Ų | 13 | 75 Ų | 75 | 13% | 0.134 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 165.7 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | E644 | E644-G661 VanDerWaalsContact OE1-CA 3.26Å; E644-G661 WeakPolarHBondContact OE1-CA 3.22Å; E644-G661 PolarHBondContact OE1-N 2.65Å |
| 662 | F | 77.8 | Confident | 67.6 | Low | 123 Ų | 123 | 66.5 Ų | 66.5 | 54% | 0.539 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 140.9 | 170.3 | -64.9 | -81.6 | 0 | 0 | 0 | 109.6 | E644 M645 Y664 | E644-F662 WeakPolarHBondContact CA-O 3.3Å; M645-F662 PolarHBondContact N-O 2.71Å; M645-F662 PolarHBondContact O-N 2.87Å; F662-Y664 HydrophobicContact CB-CD2 4.45Å; F662-Y664 HydrophobicContact CB-CE2 3.63Å; F662-Y664 VanDerWaalsContact O-CD2 3.29Å; F662-Y664 WeakPolarHBondContact O-CD2 3.33Å; F662-Y664 WeakPolarHBondContact O-CE2 3.4Å |
| 663 | L | 87.3 | Confident | 70.3 | Confident | 33 Ų | 33 | 62.8 Ų | 62.8 | 17% | 0.173 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 130.4 | 172.6 | -93.1 | 82.1 | 0 | 0 | 0 | 110.7 | F604 I642 L679 | F604-L663 HydrophobicContact CD2-CD2 4.14Å; I642-L663 HydrophobicContact CG2-CD2 4.13Å; L663-L679 HydrophobicContact CB-CB 4.23Å; L663-L679 HydrophobicContact CD2-CD2 4.11Å; L663-L679 PolarHBondContact O-N 2.74Å |
| 664 | Y | 90.3 | Very high | 73 | Confident | 23 Ų | 23 | 53.1 Ų | 53.1 | 9% | 0.09 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 136.1 | 174.8 | -64.4 | -84.8 | 0 | 0 | 0 | 110.6 | I642 V643 M645 F662 R676 T677 V678 F729 | I642-Y664 CarbonylContact C-O 3.59Å; I642-Y664 VanDerWaalsContact CA-O 3.3Å; I642-Y664 WeakPolarHBondContact CA-O 3.38Å; V643-Y664 PolarHBondContact N-O 2.92Å; V643-Y664 PolarHBondContact O-N 2.87Å; M645-Y664 HydrophobicContact CB-CD2 4.03Å; M645-Y664 HydrophobicContact CB-CE2 4.11Å; F662-Y664 HydrophobicContact CB-CD2 4.45Å; F662-Y664 HydrophobicContact CB-CE2 3.63Å; F662-Y664 VanDerWaalsContact O-CD2 3.29Å; F662-Y664 WeakPolarHBondContact O-CD2 3.33Å; F662-Y664 WeakPolarHBondContact O-CE2 3.4Å; Y664-R676 HydrophobicContact CD1-CG 4Å; Y664-R676 HydrophobicContact CG-CG 4.49Å; Y664-T677 WeakPolarHBondContact CA-O 3.27Å; Y664-V678 HydrophobicContact CD1-CG2 4.14Å; Y664-V678 HydrophobicContact CE1-CG2 3.73Å; Y664-F729 HydrophobicContact CD2-CE1 4.38Å; Y664-F729 HydrophobicContact CD2-CZ 4.3Å; Y664-F729 HydrophobicContact CE1-CZ 4.23Å; Y664-F729 AromaticContact CE2-CE1 3.86Å; Y664-F729 HydrophobicContact CE2-CE1 3.86Å; Y664-F729 HydrophobicContact CE2-CE2 4.35Å; Y664-F729 AromaticContact CE2-CZ 3.37Å; Y664-F729 HydrophobicContact CE2-CZ 3.37Å; Y664-F729 AromaticContact CZ-CE2 3.9Å; Y664-F729 AromaticContact CZ-CZ 3.33Å; Y664-F729 WeakPolarHBondContact OH-CE2 3.34Å; Y664-F729 WeakPolarHBondContact OH-CZ 3.35Å |
| 665 | L | 94.4 | Very high | 75.5 | Confident | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 116.4 | 165.4 | 177.5 | 66.4 | 0 | 0 | 0 | 109.4 | A606 V614 I616 L640 I642 I667 T677 L686 | A606-L665 HydrophobicContact CB-CD1 3.68Å; V614-L665 HydrophobicContact CG2-CD2 4.27Å; I616-L665 HydrophobicContact CD1-CD2 3.83Å; L640-L665 HydrophobicContact CD2-CD1 4.42Å; I642-L665 HydrophobicContact CG1-CD1 3.74Å; L665-I667 HydrophobicContact CD2-CD1 4.04Å; L665-I667 HydrophobicContact CD2-CG1 4.1Å; L665-I667 HydrophobicContact CG-CD1 4.34Å; L665-I667 HydrophobicContact CG-CG1 3.91Å; L665-T677 PolarHBondContact N-O 3.2Å; L665-T677 PolarHBondContact O-N 2.99Å; L665-L686 HydrophobicContact CB-CD2 4.27Å; L665-L686 HydrophobicContact CD2-CD1 4.26Å; L665-L686 HydrophobicContact CD2-CD2 3.74Å |
| 666 | N | 95.4 | Very high | 78.3 | Confident | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 132.7 | 171.4 | -59.8 | -84.1 | 0 | 0 | 0 | 109.5 | L640 C641 L674 L675 L701 | L640-N666 CarbonylContact C-O 3.6Å; L640-N666 WeakPolarHBondContact CA-O 3.38Å; C641-N666 HydrophobicContact CB-CB 4.34Å; C641-N666 PolarHBondContact N-O 3.42Å; C641-N666 WeakPolarHBondContact O-CB 3.13Å; C641-N666 PolarHBondContact O-N 2.84Å; C641-N666 PolarHBondContact O-ND2 3.43Å; N666-L674 HydrophobicContact CB-CD1 4.32Å; N666-L675 CarbonylContact C-O 3.47Å; N666-L675 WeakPolarHBondContact CA-O 3.41Å; N666-L701 HydrophobicContact CB-CD1 3.83Å; N666-L701 HydrophobicContact CB-CD2 4.41Å; N666-L701 WeakPolarHBondContact O-CD1 3.24Å |
| 667 | I | 96.7 | Very high | 81.1 | Confident | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 113.5 | -176.1 | -47.9 | 170.8 | 0 | 0 | 0 | 108.6 | V614 L633 P637 L640 L665 L669 L674 L675 | V614-I667 HydrophobicContact CG1-CD1 3.86Å; L633-I667 HydrophobicContact CD1-CG2 3.94Å; L633-I667 HydrophobicContact CD2-CD1 3.96Å; L633-I667 HydrophobicContact CD2-CG2 4.25Å; P637-I667 HydrophobicContact CB-CG2 4.26Å; L640-I667 HydrophobicContact CD2-CB 3.98Å; L640-I667 HydrophobicContact CD2-CG1 3.75Å; L640-I667 HydrophobicContact CD2-CG2 3.74Å; L665-I667 HydrophobicContact CD2-CD1 4.04Å; L665-I667 HydrophobicContact CD2-CG1 4.1Å; L665-I667 HydrophobicContact CG-CD1 4.34Å; L665-I667 HydrophobicContact CG-CG1 3.91Å; I667-L669 HydrophobicContact CG2-CD2 3.88Å; I667-L674 WeakPolarHBondContact O-CA 3.31Å; I667-L675 HydrophobicContact CB-CB 4.15Å; I667-L675 HydrophobicContact CB-CD1 4.49Å; I667-L675 PolarHBondContact N-O 2.92Å; I667-L675 PolarHBondContact O-N 2.92Å |
| 668 | G | 96.8 | Very high | 83.6 | Confident | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 126.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | E638 S639 | E638-G668 PolarHBondContact N-O 3.08Å; S639-G668 PolarHBondContact N-O 2.94Å; S639-G668 PolarHBondContact O-N 2.87Å |
| 669 | L | 96.1 | Very high | 86 | Confident | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 159.2 | 179.9 | -56.4 | -174 | 0 | 0 | 0 | 112 | L633 P634 A635 P637 I667 N671 G672 V673 L675 V699 | L633-L669 HydrophobicContact CB-CD2 4.24Å; L633-L669 HydrophobicContact CD1-CD2 3.96Å; P634-L669 HydrophobicContact CG-CD1 4.37Å; A635-L669 HydrophobicContact CB-CB 4.44Å; A635-L669 HydrophobicContact CB-CD1 4.28Å; P637-L669 HydrophobicContact CB-CD2 4.32Å; I667-L669 HydrophobicContact CG2-CD2 3.88Å; L669-N671 VanDerWaalsContact C-N 3.26Å; L669-N671 VanDerWaalsContact CB-OD1 3.22Å; L669-N671 WeakPolarHBondContact CB-OD1 3.32Å; L669-N671 PolarHBondContact O-N 2.81Å; L669-G672 PolarHBondContact O-N 2.81Å; L669-V673 HydrophobicContact CB-CB 4.4Å; L669-V673 WeakPolarHBondContact CB-O 3.41Å; L669-V673 HydrophobicContact CD1-CB 4.14Å; L669-V673 HydrophobicContact CD1-CG1 4.27Å; L669-V673 PolarHBondContact N-O 3.03Å; L669-L675 HydrophobicContact CD1-CD1 3.99Å; L669-L675 HydrophobicContact CD2-CD1 4.41Å; L669-L675 HydrophobicContact CG-CD1 4.32Å; L669-V699 PolarHBondContact O-N 2.91Å; L669-V699 VanDerWaalsContact O-N 3.07Å |
| 670 | Q | 94.4 | Very high | 87.8 | Confident | 78 Ų | 78 | 29 Ų | 29 | 36% | 0.364 | 15% | 0.147 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -26.7 | 178.1 | -77.3 | -176.9 | -5.5 | 0 | 0 | 114.5 | Q636 E638 G672 P698 | Q636-Q670 HydrophobicContact CB-CG 4.33Å; Q636-Q670 PolarHBondContact O-N 2.9Å; Q636-Q670 VanDerWaalsContact OE1-OE1 3.12Å; E638-Q670 HydrophobicContact CB-CG 4.15Å; E638-Q670 WeakPolarHBondContact OE2-CG 3.46Å; E638-Q670 PolarHBondContact OE2-NE2 2.8Å; Q670-G672 PolarHBondContact O-N 2.95Å; Q670-P698 WeakPolarHBondContact O-CA 3.41Å |
| 671 | N | 91.1 | Very high | 89.1 | Confident | 72 Ų | 72 | 27.4 Ų | 27.4 | 39% | 0.385 | 14% | 0.144 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | 9.8 | 179 | 67.8 | -11.2 | 0 | 0 | 0 | 113.5 | A635 L669 V673 Y693 | A635-N671 HydrophobicContact CB-CB 4.4Å; L669-N671 VanDerWaalsContact C-N 3.26Å; L669-N671 VanDerWaalsContact CB-OD1 3.22Å; L669-N671 WeakPolarHBondContact CB-OD1 3.32Å; L669-N671 PolarHBondContact O-N 2.81Å; N671-V673 WeakPolarHBondContact OD1-CB 3.08Å; N671-V673 WeakPolarHBondContact OD1-CG2 3.47Å; N671-V673 PolarHBondContact OD1-N 2.77Å; N671-Y693 WeakPolarHBondContact O-CE2 3.44Å |
| 672 | G | 90.1 | Very high | 90 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 17% | 0.168 | C | C | . | . | S | Bend | trans | 85.8 | 9.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | L669 Q670 L694 G695 R697 | L669-G672 PolarHBondContact O-N 2.81Å; Q670-G672 PolarHBondContact O-N 2.95Å; G672-L694 PolarHBondContact O-N 2.83Å; G672-G695 VanDerWaalsContact CA-O 3.24Å; G672-G695 WeakPolarHBondContact CA-O 3.45Å; G672-R697 VanDerWaalsContact CA-O 3.29Å; G672-R697 WeakPolarHBondContact CA-O 3.32Å |
| 673 | V | 91.3 | Very high | 90.3 | Very high | 20 Ų | 20 | 28.9 Ų | 28.9 | 12% | 0.121 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 133.5 | 176.9 | 175.8 | 0 | 0 | 0 | 0 | 110.8 | L669 N671 L675 T691 R692 Y693 | L669-V673 HydrophobicContact CB-CB 4.4Å; L669-V673 WeakPolarHBondContact CB-O 3.41Å; L669-V673 HydrophobicContact CD1-CB 4.14Å; L669-V673 HydrophobicContact CD1-CG1 4.27Å; L669-V673 PolarHBondContact N-O 3.03Å; N671-V673 WeakPolarHBondContact OD1-CB 3.08Å; N671-V673 WeakPolarHBondContact OD1-CG2 3.47Å; N671-V673 PolarHBondContact OD1-N 2.77Å; V673-L675 HydrophobicContact CG1-CD2 4.49Å; V673-L675 HydrophobicContact CG1-CG 4.44Å; V673-T691 HydrophobicContact CG1-CG2 3.38Å; V673-R692 CarbonylContact C-O 3.52Å; V673-R692 WeakPolarHBondContact CA-O 3.4Å; V673-Y693 HydrophobicContact CG2-CD2 4.11Å |
| 674 | L | 93.4 | Very high | 90 | Very high | 6 Ų | 6 | 27.3 Ų | 27.3 | 3% | 0.031 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 130.5 | 168 | 176.3 | 62.3 | 0 | 0 | 0 | 109.7 | N666 I667 R692 L694 L701 A714 L731 | N666-L674 HydrophobicContact CB-CD1 4.32Å; I667-L674 WeakPolarHBondContact O-CA 3.31Å; L674-R692 PolarHBondContact N-O 3.43Å; L674-R692 PolarHBondContact O-N 2.84Å; L674-L694 HydrophobicContact CB-CD1 3.73Å; L674-L694 HydrophobicContact CB-CD2 4.46Å; L674-L694 HydrophobicContact CB-CG 3.93Å; L674-L694 HydrophobicContact CD2-CD1 3.98Å; L674-L694 HydrophobicContact CG-CD1 4.43Å; L674-L701 HydrophobicContact CD1-CD1 4.2Å; L674-L701 HydrophobicContact CD1-CD2 3.75Å; L674-A714 HydrophobicContact CD2-CB 4.16Å; L674-L731 HydrophobicContact CD2-CD1 4.48Å; L674-L731 HydrophobicContact CD2-CD2 3.97Å |
| 675 | L | 91.7 | Very high | 89.8 | Confident | 6 Ų | 6 | 30.6 Ų | 30.6 | 3% | 0.031 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 133.8 | 169.3 | -57.5 | 157.9 | 0 | 0 | 0 | 109.2 | L633 N666 I667 L669 V673 T689 R690 T691 | L633-L675 HydrophobicContact CD2-CD1 3.78Å; N666-L675 CarbonylContact C-O 3.47Å; N666-L675 WeakPolarHBondContact CA-O 3.41Å; I667-L675 HydrophobicContact CB-CB 4.15Å; I667-L675 HydrophobicContact CB-CD1 4.49Å; I667-L675 PolarHBondContact N-O 2.92Å; I667-L675 PolarHBondContact O-N 2.92Å; L669-L675 HydrophobicContact CD1-CD1 3.99Å; L669-L675 HydrophobicContact CD2-CD1 4.41Å; L669-L675 HydrophobicContact CG-CD1 4.32Å; V673-L675 HydrophobicContact CG1-CD2 4.49Å; V673-L675 HydrophobicContact CG1-CG 4.44Å; L675-T689 HydrophobicContact CB-CG2 4.1Å; L675-T689 HydrophobicContact CD2-CG2 3.71Å; L675-T689 HydrophobicContact CG-CG2 4.45Å; L675-R690 CarbonylContact C-O 3.56Å; L675-R690 VanDerWaalsContact CA-O 3.25Å; L675-R690 WeakPolarHBondContact CA-O 3.42Å; L675-T691 HydrophobicContact CD2-CG2 3.75Å; L675-T691 WeakPolarHBondContact CD2-OG1 3.37Å |
| 676 | R | 90.3 | Very high | 89.4 | Confident | 26 Ų | 26 | 32.3 Ų | 32.3 | 10% | 0.098 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 125 | 169.1 | -176.9 | 177.9 | 71.8 | -151.8 | 5.5 | 108.7 | Y664 T689 R690 | Y664-R676 HydrophobicContact CD1-CG 4Å; Y664-R676 HydrophobicContact CG-CG 4.49Å; R676-T689 CarbonylContact O-C 3.58Å; R676-T689 VanDerWaalsContact O-CA 3.32Å; R676-T689 WeakPolarHBondContact O-CA 3.39Å; R676-R690 PolarHBondContact N-O 2.92Å; R676-R690 VanDerWaalsContact NH2-NH1 3.14Å; R676-R690 PolarHBondContact O-N 2.55Å |
| 677 | T | 90.1 | Very high | 88.9 | Confident | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 135.9 | -175.4 | -53.3 | 0 | 0 | 0 | 0 | 109.2 | Y664 L665 L679 L686 S687 T689 | Y664-T677 WeakPolarHBondContact CA-O 3.27Å; L665-T677 PolarHBondContact N-O 3.2Å; L665-T677 PolarHBondContact O-N 2.99Å; T677-L679 PolarHBondContact O-N 3.08Å; T677-L686 HydrophobicContact CG2-CB 3.68Å; T677-L686 HydrophobicContact CG2-CD2 3.94Å; T677-L686 HydrophobicContact CG2-CG 4.36Å; T677-S687 VanDerWaalsContact CG2-O 3.25Å; T677-S687 WeakPolarHBondContact CG2-O 3.22Å; T677-T689 WeakPolarHBondContact CG2-OG1 3.27Å; T677-T689 PolarHBondContact OG1-OG1 2.91Å |
| 678 | V | 88 | Confident | 88 | Confident | 35 Ų | 35 | 38 Ų | 38 | 21% | 0.212 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 127.9 | 173.8 | 178.7 | 0 | 0 | 0 | 0 | 108.2 | Y664 L686 S687 D688 | Y664-V678 HydrophobicContact CD1-CG2 4.14Å; Y664-V678 HydrophobicContact CE1-CG2 3.73Å; V678-L686 WeakPolarHBondContact O-CA 3.43Å; V678-S687 WeakPolarHBondContact CB-O 3.22Å; V678-S687 PolarHBondContact N-O 3.2Å; V678-S687 PolarHBondContact O-N 3.47Å; V678-D688 HydrophobicContact CG2-CB 4.08Å |
| 679 | L | 88.6 | Confident | 87.4 | Confident | 1 Ų | 1 | 39.9 Ų | 39.9 | 1% | 0.005 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 115.8 | 174.7 | 179.3 | 67.1 | 0 | 0 | 0 | 108.4 | F604 I616 I642 L663 T677 G684 L686 | F604-L679 HydrophobicContact CB-CD2 4.08Å; F604-L679 HydrophobicContact CD2-CD2 4.08Å; F604-L679 HydrophobicContact CG-CD2 4.05Å; I616-L679 HydrophobicContact CD1-CD1 4.43Å; I616-L679 HydrophobicContact CG1-CD1 4.17Å; I616-L679 HydrophobicContact CG2-CD1 4.31Å; I642-L679 HydrophobicContact CG2-CD2 4.33Å; L663-L679 HydrophobicContact CB-CB 4.23Å; L663-L679 HydrophobicContact CD2-CD2 4.11Å; L663-L679 PolarHBondContact O-N 2.74Å; T677-L679 PolarHBondContact O-N 3.08Å; L679-G684 WeakPolarHBondContact CD1-O 3.15Å; L679-L686 HydrophobicContact CB-CD2 4.43Å; L679-L686 HydrophobicContact CD1-CD2 3.76Å |
| 680 | D | 85 | Confident | 86.7 | Confident | 58 Ų | 58 | 42.2 Ų | 42.2 | 31% | 0.31 | 24% | 0.236 | S | C | . | . | trans | -65.1 | 123.4 | 176.7 | -175.5 | -53.1 | 0 | 0 | 0 | 110 | V682 T683 G684 D685 | D680-V682 PolarHBondContact O-N 3.27Å; D680-V682 WeakPolarHBondContact OD1-CA 3.35Å; D680-V682 WeakPolarHBondContact OD1-CB 3.38Å; D680-V682 PolarHBondContact OD1-N 2.91Å; D680-T683 WeakPolarHBondContact CB-OG1 3.4Å; D680-T683 PolarHBondContact OD1-N 2.88Å; D680-T683 PolarHBondContact OD1-OG1 2.8Å; D680-T683 PolarHBondContact OD2-OG1 2.87Å; D680-G684 WeakPolarHBondContact O-CA 3.38Å; D680-G684 PolarHBondContact O-N 3.31Å; D680-D685 PolarHBondContact N-O 2.96Å | ||
| 681 | P | 79.3 | Confident | 86.2 | Confident | 82 Ų | 82 | 42.8 Ų | 42.8 | 53% | 0.532 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69 | -12.6 | -175.5 | 28 | -34.9 | 0 | 0 | 0 | 113.8 | F604 | F604-P681 WeakPolarHBondContact CE2-O 3.43Å; F604-P681 VanDerWaalsContact CZ-O 3.29Å; F604-P681 WeakPolarHBondContact CZ-O 3.31Å |
| 682 | V | 82.2 | Confident | 85.9 | Confident | 104 Ų | 104 | 41 Ų | 41 | 63% | 0.63 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -103.7 | -52 | -179.8 | -176.6 | 0 | 0 | 0 | 0 | 111.1 | D680 | D680-V682 PolarHBondContact O-N 3.27Å; D680-V682 WeakPolarHBondContact OD1-CA 3.35Å; D680-V682 WeakPolarHBondContact OD1-CB 3.38Å; D680-V682 PolarHBondContact OD1-N 2.91Å |
| 683 | T | 83.6 | Confident | 85.7 | Confident | 62 Ų | 62 | 46.6 Ų | 46.6 | 38% | 0.38 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90 | -26 | -172.7 | 61.9 | 0 | 0 | 0 | 0 | 113 | D680 D685 | D680-T683 WeakPolarHBondContact CB-OG1 3.4Å; D680-T683 PolarHBondContact OD1-N 2.88Å; D680-T683 PolarHBondContact OD1-OG1 2.8Å; D680-T683 PolarHBondContact OD2-OG1 2.87Å; T683-D685 WeakPolarHBondContact OG1-CB 3.3Å; T683-D685 PolarHBondContact OG1-N 3.42Å |
| 684 | G | 81.6 | Confident | 85.5 | Confident | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 25% | 0.252 | C | S | . | . | trans | 72.7 | 12.7 | -169 | 0 | 0 | 0 | 0 | 0 | 113.5 | S629 L679 D680 | S629-G684 WeakPolarHBondContact CB-O 3.38Å; S629-G684 PolarHBondContact OG-O 3.19Å; L679-G684 WeakPolarHBondContact CD1-O 3.15Å; D680-G684 WeakPolarHBondContact O-CA 3.38Å; D680-G684 PolarHBondContact O-N 3.31Å | ||
| 685 | D | 86.4 | Confident | 85 | Confident | 93 Ų | 93 | 46.2 Ų | 46.2 | 50% | 0.497 | 25% | 0.254 | S | S | . | . | trans | -71.7 | 147.6 | 175.3 | -76.1 | -24.1 | 0 | 0 | 0 | 111.4 | D680 T683 | D680-D685 PolarHBondContact N-O 2.96Å; T683-D685 WeakPolarHBondContact OG1-CB 3.3Å; T683-D685 PolarHBondContact OG1-N 3.42Å | ||
| 686 | L | 86.5 | Confident | 84.7 | Confident | 35 Ų | 35 | 50 Ų | 50 | 18% | 0.183 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 118.4 | -176.2 | -69.3 | 174.5 | 0 | 0 | 0 | 109.4 | V614 I616 Q631 L665 T677 V678 L679 | V614-L686 HydrophobicContact CG1-CD1 4.4Å; I616-L686 HydrophobicContact CD1-CD1 4.41Å; I616-L686 HydrophobicContact CD1-CD2 4.43Å; I616-L686 HydrophobicContact CG1-CD1 4.05Å; I616-L686 HydrophobicContact CG1-CD2 4.33Å; I616-L686 HydrophobicContact CG1-CG 4.26Å; Q631-L686 HydrophobicContact CB-CD1 3.83Å; L665-L686 HydrophobicContact CB-CD2 4.27Å; L665-L686 HydrophobicContact CD2-CD1 4.26Å; L665-L686 HydrophobicContact CD2-CD2 3.74Å; T677-L686 HydrophobicContact CG2-CB 3.68Å; T677-L686 HydrophobicContact CG2-CD2 3.94Å; T677-L686 HydrophobicContact CG2-CG 4.36Å; V678-L686 WeakPolarHBondContact O-CA 3.43Å; L679-L686 HydrophobicContact CB-CD2 4.43Å; L679-L686 HydrophobicContact CD1-CD2 3.76Å |
| 687 | S | 84.4 | Confident | 84.7 | Confident | 65 Ų | 65 | 52.6 Ų | 52.6 | 46% | 0.455 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 169.6 | -177 | 64.2 | 0 | 0 | 0 | 0 | 113 | T677 V678 T689 | T677-S687 VanDerWaalsContact CG2-O 3.25Å; T677-S687 WeakPolarHBondContact CG2-O 3.22Å; V678-S687 WeakPolarHBondContact CB-O 3.22Å; V678-S687 PolarHBondContact N-O 3.2Å; V678-S687 PolarHBondContact O-N 3.47Å; S687-T689 PolarHBondContact O-N 2.77Å |
| 688 | D | 77.4 | Confident | 84.9 | Confident | 56 Ų | 56 | 55.2 Ų | 55.2 | 30% | 0.299 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 44.2 | 54.9 | -176.3 | -168.7 | 25.2 | 0 | 0 | 0 | 114.6 | V678 R690 K1206 | V678-D688 HydrophobicContact CG2-CB 4.08Å; D688-R690 PolarHBondContact O-N 3.07Å; D688-R690 IonicContact OD2-CZ 2.68Å; D688-R690 IonicContact OD2-NE 3.57Å; D688-R690 IonicContact OD2-NH2 3.59Å; D688-R690 PolarHBondContact OD2-NH2 2.57Å; D688-K1206 IonicContact OD1-NZ 3.81Å; D688-K1206 PolarHBondContact OD1-NZ 2.97Å |
| 689 | T | 83.1 | Confident | 85.3 | Confident | 39 Ų | 39 | 53.6 Ų | 53.6 | 24% | 0.239 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.1 | 126 | 174.6 | -58 | 0 | 0 | 0 | 0 | 110.6 | Q631 L675 R676 T677 S687 K1206 | Q631-T689 PolarHBondContact NE2-OG1 2.98Å; L675-T689 HydrophobicContact CB-CG2 4.1Å; L675-T689 HydrophobicContact CD2-CG2 3.71Å; L675-T689 HydrophobicContact CG-CG2 4.45Å; R676-T689 CarbonylContact O-C 3.58Å; R676-T689 VanDerWaalsContact O-CA 3.32Å; R676-T689 WeakPolarHBondContact O-CA 3.39Å; T677-T689 WeakPolarHBondContact CG2-OG1 3.27Å; T677-T689 PolarHBondContact OG1-OG1 2.91Å; S687-T689 PolarHBondContact O-N 2.77Å; T689-K1206 PolarHBondContact O-NZ 2.84Å |
| 690 | R | 81.9 | Confident | 85.6 | Confident | 49 Ų | 49 | 56.3 Ų | 56.3 | 19% | 0.185 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 134.6 | 171.1 | -60.5 | -170.4 | -169.9 | -174.2 | -3.3 | 109.3 | L675 R676 D688 E1209 | L675-R690 CarbonylContact C-O 3.56Å; L675-R690 VanDerWaalsContact CA-O 3.25Å; L675-R690 WeakPolarHBondContact CA-O 3.42Å; R676-R690 PolarHBondContact N-O 2.92Å; R676-R690 VanDerWaalsContact NH2-NH1 3.14Å; R676-R690 PolarHBondContact O-N 2.55Å; D688-R690 PolarHBondContact O-N 3.07Å; D688-R690 IonicContact OD2-CZ 2.68Å; D688-R690 IonicContact OD2-NE 3.57Å; D688-R690 IonicContact OD2-NH2 3.59Å; D688-R690 PolarHBondContact OD2-NH2 2.57Å; R690-E1209 IonicContact CZ-OE2 3.37Å; R690-E1209 IonicContact NH1-OE1 2.79Å; R690-E1209 PolarHBondContact NH1-OE1 3.02Å; R690-E1209 IonicContact NH1-OE2 3.76Å; R690-E1209 PolarHBondContact NH1-OE2 2.68Å |
| 691 | T | 84.8 | Confident | 86.2 | Confident | 89 Ų | 89 | 54.3 Ų | 54.3 | 55% | 0.546 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 133 | -174.8 | -52.5 | 0 | 0 | 0 | 0 | 109.9 | V673 L675 | V673-T691 HydrophobicContact CG1-CG2 3.38Å; L675-T691 HydrophobicContact CD2-CG2 3.75Å; L675-T691 WeakPolarHBondContact CD2-OG1 3.37Å |
| 692 | R | 84.9 | Confident | 86.9 | Confident | 34 Ų | 34 | 51.3 Ų | 51.3 | 13% | 0.128 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 134.7 | 175.2 | -167.8 | 174 | -175.9 | 163.8 | 1.8 | 111.3 | V673 L674 L694 W720 L731 T1213 F1217 | V673-R692 CarbonylContact C-O 3.52Å; V673-R692 WeakPolarHBondContact CA-O 3.4Å; L674-R692 PolarHBondContact N-O 3.43Å; L674-R692 PolarHBondContact O-N 2.84Å; R692-L694 HydrophobicContact CG-CD2 4.16Å; R692-W720 VanDerWaalsContact NH2-CZ3 3.3Å; R692-L731 VanDerWaalsContact CD-CD2 3.41Å; R692-L731 PolarHBondContact NH1-O 2.8Å; R692-T1213 HydrophobicContact CG-CG2 4.36Å; R692-F1217 PolarHBondContact NH1-OXT 2.93Å; R692-F1217 PolarHBondContact NH2-OXT 2.97Å |
| 693 | Y | 86.2 | Confident | 87.4 | Confident | 119 Ų | 119 | 49.3 Ų | 49.3 | 47% | 0.467 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 125.2 | 171.2 | -178.9 | -102.3 | 0 | 0 | 0 | 109.6 | N671 V673 G695 S696 | N671-Y693 WeakPolarHBondContact O-CE2 3.44Å; V673-Y693 HydrophobicContact CG2-CD2 4.11Å; Y693-G695 WeakPolarHBondContact CE2-O 3.35Å; Y693-G695 VanDerWaalsContact OH-C 3.26Å; Y693-G695 PolarHBondContact OH-O 3.18Å; Y693-S696 WeakPolarHBondContact OH-CA 3.46Å; Y693-S696 PolarHBondContact OH-N 3.02Å |
| 694 | L | 85.3 | Confident | 87.8 | Confident | 10 Ų | 10 | 46.7 Ų | 46.7 | 5% | 0.052 | 24% | 0.242 | C | C | . | . | trans | -103.5 | -23.3 | -176.5 | -60.9 | -171.6 | 0 | 0 | 0 | 113.7 | G672 L674 R692 V699 A714 W720 L731 | G672-L694 PolarHBondContact O-N 2.83Å; L674-L694 HydrophobicContact CB-CD1 3.73Å; L674-L694 HydrophobicContact CB-CD2 4.46Å; L674-L694 HydrophobicContact CB-CG 3.93Å; L674-L694 HydrophobicContact CD2-CD1 3.98Å; L674-L694 HydrophobicContact CG-CD1 4.43Å; R692-L694 HydrophobicContact CG-CD2 4.16Å; L694-V699 HydrophobicContact CD1-CG1 3.92Å; L694-V699 HydrophobicContact CD1-CG2 4.23Å; L694-A714 HydrophobicContact CD1-CB 3.6Å; L694-W720 HydrophobicContact CD1-CB 4.47Å; L694-W720 HydrophobicContact CD1-CG 4.33Å; L694-W720 HydrophobicContact CD2-CB 4.48Å; L694-W720 HydrophobicContact CD2-CD2 3.8Å; L694-W720 HydrophobicContact CD2-CE3 4.27Å; L694-W720 HydrophobicContact CD2-CG 3.9Å; L694-W720 PolarHBondContact O-NE1 3.22Å; L694-W720 VanDerWaalsContact O-NE1 3.12Å; L694-L731 HydrophobicContact CD2-CD2 4.4Å | ||
| 695 | G | 83.9 | Confident | 88.1 | Confident | 8 Ų | 8 | 52.9 Ų | 52.9 | 8% | 0.082 | 27% | 0.265 | C | S | . | . | trans | 163.8 | -178.4 | -175.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | G672 Y693 S716 | G672-G695 VanDerWaalsContact CA-O 3.24Å; G672-G695 WeakPolarHBondContact CA-O 3.45Å; Y693-G695 WeakPolarHBondContact CE2-O 3.35Å; Y693-G695 VanDerWaalsContact OH-C 3.26Å; Y693-G695 PolarHBondContact OH-O 3.18Å; G695-S716 WeakPolarHBondContact CA-OG 3.38Å | ||
| 696 | S | 85.5 | Confident | 88 | Confident | 84 Ų | 84 | 49 Ų | 49 | 59% | 0.587 | 25% | 0.245 | S | C | * | . | S | Bend | trans | -81.9 | -14.2 | -178.8 | 54 | 0 | 0 | 0 | 0 | 114.1 | Y693 S717 | Y693-S696 WeakPolarHBondContact OH-CA 3.46Å; Y693-S696 PolarHBondContact OH-N 3.02Å; S696-S717 PolarHBondContact N-OG 3.25Å; S696-S717 PolarHBondContact OG-OG 2.78Å |
| 697 | R | 90.2 | Very high | 87.7 | Confident | 81 Ų | 81 | 53.5 Ų | 53.5 | 31% | 0.306 | 27% | 0.265 | S | S | . | . | S | Bend | trans | -90.2 | 153.2 | 179.1 | -63.3 | -178.1 | 64.2 | 174.2 | -1.1 | 112.1 | G672 S716 S717 E740 | G672-R697 VanDerWaalsContact CA-O 3.29Å; G672-R697 WeakPolarHBondContact CA-O 3.32Å; R697-S716 PolarHBondContact N-OG 3.03Å; R697-S716 PolarHBondContact O-OG 3.16Å; R697-S717 PolarHBondContact N-OG 2.96Å; R697-E740 IonicContact CZ-OE1 3.43Å; R697-E740 IonicContact CZ-OE2 2.64Å; R697-E740 IonicContact NH1-OE1 3.41Å; R697-E740 PolarHBondContact NH1-OE1 2.62Å; R697-E740 IonicContact NH2-OE1 3.17Å; R697-E740 PolarHBondContact NH2-OE1 2.84Å; R697-E740 IonicContact NH2-OE2 3.29Å; R697-E740 PolarHBondContact NH2-OE2 2.76Å |
| 698 | P | 94.4 | Very high | 87.5 | Confident | 56 Ų | 56 | 53.2 Ų | 53.2 | 36% | 0.364 | 27% | 0.272 | S | S | . | . | P | Polyproline II helix | trans | -52.7 | 139.1 | 171.4 | -27.1 | 35.6 | 0 | 0 | 0 | 112.6 | E638 Q670 | E638-P698 HydrophobicContact CB-CB 4.24Å; E638-P698 HydrophobicContact CG-CB 3.77Å; Q670-P698 WeakPolarHBondContact O-CA 3.41Å |
| 699 | V | 95.9 | Very high | 87.8 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 28% | 0.279 | C | S | . | . | P | Polyproline II helix | trans | -84.7 | 119 | -177.2 | -176.1 | 0 | 0 | 0 | 0 | 111 | S639 L669 L694 L701 A714 M715 | S639-V699 PolarHBondContact OG-O 3.33Å; L669-V699 PolarHBondContact O-N 2.91Å; L669-V699 VanDerWaalsContact O-N 3.07Å; L694-V699 HydrophobicContact CD1-CG1 3.92Å; L694-V699 HydrophobicContact CD1-CG2 4.23Å; V699-L701 HydrophobicContact CG1-CD2 4.3Å; V699-L701 HydrophobicContact CG1-CG 4.44Å; V699-A714 HydrophobicContact CG1-CB 4.1Å; V699-M715 CarbonylContact C-O 3.51Å; V699-M715 VanDerWaalsContact CA-O 3.27Å; V699-M715 WeakPolarHBondContact CA-O 3.36Å |
| 700 | K | 95.7 | Very high | 88.1 | Confident | 59 Ų | 59 | 55.6 Ų | 55.6 | 26% | 0.257 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 140.6 | 169.5 | -62.1 | 177.5 | -176.7 | 170.6 | 0 | 110.3 | S639 F702 A714 M715 E740 | S639-K700 VanDerWaalsContact OG-CA 3.3Å; S639-K700 WeakPolarHBondContact OG-CA 3.37Å; K700-F702 HydrophobicContact CB-CE2 3.7Å; K700-F702 HydrophobicContact CB-CZ 3.72Å; K700-F702 HydrophobicContact CD-CZ 4.1Å; K700-A714 CarbonylContact O-C 3.55Å; K700-A714 VanDerWaalsContact O-CA 3.29Å; K700-A714 WeakPolarHBondContact O-CA 3.35Å; K700-M715 HydrophobicContact CB-CB 4.42Å; K700-M715 PolarHBondContact N-O 2.8Å; K700-M715 PolarHBondContact O-N 2.87Å; K700-E740 WeakPolarHBondContact CD-O 3.25Å; K700-E740 PolarHBondContact NZ-O 3.4Å; K700-E740 IonicContact NZ-OE2 2.7Å |
| 701 | L | 96.5 | Very high | 88.5 | Confident | 15 Ų | 15 | 53.3 Ų | 53.3 | 8% | 0.079 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 131.1 | -176.9 | -66.4 | 167.4 | 0 | 0 | 0 | 110.8 | S639 C641 N666 L674 V699 V712 L713 A714 | S639-L701 WeakPolarHBondContact OG-CG 3.33Å; S639-L701 PolarHBondContact OG-N 3.4Å; C641-L701 HydrophobicContact CB-CB 3.78Å; C641-L701 HydrophobicContact CB-CD1 4.16Å; N666-L701 HydrophobicContact CB-CD1 3.83Å; N666-L701 HydrophobicContact CB-CD2 4.41Å; N666-L701 WeakPolarHBondContact O-CD1 3.24Å; L674-L701 HydrophobicContact CD1-CD1 4.2Å; L674-L701 HydrophobicContact CD1-CD2 3.75Å; V699-L701 HydrophobicContact CG1-CD2 4.3Å; V699-L701 HydrophobicContact CG1-CG 4.44Å; L701-V712 HydrophobicContact CB-CG1 4.48Å; L701-V712 HydrophobicContact CD2-CG1 3.66Å; L701-L713 WeakPolarHBondContact CA-O 3.4Å; L701-A714 HydrophobicContact CD2-CB 3.58Å |
| 702 | F | 95.1 | Very high | 89 | Confident | 20 Ų | 20 | 49.1 Ų | 49.1 | 9% | 0.088 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 146.3 | 180 | -54 | -68.6 | 0 | 0 | 0 | 110.6 | K700 V712 L713 M715 Y741 A742 | K700-F702 HydrophobicContact CB-CE2 3.7Å; K700-F702 HydrophobicContact CB-CZ 3.72Å; K700-F702 HydrophobicContact CD-CZ 4.1Å; F702-V712 CarbonylContact O-C 3.57Å; F702-V712 WeakPolarHBondContact O-CA 3.33Å; F702-L713 HydrophobicContact CB-CB 4.42Å; F702-L713 PolarHBondContact N-O 2.71Å; F702-L713 PolarHBondContact O-N 3.04Å; F702-M715 HydrophobicContact CD2-CE 4.18Å; F702-M715 HydrophobicContact CD2-CG 4.19Å; F702-M715 HydrophobicContact CD2-SD 4.06Å; F702-M715 HydrophobicContact CE2-CB 4.41Å; F702-M715 HydrophobicContact CE2-CE 4.21Å; F702-M715 HydrophobicContact CE2-CG 3.96Å; F702-M715 HydrophobicContact CE2-SD 3.56Å; F702-M715 VanDerWaalsContact CE2-SD 3.56Å; F702-Y741 HydrophobicContact CD1-CD1 4.37Å; F702-Y741 AromaticContact CD1-CE1 3.99Å; F702-Y741 HydrophobicContact CD1-CE1 3.99Å; F702-Y741 AromaticContact CE1-CD1 3.81Å; F702-Y741 HydrophobicContact CE1-CD1 3.81Å; F702-Y741 AromaticContact CE1-CD2 3.7Å; F702-Y741 HydrophobicContact CE1-CD2 3.7Å; F702-Y741 AromaticContact CE1-CE1 3.54Å; F702-Y741 HydrophobicContact CE1-CE1 3.54Å; F702-Y741 AromaticContact CE1-CE2 3.45Å; F702-Y741 HydrophobicContact CE1-CE2 3.45Å; F702-Y741 VanDerWaalsContact CE1-CE2 3.45Å; F702-Y741 AromaticContact CE1-CG 3.87Å; F702-Y741 HydrophobicContact CE1-CG 3.87Å; F702-Y741 AromaticContact CE1-CZ 3.35Å; F702-Y741 HydrophobicContact CZ-CD1 4.1Å; F702-Y741 AromaticContact CZ-CD2 3.63Å; F702-Y741 HydrophobicContact CZ-CD2 3.63Å; F702-Y741 HydrophobicContact CZ-CE1 4.28Å; F702-Y741 AromaticContact CZ-CE2 3.85Å; F702-Y741 HydrophobicContact CZ-CE2 3.85Å; F702-Y741 AromaticContact CZ-CG 3.75Å; F702-Y741 HydrophobicContact CZ-CG 3.75Å; F702-A742 WeakPolarHBondContact CD1-O 3.36Å; F702-A742 WeakPolarHBondContact CG-O 3.22Å |
| 703 | R | 92.3 | Very high | 89.5 | Confident | 62 Ų | 62 | 47.5 Ų | 47.5 | 23% | 0.234 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 132.3 | 170.4 | -67.4 | -172.5 | -176 | 146.5 | 14.8 | 109.2 | L592 N594 C641 I642 | L592-R703 VanDerWaalsContact O-CZ 3.3Å; L592-R703 PolarHBondContact O-NH1 2.81Å; L592-R703 PolarHBondContact O-NH2 3.28Å; N594-R703 PolarHBondContact OD1-NH1 2.91Å; C641-R703 WeakPolarHBondContact SG-CG 3.38Å; I642-R703 PolarHBondContact O-NE 2.78Å; I642-R703 PolarHBondContact O-NH2 2.67Å |
| 704 | V | 92.8 | Very high | 89.9 | Confident | 6 Ų | 6 | 41.9 Ų | 41.9 | 4% | 0.036 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 155.7 | 172.5 | -61.6 | 0 | 0 | 0 | 0 | 108.6 | A711 L713 L721 I754 | V704-A711 HydrophobicContact CG2-CB 3.91Å; V704-A711 PolarHBondContact N-O 3.3Å; V704-A711 PolarHBondContact O-N 3.4Å; V704-A711 VanDerWaalsContact O-O 3.08Å; V704-L713 HydrophobicContact CG1-CB 4.08Å; V704-L713 HydrophobicContact CG1-CD2 4.36Å; V704-L713 HydrophobicContact CG2-CB 4.26Å; V704-L721 HydrophobicContact CG2-CD1 3.58Å; V704-I754 HydrophobicContact CB-CD1 4.41Å; V704-I754 HydrophobicContact CB-CG1 4.42Å; V704-I754 HydrophobicContact CG1-CD1 4.11Å; V704-I754 HydrophobicContact CG1-CG1 4.11Å; V704-I754 HydrophobicContact CG2-CD1 4.48Å |
| 705 | R | 88 | Confident | 90.3 | Very high | 130 Ų | 130 | 41.6 Ų | 41.6 | 49% | 0.491 | 22% | 0.215 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 135.5 | 172.6 | -164.2 | 165.9 | -76.4 | -173.4 | -4.5 | 108.1 | Q709 E752 | R705-Q709 WeakPolarHBondContact CA-O 3.18Å; R705-E752 WeakPolarHBondContact CG-OE1 3.17Å |
| 706 | M | 84.4 | Confident | 90.6 | Very high | 12 Ų | 12 | 41.3 Ų | 41.3 | 6% | 0.059 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 124.2 | 177.3 | -164.3 | 58.8 | 74.7 | 0 | 0 | 111.4 | G708 Q709 A711 L721 E752 L767 L770 | M706-G708 PolarHBondContact O-N 2.86Å; M706-Q709 PolarHBondContact N-O 2.91Å; M706-Q709 PolarHBondContact O-N 3.04Å; M706-A711 HydrophobicContact CB-CB 4.06Å; M706-L721 HydrophobicContact CE-CD2 3.93Å; M706-E752 WeakPolarHBondContact CA-OE1 3.47Å; M706-E752 PolarHBondContact N-OE1 3.19Å; M706-L767 HydrophobicContact CE-CB 3.48Å; M706-L767 VanDerWaalsContact CE-CB 3.48Å; M706-L767 HydrophobicContact CE-CD1 3.41Å; M706-L767 VanDerWaalsContact CE-CD1 3.41Å; M706-L767 HydrophobicContact CE-CG 3.9Å; M706-L767 HydrophobicContact SD-CB 4.2Å; M706-L770 HydrophobicContact CG-CD1 3.8Å; M706-L770 HydrophobicContact CG-CD2 3.46Å; M706-L770 VanDerWaalsContact CG-CD2 3.46Å; M706-L770 HydrophobicContact CG-CG 4.02Å; M706-L770 HydrophobicContact SD-CD1 3.75Å; M706-L770 HydrophobicContact SD-CG 4.49Å |
| 707 | Q | 79.9 | Confident | 90.6 | Very high | 129 Ų | 129 | 38.3 Ų | 38.3 | 60% | 0.603 | 19% | 0.191 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51.6 | 37 | -177.1 | -64.8 | -71.4 | -28.6 | 0 | 0 | 112.1 | Q709 E752 L770 | Q707-Q709 PolarHBondContact O-N 3.43Å; Q707-E752 WeakPolarHBondContact CA-OE2 3.48Å; Q707-E752 PolarHBondContact N-OE1 3.32Å; Q707-E752 PolarHBondContact N-OE2 3.14Å; Q707-L770 HydrophobicContact CG-CD1 3.89Å; Q707-L770 HydrophobicContact CG-CD2 4.15Å |
| 708 | G | 80.1 | Confident | 90.4 | Very high | 60 Ų | 60 | 35.8 Ų | 35.8 | 62% | 0.619 | 18% | 0.182 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 74.5 | 1.7 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | M706 E752 | M706-G708 PolarHBondContact O-N 2.86Å; G708-E752 PolarHBondContact N-OE1 3.03Å |
| 709 | Q | 84.1 | Confident | 90.2 | Very high | 94 Ų | 94 | 33.2 Ų | 33.2 | 44% | 0.439 | 17% | 0.165 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 159.2 | 174.2 | -62.3 | -169.9 | -1.1 | 0 | 0 | 111.6 | R705 M706 Q707 | R705-Q709 WeakPolarHBondContact CA-O 3.18Å; M706-Q709 PolarHBondContact N-O 2.91Å; M706-Q709 PolarHBondContact O-N 3.04Å; Q707-Q709 PolarHBondContact O-N 3.43Å |
| 710 | E | 88.3 | Confident | 90 | Very high | 51 Ų | 51 | 34.1 Ų | 34.1 | 24% | 0.238 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 133.4 | 173.1 | -65.2 | -166.1 | 173.5 | 0 | 0 | 111.4 | N594 V643 M645 | N594-E710 PolarHBondContact ND2-OE1 2.85Å; V643-E710 HydrophobicContact CG2-CB 3.68Å; M645-E710 WeakPolarHBondContact CE-O 3.49Å |
| 711 | A | 91.4 | Very high | 89.8 | Confident | 1 Ų | 1 | 31.3 Ų | 31.3 | 1% | 0.008 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 158.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111 | V704 M706 L721 S722 | V704-A711 HydrophobicContact CG2-CB 3.91Å; V704-A711 PolarHBondContact N-O 3.3Å; V704-A711 PolarHBondContact O-N 3.4Å; V704-A711 VanDerWaalsContact O-O 3.08Å; M706-A711 HydrophobicContact CB-CB 4.06Å; A711-L721 HydrophobicContact CB-CD1 4.02Å; A711-S722 WeakPolarHBondContact CA-O 3.28Å; A711-S722 WeakPolarHBondContact CB-O 3.32Å |
| 712 | V | 94.2 | Very high | 89.5 | Confident | 1 Ų | 1 | 30.7 Ų | 30.7 | 1% | 0.006 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 120.6 | 179.4 | 178 | 0 | 0 | 0 | 0 | 108.8 | C641 V643 M645 L701 F702 S722 | C641-V712 HydrophobicContact CB-CG1 4.44Å; V643-V712 HydrophobicContact CB-CG2 3.91Å; V643-V712 HydrophobicContact CG1-CG2 3.6Å; V643-V712 HydrophobicContact CG2-CG2 4.21Å; M645-V712 HydrophobicContact CE-CB 4.16Å; M645-V712 HydrophobicContact CE-CG2 3.62Å; L701-V712 HydrophobicContact CB-CG1 4.48Å; L701-V712 HydrophobicContact CD2-CG1 3.66Å; F702-V712 CarbonylContact O-C 3.57Å; F702-V712 WeakPolarHBondContact O-CA 3.33Å; V712-S722 PolarHBondContact N-O 2.74Å; V712-S722 PolarHBondContact O-N 2.8Å |
| 713 | L | 95.4 | Very high | 89.1 | Confident | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 112.8 | 171.7 | -175.1 | 70.1 | 0 | 0 | 0 | 109.4 | L701 F702 V704 M715 W720 L721 L734 A742 I754 | L701-L713 WeakPolarHBondContact CA-O 3.4Å; F702-L713 HydrophobicContact CB-CB 4.42Å; F702-L713 PolarHBondContact N-O 2.71Å; F702-L713 PolarHBondContact O-N 3.04Å; V704-L713 HydrophobicContact CG1-CB 4.08Å; V704-L713 HydrophobicContact CG1-CD2 4.36Å; V704-L713 HydrophobicContact CG2-CB 4.26Å; L713-M715 HydrophobicContact CD2-CE 3.54Å; L713-M715 HydrophobicContact CG-CE 4.27Å; L713-W720 CarbonylContact C-O 3.52Å; L713-W720 WeakPolarHBondContact CA-O 3.35Å; L713-L721 HydrophobicContact CB-CD1 4.36Å; L713-L721 HydrophobicContact CD1-CB 4.43Å; L713-L721 HydrophobicContact CD1-CD1 4.22Å; L713-L734 HydrophobicContact CD1-CD1 4Å; L713-L734 HydrophobicContact CD1-CG 4.46Å; L713-A742 HydrophobicContact CD2-CB 3.74Å; L713-I754 HydrophobicContact CD2-CD1 4.38Å; L713-I754 HydrophobicContact CD2-CG2 4.29Å |
| 714 | A | 94.8 | Very high | 88.5 | Confident | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 118.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | L674 L694 V699 K700 L701 S719 W720 | L674-A714 HydrophobicContact CD2-CB 4.16Å; L694-A714 HydrophobicContact CD1-CB 3.6Å; V699-A714 HydrophobicContact CG1-CB 4.1Å; K700-A714 CarbonylContact O-C 3.55Å; K700-A714 VanDerWaalsContact O-CA 3.29Å; K700-A714 WeakPolarHBondContact O-CA 3.35Å; L701-A714 HydrophobicContact CD2-CB 3.58Å; A714-S719 CarbonylContact O-C 3.58Å; A714-W720 HydrophobicContact CB-CB 4.36Å; A714-W720 PolarHBondContact N-O 3.03Å; A714-W720 PolarHBondContact O-N 3.49Å |
| 715 | M | 93.3 | Very high | 87.6 | Confident | 4 Ų | 4 | 31.1 Ų | 31.1 | 2% | 0.02 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 131.2 | 179 | -63.7 | -173 | 174.8 | 0 | 0 | 111.5 | V699 K700 F702 L713 L739 A742 | V699-M715 CarbonylContact C-O 3.51Å; V699-M715 VanDerWaalsContact CA-O 3.27Å; V699-M715 WeakPolarHBondContact CA-O 3.36Å; K700-M715 HydrophobicContact CB-CB 4.42Å; K700-M715 PolarHBondContact N-O 2.8Å; K700-M715 PolarHBondContact O-N 2.87Å; F702-M715 HydrophobicContact CD2-CE 4.18Å; F702-M715 HydrophobicContact CD2-CG 4.19Å; F702-M715 HydrophobicContact CD2-SD 4.06Å; F702-M715 HydrophobicContact CE2-CB 4.41Å; F702-M715 HydrophobicContact CE2-CE 4.21Å; F702-M715 HydrophobicContact CE2-CG 3.96Å; F702-M715 HydrophobicContact CE2-SD 3.56Å; F702-M715 VanDerWaalsContact CE2-SD 3.56Å; L713-M715 HydrophobicContact CD2-CE 3.54Å; L713-M715 HydrophobicContact CG-CE 4.27Å; M715-L739 HydrophobicContact CE-CB 3.53Å; M715-L739 HydrophobicContact CE-CD1 3.91Å; M715-L739 HydrophobicContact CE-CG 4.38Å; M715-L739 HydrophobicContact SD-CB 3.72Å; M715-A742 HydrophobicContact CE-CB 3.27Å |
| 716 | S | 90.8 | Very high | 86.6 | Confident | 3 Ų | 3 | 29.9 Ų | 29.9 | 2% | 0.021 | 16% | 0.156 | C | C | . | . | S | Bend | trans | -142.2 | -128.6 | 172.1 | 177.6 | 0 | 0 | 0 | 0 | 108.2 | G695 R697 R718 | G695-S716 WeakPolarHBondContact CA-OG 3.38Å; R697-S716 PolarHBondContact N-OG 3.03Å; R697-S716 PolarHBondContact O-OG 3.16Å; S716-R718 PolarHBondContact N-O 3.07Å; S716-R718 PolarHBondContact O-N 3.39Å |
| 717 | S | 85.5 | Confident | 85.7 | Confident | 21 Ų | 21 | 34.5 Ų | 34.5 | 15% | 0.147 | 19% | 0.19 | C | C | . | . | S | Bend | trans | -66.8 | -23.5 | 169.6 | -53.5 | 0 | 0 | 0 | 0 | 112.2 | S696 R697 T738 | S696-S717 PolarHBondContact N-OG 3.25Å; S696-S717 PolarHBondContact OG-OG 2.78Å; R697-S717 PolarHBondContact N-OG 2.96Å; S717-T738 WeakPolarHBondContact O-CG2 3.39Å |
| 718 | R | 85.1 | Confident | 85.2 | Confident | 28 Ų | 28 | 32.2 Ų | 32.2 | 11% | 0.106 | 18% | 0.176 | C | C | . | . | S | Bend | trans | -131.7 | 160.9 | 165.5 | -71 | -176 | 62.6 | -173.8 | -5.8 | 108.7 | T420 H440 S716 W720 L734 | T420-R718 PolarHBondContact OG1-NH1 3.26Å; H440-R718 PolarHBondContact O-NH1 2.84Å; H440-R718 PolarHBondContact O-NH2 3.4Å; S716-R718 PolarHBondContact N-O 3.07Å; S716-R718 PolarHBondContact O-N 3.39Å; R718-W720 VanDerWaalsContact O-CD1 3.27Å; R718-L734 PolarHBondContact NH2-O 2.72Å |
| 719 | S | 90.6 | Very high | 85 | Confident | 2 Ų | 2 | 31.1 Ų | 31.1 | 1% | 0.014 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 137 | 171.3 | -58.3 | 0 | 0 | 0 | 0 | 109.3 | A714 P733 L734 | A714-S719 CarbonylContact O-C 3.58Å; S719-P733 CarbonylContact O-C 3.57Å; S719-P733 VanDerWaalsContact O-CA 3.25Å; S719-P733 WeakPolarHBondContact O-CA 3.46Å; S719-L734 PolarHBondContact O-N 3.19Å |
| 720 | W | 91.1 | Very high | 84.8 | Confident | 18 Ų | 18 | 28.9 Ų | 28.9 | 7% | 0.068 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 129.3 | -177.3 | -65.9 | 79.6 | 0 | 0 | 0 | 110.2 | R692 L694 L713 A714 R718 L731 T732 P733 | R692-W720 VanDerWaalsContact NH2-CZ3 3.3Å; L694-W720 HydrophobicContact CD1-CB 4.47Å; L694-W720 HydrophobicContact CD1-CG 4.33Å; L694-W720 HydrophobicContact CD2-CB 4.48Å; L694-W720 HydrophobicContact CD2-CD2 3.8Å; L694-W720 HydrophobicContact CD2-CE3 4.27Å; L694-W720 HydrophobicContact CD2-CG 3.9Å; L694-W720 PolarHBondContact O-NE1 3.22Å; L694-W720 VanDerWaalsContact O-NE1 3.12Å; L713-W720 CarbonylContact C-O 3.52Å; L713-W720 WeakPolarHBondContact CA-O 3.35Å; A714-W720 HydrophobicContact CB-CB 4.36Å; A714-W720 PolarHBondContact N-O 3.03Å; A714-W720 PolarHBondContact O-N 3.49Å; R718-W720 VanDerWaalsContact O-CD1 3.27Å; W720-L731 HydrophobicContact CB-CD1 3.87Å; W720-L731 HydrophobicContact CE3-CD1 4.34Å; W720-L731 HydrophobicContact CE3-CG 4.21Å; W720-T732 CarbonylContact C-O 3.54Å; W720-T732 WeakPolarHBondContact CA-O 3.34Å; W720-P733 HydrophobicContact CD2-CB 3.78Å; W720-P733 HydrophobicContact CE3-CB 3.86Å; W720-P733 HydrophobicContact CE3-CG 4.22Å; W720-P733 HydrophobicContact CG-CB 4.35Å; W720-P733 HydrophobicContact CH2-CB 4.19Å; W720-P733 HydrophobicContact CH2-CG 4.14Å; W720-P733 HydrophobicContact CZ2-CB 4.14Å; W720-P733 HydrophobicContact CZ3-CB 4.06Å; W720-P733 HydrophobicContact CZ3-CG 3.98Å |
| 721 | L | 92.1 | Very high | 84.7 | Confident | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 121.2 | 175.7 | -171 | 69.8 | 0 | 0 | 0 | 109.9 | L442 V704 M706 A711 L713 Y723 L731 T732 L734 L767 | L442-L721 HydrophobicContact CD1-CB 3.9Å; L442-L721 HydrophobicContact CD1-CD2 3.61Å; L442-L721 HydrophobicContact CD1-CG 4.38Å; V704-L721 HydrophobicContact CG2-CD1 3.58Å; M706-L721 HydrophobicContact CE-CD2 3.93Å; A711-L721 HydrophobicContact CB-CD1 4.02Å; L713-L721 HydrophobicContact CB-CD1 4.36Å; L713-L721 HydrophobicContact CD1-CB 4.43Å; L713-L721 HydrophobicContact CD1-CD1 4.22Å; L721-Y723 HydrophobicContact CB-CD1 4.29Å; L721-Y723 HydrophobicContact CD2-CD1 3.76Å; L721-Y723 HydrophobicContact CD2-CE1 4.18Å; L721-Y723 HydrophobicContact CD2-CG 4.41Å; L721-Y723 HydrophobicContact CG-CD1 3.78Å; L721-Y723 HydrophobicContact CG-CE1 4.43Å; L721-L731 WeakPolarHBondContact O-CA 2.88Å; L721-T732 PolarHBondContact N-O 3.07Å; L721-T732 PolarHBondContact O-N 3.14Å; L721-L734 HydrophobicContact CB-CD2 4.37Å; L721-L767 HydrophobicContact CD2-CD1 3.94Å |
| 722 | S | 90.6 | Very high | 84.5 | Confident | 2 Ų | 2 | 27.7 Ų | 27.7 | 1% | 0.014 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 120.9 | 166.9 | -157.1 | 0 | 0 | 0 | 0 | 110.2 | M645 A711 V712 H730 | M645-S722 VanDerWaalsContact CE-O 3.26Å; M645-S722 WeakPolarHBondContact CE-O 3.4Å; A711-S722 WeakPolarHBondContact CA-O 3.28Å; A711-S722 WeakPolarHBondContact CB-O 3.32Å; V712-S722 PolarHBondContact N-O 2.74Å; V712-S722 PolarHBondContact O-N 2.8Å; S722-H730 VanDerWaalsContact CA-O 3.25Å; S722-H730 WeakPolarHBondContact CA-O 3.43Å; S722-H730 PolarHBondContact OG-O 3.45Å |
| 723 | Y | 87.5 | Confident | 84.3 | Confident | 8 Ų | 8 | 27.7 Ų | 27.7 | 3% | 0.031 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 159.3 | -178.5 | 60.3 | -77.7 | 0 | 0 | 0 | 110.5 | L442 L721 Y725 H730 T732 L770 | L442-Y723 HydrophobicContact CD1-CE1 4.09Å; L721-Y723 HydrophobicContact CB-CD1 4.29Å; L721-Y723 HydrophobicContact CD2-CD1 3.76Å; L721-Y723 HydrophobicContact CD2-CE1 4.18Å; L721-Y723 HydrophobicContact CD2-CG 4.41Å; L721-Y723 HydrophobicContact CG-CD1 3.78Å; L721-Y723 HydrophobicContact CG-CE1 4.43Å; Y723-Y725 HydrophobicContact CE2-CG 4.35Å; Y723-H730 HydrophobicContact CD1-CB 4.17Å; Y723-H730 HydrophobicContact CD2-CB 4.34Å; Y723-H730 HydrophobicContact CE1-CB 3.7Å; Y723-H730 HydrophobicContact CE2-CB 3.9Å; Y723-H730 HydrophobicContact CG-CB 4.48Å; Y723-H730 PolarHBondContact N-O 2.81Å; Y723-H730 PolarHBondContact O-N 2.87Å; Y723-T732 WeakPolarHBondContact CE1-OG1 3.42Å; Y723-L770 HydrophobicContact CD2-CD2 3.59Å; Y723-L770 HydrophobicContact CE2-CB 4.13Å; Y723-L770 HydrophobicContact CE2-CD2 3.62Å; Y723-L770 HydrophobicContact CE2-CG 4.21Å; Y723-L770 HydrophobicContact CG-CD2 4.28Å; Y723-L770 PolarHBondContact OH-O 2.91Å |
| 724 | S | 79 | Confident | 83.9 | Confident | 15 Ų | 15 | 27.8 Ų | 27.8 | 11% | 0.105 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 125.5 | 169.6 | 177.5 | 0 | 0 | 0 | 0 | 108.5 | ||
| 725 | Y | 73.4 | Confident | 83.5 | Confident | 75 Ų | 75 | 28.7 Ų | 28.7 | 29% | 0.294 | 15% | 0.145 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 126.1 | 175.5 | -177.7 | -103.6 | 0 | 0 | 0 | 109.1 | Y723 S727 R728 | Y723-Y725 HydrophobicContact CE2-CG 4.35Å; Y725-S727 PolarHBondContact O-N 2.86Å; Y725-R728 PolarHBondContact N-O 3.12Å; Y725-R728 PolarHBondContact O-N 3.39Å; Y725-R728 VanDerWaalsContact O-O 3.12Å |
| 726 | Q | 67.1 | Low | 83 | Confident | 103 Ų | 103 | 30.2 Ų | 30.2 | 48% | 0.481 | 15% | 0.151 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50.4 | 44.2 | -175.7 | -60.5 | -179.3 | -9.2 | 0 | 0 | 112.8 | L53 R728 | L53-Q726 PolarHBondContact O-NE2 2.75Å; Q726-R728 PolarHBondContact O-N 3.06Å; Q726-R728 VanDerWaalsContact O-N 3.14Å |
| 727 | S | 65 | Low | 82.5 | Confident | 110 Ų | 110 | 34.3 Ų | 34.3 | 77% | 0.769 | 17% | 0.17 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 62.6 | 15.2 | -178.2 | -46.3 | 0 | 0 | 0 | 0 | 115 | Y725 | Y725-S727 PolarHBondContact O-N 2.86Š|
| 728 | R | 69.6 | Low | 82.5 | Confident | 81 Ų | 81 | 35.9 Ų | 35.9 | 31% | 0.306 | 18% | 0.178 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 133.7 | 173.4 | -175 | 178.9 | -173.5 | 168.2 | 4.8 | 110.2 | Y725 Q726 H730 E1180 | Y725-R728 PolarHBondContact N-O 3.12Å; Y725-R728 PolarHBondContact O-N 3.39Å; Y725-R728 VanDerWaalsContact O-O 3.12Å; Q726-R728 PolarHBondContact O-N 3.06Å; Q726-R728 VanDerWaalsContact O-N 3.14Å; R728-H730 PolarHBondContact O-ND1 2.8Å; R728-E1180 IonicContact CZ-OE2 3.23Å; R728-E1180 IonicContact NH1-OE2 3.5Å; R728-E1180 PolarHBondContact NH1-OE2 2.61Å; R728-E1180 IonicContact NH2-OE2 3.35Å; R728-E1180 PolarHBondContact NH2-OE2 3.13Å |
| 729 | F | 75.9 | Confident | 82.7 | Confident | 37 Ų | 37 | 34.7 Ų | 34.7 | 16% | 0.162 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 129.1 | 171.6 | -72.6 | -81.9 | 0 | 0 | 0 | 110.4 | M645 Y664 | M645-F729 HydrophobicContact CB-CE1 3.77Å; M645-F729 HydrophobicContact CB-CZ 4.24Å; M645-F729 HydrophobicContact SD-CE1 4.02Å; Y664-F729 HydrophobicContact CD2-CE1 4.38Å; Y664-F729 HydrophobicContact CD2-CZ 4.3Å; Y664-F729 HydrophobicContact CE1-CZ 4.23Å; Y664-F729 AromaticContact CE2-CE1 3.86Å; Y664-F729 HydrophobicContact CE2-CE1 3.86Å; Y664-F729 HydrophobicContact CE2-CE2 4.35Å; Y664-F729 AromaticContact CE2-CZ 3.37Å; Y664-F729 HydrophobicContact CE2-CZ 3.37Å; Y664-F729 AromaticContact CZ-CE2 3.9Å; Y664-F729 AromaticContact CZ-CZ 3.33Å; Y664-F729 WeakPolarHBondContact OH-CE2 3.34Å; Y664-F729 WeakPolarHBondContact OH-CZ 3.35Å |
| 730 | H | 80.9 | Confident | 82.7 | Confident | 46 Ų | 46 | 36.5 Ų | 36.5 | 21% | 0.213 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 144.6 | 171.4 | -65.4 | 79 | 0 | 0 | 0 | 108.5 | S722 Y723 R728 T732 | S722-H730 VanDerWaalsContact CA-O 3.25Å; S722-H730 WeakPolarHBondContact CA-O 3.43Å; S722-H730 PolarHBondContact OG-O 3.45Å; Y723-H730 HydrophobicContact CD1-CB 4.17Å; Y723-H730 HydrophobicContact CD2-CB 4.34Å; Y723-H730 HydrophobicContact CE1-CB 3.7Å; Y723-H730 HydrophobicContact CE2-CB 3.9Å; Y723-H730 HydrophobicContact CG-CB 4.48Å; Y723-H730 PolarHBondContact N-O 2.81Å; Y723-H730 PolarHBondContact O-N 2.87Å; R728-H730 PolarHBondContact O-ND1 2.8Å; H730-T732 HydrophobicContact CB-CG2 4.43Å |
| 731 | L | 86 | Confident | 82.9 | Confident | 22 Ų | 22 | 37.8 Ų | 37.8 | 12% | 0.115 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 90.1 | 171.6 | 174.7 | 54.5 | 0 | 0 | 0 | 106.7 | L674 R692 L694 W720 L721 | L674-L731 HydrophobicContact CD2-CD1 4.48Å; L674-L731 HydrophobicContact CD2-CD2 3.97Å; R692-L731 VanDerWaalsContact CD-CD2 3.41Å; R692-L731 PolarHBondContact NH1-O 2.8Å; L694-L731 HydrophobicContact CD2-CD2 4.4Å; W720-L731 HydrophobicContact CB-CD1 3.87Å; W720-L731 HydrophobicContact CE3-CD1 4.34Å; W720-L731 HydrophobicContact CE3-CG 4.21Å; L721-L731 WeakPolarHBondContact O-CA 2.88Å |
| 732 | T | 87.3 | Confident | 83 | Confident | 6 Ų | 6 | 37.8 Ų | 37.8 | 4% | 0.037 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 139.3 | -171.9 | 54.3 | 0 | 0 | 0 | 0 | 109.7 | L442 W720 L721 Y723 H730 | L442-T732 VanDerWaalsContact CD1-OG1 3.23Å; L442-T732 WeakPolarHBondContact CD1-OG1 3.42Å; L442-T732 WeakPolarHBondContact CG-OG1 3.32Å; W720-T732 CarbonylContact C-O 3.54Å; W720-T732 WeakPolarHBondContact CA-O 3.34Å; L721-T732 PolarHBondContact N-O 3.07Å; L721-T732 PolarHBondContact O-N 3.14Å; Y723-T732 WeakPolarHBondContact CE1-OG1 3.42Å; H730-T732 HydrophobicContact CB-CG2 4.43Å |
| 733 | P | 88.9 | Confident | 83.2 | Confident | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 159.1 | 174.2 | 32.7 | -31.8 | 0 | 0 | 0 | 109.6 | H440 G441 L442 S719 W720 | H440-P733 WeakPolarHBondContact CE1-CD 3.15Å; H440-P733 WeakPolarHBondContact ND1-CD 3.46Å; H440-P733 VanDerWaalsContact ND1-CG 3.32Å; H440-P733 WeakPolarHBondContact ND1-CG 3.41Å; H440-P733 WeakPolarHBondContact O-CG 3.17Å; G441-P733 CarbonylContact C-O 3.54Å; G441-P733 WeakPolarHBondContact CA-O 3.36Å; L442-P733 PolarHBondContact N-O 2.88Å; S719-P733 CarbonylContact O-C 3.57Å; S719-P733 VanDerWaalsContact O-CA 3.25Å; S719-P733 WeakPolarHBondContact O-CA 3.46Å; W720-P733 HydrophobicContact CD2-CB 3.78Å; W720-P733 HydrophobicContact CE3-CB 3.86Å; W720-P733 HydrophobicContact CE3-CG 4.22Å; W720-P733 HydrophobicContact CG-CB 4.35Å; W720-P733 HydrophobicContact CH2-CB 4.19Å; W720-P733 HydrophobicContact CH2-CG 4.14Å; W720-P733 HydrophobicContact CZ2-CB 4.14Å; W720-P733 HydrophobicContact CZ3-CB 4.06Å; W720-P733 HydrophobicContact CZ3-CG 3.98Å |
| 734 | L | 88.5 | Confident | 83.5 | Confident | 3 Ų | 3 | 39 Ų | 39 | 2% | 0.016 | 20% | 0.2 | C | C | . | . | B | Isolated β-bridge | trans | -83.9 | 139 | 165.7 | -57.4 | -171.9 | 0 | 0 | 0 | 108.2 | L442 V444 L713 R718 S719 L721 Y736 L767 | L442-L734 HydrophobicContact CB-CD2 3.88Å; L442-L734 HydrophobicContact CD1-CD2 3.95Å; L442-L734 HydrophobicContact CG-CD2 4.5Å; V444-L734 HydrophobicContact CG2-CB 3.95Å; V444-L734 HydrophobicContact CG2-CD1 4.44Å; V444-L734 HydrophobicContact CG2-CD2 4.43Å; V444-L734 HydrophobicContact CG2-CG 4.5Å; L713-L734 HydrophobicContact CD1-CD1 4Å; L713-L734 HydrophobicContact CD1-CG 4.46Å; R718-L734 PolarHBondContact NH2-O 2.72Å; S719-L734 PolarHBondContact O-N 3.19Å; L721-L734 HydrophobicContact CB-CD2 4.37Å; L734-Y736 PolarHBondContact O-N 3.26Å; L734-L767 HydrophobicContact CD2-CD1 3.9Å; L734-L767 HydrophobicContact CD2-CD2 3.96Å |
| 735 | S | 85 | Confident | 84.2 | Confident | 18 Ų | 18 | 38.8 Ų | 38.8 | 13% | 0.126 | 20% | 0.197 | C | C | . | . | S | Bend | trans | -79.8 | 59 | 173.6 | 57.8 | 0 | 0 | 0 | 0 | 110.6 | L442 N775 | L442-S735 WeakPolarHBondContact O-CB 3.35Å; L442-S735 PolarHBondContact O-N 3.32Å; L442-S735 PolarHBondContact O-OG 3.33Å; S735-N775 WeakPolarHBondContact OG-CB 3.42Å; S735-N775 PolarHBondContact OG-ND2 2.75Å |
| 736 | Y | 82.4 | Confident | 85.1 | Confident | 37 Ų | 37 | 35.7 Ų | 35.7 | 15% | 0.145 | 19% | 0.187 | C | C | . | . | S | Bend | trans | -144.1 | 164.6 | -169.8 | -152.6 | -104.6 | 0 | 0 | 0 | 111.8 | V444 E446 L734 L739 R763 L765 | V444-Y736 HydrophobicContact CB-CD2 3.95Å; V444-Y736 HydrophobicContact CB-CG 4.47Å; V444-Y736 HydrophobicContact CG1-CD2 4.05Å; V444-Y736 HydrophobicContact CG1-CE2 4.4Å; V444-Y736 HydrophobicContact CG1-CG 4.45Å; V444-Y736 HydrophobicContact CG2-CD2 4.33Å; V444-Y736 HydrophobicContact CG2-CG 4.42Å; E446-Y736 HydrophobicContact CG-CE2 3.95Å; E446-Y736 WeakPolarHBondContact OE1-CE2 3.42Å; E446-Y736 PolarHBondContact OE1-OH 3.31Å; L734-Y736 PolarHBondContact O-N 3.26Å; Y736-L739 HydrophobicContact CD1-CD2 3.89Å; Y736-L739 HydrophobicContact CD1-CG 4.36Å; Y736-L739 HydrophobicContact CE1-CD2 3.92Å; Y736-R763 VanDerWaalsContact OH-CD 3.27Å; Y736-R763 WeakPolarHBondContact OH-CD 3.33Å; Y736-R763 VanDerWaalsContact OH-CZ 3.29Å; Y736-R763 PolarHBondContact OH-NE 2.86Å; Y736-R763 PolarHBondContact OH-NH1 2.64Å; Y736-L765 HydrophobicContact CE1-CD1 4.43Å; Y736-L765 HydrophobicContact CE1-CD2 4.4Å; Y736-L765 HydrophobicContact CE2-CD2 4.43Å |
| 737 | E | 81.8 | Confident | 86.3 | Confident | 88 Ų | 88 | 31.2 Ų | 31.2 | 41% | 0.411 | 17% | 0.167 | S | C | . | . | P | Polyproline II helix | trans | -64.3 | 170 | 172.8 | 64 | 169.9 | -154.7 | 0 | 0 | 112.5 | L739 S758 R763 | E737-L739 PolarHBondContact O-N 3.2Å; E737-S758 WeakPolarHBondContact OE1-CB 3.44Å; E737-S758 PolarHBondContact OE1-OG 2.86Å; E737-R763 IonicContact OE1-CZ 2.72Å; E737-R763 VanDerWaalsContact OE1-CZ 3.23Å; E737-R763 IonicContact OE1-NE 3.77Å; E737-R763 PolarHBondContact OE1-NE 3.19Å; E737-R763 IonicContact OE1-NH2 3.17Å; E737-R763 PolarHBondContact OE1-NH2 3.17Å; E737-R763 IonicContact OE2-NH2 2.74Å |
| 738 | T | 84.1 | Confident | 87.3 | Confident | 54 Ų | 54 | 33.9 Ų | 33.9 | 33% | 0.331 | 17% | 0.168 | S | C | . | . | P | Polyproline II helix | trans | -67.7 | 127 | -177.4 | 67.1 | 0 | 0 | 0 | 0 | 111.1 | S717 S758 | S717-T738 WeakPolarHBondContact O-CG2 3.39Å; T738-S758 PolarHBondContact O-OG 2.94Å |
| 739 | L | 90.4 | Very high | 87.9 | Confident | 4 Ų | 4 | 36.8 Ų | 36.8 | 2% | 0.021 | 19% | 0.185 | C | C | . | . | P | Polyproline II helix | trans | -102.1 | 146.7 | 175.8 | -56.4 | 175.5 | 0 | 0 | 0 | 110 | M715 Y736 E737 A756 L765 | M715-L739 HydrophobicContact CE-CB 3.53Å; M715-L739 HydrophobicContact CE-CD1 3.91Å; M715-L739 HydrophobicContact CE-CG 4.38Å; M715-L739 HydrophobicContact SD-CB 3.72Å; Y736-L739 HydrophobicContact CD1-CD2 3.89Å; Y736-L739 HydrophobicContact CD1-CG 4.36Å; Y736-L739 HydrophobicContact CE1-CD2 3.92Å; E737-L739 PolarHBondContact O-N 3.2Å; L739-A756 HydrophobicContact CD1-CB 3.77Å; L739-A756 HydrophobicContact CD2-CB 3.97Å; L739-A756 HydrophobicContact CG-CB 4.3Å; L739-L765 HydrophobicContact CD1-CD1 3.98Å |
| 740 | E | 90.3 | Very high | 88.4 | Confident | 40 Ų | 40 | 35.3 Ų | 35.3 | 19% | 0.187 | 18% | 0.179 | C | C | . | . | S | Bend | trans | -94.8 | -35.2 | -177.9 | -70.6 | -60.2 | 151.7 | 0 | 0 | 113.3 | R697 K700 I757 | R697-E740 IonicContact CZ-OE1 3.43Å; R697-E740 IonicContact CZ-OE2 2.64Å; R697-E740 IonicContact NH1-OE1 3.41Å; R697-E740 PolarHBondContact NH1-OE1 2.62Å; R697-E740 IonicContact NH2-OE1 3.17Å; R697-E740 PolarHBondContact NH2-OE1 2.84Å; R697-E740 IonicContact NH2-OE2 3.29Å; R697-E740 PolarHBondContact NH2-OE2 2.76Å; K700-E740 WeakPolarHBondContact CD-O 3.25Å; K700-E740 PolarHBondContact NZ-O 3.4Å; K700-E740 IonicContact NZ-OE2 2.7Å; E740-I757 HydrophobicContact CB-CG1 4.35Å; E740-I757 PolarHBondContact N-O 2.82Å |
| 741 | Y | 94.6 | Very high | 88.6 | Confident | 45 Ų | 45 | 37.7 Ų | 37.7 | 18% | 0.176 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.8 | 152.4 | 179.6 | -153.4 | -80.8 | 0 | 0 | 0 | 109.5 | A458 V459 W460 F702 A756 I757 | A458-Y741 HydrophobicContact CB-CD1 4.34Å; A458-Y741 HydrophobicContact CB-CD2 3.81Å; A458-Y741 HydrophobicContact CB-CE1 4.26Å; A458-Y741 HydrophobicContact CB-CE2 3.7Å; A458-Y741 HydrophobicContact CB-CG 4.14Å; V459-Y741 HydrophobicContact CG1-CD1 3.96Å; V459-Y741 WeakPolarHBondContact O-CD1 3.33Å; V459-Y741 WeakPolarHBondContact O-CE1 3.46Å; W460-Y741 PolarHBondContact NE1-OH 2.78Å; F702-Y741 HydrophobicContact CD1-CD1 4.37Å; F702-Y741 AromaticContact CD1-CE1 3.99Å; F702-Y741 HydrophobicContact CD1-CE1 3.99Å; F702-Y741 AromaticContact CE1-CD1 3.81Å; F702-Y741 HydrophobicContact CE1-CD1 3.81Å; F702-Y741 AromaticContact CE1-CD2 3.7Å; F702-Y741 HydrophobicContact CE1-CD2 3.7Å; F702-Y741 AromaticContact CE1-CE1 3.54Å; F702-Y741 HydrophobicContact CE1-CE1 3.54Å; F702-Y741 AromaticContact CE1-CE2 3.45Å; F702-Y741 HydrophobicContact CE1-CE2 3.45Å; F702-Y741 VanDerWaalsContact CE1-CE2 3.45Å; F702-Y741 AromaticContact CE1-CG 3.87Å; F702-Y741 HydrophobicContact CE1-CG 3.87Å; F702-Y741 AromaticContact CE1-CZ 3.35Å; F702-Y741 HydrophobicContact CZ-CD1 4.1Å; F702-Y741 AromaticContact CZ-CD2 3.63Å; F702-Y741 HydrophobicContact CZ-CD2 3.63Å; F702-Y741 HydrophobicContact CZ-CE1 4.28Å; F702-Y741 AromaticContact CZ-CE2 3.85Å; F702-Y741 HydrophobicContact CZ-CE2 3.85Å; F702-Y741 AromaticContact CZ-CG 3.75Å; F702-Y741 HydrophobicContact CZ-CG 3.75Å; Y741-A756 VanDerWaalsContact O-CA 3.3Å; Y741-A756 WeakPolarHBondContact O-CA 3.43Å; Y741-I757 PolarHBondContact O-N 2.92Å |
| 742 | A | 95.3 | Very high | 88.7 | Confident | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.3 | 161.1 | 169.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | F702 L713 M715 I754 V755 A756 | F702-A742 WeakPolarHBondContact CD1-O 3.36Å; F702-A742 WeakPolarHBondContact CG-O 3.22Å; L713-A742 HydrophobicContact CD2-CB 3.74Å; M715-A742 HydrophobicContact CE-CB 3.27Å; A742-I754 HydrophobicContact CB-CG2 3.63Å; A742-V755 CarbonylContact C-O 3.46Å; A742-V755 WeakPolarHBondContact CA-O 3.18Å; A742-V755 WeakPolarHBondContact CB-O 3.37Å; A742-A756 HydrophobicContact CB-CB 4.03Å |
| 743 | S | 94.8 | Very high | 88.9 | Confident | 16 Ų | 16 | 39.3 Ų | 39.3 | 11% | 0.112 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 152.7 | 170.3 | -73.7 | 0 | 0 | 0 | 0 | 110 | V459 I754 V755 | V459-S743 PolarHBondContact O-OG 3.49Å; S743-I754 WeakPolarHBondContact O-CA 3.37Å; S743-V755 PolarHBondContact N-O 3.48Å; S743-V755 PolarHBondContact O-N 2.78Å |
| 744 | G | 93.9 | Very high | 89.2 | Confident | 19 Ų | 19 | 39.5 Ų | 39.5 | 20% | 0.196 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.5 | 150.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | T461 | T461-G744 WeakPolarHBondContact CB-O 3.38Å; T461-G744 WeakPolarHBondContact CG2-O 3.41Å; T461-G744 PolarHBondContact OG1-O 3.09Å |
| 745 | F | 93.3 | Very high | 89.5 | Confident | 11 Ų | 11 | 39.3 Ų | 39.3 | 5% | 0.048 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 137.1 | -175.9 | 175.1 | -107.2 | 0 | 0 | 0 | 110.4 | T461 D471 I474 I487 S747 C750 G753 V755 I764 | T461-F745 HydrophobicContact CG2-CB 4.38Å; T461-F745 HydrophobicContact CG2-CD2 3.98Å; D471-F745 WeakPolarHBondContact OD2-CA 3.43Å; I474-F745 HydrophobicContact CD1-CD2 4.44Å; I474-F745 HydrophobicContact CD1-CE2 3.93Å; I474-F745 HydrophobicContact CG1-CE2 4.41Å; I487-F745 HydrophobicContact CD1-CD2 4.28Å; I487-F745 HydrophobicContact CD1-CE2 3.63Å; I487-F745 HydrophobicContact CG1-CE2 4.18Å; I487-F745 HydrophobicContact CG2-CE2 4.47Å; I487-F745 HydrophobicContact CG2-CZ 4.48Å; F745-S747 WeakPolarHBondContact CE1-OG 3.37Å; F745-C750 HydrophobicContact CD1-CB 4.27Å; F745-C750 HydrophobicContact CE1-CB 4.01Å; F745-G753 PolarHBondContact N-O 2.92Å; F745-G753 CarbonylContact O-C 3.58Å; F745-G753 PolarHBondContact O-N 2.75Å; F745-V755 HydrophobicContact CB-CB 4.39Å; F745-V755 HydrophobicContact CB-CG2 3.6Å; F745-V755 HydrophobicContact CD1-CG2 4.25Å; F745-V755 HydrophobicContact CD2-CG2 3.44Å; F745-V755 VanDerWaalsContact CD2-CG2 3.44Å; F745-V755 HydrophobicContact CE2-CG2 4.11Å; F745-V755 HydrophobicContact CG-CG2 3.51Å; F745-I764 HydrophobicContact CD1-CG2 3.69Å; F745-I764 HydrophobicContact CE1-CD1 4.35Å; F745-I764 HydrophobicContact CE1-CG2 3.55Å; F745-I764 HydrophobicContact CZ-CD1 4.12Å; F745-I764 HydrophobicContact CZ-CG2 4.32Å |
| 746 | A | 92.6 | Very high | 90 | Very high | 9 Ų | 9 | 38.5 Ų | 38.5 | 7% | 0.074 | 20% | 0.2 | C | C | . | . | trans | -136 | 123.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | D471 P751 | D471-A746 PolarHBondContact N-O 2.82Å; D471-A746 PolarHBondContact OD2-N 3.16Å; A746-P751 WeakPolarHBondContact CB-O 3.22Å | ||
| 747 | S | 91.1 | Very high | 90.5 | Very high | 9 Ų | 9 | 36.8 Ų | 36.8 | 6% | 0.063 | 19% | 0.194 | C | C | . | . | trans | -143 | 169.4 | 172 | 75.3 | 0 | 0 | 0 | 0 | 110.8 | F470 F745 Q749 C750 P751 | F470-S747 VanDerWaalsContact CD1-CA 3.43Å; F470-S747 WeakPolarHBondContact CD1-O 3.41Å; F470-S747 VanDerWaalsContact CE1-O 3.29Å; F470-S747 WeakPolarHBondContact CE1-O 3.39Å; F745-S747 WeakPolarHBondContact CE1-OG 3.37Å; S747-Q749 PolarHBondContact O-N 2.86Å; S747-Q749 PolarHBondContact OG-N 2.9Å; S747-C750 PolarHBondContact N-O 3.34Å; S747-C750 CarbonylContact O-C 3.56Å; S747-C750 PolarHBondContact O-N 2.84Å; S747-C750 VanDerWaalsContact O-N 3.17Å; S747-C750 VanDerWaalsContact O-O 3.07Å; S747-C750 PolarHBondContact OG-N 2.95Å; S747-P751 WeakPolarHBondContact O-CA 3.31Å; S747-P751 VanDerWaalsContact O-N 3.13Å | ||
| 748 | E | 86.1 | Confident | 90.8 | Very high | 167 Ų | 167 | 32.8 Ų | 32.8 | 78% | 0.78 | 18% | 0.175 | S | C | * | . | S | Bend | trans | -59.4 | -34.5 | 176.5 | -171.9 | 178 | 173.6 | 0 | 0 | 112.3 | F470 | F470-E748 HydrophobicContact CE2-CB 4.18Å; F470-E748 HydrophobicContact CZ-CB 4.21Å |
| 749 | Q | 83.1 | Confident | 90.9 | Very high | 142 Ų | 142 | 33.9 Ų | 33.9 | 66% | 0.664 | 18% | 0.182 | S | C | * | . | S | Bend | trans | -77.5 | -30.1 | 177.7 | -65.9 | 174.8 | 1.9 | 0 | 0 | 113 | S747 | S747-Q749 PolarHBondContact O-N 2.86Å; S747-Q749 PolarHBondContact OG-N 2.9Å |
| 750 | C | 85.1 | Confident | 90.8 | Very high | 6 Ų | 6 | 36.7 Ų | 36.7 | 4% | 0.041 | 20% | 0.197 | C | C | . | . | trans | -138.9 | 87.5 | -179.6 | -173.5 | 0 | 0 | 0 | 0 | 108.5 | M447 F745 S747 E752 | M447-C750 HydrophobicContact CG-CB 4.46Å; F745-C750 HydrophobicContact CD1-CB 4.27Å; F745-C750 HydrophobicContact CE1-CB 4.01Å; S747-C750 PolarHBondContact N-O 3.34Å; S747-C750 CarbonylContact O-C 3.56Å; S747-C750 PolarHBondContact O-N 2.84Å; S747-C750 VanDerWaalsContact O-N 3.17Å; S747-C750 VanDerWaalsContact O-O 3.07Å; S747-C750 PolarHBondContact OG-N 2.95Å; C750-E752 PolarHBondContact O-N 3.46Å | ||
| 751 | P | 85.8 | Confident | 90.9 | Very high | 95 Ų | 95 | 35.7 Ų | 35.7 | 62% | 0.617 | 19% | 0.194 | S | C | * | . | S | Bend | trans | -59.1 | -32.8 | -173.9 | -27.5 | 35.5 | 0 | 0 | 0 | 113.4 | A746 S747 | A746-P751 WeakPolarHBondContact CB-O 3.22Å; S747-P751 WeakPolarHBondContact O-CA 3.31Å; S747-P751 VanDerWaalsContact O-N 3.13Å |
| 752 | E | 88.9 | Confident | 90.7 | Very high | 57 Ų | 57 | 33.9 Ų | 33.9 | 27% | 0.266 | 19% | 0.187 | S | C | . | . | S | Bend | trans | -141.4 | 107.4 | 177.2 | -172 | 169 | -142.1 | 0 | 0 | 109.7 | R705 M706 Q707 G708 C750 | R705-E752 WeakPolarHBondContact CG-OE1 3.17Å; M706-E752 WeakPolarHBondContact CA-OE1 3.47Å; M706-E752 PolarHBondContact N-OE1 3.19Å; Q707-E752 WeakPolarHBondContact CA-OE2 3.48Å; Q707-E752 PolarHBondContact N-OE1 3.32Å; Q707-E752 PolarHBondContact N-OE2 3.14Å; G708-E752 PolarHBondContact N-OE1 3.03Å; C750-E752 PolarHBondContact O-N 3.46Å |
| 753 | G | 91.6 | Very high | 90.6 | Very high | 5 Ų | 5 | 35.4 Ų | 35.4 | 5% | 0.052 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | -173 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | F745 L765 | F745-G753 PolarHBondContact N-O 2.92Å; F745-G753 CarbonylContact O-C 3.58Å; F745-G753 PolarHBondContact O-N 2.75Å; G753-L765 CarbonylContact C-O 3.54Å; G753-L765 VanDerWaalsContact CA-O 3.3Å; G753-L765 WeakPolarHBondContact CA-O 3.42Å |
| 754 | I | 94.9 | Very high | 90.5 | Very high | 4 Ų | 4 | 35.5 Ų | 35.5 | 2% | 0.021 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 125.1 | -180 | -58.9 | 174.9 | 0 | 0 | 0 | 107.7 | V704 L713 A742 S743 L765 L767 | V704-I754 HydrophobicContact CB-CD1 4.41Å; V704-I754 HydrophobicContact CB-CG1 4.42Å; V704-I754 HydrophobicContact CG1-CD1 4.11Å; V704-I754 HydrophobicContact CG1-CG1 4.11Å; V704-I754 HydrophobicContact CG2-CD1 4.48Å; L713-I754 HydrophobicContact CD2-CD1 4.38Å; L713-I754 HydrophobicContact CD2-CG2 4.29Å; A742-I754 HydrophobicContact CB-CG2 3.63Å; S743-I754 WeakPolarHBondContact O-CA 3.37Å; I754-L765 PolarHBondContact N-O 3.02Å; I754-L765 PolarHBondContact O-N 3.03Å; I754-L767 HydrophobicContact CD1-CD1 3.63Å; I754-L767 HydrophobicContact CD1-CG 4.26Å |
| 755 | V | 94.9 | Very high | 90.4 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 124.1 | 166.5 | 171.5 | 0 | 0 | 0 | 0 | 107.6 | V459 T461 I474 A742 S743 F745 L762 R763 I764 | V459-V755 HydrophobicContact CG1-CG1 4.34Å; V459-V755 HydrophobicContact CG2-CG1 3.65Å; T461-V755 HydrophobicContact CG2-CB 4.32Å; T461-V755 HydrophobicContact CG2-CG2 4.17Å; I474-V755 HydrophobicContact CD1-CG2 4.15Å; I474-V755 HydrophobicContact CG2-CG1 4.18Å; A742-V755 CarbonylContact C-O 3.46Å; A742-V755 WeakPolarHBondContact CA-O 3.18Å; A742-V755 WeakPolarHBondContact CB-O 3.37Å; S743-V755 PolarHBondContact N-O 3.48Å; S743-V755 PolarHBondContact O-N 2.78Å; F745-V755 HydrophobicContact CB-CB 4.39Å; F745-V755 HydrophobicContact CB-CG2 3.6Å; F745-V755 HydrophobicContact CD1-CG2 4.25Å; F745-V755 HydrophobicContact CD2-CG2 3.44Å; F745-V755 VanDerWaalsContact CD2-CG2 3.44Å; F745-V755 HydrophobicContact CE2-CG2 4.11Å; F745-V755 HydrophobicContact CG-CG2 3.51Å; V755-L762 HydrophobicContact CG1-CD1 3.57Å; V755-L762 HydrophobicContact CG1-CG 4.47Å; V755-R763 WeakPolarHBondContact CA-O 3.45Å; V755-I764 HydrophobicContact CG2-CG1 4.23Å |
| 756 | A | 94.8 | Very high | 90.3 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 153.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | L739 Y741 A742 R763 L765 | L739-A756 HydrophobicContact CD1-CB 3.77Å; L739-A756 HydrophobicContact CD2-CB 3.97Å; L739-A756 HydrophobicContact CG-CB 4.3Å; Y741-A756 VanDerWaalsContact O-CA 3.3Å; Y741-A756 WeakPolarHBondContact O-CA 3.43Å; A742-A756 HydrophobicContact CB-CB 4.03Å; A756-R763 PolarHBondContact N-O 2.53Å; A756-R763 PolarHBondContact O-N 2.85Å; A756-L765 HydrophobicContact CB-CD1 4.01Å |
| 757 | I | 93.1 | Very high | 90 | Very high | 1 Ų | 1 | 34.6 Ų | 34.6 | 1% | 0.005 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 137.6 | 169.3 | 53.2 | 169.5 | 0 | 0 | 0 | 109.8 | L452 P456 V459 E740 Y741 T761 L762 | L452-I757 HydrophobicContact CD1-CG2 4.34Å; P456-I757 HydrophobicContact CB-CD1 3.88Å; P456-I757 HydrophobicContact CB-CG2 4.42Å; P456-I757 HydrophobicContact CG-CB 4.26Å; P456-I757 HydrophobicContact CG-CD1 4.16Å; P456-I757 HydrophobicContact CG-CG2 4.29Å; V459-I757 HydrophobicContact CB-CG2 4.17Å; V459-I757 HydrophobicContact CG1-CG1 4.26Å; V459-I757 HydrophobicContact CG1-CG2 4.15Å; E740-I757 HydrophobicContact CB-CG1 4.35Å; E740-I757 PolarHBondContact N-O 2.82Å; Y741-I757 PolarHBondContact O-N 2.92Å; I757-T761 VanDerWaalsContact CA-O 3.29Å; I757-T761 WeakPolarHBondContact CA-O 3.48Å; I757-L762 HydrophobicContact CG2-CD1 3.67Å |
| 758 | S | 87.6 | Confident | 89.3 | Confident | 4 Ų | 4 | 39.6 Ų | 39.6 | 3% | 0.028 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 114.4 | 176.4 | 173.1 | 0 | 0 | 0 | 0 | 107.8 | E737 T738 N760 T761 | E737-S758 WeakPolarHBondContact OE1-CB 3.44Å; E737-S758 PolarHBondContact OE1-OG 2.86Å; T738-S758 PolarHBondContact O-OG 2.94Å; S758-N760 PolarHBondContact O-N 2.89Å; S758-T761 PolarHBondContact N-O 3.09Å; S758-T761 PolarHBondContact O-N 3.48Å; S758-T761 PolarHBondContact O-OG1 3.39Å |
| 759 | T | 85.9 | Confident | 88.6 | Confident | 78 Ų | 78 | 35.3 Ų | 35.3 | 48% | 0.479 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 47.1 | -107 | -175.8 | 58.2 | 0 | 0 | 0 | 0 | 112.7 | N455 P456 | N455-T759 PolarHBondContact OD1-O 3.03Å; P456-T759 VanDerWaalsContact CD-O 3.27Å; P456-T759 WeakPolarHBondContact CD-O 3.49Å; P456-T759 WeakPolarHBondContact CG-O 3.48Å |
| 760 | N | 89.3 | Confident | 88.1 | Confident | 63 Ų | 63 | 29.2 Ų | 29.2 | 34% | 0.337 | 16% | 0.156 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.7 | 14.1 | 179.4 | 64.4 | -29.1 | 0 | 0 | 0 | 113.9 | E451 L452 S758 | E451-N760 PolarHBondContact OE1-ND2 3.41Å; L452-N760 PolarHBondContact N-O 2.88Å; S758-N760 PolarHBondContact O-N 2.89Å |
| 761 | T | 91.4 | Very high | 87 | Confident | 18 Ų | 18 | 31.8 Ų | 31.8 | 11% | 0.11 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 143.6 | -175.8 | 64.2 | 0 | 0 | 0 | 0 | 112.4 | S450 I757 S758 R763 | S450-T761 WeakPolarHBondContact O-CA 3.45Å; I757-T761 VanDerWaalsContact CA-O 3.29Å; I757-T761 WeakPolarHBondContact CA-O 3.48Å; S758-T761 PolarHBondContact N-O 3.09Å; S758-T761 PolarHBondContact O-N 3.48Å; S758-T761 PolarHBondContact O-OG1 3.39Å; T761-R763 PolarHBondContact OG1-NE 3.19Å |
| 762 | L | 92.1 | Very high | 86.1 | Confident | 8 Ų | 8 | 29 Ų | 29 | 4% | 0.042 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 131.5 | 165.6 | -177.1 | 68.6 | 0 | 0 | 0 | 108.6 | V449 S450 L452 V459 V476 L485 V755 I757 | V449-L762 WeakPolarHBondContact CA-O 3.43Å; S450-L762 PolarHBondContact N-O 3.05Å; S450-L762 PolarHBondContact O-N 2.99Å; L452-L762 HydrophobicContact CD1-CB 3.73Å; L452-L762 HydrophobicContact CD2-CB 4.34Å; L452-L762 HydrophobicContact CG-CB 3.89Å; V459-L762 HydrophobicContact CG2-CD1 4.18Å; V476-L762 HydrophobicContact CG2-CD1 4.35Å; L485-L762 HydrophobicContact CD1-CD2 3.95Å; V755-L762 HydrophobicContact CG1-CD1 3.57Å; V755-L762 HydrophobicContact CG1-CG 4.47Å; I757-L762 HydrophobicContact CG2-CD1 3.67Å |
| 763 | R | 92.9 | Very high | 85.3 | Confident | 31 Ų | 31 | 28.4 Ų | 28.4 | 12% | 0.117 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 133.6 | -175.9 | -59.1 | 179.2 | 174.8 | -83.6 | 6.7 | 110.1 | E446 A448 V449 Y736 E737 V755 A756 T761 L765 | E446-R763 IonicContact OE1-NH1 3.67Å; E446-R763 IonicContact OE2-NH1 3.77Å; A448-R763 WeakPolarHBondContact O-CA 3.4Å; V449-R763 HydrophobicContact CG1-CG 4.35Å; V449-R763 HydrophobicContact CG2-CG 4.36Å; Y736-R763 VanDerWaalsContact OH-CD 3.27Å; Y736-R763 WeakPolarHBondContact OH-CD 3.33Å; Y736-R763 VanDerWaalsContact OH-CZ 3.29Å; Y736-R763 PolarHBondContact OH-NE 2.86Å; Y736-R763 PolarHBondContact OH-NH1 2.64Å; E737-R763 IonicContact OE1-CZ 2.72Å; E737-R763 VanDerWaalsContact OE1-CZ 3.23Å; E737-R763 IonicContact OE1-NE 3.77Å; E737-R763 PolarHBondContact OE1-NE 3.19Å; E737-R763 IonicContact OE1-NH2 3.17Å; E737-R763 PolarHBondContact OE1-NH2 3.17Å; E737-R763 IonicContact OE2-NH2 2.74Å; V755-R763 WeakPolarHBondContact CA-O 3.45Å; A756-R763 PolarHBondContact N-O 2.53Å; A756-R763 PolarHBondContact O-N 2.85Å; T761-R763 PolarHBondContact OG1-NE 3.19Å; R763-L765 HydrophobicContact CB-CD2 4.02Å; R763-L765 HydrophobicContact CB-CG 4.27Å |
| 764 | I | 92.3 | Very high | 85 | Confident | 19 Ų | 19 | 28.8 Ų | 28.8 | 10% | 0.097 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 115.8 | 170.8 | -52.1 | -173.4 | 0 | 0 | 0 | 107 | M447 A448 F745 V755 | M447-I764 HydrophobicContact CB-CB 4.29Å; M447-I764 HydrophobicContact CB-CG2 4.08Å; M447-I764 PolarHBondContact N-O 3.45Å; A448-I764 HydrophobicContact CB-CB 4.18Å; A448-I764 HydrophobicContact CB-CD1 4.09Å; A448-I764 HydrophobicContact CB-CG1 4.15Å; A448-I764 PolarHBondContact N-O 3.13Å; A448-I764 PolarHBondContact O-N 3.02Å; F745-I764 HydrophobicContact CD1-CG2 3.69Å; F745-I764 HydrophobicContact CE1-CD1 4.35Å; F745-I764 HydrophobicContact CE1-CG2 3.55Å; F745-I764 HydrophobicContact CZ-CD1 4.12Å; F745-I764 HydrophobicContact CZ-CG2 4.32Å; V755-I764 HydrophobicContact CG2-CG1 4.23Å |
| 765 | L | 92.6 | Very high | 84.6 | Confident | 2 Ų | 2 | 29.9 Ų | 29.9 | 1% | 0.01 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 144.8 | -171.9 | -53.2 | 176.7 | 0 | 0 | 0 | 109.6 | V444 S445 E446 Y736 L739 G753 I754 A756 R763 | V444-L765 HydrophobicContact CG1-CB 3.82Å; V444-L765 HydrophobicContact CG1-CD1 4.02Å; V444-L765 HydrophobicContact CG1-CD2 3.85Å; V444-L765 HydrophobicContact CG1-CG 4.1Å; S445-L765 CarbonylContact O-C 3.49Å; S445-L765 WeakPolarHBondContact O-CA 3.4Å; E446-L765 HydrophobicContact CG-CD2 4Å; Y736-L765 HydrophobicContact CE1-CD1 4.43Å; Y736-L765 HydrophobicContact CE1-CD2 4.4Å; Y736-L765 HydrophobicContact CE2-CD2 4.43Å; L739-L765 HydrophobicContact CD1-CD1 3.98Å; G753-L765 CarbonylContact C-O 3.54Å; G753-L765 VanDerWaalsContact CA-O 3.3Å; G753-L765 WeakPolarHBondContact CA-O 3.42Å; I754-L765 PolarHBondContact N-O 3.02Å; I754-L765 PolarHBondContact O-N 3.03Å; A756-L765 HydrophobicContact CB-CD1 4.01Å; R763-L765 HydrophobicContact CB-CD2 4.02Å; R763-L765 HydrophobicContact CB-CG 4.27Å |
| 766 | A | 90.1 | Very high | 84.2 | Confident | 7 Ų | 7 | 30.9 Ų | 30.9 | 6% | 0.058 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 145.7 | 170.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | S445 M447 | S445-A766 PolarHBondContact N-O 3.42Å; S445-A766 PolarHBondContact O-N 3.24Å; M447-A766 HydrophobicContact CG-CB 4.13Å; M447-A766 HydrophobicContact SD-CB 4.46Å |
| 767 | L | 86.3 | Confident | 84 | Confident | 11 Ų | 11 | 33.5 Ų | 33.5 | 6% | 0.058 | 20% | 0.195 | C | C | . | . | trans | -118.7 | 87.2 | 179.6 | -59.9 | -178.6 | 0 | 0 | 0 | 108.8 | E443 V444 M706 L721 L734 I754 | E443-L767 WeakPolarHBondContact O-CD2 3.46Å; V444-L767 HydrophobicContact CB-CD2 4.18Å; V444-L767 HydrophobicContact CG1-CD2 4.15Å; V444-L767 HydrophobicContact CG2-CD2 3.72Å; M706-L767 HydrophobicContact CE-CB 3.48Å; M706-L767 VanDerWaalsContact CE-CB 3.48Å; M706-L767 HydrophobicContact CE-CD1 3.41Å; M706-L767 VanDerWaalsContact CE-CD1 3.41Å; M706-L767 HydrophobicContact CE-CG 3.9Å; M706-L767 HydrophobicContact SD-CB 4.2Å; L721-L767 HydrophobicContact CD2-CD1 3.94Å; L734-L767 HydrophobicContact CD2-CD1 3.9Å; L734-L767 HydrophobicContact CD2-CD2 3.96Å; I754-L767 HydrophobicContact CD1-CD1 3.63Å; I754-L767 HydrophobicContact CD1-CG 4.26Å | ||
| 768 | E | 76.3 | Confident | 84 | Confident | 113 Ų | 113 | 35.6 Ų | 35.6 | 53% | 0.528 | 21% | 0.213 | S | C | . | . | trans | -78.6 | -41.2 | -171.7 | -65.5 | 170.2 | -148.5 | 0 | 0 | 112.7 | S445 | S445-E768 WeakPolarHBondContact CB-OE1 3.43Å; S445-E768 PolarHBondContact OG-OE1 3.48Å | ||
| 769 | K | 72.6 | Confident | 84.4 | Confident | 78 Ų | 78 | 36.7 Ų | 36.7 | 34% | 0.339 | 22% | 0.217 | S | C | . | . | trans | -107.5 | 95.9 | -172.8 | -63.7 | -174.7 | -161.5 | 142.5 | 0 | 112.2 | L442 E443 | L442-K769 WeakPolarHBondContact CD2-O 3.43Å; E443-K769 IonicContact OE1-NZ 3.33Å; E443-K769 WeakPolarHBondContact OE2-CD 3.28Å; E443-K769 WeakPolarHBondContact OE2-CE 3.48Å; E443-K769 IonicContact OE2-NZ 2.76Å; E443-K769 PolarHBondContact OE2-NZ 3.02Å | ||
| 770 | L | 71 | Confident | 84.9 | Confident | 14 Ų | 14 | 38.2 Ų | 38.2 | 7% | 0.073 | 23% | 0.228 | C | C | . | . | S | Bend | trans | -78.7 | -20.4 | 175.7 | -82.9 | 84.7 | 0 | 0 | 0 | 115 | M706 Q707 Y723 | M706-L770 HydrophobicContact CG-CD1 3.8Å; M706-L770 HydrophobicContact CG-CD2 3.46Å; M706-L770 VanDerWaalsContact CG-CD2 3.46Å; M706-L770 HydrophobicContact CG-CG 4.02Å; M706-L770 HydrophobicContact SD-CD1 3.75Å; M706-L770 HydrophobicContact SD-CG 4.49Å; Q707-L770 HydrophobicContact CG-CD1 3.89Å; Q707-L770 HydrophobicContact CG-CD2 4.15Å; Y723-L770 HydrophobicContact CD2-CD2 3.59Å; Y723-L770 HydrophobicContact CE2-CB 4.13Å; Y723-L770 HydrophobicContact CE2-CD2 3.62Å; Y723-L770 HydrophobicContact CE2-CG 4.21Å; Y723-L770 HydrophobicContact CG-CD2 4.28Å; Y723-L770 PolarHBondContact OH-O 2.91Å |
| 771 | G | 62.6 | Low | 85.2 | Confident | 59 Ų | 59 | 35.8 Ų | 35.8 | 61% | 0.608 | 22% | 0.215 | S | C | * | . | S | Bend | trans | -89.3 | -16 | -171 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 772 | A | 67.6 | Low | 85.4 | Confident | 37 Ų | 37 | 38.6 Ų | 38.6 | 31% | 0.306 | 23% | 0.227 | S | C | . | . | trans | -94.3 | 123.6 | -179.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 773 | V | 72.7 | Confident | 85.6 | Confident | 45 Ų | 45 | 39.2 Ų | 39.2 | 27% | 0.273 | 23% | 0.229 | S | C | . | . | S | Bend | trans | -85.5 | -26 | -179 | -94.3 | 0 | 0 | 0 | 0 | 113.3 | H440 G441 | H440-V773 PolarHBondContact CD2-O 3.19Å; G441-V773 PolarHBondContact N-O 3.43Å |
| 774 | F | 85 | Confident | 85.9 | Confident | 12 Ų | 12 | 37.9 Ų | 37.9 | 5% | 0.053 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 120.1 | 176.9 | -71.5 | -78.7 | 0 | 0 | 0 | 110.2 | L8 Q9 L423 L438 R439 H440 F1217 | L8-F774 HydrophobicContact CB-CE2 4.08Å; L8-F774 HydrophobicContact CB-CZ 4.38Å; Q9-F774 HydrophobicContact CB-CD2 4Å; Q9-F774 HydrophobicContact CB-CE2 3.98Å; L423-F774 HydrophobicContact CD1-CE1 3.89Å; L423-F774 HydrophobicContact CD2-CE1 4.32Å; L423-F774 HydrophobicContact CD2-CZ 4.41Å; L438-F774 HydrophobicContact CB-CB 4.32Å; L438-F774 HydrophobicContact CB-CD1 3.95Å; L438-F774 HydrophobicContact CB-CG 4.4Å; R439-F774 WeakPolarHBondContact O-CA 3.06Å; H440-F774 HydrophobicContact CB-CD1 4.24Å; H440-F774 HydrophobicContact CB-CE1 4.09Å; F774-F1217 HydrophobicContact CE1-CD2 4.49Å; F774-F1217 AromaticContact CE1-CE2 3.71Å; F774-F1217 HydrophobicContact CE1-CE2 3.71Å; F774-F1217 HydrophobicContact CE1-CZ 4.24Å; F774-F1217 HydrophobicContact CZ-CD2 4.11Å; F774-F1217 AromaticContact CZ-CE2 3.5Å; F774-F1217 HydrophobicContact CZ-CE2 3.5Å; F774-F1217 HydrophobicContact CZ-CZ 4.42Å |
| 775 | N | 85.3 | Confident | 86.1 | Confident | 28 Ų | 28 | 37 Ų | 37 | 15% | 0.15 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 137.5 | 161.5 | -173.8 | -6.9 | 0 | 0 | 0 | 108.5 | L438 R439 G441 S735 | L438-N775 CarbonylContact C-O 3.45Å; L438-N775 WeakPolarHBondContact CA-O 2.99Å; R439-N775 PolarHBondContact N-O 3.06Å; R439-N775 PolarHBondContact O-N 3.04Å; G441-N775 PolarHBondContact O-N 3.07Å; S735-N775 WeakPolarHBondContact OG-CB 3.42Å; S735-N775 PolarHBondContact OG-ND2 2.75Å |
| 776 | Q | 87.8 | Confident | 86.3 | Confident | 20 Ų | 20 | 39.8 Ų | 39.8 | 9% | 0.093 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 135.6 | 179.2 | 52.5 | 162.5 | 38.2 | 0 | 0 | 111.8 | E402 R436 V437 L438 | E402-Q776 VanDerWaalsContact CB-NE2 3.27Å; E402-Q776 VanDerWaalsContact CD-CD 3.41Å; E402-Q776 WeakPolarHBondContact OE1-CG 3.05Å; E402-Q776 PolarHBondContact OE1-NE2 2.95Å; E402-Q776 VanDerWaalsContact OE2-CG 3.32Å; E402-Q776 WeakPolarHBondContact OE2-CG 3.4Å; E402-Q776 PolarHBondContact OE2-NE2 3.22Å; R436-Q776 VanDerWaalsContact NH1-NE2 3.14Å; V437-Q776 WeakPolarHBondContact O-CA 3.33Å; L438-Q776 HydrophobicContact CD2-CB 3.47Å; L438-Q776 VanDerWaalsContact CD2-CB 3.47Å |
| 777 | V | 89.9 | Confident | 86.6 | Confident | 56 Ų | 56 | 43.5 Ų | 43.5 | 34% | 0.339 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 122.6 | 167.3 | -179.4 | 0 | 0 | 0 | 0 | 107.9 | R436 V437 F779 | R436-V777 CarbonylContact C-O 3.43Å; R436-V777 VanDerWaalsContact CA-O 3.24Å; R436-V777 WeakPolarHBondContact CA-O 3.23Å; V437-V777 PolarHBondContact N-O 2.84Å; V437-V777 PolarHBondContact O-N 2.91Å; V777-F779 HydrophobicContact CG1-CD1 4.48Å; V777-F779 HydrophobicContact CG1-CE1 3.72Å; V777-F779 HydrophobicContact CG1-CZ 3.97Å |
| 778 | A | 92.8 | Very high | 87.1 | Confident | 45 Ų | 45 | 43 Ų | 43 | 37% | 0.372 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 130.2 | -174.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | T434 R436 | T434-A778 HydrophobicContact CG2-CB 4.22Å; R436-A778 HydrophobicContact CG-CB 3.95Å |
| 779 | F | 96 | Very high | 88.1 | Confident | 27 Ų | 27 | 38.7 Ų | 38.7 | 12% | 0.118 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 114.4 | 173.2 | -53.2 | -47.3 | 0 | 0 | 0 | 109.6 | T434 L435 V437 V777 G874 | T434-F779 CarbonylContact C-O 3.56Å; T434-F779 WeakPolarHBondContact CA-O 3.34Å; L435-F779 HydrophobicContact CB-CB 4.37Å; L435-F779 HydrophobicContact CD2-CD2 4.15Å; L435-F779 HydrophobicContact CG-CD2 4.34Å; L435-F779 PolarHBondContact N-O 2.92Å; L435-F779 WeakPolarHBondContact O-CB 3.19Å; L435-F779 PolarHBondContact O-N 2.86Å; V437-F779 HydrophobicContact CG2-CD2 4.42Å; V437-F779 HydrophobicContact CG2-CE2 3.66Å; V437-F779 HydrophobicContact CG2-CZ 4.34Å; V777-F779 HydrophobicContact CG1-CD1 4.48Å; V777-F779 HydrophobicContact CG1-CE1 3.72Å; V777-F779 HydrophobicContact CG1-CZ 3.97Å; F779-G874 VanDerWaalsContact CD1-CA 3.42Å |
| 780 | P | 96.4 | Very high | 89.2 | Confident | 110 Ų | 110 | 37.1 Ų | 37.1 | 71% | 0.714 | 22% | 0.219 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -61.2 | 143.2 | -178.6 | -24.6 | 34.7 | 0 | 0 | 0 | 113.9 | ||
| 781 | L | 96 | Very high | 90.3 | Very high | 12 Ų | 12 | 36.6 Ų | 36.6 | 6% | 0.063 | 22% | 0.216 | C | C | . | . | trans | -120.6 | 171.2 | 175.7 | -57.2 | 178.2 | 0 | 0 | 0 | 110 | S433 L435 P785 | S433-L781 WeakPolarHBondContact O-CB 3.24Å; S433-L781 PolarHBondContact O-N 3Å; L435-L781 HydrophobicContact CB-CD1 4.48Å; L781-P785 HydrophobicContact CD1-CB 3.96Å; L781-P785 HydrophobicContact CD1-CG 3.85Å | ||
| 782 | Q | 95.1 | Very high | 91.7 | Very high | 77 Ų | 77 | 37.8 Ų | 37.8 | 36% | 0.36 | 21% | 0.213 | S | C | . | . | S | Bend | trans | -100.6 | -39.8 | -176.1 | -70.8 | 173.9 | 1.6 | 0 | 0 | 112.7 | G430 P431 E801 L865 R867 | G430-Q782 CarbonylContact C-O 3.57Å; P431-Q782 WeakPolarHBondContact CA-O 3.26Å; Q782-E801 PolarHBondContact N-OE2 2.92Å; Q782-L865 HydrophobicContact CB-CD2 3.94Å; Q782-L865 VanDerWaalsContact OE1-CD2 3.3Å; Q782-R867 VanDerWaalsContact CD-NH2 3.27Å |
| 783 | Y | 97.3 | Very high | 92.8 | Very high | 20 Ų | 20 | 42 Ų | 42 | 8% | 0.078 | 23% | 0.226 | C | C | . | . | S | Bend | trans | -125 | 173.7 | 177.1 | -55.3 | -59.6 | 0 | 0 | 0 | 110.7 | G430 S433 P785 E801 D803 Y807 A863 L865 | G430-Y783 CarbonylContact O-C 3.32Å; S433-Y783 VanDerWaalsContact CB-O 3.3Å; S433-Y783 WeakPolarHBondContact CB-O 3.42Å; S433-Y783 PolarHBondContact OG-O 2.8Å; Y783-P785 VanDerWaalsContact O-CD 3.32Å; Y783-P785 WeakPolarHBondContact O-CD 3.34Å; Y783-E801 PolarHBondContact N-OE2 3.2Å; Y783-D803 WeakPolarHBondContact CA-OD2 3.44Å; Y783-D803 WeakPolarHBondContact CB-OD2 3.32Å; Y783-D803 HydrophobicContact CD1-CB 4.4Å; Y783-Y807 PolarHBondContact OH-O 3.42Å; Y783-A863 HydrophobicContact CE1-CB 3.93Å; Y783-A863 HydrophobicContact CE2-CB 4.07Å; Y783-L865 HydrophobicContact CD2-CD2 3.59Å; Y783-L865 HydrophobicContact CD2-CG 4.05Å; Y783-L865 HydrophobicContact CE2-CD2 3.83Å; Y783-L865 HydrophobicContact CE2-CG 4.47Å |
| 784 | T | 98.1 | Very high | 93.6 | Very high | 3 Ų | 3 | 42 Ų | 42 | 2% | 0.018 | 23% | 0.226 | C | C | . | . | trans | -63.9 | 119.2 | 177.7 | -51.8 | 0 | 0 | 0 | 0 | 111.2 | M408 G430 S433 E801 T802 D803 | M408-T784 HydrophobicContact CG-CG2 4.33Å; G430-T784 PolarHBondContact N-OG1 2.87Å; S433-T784 WeakPolarHBondContact OG-CA 3.22Å; T784-E801 WeakPolarHBondContact O-CA 3.5Å; T784-T802 PolarHBondContact O-N 2.7Å; T784-D803 VanDerWaalsContact CB-OD1 3.3Å; T784-D803 WeakPolarHBondContact CB-OD1 3.44Å; T784-D803 PolarHBondContact N-OD2 2.87Å; T784-D803 VanDerWaalsContact OG1-CG 3.3Å; T784-D803 PolarHBondContact OG1-OD1 2.71Å; T784-D803 PolarHBondContact OG1-OD2 2.81Å | ||
| 785 | P | 97.5 | Very high | 94 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 139.5 | 176.8 | 28 | -35.4 | 0 | 0 | 0 | 110.8 | M408 L781 Y783 I800 | M408-P785 WeakPolarHBondContact CB-O 3.41Å; M408-P785 WeakPolarHBondContact CG-O 3.5Å; L781-P785 HydrophobicContact CD1-CB 3.96Å; L781-P785 HydrophobicContact CD1-CG 3.85Å; Y783-P785 VanDerWaalsContact O-CD 3.32Å; Y783-P785 WeakPolarHBondContact O-CD 3.34Å; P785-I800 WeakPolarHBondContact CA-O 3.43Å |
| 786 | R | 96.2 | Very high | 94.5 | Very high | 61 Ų | 61 | 43.1 Ų | 43.1 | 23% | 0.23 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | -48.1 | 177.7 | -62.2 | -65.3 | 172.9 | -136.1 | -1.1 | 112.4 | I800 T802 D803 | R786-I800 HydrophobicContact CB-CD1 4.01Å; R786-I800 HydrophobicContact CB-CG1 4.12Å; R786-I800 PolarHBondContact N-O 3.48Å; R786-T802 VanDerWaalsContact CZ-O 3.22Å; R786-T802 PolarHBondContact NE-O 3.41Å; R786-T802 PolarHBondContact NH2-O 3Å; R786-D803 IonicContact NH2-OD1 2.78Å |
| 787 | K | 95.9 | Very high | 94.9 | Very high | 85 Ų | 85 | 42.2 Ų | 42.2 | 37% | 0.37 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.7 | 154.6 | -179.6 | -170.4 | 173 | -177.3 | 179.8 | 0 | 109.4 | I800 V891 | K787-I800 HydrophobicContact CB-CD1 4.34Å; K787-I800 HydrophobicContact CB-CG1 4.32Å; K787-I800 VanDerWaalsContact O-CG1 3.29Å; K787-I800 WeakPolarHBondContact O-CG1 3.23Å; K787-I800 PolarHBondContact O-N 3.3Å; K787-I800 VanDerWaalsContact O-N 3.1Å; K787-V891 HydrophobicContact CB-CG1 4.34Å; K787-V891 HydrophobicContact CG-CG1 4.42Å |
| 788 | F | 97.1 | Very high | 95.3 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 162 | 166.5 | 70.7 | -87.5 | 0 | 0 | 0 | 111.6 | Q411 Y424 L797 I798 L799 | Q411-F788 HydrophobicContact CB-CE2 3.68Å; Q411-F788 HydrophobicContact CB-CZ 3.58Å; Q411-F788 HydrophobicContact CG-CD2 4.33Å; Q411-F788 HydrophobicContact CG-CE1 4.37Å; Q411-F788 HydrophobicContact CG-CE2 3.5Å; Q411-F788 VanDerWaalsContact CG-CE2 3.5Å; Q411-F788 HydrophobicContact CG-CZ 3.52Å; Y424-F788 VanDerWaalsContact O-CZ 3.29Å; Y424-F788 WeakPolarHBondContact O-CZ 3.35Å; F788-L797 HydrophobicContact CD2-CD1 4.27Å; F788-L797 HydrophobicContact CD2-CD2 4.01Å; F788-L797 HydrophobicContact CD2-CG 4.5Å; F788-L797 HydrophobicContact CE2-CD1 4.27Å; F788-L797 HydrophobicContact CE2-CD2 4.08Å; F788-I798 CarbonylContact C-O 3.59Å; F788-I798 WeakPolarHBondContact CA-O 3.39Å; F788-I798 WeakPolarHBondContact CB-O 3.22Å; F788-L799 HydrophobicContact CB-CB 4.22Å; F788-L799 HydrophobicContact CB-CD2 4.06Å; F788-L799 HydrophobicContact CB-CG 3.64Å |
| 789 | V | 96.6 | Very high | 95.5 | Very high | 24 Ų | 24 | 37.4 Ų | 37.4 | 15% | 0.145 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 146.1 | 178.1 | -68.5 | 0 | 0 | 0 | 0 | 110.3 | I798 V891 V893 | V789-I798 HydrophobicContact CG2-CB 4.01Å; V789-I798 PolarHBondContact N-O 2.86Å; V789-I798 PolarHBondContact O-N 2.99Å; V789-V891 HydrophobicContact CG1-CG1 4.27Å; V789-V891 HydrophobicContact CG2-CG1 4.34Å; V789-V891 HydrophobicContact CG2-CG2 4.16Å; V789-V893 HydrophobicContact CG2-CB 4.5Å; V789-V893 HydrophobicContact CG2-CG2 3.58Å |
| 790 | I | 96.1 | Very high | 95.6 | Very high | 44 Ų | 44 | 36.1 Ų | 36.1 | 23% | 0.226 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 129.8 | 179.5 | -58.7 | 169.8 | 0 | 0 | 0 | 108.6 | Q411 A413 L415 P792 L797 | Q411-I790 HydrophobicContact CB-CD1 4.05Å; Q411-I790 HydrophobicContact CG-CD1 4.4Å; A413-I790 HydrophobicContact CB-CD1 3.89Å; L415-I790 HydrophobicContact CD2-CD1 4.46Å; L415-I790 HydrophobicContact CD2-CG2 3.91Å; I790-P792 WeakPolarHBondContact O-CD 3.49Å; I790-L797 HydrophobicContact CB-CD2 4.37Å; I790-L797 HydrophobicContact CG1-CD2 3.68Å |
| 791 | H | 94.8 | Very high | 95.6 | Very high | 3 Ų | 3 | 30.9 Ų | 30.9 | 1% | 0.014 | 16% | 0.155 | C | C | . | . | trans | -80.9 | 118.4 | 170 | -179.7 | -131.4 | 0 | 0 | 0 | 110.2 | E793 T794 N795 N796 W903 | H791-E793 VanDerWaalsContact C-N 3.33Å; H791-E793 PolarHBondContact O-N 3.27Å; H791-T794 PolarHBondContact ND1-N 2.92Å; H791-T794 PolarHBondContact ND1-OG1 2.91Å; H791-N795 VanDerWaalsContact O-CA 3.28Å; H791-N795 WeakPolarHBondContact O-CA 3.33Å; H791-N795 PolarHBondContact O-N 3.47Å; H791-N796 WeakPolarHBondContact CB-O 3.33Å; H791-N796 PolarHBondContact N-O 3.48Å; H791-W903 AromaticContact NE2-CD1 3.26Å; H791-W903 VanDerWaalsContact NE2-CD1 3.26Å; H791-W903 AromaticContact NE2-CD2 3.64Å; H791-W903 AromaticContact NE2-CE2 3.46Å; H791-W903 AromaticContact NE2-CG 3.5Å; H791-W903 AromaticContact NE2-NE1 3.17Å; H791-W903 PolarHBondContact NE2-NE1 3.03Å; H791-W903 VanDerWaalsContact NE2-NE1 3.17Å | ||
| 792 | P | 90.8 | Very high | 95.7 | Very high | 84 Ų | 84 | 30.3 Ų | 30.3 | 55% | 0.545 | 15% | 0.152 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -25.8 | -170 | -26.1 | 36.5 | 0 | 0 | 0 | 116.2 | I790 W903 | I790-P792 WeakPolarHBondContact O-CD 3.49Å; P792-W903 HydrophobicContact CB-CH2 4.42Å; P792-W903 HydrophobicContact CB-CZ2 4.49Å; P792-W903 HydrophobicContact CG-CH2 3.88Å; P792-W903 HydrophobicContact CG-CZ2 4.36Å |
| 793 | E | 90.8 | Very high | 95.8 | Very high | 126 Ų | 126 | 27.1 Ų | 27.1 | 59% | 0.589 | 14% | 0.138 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89.4 | -34 | -176.2 | -70.5 | -175.9 | 155.7 | 0 | 0 | 113.3 | H791 R895 W903 | H791-E793 VanDerWaalsContact C-N 3.33Å; H791-E793 PolarHBondContact O-N 3.27Å; E793-R895 IonicContact OE1-CZ 3.22Å; E793-R895 IonicContact OE1-NH2 3.85Å; E793-R895 PolarHBondContact OE1-NH2 3.48Å; E793-R895 IonicContact OE2-NH2 2.77Å; E793-R895 PolarHBondContact OE2-NH2 3.23Å; E793-W903 VanDerWaalsContact CD-NE1 3.33Å; E793-W903 HydrophobicContact CG-CZ2 4.21Å; E793-W903 PolarHBondContact OE2-NE1 3.47Å |
| 794 | T | 89.9 | Confident | 95.8 | Very high | 45 Ų | 45 | 28.6 Ų | 28.6 | 28% | 0.276 | 15% | 0.145 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -109.6 | -8 | -176.7 | 67.8 | 0 | 0 | 0 | 0 | 113.9 | H791 N796 G933 | H791-T794 PolarHBondContact ND1-N 2.92Å; H791-T794 PolarHBondContact ND1-OG1 2.91Å; T794-N796 PolarHBondContact O-N 2.94Å; T794-N796 WeakPolarHBondContact OG1-CB 3.24Å; T794-N796 PolarHBondContact OG1-N 2.78Å; T794-N796 PolarHBondContact OG1-ND2 3.3Å; T794-N796 VanDerWaalsContact OG1-ND2 3.09Å; T794-G933 WeakPolarHBondContact CG2-O 3.33Å |
| 795 | N | 93.8 | Very high | 95.6 | Very high | 52 Ų | 52 | 30.4 Ų | 30.4 | 28% | 0.278 | 16% | 0.155 | S | C | . | . | trans | 59.9 | 10 | -172.2 | -67.2 | -17.6 | 0 | 0 | 0 | 114.7 | L415 H791 P871 | L415-N795 HydrophobicContact CB-CB 4.31Å; L415-N795 HydrophobicContact CD2-CB 3.8Å; H791-N795 VanDerWaalsContact O-CA 3.28Å; H791-N795 WeakPolarHBondContact O-CA 3.33Å; H791-N795 PolarHBondContact O-N 3.47Å; N795-P871 VanDerWaalsContact O-CG 3.27Å; N795-P871 WeakPolarHBondContact O-CG 3.17Å | ||
| 796 | N | 95.2 | Very high | 95.5 | Very high | 12 Ų | 12 | 31 Ų | 31 | 6% | 0.064 | 16% | 0.159 | C | C | . | . | trans | -69.5 | 154.6 | 175 | -66.7 | -27.9 | 0 | 0 | 0 | 111.4 | H791 T794 L868 L877 G934 | H791-N796 WeakPolarHBondContact CB-O 3.33Å; H791-N796 PolarHBondContact N-O 3.48Å; T794-N796 PolarHBondContact O-N 2.94Å; T794-N796 WeakPolarHBondContact OG1-CB 3.24Å; T794-N796 PolarHBondContact OG1-N 2.78Å; T794-N796 PolarHBondContact OG1-ND2 3.3Å; T794-N796 VanDerWaalsContact OG1-ND2 3.09Å; N796-L868 HydrophobicContact CB-CD1 4.11Å; N796-L877 HydrophobicContact CB-CD1 4.44Å; N796-L877 WeakPolarHBondContact ND2-CD1 3.23Å; N796-G934 PolarHBondContact ND2-O 3.29Å | ||
| 797 | L | 96.7 | Very high | 95.4 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 134.4 | 180 | -55.9 | -176.6 | 0 | 0 | 0 | 110.8 | L415 Y424 L435 F788 I790 L799 L868 V869 P871 | L415-L797 HydrophobicContact CD1-CD2 4.03Å; Y424-L797 HydrophobicContact CD1-CD1 4.26Å; L435-L797 HydrophobicContact CD1-CD1 4.31Å; L435-L797 HydrophobicContact CD2-CD1 3.62Å; F788-L797 HydrophobicContact CD2-CD1 4.27Å; F788-L797 HydrophobicContact CD2-CD2 4.01Å; F788-L797 HydrophobicContact CD2-CG 4.5Å; F788-L797 HydrophobicContact CE2-CD1 4.27Å; F788-L797 HydrophobicContact CE2-CD2 4.08Å; I790-L797 HydrophobicContact CB-CD2 4.37Å; I790-L797 HydrophobicContact CG1-CD2 3.68Å; L797-L799 HydrophobicContact CB-CD1 3.96Å; L797-L868 CarbonylContact O-C 3.58Å; L797-L868 WeakPolarHBondContact O-CA 3.48Å; L797-V869 PolarHBondContact N-O 2.88Å; L797-V869 PolarHBondContact O-N 2.78Å; L797-P871 HydrophobicContact CD1-CB 3.91Å; L797-P871 HydrophobicContact CG-CB 4.08Å; L797-P871 HydrophobicContact CG-CG 4.25Å |
| 798 | I | 97.4 | Very high | 95.4 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 115.8 | 170.2 | -63.3 | 151.2 | 0 | 0 | 0 | 108.1 | F788 V789 V866 R867 L868 V891 V893 V905 | F788-I798 CarbonylContact C-O 3.59Å; F788-I798 WeakPolarHBondContact CA-O 3.39Å; F788-I798 WeakPolarHBondContact CB-O 3.22Å; V789-I798 HydrophobicContact CG2-CB 4.01Å; V789-I798 PolarHBondContact N-O 2.86Å; V789-I798 PolarHBondContact O-N 2.99Å; I798-V866 HydrophobicContact CG2-CG1 4.04Å; I798-R867 CarbonylContact C-O 3.55Å; I798-R867 WeakPolarHBondContact CA-O 3.33Å; I798-L868 HydrophobicContact CD1-CD1 4.27Å; I798-L868 HydrophobicContact CG1-CD1 3.41Å; I798-L868 VanDerWaalsContact CG1-CD1 3.41Å; I798-V891 HydrophobicContact CG2-CG2 3.96Å; I798-V893 HydrophobicContact CD1-CG2 3.34Å; I798-V905 HydrophobicContact CD1-CG1 4.29Å; I798-V905 HydrophobicContact CD1-CG2 3.64Å; I798-V905 HydrophobicContact CG2-CG1 3.96Å |
| 799 | L | 97.1 | Very high | 95.2 | Very high | 1 Ų | 1 | 28.9 Ų | 28.9 | 1% | 0.005 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 147.4 | -177.1 | -56.4 | 96.3 | 0 | 0 | 0 | 110.9 | L435 F788 L797 V866 R867 V869 | L435-L799 HydrophobicContact CB-CD2 4.49Å; L435-L799 HydrophobicContact CD1-CD2 4.34Å; L435-L799 HydrophobicContact CD2-CD2 4.42Å; F788-L799 HydrophobicContact CB-CB 4.22Å; F788-L799 HydrophobicContact CB-CD2 4.06Å; F788-L799 HydrophobicContact CB-CG 3.64Å; L797-L799 HydrophobicContact CB-CD1 3.96Å; L799-V866 WeakPolarHBondContact O-CA 3.48Å; L799-R867 PolarHBondContact N-O 3.22Å; L799-R867 PolarHBondContact O-N 3.4Å; L799-V869 HydrophobicContact CD1-CB 3.9Å; L799-V869 HydrophobicContact CD1-CG2 3.53Å |
| 800 | I | 98.2 | Very high | 95 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 128.4 | 165.9 | 50.5 | 164.5 | 0 | 0 | 0 | 109.7 | P785 R786 K787 V866 A888 F889 V891 V907 | P785-I800 WeakPolarHBondContact CA-O 3.43Å; R786-I800 HydrophobicContact CB-CD1 4.01Å; R786-I800 HydrophobicContact CB-CG1 4.12Å; R786-I800 PolarHBondContact N-O 3.48Å; K787-I800 HydrophobicContact CB-CD1 4.34Å; K787-I800 HydrophobicContact CB-CG1 4.32Å; K787-I800 VanDerWaalsContact O-CG1 3.29Å; K787-I800 WeakPolarHBondContact O-CG1 3.23Å; K787-I800 PolarHBondContact O-N 3.3Å; K787-I800 VanDerWaalsContact O-N 3.1Å; I800-V866 HydrophobicContact CG2-CG2 4.3Å; I800-A888 HydrophobicContact CB-CB 4.06Å; I800-A888 HydrophobicContact CD1-CB 4.34Å; I800-A888 HydrophobicContact CG2-CB 4.06Å; I800-F889 VanDerWaalsContact CD1-C 3.48Å; I800-V891 HydrophobicContact CD1-CB 4.34Å; I800-V891 HydrophobicContact CD1-CG1 4.18Å; I800-V891 HydrophobicContact CG1-CB 4.37Å; I800-V891 HydrophobicContact CG1-CG1 3.95Å; I800-V891 HydrophobicContact CG2-CB 3.92Å; I800-V891 HydrophobicContact CG2-CG1 4.24Å; I800-V891 HydrophobicContact CG2-CG2 4.36Å; I800-V907 HydrophobicContact CG2-CG1 3.99Å |
| 801 | E | 98.1 | Very high | 94.9 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 134.8 | 177.9 | -42.9 | 170.6 | -155.1 | 0 | 0 | 108.8 | Q782 Y783 T784 S864 L865 R867 | Q782-E801 PolarHBondContact N-OE2 2.92Å; Y783-E801 PolarHBondContact N-OE2 3.2Å; T784-E801 WeakPolarHBondContact O-CA 3.5Å; E801-S864 CarbonylContact O-C 3.01Å; E801-S864 WeakPolarHBondContact O-CA 3.26Å; E801-S864 WeakPolarHBondContact O-CB 3.37Å; E801-S864 PolarHBondContact O-OG 2.97Å; E801-L865 HydrophobicContact CB-CD1 4.11Å; E801-L865 HydrophobicContact CB-CG 3.98Å; E801-L865 VanDerWaalsContact CD-CD1 3.49Å; E801-L865 HydrophobicContact CG-CD1 3.8Å; E801-L865 HydrophobicContact CG-CG 4.22Å; E801-L865 PolarHBondContact N-O 2.77Å; E801-L865 PolarHBondContact O-N 2.77Å; E801-L865 WeakPolarHBondContact OE1-CD1 3.33Å; E801-R867 IonicContact OE1-CZ 3.59Å; E801-R867 IonicContact OE1-NE 3.23Å; E801-R867 PolarHBondContact OE1-NE 3.42Å; E801-R867 IonicContact OE1-NH2 3.57Å |
| 802 | T | 98.1 | Very high | 94.8 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.9 | 126.8 | -171.2 | -53.4 | 0 | 0 | 0 | 0 | 111.4 | T784 R786 W862 A863 S864 A887 A888 | T784-T802 PolarHBondContact O-N 2.7Å; R786-T802 VanDerWaalsContact CZ-O 3.22Å; R786-T802 PolarHBondContact NE-O 3.41Å; R786-T802 PolarHBondContact NH2-O 3Å; T802-W862 HydrophobicContact CG2-CE3 3.72Å; T802-W862 HydrophobicContact CG2-CZ3 3.96Å; T802-A863 WeakPolarHBondContact CA-O 3.46Å; T802-S864 PolarHBondContact OG1-OG 3.21Å; T802-A887 HydrophobicContact CG2-CB 3.65Å; T802-A888 PolarHBondContact OG1-N 2.71Å; T802-A888 PolarHBondContact OG1-O 3.37Å |
| 803 | D | 97.4 | Very high | 94.8 | Very high | 9 Ų | 9 | 30.1 Ų | 30.1 | 5% | 0.048 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 144.7 | 174.2 | -85.2 | -47.6 | 0 | 0 | 0 | 113.7 | R429 G430 Y783 T784 R786 A806 W862 A863 | R429-D803 IonicContact NH1-OD1 3.62Å; R429-D803 PolarHBondContact NH1-OD1 3.39Å; G430-D803 VanDerWaalsContact CA-OD2 3.31Å; G430-D803 WeakPolarHBondContact CA-OD2 3.34Å; Y783-D803 WeakPolarHBondContact CA-OD2 3.44Å; Y783-D803 WeakPolarHBondContact CB-OD2 3.32Å; Y783-D803 HydrophobicContact CD1-CB 4.4Å; T784-D803 VanDerWaalsContact CB-OD1 3.3Å; T784-D803 WeakPolarHBondContact CB-OD1 3.44Å; T784-D803 PolarHBondContact N-OD2 2.87Å; T784-D803 VanDerWaalsContact OG1-CG 3.3Å; T784-D803 PolarHBondContact OG1-OD1 2.71Å; T784-D803 PolarHBondContact OG1-OD2 2.81Å; R786-D803 IonicContact NH2-OD1 2.78Å; D803-A806 HydrophobicContact CB-CB 3.83Å; D803-W862 WeakPolarHBondContact O-CA 3.42Å; D803-A863 PolarHBondContact N-O 3.04Å; D803-A863 PolarHBondContact O-N 2.8Å; D803-A863 VanDerWaalsContact O-N 3.1Å |
| 804 | H | 96.1 | Very high | 94.9 | Very high | 51 Ų | 51 | 30.5 Ų | 30.5 | 24% | 0.236 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 149.2 | 172.9 | 179.7 | -103.9 | 0 | 0 | 0 | 109.9 | A806 W862 | H804-A806 VanDerWaalsContact C-N 3.26Å; H804-A806 PolarHBondContact O-N 3.22Å; H804-W862 HydrophobicContact CB-CD2 4.29Å; H804-W862 HydrophobicContact CB-CE3 3.96Å; H804-W862 HydrophobicContact CB-CH2 3.72Å; H804-W862 HydrophobicContact CB-CZ2 4.06Å; H804-W862 HydrophobicContact CB-CZ3 3.66Å; H804-W862 AromaticContact CD2-CE2 3.48Å; H804-W862 VanDerWaalsContact CD2-CE2 3.48Å; H804-W862 AromaticContact CD2-CH2 3.98Å; H804-W862 AromaticContact CD2-CZ2 3.4Å; H804-W862 VanDerWaalsContact CD2-CZ2 3.4Å; H804-W862 WeakPolarHBondContact CD2-CZ2 3.01Å; H804-W862 AromaticContact CD2-NE1 3.74Å |
| 805 | N | 94.8 | Very high | 94.9 | Very high | 42 Ų | 42 | 31.3 Ų | 31.3 | 23% | 0.225 | 17% | 0.166 | C | C | . | . | S | Bend | trans | 55 | 41.4 | -171.6 | -62.5 | -8.4 | 0 | 0 | 0 | 111.6 | K856 A857 G858 A859 Q861 | N805-K856 CarbonylContact O-C 3.44Å; N805-K856 WeakPolarHBondContact O-CA 3.42Å; N805-A857 PolarHBondContact O-N 2.83Å; N805-G858 PolarHBondContact OD1-O 3.18Å; N805-A859 WeakPolarHBondContact OD1-CA 3.39Å; N805-Q861 WeakPolarHBondContact CA-O 3.29Å; N805-Q861 PolarHBondContact N-O 2.85Å |
| 806 | A | 94.8 | Very high | 94.7 | Very high | 11 Ų | 11 | 29.6 Ų | 29.6 | 9% | 0.091 | 16% | 0.156 | C | C | . | . | B | Isolated β-bridge | trans | -127.4 | 148.3 | -178.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | D803 H804 W862 A863 Q884 | D803-A806 HydrophobicContact CB-CB 3.83Å; H804-A806 VanDerWaalsContact C-N 3.26Å; H804-A806 PolarHBondContact O-N 3.22Å; A806-W862 CarbonylContact O-C 3.54Å; A806-A863 HydrophobicContact CB-CB 3.79Å; A806-Q884 PolarHBondContact O-NE2 3.21Å |
| 807 | Y | 94.3 | Very high | 94.5 | Very high | 11 Ų | 11 | 33.1 Ų | 33.1 | 4% | 0.043 | 17% | 0.172 | C | C | . | . | trans | -94.1 | 144.3 | 171.2 | -68.5 | -54.6 | 0 | 0 | 0 | 111.4 | Y783 T811 K812 R815 A857 A863 | Y783-Y807 PolarHBondContact OH-O 3.42Å; Y807-T811 HydrophobicContact CD1-CG2 3.56Å; Y807-T811 HydrophobicContact CE1-CG2 4.12Å; Y807-T811 HydrophobicContact CG-CG2 4.26Å; Y807-K812 HydrophobicContact CG-CG 4.41Å; Y807-K812 WeakPolarHBondContact O-CE 3.46Å; Y807-R815 VanDerWaalsContact OH-CZ 3.29Å; Y807-R815 PolarHBondContact OH-NH1 2.79Å; Y807-A857 HydrophobicContact CD1-CB 3.45Å; Y807-A857 VanDerWaalsContact CD1-CB 3.45Å; Y807-A857 HydrophobicContact CD2-CB 3.76Å; Y807-A857 HydrophobicContact CE1-CB 3.22Å; Y807-A857 VanDerWaalsContact CE2-CA 3.47Å; Y807-A857 HydrophobicContact CE2-CB 3.56Å; Y807-A857 HydrophobicContact CG-CB 3.69Å; Y807-A857 VanDerWaalsContact OH-CA 3.24Å; Y807-A857 WeakPolarHBondContact OH-CA 3.13Å; Y807-A857 PolarHBondContact OH-O 3.49Å; Y807-A863 WeakPolarHBondContact O-CB 3.39Å | ||
| 808 | T | 95.2 | Very high | 94.2 | Very high | 4 Ų | 4 | 38.2 Ų | 38.2 | 3% | 0.025 | 20% | 0.196 | C | C | . | . | trans | -70.3 | 157.9 | 162.9 | 66.5 | 0 | 0 | 0 | 0 | 110.3 | T810 T811 K812 A863 | T808-T810 PolarHBondContact O-N 2.91Å; T808-T810 PolarHBondContact OG1-OG1 2.92Å; T808-T811 PolarHBondContact O-N 3.41Å; T808-T811 PolarHBondContact OG1-N 3.01Å; T808-T811 PolarHBondContact OG1-OG1 3Å; T808-K812 WeakPolarHBondContact O-CG 3.19Å; T808-K812 PolarHBondContact O-N 3.12Å; T808-A863 HydrophobicContact CG2-CB 4.06Å | ||
| 809 | E | 92.6 | Very high | 93.7 | Very high | 87 Ų | 87 | 39.6 Ų | 39.6 | 41% | 0.407 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -57.8 | -37.3 | -179.5 | -167.1 | 57.2 | -151.6 | 0 | 0 | 112.7 | T811 K812 A813 | E809-T811 PolarHBondContact O-N 2.94Å; E809-K812 PolarHBondContact O-N 3.47Å; E809-A813 PolarHBondContact O-N 2.92Å |
| 810 | T | 93.6 | Very high | 93.3 | Very high | 79 Ų | 79 | 39.8 Ų | 39.8 | 49% | 0.485 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -62.7 | -42.4 | 175.5 | 54.9 | 0 | 0 | 0 | 0 | 112.2 | T808 Q814 | T808-T810 PolarHBondContact O-N 2.91Å; T808-T810 PolarHBondContact OG1-OG1 2.92Å; T810-Q814 VanDerWaalsContact O-CG 3.32Å; T810-Q814 WeakPolarHBondContact O-CG 3.47Å; T810-Q814 PolarHBondContact O-N 2.88Å; T810-Q814 VanDerWaalsContact O-N 3.13Å |
| 811 | T | 93.4 | Very high | 92.9 | Very high | 29 Ų | 29 | 44.7 Ų | 44.7 | 18% | 0.178 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -72.1 | -37.5 | -179.8 | -52 | 0 | 0 | 0 | 0 | 110.9 | Y807 T808 E809 Q814 R815 Q884 | Y807-T811 HydrophobicContact CD1-CG2 3.56Å; Y807-T811 HydrophobicContact CE1-CG2 4.12Å; Y807-T811 HydrophobicContact CG-CG2 4.26Å; T808-T811 PolarHBondContact O-N 3.41Å; T808-T811 PolarHBondContact OG1-N 3.01Å; T808-T811 PolarHBondContact OG1-OG1 3Å; E809-T811 PolarHBondContact O-N 2.94Å; T811-Q814 PolarHBondContact O-N 2.74Å; T811-R815 WeakPolarHBondContact O-CB 3.38Å; T811-R815 PolarHBondContact O-N 2.72Å; T811-Q884 PolarHBondContact OG1-OE1 2.96Å |
| 812 | K | 91.9 | Very high | 92.4 | Very high | 17 Ų | 17 | 49.3 Ų | 49.3 | 7% | 0.074 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -58.2 | -50.1 | 173 | -69.7 | 178 | -175.8 | 172 | 0 | 111 | Y807 T808 E809 Q814 R815 K816 E849 | Y807-K812 HydrophobicContact CG-CG 4.41Å; Y807-K812 WeakPolarHBondContact O-CE 3.46Å; T808-K812 WeakPolarHBondContact O-CG 3.19Å; T808-K812 PolarHBondContact O-N 3.12Å; E809-K812 PolarHBondContact O-N 3.47Å; K812-Q814 VanDerWaalsContact C-N 3.33Å; K812-Q814 PolarHBondContact O-N 2.68Å; K812-R815 PolarHBondContact O-N 2.79Å; K812-K816 VanDerWaalsContact O-CB 3.27Å; K812-K816 WeakPolarHBondContact O-CB 3.28Å; K812-K816 PolarHBondContact O-N 2.85Å; K812-E849 IonicContact NZ-OE1 3.81Å; K812-E849 PolarHBondContact NZ-OE1 2.93Å; K812-E849 IonicContact NZ-OE2 2.78Å; K812-E849 PolarHBondContact NZ-OE2 3.32Å |
| 813 | A | 91.6 | Very high | 91.7 | Very high | 57 Ų | 57 | 50.8 Ų | 50.8 | 47% | 0.471 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -60.2 | -42.1 | 179 | 0 | 0 | 0 | 0 | 0 | 112.3 | E809 Q817 | E809-A813 PolarHBondContact O-N 2.92Å; A813-Q817 WeakPolarHBondContact O-CB 3.31Å; A813-Q817 PolarHBondContact O-N 3Å |
| 814 | Q | 92.4 | Very high | 91.1 | Very high | 134 Ų | 134 | 52 Ų | 52 | 63% | 0.626 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -64.4 | -45.6 | 176.7 | -73.2 | 173.2 | -1.8 | 0 | 0 | 112.5 | T810 T811 K812 Q817 Q818 | T810-Q814 VanDerWaalsContact O-CG 3.32Å; T810-Q814 WeakPolarHBondContact O-CG 3.47Å; T810-Q814 PolarHBondContact O-N 2.88Å; T810-Q814 VanDerWaalsContact O-N 3.13Å; T811-Q814 PolarHBondContact O-N 2.74Å; K812-Q814 VanDerWaalsContact C-N 3.33Å; K812-Q814 PolarHBondContact O-N 2.68Å; Q814-Q817 WeakPolarHBondContact O-CB 3.38Å; Q814-Q817 PolarHBondContact O-N 3.15Å; Q814-Q818 PolarHBondContact O-N 2.9Å |
| 815 | R | 89.6 | Confident | 90.6 | Very high | 61 Ų | 61 | 57 Ų | 57 | 23% | 0.23 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -66.2 | -40.2 | 178.5 | -172 | 171.8 | 175.8 | 125.4 | -11.7 | 111.5 | L278 D279 Y807 T811 K812 Q817 Q818 M819 | L278-R815 HydrophobicContact CD2-CB 4.27Å; L278-R815 HydrophobicContact CD2-CG 4.24Å; L278-R815 PolarHBondContact O-NE 3.06Å; L278-R815 VanDerWaalsContact O-NE 3.08Å; L278-R815 PolarHBondContact O-NH2 2.92Å; D279-R815 PolarHBondContact O-NH2 3.2Å; Y807-R815 VanDerWaalsContact OH-CZ 3.29Å; Y807-R815 PolarHBondContact OH-NH1 2.79Å; T811-R815 WeakPolarHBondContact O-CB 3.38Å; T811-R815 PolarHBondContact O-N 2.72Å; K812-R815 PolarHBondContact O-N 2.79Å; R815-Q817 VanDerWaalsContact C-N 3.31Å; R815-Q817 PolarHBondContact O-N 2.86Å; R815-Q818 PolarHBondContact O-N 3.35Å; R815-M819 HydrophobicContact CG-SD 4.44Å; R815-M819 WeakPolarHBondContact O-CG 3.18Å; R815-M819 PolarHBondContact O-N 2.85Å |
| 816 | K | 90.1 | Very high | 90 | Very high | 16 Ų | 16 | 59.3 Ų | 59.3 | 7% | 0.07 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -60.2 | -42.4 | 175 | -158.2 | -176.6 | -170.8 | -169.7 | 0 | 111.7 | L278 K812 A820 F842 L843 E845 N846 | L278-K816 HydrophobicContact CD2-CB 4.34Å; K812-K816 VanDerWaalsContact O-CB 3.27Å; K812-K816 WeakPolarHBondContact O-CB 3.28Å; K812-K816 PolarHBondContact O-N 2.85Å; K816-A820 WeakPolarHBondContact O-CB 3.42Å; K816-A820 PolarHBondContact O-N 2.87Å; K816-A820 VanDerWaalsContact O-N 3.09Å; K816-F842 HydrophobicContact CB-CE1 4.35Å; K816-F842 HydrophobicContact CD-CE1 4.36Å; K816-F842 WeakPolarHBondContact CE-O 3.38Å; K816-F842 HydrophobicContact CG-CD1 3.96Å; K816-F842 HydrophobicContact CG-CE1 3.31Å; K816-F842 HydrophobicContact CG-CZ 3.7Å; K816-F842 PolarHBondContact NZ-O 2.93Å; K816-L843 HydrophobicContact CB-CD2 4.48Å; K816-L843 HydrophobicContact CD-CD2 4.31Å; K816-L843 HydrophobicContact CG-CD2 4.09Å; K816-L843 PolarHBondContact NZ-O 2.85Å; K816-E845 PolarHBondContact NZ-O 2.7Å; K816-N846 PolarHBondContact NZ-OD1 3.29Å |
| 817 | Q | 91.3 | Very high | 89.2 | Confident | 87 Ų | 87 | 60 Ų | 60 | 41% | 0.407 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -64.2 | -45 | 174.6 | -176.7 | 65.4 | 30.2 | 0 | 0 | 111.9 | A813 Q814 R815 M819 A820 E821 | A813-Q817 WeakPolarHBondContact O-CB 3.31Å; A813-Q817 PolarHBondContact O-N 3Å; Q814-Q817 WeakPolarHBondContact O-CB 3.38Å; Q814-Q817 PolarHBondContact O-N 3.15Å; R815-Q817 VanDerWaalsContact C-N 3.31Å; R815-Q817 PolarHBondContact O-N 2.86Å; Q817-M819 PolarHBondContact O-N 3Å; Q817-A820 WeakPolarHBondContact O-CB 3.13Å; Q817-A820 PolarHBondContact O-N 2.87Å; Q817-E821 PolarHBondContact NE2-OE1 2.67Å; Q817-E821 WeakPolarHBondContact O-CG 3.42Å; Q817-E821 PolarHBondContact O-N 3.48Å |
| 818 | Q | 90.2 | Very high | 88.4 | Confident | 106 Ų | 106 | 61.5 Ų | 61.5 | 50% | 0.495 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -59.8 | -45.5 | 177 | -176.4 | -175 | -13.4 | 0 | 0 | 111.7 | Q814 R815 A820 E821 E822 | Q814-Q818 PolarHBondContact O-N 2.9Å; R815-Q818 PolarHBondContact O-N 3.35Å; Q818-A820 VanDerWaalsContact C-N 3.31Å; Q818-A820 PolarHBondContact O-N 3.27Å; Q818-E821 WeakPolarHBondContact O-CB 3.28Å; Q818-E821 PolarHBondContact O-N 3.4Å; Q818-E821 VanDerWaalsContact O-N 3.15Å; Q818-E822 WeakPolarHBondContact CG-OE1 3.16Å; Q818-E822 PolarHBondContact NE2-OE1 3.15Å; Q818-E822 WeakPolarHBondContact O-CG 3.4Å; Q818-E822 PolarHBondContact O-N 2.9Å |
| 819 | M | 87.1 | Confident | 87.4 | Confident | 30 Ų | 30 | 70 Ų | 70 | 15% | 0.148 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -63.1 | -38.3 | 177.4 | -69 | 176 | 73.2 | 0 | 0 | 112.1 | N276 D277 L278 R815 Q817 E821 E822 M823 F842 | N276-M819 VanDerWaalsContact C-CE 3.5Å; N276-M819 HydrophobicContact CB-CE 4Å; N276-M819 WeakPolarHBondContact O-CE 3.47Å; D277-M819 WeakPolarHBondContact O-CE 3.37Å; L278-M819 HydrophobicContact CG-SD 4.33Å; R815-M819 HydrophobicContact CG-SD 4.44Å; R815-M819 WeakPolarHBondContact O-CG 3.18Å; R815-M819 PolarHBondContact O-N 2.85Å; Q817-M819 PolarHBondContact O-N 3Å; M819-E821 VanDerWaalsContact C-N 3.3Å; M819-E821 PolarHBondContact O-N 3.3Å; M819-E822 PolarHBondContact O-N 3.25Å; M819-M823 WeakPolarHBondContact O-CB 3.38Å; M819-M823 WeakPolarHBondContact O-CG 3.41Å; M819-M823 PolarHBondContact O-N 3.22Å; M819-F842 HydrophobicContact CB-CE1 4.24Å |
| 820 | A | 88.1 | Confident | 86.4 | Confident | 5 Ų | 5 | 73.8 Ų | 73.8 | 4% | 0.041 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -63 | -37.5 | 175 | 0 | 0 | 0 | 0 | 0 | 112.1 | K816 Q817 Q818 V824 A839 L843 | K816-A820 WeakPolarHBondContact O-CB 3.42Å; K816-A820 PolarHBondContact O-N 2.87Å; K816-A820 VanDerWaalsContact O-N 3.09Å; Q817-A820 WeakPolarHBondContact O-CB 3.13Å; Q817-A820 PolarHBondContact O-N 2.87Å; Q818-A820 VanDerWaalsContact C-N 3.31Å; Q818-A820 PolarHBondContact O-N 3.27Å; A820-V824 WeakPolarHBondContact O-CG2 3.35Å; A820-V824 PolarHBondContact O-N 2.78Å; A820-A839 HydrophobicContact CB-CB 4.03Å; A820-L843 HydrophobicContact CB-CD1 3.78Å; A820-L843 HydrophobicContact CB-CD2 4.23Å; A820-L843 HydrophobicContact CB-CG 3.92Å |
| 821 | E | 89.4 | Confident | 85.5 | Confident | 102 Ų | 102 | 76.1 Ų | 76.1 | 48% | 0.477 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -67.6 | -47.1 | 174.8 | -71.2 | 167.5 | -167.3 | 0 | 0 | 111.3 | Q817 Q818 M819 M823 V824 E825 | Q817-E821 PolarHBondContact NE2-OE1 2.67Å; Q817-E821 WeakPolarHBondContact O-CG 3.42Å; Q817-E821 PolarHBondContact O-N 3.48Å; Q818-E821 WeakPolarHBondContact O-CB 3.28Å; Q818-E821 PolarHBondContact O-N 3.4Å; Q818-E821 VanDerWaalsContact O-N 3.15Å; M819-E821 VanDerWaalsContact C-N 3.3Å; M819-E821 PolarHBondContact O-N 3.3Å; E821-M823 VanDerWaalsContact C-N 3.31Å; E821-M823 PolarHBondContact O-N 3.01Å; E821-V824 PolarHBondContact O-N 3.37Å; E821-V824 VanDerWaalsContact O-N 3.13Å; E821-E825 WeakPolarHBondContact O-CG 3.29Å; E821-E825 PolarHBondContact O-N 2.8Å |
| 822 | E | 87.6 | Confident | 84.8 | Confident | 98 Ų | 98 | 81.4 Ų | 81.4 | 46% | 0.458 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -59.9 | -38.7 | 177 | -71.5 | 172.6 | -169.9 | 0 | 0 | 112.3 | Q818 M819 V824 E825 A826 | Q818-E822 WeakPolarHBondContact CG-OE1 3.16Å; Q818-E822 PolarHBondContact NE2-OE1 3.15Å; Q818-E822 WeakPolarHBondContact O-CG 3.4Å; Q818-E822 PolarHBondContact O-N 2.9Å; M819-E822 PolarHBondContact O-N 3.25Å; E822-V824 VanDerWaalsContact C-N 3.35Å; E822-V824 PolarHBondContact O-N 2.89Å; E822-E825 PolarHBondContact O-N 3.08Å; E822-A826 VanDerWaalsContact O-CB 3.32Å; E822-A826 WeakPolarHBondContact O-CB 3.31Å; E822-A826 PolarHBondContact O-N 3.49Å |
| 823 | M | 83.6 | Confident | 84.1 | Confident | 31 Ų | 31 | 88.6 Ų | 88.6 | 15% | 0.153 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -61.4 | -40.6 | 174.9 | -75.5 | 175.2 | 75.7 | 0 | 0 | 112.8 | N276 M819 E821 M838 | N276-M823 PolarHBondContact ND2-SD 2.94Å; M819-M823 WeakPolarHBondContact O-CB 3.38Å; M819-M823 WeakPolarHBondContact O-CG 3.41Å; M819-M823 PolarHBondContact O-N 3.22Å; E821-M823 VanDerWaalsContact C-N 3.31Å; E821-M823 PolarHBondContact O-N 3.01Å; M823-M838 HydrophobicContact CE-CB 4.16Å; M823-M838 HydrophobicContact CE-CE 3.61Å |
| 824 | V | 86.2 | Confident | 83.6 | Confident | 33 Ų | 33 | 91.5 Ų | 91.5 | 20% | 0.2 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -75.8 | -31.7 | 179.7 | 175.6 | 0 | 0 | 0 | 0 | 111.2 | A820 E821 E822 R832 A836 A839 | A820-V824 WeakPolarHBondContact O-CG2 3.35Å; A820-V824 PolarHBondContact O-N 2.78Å; E821-V824 PolarHBondContact O-N 3.37Å; E821-V824 VanDerWaalsContact O-N 3.13Å; E822-V824 VanDerWaalsContact C-N 3.35Å; E822-V824 PolarHBondContact O-N 2.89Å; V824-R832 HydrophobicContact CG1-CG 4.12Å; V824-A836 HydrophobicContact CG2-CB 4.41Å; V824-A839 HydrophobicContact CG2-CB 4.02Å |
| 825 | E | 85.4 | Confident | 82.9 | Confident | 157 Ų | 157 | 85.6 Ų | 85.6 | 73% | 0.734 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -73.9 | -33.7 | 176.5 | -72.9 | -171.6 | 169.2 | 0 | 0 | 113.2 | E821 E822 A827 | E821-E825 WeakPolarHBondContact O-CG 3.29Å; E821-E825 PolarHBondContact O-N 2.8Å; E822-E825 PolarHBondContact O-N 3.08Å; E825-A827 VanDerWaalsContact C-N 3.3Å; E825-A827 PolarHBondContact O-N 3.29Å |
| 826 | A | 81.8 | Confident | 82.6 | Confident | 91 Ų | 91 | 84.9 Ų | 84.9 | 75% | 0.752 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -74.3 | -18.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | E822 | E822-A826 VanDerWaalsContact O-CB 3.32Å; E822-A826 WeakPolarHBondContact O-CB 3.31Å; E822-A826 PolarHBondContact O-N 3.49Å |
| 827 | A | 78.5 | Confident | 82.3 | Confident | 25 Ų | 25 | 90.8 Ų | 90.8 | 21% | 0.207 | 47% | 0.472 | C | S | . | . | S | Bend | trans | -77.9 | 138.8 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | E825 A835 | E825-A827 VanDerWaalsContact C-N 3.3Å; E825-A827 PolarHBondContact O-N 3.29Å; A827-A835 HydrophobicContact CB-CB 3.52Å |
| 828 | G | 77.2 | Confident | 81.9 | Confident | 43 Ų | 43 | 91.5 Ų | 91.5 | 44% | 0.443 | 48% | 0.476 | S | S | . | . | trans | -65 | 162.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | D830 E831 R832 | G828-D830 PolarHBondContact O-N 3.27Å; G828-E831 PolarHBondContact O-N 3.1Å; G828-R832 PolarHBondContact O-N 2.82Å | ||
| 829 | E | 74 | Confident | 81.6 | Confident | 182 Ų | 182 | 86.7 Ų | 86.7 | 85% | 0.85 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.3 | -32 | -176.3 | -70.6 | -166.8 | 157.9 | 0 | 0 | 113.6 | ||
| 830 | D | 70.9 | Confident | 81.6 | Confident | 167 Ų | 167 | 88 Ų | 88 | 89% | 0.893 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.8 | -19.4 | -179.5 | -62.8 | -34.5 | 0 | 0 | 0 | 114.1 | G828 | G828-D830 PolarHBondContact O-N 3.27Š|
| 831 | E | 76 | Confident | 81.4 | Confident | 128 Ų | 128 | 90.5 Ų | 90.5 | 60% | 0.598 | 49% | 0.491 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.7 | -0.4 | -176.4 | -67.8 | -177.7 | 168.3 | 0 | 0 | 113.1 | G828 E833 L834 A835 | G828-E831 PolarHBondContact O-N 3.1Å; E831-E833 VanDerWaalsContact C-N 3.32Å; E831-E833 PolarHBondContact O-N 2.92Å; E831-L834 PolarHBondContact O-N 2.86Å; E831-A835 PolarHBondContact O-N 3.33Å |
| 832 | R | 77.4 | Confident | 81.2 | Confident | 139 Ų | 139 | 87.3 Ų | 87.3 | 53% | 0.525 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -63.7 | -33.6 | -173.4 | -162.6 | 174.2 | -175 | 168 | 4.7 | 113.8 | V824 G828 A836 | V824-R832 HydrophobicContact CG1-CG 4.12Å; G828-R832 PolarHBondContact O-N 2.82Å; R832-A836 WeakPolarHBondContact O-CB 3.37Å; R832-A836 PolarHBondContact O-N 2.82Å |
| 833 | E | 78.4 | Confident | 81.2 | Confident | 169 Ų | 169 | 85.5 Ų | 85.5 | 79% | 0.79 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -67.2 | -44.2 | 175.5 | -71.2 | -173.9 | 166.2 | 0 | 0 | 111.5 | E831 A836 E837 | E831-E833 VanDerWaalsContact C-N 3.32Å; E831-E833 PolarHBondContact O-N 2.92Å; E833-A836 PolarHBondContact O-N 3.27Å; E833-E837 PolarHBondContact O-N 3.27Å |
| 834 | L | 79.4 | Confident | 81.5 | Confident | 117 Ų | 117 | 91 Ų | 91 | 61% | 0.613 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -63.8 | -43.2 | 175.1 | -94.6 | 133.7 | 0 | 0 | 0 | 112 | E831 A836 E837 M838 | E831-L834 PolarHBondContact O-N 2.86Å; L834-A836 VanDerWaalsContact C-N 3.29Å; L834-A836 PolarHBondContact O-N 2.86Å; L834-E837 PolarHBondContact O-N 2.9Å; L834-M838 WeakPolarHBondContact O-CG 3.24Å; L834-M838 PolarHBondContact O-N 2.85Å |
| 835 | A | 79.7 | Confident | 81.5 | Confident | 11 Ų | 11 | 94.4 Ų | 94.4 | 9% | 0.091 | 51% | 0.513 | C | S | . | . | H | α-helix | trans | -61.7 | -38.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112 | A827 E831 M838 A839 | A827-A835 HydrophobicContact CB-CB 3.52Å; E831-A835 PolarHBondContact O-N 3.33Å; A835-M838 PolarHBondContact O-N 2.89Å; A835-A839 VanDerWaalsContact O-CB 3.27Å; A835-A839 WeakPolarHBondContact O-CB 3.46Å; A835-A839 PolarHBondContact O-N 2.71Å |
| 836 | A | 83.1 | Confident | 81.5 | Confident | 45 Ų | 45 | 92.4 Ų | 92.4 | 37% | 0.372 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -66.3 | -38.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | V824 R832 E833 L834 A839 A840 | V824-A836 HydrophobicContact CG2-CB 4.41Å; R832-A836 WeakPolarHBondContact O-CB 3.37Å; R832-A836 PolarHBondContact O-N 2.82Å; E833-A836 PolarHBondContact O-N 3.27Å; L834-A836 VanDerWaalsContact C-N 3.29Å; L834-A836 PolarHBondContact O-N 2.86Å; A836-A839 PolarHBondContact O-N 3.02Å; A836-A840 WeakPolarHBondContact O-CB 3.42Å; A836-A840 PolarHBondContact O-N 3.05Å |
| 837 | E | 83.9 | Confident | 81.8 | Confident | 141 Ų | 141 | 90.6 Ų | 90.6 | 66% | 0.659 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -64.8 | -43.5 | 173.3 | -72.4 | -174.7 | 168.8 | 0 | 0 | 112.1 | E833 L834 A840 A841 | E833-E837 PolarHBondContact O-N 3.27Å; L834-E837 PolarHBondContact O-N 2.9Å; E837-A840 PolarHBondContact O-N 3.38Å; E837-A841 PolarHBondContact O-N 3.25Å |
| 838 | M | 81.3 | Confident | 82.5 | Confident | 101 Ų | 101 | 92.9 Ų | 92.9 | 50% | 0.498 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64.6 | -41.4 | 175.7 | -64.9 | -159.2 | -29.3 | 0 | 0 | 112.2 | M823 L834 A835 A840 A841 F842 | M823-M838 HydrophobicContact CE-CB 4.16Å; M823-M838 HydrophobicContact CE-CE 3.61Å; L834-M838 WeakPolarHBondContact O-CG 3.24Å; L834-M838 PolarHBondContact O-N 2.85Å; A835-M838 PolarHBondContact O-N 2.89Å; M838-A840 VanDerWaalsContact C-N 3.32Å; M838-A840 PolarHBondContact O-N 2.98Å; M838-A841 PolarHBondContact O-N 2.77Å; M838-F842 WeakPolarHBondContact O-CB 3.27Å; M838-F842 PolarHBondContact O-N 2.68Å |
| 839 | A | 84.1 | Confident | 83.3 | Confident | 6 Ų | 6 | 93.4 Ų | 93.4 | 5% | 0.05 | 49% | 0.488 | C | S | . | . | H | α-helix | trans | -62.2 | -40 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | A820 V824 A835 A836 F842 L843 | A820-A839 HydrophobicContact CB-CB 4.03Å; V824-A839 HydrophobicContact CG2-CB 4.02Å; A835-A839 VanDerWaalsContact O-CB 3.27Å; A835-A839 WeakPolarHBondContact O-CB 3.46Å; A835-A839 PolarHBondContact O-N 2.71Å; A836-A839 PolarHBondContact O-N 3.02Å; A839-F842 PolarHBondContact O-N 3.18Å; A839-L843 WeakPolarHBondContact O-CB 3.47Å; A839-L843 WeakPolarHBondContact O-CG 3.38Å; A839-L843 PolarHBondContact O-N 3.04Å |
| 840 | A | 86.6 | Confident | 84.1 | Confident | 57 Ų | 57 | 87 Ų | 87 | 47% | 0.471 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -66.1 | -41.5 | 175 | 0 | 0 | 0 | 0 | 0 | 112.2 | A836 E837 M838 L843 N844 | A836-A840 WeakPolarHBondContact O-CB 3.42Å; A836-A840 PolarHBondContact O-N 3.05Å; E837-A840 PolarHBondContact O-N 3.38Å; M838-A840 VanDerWaalsContact C-N 3.32Å; M838-A840 PolarHBondContact O-N 2.98Å; A840-L843 PolarHBondContact O-N 3.07Å; A840-N844 VanDerWaalsContact O-CB 3.32Å; A840-N844 WeakPolarHBondContact O-CB 3.44Å; A840-N844 PolarHBondContact O-N 3.34Å |
| 841 | A | 85.6 | Confident | 85.1 | Confident | 58 Ų | 58 | 83.1 Ų | 83.1 | 48% | 0.479 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -62.4 | -47.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | E837 M838 L843 N844 E845 | E837-A841 PolarHBondContact O-N 3.25Å; M838-A841 PolarHBondContact O-N 2.77Å; A841-L843 PolarHBondContact O-N 3.25Å; A841-N844 PolarHBondContact O-N 2.83Å; A841-E845 PolarHBondContact O-N 3.07Å |
| 842 | F | 85.3 | Confident | 86 | Confident | 35 Ų | 35 | 77.4 Ų | 77.4 | 15% | 0.154 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -57.6 | -48.8 | 175.8 | 175.6 | -114.5 | 0 | 0 | 0 | 111.4 | N276 L278 K816 M819 M838 A839 N844 E845 | N276-F842 HydrophobicContact CB-CD2 4.1Å; N276-F842 HydrophobicContact CB-CE2 3.72Å; N276-F842 HydrophobicContact CB-CZ 4.02Å; L278-F842 HydrophobicContact CD1-CZ 4.42Å; K816-F842 HydrophobicContact CB-CE1 4.35Å; K816-F842 HydrophobicContact CD-CE1 4.36Å; K816-F842 WeakPolarHBondContact CE-O 3.38Å; K816-F842 HydrophobicContact CG-CD1 3.96Å; K816-F842 HydrophobicContact CG-CE1 3.31Å; K816-F842 HydrophobicContact CG-CZ 3.7Å; K816-F842 PolarHBondContact NZ-O 2.93Å; M819-F842 HydrophobicContact CB-CE1 4.24Å; M838-F842 WeakPolarHBondContact O-CB 3.27Å; M838-F842 PolarHBondContact O-N 2.68Å; A839-F842 PolarHBondContact O-N 3.18Å; F842-N844 VanDerWaalsContact C-N 3.34Å; F842-N844 PolarHBondContact O-N 2.93Å; F842-E845 PolarHBondContact O-N 2.86Å |
| 843 | L | 87.4 | Confident | 86.6 | Confident | 60 Ų | 60 | 72.3 Ų | 72.3 | 31% | 0.314 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -61.3 | -40.3 | 178.9 | -76.8 | 167.8 | 0 | 0 | 0 | 112.6 | K816 A820 A839 A840 A841 | K816-L843 HydrophobicContact CB-CD2 4.48Å; K816-L843 HydrophobicContact CD-CD2 4.31Å; K816-L843 HydrophobicContact CG-CD2 4.09Å; K816-L843 PolarHBondContact NZ-O 2.85Å; A820-L843 HydrophobicContact CB-CD1 3.78Å; A820-L843 HydrophobicContact CB-CD2 4.23Å; A820-L843 HydrophobicContact CB-CG 3.92Å; A839-L843 WeakPolarHBondContact O-CB 3.47Å; A839-L843 WeakPolarHBondContact O-CG 3.38Å; A839-L843 PolarHBondContact O-N 3.04Å; A840-L843 PolarHBondContact O-N 3.07Å; A841-L843 PolarHBondContact O-N 3.25Å |
| 844 | N | 88.8 | Confident | 87.2 | Confident | 147 Ų | 147 | 66 Ų | 66 | 79% | 0.786 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -72.1 | -34.2 | -178.3 | -169.5 | 36 | 0 | 0 | 0 | 113.1 | A840 A841 F842 | A840-N844 VanDerWaalsContact O-CB 3.32Å; A840-N844 WeakPolarHBondContact O-CB 3.44Å; A840-N844 PolarHBondContact O-N 3.34Å; A841-N844 PolarHBondContact O-N 2.83Å; F842-N844 VanDerWaalsContact C-N 3.34Å; F842-N844 PolarHBondContact O-N 2.93Å |
| 845 | E | 86.3 | Confident | 87.7 | Confident | 104 Ų | 104 | 61.4 Ų | 61.4 | 49% | 0.486 | 36% | 0.362 | S | S | . | . | trans | -88.5 | 112.7 | -178 | -169.4 | 172.1 | -168 | 0 | 0 | 111.6 | K816 A841 F842 L847 | K816-E845 PolarHBondContact NZ-O 2.7Å; A841-E845 PolarHBondContact O-N 3.07Å; F842-E845 PolarHBondContact O-N 2.86Å; E845-L847 HydrophobicContact CG-CD2 4.38Å | ||
| 846 | N | 85.5 | Confident | 88.1 | Confident | 115 Ų | 115 | 64 Ų | 64 | 62% | 0.615 | 37% | 0.372 | S | S | * | . | trans | -105.9 | 107.2 | 168.4 | -77.7 | -25.5 | 0 | 0 | 0 | 109 | K816 | K816-N846 PolarHBondContact NZ-OD1 3.29Š| ||
| 847 | L | 89.3 | Confident | 87.9 | Confident | 53 Ų | 53 | 62.1 Ų | 62.1 | 28% | 0.277 | 36% | 0.356 | S | S | . | . | trans | -65 | 136.9 | 178.2 | -66 | 172 | 0 | 0 | 0 | 110.7 | P389 E845 E849 F852 | P389-L847 HydrophobicContact CB-CD1 4.37Å; P389-L847 HydrophobicContact CG-CD1 3.52Å; E845-L847 HydrophobicContact CG-CD2 4.38Å; L847-E849 PolarHBondContact O-N 3.41Å; L847-F852 HydrophobicContact CB-CB 4.39Å; L847-F852 HydrophobicContact CB-CD2 4Å; L847-F852 HydrophobicContact CB-CG 4.25Å; L847-F852 HydrophobicContact CD2-CD2 4.41Å; L847-F852 HydrophobicContact CD2-CE2 4.28Å; L847-F852 HydrophobicContact CD2-CZ 4.5Å | ||
| 848 | P | 93.2 | Very high | 87.7 | Confident | 73 Ų | 73 | 55.8 Ų | 55.8 | 47% | 0.474 | 33% | 0.328 | S | S | . | . | trans | -61.4 | 108.3 | 176.3 | -24.9 | 33.6 | 0 | 0 | 0 | 113 | A850 I851 F852 | P848-A850 PolarHBondContact O-N 2.94Å; P848-A850 VanDerWaalsContact O-N 3.14Å; P848-I851 PolarHBondContact O-N 3.01Å; P848-F852 WeakPolarHBondContact O-CD2 3.42Å; P848-F852 PolarHBondContact O-N 2.93Å | ||
| 849 | E | 93.4 | Very high | 87.8 | Confident | 53 Ų | 53 | 55.4 Ų | 55.4 | 25% | 0.248 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -61.2 | -26.8 | -176.3 | -62.1 | -172.4 | -176.1 | 0 | 0 | 113.9 | P431 K812 L847 I851 G853 | P431-E849 HydrophobicContact CB-CB 3.82Å; P431-E849 HydrophobicContact CG-CB 4.15Å; P431-E849 WeakPolarHBondContact CG-O 3.49Å; K812-E849 IonicContact NZ-OE1 3.81Å; K812-E849 PolarHBondContact NZ-OE1 2.93Å; K812-E849 IonicContact NZ-OE2 2.78Å; K812-E849 PolarHBondContact NZ-OE2 3.32Å; L847-E849 PolarHBondContact O-N 3.41Å; E849-I851 PolarHBondContact O-N 2.91Å; E849-G853 CarbonylContact O-C 3.57Å; E849-G853 VanDerWaalsContact O-C 3.29Å; E849-G853 VanDerWaalsContact O-CA 3.24Å; E849-G853 WeakPolarHBondContact O-CA 3.46Å; E849-G853 PolarHBondContact O-N 2.79Å |
| 850 | A | 91.5 | Very high | 88 | Confident | 48 Ų | 48 | 55.6 Ų | 55.6 | 40% | 0.397 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -65.4 | -25.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113 | R432 P848 | R432-A850 VanDerWaalsContact CD-O 3.27Å; R432-A850 WeakPolarHBondContact CD-O 3.37Å; R432-A850 HydrophobicContact CG-CB 4.35Å; R432-A850 VanDerWaalsContact CG-O 3.22Å; R432-A850 WeakPolarHBondContact CG-O 3.47Å; P848-A850 PolarHBondContact O-N 2.94Å; P848-A850 VanDerWaalsContact O-N 3.14Å |
| 851 | I | 91.8 | Very high | 88.3 | Confident | 85 Ų | 85 | 55.4 Ų | 55.4 | 44% | 0.436 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -103.8 | -49.4 | -179.5 | -61.9 | 175.3 | 0 | 0 | 0 | 110.3 | P848 E849 G853 | P848-I851 PolarHBondContact O-N 3.01Å; E849-I851 PolarHBondContact O-N 2.91Å; I851-G853 VanDerWaalsContact C-N 3.31Å; I851-G853 PolarHBondContact O-N 2.81Å |
| 852 | F | 93.9 | Very high | 88.8 | Confident | 9 Ų | 9 | 53 Ų | 53 | 4% | 0.039 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -85.9 | -1.4 | -174 | -66.7 | -81.8 | 0 | 0 | 0 | 114 | R274 T332 P389 R390 L847 P848 | R274-F852 VanDerWaalsContact CZ-O 3.32Å; R274-F852 PolarHBondContact NH1-O 2.78Å; R274-F852 PolarHBondContact NH2-O 3.28Å; T332-F852 HydrophobicContact CG2-CD1 3.85Å; T332-F852 HydrophobicContact CG2-CE1 4.45Å; P389-F852 HydrophobicContact CB-CD1 3.92Å; P389-F852 HydrophobicContact CB-CE1 4Å; R390-F852 VanDerWaalsContact O-CE1 3.28Å; R390-F852 WeakPolarHBondContact O-CE1 3.32Å; R390-F852 WeakPolarHBondContact O-CZ 3.43Å; L847-F852 HydrophobicContact CB-CB 4.39Å; L847-F852 HydrophobicContact CB-CD2 4Å; L847-F852 HydrophobicContact CB-CG 4.25Å; L847-F852 HydrophobicContact CD2-CD2 4.41Å; L847-F852 HydrophobicContact CD2-CE2 4.28Å; L847-F852 HydrophobicContact CD2-CZ 4.5Å; P848-F852 WeakPolarHBondContact O-CD2 3.42Å; P848-F852 PolarHBondContact O-N 2.93Å |
| 853 | G | 90.9 | Very high | 89.4 | Confident | 32 Ų | 32 | 51.3 Ų | 51.3 | 33% | 0.33 | 30% | 0.304 | S | S | . | . | trans | 82.4 | 153.9 | -173.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | E849 I851 | E849-G853 CarbonylContact O-C 3.57Å; E849-G853 VanDerWaalsContact O-C 3.29Å; E849-G853 VanDerWaalsContact O-CA 3.24Å; E849-G853 WeakPolarHBondContact O-CA 3.46Å; E849-G853 PolarHBondContact O-N 2.79Å; I851-G853 VanDerWaalsContact C-N 3.31Å; I851-G853 PolarHBondContact O-N 2.81Å | ||
| 854 | A | 90.1 | Very high | 89.9 | Confident | 36 Ų | 36 | 48.6 Ų | 48.6 | 30% | 0.298 | 29% | 0.29 | S | S | . | . | P | Polyproline II helix | trans | -85.4 | 138.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | P431 K856 | P431-A854 HydrophobicContact CG-CB 3.94Å; A854-K856 PolarHBondContact O-N 2.84Å |
| 855 | P | 90 | Very high | 90.2 | Very high | 20 Ų | 20 | 41.6 Ų | 41.6 | 13% | 0.13 | 25% | 0.252 | C | S | . | . | P | Polyproline II helix | trans | -59.4 | 134.9 | 173.8 | -24.5 | 33.6 | 0 | 0 | 0 | 112.8 | L278 D279 | L278-P855 HydrophobicContact CB-CB 3.69Å; L278-P855 HydrophobicContact CB-CG 4.01Å; L278-P855 HydrophobicContact CD1-CG 4.32Å; D279-P855 VanDerWaalsContact OD1-CA 3.24Å; D279-P855 WeakPolarHBondContact OD1-CA 3.27Å |
| 856 | K | 88.8 | Confident | 90.8 | Very high | 67 Ų | 67 | 36.6 Ų | 36.6 | 29% | 0.291 | 23% | 0.229 | S | C | . | . | B | Isolated β-bridge | trans | -102.1 | 119.6 | -174.6 | -75.8 | 169.5 | 174.4 | 171.7 | 0 | 112 | D279 D280 N805 A854 G858 | D279-K856 WeakPolarHBondContact CA-O 3.39Å; D279-K856 PolarHBondContact OD1-N 3.04Å; D280-K856 PolarHBondContact N-O 3.36Å; N805-K856 CarbonylContact O-C 3.44Å; N805-K856 WeakPolarHBondContact O-CA 3.42Å; A854-K856 PolarHBondContact O-N 2.84Å; K856-G858 PolarHBondContact O-N 3.47Å |
| 857 | A | 78.8 | Confident | 91.4 | Very high | 5 Ų | 5 | 31.7 Ų | 31.7 | 4% | 0.041 | 20% | 0.202 | C | C | . | . | trans | -83.4 | -1.6 | -163 | 0 | 0 | 0 | 0 | 0 | 117.5 | N805 Y807 Q861 | N805-A857 PolarHBondContact O-N 2.83Å; Y807-A857 HydrophobicContact CD1-CB 3.45Å; Y807-A857 VanDerWaalsContact CD1-CB 3.45Å; Y807-A857 HydrophobicContact CD2-CB 3.76Å; Y807-A857 HydrophobicContact CE1-CB 3.22Å; Y807-A857 VanDerWaalsContact CE2-CA 3.47Å; Y807-A857 HydrophobicContact CE2-CB 3.56Å; Y807-A857 HydrophobicContact CG-CB 3.69Å; Y807-A857 VanDerWaalsContact OH-CA 3.24Å; Y807-A857 WeakPolarHBondContact OH-CA 3.13Å; Y807-A857 PolarHBondContact OH-O 3.49Å; A857-Q861 HydrophobicContact CB-CB 3.54Å; A857-Q861 HydrophobicContact CB-CG 3.94Å; A857-Q861 WeakPolarHBondContact O-CG 3.19Å | ||
| 858 | G | 79.8 | Confident | 91.7 | Very high | 7 Ų | 7 | 29.2 Ų | 29.2 | 7% | 0.072 | 19% | 0.189 | C | C | . | . | trans | 88.4 | 167.7 | -170.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | N805 K856 Q861 | N805-G858 PolarHBondContact OD1-O 3.18Å; K856-G858 PolarHBondContact O-N 3.47Å; G858-Q861 PolarHBondContact O-N 3.1Å | ||
| 859 | A | 83.6 | Confident | 91.8 | Very high | 93 Ų | 93 | 25.9 Ų | 25.9 | 77% | 0.769 | 17% | 0.167 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | 135.4 | -172.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | N805 Q861 | N805-A859 WeakPolarHBondContact OD1-CA 3.39Å; A859-Q861 VanDerWaalsContact C-N 3.31Å; A859-Q861 PolarHBondContact O-N 3.12Å |
| 860 | G | 86.5 | Confident | 91.8 | Very high | 10 Ų | 10 | 25 Ų | 25 | 10% | 0.103 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 85.1 | -2.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 861 | Q | 93.6 | Very high | 91.8 | Very high | 54 Ų | 54 | 22.9 Ų | 22.9 | 25% | 0.252 | 15% | 0.146 | S | C | . | . | trans | -84.3 | 139.6 | 174 | -62.8 | -65.2 | -37.8 | 0 | 0 | 111.7 | N805 A857 G858 A859 N885 | N805-Q861 WeakPolarHBondContact CA-O 3.29Å; N805-Q861 PolarHBondContact N-O 2.85Å; A857-Q861 HydrophobicContact CB-CB 3.54Å; A857-Q861 HydrophobicContact CB-CG 3.94Å; A857-Q861 WeakPolarHBondContact O-CG 3.19Å; G858-Q861 PolarHBondContact O-N 3.1Å; A859-Q861 VanDerWaalsContact C-N 3.31Å; A859-Q861 PolarHBondContact O-N 3.12Å; Q861-N885 VanDerWaalsContact CA-OD1 3.3Å; Q861-N885 WeakPolarHBondContact CA-OD1 3.48Å; Q861-N885 PolarHBondContact OE1-OD1 3.04Å | ||
| 862 | W | 96.3 | Very high | 91.6 | Very high | 7 Ų | 7 | 23.6 Ų | 23.6 | 3% | 0.027 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 144.7 | 178.4 | -64.7 | 82.2 | 0 | 0 | 0 | 112.7 | T802 D803 H804 A806 Q884 N885 A887 F889 M913 L915 | T802-W862 HydrophobicContact CG2-CE3 3.72Å; T802-W862 HydrophobicContact CG2-CZ3 3.96Å; D803-W862 WeakPolarHBondContact O-CA 3.42Å; H804-W862 HydrophobicContact CB-CD2 4.29Å; H804-W862 HydrophobicContact CB-CE3 3.96Å; H804-W862 HydrophobicContact CB-CH2 3.72Å; H804-W862 HydrophobicContact CB-CZ2 4.06Å; H804-W862 HydrophobicContact CB-CZ3 3.66Å; H804-W862 AromaticContact CD2-CE2 3.48Å; H804-W862 VanDerWaalsContact CD2-CE2 3.48Å; H804-W862 AromaticContact CD2-CH2 3.98Å; H804-W862 AromaticContact CD2-CZ2 3.4Å; H804-W862 VanDerWaalsContact CD2-CZ2 3.4Å; H804-W862 WeakPolarHBondContact CD2-CZ2 3.01Å; H804-W862 AromaticContact CD2-NE1 3.74Å; A806-W862 CarbonylContact O-C 3.54Å; W862-Q884 PolarHBondContact O-NE2 3.18Å; W862-Q884 VanDerWaalsContact O-NE2 3.12Å; W862-N885 PolarHBondContact N-OD1 3.35Å; W862-N885 PolarHBondContact O-N 2.61Å; W862-A887 HydrophobicContact CB-CB 4.03Å; W862-A887 HydrophobicContact CD2-CB 3.74Å; W862-A887 HydrophobicContact CE3-CB 3.7Å; W862-A887 HydrophobicContact CG-CB 3.92Å; W862-A887 HydrophobicContact CZ3-CB 4.39Å; W862-F889 AromaticContact CH2-CZ 3.97Å; W862-F889 HydrophobicContact CH2-CZ 3.97Å; W862-F889 HydrophobicContact CZ3-CZ 4.06Å; W862-M913 HydrophobicContact CZ2-CB 4.41Å; W862-M913 HydrophobicContact CZ2-CG 4.39Å; W862-M913 HydrophobicContact CZ2-SD 4.24Å; W862-M913 PolarHBondContact NE1-O 3.49Å; W862-L915 HydrophobicContact CH2-CD1 4.07Å; W862-L915 HydrophobicContact CH2-CD2 4.48Å; W862-L915 HydrophobicContact CH2-CG 4.42Å; W862-L915 HydrophobicContact CZ2-CD1 4.02Å; W862-L915 HydrophobicContact CZ2-CD2 4.34Å; W862-L915 HydrophobicContact CZ2-CG 4.02Å |
| 863 | A | 97.3 | Very high | 91.2 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 136.5 | 168.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | Y783 T802 D803 A806 Y807 T808 | Y783-A863 HydrophobicContact CE1-CB 3.93Å; Y783-A863 HydrophobicContact CE2-CB 4.07Å; T802-A863 WeakPolarHBondContact CA-O 3.46Å; D803-A863 PolarHBondContact N-O 3.04Å; D803-A863 PolarHBondContact O-N 2.8Å; D803-A863 VanDerWaalsContact O-N 3.1Å; A806-A863 HydrophobicContact CB-CB 3.79Å; Y807-A863 WeakPolarHBondContact O-CB 3.39Å; T808-A863 HydrophobicContact CG2-CB 4.06Å |
| 864 | S | 97.8 | Very high | 91.1 | Very high | 2 Ų | 2 | 29.4 Ų | 29.4 | 1% | 0.014 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.2 | 151.8 | -179.5 | -166.8 | 0 | 0 | 0 | 0 | 112.6 | E801 T802 L882 E886 A888 | E801-S864 CarbonylContact O-C 3.01Å; E801-S864 WeakPolarHBondContact O-CA 3.26Å; E801-S864 WeakPolarHBondContact O-CB 3.37Å; E801-S864 PolarHBondContact O-OG 2.97Å; T802-S864 PolarHBondContact OG1-OG 3.21Å; S864-L882 WeakPolarHBondContact O-CB 3.21Å; S864-L882 PolarHBondContact O-N 3.43Å; S864-E886 WeakPolarHBondContact CB-O 3.32Å; S864-A888 WeakPolarHBondContact OG-CB 3.37Å; S864-A888 PolarHBondContact OG-N 3.07Å; S864-A888 VanDerWaalsContact OG-N 3.16Å |
| 865 | L | 96.9 | Very high | 91.2 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 159.5 | 177 | 71 | 82.5 | 0 | 0 | 0 | 111.5 | Q782 Y783 E801 R867 V880 | Q782-L865 HydrophobicContact CB-CD2 3.94Å; Q782-L865 VanDerWaalsContact OE1-CD2 3.3Å; Y783-L865 HydrophobicContact CD2-CD2 3.59Å; Y783-L865 HydrophobicContact CD2-CG 4.05Å; Y783-L865 HydrophobicContact CE2-CD2 3.83Å; Y783-L865 HydrophobicContact CE2-CG 4.47Å; E801-L865 HydrophobicContact CB-CD1 4.11Å; E801-L865 HydrophobicContact CB-CG 3.98Å; E801-L865 VanDerWaalsContact CD-CD1 3.49Å; E801-L865 HydrophobicContact CG-CD1 3.8Å; E801-L865 HydrophobicContact CG-CG 4.22Å; E801-L865 PolarHBondContact N-O 2.77Å; E801-L865 PolarHBondContact O-N 2.77Å; E801-L865 WeakPolarHBondContact OE1-CD1 3.33Å; L865-R867 HydrophobicContact CD1-CB 3.78Å; L865-V880 WeakPolarHBondContact CA-O 3.36Å |
| 866 | V | 97.8 | Very high | 91.5 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 127.7 | 169.8 | -171.7 | 0 | 0 | 0 | 0 | 108 | I798 L799 I800 V880 V907 L937 | I798-V866 HydrophobicContact CG2-CG1 4.04Å; L799-V866 WeakPolarHBondContact O-CA 3.48Å; I800-V866 HydrophobicContact CG2-CG2 4.3Å; V866-V880 HydrophobicContact CB-CB 4.35Å; V866-V880 PolarHBondContact N-O 2.92Å; V866-V880 PolarHBondContact O-N 3.15Å; V866-V907 HydrophobicContact CG1-CG2 4.45Å; V866-V907 HydrophobicContact CG2-CG1 4.22Å; V866-V907 HydrophobicContact CG2-CG2 4.08Å; V866-L937 HydrophobicContact CG1-CD1 3.92Å |
| 867 | R | 97.2 | Very high | 91.7 | Very high | 11 Ų | 11 | 31.3 Ų | 31.3 | 4% | 0.042 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 136.3 | -178.2 | -167.8 | -174.8 | -68.7 | -74.7 | -10.8 | 110.8 | Q782 I798 L799 E801 L865 V869 T876 | Q782-R867 VanDerWaalsContact CD-NH2 3.27Å; I798-R867 CarbonylContact C-O 3.55Å; I798-R867 WeakPolarHBondContact CA-O 3.33Å; L799-R867 PolarHBondContact N-O 3.22Å; L799-R867 PolarHBondContact O-N 3.4Å; E801-R867 IonicContact OE1-CZ 3.59Å; E801-R867 IonicContact OE1-NE 3.23Å; E801-R867 PolarHBondContact OE1-NE 3.42Å; E801-R867 IonicContact OE1-NH2 3.57Å; L865-R867 HydrophobicContact CD1-CB 3.78Å; R867-V869 HydrophobicContact CB-CG2 4.49Å; R867-V869 VanDerWaalsContact CD-CG2 3.42Å; R867-V869 HydrophobicContact CG-CG2 3.6Å; R867-T876 HydrophobicContact CG-CG2 3.77Å; R867-T876 PolarHBondContact NH1-OG1 2.77Å |
| 868 | L | 96.4 | Very high | 92.6 | Very high | 1 Ų | 1 | 32.6 Ų | 32.6 | 1% | 0.005 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 122.9 | 170.8 | -177.8 | 70.5 | 0 | 0 | 0 | 108.8 | N796 L797 I798 L877 D878 L930 G934 E935 | N796-L868 HydrophobicContact CB-CD1 4.11Å; L797-L868 CarbonylContact O-C 3.58Å; L797-L868 WeakPolarHBondContact O-CA 3.48Å; I798-L868 HydrophobicContact CD1-CD1 4.27Å; I798-L868 HydrophobicContact CG1-CD1 3.41Å; I798-L868 VanDerWaalsContact CG1-CD1 3.41Å; L868-L877 HydrophobicContact CB-CB 4.48Å; L868-L877 HydrophobicContact CD2-CB 4.08Å; L868-L877 HydrophobicContact CD2-CD1 4.44Å; L868-L877 HydrophobicContact CG-CB 4.11Å; L868-L877 HydrophobicContact CG-CD1 4.27Å; L868-L877 PolarHBondContact O-N 3.48Å; L868-D878 HydrophobicContact CB-CB 4.07Å; L868-D878 HydrophobicContact CD2-CB 4.18Å; L868-D878 PolarHBondContact N-O 2.79Å; L868-D878 PolarHBondContact O-N 2.86Å; L868-L930 HydrophobicContact CD2-CD1 4.36Å; L868-G934 WeakPolarHBondContact CD2-O 3.26Å; L868-E935 WeakPolarHBondContact CD2-O 3.25Å |
| 869 | V | 95.4 | Very high | 93.3 | Very high | 4 Ų | 4 | 35.1 Ų | 35.1 | 2% | 0.024 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 138.7 | -171.6 | -179 | 0 | 0 | 0 | 0 | 110.7 | L435 L797 L799 R867 P871 | L435-V869 HydrophobicContact CD2-CG1 4.32Å; L797-V869 PolarHBondContact N-O 2.88Å; L797-V869 PolarHBondContact O-N 2.78Å; L799-V869 HydrophobicContact CD1-CB 3.9Å; L799-V869 HydrophobicContact CD1-CG2 3.53Å; R867-V869 HydrophobicContact CB-CG2 4.49Å; R867-V869 VanDerWaalsContact CD-CG2 3.42Å; R867-V869 HydrophobicContact CG-CG2 3.6Å; V869-P871 WeakPolarHBondContact O-CD 3.45Å |
| 870 | N | 94.1 | Very high | 94 | Very high | 33 Ų | 33 | 32.1 Ų | 32.1 | 18% | 0.176 | 18% | 0.175 | C | C | . | . | trans | -82 | 115.5 | 165.2 | -178.4 | -25.8 | 0 | 0 | 0 | 109.3 | I872 G874 S875 L877 | N870-I872 VanDerWaalsContact C-N 3.26Å; N870-I872 PolarHBondContact O-N 2.69Å; N870-I872 WeakPolarHBondContact OD1-CB 3.34Å; N870-I872 PolarHBondContact OD1-N 2.68Å; N870-G874 WeakPolarHBondContact O-CA 3.46Å; N870-G874 PolarHBondContact O-N 3.35Å; N870-S875 PolarHBondContact N-O 3.14Å; N870-S875 VanDerWaalsContact N-O 3.08Å; N870-L877 HydrophobicContact CB-CD1 4.27Å; N870-L877 HydrophobicContact CB-CD2 4.46Å; N870-L877 HydrophobicContact CB-CG 4.38Å | ||
| 871 | P | 90.8 | Very high | 94.4 | Very high | 4 Ų | 4 | 36.1 Ų | 36.1 | 3% | 0.026 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | -16.2 | -175.3 | 28 | -35 | 0 | 0 | 0 | 114.9 | L415 Y424 N795 L797 V869 | L415-P871 HydrophobicContact CB-CG 4.38Å; L415-P871 HydrophobicContact CD1-CB 4.15Å; L415-P871 HydrophobicContact CD1-CG 3.87Å; Y424-P871 HydrophobicContact CD1-CB 4.1Å; Y424-P871 HydrophobicContact CE1-CB 3.56Å; N795-P871 VanDerWaalsContact O-CG 3.27Å; N795-P871 WeakPolarHBondContact O-CG 3.17Å; L797-P871 HydrophobicContact CD1-CB 3.91Å; L797-P871 HydrophobicContact CG-CB 4.08Å; L797-P871 HydrophobicContact CG-CG 4.25Å; V869-P871 WeakPolarHBondContact O-CD 3.45Å |
| 872 | I | 86.9 | Confident | 94.6 | Very high | 101 Ų | 101 | 34 Ų | 34 | 52% | 0.518 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82 | -48.7 | -178.9 | -58.3 | 178.7 | 0 | 0 | 0 | 110 | N870 | N870-I872 VanDerWaalsContact C-N 3.26Å; N870-I872 PolarHBondContact O-N 2.69Å; N870-I872 WeakPolarHBondContact OD1-CB 3.34Å; N870-I872 PolarHBondContact OD1-N 2.68Å |
| 873 | Q | 87.3 | Confident | 94.6 | Very high | 144 Ų | 144 | 39.6 Ų | 39.6 | 67% | 0.673 | 21% | 0.207 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -92.9 | -21.9 | -176.7 | -66.2 | 180 | -8.7 | 0 | 0 | 113.4 | S875 | Q873-S875 PolarHBondContact O-N 2.72Š|
| 874 | G | 87.9 | Confident | 94.5 | Very high | 18 Ų | 18 | 41.8 Ų | 41.8 | 19% | 0.186 | 22% | 0.218 | C | C | . | . | trans | 77.1 | 3.6 | -172.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | F779 N870 | F779-G874 VanDerWaalsContact CD1-CA 3.42Å; N870-G874 WeakPolarHBondContact O-CA 3.46Å; N870-G874 PolarHBondContact O-N 3.35Å | ||
| 875 | S | 93.1 | Very high | 94.4 | Very high | 44 Ų | 44 | 42.9 Ų | 42.9 | 31% | 0.308 | 22% | 0.224 | S | C | . | . | trans | -71.7 | 134.1 | 179.2 | 60.7 | 0 | 0 | 0 | 0 | 111.2 | N870 Q873 L877 | N870-S875 PolarHBondContact N-O 3.14Å; N870-S875 VanDerWaalsContact N-O 3.08Å; Q873-S875 PolarHBondContact O-N 2.72Å; S875-L877 PolarHBondContact O-N 2.95Å | ||
| 876 | T | 94.8 | Very high | 94.4 | Very high | 62 Ų | 62 | 43.1 Ų | 43.1 | 38% | 0.38 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 121.1 | 167.6 | -64.1 | 0 | 0 | 0 | 0 | 109.2 | R867 D878 Q879 | R867-T876 HydrophobicContact CG-CG2 3.77Å; R867-T876 PolarHBondContact NH1-OG1 2.77Å; T876-D878 WeakPolarHBondContact CG2-O 3.5Å; T876-Q879 HydrophobicContact CG2-CB 4.26Å |
| 877 | L | 94.5 | Very high | 94.4 | Very high | 57 Ų | 57 | 43.1 Ų | 43.1 | 30% | 0.298 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | -42.9 | 177.8 | -60.9 | 174.8 | 0 | 0 | 0 | 111.5 | N796 L868 N870 S875 E935 | N796-L877 HydrophobicContact CB-CD1 4.44Å; N796-L877 WeakPolarHBondContact ND2-CD1 3.23Å; L868-L877 HydrophobicContact CB-CB 4.48Å; L868-L877 HydrophobicContact CD2-CB 4.08Å; L868-L877 HydrophobicContact CD2-CD1 4.44Å; L868-L877 HydrophobicContact CG-CB 4.11Å; L868-L877 HydrophobicContact CG-CD1 4.27Å; L868-L877 PolarHBondContact O-N 3.48Å; N870-L877 HydrophobicContact CB-CD1 4.27Å; N870-L877 HydrophobicContact CB-CD2 4.46Å; N870-L877 HydrophobicContact CB-CG 4.38Å; S875-L877 PolarHBondContact O-N 2.95Å; L877-E935 HydrophobicContact CD1-CG 4.49Å |
| 878 | D | 96.4 | Very high | 94.4 | Very high | 33 Ų | 33 | 42.6 Ų | 42.6 | 18% | 0.176 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148 | 151.6 | 177.8 | -161.5 | 11.1 | 0 | 0 | 0 | 111 | L868 T876 L937 | L868-D878 HydrophobicContact CB-CB 4.07Å; L868-D878 HydrophobicContact CD2-CB 4.18Å; L868-D878 PolarHBondContact N-O 2.79Å; L868-D878 PolarHBondContact O-N 2.86Å; T876-D878 WeakPolarHBondContact CG2-O 3.5Å; D878-L937 PolarHBondContact OD2-N 3.5Å |
| 879 | Q | 95.4 | Very high | 94.5 | Very high | 60 Ų | 60 | 44.5 Ų | 44.5 | 28% | 0.28 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 124.1 | -179.6 | -179.7 | 173.8 | -22.7 | 0 | 0 | 110.3 | T876 | T876-Q879 HydrophobicContact CG2-CB 4.26Å |
| 880 | V | 96.9 | Very high | 94.6 | Very high | 30 Ų | 30 | 44.5 Ų | 44.5 | 18% | 0.182 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 111.2 | 178 | -175.1 | 0 | 0 | 0 | 0 | 109.1 | L865 V866 Y928 L937 | L865-V880 WeakPolarHBondContact CA-O 3.36Å; V866-V880 HydrophobicContact CB-CB 4.35Å; V866-V880 PolarHBondContact N-O 2.92Å; V866-V880 PolarHBondContact O-N 3.15Å; V880-Y928 HydrophobicContact CG1-CE1 4.16Å; V880-Y928 HydrophobicContact CG2-CE1 4.43Å; V880-L937 HydrophobicContact CG2-CB 4.3Å; V880-L937 HydrophobicContact CG2-CD1 4.26Å |
| 881 | Q | 96.6 | Very high | 94.7 | Very high | 93 Ų | 93 | 43 Ų | 43 | 44% | 0.435 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 133.9 | 174 | -64.4 | -176.9 | -5.5 | 0 | 0 | 110 | ||
| 882 | L | 96.6 | Very high | 95 | Very high | 10 Ų | 10 | 43.2 Ų | 43.2 | 5% | 0.052 | 23% | 0.225 | C | C | . | . | P | Polyproline II helix | trans | -88.4 | 166.4 | 174.3 | -58.7 | -176.9 | 0 | 0 | 0 | 111 | S864 E886 A888 V909 Y926 | S864-L882 WeakPolarHBondContact O-CB 3.21Å; S864-L882 PolarHBondContact O-N 3.43Å; L882-E886 HydrophobicContact CB-CB 4.21Å; L882-A888 HydrophobicContact CD1-CB 4.14Å; L882-V909 HydrophobicContact CD1-CG2 3.96Å; L882-Y926 HydrophobicContact CD2-CE2 4.48Å |
| 883 | E | 96.1 | Very high | 95.4 | Very high | 124 Ų | 124 | 39.4 Ų | 39.4 | 58% | 0.579 | 21% | 0.206 | S | C | * | . | P | Polyproline II helix | trans | -68.1 | 160.2 | 176.8 | -67.2 | 175.9 | -165.2 | 0 | 0 | 111.5 | N885 E886 | E883-N885 PolarHBondContact O-N 3.23Å; E883-E886 HydrophobicContact CB-CG 4.07Å; E883-E886 WeakPolarHBondContact O-CB 3.28Å; E883-E886 PolarHBondContact O-N 3.32Å |
| 884 | Q | 95.5 | Very high | 95.7 | Very high | 46 Ų | 46 | 32.8 Ų | 32.8 | 22% | 0.215 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | 139 | 172.7 | -173.5 | 63.7 | 44.5 | 0 | 0 | 109.9 | A806 T811 W862 E886 | A806-Q884 PolarHBondContact O-NE2 3.21Å; T811-Q884 PolarHBondContact OG1-OE1 2.96Å; W862-Q884 PolarHBondContact O-NE2 3.18Å; W862-Q884 VanDerWaalsContact O-NE2 3.12Å; Q884-E886 PolarHBondContact O-N 3.16Å |
| 885 | N | 95.4 | Very high | 96 | Very high | 26 Ų | 26 | 35.6 Ų | 35.6 | 14% | 0.139 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 66.9 | 15.1 | -175.9 | -59.5 | -11.2 | 0 | 0 | 0 | 115.4 | Q861 W862 E883 R911 D912 | Q861-N885 VanDerWaalsContact CA-OD1 3.3Å; Q861-N885 WeakPolarHBondContact CA-OD1 3.48Å; Q861-N885 PolarHBondContact OE1-OD1 3.04Å; W862-N885 PolarHBondContact N-OD1 3.35Å; W862-N885 PolarHBondContact O-N 2.61Å; E883-N885 PolarHBondContact O-N 3.23Å; N885-R911 WeakPolarHBondContact O-CA 3.16Å; N885-D912 WeakPolarHBondContact CB-OD1 3.35Å; N885-D912 PolarHBondContact ND2-OD1 3.39Å; N885-D912 PolarHBondContact O-N 3.5Å; N885-D912 VanDerWaalsContact O-N 3.17Å |
| 886 | E | 97.2 | Very high | 96 | Very high | 4 Ų | 4 | 33.6 Ų | 33.6 | 2% | 0.019 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 119.9 | 166.7 | -65.8 | -157.3 | 154.9 | 0 | 0 | 111 | S864 L882 E883 Q884 V909 A910 F924 Y926 K942 | S864-E886 WeakPolarHBondContact CB-O 3.32Å; L882-E886 HydrophobicContact CB-CB 4.21Å; E883-E886 HydrophobicContact CB-CG 4.07Å; E883-E886 WeakPolarHBondContact O-CB 3.28Å; E883-E886 PolarHBondContact O-N 3.32Å; Q884-E886 PolarHBondContact O-N 3.16Å; E886-V909 HydrophobicContact CB-CG1 3.67Å; E886-V909 HydrophobicContact CG-CG1 4.28Å; E886-A910 WeakPolarHBondContact CA-O 3.39Å; E886-F924 VanDerWaalsContact OE1-CD2 3.29Å; E886-F924 WeakPolarHBondContact OE1-CD2 3.33Å; E886-F924 WeakPolarHBondContact OE1-CE2 3.49Å; E886-Y926 PolarHBondContact OE2-OH 3.21Å; E886-K942 WeakPolarHBondContact OE1-CE 3.4Å; E886-K942 IonicContact OE1-NZ 3.68Å; E886-K942 PolarHBondContact OE1-NZ 2.76Å; E886-K942 IonicContact OE2-NZ 2.62Å; E886-K942 PolarHBondContact OE2-NZ 3.25Å |
| 887 | A | 97.5 | Very high | 95.7 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 113.7 | -173.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | T802 W862 F889 V909 A910 | T802-A887 HydrophobicContact CG2-CB 3.65Å; W862-A887 HydrophobicContact CB-CB 4.03Å; W862-A887 HydrophobicContact CD2-CB 3.74Å; W862-A887 HydrophobicContact CE3-CB 3.7Å; W862-A887 HydrophobicContact CG-CB 3.92Å; W862-A887 HydrophobicContact CZ3-CB 4.39Å; A887-F889 HydrophobicContact CB-CD2 4.4Å; A887-F889 HydrophobicContact CB-CE2 3.56Å; A887-F889 HydrophobicContact CB-CZ 3.94Å; A887-F889 WeakPolarHBondContact O-CD2 3.23Å; A887-F889 WeakPolarHBondContact O-CE2 3.47Å; A887-V909 CarbonylContact O-C 3.56Å; A887-V909 VanDerWaalsContact O-CA 3.28Å; A887-V909 WeakPolarHBondContact O-CA 3.3Å; A887-A910 PolarHBondContact N-O 2.91Å; A887-A910 PolarHBondContact O-N 3.35Å |
| 888 | A | 98.1 | Very high | 95.1 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 133 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | I800 T802 S864 L882 V907 G908 V909 | I800-A888 HydrophobicContact CB-CB 4.06Å; I800-A888 HydrophobicContact CD1-CB 4.34Å; I800-A888 HydrophobicContact CG2-CB 4.06Å; T802-A888 PolarHBondContact OG1-N 2.71Å; T802-A888 PolarHBondContact OG1-O 3.37Å; S864-A888 WeakPolarHBondContact OG-CB 3.37Å; S864-A888 PolarHBondContact OG-N 3.07Å; S864-A888 VanDerWaalsContact OG-N 3.16Å; L882-A888 HydrophobicContact CD1-CB 4.14Å; A888-V907 HydrophobicContact CB-CG1 3.76Å; A888-G908 WeakPolarHBondContact CA-O 3.43Å; A888-V909 HydrophobicContact CB-CG2 4.24Å |
| 889 | F | 97.1 | Very high | 94.2 | Very high | 42 Ų | 42 | 37.9 Ų | 37.9 | 18% | 0.184 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | -20.8 | 179.6 | -69.5 | -77.7 | 0 | 0 | 0 | 113.8 | I800 W862 A887 G908 A910 M913 V948 L950 | I800-F889 VanDerWaalsContact CD1-C 3.48Å; W862-F889 AromaticContact CH2-CZ 3.97Å; W862-F889 HydrophobicContact CH2-CZ 3.97Å; W862-F889 HydrophobicContact CZ3-CZ 4.06Å; A887-F889 HydrophobicContact CB-CD2 4.4Å; A887-F889 HydrophobicContact CB-CE2 3.56Å; A887-F889 HydrophobicContact CB-CZ 3.94Å; A887-F889 WeakPolarHBondContact O-CD2 3.23Å; A887-F889 WeakPolarHBondContact O-CE2 3.47Å; F889-G908 PolarHBondContact N-O 2.87Å; F889-A910 HydrophobicContact CD2-CB 4.02Å; F889-A910 HydrophobicContact CE2-CB 3.66Å; F889-M913 HydrophobicContact CE2-SD 3.82Å; F889-M913 HydrophobicContact CZ-SD 3.71Å; F889-V948 HydrophobicContact CD2-CG2 3.79Å; F889-V948 HydrophobicContact CE2-CG2 4.36Å; F889-V948 HydrophobicContact CG-CG2 4.46Å; F889-L950 HydrophobicContact CB-CD2 3.53Å; F889-L950 HydrophobicContact CD1-CD2 4.12Å; F889-L950 HydrophobicContact CD2-CD2 4.22Å; F889-L950 HydrophobicContact CG-CD2 3.7Å |
| 890 | S | 97.4 | Very high | 93.6 | Very high | 4 Ų | 4 | 37.1 Ų | 37.1 | 3% | 0.028 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 145.3 | 179.8 | 63.5 | 0 | 0 | 0 | 0 | 111.9 | V907 G908 P949 L950 I952 | S890-V907 CarbonylContact O-C 3.56Å; S890-V907 WeakPolarHBondContact O-CA 3.31Å; S890-G908 PolarHBondContact N-O 3.01Å; S890-G908 PolarHBondContact O-N 3.41Å; S890-G908 WeakPolarHBondContact OG-CA 3.4Å; S890-P949 PolarHBondContact OG-O 3.31Å; S890-L950 WeakPolarHBondContact CB-O 3.43Å; S890-I952 VanDerWaalsContact OG-CD1 3.31Å; S890-I952 WeakPolarHBondContact OG-CD1 3.3Å; S890-I952 WeakPolarHBondContact OG-CG1 3.47Å |
| 891 | V | 97.6 | Very high | 93 | Very high | 2 Ų | 2 | 41.6 Ų | 41.6 | 1% | 0.012 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 140.9 | 175.9 | 63.3 | 0 | 0 | 0 | 0 | 110.2 | K787 V789 I798 I800 V905 L906 V907 | K787-V891 HydrophobicContact CB-CG1 4.34Å; K787-V891 HydrophobicContact CG-CG1 4.42Å; V789-V891 HydrophobicContact CG1-CG1 4.27Å; V789-V891 HydrophobicContact CG2-CG1 4.34Å; V789-V891 HydrophobicContact CG2-CG2 4.16Å; I798-V891 HydrophobicContact CG2-CG2 3.96Å; I800-V891 HydrophobicContact CD1-CB 4.34Å; I800-V891 HydrophobicContact CD1-CG1 4.18Å; I800-V891 HydrophobicContact CG1-CB 4.37Å; I800-V891 HydrophobicContact CG1-CG1 3.95Å; I800-V891 HydrophobicContact CG2-CB 3.92Å; I800-V891 HydrophobicContact CG2-CG1 4.24Å; I800-V891 HydrophobicContact CG2-CG2 4.36Å; V891-V905 HydrophobicContact CG2-CG1 4.01Å; V891-L906 VanDerWaalsContact CA-O 3.3Å; V891-L906 WeakPolarHBondContact CA-O 3.29Å; V891-V907 HydrophobicContact CG2-CG2 4.15Å |
| 892 | A | 96.8 | Very high | 92.7 | Very high | 7 Ų | 7 | 40.6 Ų | 40.6 | 6% | 0.058 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 150.1 | 174 | 0 | 0 | 0 | 0 | 0 | 111.3 | L906 I952 | A892-L906 PolarHBondContact N-O 3.03Å; A892-L906 PolarHBondContact O-N 3.4Å; A892-I952 HydrophobicContact CB-CB 4.1Å; A892-I952 HydrophobicContact CB-CG2 3.63Å |
| 893 | V | 95.7 | Very high | 92.6 | Very high | 21 Ų | 21 | 42.1 Ų | 42.1 | 13% | 0.127 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 130 | 173.6 | 175.1 | 0 | 0 | 0 | 0 | 108.4 | V789 I798 W903 Y904 V905 | V789-V893 HydrophobicContact CG2-CB 4.5Å; V789-V893 HydrophobicContact CG2-CG2 3.58Å; I798-V893 HydrophobicContact CD1-CG2 3.34Å; V893-W903 HydrophobicContact CG1-CD2 4.27Å; V893-W903 HydrophobicContact CG1-CE3 3.49Å; V893-W903 VanDerWaalsContact CG1-CE3 3.49Å; V893-W903 HydrophobicContact CG1-CZ3 3.94Å; V893-Y904 WeakPolarHBondContact CA-O 3.4Å; V893-V905 HydrophobicContact CG2-CG2 4.23Å |
| 894 | C | 93.8 | Very high | 92.5 | Very high | 6 Ų | 6 | 37 Ų | 37 | 4% | 0.041 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.9 | 165.8 | 179.2 | 66.6 | 0 | 0 | 0 | 0 | 113.2 | Y904 L906 P954 I959 | C894-Y904 PolarHBondContact N-O 2.92Å; C894-Y904 PolarHBondContact O-N 3.41Å; C894-L906 WeakPolarHBondContact SG-CD1 3.41Å; C894-P954 HydrophobicContact CB-CB 3.87Å; C894-I959 VanDerWaalsContact SG-CG2 3.55Å |
| 895 | R | 92.9 | Very high | 92.6 | Very high | 77 Ų | 77 | 34.8 Ų | 34.8 | 29% | 0.291 | 20% | 0.195 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 149 | 168.6 | -62.9 | -173.1 | -179.3 | 177 | 2.9 | 110.7 | E793 D901 W903 | E793-R895 IonicContact OE1-CZ 3.22Å; E793-R895 IonicContact OE1-NH2 3.85Å; E793-R895 PolarHBondContact OE1-NH2 3.48Å; E793-R895 IonicContact OE2-NH2 2.77Å; E793-R895 PolarHBondContact OE2-NH2 3.23Å; R895-D901 PolarHBondContact NE-O 3.32Å; R895-D901 IonicContact NH1-OD1 2.82Å; R895-D901 PolarHBondContact NH1-OD1 3.3Å; R895-D901 VanDerWaalsContact NH1-OD1 3.14Å; R895-W903 HydrophobicContact CG-CD2 3.86Å; R895-W903 HydrophobicContact CG-CE3 3.64Å; R895-W903 HydrophobicContact CG-CG 4.47Å; R895-W903 HydrophobicContact CG-CH2 4.3Å; R895-W903 HydrophobicContact CG-CZ2 4.5Å; R895-W903 HydrophobicContact CG-CZ3 3.89Å |
| 896 | F | 92.8 | Very high | 92.7 | Very high | 1 Ų | 1 | 33.5 Ų | 33.5 | 0% | 0.004 | 19% | 0.188 | C | C | . | . | trans | -113.5 | 129.3 | 172.2 | -67 | -89.7 | 0 | 0 | 0 | 110.4 | N898 T899 Y904 L906 I959 M972 | F896-N898 VanDerWaalsContact CB-OD1 3.22Å; F896-N898 WeakPolarHBondContact CB-OD1 3.49Å; F896-N898 PolarHBondContact O-N 3.47Å; F896-T899 PolarHBondContact O-N 3.03Å; F896-T899 PolarHBondContact O-OG1 3.09Å; F896-Y904 AromaticContact CD2-CD2 3.77Å; F896-Y904 HydrophobicContact CD2-CD2 3.77Å; F896-Y904 HydrophobicContact CD2-CE2 4.38Å; F896-Y904 HydrophobicContact CD2-CG 4.16Å; F896-Y904 HydrophobicContact CE2-CD2 4.36Å; F896-Y904 HydrophobicContact CE2-CG 4.32Å; F896-L906 HydrophobicContact CE2-CD1 4.12Å; F896-L906 HydrophobicContact CZ-CD1 4.34Å; F896-L906 HydrophobicContact CZ-CD2 4.35Å; F896-I959 HydrophobicContact CE1-CG1 4.08Å; F896-I959 HydrophobicContact CE1-CG2 3.95Å; F896-I959 HydrophobicContact CZ-CB 4.45Å; F896-I959 HydrophobicContact CZ-CD1 4.48Å; F896-I959 HydrophobicContact CZ-CG1 4.05Å; F896-I959 HydrophobicContact CZ-CG2 3.6Å; F896-M972 HydrophobicContact CB-CB 4.01Å; F896-M972 HydrophobicContact CD1-CB 3.69Å; F896-M972 HydrophobicContact CD2-CB 3.93Å; F896-M972 HydrophobicContact CD2-CE 3.44Å; F896-M972 VanDerWaalsContact CD2-CE 3.44Å; F896-M972 HydrophobicContact CD2-CG 4.38Å; F896-M972 HydrophobicContact CE1-CB 4.06Å; F896-M972 HydrophobicContact CE2-CB 4.29Å; F896-M972 HydrophobicContact CE2-CE 3.24Å; F896-M972 HydrophobicContact CG-CB 3.6Å; F896-M972 HydrophobicContact CG-CE 4.32Å; F896-M972 HydrophobicContact CG-CG 4.43Å; F896-M972 HydrophobicContact CZ-CB 4.35Å; F896-M972 HydrophobicContact CZ-CE 3.98Å | ||
| 897 | P | 88.4 | Confident | 92.8 | Very high | 105 Ų | 105 | 33.4 Ų | 33.4 | 68% | 0.682 | 19% | 0.187 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | -19.9 | 179.3 | -25.1 | 34 | 0 | 0 | 0 | 114.6 | G957 | P897-G957 VanDerWaalsContact CD-CA 3.49Å; P897-G957 WeakPolarHBondContact CD-O 3.22Å |
| 898 | N | 82.4 | Confident | 92.8 | Very high | 82 Ų | 82 | 33.4 Ų | 33.4 | 44% | 0.439 | 19% | 0.187 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87 | -10 | -176 | 61.2 | 5.8 | 0 | 0 | 0 | 114.1 | F896 D971 M972 | F896-N898 VanDerWaalsContact CB-OD1 3.22Å; F896-N898 WeakPolarHBondContact CB-OD1 3.49Å; F896-N898 PolarHBondContact O-N 3.47Å; N898-D971 PolarHBondContact ND2-OD1 2.75Å; N898-M972 PolarHBondContact ND2-O 2.88Å; N898-M972 VanDerWaalsContact ND2-O 3.12Å |
| 899 | T | 78 | Confident | 92.8 | Very high | 55 Ų | 55 | 33.4 Ų | 33.4 | 34% | 0.337 | 19% | 0.187 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -117.9 | -4.8 | -177.3 | 50.7 | 0 | 0 | 0 | 0 | 114.6 | F896 Y904 M972 | F896-T899 PolarHBondContact O-N 3.03Å; F896-T899 PolarHBondContact O-OG1 3.09Å; T899-Y904 VanDerWaalsContact CB-OH 3.25Å; T899-Y904 WeakPolarHBondContact CB-OH 3.34Å; T899-Y904 WeakPolarHBondContact OG1-CE2 3.26Å; T899-Y904 PolarHBondContact OG1-OH 3.49Å; T899-M972 HydrophobicContact CG2-CG 3.77Å |
| 900 | G | 82.4 | Confident | 92.8 | Very high | 44 Ų | 44 | 31.4 Ų | 31.4 | 45% | 0.454 | 18% | 0.179 | S | C | . | . | trans | 107.1 | -151.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | D902 | G900-D902 VanDerWaalsContact C-N 3.34Š| ||
| 901 | D | 84.4 | Confident | 92.8 | Very high | 125 Ų | 125 | 37 Ų | 37 | 67% | 0.668 | 20% | 0.199 | S | C | * | . | S | Bend | trans | -89.9 | 6 | 179.4 | -83.2 | -46.2 | 0 | 0 | 0 | 114 | R895 | R895-D901 PolarHBondContact NE-O 3.32Å; R895-D901 IonicContact NH1-OD1 2.82Å; R895-D901 PolarHBondContact NH1-OD1 3.3Å; R895-D901 VanDerWaalsContact NH1-OD1 3.14Å |
| 902 | D | 90.5 | Very high | 92.7 | Very high | 72 Ų | 72 | 39.7 Ų | 39.7 | 39% | 0.385 | 21% | 0.213 | S | C | . | . | trans | -64.5 | 138.9 | 177.7 | -75.3 | -5.7 | 0 | 0 | 0 | 111.7 | G900 Y904 | G900-D902 VanDerWaalsContact C-N 3.34Å; D902-Y904 HydrophobicContact CB-CE2 3.92Å; D902-Y904 WeakPolarHBondContact O-CD2 3.23Å; D902-Y904 WeakPolarHBondContact O-CE2 3.49Å | ||
| 903 | W | 93.9 | Very high | 92.5 | Very high | 41 Ų | 41 | 40.3 Ų | 40.3 | 16% | 0.155 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 138.2 | 172.7 | -69.4 | 102.4 | 0 | 0 | 0 | 111.9 | H791 P792 E793 V893 R895 L930 | H791-W903 AromaticContact NE2-CD1 3.26Å; H791-W903 VanDerWaalsContact NE2-CD1 3.26Å; H791-W903 AromaticContact NE2-CD2 3.64Å; H791-W903 AromaticContact NE2-CE2 3.46Å; H791-W903 AromaticContact NE2-CG 3.5Å; H791-W903 AromaticContact NE2-NE1 3.17Å; H791-W903 PolarHBondContact NE2-NE1 3.03Å; H791-W903 VanDerWaalsContact NE2-NE1 3.17Å; P792-W903 HydrophobicContact CB-CH2 4.42Å; P792-W903 HydrophobicContact CB-CZ2 4.49Å; P792-W903 HydrophobicContact CG-CH2 3.88Å; P792-W903 HydrophobicContact CG-CZ2 4.36Å; E793-W903 VanDerWaalsContact CD-NE1 3.33Å; E793-W903 HydrophobicContact CG-CZ2 4.21Å; E793-W903 PolarHBondContact OE2-NE1 3.47Å; V893-W903 HydrophobicContact CG1-CD2 4.27Å; V893-W903 HydrophobicContact CG1-CE3 3.49Å; V893-W903 VanDerWaalsContact CG1-CE3 3.49Å; V893-W903 HydrophobicContact CG1-CZ3 3.94Å; R895-W903 HydrophobicContact CG-CD2 3.86Å; R895-W903 HydrophobicContact CG-CE3 3.64Å; R895-W903 HydrophobicContact CG-CG 4.47Å; R895-W903 HydrophobicContact CG-CH2 4.3Å; R895-W903 HydrophobicContact CG-CZ2 4.5Å; R895-W903 HydrophobicContact CG-CZ3 3.89Å; W903-L930 HydrophobicContact CB-CB 4.03Å; W903-L930 HydrophobicContact CB-CD2 4.23Å; W903-L930 PolarHBondContact O-N 3.1Å |
| 904 | Y | 95.7 | Very high | 92.4 | Very high | 16 Ų | 16 | 42.9 Ų | 42.9 | 6% | 0.063 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 140.8 | 175.2 | -64.2 | -90.2 | 0 | 0 | 0 | 110.8 | V893 C894 F896 T899 D902 T927 Y928 R929 V940 M972 | V893-Y904 WeakPolarHBondContact CA-O 3.4Å; C894-Y904 PolarHBondContact N-O 2.92Å; C894-Y904 PolarHBondContact O-N 3.41Å; F896-Y904 AromaticContact CD2-CD2 3.77Å; F896-Y904 HydrophobicContact CD2-CD2 3.77Å; F896-Y904 HydrophobicContact CD2-CE2 4.38Å; F896-Y904 HydrophobicContact CD2-CG 4.16Å; F896-Y904 HydrophobicContact CE2-CD2 4.36Å; F896-Y904 HydrophobicContact CE2-CG 4.32Å; T899-Y904 VanDerWaalsContact CB-OH 3.25Å; T899-Y904 WeakPolarHBondContact CB-OH 3.34Å; T899-Y904 WeakPolarHBondContact OG1-CE2 3.26Å; T899-Y904 PolarHBondContact OG1-OH 3.49Å; D902-Y904 HydrophobicContact CB-CE2 3.92Å; D902-Y904 WeakPolarHBondContact O-CD2 3.23Å; D902-Y904 WeakPolarHBondContact O-CE2 3.49Å; Y904-T927 HydrophobicContact CD1-CG2 4.07Å; Y904-Y928 CarbonylContact C-O 3.29Å; Y904-Y928 VanDerWaalsContact CA-O 3.24Å; Y904-Y928 WeakPolarHBondContact CA-O 3.28Å; Y904-R929 HydrophobicContact CD1-CB 4.35Å; Y904-R929 HydrophobicContact CE1-CB 4.17Å; Y904-R929 HydrophobicContact CE1-CG 4.37Å; Y904-V940 HydrophobicContact CE1-CG2 4.41Å; Y904-M972 HydrophobicContact CD1-CE 3.52Å; Y904-M972 HydrophobicContact CD2-CE 4.16Å; Y904-M972 HydrophobicContact CE1-CE 3.86Å; Y904-M972 HydrophobicContact CE2-CE 4.47Å; Y904-M972 HydrophobicContact CG-CE 3.67Å |
| 905 | V | 97.2 | Very high | 92.4 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 123.7 | 173.4 | -173.7 | 0 | 0 | 0 | 0 | 108.1 | I798 V891 V893 V907 Y928 L937 | I798-V905 HydrophobicContact CD1-CG1 4.29Å; I798-V905 HydrophobicContact CD1-CG2 3.64Å; I798-V905 HydrophobicContact CG2-CG1 3.96Å; V891-V905 HydrophobicContact CG2-CG1 4.01Å; V893-V905 HydrophobicContact CG2-CG2 4.23Å; V905-V907 HydrophobicContact CG1-CG2 4.24Å; V905-Y928 PolarHBondContact N-O 2.94Å; V905-Y928 PolarHBondContact O-N 3.24Å; V905-L937 HydrophobicContact CB-CD2 4.21Å; V905-L937 HydrophobicContact CG2-CD2 3.64Å |
| 906 | L | 97.9 | Very high | 92.3 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 130.1 | 177.7 | -67.5 | 87.3 | 0 | 0 | 0 | 109.5 | V891 A892 C894 F896 I925 Y926 I952 I959 L977 | V891-L906 VanDerWaalsContact CA-O 3.3Å; V891-L906 WeakPolarHBondContact CA-O 3.29Å; A892-L906 PolarHBondContact N-O 3.03Å; A892-L906 PolarHBondContact O-N 3.4Å; C894-L906 WeakPolarHBondContact SG-CD1 3.41Å; F896-L906 HydrophobicContact CE2-CD1 4.12Å; F896-L906 HydrophobicContact CZ-CD1 4.34Å; F896-L906 HydrophobicContact CZ-CD2 4.35Å; L906-I925 HydrophobicContact CD2-CG2 4.34Å; L906-Y926 VanDerWaalsContact CA-O 3.32Å; L906-Y926 WeakPolarHBondContact CA-O 3.39Å; L906-I952 HydrophobicContact CB-CD1 4.19Å; L906-I952 HydrophobicContact CB-CG2 4.39Å; L906-I959 HydrophobicContact CD1-CG2 4.5Å; L906-I959 HydrophobicContact CD2-CD1 3.18Å; L906-I959 HydrophobicContact CD2-CG1 4.2Å; L906-I959 HydrophobicContact CD2-CG2 4.12Å; L906-L977 HydrophobicContact CD2-CD1 4Å |
| 907 | V | 98.3 | Very high | 92.4 | Very high | 1 Ų | 1 | 55.1 Ų | 55.1 | 1% | 0.006 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 119.4 | -179.1 | -175.1 | 0 | 0 | 0 | 0 | 109.1 | I800 V866 A888 S890 V891 V905 V909 I925 Y926 Y928 | I800-V907 HydrophobicContact CG2-CG1 3.99Å; V866-V907 HydrophobicContact CG1-CG2 4.45Å; V866-V907 HydrophobicContact CG2-CG1 4.22Å; V866-V907 HydrophobicContact CG2-CG2 4.08Å; A888-V907 HydrophobicContact CB-CG1 3.76Å; S890-V907 CarbonylContact O-C 3.56Å; S890-V907 WeakPolarHBondContact O-CA 3.31Å; V891-V907 HydrophobicContact CG2-CG2 4.15Å; V905-V907 HydrophobicContact CG1-CG2 4.24Å; V907-V909 HydrophobicContact CG1-CG2 3.97Å; V907-I925 WeakPolarHBondContact O-CA 3.44Å; V907-Y926 PolarHBondContact N-O 3.21Å; V907-Y926 PolarHBondContact O-N 3.04Å; V907-Y928 HydrophobicContact CG2-CD2 4.41Å; V907-Y928 HydrophobicContact CG2-CE2 4.27Å |
| 908 | G | 97.9 | Very high | 92.6 | Very high | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 123.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111 | A888 F889 S890 | A888-G908 WeakPolarHBondContact CA-O 3.43Å; F889-G908 PolarHBondContact N-O 2.87Å; S890-G908 PolarHBondContact N-O 3.01Å; S890-G908 PolarHBondContact O-N 3.41Å; S890-G908 WeakPolarHBondContact OG-CA 3.4Å |
| 909 | V | 98.1 | Very high | 93.1 | Very high | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 136.4 | -170.2 | 176.9 | 0 | 0 | 0 | 0 | 110.1 | L882 E886 A887 A888 V907 G923 F924 Y926 P949 | L882-V909 HydrophobicContact CD1-CG2 3.96Å; E886-V909 HydrophobicContact CB-CG1 3.67Å; E886-V909 HydrophobicContact CG-CG1 4.28Å; A887-V909 CarbonylContact O-C 3.56Å; A887-V909 VanDerWaalsContact O-CA 3.28Å; A887-V909 WeakPolarHBondContact O-CA 3.3Å; A888-V909 HydrophobicContact CB-CG2 4.24Å; V907-V909 HydrophobicContact CG1-CG2 3.97Å; V909-G923 CarbonylContact O-C 3.58Å; V909-G923 WeakPolarHBondContact O-CA 3.25Å; V909-F924 HydrophobicContact CB-CB 4.35Å; V909-F924 PolarHBondContact N-O 3.21Å; V909-F924 PolarHBondContact O-N 3.29Å; V909-Y926 HydrophobicContact CB-CD2 4.22Å; V909-Y926 HydrophobicContact CB-CE2 4.23Å; V909-Y926 HydrophobicContact CG1-CE2 4.36Å; V909-Y926 HydrophobicContact CG2-CD2 3.61Å; V909-Y926 HydrophobicContact CG2-CE2 3.9Å; V909-P949 WeakPolarHBondContact O-CD 3.4Å |
| 910 | A | 97.3 | Very high | 93.9 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 152.5 | 167.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | E886 A887 F889 M913 V948 | E886-A910 WeakPolarHBondContact CA-O 3.39Å; A887-A910 PolarHBondContact N-O 2.91Å; A887-A910 PolarHBondContact O-N 3.35Å; F889-A910 HydrophobicContact CD2-CB 4.02Å; F889-A910 HydrophobicContact CE2-CB 3.66Å; A910-M913 HydrophobicContact CB-CB 4.28Å; A910-M913 HydrophobicContact CB-SD 4.29Å; A910-V948 HydrophobicContact CB-CB 3.95Å; A910-V948 HydrophobicContact CB-CG2 3.67Å |
| 911 | R | 96.2 | Very high | 94.4 | Very high | 121 Ų | 121 | 54.7 Ų | 54.7 | 46% | 0.457 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 135.4 | 174.6 | -176.2 | -170.3 | 165 | 153 | 5.9 | 110.6 | N885 M913 G921 G922 F924 | N885-R911 WeakPolarHBondContact O-CA 3.16Å; R911-M913 VanDerWaalsContact C-N 3.31Å; R911-M913 PolarHBondContact O-N 3.47Å; R911-G921 PolarHBondContact O-N 3.03Å; R911-G921 VanDerWaalsContact O-N 3.08Å; R911-G922 PolarHBondContact N-O 3.45Å; R911-G922 PolarHBondContact O-N 2.78Å; R911-F924 HydrophobicContact CB-CD2 4.49Å; R911-F924 HydrophobicContact CB-CE2 4.01Å; R911-F924 HydrophobicContact CG-CE2 4.3Å |
| 912 | D | 95.1 | Very high | 94.9 | Very high | 59 Ų | 59 | 49.1 Ų | 49.1 | 32% | 0.316 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 50.8 | 50.9 | 174.7 | -58.8 | -46.2 | 0 | 0 | 0 | 111.2 | N885 G921 | N885-D912 WeakPolarHBondContact CB-OD1 3.35Å; N885-D912 PolarHBondContact ND2-OD1 3.39Å; N885-D912 PolarHBondContact O-N 3.5Å; N885-D912 VanDerWaalsContact O-N 3.17Å; D912-G921 PolarHBondContact O-N 3.08Å |
| 913 | M | 93.3 | Very high | 95.2 | Very high | 20 Ų | 20 | 45.8 Ų | 45.8 | 10% | 0.099 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 118.8 | -177.5 | -175.7 | -179.5 | -178.4 | 0 | 0 | 110.5 | W862 F889 A910 R911 L915 | W862-M913 HydrophobicContact CZ2-CB 4.41Å; W862-M913 HydrophobicContact CZ2-CG 4.39Å; W862-M913 HydrophobicContact CZ2-SD 4.24Å; W862-M913 PolarHBondContact NE1-O 3.49Å; F889-M913 HydrophobicContact CE2-SD 3.82Å; F889-M913 HydrophobicContact CZ-SD 3.71Å; A910-M913 HydrophobicContact CB-CB 4.28Å; A910-M913 HydrophobicContact CB-SD 4.29Å; R911-M913 VanDerWaalsContact C-N 3.31Å; R911-M913 PolarHBondContact O-N 3.47Å; M913-L915 HydrophobicContact CE-CD2 3.74Å |
| 914 | I | 94.6 | Very high | 95.4 | Very high | 75 Ų | 75 | 45.2 Ų | 45.2 | 39% | 0.385 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 129.6 | 169.9 | -60 | 172.3 | 0 | 0 | 0 | 107.6 | R918 S919 | I914-R918 VanDerWaalsContact O-CA 3.29Å; I914-R918 WeakPolarHBondContact O-CA 3.36Å; I914-S919 WeakPolarHBondContact CB-OG 3.48Å; I914-S919 PolarHBondContact N-O 3.27Å; I914-S919 PolarHBondContact O-N 2.92Å |
| 915 | L | 92.3 | Very high | 95.5 | Very high | 87 Ų | 87 | 44.5 Ų | 44.5 | 46% | 0.455 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.8 | -38.7 | -174.7 | -72.6 | 168 | 0 | 0 | 0 | 113.2 | W862 M913 R918 | W862-L915 HydrophobicContact CH2-CD1 4.07Å; W862-L915 HydrophobicContact CH2-CD2 4.48Å; W862-L915 HydrophobicContact CH2-CG 4.42Å; W862-L915 HydrophobicContact CZ2-CD1 4.02Å; W862-L915 HydrophobicContact CZ2-CD2 4.34Å; W862-L915 HydrophobicContact CZ2-CG 4.02Å; M913-L915 HydrophobicContact CE-CD2 3.74Å; L915-R918 WeakPolarHBondContact O-CA 3.46Å; L915-R918 PolarHBondContact O-N 3.49Å |
| 916 | N | 92.6 | Very high | 95.5 | Very high | 149 Ų | 149 | 45.1 Ų | 45.1 | 80% | 0.797 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -142.4 | 113.9 | -176.1 | -171 | 27.6 | 0 | 0 | 0 | 111.9 | ||
| 917 | P | 93.6 | Very high | 95.5 | Very high | 105 Ų | 105 | 45.1 Ų | 45.1 | 68% | 0.682 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | cis | -64.4 | 145.8 | -11.2 | 28.6 | -34.2 | 0 | 0 | 0 | 111.2 | S919 | P917-S919 PolarHBondContact O-N 2.82Å; P917-S919 VanDerWaalsContact O-N 3.08Å |
| 918 | R | 92.2 | Very high | 95.4 | Very high | 122 Ų | 122 | 45.5 Ų | 45.5 | 46% | 0.46 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61 | 115 | -177.5 | -177.6 | -175.2 | 176 | -88.1 | -1.6 | 110.8 | I914 L915 D947 | I914-R918 VanDerWaalsContact O-CA 3.29Å; I914-R918 WeakPolarHBondContact O-CA 3.36Å; L915-R918 WeakPolarHBondContact O-CA 3.46Å; L915-R918 PolarHBondContact O-N 3.49Å; R918-D947 IonicContact NH2-OD1 2.76Å; R918-D947 PolarHBondContact NH2-OD1 2.83Å; R918-D947 IonicContact NH2-OD2 2.86Å |
| 919 | S | 94.2 | Very high | 95.3 | Very high | 55 Ų | 55 | 49.9 Ų | 49.9 | 39% | 0.385 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 151.1 | 169.9 | 73 | 0 | 0 | 0 | 0 | 110.1 | I914 P917 | I914-S919 WeakPolarHBondContact CB-OG 3.48Å; I914-S919 PolarHBondContact N-O 3.27Å; I914-S919 PolarHBondContact O-N 2.92Å; P917-S919 PolarHBondContact O-N 2.82Å; P917-S919 VanDerWaalsContact O-N 3.08Å |
| 920 | V | 94.1 | Very high | 95 | Very high | 41 Ų | 41 | 50.7 Ų | 50.7 | 25% | 0.248 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 131.7 | -175.1 | 62.9 | 0 | 0 | 0 | 0 | 109.5 | G922 | V920-G922 WeakPolarHBondContact CG2-O 3.26Å |
| 921 | G | 92.7 | Very high | 94.7 | Very high | 60 Ų | 60 | 51.9 Ų | 51.9 | 62% | 0.619 | 28% | 0.276 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.1 | -25.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | R911 D912 | R911-G921 PolarHBondContact O-N 3.03Å; R911-G921 VanDerWaalsContact O-N 3.08Å; D912-G921 PolarHBondContact O-N 3.08Å |
| 922 | G | 95.1 | Very high | 94 | Very high | 8 Ų | 8 | 49.4 Ų | 49.4 | 8% | 0.082 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 158 | -163.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | R911 V920 | R911-G922 PolarHBondContact N-O 3.45Å; R911-G922 PolarHBondContact O-N 2.78Å; V920-G922 WeakPolarHBondContact CG2-O 3.26Å |
| 923 | G | 96.3 | Very high | 93.2 | Very high | 2 Ų | 2 | 49.9 Ų | 49.9 | 2% | 0.021 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 170.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | V909 V945 | V909-G923 CarbonylContact O-C 3.58Å; V909-G923 WeakPolarHBondContact O-CA 3.25Å; G923-V945 PolarHBondContact N-O 3.3Å; G923-V945 WeakPolarHBondContact O-CG2 3.27Å; G923-V945 PolarHBondContact O-N 3.21Å; G923-V945 VanDerWaalsContact O-O 3.06Å |
| 924 | F | 97.9 | Very high | 92.7 | Very high | 29 Ų | 29 | 49 Ų | 49 | 13% | 0.127 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 152.5 | 176.9 | -58.9 | -70 | 0 | 0 | 0 | 111.4 | E886 V909 R911 Y926 K942 T943 P944 P949 | E886-F924 VanDerWaalsContact OE1-CD2 3.29Å; E886-F924 WeakPolarHBondContact OE1-CD2 3.33Å; E886-F924 WeakPolarHBondContact OE1-CE2 3.49Å; V909-F924 HydrophobicContact CB-CB 4.35Å; V909-F924 PolarHBondContact N-O 3.21Å; V909-F924 PolarHBondContact O-N 3.29Å; R911-F924 HydrophobicContact CB-CD2 4.49Å; R911-F924 HydrophobicContact CB-CE2 4.01Å; R911-F924 HydrophobicContact CG-CE2 4.3Å; F924-Y926 HydrophobicContact CB-CD2 4.21Å; F924-Y926 HydrophobicContact CB-CE2 4.07Å; F924-K942 HydrophobicContact CB-CG 3.98Å; F924-K942 HydrophobicContact CD1-CD 4.12Å; F924-K942 VanDerWaalsContact CD1-CE 3.44Å; F924-K942 HydrophobicContact CD1-CG 3.82Å; F924-K942 HydrophobicContact CE1-CD 4.49Å; F924-K942 HydrophobicContact CG-CD 4.21Å; F924-K942 HydrophobicContact CG-CG 3.99Å; F924-T943 CarbonylContact C-O 3.59Å; F924-T943 WeakPolarHBondContact CA-O 3.32Å; F924-P944 HydrophobicContact CD1-CB 4.1Å; F924-P944 HydrophobicContact CE1-CB 4.03Å; F924-P949 WeakPolarHBondContact O-CG 3.46Å |
| 925 | I | 98.1 | Very high | 92.5 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 107.5 | 165.1 | -53.4 | 168.7 | 0 | 0 | 0 | 106.9 | L906 V907 T943 V945 P949 V961 L977 | L906-I925 HydrophobicContact CD2-CG2 4.34Å; V907-I925 WeakPolarHBondContact O-CA 3.44Å; I925-T943 PolarHBondContact N-O 3.22Å; I925-T943 PolarHBondContact O-N 2.89Å; I925-V945 HydrophobicContact CD1-CG1 3.96Å; I925-V945 HydrophobicContact CG1-CG1 4.29Å; I925-P949 HydrophobicContact CG1-CB 4.3Å; I925-P949 HydrophobicContact CG1-CG 4.16Å; I925-V961 HydrophobicContact CD1-CG1 3.93Å; I925-V961 HydrophobicContact CD1-CG2 4.25Å; I925-L977 HydrophobicContact CB-CD1 4.06Å; I925-L977 HydrophobicContact CD1-CD1 4.26Å; I925-L977 HydrophobicContact CG2-CD1 3.54Å |
| 926 | Y | 98.1 | Very high | 92.7 | Very high | 14 Ų | 14 | 52.2 Ų | 52.2 | 6% | 0.055 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 139.2 | 171.9 | -79.1 | -100.4 | 0 | 0 | 0 | 109.6 | L882 E886 L906 V907 V909 F924 Y928 F939 K942 | L882-Y926 HydrophobicContact CD2-CE2 4.48Å; E886-Y926 PolarHBondContact OE2-OH 3.21Å; L906-Y926 VanDerWaalsContact CA-O 3.32Å; L906-Y926 WeakPolarHBondContact CA-O 3.39Å; V907-Y926 PolarHBondContact N-O 3.21Å; V907-Y926 PolarHBondContact O-N 3.04Å; V909-Y926 HydrophobicContact CB-CD2 4.22Å; V909-Y926 HydrophobicContact CB-CE2 4.23Å; V909-Y926 HydrophobicContact CG1-CE2 4.36Å; V909-Y926 HydrophobicContact CG2-CD2 3.61Å; V909-Y926 HydrophobicContact CG2-CE2 3.9Å; F924-Y926 HydrophobicContact CB-CD2 4.21Å; F924-Y926 HydrophobicContact CB-CE2 4.07Å; Y926-Y928 HydrophobicContact CD1-CE2 4.2Å; Y926-Y928 AromaticContact CD1-CZ 3.98Å; Y926-Y928 WeakPolarHBondContact CD1-OH 3.47Å; Y926-Y928 HydrophobicContact CG-CE2 4.28Å; Y926-F939 HydrophobicContact CD1-CD2 4.04Å; Y926-F939 AromaticContact CD1-CE2 3.63Å; Y926-F939 HydrophobicContact CD1-CE2 3.63Å; Y926-F939 HydrophobicContact CE1-CD2 4.44Å; Y926-F939 AromaticContact CE1-CE2 3.88Å; Y926-F939 HydrophobicContact CE1-CE2 3.88Å; Y926-K942 HydrophobicContact CD1-CB 4.5Å; Y926-K942 HydrophobicContact CD1-CG 4.5Å; Y926-K942 HydrophobicContact CD2-CG 4.41Å; Y926-K942 HydrophobicContact CE1-CB 4.38Å; Y926-K942 HydrophobicContact CE1-CD 3.92Å; Y926-K942 HydrophobicContact CE1-CG 4.16Å; Y926-K942 HydrophobicContact CE2-CD 4.05Å; Y926-K942 HydrophobicContact CE2-CG 4.11Å; Y926-K942 WeakPolarHBondContact OH-CD 3.44Å; Y926-K942 WeakPolarHBondContact OH-CE 3.29Å; Y926-K942 PolarHBondContact OH-NZ 3.21Å |
| 927 | T | 97.6 | Very high | 92.8 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 118.7 | 174.9 | -59.9 | 0 | 0 | 0 | 0 | 108.5 | Y904 V940 H941 M972 | Y904-T927 HydrophobicContact CD1-CG2 4.07Å; T927-V940 HydrophobicContact CG2-CB 4.27Å; T927-V940 WeakPolarHBondContact O-CB 3.49Å; T927-V940 PolarHBondContact O-N 3.35Å; T927-H941 PolarHBondContact N-O 3.14Å; T927-H941 PolarHBondContact O-N 2.93Å; T927-H941 PolarHBondContact OG1-NE2 2.92Å; T927-M972 HydrophobicContact CG2-CE 3.55Å; T927-M972 HydrophobicContact CG2-SD 4.15Å |
| 928 | Y | 96.9 | Very high | 92.9 | Very high | 8 Ų | 8 | 44 Ų | 44 | 3% | 0.031 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 147 | 173.4 | -59.9 | -92.3 | 0 | 0 | 0 | 109.8 | V880 Y904 V905 V907 Y926 L937 E938 F939 | V880-Y928 HydrophobicContact CG1-CE1 4.16Å; V880-Y928 HydrophobicContact CG2-CE1 4.43Å; Y904-Y928 CarbonylContact C-O 3.29Å; Y904-Y928 VanDerWaalsContact CA-O 3.24Å; Y904-Y928 WeakPolarHBondContact CA-O 3.28Å; V905-Y928 PolarHBondContact N-O 2.94Å; V905-Y928 PolarHBondContact O-N 3.24Å; V907-Y928 HydrophobicContact CG2-CD2 4.41Å; V907-Y928 HydrophobicContact CG2-CE2 4.27Å; Y926-Y928 HydrophobicContact CD1-CE2 4.2Å; Y926-Y928 AromaticContact CD1-CZ 3.98Å; Y926-Y928 WeakPolarHBondContact CD1-OH 3.47Å; Y926-Y928 HydrophobicContact CG-CE2 4.28Å; Y928-L937 HydrophobicContact CD1-CB 4.08Å; Y928-L937 HydrophobicContact CG-CB 4.37Å; Y928-E938 CarbonylContact C-O 3.16Å; Y928-E938 WeakPolarHBondContact CA-O 3.5Å; Y928-F939 HydrophobicContact CD1-CB 4.2Å; Y928-F939 HydrophobicContact CE1-CB 4.05Å; Y928-F939 HydrophobicContact CE1-CD2 4.09Å |
| 929 | R | 95 | Very high | 93.2 | Very high | 93 Ų | 93 | 43.8 Ų | 43.8 | 35% | 0.351 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 130.7 | 166.6 | -178.9 | 177.2 | 62.2 | 174.7 | 1.1 | 107.7 | Y904 T931 E938 V940 | Y904-R929 HydrophobicContact CD1-CB 4.35Å; Y904-R929 HydrophobicContact CE1-CB 4.17Å; Y904-R929 HydrophobicContact CE1-CG 4.37Å; R929-T931 HydrophobicContact CG-CG2 3.93Å; R929-T931 PolarHBondContact O-N 3.06Å; R929-E938 IonicContact CZ-OE2 2.61Å; R929-E938 PolarHBondContact N-O 3.13Å; R929-E938 IonicContact NE-OE2 2.72Å; R929-E938 IonicContact NH2-OE2 3.41Å; R929-E938 PolarHBondContact NH2-OE2 3.23Å; R929-E938 PolarHBondContact O-N 3.17Å; R929-V940 HydrophobicContact CB-CG2 3.77Å |
| 930 | L | 92.9 | Very high | 93.2 | Very high | 17 Ų | 17 | 43.8 Ų | 43.8 | 9% | 0.089 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 114.5 | 175.9 | -167.3 | 70.1 | 0 | 0 | 0 | 108.5 | L868 W903 L937 | L868-L930 HydrophobicContact CD2-CD1 4.36Å; W903-L930 HydrophobicContact CB-CB 4.03Å; W903-L930 HydrophobicContact CB-CD2 4.23Å; W903-L930 PolarHBondContact O-N 3.1Å; L930-L937 HydrophobicContact CD1-CD2 3.68Å |
| 931 | T | 90.4 | Very high | 93.4 | Very high | 24 Ų | 24 | 42.3 Ų | 42.3 | 15% | 0.147 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | -176.4 | -178.5 | 64.8 | 0 | 0 | 0 | 0 | 111.5 | R929 G933 G934 E935 K936 E938 | R929-T931 HydrophobicContact CG-CG2 3.93Å; R929-T931 PolarHBondContact O-N 3.06Å; T931-G933 PolarHBondContact O-N 3.3Å; T931-G934 PolarHBondContact O-N 2.58Å; T931-E935 PolarHBondContact O-N 3.22Å; T931-K936 PolarHBondContact N-O 3.44Å; T931-K936 PolarHBondContact O-N 2.65Å; T931-E938 WeakPolarHBondContact CB-OE1 3.48Å; T931-E938 HydrophobicContact CG2-CB 4.4Å; T931-E938 HydrophobicContact CG2-CG 4.09Å; T931-E938 WeakPolarHBondContact CG2-OE1 2.95Å; T931-E938 WeakPolarHBondContact CG2-OE2 2.73Å; T931-E938 VanDerWaalsContact OG1-CD 3.25Å; T931-E938 PolarHBondContact OG1-OE1 2.71Å |
| 932 | A | 81.6 | Confident | 93.6 | Very high | 69 Ų | 69 | 42.1 Ų | 42.1 | 57% | 0.57 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52.8 | 39.5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | G934 E935 K936 | A932-G934 PolarHBondContact O-N 3.35Å; A932-E935 HydrophobicContact CB-CB 4.44Å; A932-K936 HydrophobicContact CB-CB 4.4Å |
| 933 | G | 77.8 | Confident | 93.7 | Very high | 69 Ų | 69 | 42 Ų | 42 | 71% | 0.711 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 64.5 | 24.8 | -180 | 0 | 0 | 0 | 0 | 0 | 114.3 | T794 T931 | T794-G933 WeakPolarHBondContact CG2-O 3.33Å; T931-G933 PolarHBondContact O-N 3.3Å |
| 934 | G | 83.6 | Confident | 93.8 | Very high | 3 Ų | 3 | 46.1 Ų | 46.1 | 3% | 0.031 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 102 | 18 | 176.3 | 0 | 0 | 0 | 0 | 0 | 116 | N796 L868 T931 A932 | N796-G934 PolarHBondContact ND2-O 3.29Å; L868-G934 WeakPolarHBondContact CD2-O 3.26Å; T931-G934 PolarHBondContact O-N 2.58Å; A932-G934 PolarHBondContact O-N 3.35Å |
| 935 | E | 90.6 | Very high | 93.7 | Very high | 115 Ų | 115 | 45.4 Ų | 45.4 | 54% | 0.537 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -111.7 | -11.6 | -175.3 | -63.3 | -176.4 | 170.4 | 0 | 0 | 113.9 | L868 L877 T931 A932 | L868-E935 WeakPolarHBondContact CD2-O 3.25Å; L877-E935 HydrophobicContact CD1-CG 4.49Å; T931-E935 PolarHBondContact O-N 3.22Å; A932-E935 HydrophobicContact CB-CB 4.44Å |
| 936 | K | 94.8 | Very high | 93.6 | Very high | 114 Ų | 114 | 50.1 Ų | 50.1 | 50% | 0.496 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 143.2 | -177.5 | -166.2 | 174.6 | -176.5 | 175.9 | 0 | 113.4 | T931 A932 | T931-K936 PolarHBondContact N-O 3.44Å; T931-K936 PolarHBondContact O-N 2.65Å; A932-K936 HydrophobicContact CB-CB 4.4Å |
| 937 | L | 95.6 | Very high | 93.4 | Very high | 11 Ų | 11 | 51.1 Ų | 51.1 | 6% | 0.058 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 115.3 | 175.8 | -63.3 | 173.8 | 0 | 0 | 0 | 110.7 | V866 D878 V880 V905 Y928 L930 | V866-L937 HydrophobicContact CG1-CD1 3.92Å; D878-L937 PolarHBondContact OD2-N 3.5Å; V880-L937 HydrophobicContact CG2-CB 4.3Å; V880-L937 HydrophobicContact CG2-CD1 4.26Å; V905-L937 HydrophobicContact CB-CD2 4.21Å; V905-L937 HydrophobicContact CG2-CD2 3.64Å; Y928-L937 HydrophobicContact CD1-CB 4.08Å; Y928-L937 HydrophobicContact CG-CB 4.37Å; L930-L937 HydrophobicContact CD1-CD2 3.68Å |
| 938 | E | 95.9 | Very high | 93.3 | Very high | 69 Ų | 69 | 51.2 Ų | 51.2 | 32% | 0.322 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 123.3 | 173.9 | -74.4 | 176.9 | -162.5 | 0 | 0 | 111 | Y928 R929 T931 V940 | Y928-E938 CarbonylContact C-O 3.16Å; Y928-E938 WeakPolarHBondContact CA-O 3.5Å; R929-E938 IonicContact CZ-OE2 2.61Å; R929-E938 PolarHBondContact N-O 3.13Å; R929-E938 IonicContact NE-OE2 2.72Å; R929-E938 IonicContact NH2-OE2 3.41Å; R929-E938 PolarHBondContact NH2-OE2 3.23Å; R929-E938 PolarHBondContact O-N 3.17Å; T931-E938 WeakPolarHBondContact CB-OE1 3.48Å; T931-E938 HydrophobicContact CG2-CB 4.4Å; T931-E938 HydrophobicContact CG2-CG 4.09Å; T931-E938 WeakPolarHBondContact CG2-OE1 2.95Å; T931-E938 WeakPolarHBondContact CG2-OE2 2.73Å; T931-E938 VanDerWaalsContact OG1-CD 3.25Å; T931-E938 PolarHBondContact OG1-OE1 2.71Å; E938-V940 PolarHBondContact O-N 3.23Å |
| 939 | F | 97.1 | Very high | 93.3 | Very high | 119 Ų | 119 | 50.8 Ų | 50.8 | 52% | 0.522 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.7 | 129.1 | 177.8 | 176.8 | -99.5 | 0 | 0 | 0 | 111.6 | Y926 Y928 H941 K942 | Y926-F939 HydrophobicContact CD1-CD2 4.04Å; Y926-F939 AromaticContact CD1-CE2 3.63Å; Y926-F939 HydrophobicContact CD1-CE2 3.63Å; Y926-F939 HydrophobicContact CE1-CD2 4.44Å; Y926-F939 AromaticContact CE1-CE2 3.88Å; Y926-F939 HydrophobicContact CE1-CE2 3.88Å; Y928-F939 HydrophobicContact CD1-CB 4.2Å; Y928-F939 HydrophobicContact CE1-CB 4.05Å; Y928-F939 HydrophobicContact CE1-CD2 4.09Å; F939-H941 VanDerWaalsContact CZ-C 3.42Å; F939-K942 HydrophobicContact CE2-CB 4.05Å; F939-K942 HydrophobicContact CZ-CB 3.88Å |
| 940 | V | 95.7 | Very high | 93.3 | Very high | 55 Ų | 55 | 48.1 Ų | 48.1 | 33% | 0.333 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | -58.9 | 177.2 | -174.5 | 0 | 0 | 0 | 0 | 110.7 | Y904 T927 R929 E938 | Y904-V940 HydrophobicContact CE1-CG2 4.41Å; T927-V940 HydrophobicContact CG2-CB 4.27Å; T927-V940 WeakPolarHBondContact O-CB 3.49Å; T927-V940 PolarHBondContact O-N 3.35Å; R929-V940 HydrophobicContact CB-CG2 3.77Å; E938-V940 PolarHBondContact O-N 3.23Å |
| 941 | H | 97.1 | Very high | 93.5 | Very high | 10 Ų | 10 | 47.6 Ų | 47.6 | 5% | 0.046 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -163.7 | 165.8 | 176.9 | 61.7 | -105.8 | 0 | 0 | 0 | 112.1 | T927 F939 T943 G973 K975 K976 L977 | T927-H941 PolarHBondContact N-O 3.14Å; T927-H941 PolarHBondContact O-N 2.93Å; T927-H941 PolarHBondContact OG1-NE2 2.92Å; F939-H941 VanDerWaalsContact CZ-C 3.42Å; H941-T943 PolarHBondContact CD2-OG1 3.29Å; H941-T943 VanDerWaalsContact CD2-OG1 3.32Å; H941-G973 PolarHBondContact CE1-O 2.91Å; H941-G973 PolarHBondContact ND1-O 2.92Å; H941-K975 WeakPolarHBondContact CB-O 3.44Å; H941-K976 WeakPolarHBondContact NE2-CA 3.48Å; H941-L977 PolarHBondContact NE2-N 2.79Å |
| 942 | K | 97.3 | Very high | 93.8 | Very high | 55 Ų | 55 | 47 Ų | 47 | 24% | 0.239 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 113.2 | 177.3 | -179.5 | -179.8 | -178.6 | 169.5 | 0 | 109.1 | E886 F924 Y926 F939 | E886-K942 WeakPolarHBondContact OE1-CE 3.4Å; E886-K942 IonicContact OE1-NZ 3.68Å; E886-K942 PolarHBondContact OE1-NZ 2.76Å; E886-K942 IonicContact OE2-NZ 2.62Å; E886-K942 PolarHBondContact OE2-NZ 3.25Å; F924-K942 HydrophobicContact CB-CG 3.98Å; F924-K942 HydrophobicContact CD1-CD 4.12Å; F924-K942 VanDerWaalsContact CD1-CE 3.44Å; F924-K942 HydrophobicContact CD1-CG 3.82Å; F924-K942 HydrophobicContact CE1-CD 4.49Å; F924-K942 HydrophobicContact CG-CD 4.21Å; F924-K942 HydrophobicContact CG-CG 3.99Å; Y926-K942 HydrophobicContact CD1-CB 4.5Å; Y926-K942 HydrophobicContact CD1-CG 4.5Å; Y926-K942 HydrophobicContact CD2-CG 4.41Å; Y926-K942 HydrophobicContact CE1-CB 4.38Å; Y926-K942 HydrophobicContact CE1-CD 3.92Å; Y926-K942 HydrophobicContact CE1-CG 4.16Å; Y926-K942 HydrophobicContact CE2-CD 4.05Å; Y926-K942 HydrophobicContact CE2-CG 4.11Å; Y926-K942 WeakPolarHBondContact OH-CD 3.44Å; Y926-K942 WeakPolarHBondContact OH-CE 3.29Å; Y926-K942 PolarHBondContact OH-NZ 3.21Å; F939-K942 HydrophobicContact CE2-CB 4.05Å; F939-K942 HydrophobicContact CZ-CB 3.88Å |
| 943 | T | 97.9 | Very high | 94.6 | Very high | 5 Ų | 5 | 44 Ų | 44 | 3% | 0.031 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 119.7 | -178.2 | -57.1 | 0 | 0 | 0 | 0 | 110.5 | F924 I925 H941 K976 L977 | F924-T943 CarbonylContact C-O 3.59Å; F924-T943 WeakPolarHBondContact CA-O 3.32Å; I925-T943 PolarHBondContact N-O 3.22Å; I925-T943 PolarHBondContact O-N 2.89Å; H941-T943 PolarHBondContact CD2-OG1 3.29Å; H941-T943 VanDerWaalsContact CD2-OG1 3.32Å; T943-K976 HydrophobicContact CG2-CB 4.12Å; T943-K976 WeakPolarHBondContact OG1-CA 3.25Å; T943-L977 HydrophobicContact CG2-CB 4.28Å; T943-L977 PolarHBondContact OG1-N 2.62Å |
| 944 | P | 97.6 | Very high | 95.4 | Very high | 90 Ų | 90 | 43.7 Ų | 43.7 | 58% | 0.584 | 22% | 0.224 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -74 | 144 | 177.1 | 30.1 | -34.4 | 0 | 0 | 0 | 112.3 | F924 | F924-P944 HydrophobicContact CD1-CB 4.1Å; F924-P944 HydrophobicContact CE1-CB 4.03Å |
| 945 | V | 97.1 | Very high | 95.9 | Very high | 13 Ų | 13 | 44 Ų | 44 | 8% | 0.079 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 158.7 | 173.7 | -66.2 | 0 | 0 | 0 | 0 | 110 | G923 I925 D947 P949 V963 | G923-V945 PolarHBondContact N-O 3.3Å; G923-V945 WeakPolarHBondContact O-CG2 3.27Å; G923-V945 PolarHBondContact O-N 3.21Å; G923-V945 VanDerWaalsContact O-O 3.06Å; I925-V945 HydrophobicContact CD1-CG1 3.96Å; I925-V945 HydrophobicContact CG1-CG1 4.29Å; V945-D947 VanDerWaalsContact CG2-O 3.31Å; V945-D947 WeakPolarHBondContact CG2-O 3.34Å; V945-P949 HydrophobicContact CG2-CG 4.16Å; V945-V963 HydrophobicContact CB-CG1 4.06Å; V945-V963 HydrophobicContact CG1-CG2 4.44Å; V945-V963 HydrophobicContact CG2-CG1 4.31Å |
| 946 | E | 94.8 | Very high | 95.9 | Very high | 99 Ų | 99 | 42.3 Ų | 42.3 | 46% | 0.463 | 22% | 0.216 | S | C | . | . | S | Bend | trans | -82.7 | -21.3 | -170.8 | 67.9 | -80.1 | -168 | 0 | 0 | 115.3 | L966 R968 | E946-L966 WeakPolarHBondContact OE1-CD1 3.37Å; E946-R968 VanDerWaalsContact CD-NH1 3.27Å; E946-R968 IonicContact OE1-CZ 2.71Å; E946-R968 IonicContact OE1-NH1 3.12Å; E946-R968 PolarHBondContact OE1-NH1 2.8Å; E946-R968 IonicContact OE1-NH2 3.98Å; E946-R968 PolarHBondContact OE1-NH2 2.69Å; E946-R968 IonicContact OE2-CZ 3.31Å; E946-R968 IonicContact OE2-NH1 3.69Å; E946-R968 PolarHBondContact OE2-NH1 3.06Å; E946-R968 IonicContact OE2-NH2 3.34Å |
| 947 | D | 95.3 | Very high | 95.7 | Very high | 36 Ų | 36 | 38.1 Ų | 38.1 | 19% | 0.193 | 21% | 0.206 | C | C | . | . | S | Bend | trans | -139 | 174.6 | 179.5 | -157.7 | -22.7 | 0 | 0 | 0 | 108.3 | R918 V945 P949 V963 G964 | R918-D947 IonicContact NH2-OD1 2.76Å; R918-D947 PolarHBondContact NH2-OD1 2.83Å; R918-D947 IonicContact NH2-OD2 2.86Å; V945-D947 VanDerWaalsContact CG2-O 3.31Å; V945-D947 WeakPolarHBondContact CG2-O 3.34Å; D947-P949 WeakPolarHBondContact O-CD 3.36Å; D947-V963 HydrophobicContact CB-CG1 4.04Å; D947-V963 WeakPolarHBondContact O-CG1 3.32Å; D947-G964 WeakPolarHBondContact OD2-CA 3.37Å |
| 948 | V | 95 | Very high | 95.6 | Very high | 1 Ų | 1 | 39.3 Ų | 39.3 | 1% | 0.006 | 21% | 0.209 | C | C | . | . | trans | -69.1 | 127.2 | -177.5 | 55.6 | 0 | 0 | 0 | 0 | 111.9 | F889 A910 L950 G964 | F889-V948 HydrophobicContact CD2-CG2 3.79Å; F889-V948 HydrophobicContact CE2-CG2 4.36Å; F889-V948 HydrophobicContact CG-CG2 4.46Å; A910-V948 HydrophobicContact CB-CB 3.95Å; A910-V948 HydrophobicContact CB-CG2 3.67Å; V948-L950 HydrophobicContact CG1-CD1 4.33Å; V948-L950 HydrophobicContact CG1-CD2 4.24Å; V948-L950 HydrophobicContact CG1-CG 3.95Å; V948-L950 HydrophobicContact CG2-CD2 3.56Å; V948-L950 HydrophobicContact CG2-CG 3.9Å; V948-L950 PolarHBondContact O-N 2.74Å; V948-G964 PolarHBondContact O-N 3.25Å; V948-G964 VanDerWaalsContact O-N 3.16Å | ||
| 949 | P | 96.7 | Very high | 95.5 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 86.6 | 171.6 | 31.7 | -31.9 | 0 | 0 | 0 | 111.6 | S890 V909 F924 I925 V945 D947 V961 G962 V963 | S890-P949 PolarHBondContact OG-O 3.31Å; V909-P949 WeakPolarHBondContact O-CD 3.4Å; F924-P949 WeakPolarHBondContact O-CG 3.46Å; I925-P949 HydrophobicContact CG1-CB 4.3Å; I925-P949 HydrophobicContact CG1-CG 4.16Å; V945-P949 HydrophobicContact CG2-CG 4.16Å; D947-P949 WeakPolarHBondContact O-CD 3.36Å; P949-V961 HydrophobicContact CB-CG1 3.79Å; P949-G962 CarbonylContact C-O 3.55Å; P949-G962 VanDerWaalsContact CA-O 3.26Å; P949-G962 WeakPolarHBondContact CA-O 3.3Å; P949-V963 HydrophobicContact CB-CG2 4.36Å |
| 950 | L | 95.6 | Very high | 95.5 | Very high | 36 Ų | 36 | 30.4 Ų | 30.4 | 19% | 0.188 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | -16.8 | -176.5 | -69 | 179.3 | 0 | 0 | 0 | 114.5 | F889 S890 V948 G962 L989 V990 | F889-L950 HydrophobicContact CB-CD2 3.53Å; F889-L950 HydrophobicContact CD1-CD2 4.12Å; F889-L950 HydrophobicContact CD2-CD2 4.22Å; F889-L950 HydrophobicContact CG-CD2 3.7Å; S890-L950 WeakPolarHBondContact CB-O 3.43Å; V948-L950 HydrophobicContact CG1-CD1 4.33Å; V948-L950 HydrophobicContact CG1-CD2 4.24Å; V948-L950 HydrophobicContact CG1-CG 3.95Å; V948-L950 HydrophobicContact CG2-CD2 3.56Å; V948-L950 HydrophobicContact CG2-CG 3.9Å; V948-L950 PolarHBondContact O-N 2.74Å; L950-G962 PolarHBondContact N-O 3.38Å; L950-L989 HydrophobicContact CD1-CD1 3.84Å; L950-L989 HydrophobicContact CD1-CD2 3.69Å; L950-L989 HydrophobicContact CD1-CG 3.81Å; L950-V990 WeakPolarHBondContact CB-O 3.46Å |
| 951 | A | 96.3 | Very high | 95.6 | Very high | 6 Ų | 6 | 27.8 Ų | 27.8 | 5% | 0.05 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 131.7 | -178.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | V961 G962 V990 I993 | A951-V961 WeakPolarHBondContact O-CA 3.38Å; A951-G962 PolarHBondContact O-N 2.85Å; A951-V990 HydrophobicContact CB-CG1 4.01Å; A951-I993 HydrophobicContact CB-CB 4.3Å; A951-I993 HydrophobicContact CB-CD1 3.72Å; A951-I993 HydrophobicContact CB-CG1 3.69Å |
| 952 | I | 97.3 | Very high | 95.6 | Very high | 11 Ų | 11 | 27.3 Ų | 27.3 | 6% | 0.056 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 130.1 | 173.5 | -59.7 | 171.9 | 0 | 0 | 0 | 107.8 | S890 A892 L906 L960 V961 | S890-I952 VanDerWaalsContact OG-CD1 3.31Å; S890-I952 WeakPolarHBondContact OG-CD1 3.3Å; S890-I952 WeakPolarHBondContact OG-CG1 3.47Å; A892-I952 HydrophobicContact CB-CB 4.1Å; A892-I952 HydrophobicContact CB-CG2 3.63Å; L906-I952 HydrophobicContact CB-CD1 4.19Å; L906-I952 HydrophobicContact CB-CG2 4.39Å; I952-L960 WeakPolarHBondContact CA-O 3.36Å; I952-V961 HydrophobicContact CG1-CG1 4.24Å; I952-V961 HydrophobicContact CG1-CG2 4.36Å |
| 953 | A | 96.9 | Very high | 95.6 | Very high | 6 Ų | 6 | 24.7 Ų | 24.7 | 5% | 0.05 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 134.7 | 177 | 0 | 0 | 0 | 0 | 0 | 111.7 | L960 I993 T995 | A953-L960 PolarHBondContact N-O 3.23Å; A953-L960 PolarHBondContact O-N 2.88Å; A953-I993 HydrophobicContact CB-CB 3.99Å; A953-I993 HydrophobicContact CB-CG2 3.74Å; A953-T995 HydrophobicContact CB-CG2 4.32Å |
| 954 | P | 95.6 | Very high | 95.5 | Very high | 64 Ų | 64 | 24.5 Ų | 24.5 | 42% | 0.416 | 14% | 0.139 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 137.9 | 170.6 | 27.7 | -32.3 | 0 | 0 | 0 | 110.9 | C894 T995 | C894-P954 HydrophobicContact CB-CB 3.87Å; P954-T995 PolarHBondContact O-OG1 3.34Å |
| 955 | F | 94.9 | Very high | 95.3 | Very high | 8 Ų | 8 | 25.3 Ų | 25.3 | 4% | 0.035 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.1 | 113 | -178.7 | -175.2 | -116.1 | 0 | 0 | 0 | 112.6 | G957 R958 L960 T995 V1000 Y1014 | F955-G957 VanDerWaalsContact C-N 3.33Å; F955-G957 PolarHBondContact O-N 2.96Å; F955-R958 CarbonylContact C-O 3.49Å; F955-R958 PolarHBondContact N-O 2.95Å; F955-R958 CarbonylContact O-C 3.54Å; F955-R958 WeakPolarHBondContact O-CA 3.42Å; F955-R958 PolarHBondContact O-N 2.9Å; F955-R958 VanDerWaalsContact O-O 3.11Å; F955-L960 HydrophobicContact CB-CD1 3.58Å; F955-L960 HydrophobicContact CB-CG 3.92Å; F955-L960 HydrophobicContact CD1-CD1 3.8Å; F955-L960 HydrophobicContact CD1-CG 4.17Å; F955-L960 HydrophobicContact CD2-CD1 4.22Å; F955-L960 HydrophobicContact CG-CD1 3.6Å; F955-L960 HydrophobicContact CG-CG 4.24Å; F955-T995 HydrophobicContact CB-CG2 4.18Å; F955-T995 HydrophobicContact CD2-CG2 3.75Å; F955-T995 HydrophobicContact CG-CG2 4.24Å; F955-V1000 HydrophobicContact CD2-CG2 4.41Å; F955-V1000 HydrophobicContact CE1-CG2 4.32Å; F955-V1000 HydrophobicContact CE2-CG2 4.05Å; F955-V1000 HydrophobicContact CZ-CG2 4Å; F955-Y1014 AromaticContact CE1-CD1 3.51Å; F955-Y1014 HydrophobicContact CE1-CD1 3.51Å; F955-Y1014 HydrophobicContact CE1-CE1 4.34Å; F955-Y1014 AromaticContact CE1-CG 3.73Å; F955-Y1014 HydrophobicContact CE1-CG 3.73Å; F955-Y1014 HydrophobicContact CZ-CD1 4.06Å; F955-Y1014 HydrophobicContact CZ-CG 4.3Å |
| 956 | Q | 90.5 | Very high | 95.3 | Very high | 81 Ų | 81 | 25.9 Ų | 25.9 | 38% | 0.379 | 14% | 0.136 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50.7 | 46.4 | 174.4 | -58.5 | -177.1 | -2.3 | 0 | 0 | 113.8 | R958 G997 | Q956-R958 PolarHBondContact O-N 2.94Å; Q956-G997 PolarHBondContact NE2-O 3.4Å |
| 957 | G | 88.8 | Confident | 95.4 | Very high | 26 Ų | 26 | 21.2 Ų | 21.2 | 27% | 0.268 | 11% | 0.114 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 71.9 | 8.4 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | P897 F955 | P897-G957 VanDerWaalsContact CD-CA 3.49Å; P897-G957 WeakPolarHBondContact CD-O 3.22Å; F955-G957 VanDerWaalsContact C-N 3.33Å; F955-G957 PolarHBondContact O-N 2.96Å |
| 958 | R | 93.4 | Very high | 95.5 | Very high | 35 Ų | 35 | 20 Ų | 20 | 13% | 0.132 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | -176.1 | 173.2 | -73.5 | 174.1 | -64.8 | 176.8 | 3.2 | 108.7 | F955 Q956 I969 Y970 D971 Y1014 | F955-R958 CarbonylContact C-O 3.49Å; F955-R958 PolarHBondContact N-O 2.95Å; F955-R958 CarbonylContact O-C 3.54Å; F955-R958 WeakPolarHBondContact O-CA 3.42Å; F955-R958 PolarHBondContact O-N 2.9Å; F955-R958 VanDerWaalsContact O-O 3.11Å; Q956-R958 PolarHBondContact O-N 2.94Å; R958-I969 HydrophobicContact CB-CG2 4.05Å; R958-Y970 WeakPolarHBondContact CB-O 3.2Å; R958-D971 HydrophobicContact CG-CB 4.38Å; R958-Y1014 VanDerWaalsContact CZ-OH 3.31Å; R958-Y1014 PolarHBondContact NH1-OH 2.82Å; R958-Y1014 PolarHBondContact NH2-OH 2.79Å |
| 959 | I | 95.8 | Very high | 95.5 | Very high | 1 Ų | 1 | 20 Ų | 20 | 1% | 0.005 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 139.7 | 176.3 | 52.9 | 152.3 | 0 | 0 | 0 | 111 | C894 F896 L906 V961 I969 Y970 L977 | C894-I959 VanDerWaalsContact SG-CG2 3.55Å; F896-I959 HydrophobicContact CE1-CG1 4.08Å; F896-I959 HydrophobicContact CE1-CG2 3.95Å; F896-I959 HydrophobicContact CZ-CB 4.45Å; F896-I959 HydrophobicContact CZ-CD1 4.48Å; F896-I959 HydrophobicContact CZ-CG1 4.05Å; F896-I959 HydrophobicContact CZ-CG2 3.6Å; L906-I959 HydrophobicContact CD1-CG2 4.5Å; L906-I959 HydrophobicContact CD2-CD1 3.18Å; L906-I959 HydrophobicContact CD2-CG1 4.2Å; L906-I959 HydrophobicContact CD2-CG2 4.12Å; I959-V961 HydrophobicContact CD1-CG2 3.73Å; I959-V961 HydrophobicContact CG1-CG2 4.44Å; I959-I969 CarbonylContact O-C 3.57Å; I959-I969 WeakPolarHBondContact O-CA 3.21Å; I959-Y970 WeakPolarHBondContact CG1-O 3.49Å; I959-Y970 PolarHBondContact N-O 2.9Å; I959-Y970 VanDerWaalsContact N-O 3.14Å; I959-Y970 PolarHBondContact O-N 2.95Å; I959-L977 HydrophobicContact CD1-CD1 3.8Å; I959-L977 HydrophobicContact CD1-CD2 4.34Å |
| 960 | L | 97 | Very high | 95.5 | Very high | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 133.6 | 165.4 | -78 | 162.6 | 0 | 0 | 0 | 108.6 | I952 A953 F955 L967 R968 I969 I993 T995 V1000 L1021 | I952-L960 WeakPolarHBondContact CA-O 3.36Å; A953-L960 PolarHBondContact N-O 3.23Å; A953-L960 PolarHBondContact O-N 2.88Å; F955-L960 HydrophobicContact CB-CD1 3.58Å; F955-L960 HydrophobicContact CB-CG 3.92Å; F955-L960 HydrophobicContact CD1-CD1 3.8Å; F955-L960 HydrophobicContact CD1-CG 4.17Å; F955-L960 HydrophobicContact CD2-CD1 4.22Å; F955-L960 HydrophobicContact CG-CD1 3.6Å; F955-L960 HydrophobicContact CG-CG 4.24Å; L960-L967 HydrophobicContact CD2-CD1 4.13Å; L960-L967 HydrophobicContact CD2-CG 4.28Å; L960-R968 CarbonylContact C-O 3.43Å; L960-R968 WeakPolarHBondContact CA-O 3.48Å; L960-I969 HydrophobicContact CD2-CB 4.49Å; L960-I969 HydrophobicContact CD2-CD1 4.17Å; L960-I969 HydrophobicContact CD2-CG1 3.34Å; L960-I969 HydrophobicContact CG-CG1 4.2Å; L960-I993 HydrophobicContact CB-CD1 4.45Å; L960-I993 HydrophobicContact CB-CG2 4.19Å; L960-I993 HydrophobicContact CD1-CG2 4.24Å; L960-T995 HydrophobicContact CD1-CG2 3.68Å; L960-V1000 HydrophobicContact CD1-CB 4.29Å; L960-V1000 HydrophobicContact CD1-CG1 3.72Å; L960-V1000 HydrophobicContact CD1-CG2 3.53Å; L960-L1021 HydrophobicContact CD2-CD1 4.46Å |
| 961 | V | 97.8 | Very high | 95.5 | Very high | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 128.2 | 178.5 | -172 | 0 | 0 | 0 | 0 | 109.3 | I925 P949 A951 I952 I959 V963 R968 Y970 | I925-V961 HydrophobicContact CD1-CG1 3.93Å; I925-V961 HydrophobicContact CD1-CG2 4.25Å; P949-V961 HydrophobicContact CB-CG1 3.79Å; A951-V961 WeakPolarHBondContact O-CA 3.38Å; I952-V961 HydrophobicContact CG1-CG1 4.24Å; I952-V961 HydrophobicContact CG1-CG2 4.36Å; I959-V961 HydrophobicContact CD1-CG2 3.73Å; I959-V961 HydrophobicContact CG1-CG2 4.44Å; V961-V963 HydrophobicContact CG1-CG2 3.83Å; V961-R968 PolarHBondContact N-O 2.97Å; V961-R968 PolarHBondContact O-N 3.24Å; V961-Y970 HydrophobicContact CB-CD2 4.1Å; V961-Y970 HydrophobicContact CB-CE2 4.23Å; V961-Y970 HydrophobicContact CG2-CD2 3.91Å; V961-Y970 HydrophobicContact CG2-CE2 4.44Å |
| 962 | G | 97.2 | Very high | 95.4 | Very high | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 109.7 | 172.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | P949 L950 A951 L966 | P949-G962 CarbonylContact C-O 3.55Å; P949-G962 VanDerWaalsContact CA-O 3.26Å; P949-G962 WeakPolarHBondContact CA-O 3.3Å; L950-G962 PolarHBondContact N-O 3.38Å; A951-G962 PolarHBondContact O-N 2.85Å; G962-L966 CarbonylContact C-O 3.56Å; G962-L966 WeakPolarHBondContact CA-O 3.24Å |
| 963 | V | 96.8 | Very high | 95.2 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 101.4 | -178.4 | -176.9 | 0 | 0 | 0 | 0 | 108.2 | V945 D947 P949 V961 K965 L966 | V945-V963 HydrophobicContact CB-CG1 4.06Å; V945-V963 HydrophobicContact CG1-CG2 4.44Å; V945-V963 HydrophobicContact CG2-CG1 4.31Å; D947-V963 HydrophobicContact CB-CG1 4.04Å; D947-V963 WeakPolarHBondContact O-CG1 3.32Å; P949-V963 HydrophobicContact CB-CG2 4.36Å; V961-V963 HydrophobicContact CG1-CG2 3.83Å; V963-K965 PolarHBondContact O-N 2.89Å; V963-L966 PolarHBondContact N-O 3.24Å; V963-L966 VanDerWaalsContact O-CB 3.26Å; V963-L966 WeakPolarHBondContact O-CB 3.38Å; V963-L966 PolarHBondContact O-N 3.42Å |
| 964 | G | 94.6 | Very high | 94.9 | Very high | 1 Ų | 1 | 30.6 Ų | 30.6 | 1% | 0.01 | 15% | 0.154 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58.8 | -123.5 | -169.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | D947 V948 V990 | D947-G964 WeakPolarHBondContact OD2-CA 3.37Å; V948-G964 PolarHBondContact O-N 3.25Å; V948-G964 VanDerWaalsContact O-N 3.16Å; G964-V990 PolarHBondContact O-N 2.83Å |
| 965 | K | 94.9 | Very high | 94.7 | Very high | 108 Ų | 108 | 36.5 Ų | 36.5 | 47% | 0.47 | 17% | 0.173 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.5 | 2.8 | 172 | 68.4 | -179.8 | 177.9 | -177.1 | 0 | 115.3 | V963 V986 N988 | V963-K965 PolarHBondContact O-N 2.89Å; K965-V986 WeakPolarHBondContact O-CB 3.43Å; K965-N988 WeakPolarHBondContact CB-O 3.48Å |
| 966 | L | 96.4 | Very high | 94.8 | Very high | 25 Ų | 25 | 41.7 Ų | 41.7 | 13% | 0.131 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 124.9 | -171.7 | -55.6 | 160.6 | 0 | 0 | 0 | 109.8 | E946 G962 V963 N983 K984 | E946-L966 WeakPolarHBondContact OE1-CD1 3.37Å; G962-L966 CarbonylContact C-O 3.56Å; G962-L966 WeakPolarHBondContact CA-O 3.24Å; V963-L966 PolarHBondContact N-O 3.24Å; V963-L966 VanDerWaalsContact O-CB 3.26Å; V963-L966 WeakPolarHBondContact O-CB 3.38Å; V963-L966 PolarHBondContact O-N 3.42Å; L966-N983 WeakPolarHBondContact CA-O 3.39Å; L966-K984 HydrophobicContact CD2-CB 3.89Å; L966-K984 HydrophobicContact CD2-CD 3.95Å; L966-K984 HydrophobicContact CD2-CG 3.51Å |
| 967 | L | 97 | Very high | 95.1 | Very high | 1 Ų | 1 | 38.1 Ų | 38.1 | 1% | 0.005 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 120.1 | 171.2 | -178.8 | 67.2 | 0 | 0 | 0 | 109.5 | L960 E982 N983 I993 V1000 V1002 V1012 L1021 | L960-L967 HydrophobicContact CD2-CD1 4.13Å; L960-L967 HydrophobicContact CD2-CG 4.28Å; L967-E982 CarbonylContact O-C 3.56Å; L967-E982 WeakPolarHBondContact O-CA 3.24Å; L967-N983 PolarHBondContact N-O 2.86Å; L967-N983 PolarHBondContact O-N 3.08Å; L967-I993 HydrophobicContact CD1-CD1 3.52Å; L967-I993 HydrophobicContact CD1-CG1 4.14Å; L967-V1000 HydrophobicContact CD2-CG1 4.28Å; L967-V1002 HydrophobicContact CD1-CG2 4.44Å; L967-V1002 HydrophobicContact CD2-CG2 3.8Å; L967-V1012 HydrophobicContact CD2-CG1 4.28Å; L967-V1012 HydrophobicContact CD2-CG2 4.42Å; L967-L1021 HydrophobicContact CB-CD1 4.49Å; L967-L1021 HydrophobicContact CD2-CD1 3.87Å; L967-L1021 HydrophobicContact CD2-CD2 4.32Å; L967-L1021 HydrophobicContact CG-CD1 3.9Å |
| 968 | R | 96.8 | Very high | 95.4 | Very high | 11 Ų | 11 | 40.5 Ų | 40.5 | 4% | 0.042 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 143.4 | -175.5 | -69.2 | 175.3 | 168.5 | 160.6 | 2.6 | 112.4 | E946 L960 V961 Y970 R979 C981 E982 | E946-R968 VanDerWaalsContact CD-NH1 3.27Å; E946-R968 IonicContact OE1-CZ 2.71Å; E946-R968 IonicContact OE1-NH1 3.12Å; E946-R968 PolarHBondContact OE1-NH1 2.8Å; E946-R968 IonicContact OE1-NH2 3.98Å; E946-R968 PolarHBondContact OE1-NH2 2.69Å; E946-R968 IonicContact OE2-CZ 3.31Å; E946-R968 IonicContact OE2-NH1 3.69Å; E946-R968 PolarHBondContact OE2-NH1 3.06Å; E946-R968 IonicContact OE2-NH2 3.34Å; L960-R968 CarbonylContact C-O 3.43Å; L960-R968 WeakPolarHBondContact CA-O 3.48Å; V961-R968 PolarHBondContact N-O 2.97Å; V961-R968 PolarHBondContact O-N 3.24Å; R968-Y970 HydrophobicContact CB-CD2 3.82Å; R968-Y970 HydrophobicContact CB-CE2 3.44Å; R968-Y970 VanDerWaalsContact CB-CE2 3.44Å; R968-Y970 WeakPolarHBondContact CD-OH 3.02Å; R968-Y970 HydrophobicContact CG-CE2 4.15Å; R968-Y970 PolarHBondContact NH1-OH 3.08Å; R968-R979 HydrophobicContact CG-CG 4.44Å; R968-C981 WeakPolarHBondContact CA-O 3.34Å; R968-E982 HydrophobicContact CG-CB 4.24Å; R968-E982 HydrophobicContact CG-CG 4.03Å; R968-E982 IonicContact CZ-OE2 3.69Å; R968-E982 IonicContact NE-OE2 2.69Å; R968-E982 PolarHBondContact NE-OE2 2.85Å; R968-E982 IonicContact NH2-OE2 3.66Å; R968-E982 PolarHBondContact NH2-OE2 3.03Å |
| 969 | I | 96.4 | Very high | 95.5 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 126.9 | 164.3 | -63 | 171 | 0 | 0 | 0 | 108.2 | R958 I959 L960 K980 C981 Y1014 L1021 | R958-I969 HydrophobicContact CB-CG2 4.05Å; I959-I969 CarbonylContact O-C 3.57Å; I959-I969 WeakPolarHBondContact O-CA 3.21Å; L960-I969 HydrophobicContact CD2-CB 4.49Å; L960-I969 HydrophobicContact CD2-CD1 4.17Å; L960-I969 HydrophobicContact CD2-CG1 3.34Å; L960-I969 HydrophobicContact CG-CG1 4.2Å; I969-K980 HydrophobicContact CG2-CB 4.37Å; I969-K980 PolarHBondContact O-N 2.78Å; I969-C981 HydrophobicContact CB-CB 4.01Å; I969-C981 HydrophobicContact CD1-CB 3.99Å; I969-C981 HydrophobicContact CG1-CB 4.19Å; I969-C981 PolarHBondContact N-O 3.37Å; I969-C981 PolarHBondContact O-N 3.43Å; I969-Y1014 HydrophobicContact CD1-CD2 3.28Å; I969-Y1014 HydrophobicContact CD1-CE2 3.27Å; I969-Y1014 HydrophobicContact CD1-CG 3.96Å; I969-L1021 HydrophobicContact CD1-CD1 4.37Å; I969-L1021 HydrophobicContact CD1-CD2 4.25Å; I969-L1021 HydrophobicContact CD1-CG 4.31Å; I969-L1021 HydrophobicContact CG1-CD1 4.27Å |
| 970 | Y | 96.3 | Very high | 95.5 | Very high | 11 Ų | 11 | 50 Ų | 50 | 4% | 0.043 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 152.3 | 174.8 | -78 | -93.6 | 0 | 0 | 0 | 111 | R958 I959 V961 R968 L977 L978 R979 | R958-Y970 WeakPolarHBondContact CB-O 3.2Å; I959-Y970 WeakPolarHBondContact CG1-O 3.49Å; I959-Y970 PolarHBondContact N-O 2.9Å; I959-Y970 VanDerWaalsContact N-O 3.14Å; I959-Y970 PolarHBondContact O-N 2.95Å; V961-Y970 HydrophobicContact CB-CD2 4.1Å; V961-Y970 HydrophobicContact CB-CE2 4.23Å; V961-Y970 HydrophobicContact CG2-CD2 3.91Å; V961-Y970 HydrophobicContact CG2-CE2 4.44Å; R968-Y970 HydrophobicContact CB-CD2 3.82Å; R968-Y970 HydrophobicContact CB-CE2 3.44Å; R968-Y970 VanDerWaalsContact CB-CE2 3.44Å; R968-Y970 WeakPolarHBondContact CD-OH 3.02Å; R968-Y970 HydrophobicContact CG-CE2 4.15Å; R968-Y970 PolarHBondContact NH1-OH 3.08Å; Y970-L977 HydrophobicContact CD1-CB 3.56Å; Y970-L977 HydrophobicContact CE1-CB 4.24Å; Y970-L977 HydrophobicContact CG-CB 4.23Å; Y970-L978 WeakPolarHBondContact CA-O 3.49Å; Y970-R979 HydrophobicContact CD1-CB 4.24Å; Y970-R979 HydrophobicContact CE1-CB 3.9Å |
| 971 | D | 95.3 | Very high | 95.3 | Very high | 33 Ų | 33 | 50.4 Ų | 50.4 | 18% | 0.176 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 152.2 | 176.2 | -162.9 | 0.2 | 0 | 0 | 0 | 109.6 | N898 R958 G973 L978 K980 | N898-D971 PolarHBondContact ND2-OD1 2.75Å; R958-D971 HydrophobicContact CG-CB 4.38Å; D971-G973 PolarHBondContact O-N 2.89Å; D971-L978 PolarHBondContact N-O 2.93Å; D971-L978 PolarHBondContact O-N 2.89Å; D971-K980 HydrophobicContact CB-CD 4.33Å; D971-K980 VanDerWaalsContact CB-CE 3.43Å; D971-K980 HydrophobicContact CB-CG 3.89Å; D971-K980 WeakPolarHBondContact OD2-CE 3.46Å; D971-K980 IonicContact OD2-NZ 3.57Å |
| 972 | M | 94.6 | Very high | 95.2 | Very high | 15 Ų | 15 | 52.9 Ų | 52.9 | 7% | 0.074 | 24% | 0.238 | C | C | . | . | trans | -68.5 | 130.3 | -176.2 | 179.9 | 63.1 | 72.5 | 0 | 0 | 110.9 | F896 N898 T899 Y904 T927 L977 | F896-M972 HydrophobicContact CB-CB 4.01Å; F896-M972 HydrophobicContact CD1-CB 3.69Å; F896-M972 HydrophobicContact CD2-CB 3.93Å; F896-M972 HydrophobicContact CD2-CE 3.44Å; F896-M972 VanDerWaalsContact CD2-CE 3.44Å; F896-M972 HydrophobicContact CD2-CG 4.38Å; F896-M972 HydrophobicContact CE1-CB 4.06Å; F896-M972 HydrophobicContact CE2-CB 4.29Å; F896-M972 HydrophobicContact CE2-CE 3.24Å; F896-M972 HydrophobicContact CG-CB 3.6Å; F896-M972 HydrophobicContact CG-CE 4.32Å; F896-M972 HydrophobicContact CG-CG 4.43Å; F896-M972 HydrophobicContact CZ-CB 4.35Å; F896-M972 HydrophobicContact CZ-CE 3.98Å; N898-M972 PolarHBondContact ND2-O 2.88Å; N898-M972 VanDerWaalsContact ND2-O 3.12Å; T899-M972 HydrophobicContact CG2-CG 3.77Å; Y904-M972 HydrophobicContact CD1-CE 3.52Å; Y904-M972 HydrophobicContact CD2-CE 4.16Å; Y904-M972 HydrophobicContact CE1-CE 3.86Å; Y904-M972 HydrophobicContact CE2-CE 4.47Å; Y904-M972 HydrophobicContact CG-CE 3.67Å; T927-M972 HydrophobicContact CG2-CE 3.55Å; T927-M972 HydrophobicContact CG2-SD 4.15Å; M972-L977 HydrophobicContact SD-CD2 4.3Å | ||
| 973 | G | 92.8 | Very high | 95 | Very high | 13 Ų | 13 | 53.3 Ų | 53.3 | 13% | 0.134 | 24% | 0.24 | C | C | . | . | trans | -129.8 | 154.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | H941 D971 K975 K976 | H941-G973 PolarHBondContact CE1-O 2.91Å; H941-G973 PolarHBondContact ND1-O 2.92Å; D971-G973 PolarHBondContact O-N 2.89Å; G973-K975 VanDerWaalsContact C-N 3.28Å; G973-K975 PolarHBondContact O-N 3.16Å; G973-K976 CarbonylContact C-O 3.59Å; G973-K976 VanDerWaalsContact CA-O 3.26Å; G973-K976 WeakPolarHBondContact CA-O 3.39Å; G973-K976 PolarHBondContact N-O 3.22Å | ||
| 974 | K | 90.1 | Very high | 94.8 | Very high | 209 Ų | 209 | 59.2 Ų | 59.2 | 91% | 0.909 | 27% | 0.266 | S | S | * | . | S | Bend | trans | -63.8 | -28.8 | -175.3 | -65.7 | -172 | 177.5 | -174.1 | 0 | 114.4 | ||
| 975 | K | 92.4 | Very high | 94.6 | Very high | 188 Ų | 188 | 64.6 Ų | 64.6 | 82% | 0.817 | 29% | 0.291 | S | S | * | . | S | Bend | trans | -111.3 | -27.7 | -177.2 | -67 | -171.6 | 176.4 | -173.6 | 0 | 114 | H941 G973 | H941-K975 WeakPolarHBondContact CB-O 3.44Å; G973-K975 VanDerWaalsContact C-N 3.28Å; G973-K975 PolarHBondContact O-N 3.16Å |
| 976 | K | 95.4 | Very high | 94.4 | Very high | 118 Ų | 118 | 59.6 Ų | 59.6 | 51% | 0.513 | 27% | 0.269 | S | S | . | . | S | Bend | trans | -164.8 | 161.2 | -177.5 | 64.7 | 178 | -176.8 | 177.9 | 0 | 109.8 | H941 T943 G973 L978 | H941-K976 WeakPolarHBondContact NE2-CA 3.48Å; T943-K976 HydrophobicContact CG2-CB 4.12Å; T943-K976 WeakPolarHBondContact OG1-CA 3.25Å; G973-K976 CarbonylContact C-O 3.59Å; G973-K976 VanDerWaalsContact CA-O 3.26Å; G973-K976 WeakPolarHBondContact CA-O 3.39Å; G973-K976 PolarHBondContact N-O 3.22Å; K976-L978 HydrophobicContact CG-CD2 4.38Å |
| 977 | L | 96.6 | Very high | 94.2 | Very high | 5 Ų | 5 | 61 Ų | 61 | 3% | 0.026 | 28% | 0.28 | C | S | . | . | trans | -69 | 134.3 | 170.3 | -63.9 | 172.2 | 0 | 0 | 0 | 110.5 | L906 I925 H941 T943 I959 Y970 M972 | L906-L977 HydrophobicContact CD2-CD1 4Å; I925-L977 HydrophobicContact CB-CD1 4.06Å; I925-L977 HydrophobicContact CD1-CD1 4.26Å; I925-L977 HydrophobicContact CG2-CD1 3.54Å; H941-L977 PolarHBondContact NE2-N 2.79Å; T943-L977 HydrophobicContact CG2-CB 4.28Å; T943-L977 PolarHBondContact OG1-N 2.62Å; I959-L977 HydrophobicContact CD1-CD1 3.8Å; I959-L977 HydrophobicContact CD1-CD2 4.34Å; Y970-L977 HydrophobicContact CD1-CB 3.56Å; Y970-L977 HydrophobicContact CE1-CB 4.24Å; Y970-L977 HydrophobicContact CG-CB 4.23Å; M972-L977 HydrophobicContact SD-CD2 4.3Å | ||
| 978 | L | 96 | Very high | 94 | Very high | 76 Ų | 76 | 64.4 Ų | 64.4 | 40% | 0.398 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 115.8 | -177.1 | -59.7 | 179.2 | 0 | 0 | 0 | 110.2 | Y970 D971 K976 K980 | Y970-L978 WeakPolarHBondContact CA-O 3.49Å; D971-L978 PolarHBondContact N-O 2.93Å; D971-L978 PolarHBondContact O-N 2.89Å; K976-L978 HydrophobicContact CG-CD2 4.38Å; L978-K980 PolarHBondContact O-N 2.75Å |
| 979 | R | 96.1 | Very high | 93.9 | Very high | 140 Ų | 140 | 65.1 Ų | 65.1 | 53% | 0.528 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.2 | 125.5 | 174.1 | -173.8 | -179 | 66.7 | -169.6 | -6.9 | 110.1 | R968 Y970 E982 | R968-R979 HydrophobicContact CG-CG 4.44Å; Y970-R979 HydrophobicContact CD1-CB 4.24Å; Y970-R979 HydrophobicContact CE1-CB 3.9Å; R979-E982 WeakPolarHBondContact CD-OE2 3.33Å; R979-E982 IonicContact CZ-OE2 3.52Å; R979-E982 IonicContact NE-OE2 3.75Å; R979-E982 IonicContact NH1-OE1 2.56Å; R979-E982 IonicContact NH1-OE2 2.9Å; R979-E982 PolarHBondContact NH1-OE2 2.89Å |
| 980 | K | 94.5 | Very high | 93.9 | Very high | 95 Ų | 95 | 65.1 Ų | 65.1 | 41% | 0.413 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | -35.9 | 179.4 | -61.3 | -61.5 | -176.1 | 173 | 0 | 113.4 | I969 D971 L978 | I969-K980 HydrophobicContact CG2-CB 4.37Å; I969-K980 PolarHBondContact O-N 2.78Å; D971-K980 HydrophobicContact CB-CD 4.33Å; D971-K980 VanDerWaalsContact CB-CE 3.43Å; D971-K980 HydrophobicContact CB-CG 3.89Å; D971-K980 WeakPolarHBondContact OD2-CE 3.46Å; D971-K980 IonicContact OD2-NZ 3.57Å; L978-K980 PolarHBondContact O-N 2.75Å |
| 981 | C | 93.9 | Very high | 93.8 | Very high | 10 Ų | 10 | 66.5 Ų | 66.5 | 7% | 0.068 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 154.2 | -178.9 | -179.3 | 0 | 0 | 0 | 0 | 109.2 | R968 I969 N1019 L1021 | R968-C981 WeakPolarHBondContact CA-O 3.34Å; I969-C981 HydrophobicContact CB-CB 4.01Å; I969-C981 HydrophobicContact CD1-CB 3.99Å; I969-C981 HydrophobicContact CG1-CB 4.19Å; I969-C981 PolarHBondContact N-O 3.37Å; I969-C981 PolarHBondContact O-N 3.43Å; C981-N1019 WeakPolarHBondContact CB-O 3.42Å; C981-N1019 PolarHBondContact SG-O 2.86Å; C981-L1021 VanDerWaalsContact SG-CG 3.59Å |
| 982 | E | 94.6 | Very high | 93.8 | Very high | 52 Ų | 52 | 65.3 Ų | 65.3 | 24% | 0.243 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 138.3 | 176.5 | -178 | 173.1 | 94.6 | 0 | 0 | 110.3 | L967 R968 R979 K984 | L967-E982 CarbonylContact O-C 3.56Å; L967-E982 WeakPolarHBondContact O-CA 3.24Å; R968-E982 HydrophobicContact CG-CB 4.24Å; R968-E982 HydrophobicContact CG-CG 4.03Å; R968-E982 IonicContact CZ-OE2 3.69Å; R968-E982 IonicContact NE-OE2 2.69Å; R968-E982 PolarHBondContact NE-OE2 2.85Å; R968-E982 IonicContact NH2-OE2 3.66Å; R968-E982 PolarHBondContact NH2-OE2 3.03Å; R979-E982 WeakPolarHBondContact CD-OE2 3.33Å; R979-E982 IonicContact CZ-OE2 3.52Å; R979-E982 IonicContact NE-OE2 3.75Å; R979-E982 IonicContact NH1-OE1 2.56Å; R979-E982 IonicContact NH1-OE2 2.9Å; R979-E982 PolarHBondContact NH1-OE2 2.89Å; E982-K984 HydrophobicContact CG-CG 4.33Å; E982-K984 WeakPolarHBondContact OE1-CE 3.21Å; E982-K984 IonicContact OE1-NZ 3.05Å; E982-K984 PolarHBondContact OE1-NZ 2.99Å |
| 983 | N | 94.1 | Very high | 93.9 | Very high | 9 Ų | 9 | 65.2 Ų | 65.2 | 5% | 0.048 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 139.7 | 167.5 | -177.6 | -42.1 | 0 | 0 | 0 | 109.3 | L966 L967 H985 L1021 | L966-N983 WeakPolarHBondContact CA-O 3.39Å; L967-N983 PolarHBondContact N-O 2.86Å; L967-N983 PolarHBondContact O-N 3.08Å; N983-H985 WeakPolarHBondContact OD1-CB 3.48Å; N983-H985 PolarHBondContact OD1-N 2.99Å; N983-L1021 HydrophobicContact CB-CB 3.81Å; N983-L1021 HydrophobicContact CB-CD1 4.31Å; N983-L1021 PolarHBondContact ND2-O 2.62Å |
| 984 | K | 93.1 | Very high | 94.1 | Very high | 123 Ų | 123 | 67.2 Ų | 67.2 | 54% | 0.535 | 31% | 0.311 | S | S | . | . | trans | -119.5 | 4.7 | -175.6 | -45.2 | -169.8 | 173.1 | 172.5 | 0 | 114.2 | L966 E982 V986 | L966-K984 HydrophobicContact CD2-CB 3.89Å; L966-K984 HydrophobicContact CD2-CD 3.95Å; L966-K984 HydrophobicContact CD2-CG 3.51Å; E982-K984 HydrophobicContact CG-CG 4.33Å; E982-K984 WeakPolarHBondContact OE1-CE 3.21Å; E982-K984 IonicContact OE1-NZ 3.05Å; E982-K984 PolarHBondContact OE1-NZ 2.99Å; K984-V986 VanDerWaalsContact C-N 3.33Å | ||
| 985 | H | 89.5 | Confident | 94.3 | Very high | 114 Ų | 114 | 59.4 Ų | 59.4 | 53% | 0.528 | 28% | 0.281 | S | S | . | . | trans | -87.9 | 0.8 | -173.1 | -58.8 | 159 | 0 | 0 | 0 | 112.9 | N983 I1023 E1068 | N983-H985 WeakPolarHBondContact OD1-CB 3.48Å; N983-H985 PolarHBondContact OD1-N 2.99Å; H985-I1023 HydrophobicContact CB-CD1 3.78Å; H985-E1068 IonicContact CE1-OE1 3.19Å; H985-E1068 IonicContact CE1-OE2 3.03Å; H985-E1068 IonicContact ND1-OE1 2.76Å; H985-E1068 PolarHBondContact ND1-OE1 3.2Å; H985-E1068 IonicContact ND1-OE2 3.84Å | ||
| 986 | V | 91.4 | Very high | 94.3 | Very high | 3 Ų | 3 | 52.8 Ų | 52.8 | 2% | 0.018 | 25% | 0.254 | C | S | . | . | trans | -69.9 | 136.7 | 169.3 | -175.1 | 0 | 0 | 0 | 0 | 108.9 | K965 K984 V990 V1002 I1023 | K965-V986 WeakPolarHBondContact O-CB 3.43Å; K984-V986 VanDerWaalsContact C-N 3.33Å; V986-V990 HydrophobicContact CG1-CG2 4.1Å; V986-V1002 HydrophobicContact CG1-CG1 4.49Å; V986-V1002 HydrophobicContact CG2-CG1 4.45Å; V986-I1023 HydrophobicContact CG2-CD1 4.41Å | ||
| 987 | P | 90.5 | Very high | 93.8 | Very high | 55 Ų | 55 | 49.9 Ų | 49.9 | 36% | 0.357 | 26% | 0.258 | S | S | . | . | trans | -66.4 | -56.2 | -168.6 | -24.9 | 35.8 | 0 | 0 | 0 | 115.7 | E1007 F1010 | P987-E1007 HydrophobicContact CB-CB 4.48Å; P987-E1007 HydrophobicContact CB-CG 4.09Å; P987-E1007 HydrophobicContact CG-CB 4.15Å; P987-E1007 HydrophobicContact CG-CG 4.2Å; P987-F1010 HydrophobicContact CG-CE1 4.15Å; P987-F1010 HydrophobicContact CG-CE2 4.13Å; P987-F1010 HydrophobicContact CG-CZ 3.52Å | ||
| 988 | N | 93 | Very high | 93.3 | Very high | 73 Ų | 73 | 54.5 Ų | 54.5 | 39% | 0.39 | 28% | 0.279 | S | S | . | . | S | Bend | trans | -121 | -69.6 | -164.8 | -61 | -62.9 | 0 | 0 | 0 | 113.6 | K965 D1004 V1005 E1007 | K965-N988 WeakPolarHBondContact CB-O 3.48Å; N988-D1004 WeakPolarHBondContact CA-OD2 3.39Å; N988-D1004 WeakPolarHBondContact CB-OD2 3.47Å; N988-D1004 PolarHBondContact N-OD2 3.43Å; N988-D1004 PolarHBondContact ND2-OD1 3Å; N988-V1005 HydrophobicContact CB-CG1 3.94Å; N988-E1007 WeakPolarHBondContact ND2-CG 3.49Å |
| 989 | L | 94.5 | Very high | 93.1 | Very high | 25 Ų | 25 | 51.5 Ų | 51.5 | 13% | 0.131 | 26% | 0.262 | C | S | . | . | trans | -160.1 | 124.8 | -170.6 | 178.5 | 64.8 | 0 | 0 | 0 | 109.6 | L950 T991 D1004 V1005 | L950-L989 HydrophobicContact CD1-CD1 3.84Å; L950-L989 HydrophobicContact CD1-CD2 3.69Å; L950-L989 HydrophobicContact CD1-CG 3.81Å; L989-T991 PolarHBondContact O-N 2.88Å; L989-D1004 PolarHBondContact N-OD2 3.18Å; L989-D1004 VanDerWaalsContact N-OD2 3.08Å; L989-D1004 CarbonylContact O-C 3.56Å; L989-D1004 WeakPolarHBondContact O-CA 3.28Å; L989-V1005 HydrophobicContact CB-CB 4.1Å; L989-V1005 HydrophobicContact CB-CG1 3.75Å; L989-V1005 HydrophobicContact CD2-CB 4.45Å; L989-V1005 PolarHBondContact O-N 3.49Å | ||
| 990 | V | 96.4 | Very high | 93.1 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 116.9 | 177.6 | 179.4 | 0 | 0 | 0 | 0 | 109.6 | L950 A951 G964 V986 I993 V1002 S1003 | L950-V990 WeakPolarHBondContact CB-O 3.46Å; A951-V990 HydrophobicContact CB-CG1 4.01Å; G964-V990 PolarHBondContact O-N 2.83Å; V986-V990 HydrophobicContact CG1-CG2 4.1Å; V990-I993 HydrophobicContact CG1-CD1 4.08Å; V990-I993 HydrophobicContact CG1-CG1 3.75Å; V990-V1002 HydrophobicContact CB-CG1 4.33Å; V990-V1002 HydrophobicContact CG1-CG1 3.76Å; V990-V1002 HydrophobicContact CG2-CG1 3.82Å; V990-S1003 WeakPolarHBondContact CA-O 3.42Å |
| 991 | T | 94.8 | Very high | 93.2 | Very high | 40 Ų | 40 | 40.4 Ų | 40.4 | 25% | 0.245 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | -26.8 | 177.2 | 56 | 0 | 0 | 0 | 0 | 112.8 | L989 S1003 V1005 | L989-T991 PolarHBondContact O-N 2.88Å; T991-S1003 PolarHBondContact N-O 3.29Å; T991-S1003 PolarHBondContact OG1-O 3.46Å; T991-V1005 HydrophobicContact CG2-CB 3.63Å; T991-V1005 HydrophobicContact CG2-CG2 3.91Å |
| 992 | G | 95.4 | Very high | 93.3 | Very high | 8 Ų | 8 | 39.9 Ų | 39.9 | 8% | 0.082 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.8 | 149.5 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | S1003 | G992-S1003 PolarHBondContact O-N 2.85Å |
| 993 | I | 97.3 | Very high | 93.4 | Very high | 14 Ų | 14 | 37.5 Ų | 37.5 | 7% | 0.072 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 130.2 | 176 | -60.7 | 166.3 | 0 | 0 | 0 | 108.2 | A951 A953 L960 L967 V990 T995 V1000 I1001 | A951-I993 HydrophobicContact CB-CB 4.3Å; A951-I993 HydrophobicContact CB-CD1 3.72Å; A951-I993 HydrophobicContact CB-CG1 3.69Å; A953-I993 HydrophobicContact CB-CB 3.99Å; A953-I993 HydrophobicContact CB-CG2 3.74Å; L960-I993 HydrophobicContact CB-CD1 4.45Å; L960-I993 HydrophobicContact CB-CG2 4.19Å; L960-I993 HydrophobicContact CD1-CG2 4.24Å; L967-I993 HydrophobicContact CD1-CD1 3.52Å; L967-I993 HydrophobicContact CD1-CG1 4.14Å; V990-I993 HydrophobicContact CG1-CD1 4.08Å; V990-I993 HydrophobicContact CG1-CG1 3.75Å; I993-T995 HydrophobicContact CG2-CG2 4.4Å; I993-V1000 HydrophobicContact CG2-CG1 3.83Å; I993-I1001 WeakPolarHBondContact CA-O 3.49Å |
| 994 | Y | 96.3 | Very high | 93.5 | Very high | 55 Ų | 55 | 37 Ų | 37 | 22% | 0.216 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 144.9 | 179.3 | -53 | -90.5 | 0 | 0 | 0 | 109.3 | V1000 I1001 A1036 M1044 | Y994-V1000 WeakPolarHBondContact O-CA 3.39Å; Y994-I1001 PolarHBondContact N-O 2.91Å; Y994-I1001 PolarHBondContact O-N 2.76Å; Y994-A1036 HydrophobicContact CD2-CB 4.42Å; Y994-A1036 WeakPolarHBondContact CE1-O 3.49Å; Y994-A1036 HydrophobicContact CE2-CB 3.74Å; Y994-A1036 VanDerWaalsContact CZ-O 3.24Å; Y994-A1036 PolarHBondContact OH-N 3.4Å; Y994-A1036 VanDerWaalsContact OH-N 3.08Å; Y994-A1036 PolarHBondContact OH-O 3.47Å; Y994-M1044 HydrophobicContact CD1-CE 3.99Å; Y994-M1044 HydrophobicContact CD2-CE 3.39Å; Y994-M1044 HydrophobicContact CE1-CE 4.39Å; Y994-M1044 HydrophobicContact CE2-CE 3.87Å; Y994-M1044 HydrophobicContact CG-CE 3.47Å; Y994-M1044 VanDerWaalsContact CG-CE 3.47Å |
| 995 | T | 94.9 | Very high | 93.6 | Very high | 44 Ų | 44 | 33.3 Ų | 33.3 | 27% | 0.27 | 19% | 0.189 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 137 | -172.2 | 61.1 | 0 | 0 | 0 | 0 | 111 | A953 P954 F955 L960 I993 V1000 | A953-T995 HydrophobicContact CB-CG2 4.32Å; P954-T995 PolarHBondContact O-OG1 3.34Å; F955-T995 HydrophobicContact CB-CG2 4.18Å; F955-T995 HydrophobicContact CD2-CG2 3.75Å; F955-T995 HydrophobicContact CG-CG2 4.24Å; L960-T995 HydrophobicContact CD1-CG2 3.68Å; I993-T995 HydrophobicContact CG2-CG2 4.4Å; T995-V1000 HydrophobicContact CG2-CG1 4.49Å; T995-V1000 HydrophobicContact CG2-CG2 4.35Å |
| 996 | I | 92.7 | Very high | 93.9 | Very high | 50 Ų | 50 | 30.9 Ų | 30.9 | 26% | 0.256 | 18% | 0.178 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 116 | 173.7 | -167 | 163.6 | 0 | 0 | 0 | 110.1 | Q998 R999 L1038 Y1041 | I996-Q998 PolarHBondContact O-N 2.87Å; I996-R999 HydrophobicContact CG2-CB 4.26Å; I996-R999 PolarHBondContact N-O 3.39Å; I996-R999 PolarHBondContact O-N 3.08Å; I996-L1038 HydrophobicContact CB-CD1 4.43Å; I996-L1038 HydrophobicContact CB-CD2 3.92Å; I996-L1038 HydrophobicContact CD1-CD2 4.19Å; I996-L1038 HydrophobicContact CG2-CD2 3.66Å; I996-Y1041 HydrophobicContact CD1-CD2 4.28Å; I996-Y1041 HydrophobicContact CG1-CD2 4.08Å; I996-Y1041 HydrophobicContact CG2-CD2 3.87Å; I996-Y1041 HydrophobicContact CG2-CE2 4.14Å |
| 997 | G | 85.3 | Confident | 94.1 | Very high | 57 Ų | 57 | 33.9 Ų | 33.9 | 59% | 0.588 | 19% | 0.191 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56.4 | -105.5 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q956 | Q956-G997 PolarHBondContact NE2-O 3.4Š|
| 998 | Q | 84.5 | Confident | 94.3 | Very high | 101 Ų | 101 | 31.2 Ų | 31.2 | 47% | 0.472 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -105.1 | -6.8 | 178.9 | -61.9 | -173.2 | -1.5 | 0 | 0 | 114.1 | I996 Y1014 | I996-Q998 PolarHBondContact O-N 2.87Å; Q998-Y1014 PolarHBondContact O-N 2.92Å |
| 999 | R | 91.7 | Very high | 94.4 | Very high | 13 Ų | 13 | 27.8 Ų | 27.8 | 5% | 0.049 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 144.9 | -179.5 | -69.6 | 177.3 | 178.5 | 174.6 | -4.2 | 110.5 | I996 F1024 Y1041 D1042 D1064 | I996-R999 HydrophobicContact CG2-CB 4.26Å; I996-R999 PolarHBondContact N-O 3.39Å; I996-R999 PolarHBondContact O-N 3.08Å; R999-F1024 HydrophobicContact CG-CE1 4.48Å; R999-F1024 HydrophobicContact CG-CZ 4.37Å; R999-Y1041 HydrophobicContact CG-CE2 4.31Å; R999-Y1041 PolarHBondContact NE-OH 2.96Å; R999-Y1041 PolarHBondContact NH1-O 3.35Å; R999-D1042 IonicContact CZ-OD1 3.75Å; R999-D1042 IonicContact NH1-OD1 3.3Å; R999-D1042 PolarHBondContact NH1-OD1 3.46Å; R999-D1042 IonicContact NH2-OD1 2.65Å; R999-D1064 IonicContact CZ-OD1 4Å; R999-D1064 IonicContact CZ-OD2 3.47Å; R999-D1064 IonicContact NE-OD1 3.3Å; R999-D1064 PolarHBondContact NE-OD1 3.46Å; R999-D1064 IonicContact NE-OD2 3.7Å; R999-D1064 PolarHBondContact NE-OD2 2.63Å; R999-D1064 IonicContact NH2-OD1 2.8Å; R999-D1064 PolarHBondContact NH2-OD1 3.02Å; R999-D1064 IonicContact NH2-OD2 3.58Å |
| 1000 | V | 96.1 | Very high | 94.5 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 127.1 | 173.7 | 179.7 | 0 | 0 | 0 | 0 | 106.6 | F955 L960 L967 I993 Y994 T995 V1002 V1012 | F955-V1000 HydrophobicContact CD2-CG2 4.41Å; F955-V1000 HydrophobicContact CE1-CG2 4.32Å; F955-V1000 HydrophobicContact CE2-CG2 4.05Å; F955-V1000 HydrophobicContact CZ-CG2 4Å; L960-V1000 HydrophobicContact CD1-CB 4.29Å; L960-V1000 HydrophobicContact CD1-CG1 3.72Å; L960-V1000 HydrophobicContact CD1-CG2 3.53Å; L967-V1000 HydrophobicContact CD2-CG1 4.28Å; I993-V1000 HydrophobicContact CG2-CG1 3.83Å; Y994-V1000 WeakPolarHBondContact O-CA 3.39Å; T995-V1000 HydrophobicContact CG2-CG1 4.49Å; T995-V1000 HydrophobicContact CG2-CG2 4.35Å; V1000-V1002 HydrophobicContact CG1-CG2 4.2Å; V1000-V1012 HydrophobicContact CB-CB 4.18Å; V1000-V1012 PolarHBondContact N-O 2.94Å; V1000-V1012 WeakPolarHBondContact O-CA 3.44Å; V1000-V1012 PolarHBondContact O-N 2.84Å |
| 1001 | I | 96.3 | Very high | 94.4 | Very high | 2 Ų | 2 | 27.2 Ų | 27.2 | 1% | 0.01 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 125.6 | 176.9 | -55.3 | 170.1 | 0 | 0 | 0 | 106.8 | I993 Y994 L1009 F1010 L1038 M1044 | I993-I1001 WeakPolarHBondContact CA-O 3.49Å; Y994-I1001 PolarHBondContact N-O 2.91Å; Y994-I1001 PolarHBondContact O-N 2.76Å; I1001-L1009 HydrophobicContact CG2-CD2 4.38Å; I1001-F1010 WeakPolarHBondContact CA-O 3.33Å; I1001-L1038 HydrophobicContact CD1-CD2 3.47Å; I1001-L1038 VanDerWaalsContact CD1-CD2 3.47Å; I1001-L1038 HydrophobicContact CD1-CG 4.23Å; I1001-M1044 HydrophobicContact CD1-SD 3.74Å; I1001-M1044 HydrophobicContact CG2-CE 4.47Å; I1001-M1044 HydrophobicContact CG2-CG 4.38Å; I1001-M1044 HydrophobicContact CG2-SD 4.28Å |
| 1002 | V | 97.1 | Very high | 94.4 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 131.2 | -177.5 | -175.4 | 0 | 0 | 0 | 0 | 108.4 | L967 V986 V990 V1000 L1009 F1010 V1012 | L967-V1002 HydrophobicContact CD1-CG2 4.44Å; L967-V1002 HydrophobicContact CD2-CG2 3.8Å; V986-V1002 HydrophobicContact CG1-CG1 4.49Å; V986-V1002 HydrophobicContact CG2-CG1 4.45Å; V990-V1002 HydrophobicContact CB-CG1 4.33Å; V990-V1002 HydrophobicContact CG1-CG1 3.76Å; V990-V1002 HydrophobicContact CG2-CG1 3.82Å; V1000-V1002 HydrophobicContact CG1-CG2 4.2Å; V1002-L1009 WeakPolarHBondContact O-CA 3.33Å; V1002-F1010 HydrophobicContact CB-CB 4.36Å; V1002-F1010 PolarHBondContact N-O 3.17Å; V1002-F1010 PolarHBondContact O-N 3.48Å; V1002-V1012 HydrophobicContact CG2-CG2 3.85Å |
| 1003 | S | 97.1 | Very high | 94.3 | Very high | 1 Ų | 1 | 26.6 Ų | 26.6 | 1% | 0.007 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 122.5 | 170.7 | -56 | 0 | 0 | 0 | 0 | 109.2 | V990 T991 G992 L1009 | V990-S1003 WeakPolarHBondContact CA-O 3.42Å; T991-S1003 PolarHBondContact N-O 3.29Å; T991-S1003 PolarHBondContact OG1-O 3.46Å; G992-S1003 PolarHBondContact O-N 2.85Å; S1003-L1009 WeakPolarHBondContact OG-CD2 3.31Å |
| 1004 | D | 96.5 | Very high | 94 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 150.7 | 168.9 | -173.2 | -90.6 | 0 | 0 | 0 | 109.8 | N988 L989 Q1006 E1007 S1008 F1010 | N988-D1004 WeakPolarHBondContact CA-OD2 3.39Å; N988-D1004 WeakPolarHBondContact CB-OD2 3.47Å; N988-D1004 PolarHBondContact N-OD2 3.43Å; N988-D1004 PolarHBondContact ND2-OD1 3Å; L989-D1004 PolarHBondContact N-OD2 3.18Å; L989-D1004 VanDerWaalsContact N-OD2 3.08Å; L989-D1004 CarbonylContact O-C 3.56Å; L989-D1004 WeakPolarHBondContact O-CA 3.28Å; D1004-Q1006 PolarHBondContact O-N 2.88Å; D1004-Q1006 PolarHBondContact OD1-N 2.81Å; D1004-E1007 HydrophobicContact CB-CB 4.32Å; D1004-E1007 PolarHBondContact OD1-N 3.24Å; D1004-S1008 PolarHBondContact N-O 3.48Å; D1004-F1010 HydrophobicContact CB-CD2 4.2Å; D1004-F1010 HydrophobicContact CB-CE2 3.76Å |
| 1005 | V | 95.5 | Very high | 93.7 | Very high | 44 Ų | 44 | 25.4 Ų | 25.4 | 27% | 0.267 | 14% | 0.137 | S | C | . | . | S | Bend | trans | -61.7 | -24.8 | 178.5 | 71.7 | 0 | 0 | 0 | 0 | 113.5 | N988 L989 T991 W1032 | N988-V1005 HydrophobicContact CB-CG1 3.94Å; L989-V1005 HydrophobicContact CB-CB 4.1Å; L989-V1005 HydrophobicContact CB-CG1 3.75Å; L989-V1005 HydrophobicContact CD2-CB 4.45Å; L989-V1005 PolarHBondContact O-N 3.49Å; T991-V1005 HydrophobicContact CG2-CB 3.63Å; T991-V1005 HydrophobicContact CG2-CG2 3.91Å; V1005-W1032 VanDerWaalsContact O-CA 3.25Å; V1005-W1032 WeakPolarHBondContact O-CA 3.5Å; V1005-W1032 VanDerWaalsContact O-CE3 3.32Å |
| 1006 | Q | 95.4 | Very high | 93.3 | Very high | 64 Ų | 64 | 32.1 Ų | 32.1 | 30% | 0.299 | 16% | 0.158 | S | C | . | . | S | Bend | trans | -134.4 | -36.6 | -174 | -176.3 | -175.4 | -57.4 | 0 | 0 | 113.4 | D1004 S1008 P1030 R1031 W1032 | D1004-Q1006 PolarHBondContact O-N 2.88Å; D1004-Q1006 PolarHBondContact OD1-N 2.81Å; Q1006-S1008 PolarHBondContact O-N 3.29Å; Q1006-P1030 CarbonylContact O-C 3.56Å; Q1006-P1030 WeakPolarHBondContact O-CA 3.45Å; Q1006-R1031 CarbonylContact C-O 3.43Å; Q1006-R1031 CarbonylContact O-C 3.59Å; Q1006-R1031 VanDerWaalsContact O-C 3.29Å; Q1006-R1031 PolarHBondContact O-N 2.91Å; Q1006-W1032 HydrophobicContact CB-CD2 4.42Å; Q1006-W1032 HydrophobicContact CB-CE3 4.19Å; Q1006-W1032 HydrophobicContact CB-CH2 4.25Å; Q1006-W1032 HydrophobicContact CB-CZ2 4.48Å; Q1006-W1032 HydrophobicContact CB-CZ3 4.1Å; Q1006-W1032 HydrophobicContact CG-CD2 4.26Å; Q1006-W1032 HydrophobicContact CG-CE3 4.38Å; Q1006-W1032 HydrophobicContact CG-CH2 3.86Å; Q1006-W1032 HydrophobicContact CG-CZ2 3.7Å; Q1006-W1032 HydrophobicContact CG-CZ3 4.19Å; Q1006-W1032 VanDerWaalsContact OE1-CH2 3.25Å |
| 1007 | E | 94.3 | Very high | 93.1 | Very high | 65 Ų | 65 | 37.5 Ų | 37.5 | 30% | 0.304 | 19% | 0.187 | S | C | . | . | B | Isolated β-bridge | trans | -97.6 | 32.2 | -171.8 | -61.5 | -59.7 | 147.7 | 0 | 0 | 113.4 | P987 N988 D1004 F1010 | P987-E1007 HydrophobicContact CB-CB 4.48Å; P987-E1007 HydrophobicContact CB-CG 4.09Å; P987-E1007 HydrophobicContact CG-CB 4.15Å; P987-E1007 HydrophobicContact CG-CG 4.2Å; N988-E1007 WeakPolarHBondContact ND2-CG 3.49Å; D1004-E1007 HydrophobicContact CB-CB 4.32Å; D1004-E1007 PolarHBondContact OD1-N 3.24Å; E1007-F1010 HydrophobicContact CB-CE2 3.96Å; E1007-F1010 HydrophobicContact CB-CZ 3.9Å; E1007-F1010 VanDerWaalsContact O-CE2 3.23Å; E1007-F1010 WeakPolarHBondContact O-CE2 3.48Å |
| 1008 | S | 95.3 | Very high | 93.1 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 18% | 0.184 | C | C | . | . | trans | 62.7 | -131.7 | 173.9 | -165.1 | 0 | 0 | 0 | 0 | 114.8 | D1004 Q1006 D1027 Y1029 R1031 | D1004-S1008 PolarHBondContact N-O 3.48Å; Q1006-S1008 PolarHBondContact O-N 3.29Å; S1008-D1027 WeakPolarHBondContact CB-OD2 3.45Å; S1008-D1027 PolarHBondContact OG-OD2 3.41Å; S1008-Y1029 WeakPolarHBondContact CB-O 3.23Å; S1008-R1031 PolarHBondContact N-O 3.27Å | ||
| 1009 | L | 95.8 | Very high | 93.2 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 138.1 | -169.5 | -60.4 | 175.1 | 0 | 0 | 0 | 111.8 | I1001 V1002 S1003 W1011 D1027 A1036 M1044 V1056 | I1001-L1009 HydrophobicContact CG2-CD2 4.38Å; V1002-L1009 WeakPolarHBondContact O-CA 3.33Å; S1003-L1009 WeakPolarHBondContact OG-CD2 3.31Å; L1009-W1011 HydrophobicContact CB-CE3 4.5Å; L1009-W1011 HydrophobicContact CB-CH2 3.86Å; L1009-W1011 HydrophobicContact CB-CZ3 3.75Å; L1009-W1011 HydrophobicContact CD1-CH2 4.09Å; L1009-W1011 WeakPolarHBondContact O-CZ3 3.18Å; L1009-D1027 PolarHBondContact O-N 3.08Å; L1009-A1036 HydrophobicContact CD2-CB 4.45Å; L1009-M1044 HydrophobicContact CD1-CB 3.69Å; L1009-M1044 HydrophobicContact CD1-CG 3.6Å; L1009-V1056 HydrophobicContact CD1-CB 4.41Å; L1009-V1056 HydrophobicContact CD1-CG2 4.33Å |
| 1010 | F | 95.4 | Very high | 93.1 | Very high | 13 Ų | 13 | 41.3 Ų | 41.3 | 6% | 0.057 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 130.8 | 176.3 | -65.6 | -92.6 | 0 | 0 | 0 | 110.5 | P987 I1001 V1002 D1004 E1007 I1023 D1026 | P987-F1010 HydrophobicContact CG-CE1 4.15Å; P987-F1010 HydrophobicContact CG-CE2 4.13Å; P987-F1010 HydrophobicContact CG-CZ 3.52Å; I1001-F1010 WeakPolarHBondContact CA-O 3.33Å; V1002-F1010 HydrophobicContact CB-CB 4.36Å; V1002-F1010 PolarHBondContact N-O 3.17Å; V1002-F1010 PolarHBondContact O-N 3.48Å; D1004-F1010 HydrophobicContact CB-CD2 4.2Å; D1004-F1010 HydrophobicContact CB-CE2 3.76Å; E1007-F1010 HydrophobicContact CB-CE2 3.96Å; E1007-F1010 HydrophobicContact CB-CZ 3.9Å; E1007-F1010 VanDerWaalsContact O-CE2 3.23Å; E1007-F1010 WeakPolarHBondContact O-CE2 3.48Å; F1010-I1023 HydrophobicContact CD1-CG2 4.13Å; F1010-D1026 HydrophobicContact CD1-CB 3.64Å; F1010-D1026 HydrophobicContact CE1-CB 3.68Å |
| 1011 | W | 95.1 | Very high | 93 | Very high | 1 Ų | 1 | 41.5 Ų | 41.5 | 0% | 0.004 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 124.1 | 175.2 | -74.2 | -103.1 | 0 | 0 | 0 | 110.3 | L1009 I1023 F1024 A1025 M1044 V1056 L1058 A1089 | L1009-W1011 HydrophobicContact CB-CE3 4.5Å; L1009-W1011 HydrophobicContact CB-CH2 3.86Å; L1009-W1011 HydrophobicContact CB-CZ3 3.75Å; L1009-W1011 HydrophobicContact CD1-CH2 4.09Å; L1009-W1011 WeakPolarHBondContact O-CZ3 3.18Å; W1011-I1023 WeakPolarHBondContact O-CA 3.07Å; W1011-F1024 HydrophobicContact CB-CD1 4.32Å; W1011-F1024 HydrophobicContact CB-CE1 3.71Å; W1011-F1024 HydrophobicContact CB-CE2 4.09Å; W1011-F1024 HydrophobicContact CB-CZ 3.59Å; W1011-F1024 HydrophobicContact CG-CZ 4.31Å; W1011-F1024 WeakPolarHBondContact O-CD1 3.43Å; W1011-F1024 PolarHBondContact O-N 3.19Å; W1011-A1025 HydrophobicContact CB-CB 4.16Å; W1011-A1025 PolarHBondContact N-O 3.49Å; W1011-M1044 HydrophobicContact CZ2-CB 4.29Å; W1011-V1056 HydrophobicContact CH2-CB 4.02Å; W1011-V1056 HydrophobicContact CH2-CG1 3.61Å; W1011-V1056 HydrophobicContact CZ2-CG1 4.47Å; W1011-V1056 HydrophobicContact CZ3-CG1 4.33Å; W1011-L1058 HydrophobicContact CD2-CD1 4.49Å; W1011-L1058 HydrophobicContact CD2-CD2 3.79Å; W1011-L1058 HydrophobicContact CD2-CG 4.25Å; W1011-L1058 HydrophobicContact CE3-CD2 4.2Å; W1011-L1058 HydrophobicContact CG-CD1 4.06Å; W1011-L1058 HydrophobicContact CG-CD2 4Å; W1011-L1058 HydrophobicContact CG-CG 4.33Å; W1011-L1058 HydrophobicContact CZ2-CD2 4.43Å; W1011-L1058 HydrophobicContact CZ2-CG 4.42Å; W1011-A1089 HydrophobicContact CE3-CB 4.35Å; W1011-A1089 HydrophobicContact CH2-CB 3.8Å; W1011-A1089 HydrophobicContact CZ3-CB 3.67Å |
| 1012 | V | 94.7 | Very high | 92.7 | Very high | 1 Ų | 1 | 41.5 Ų | 41.5 | 1% | 0.006 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 131.2 | -173.9 | -170.8 | 0 | 0 | 0 | 0 | 109.6 | L967 V1000 V1002 L1021 I1022 I1023 | L967-V1012 HydrophobicContact CD2-CG1 4.28Å; L967-V1012 HydrophobicContact CD2-CG2 4.42Å; V1000-V1012 HydrophobicContact CB-CB 4.18Å; V1000-V1012 PolarHBondContact N-O 2.94Å; V1000-V1012 WeakPolarHBondContact O-CA 3.44Å; V1000-V1012 PolarHBondContact O-N 2.84Å; V1002-V1012 HydrophobicContact CG2-CG2 3.85Å; V1012-L1021 HydrophobicContact CG1-CB 3.91Å; V1012-L1021 HydrophobicContact CG1-CD2 3.84Å; V1012-L1021 HydrophobicContact CG1-CG 4.46Å; V1012-I1022 CarbonylContact C-O 3.53Å; V1012-I1022 VanDerWaalsContact CA-O 3.28Å; V1012-I1022 WeakPolarHBondContact CA-O 3.42Å; V1012-I1022 WeakPolarHBondContact CG1-O 3.46Å; V1012-I1023 HydrophobicContact CG2-CG1 4.02Å |
| 1013 | R | 92.9 | Very high | 92.4 | Very high | 33 Ų | 33 | 42.5 Ų | 42.5 | 13% | 0.125 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 134.6 | 171.5 | -177.4 | -176.4 | -172.1 | 73.5 | -9.9 | 109.4 | L1021 I1022 F1024 D1064 D1065 | R1013-L1021 WeakPolarHBondContact O-CA 3.26Å; R1013-I1022 PolarHBondContact N-O 2.73Å; R1013-I1022 PolarHBondContact O-N 2.61Å; R1013-F1024 HydrophobicContact CB-CD1 4.01Å; R1013-F1024 HydrophobicContact CB-CE1 4.24Å; R1013-D1064 WeakPolarHBondContact CD-O 3.5Å; R1013-D1064 IonicContact NH1-OD2 3.69Å; R1013-D1064 PolarHBondContact NH1-OD2 3.33Å; R1013-D1065 IonicContact CZ-OD1 2.75Å; R1013-D1065 IonicContact NE-OD1 3.81Å; R1013-D1065 PolarHBondContact NE-OD1 2.99Å; R1013-D1065 VanDerWaalsContact NH2-CG 3.34Å; R1013-D1065 IonicContact NH2-OD1 3.29Å; R1013-D1065 PolarHBondContact NH2-OD1 2.83Å; R1013-D1065 IonicContact NH2-OD2 3.53Å; R1013-D1065 PolarHBondContact NH2-OD2 2.82Å |
| 1014 | Y | 92.2 | Very high | 92.1 | Very high | 6 Ų | 6 | 42.4 Ų | 42.4 | 2% | 0.024 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 114.5 | 169.3 | 173 | -112.2 | 0 | 0 | 0 | 111.2 | F955 R958 I969 Q998 R1016 N1019 L1021 | F955-Y1014 AromaticContact CE1-CD1 3.51Å; F955-Y1014 HydrophobicContact CE1-CD1 3.51Å; F955-Y1014 HydrophobicContact CE1-CE1 4.34Å; F955-Y1014 AromaticContact CE1-CG 3.73Å; F955-Y1014 HydrophobicContact CE1-CG 3.73Å; F955-Y1014 HydrophobicContact CZ-CD1 4.06Å; F955-Y1014 HydrophobicContact CZ-CG 4.3Å; R958-Y1014 VanDerWaalsContact CZ-OH 3.31Å; R958-Y1014 PolarHBondContact NH1-OH 2.82Å; R958-Y1014 PolarHBondContact NH2-OH 2.79Å; I969-Y1014 HydrophobicContact CD1-CD2 3.28Å; I969-Y1014 HydrophobicContact CD1-CE2 3.27Å; I969-Y1014 HydrophobicContact CD1-CG 3.96Å; Q998-Y1014 PolarHBondContact O-N 2.92Å; Y1014-R1016 HydrophobicContact CE1-CB 3.97Å; Y1014-R1016 HydrophobicContact CE1-CG 4.28Å; Y1014-N1019 PolarHBondContact OH-OD1 2.87Å; Y1014-L1021 HydrophobicContact CD2-CD2 4.07Å; Y1014-L1021 HydrophobicContact CD2-CG 4.36Å; Y1014-L1021 HydrophobicContact CG-CD2 4.43Å |
| 1015 | R | 89.8 | Confident | 91.9 | Very high | 39 Ų | 39 | 42.4 Ų | 42.4 | 15% | 0.147 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 108 | 173.1 | -69.1 | -170.3 | 179.2 | -174.2 | 4.6 | 110.3 | N1017 E1018 N1019 Q1020 I1022 V1066 D1067 | R1015-N1017 VanDerWaalsContact C-N 3.32Å; R1015-N1017 PolarHBondContact O-N 3.19Å; R1015-E1018 WeakPolarHBondContact CD-OE2 3.35Å; R1015-E1018 IonicContact NH1-OE2 3.17Å; R1015-E1018 PolarHBondContact O-N 2.68Å; R1015-N1019 WeakPolarHBondContact O-CA 3.37Å; R1015-N1019 PolarHBondContact O-N 2.99Å; R1015-Q1020 PolarHBondContact N-O 2.84Å; R1015-Q1020 PolarHBondContact O-N 3.24Å; R1015-I1022 HydrophobicContact CG-CD1 4.41Å; R1015-V1066 PolarHBondContact NH2-O 3.38Å; R1015-D1067 IonicContact CZ-OD1 3.85Å; R1015-D1067 IonicContact NH1-OD1 3.48Å; R1015-D1067 PolarHBondContact NH1-OD1 3.01Å; R1015-D1067 IonicContact NH2-OD1 3.81Å; R1015-D1067 PolarHBondContact NH2-OD1 3.34Å |
| 1016 | R | 85.9 | Confident | 91.8 | Very high | 185 Ų | 185 | 40.8 Ų | 40.8 | 70% | 0.698 | 19% | 0.188 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | -34.2 | -177.6 | -170.3 | 174.4 | -179.6 | 174.3 | 0.8 | 113.5 | Y1014 | Y1014-R1016 HydrophobicContact CE1-CB 3.97Å; Y1014-R1016 HydrophobicContact CE1-CG 4.28Å |
| 1017 | N | 87.8 | Confident | 91.7 | Very high | 162 Ų | 162 | 38.3 Ų | 38.3 | 87% | 0.866 | 18% | 0.176 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.3 | -38.1 | -176 | -58.4 | -3.2 | 0 | 0 | 0 | 111.8 | R1015 | R1015-N1017 VanDerWaalsContact C-N 3.32Å; R1015-N1017 PolarHBondContact O-N 3.19Å |
| 1018 | E | 85.3 | Confident | 91.6 | Very high | 112 Ų | 112 | 38.3 Ų | 38.3 | 52% | 0.523 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -102.7 | -9.1 | -174.7 | -69.2 | 160.6 | 179 | 0 | 0 | 112.6 | R1015 Q1020 | R1015-E1018 WeakPolarHBondContact CD-OE2 3.35Å; R1015-E1018 IonicContact NH1-OE2 3.17Å; R1015-E1018 PolarHBondContact O-N 2.68Å; E1018-Q1020 VanDerWaalsContact C-N 3.25Å; E1018-Q1020 HydrophobicContact CB-CB 4.18Å; E1018-Q1020 PolarHBondContact O-N 3.43Å |
| 1019 | N | 88.1 | Confident | 91.5 | Very high | 69 Ų | 69 | 43.8 Ų | 43.8 | 37% | 0.369 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 49 | 48.8 | -166.8 | -70.6 | -51.5 | 0 | 0 | 0 | 111.7 | C981 Y1014 R1015 | C981-N1019 WeakPolarHBondContact CB-O 3.42Å; C981-N1019 PolarHBondContact SG-O 2.86Å; Y1014-N1019 PolarHBondContact OH-OD1 2.87Å; R1015-N1019 WeakPolarHBondContact O-CA 3.37Å; R1015-N1019 PolarHBondContact O-N 2.99Å |
| 1020 | Q | 89.8 | Confident | 91.4 | Very high | 71 Ų | 71 | 46.8 Ų | 46.8 | 33% | 0.332 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 141 | 179.9 | -166.7 | 176 | 6.3 | 0 | 0 | 110.8 | R1015 E1018 I1022 | R1015-Q1020 PolarHBondContact N-O 2.84Å; R1015-Q1020 PolarHBondContact O-N 3.24Å; E1018-Q1020 VanDerWaalsContact C-N 3.25Å; E1018-Q1020 HydrophobicContact CB-CB 4.18Å; E1018-Q1020 PolarHBondContact O-N 3.43Å; Q1020-I1022 HydrophobicContact CG-CD1 4.49Å; Q1020-I1022 HydrophobicContact CG-CG1 3.95Å |
| 1021 | L | 92.1 | Very high | 91.4 | Very high | 3 Ų | 3 | 46.3 Ų | 46.3 | 2% | 0.016 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 121.1 | 171.5 | -75.9 | 165.9 | 0 | 0 | 0 | 107.6 | L960 L967 I969 C981 N983 V1012 R1013 Y1014 | L960-L1021 HydrophobicContact CD2-CD1 4.46Å; L967-L1021 HydrophobicContact CB-CD1 4.49Å; L967-L1021 HydrophobicContact CD2-CD1 3.87Å; L967-L1021 HydrophobicContact CD2-CD2 4.32Å; L967-L1021 HydrophobicContact CG-CD1 3.9Å; I969-L1021 HydrophobicContact CD1-CD1 4.37Å; I969-L1021 HydrophobicContact CD1-CD2 4.25Å; I969-L1021 HydrophobicContact CD1-CG 4.31Å; I969-L1021 HydrophobicContact CG1-CD1 4.27Å; C981-L1021 VanDerWaalsContact SG-CG 3.59Å; N983-L1021 HydrophobicContact CB-CB 3.81Å; N983-L1021 HydrophobicContact CB-CD1 4.31Å; N983-L1021 PolarHBondContact ND2-O 2.62Å; V1012-L1021 HydrophobicContact CG1-CB 3.91Å; V1012-L1021 HydrophobicContact CG1-CD2 3.84Å; V1012-L1021 HydrophobicContact CG1-CG 4.46Å; R1013-L1021 WeakPolarHBondContact O-CA 3.26Å; Y1014-L1021 HydrophobicContact CD2-CD2 4.07Å; Y1014-L1021 HydrophobicContact CD2-CG 4.36Å; Y1014-L1021 HydrophobicContact CG-CD2 4.43Å |
| 1022 | I | 90.6 | Very high | 91.6 | Very high | 2 Ų | 2 | 51.2 Ų | 51.2 | 1% | 0.01 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 125 | -176.7 | -57.8 | 176.8 | 0 | 0 | 0 | 108.8 | V1012 R1013 R1015 Q1020 F1024 | V1012-I1022 CarbonylContact C-O 3.53Å; V1012-I1022 VanDerWaalsContact CA-O 3.28Å; V1012-I1022 WeakPolarHBondContact CA-O 3.42Å; V1012-I1022 WeakPolarHBondContact CG1-O 3.46Å; R1013-I1022 PolarHBondContact N-O 2.73Å; R1013-I1022 PolarHBondContact O-N 2.61Å; R1015-I1022 HydrophobicContact CG-CD1 4.41Å; Q1020-I1022 HydrophobicContact CG-CD1 4.49Å; Q1020-I1022 HydrophobicContact CG-CG1 3.95Å; I1022-F1024 PolarHBondContact O-N 3.38Å |
| 1023 | I | 91.6 | Very high | 91.7 | Very high | 21 Ų | 21 | 51.5 Ų | 51.5 | 11% | 0.108 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 116.9 | 172.3 | -56 | 178.1 | 0 | 0 | 0 | 107.1 | H985 V986 F1010 W1011 V1012 A1085 | H985-I1023 HydrophobicContact CB-CD1 3.78Å; V986-I1023 HydrophobicContact CG2-CD1 4.41Å; F1010-I1023 HydrophobicContact CD1-CG2 4.13Å; W1011-I1023 WeakPolarHBondContact O-CA 3.07Å; V1012-I1023 HydrophobicContact CG2-CG1 4.02Å; I1023-A1085 HydrophobicContact CG2-CB 4.17Å |
| 1024 | F | 91.2 | Very high | 91.8 | Very high | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | -20.7 | -177.2 | 69.8 | -89.6 | 0 | 0 | 0 | 113.2 | R999 W1011 R1013 I1022 L1058 T1062 V1066 Q1087 | R999-F1024 HydrophobicContact CG-CE1 4.48Å; R999-F1024 HydrophobicContact CG-CZ 4.37Å; W1011-F1024 HydrophobicContact CB-CD1 4.32Å; W1011-F1024 HydrophobicContact CB-CE1 3.71Å; W1011-F1024 HydrophobicContact CB-CE2 4.09Å; W1011-F1024 HydrophobicContact CB-CZ 3.59Å; W1011-F1024 HydrophobicContact CG-CZ 4.31Å; W1011-F1024 WeakPolarHBondContact O-CD1 3.43Å; W1011-F1024 PolarHBondContact O-N 3.19Å; R1013-F1024 HydrophobicContact CB-CD1 4.01Å; R1013-F1024 HydrophobicContact CB-CE1 4.24Å; I1022-F1024 PolarHBondContact O-N 3.38Å; F1024-L1058 HydrophobicContact CE2-CD1 4.07Å; F1024-L1058 HydrophobicContact CZ-CD1 4.24Å; F1024-T1062 HydrophobicContact CD2-CG2 3.85Å; F1024-T1062 HydrophobicContact CE2-CG2 3.61Å; F1024-V1066 HydrophobicContact CB-CB 4.33Å; F1024-V1066 HydrophobicContact CB-CG2 3.9Å; F1024-Q1087 WeakPolarHBondContact O-CB 3.18Å; F1024-Q1087 PolarHBondContact O-NE2 3.17Å |
| 1025 | A | 92.1 | Very high | 92.1 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 153.4 | 175 | 0 | 0 | 0 | 0 | 0 | 112.6 | W1011 L1058 Q1087 | W1011-A1025 HydrophobicContact CB-CB 4.16Å; W1011-A1025 PolarHBondContact N-O 3.49Å; A1025-L1058 HydrophobicContact CB-CD2 3.65Å; A1025-Q1087 WeakPolarHBondContact CA-O 3.4Å; A1025-Q1087 HydrophobicContact CB-CB 4.08Å; A1025-Q1087 WeakPolarHBondContact CB-O 3.43Å |
| 1026 | D | 93.1 | Very high | 92.4 | Very high | 10 Ų | 10 | 51.2 Ų | 51.2 | 5% | 0.053 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 166 | 177 | 62.4 | -22 | 0 | 0 | 0 | 111.7 | F1010 G1084 A1085 Q1087 K1088 A1089 | F1010-D1026 HydrophobicContact CD1-CB 3.64Å; F1010-D1026 HydrophobicContact CE1-CB 3.68Å; D1026-G1084 VanDerWaalsContact OD2-CA 3.28Å; D1026-G1084 WeakPolarHBondContact OD2-CA 3.45Å; D1026-A1085 HydrophobicContact CB-CB 4.18Å; D1026-A1085 VanDerWaalsContact CG-N 3.31Å; D1026-A1085 VanDerWaalsContact OD1-CB 3.28Å; D1026-A1085 WeakPolarHBondContact OD1-CB 3.44Å; D1026-A1085 PolarHBondContact OD1-N 3.43Å; D1026-A1085 PolarHBondContact OD2-N 2.81Å; D1026-Q1087 PolarHBondContact N-O 3.07Å; D1026-K1088 WeakPolarHBondContact O-CA 3.29Å; D1026-K1088 WeakPolarHBondContact OD1-CD 3.23Å; D1026-K1088 WeakPolarHBondContact OD1-CE 3.47Å; D1026-K1088 IonicContact OD1-NZ 3.52Å; D1026-K1088 PolarHBondContact OD1-NZ 2.79Å; D1026-K1088 IonicContact OD2-NZ 3.84Å; D1026-K1088 PolarHBondContact OD2-NZ 2.98Å; D1026-A1089 PolarHBondContact O-N 3.42Å |
| 1027 | D | 93.7 | Very high | 92.9 | Very high | 11 Ų | 11 | 43.2 Ų | 43.2 | 6% | 0.059 | 22% | 0.22 | C | C | . | . | trans | -75.2 | 164.5 | 175.2 | -159.5 | -17.5 | 0 | 0 | 0 | 111.6 | S1008 L1009 Y1029 R1031 | S1008-D1027 WeakPolarHBondContact CB-OD2 3.45Å; S1008-D1027 PolarHBondContact OG-OD2 3.41Å; L1009-D1027 PolarHBondContact O-N 3.08Å; D1027-Y1029 PolarHBondContact OD1-N 3.32Å; D1027-R1031 VanDerWaalsContact CG-NH1 3.33Å; D1027-R1031 IonicContact OD1-NH1 3.6Å; D1027-R1031 PolarHBondContact OD1-NH1 3.47Å; D1027-R1031 IonicContact OD2-CZ 2.85Å; D1027-R1031 IonicContact OD2-NH1 2.82Å; D1027-R1031 PolarHBondContact OD2-NH1 2.93Å | ||
| 1028 | T | 91.3 | Very high | 93.3 | Very high | 66 Ų | 66 | 37.4 Ų | 37.4 | 41% | 0.405 | 19% | 0.188 | S | C | . | . | S | Bend | trans | -97.9 | -18.6 | 177 | 49.7 | 0 | 0 | 0 | 0 | 113.5 | K1088 | T1028-K1088 HydrophobicContact CG2-CB 3.79Å; T1028-K1088 HydrophobicContact CG2-CD 4Å; T1028-K1088 HydrophobicContact CG2-CG 3.93Å |
| 1029 | Y | 93.1 | Very high | 93.9 | Very high | 115 Ų | 115 | 33.2 Ų | 33.2 | 45% | 0.451 | 17% | 0.169 | S | C | . | . | S | Bend | trans | -114.1 | 141.5 | -179.5 | -58.4 | -92 | 0 | 0 | 0 | 111.3 | S1008 D1027 V1091 Y1168 | S1008-Y1029 WeakPolarHBondContact CB-O 3.23Å; D1027-Y1029 PolarHBondContact OD1-N 3.32Å; Y1029-V1091 HydrophobicContact CD2-CG2 3.87Å; Y1029-V1091 HydrophobicContact CE2-CG2 4.05Å; Y1029-Y1168 HydrophobicContact CD1-CD1 4.41Å; Y1029-Y1168 AromaticContact CD1-CE1 3.99Å; Y1029-Y1168 HydrophobicContact CD1-CE1 3.99Å; Y1029-Y1168 HydrophobicContact CG-CE1 4.28Å |
| 1030 | P | 94.8 | Very high | 94.2 | Very high | 63 Ų | 63 | 33.1 Ų | 33.1 | 41% | 0.409 | 17% | 0.169 | S | C | . | . | trans | -68.6 | 135.9 | 168.7 | 30.2 | -33.6 | 0 | 0 | 0 | 109 | Q1006 Y1168 | Q1006-P1030 CarbonylContact O-C 3.56Å; Q1006-P1030 WeakPolarHBondContact O-CA 3.45Å; P1030-Y1168 PolarHBondContact O-OH 2.77Å | ||
| 1031 | R | 95.3 | Very high | 94.3 | Very high | 2 Ų | 2 | 34.1 Ų | 34.1 | 1% | 0.008 | 17% | 0.17 | C | C | . | . | B | Isolated β-bridge | trans | -139.7 | 133.2 | 175.3 | -68.4 | -177.2 | 168.7 | 76 | 8.3 | 109.4 | Q1006 S1008 D1027 V1033 S1054 N1094 | Q1006-R1031 CarbonylContact C-O 3.43Å; Q1006-R1031 CarbonylContact O-C 3.59Å; Q1006-R1031 VanDerWaalsContact O-C 3.29Å; Q1006-R1031 PolarHBondContact O-N 2.91Å; S1008-R1031 PolarHBondContact N-O 3.27Å; D1027-R1031 VanDerWaalsContact CG-NH1 3.33Å; D1027-R1031 IonicContact OD1-NH1 3.6Å; D1027-R1031 PolarHBondContact OD1-NH1 3.47Å; D1027-R1031 IonicContact OD2-CZ 2.85Å; D1027-R1031 IonicContact OD2-NH1 2.82Å; D1027-R1031 PolarHBondContact OD2-NH1 2.93Å; R1031-V1033 VanDerWaalsContact C-N 3.25Å; R1031-V1033 HydrophobicContact CB-CG2 3.98Å; R1031-V1033 PolarHBondContact O-N 3.24Å; R1031-S1054 VanDerWaalsContact NE-CB 3.32Å; R1031-S1054 PolarHBondContact NE-OG 2.97Å; R1031-S1054 PolarHBondContact NH2-OG 2.77Å; R1031-N1094 PolarHBondContact NH2-OD1 3.08Å |
| 1032 | W | 97.6 | Very high | 94.4 | Very high | 104 Ų | 104 | 36.6 Ų | 36.6 | 39% | 0.394 | 18% | 0.184 | S | C | . | . | trans | -83.5 | 70.3 | 179 | -64.4 | 82.1 | 0 | 0 | 0 | 110.8 | V1005 Q1006 T1034 D1048 K1049 F1050 | V1005-W1032 VanDerWaalsContact O-CA 3.25Å; V1005-W1032 WeakPolarHBondContact O-CA 3.5Å; V1005-W1032 VanDerWaalsContact O-CE3 3.32Å; Q1006-W1032 HydrophobicContact CB-CD2 4.42Å; Q1006-W1032 HydrophobicContact CB-CE3 4.19Å; Q1006-W1032 HydrophobicContact CB-CH2 4.25Å; Q1006-W1032 HydrophobicContact CB-CZ2 4.48Å; Q1006-W1032 HydrophobicContact CB-CZ3 4.1Å; Q1006-W1032 HydrophobicContact CG-CD2 4.26Å; Q1006-W1032 HydrophobicContact CG-CE3 4.38Å; Q1006-W1032 HydrophobicContact CG-CH2 3.86Å; Q1006-W1032 HydrophobicContact CG-CZ2 3.7Å; Q1006-W1032 HydrophobicContact CG-CZ3 4.19Å; Q1006-W1032 VanDerWaalsContact OE1-CH2 3.25Å; W1032-T1034 PolarHBondContact O-N 3.44Å; W1032-D1048 CarbonylContact O-C 3.53Å; W1032-D1048 VanDerWaalsContact O-CA 3.23Å; W1032-D1048 WeakPolarHBondContact O-CA 3.17Å; W1032-D1048 WeakPolarHBondContact O-CB 3.47Å; W1032-K1049 HydrophobicContact CB-CB 4.08Å; W1032-K1049 PolarHBondContact O-N 3.03Å; W1032-F1050 HydrophobicContact CB-CE2 4.33Å; W1032-F1050 AromaticContact CD1-CE2 3.52Å; W1032-F1050 HydrophobicContact CG-CD2 4.47Å; W1032-F1050 AromaticContact CG-CE2 3.89Å; W1032-F1050 HydrophobicContact CG-CE2 3.89Å; W1032-F1050 AromaticContact NE1-CE2 3.95Å | ||
| 1033 | V | 96.9 | Very high | 94.7 | Very high | 7 Ų | 7 | 36.6 Ų | 36.6 | 4% | 0.042 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.9 | 125.6 | -165.2 | -178.5 | 0 | 0 | 0 | 0 | 111.4 | R1031 A1047 | R1031-V1033 VanDerWaalsContact C-N 3.25Å; R1031-V1033 HydrophobicContact CB-CG2 3.98Å; R1031-V1033 PolarHBondContact O-N 3.24Å; V1033-A1047 WeakPolarHBondContact CA-O 3.31Å |
| 1034 | T | 96.4 | Very high | 94.9 | Very high | 47 Ų | 47 | 35.6 Ų | 35.6 | 29% | 0.288 | 18% | 0.179 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | -47.9 | 174.5 | 49 | 0 | 0 | 0 | 0 | 111.4 | W1032 A1047 K1049 T1100 V1101 L1102 | W1032-T1034 PolarHBondContact O-N 3.44Å; T1034-A1047 PolarHBondContact N-O 3Å; T1034-A1047 PolarHBondContact OG1-O 3.16Å; T1034-K1049 HydrophobicContact CG2-CB 4.19Å; T1034-T1100 HydrophobicContact CG2-CG2 4.27Å; T1034-V1101 PolarHBondContact OG1-O 3.15Å; T1034-L1102 HydrophobicContact CG2-CD2 4.08Å |
| 1035 | T | 97.2 | Very high | 95.3 | Very high | 21 Ų | 21 | 35.6 Ų | 35.6 | 13% | 0.129 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.8 | 162 | -178 | -167.1 | 0 | 0 | 0 | 0 | 110.4 | A1047 V1101 L1102 L1104 | T1035-A1047 HydrophobicContact CG2-CB 3.76Å; T1035-A1047 PolarHBondContact O-N 2.94Å; T1035-V1101 HydrophobicContact CG2-CG1 4.47Å; T1035-L1102 WeakPolarHBondContact CB-O 3.2Å; T1035-L1102 VanDerWaalsContact CG2-C 3.44Å; T1035-L1102 WeakPolarHBondContact CG2-O 3.34Å; T1035-L1104 HydrophobicContact CG2-CB 4.47Å; T1035-L1104 HydrophobicContact CG2-CD1 4.3Å; T1035-L1104 HydrophobicContact CG2-CG 4.15Å |
| 1036 | A | 97.2 | Very high | 95.5 | Very high | 4 Ų | 4 | 35.7 Ų | 35.7 | 3% | 0.033 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.5 | 158.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y994 L1009 M1044 A1045 | Y994-A1036 HydrophobicContact CD2-CB 4.42Å; Y994-A1036 WeakPolarHBondContact CE1-O 3.49Å; Y994-A1036 HydrophobicContact CE2-CB 3.74Å; Y994-A1036 VanDerWaalsContact CZ-O 3.24Å; Y994-A1036 PolarHBondContact OH-N 3.4Å; Y994-A1036 VanDerWaalsContact OH-N 3.08Å; Y994-A1036 PolarHBondContact OH-O 3.47Å; L1009-A1036 HydrophobicContact CD2-CB 4.45Å; A1036-M1044 HydrophobicContact CB-CE 3.33Å; A1036-M1044 HydrophobicContact CB-CG 4.21Å; A1036-A1045 CarbonylContact C-O 3.58Å; A1036-A1045 WeakPolarHBondContact CA-O 3.46Å; A1036-A1045 VanDerWaalsContact CB-O 3.28Å; A1036-A1045 WeakPolarHBondContact CB-O 3.39Å |
| 1037 | C | 96.7 | Very high | 95.7 | Very high | 17 Ų | 17 | 35.3 Ų | 35.3 | 12% | 0.115 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 131 | 178.7 | -172.1 | 0 | 0 | 0 | 0 | 110.9 | L1039 M1044 A1045 L1104 L1117 | C1037-L1039 PolarHBondContact O-N 2.94Å; C1037-M1044 VanDerWaalsContact C-SD 3.56Å; C1037-A1045 PolarHBondContact N-O 3.18Å; C1037-A1045 PolarHBondContact O-N 3.41Å; C1037-L1104 HydrophobicContact CB-CB 3.74Å; C1037-L1104 WeakPolarHBondContact CB-O 3.45Å; C1037-L1117 HydrophobicContact CB-CD1 4.39Å |
| 1038 | L | 96.3 | Very high | 95.8 | Very high | 40 Ų | 40 | 35 Ų | 35 | 21% | 0.209 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 120.4 | 169.9 | -81.3 | 144.7 | 0 | 0 | 0 | 109.2 | I996 I1001 M1044 | I996-L1038 HydrophobicContact CB-CD1 4.43Å; I996-L1038 HydrophobicContact CB-CD2 3.92Å; I996-L1038 HydrophobicContact CD1-CD2 4.19Å; I996-L1038 HydrophobicContact CG2-CD2 3.66Å; I1001-L1038 HydrophobicContact CD1-CD2 3.47Å; I1001-L1038 VanDerWaalsContact CD1-CD2 3.47Å; I1001-L1038 HydrophobicContact CD1-CG 4.23Å; L1038-M1044 HydrophobicContact CB-SD 4.31Å; L1038-M1044 HydrophobicContact CD2-SD 4.18Å; L1038-M1044 HydrophobicContact CG-CE 4.27Å; L1038-M1044 HydrophobicContact CG-SD 3.75Å |
| 1039 | L | 96 | Very high | 96.1 | Very high | 24 Ų | 24 | 38.3 Ų | 38.3 | 13% | 0.126 | 18% | 0.184 | C | C | . | . | trans | -93.7 | -40.7 | 175.3 | -55.2 | -178.6 | 0 | 0 | 0 | 111.5 | M1 C1037 T1043 A1045 I1055 K1106 L1117 | M1-L1039 HydrophobicContact CE-CD1 4.05Å; C1037-L1039 PolarHBondContact O-N 2.94Å; L1039-T1043 WeakPolarHBondContact CB-OG1 3.44Å; L1039-T1043 PolarHBondContact N-O 3.36Å; L1039-T1043 VanDerWaalsContact N-O 3.15Å; L1039-A1045 HydrophobicContact CD1-CB 4.15Å; L1039-A1045 HydrophobicContact CD2-CB 4.2Å; L1039-A1045 HydrophobicContact CG-CB 4.18Å; L1039-I1055 HydrophobicContact CD1-CD1 3.92Å; L1039-I1055 HydrophobicContact CD1-CG1 4.45Å; L1039-I1055 HydrophobicContact CD1-CG2 3.97Å; L1039-K1106 HydrophobicContact CD2-CB 4.25Å; L1039-K1106 HydrophobicContact CD2-CD 4.26Å; L1039-K1106 PolarHBondContact O-NZ 3.26Å; L1039-K1106 VanDerWaalsContact O-NZ 3.14Å; L1039-L1117 HydrophobicContact CD2-CD1 3.98Å; L1039-L1117 HydrophobicContact CD2-CD2 4.25Å | ||
| 1040 | D | 94.6 | Very high | 96.3 | Very high | 68 Ų | 68 | 37.1 Ų | 37.1 | 36% | 0.364 | 18% | 0.182 | S | C | . | . | S | Bend | trans | -149.3 | -160.8 | 172.1 | 64.4 | 29.8 | 0 | 0 | 0 | 110.4 | D1042 T1043 | D1040-D1042 PolarHBondContact OD1-N 3.34Å; D1040-T1043 PolarHBondContact N-OG1 2.95Å; D1040-T1043 WeakPolarHBondContact OD1-CA 3.47Å; D1040-T1043 WeakPolarHBondContact OD1-CB 3.42Å; D1040-T1043 WeakPolarHBondContact OD1-CG2 3.48Å; D1040-T1043 PolarHBondContact OD1-N 3.13Å; D1040-T1043 PolarHBondContact OD1-OG1 3.32Å; D1040-T1043 PolarHBondContact OD2-OG1 3.15Å; D1040-T1043 VanDerWaalsContact OD2-OG1 3.08Å |
| 1041 | Y | 93.5 | Very high | 96.4 | Very high | 91 Ų | 91 | 34.1 Ų | 34.1 | 36% | 0.357 | 16% | 0.162 | S | C | . | . | S | Bend | trans | -73.1 | -24.8 | -177.8 | -169.3 | -112.9 | 0 | 0 | 0 | 114.8 | I996 R999 | I996-Y1041 HydrophobicContact CD1-CD2 4.28Å; I996-Y1041 HydrophobicContact CG1-CD2 4.08Å; I996-Y1041 HydrophobicContact CG2-CD2 3.87Å; I996-Y1041 HydrophobicContact CG2-CE2 4.14Å; R999-Y1041 HydrophobicContact CG-CE2 4.31Å; R999-Y1041 PolarHBondContact NE-OH 2.96Å; R999-Y1041 PolarHBondContact NH1-O 3.35Å |
| 1042 | D | 94.2 | Very high | 96.6 | Very high | 56 Ų | 56 | 34.2 Ų | 34.2 | 30% | 0.299 | 16% | 0.163 | S | C | . | . | S | Bend | trans | -115.2 | -14.6 | -172.8 | -64.5 | -47 | 0 | 0 | 0 | 112.6 | R999 D1040 R1057 L1058 | R999-D1042 IonicContact CZ-OD1 3.75Å; R999-D1042 IonicContact NH1-OD1 3.3Å; R999-D1042 PolarHBondContact NH1-OD1 3.46Å; R999-D1042 IonicContact NH2-OD1 2.65Å; D1040-D1042 PolarHBondContact OD1-N 3.34Å; D1042-R1057 WeakPolarHBondContact O-CA 3.23Å; D1042-L1058 HydrophobicContact CB-CB 4.25Å; D1042-L1058 PolarHBondContact O-N 3.15Å |
| 1043 | T | 96.3 | Very high | 96.6 | Very high | 2 Ų | 2 | 29.3 Ų | 29.3 | 1% | 0.012 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 135.5 | -173.8 | 60.1 | 0 | 0 | 0 | 0 | 114.2 | L1039 D1040 V1056 R1057 | L1039-T1043 WeakPolarHBondContact CB-OG1 3.44Å; L1039-T1043 PolarHBondContact N-O 3.36Å; L1039-T1043 VanDerWaalsContact N-O 3.15Å; D1040-T1043 PolarHBondContact N-OG1 2.95Å; D1040-T1043 WeakPolarHBondContact OD1-CA 3.47Å; D1040-T1043 WeakPolarHBondContact OD1-CB 3.42Å; D1040-T1043 WeakPolarHBondContact OD1-CG2 3.48Å; D1040-T1043 PolarHBondContact OD1-N 3.13Å; D1040-T1043 PolarHBondContact OD1-OG1 3.32Å; D1040-T1043 PolarHBondContact OD2-OG1 3.15Å; D1040-T1043 VanDerWaalsContact OD2-OG1 3.08Å; T1043-V1056 WeakPolarHBondContact CA-O 3.38Å; T1043-R1057 HydrophobicContact CG2-CB 3.74Å; T1043-R1057 HydrophobicContact CG2-CG 3.7Å |
| 1044 | M | 96.2 | Very high | 96.6 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 128.3 | 177.3 | -161.9 | 74.6 | 178.7 | 0 | 0 | 109.5 | Y994 I1001 L1009 W1011 A1036 C1037 L1038 I1055 V1056 | Y994-M1044 HydrophobicContact CD1-CE 3.99Å; Y994-M1044 HydrophobicContact CD2-CE 3.39Å; Y994-M1044 HydrophobicContact CE1-CE 4.39Å; Y994-M1044 HydrophobicContact CE2-CE 3.87Å; Y994-M1044 HydrophobicContact CG-CE 3.47Å; Y994-M1044 VanDerWaalsContact CG-CE 3.47Å; I1001-M1044 HydrophobicContact CD1-SD 3.74Å; I1001-M1044 HydrophobicContact CG2-CE 4.47Å; I1001-M1044 HydrophobicContact CG2-CG 4.38Å; I1001-M1044 HydrophobicContact CG2-SD 4.28Å; L1009-M1044 HydrophobicContact CD1-CB 3.69Å; L1009-M1044 HydrophobicContact CD1-CG 3.6Å; W1011-M1044 HydrophobicContact CZ2-CB 4.29Å; A1036-M1044 HydrophobicContact CB-CE 3.33Å; A1036-M1044 HydrophobicContact CB-CG 4.21Å; C1037-M1044 VanDerWaalsContact C-SD 3.56Å; L1038-M1044 HydrophobicContact CB-SD 4.31Å; L1038-M1044 HydrophobicContact CD2-SD 4.18Å; L1038-M1044 HydrophobicContact CG-CE 4.27Å; L1038-M1044 HydrophobicContact CG-SD 3.75Å; M1044-I1055 WeakPolarHBondContact O-CA 3.45Å; M1044-V1056 PolarHBondContact N-O 2.97Å; M1044-V1056 PolarHBondContact O-N 3.24Å |
| 1045 | A | 97.9 | Very high | 96.7 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 133.4 | 163.5 | 0 | 0 | 0 | 0 | 0 | 109.1 | A1036 C1037 L1039 S1054 I1055 L1104 L1117 | A1036-A1045 CarbonylContact C-O 3.58Å; A1036-A1045 WeakPolarHBondContact CA-O 3.46Å; A1036-A1045 VanDerWaalsContact CB-O 3.28Å; A1036-A1045 WeakPolarHBondContact CB-O 3.39Å; C1037-A1045 PolarHBondContact N-O 3.18Å; C1037-A1045 PolarHBondContact O-N 3.41Å; L1039-A1045 HydrophobicContact CD1-CB 4.15Å; L1039-A1045 HydrophobicContact CD2-CB 4.2Å; L1039-A1045 HydrophobicContact CG-CB 4.18Å; A1045-S1054 CarbonylContact C-O 3.54Å; A1045-S1054 WeakPolarHBondContact CA-O 3.45Å; A1045-I1055 HydrophobicContact CB-CG1 4.1Å; A1045-L1104 HydrophobicContact CB-CD1 4.29Å; A1045-L1117 HydrophobicContact CB-CD2 3.78Å |
| 1046 | S | 97.3 | Very high | 96.7 | Very high | 2 Ų | 2 | 25.8 Ų | 25.8 | 1% | 0.014 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 145.1 | 175.6 | 58 | 0 | 0 | 0 | 0 | 111.2 | I1053 S1054 | S1046-I1053 CarbonylContact O-C 3.47Å; S1046-I1053 WeakPolarHBondContact O-CA 2.9Å; S1046-S1054 PolarHBondContact N-O 3.31Å; S1046-S1054 PolarHBondContact O-N 2.87Å |
| 1047 | A | 97.9 | Very high | 96.7 | Very high | 1 Ų | 1 | 29.2 Ų | 29.2 | 1% | 0.008 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 154.8 | 170.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | V1033 T1034 T1035 N1052 V1101 L1104 | V1033-A1047 WeakPolarHBondContact CA-O 3.31Å; T1034-A1047 PolarHBondContact N-O 3Å; T1034-A1047 PolarHBondContact OG1-O 3.16Å; T1035-A1047 HydrophobicContact CG2-CB 3.76Å; T1035-A1047 PolarHBondContact O-N 2.94Å; A1047-N1052 WeakPolarHBondContact CA-O 3.31Å; A1047-V1101 HydrophobicContact CB-CB 3.64Å; A1047-V1101 HydrophobicContact CB-CG1 3.65Å; A1047-L1104 HydrophobicContact CB-CD1 3.88Å; A1047-L1104 HydrophobicContact CB-CG 4.43Å |
| 1048 | D | 96.1 | Very high | 96.6 | Very high | 4 Ų | 4 | 28.5 Ų | 28.5 | 2% | 0.021 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 168.2 | 176.1 | 79.6 | 10 | 0 | 0 | 0 | 114.3 | W1032 F1050 G1051 N1052 | W1032-D1048 CarbonylContact O-C 3.53Å; W1032-D1048 VanDerWaalsContact O-CA 3.23Å; W1032-D1048 WeakPolarHBondContact O-CA 3.17Å; W1032-D1048 WeakPolarHBondContact O-CB 3.47Å; D1048-F1050 PolarHBondContact O-N 2.88Å; D1048-F1050 VanDerWaalsContact OD1-C 3.29Å; D1048-F1050 WeakPolarHBondContact OD1-CA 3.47Å; D1048-F1050 PolarHBondContact OD1-N 2.81Å; D1048-G1051 PolarHBondContact O-N 3.25Å; D1048-G1051 PolarHBondContact OD1-N 2.76Å; D1048-N1052 PolarHBondContact N-O 3.07Å; D1048-N1052 WeakPolarHBondContact OD1-CB 3.45Å; D1048-N1052 PolarHBondContact OD1-N 2.65Å; D1048-N1052 PolarHBondContact OD1-ND2 2.78Å; D1048-N1052 WeakPolarHBondContact OD2-CB 3.36Å; D1048-N1052 PolarHBondContact OD2-ND2 3.11Å |
| 1049 | K | 97.3 | Very high | 96.5 | Very high | 136 Ų | 136 | 28.6 Ų | 28.6 | 59% | 0.591 | 13% | 0.133 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60 | -26.7 | 178.5 | -174.6 | 173.4 | 178.2 | -179.1 | 0 | 113.2 | W1032 T1034 T1100 | W1032-K1049 HydrophobicContact CB-CB 4.08Å; W1032-K1049 PolarHBondContact O-N 3.03Å; T1034-K1049 HydrophobicContact CG2-CB 4.19Å; K1049-T1100 PolarHBondContact O-OG1 3.12Å |
| 1050 | F | 97.3 | Very high | 96.2 | Very high | 90 Ų | 90 | 33.3 Ų | 33.3 | 40% | 0.395 | 17% | 0.165 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.6 | 5.6 | -175.7 | -63.2 | -74.1 | 0 | 0 | 0 | 113.5 | W1032 D1048 H1096 Y1167 | W1032-F1050 HydrophobicContact CB-CE2 4.33Å; W1032-F1050 AromaticContact CD1-CE2 3.52Å; W1032-F1050 HydrophobicContact CG-CD2 4.47Å; W1032-F1050 AromaticContact CG-CE2 3.89Å; W1032-F1050 HydrophobicContact CG-CE2 3.89Å; W1032-F1050 AromaticContact NE1-CE2 3.95Å; D1048-F1050 PolarHBondContact O-N 2.88Å; D1048-F1050 VanDerWaalsContact OD1-C 3.29Å; D1048-F1050 WeakPolarHBondContact OD1-CA 3.47Å; D1048-F1050 PolarHBondContact OD1-N 2.81Å; F1050-H1096 PolarHBondContact O-CE1 2.56Å; F1050-H1096 VanDerWaalsContact O-CE1 3.3Å; F1050-Y1167 HydrophobicContact CB-CD2 4.27Å; F1050-Y1167 HydrophobicContact CB-CE1 4.37Å; F1050-Y1167 HydrophobicContact CB-CE2 3.7Å; F1050-Y1167 HydrophobicContact CD1-CE1 4.38Å; F1050-Y1167 HydrophobicContact CG-CE1 4.36Å; F1050-Y1167 HydrophobicContact CG-CE2 4.5Å |
| 1051 | G | 96.7 | Very high | 95.9 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 19% | 0.188 | C | C | . | . | S | Bend | trans | 83.4 | 29.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | D1048 H1096 I1097 E1099 | D1048-G1051 PolarHBondContact O-N 3.25Å; D1048-G1051 PolarHBondContact OD1-N 2.76Å; G1051-H1096 PolarHBondContact O-ND1 3.26Å; G1051-I1097 WeakPolarHBondContact O-CB 3.06Å; G1051-I1097 PolarHBondContact O-N 3.17Å; G1051-E1099 WeakPolarHBondContact CA-O 3.45Å |
| 1052 | N | 98.1 | Very high | 95.6 | Very high | 5 Ų | 5 | 34.3 Ų | 34.3 | 3% | 0.027 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 147.6 | 171.3 | -51.9 | -56.3 | 0 | 0 | 0 | 111.1 | A1047 D1048 Y1095 H1096 Y1167 | A1047-N1052 WeakPolarHBondContact CA-O 3.31Å; D1048-N1052 PolarHBondContact N-O 3.07Å; D1048-N1052 WeakPolarHBondContact OD1-CB 3.45Å; D1048-N1052 PolarHBondContact OD1-N 2.65Å; D1048-N1052 PolarHBondContact OD1-ND2 2.78Å; D1048-N1052 WeakPolarHBondContact OD2-CB 3.36Å; D1048-N1052 PolarHBondContact OD2-ND2 3.11Å; N1052-Y1095 WeakPolarHBondContact CA-O 3.2Å; N1052-H1096 PolarHBondContact OD1-ND1 2.94Å; N1052-Y1167 VanDerWaalsContact ND2-CD2 3.31Å; N1052-Y1167 WeakPolarHBondContact ND2-CD2 3.37Å; N1052-Y1167 WeakPolarHBondContact OD1-CD2 3.37Å |
| 1053 | I | 98.5 | Very high | 95.1 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 133.1 | 163.7 | -62.8 | 178.4 | 0 | 0 | 0 | 108 | S1046 Y1095 I1097 V1101 L1104 Y1119 L1129 | S1046-I1053 CarbonylContact O-C 3.47Å; S1046-I1053 WeakPolarHBondContact O-CA 2.9Å; I1053-Y1095 PolarHBondContact N-O 2.81Å; I1053-Y1095 PolarHBondContact O-N 3.05Å; I1053-I1097 HydrophobicContact CD1-CD1 3.9Å; I1053-I1097 HydrophobicContact CD1-CG1 3.81Å; I1053-I1097 HydrophobicContact CG1-CD1 4.48Å; I1053-I1097 HydrophobicContact CG1-CG1 3.94Å; I1053-V1101 HydrophobicContact CD1-CG2 4.13Å; I1053-V1101 HydrophobicContact CG1-CG2 4.15Å; I1053-L1104 HydrophobicContact CD1-CD2 4.14Å; I1053-Y1119 HydrophobicContact CD1-CD1 3.87Å; I1053-Y1119 HydrophobicContact CD1-CE1 4.39Å; I1053-Y1119 HydrophobicContact CD1-CG 3.95Å; I1053-L1129 HydrophobicContact CD1-CD1 4Å; I1053-L1129 HydrophobicContact CG2-CD1 3.92Å |
| 1054 | S | 97.9 | Very high | 94.4 | Very high | 2 Ų | 2 | 35.3 Ų | 35.3 | 1% | 0.014 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 147.7 | 175.3 | -57.8 | 0 | 0 | 0 | 0 | 110 | R1031 A1045 S1046 V1093 N1094 | R1031-S1054 VanDerWaalsContact NE-CB 3.32Å; R1031-S1054 PolarHBondContact NE-OG 2.97Å; R1031-S1054 PolarHBondContact NH2-OG 2.77Å; A1045-S1054 CarbonylContact C-O 3.54Å; A1045-S1054 WeakPolarHBondContact CA-O 3.45Å; S1046-S1054 PolarHBondContact N-O 3.31Å; S1046-S1054 PolarHBondContact O-N 2.87Å; S1054-V1093 CarbonylContact C-O 3.53Å; S1054-V1093 VanDerWaalsContact CA-O 3.31Å; S1054-V1093 WeakPolarHBondContact CA-O 3.45Å; S1054-N1094 PolarHBondContact OG-OD1 2.99Å |
| 1055 | I | 98.2 | Very high | 93.5 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 122.5 | 168.6 | -54.7 | 177.9 | 0 | 0 | 0 | 108.2 | M1 L3 L1039 M1044 A1045 V1092 V1093 | M1-I1055 HydrophobicContact CE-CD1 3.59Å; M1-I1055 HydrophobicContact SD-CD1 4.43Å; L3-I1055 HydrophobicContact CD1-CD1 3.53Å; L1039-I1055 HydrophobicContact CD1-CD1 3.92Å; L1039-I1055 HydrophobicContact CD1-CG1 4.45Å; L1039-I1055 HydrophobicContact CD1-CG2 3.97Å; M1044-I1055 WeakPolarHBondContact O-CA 3.45Å; A1045-I1055 HydrophobicContact CB-CG1 4.1Å; I1055-V1092 HydrophobicContact CB-CG2 3.87Å; I1055-V1092 HydrophobicContact CG2-CG2 3.7Å; I1055-V1092 VanDerWaalsContact O-CG2 3.32Å; I1055-V1092 WeakPolarHBondContact O-CG2 3.43Å; I1055-V1092 PolarHBondContact O-N 3.21Å; I1055-V1093 HydrophobicContact CB-CB 3.92Å; I1055-V1093 HydrophobicContact CB-CG2 4.42Å; I1055-V1093 HydrophobicContact CD1-CB 4.12Å; I1055-V1093 HydrophobicContact CD1-CG1 4.42Å; I1055-V1093 HydrophobicContact CD1-CG2 4.15Å; I1055-V1093 HydrophobicContact CG1-CB 3.99Å; I1055-V1093 HydrophobicContact CG1-CG1 4.36Å; I1055-V1093 PolarHBondContact N-O 3.33Å; I1055-V1093 PolarHBondContact O-N 2.61Å |
| 1056 | V | 97.3 | Very high | 92.2 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 132.7 | -177.5 | -168.6 | 0 | 0 | 0 | 0 | 108.5 | L1009 W1011 T1043 M1044 A1089 E1090 V1091 | L1009-V1056 HydrophobicContact CD1-CB 4.41Å; L1009-V1056 HydrophobicContact CD1-CG2 4.33Å; W1011-V1056 HydrophobicContact CH2-CB 4.02Å; W1011-V1056 HydrophobicContact CH2-CG1 3.61Å; W1011-V1056 HydrophobicContact CZ2-CG1 4.47Å; W1011-V1056 HydrophobicContact CZ3-CG1 4.33Å; T1043-V1056 WeakPolarHBondContact CA-O 3.38Å; M1044-V1056 PolarHBondContact N-O 2.97Å; M1044-V1056 PolarHBondContact O-N 3.24Å; V1056-A1089 HydrophobicContact CG1-CB 3.44Å; V1056-A1089 VanDerWaalsContact CG1-CB 3.44Å; V1056-E1090 CarbonylContact C-O 3.09Å; V1056-E1090 WeakPolarHBondContact CA-O 3.33Å; V1056-V1091 HydrophobicContact CG2-CG2 4.37Å |
| 1057 | R | 96.4 | Very high | 90.5 | Very high | 75 Ų | 75 | 46.9 Ų | 46.9 | 28% | 0.283 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 135.2 | -175.7 | 175.5 | 168.2 | -72.6 | -180 | -5.8 | 109.7 | D1042 T1043 E1090 V1092 | D1042-R1057 WeakPolarHBondContact O-CA 3.23Å; T1043-R1057 HydrophobicContact CG2-CB 3.74Å; T1043-R1057 HydrophobicContact CG2-CG 3.7Å; R1057-E1090 HydrophobicContact CB-CG 4.19Å; R1057-E1090 PolarHBondContact N-O 3.16Å; R1057-E1090 VanDerWaalsContact O-CG 3.25Å; R1057-E1090 WeakPolarHBondContact O-CG 3.44Å; R1057-E1090 PolarHBondContact O-N 2.87Å; R1057-V1092 HydrophobicContact CB-CG1 3.82Å; R1057-V1092 HydrophobicContact CB-CG2 4.43Å |
| 1058 | L | 94.6 | Very high | 88.5 | Confident | 2 Ų | 2 | 50.7 Ų | 50.7 | 1% | 0.01 | 27% | 0.268 | C | S | . | . | trans | -70.4 | 138.9 | 168 | -69.1 | 178.3 | 0 | 0 | 0 | 110.7 | W1011 F1024 A1025 D1042 T1062 A1089 | W1011-L1058 HydrophobicContact CD2-CD1 4.49Å; W1011-L1058 HydrophobicContact CD2-CD2 3.79Å; W1011-L1058 HydrophobicContact CD2-CG 4.25Å; W1011-L1058 HydrophobicContact CE3-CD2 4.2Å; W1011-L1058 HydrophobicContact CG-CD1 4.06Å; W1011-L1058 HydrophobicContact CG-CD2 4Å; W1011-L1058 HydrophobicContact CG-CG 4.33Å; W1011-L1058 HydrophobicContact CZ2-CD2 4.43Å; W1011-L1058 HydrophobicContact CZ2-CG 4.42Å; F1024-L1058 HydrophobicContact CE2-CD1 4.07Å; F1024-L1058 HydrophobicContact CZ-CD1 4.24Å; A1025-L1058 HydrophobicContact CB-CD2 3.65Å; D1042-L1058 HydrophobicContact CB-CB 4.25Å; D1042-L1058 PolarHBondContact O-N 3.15Å; L1058-T1062 HydrophobicContact CD1-CG2 4.37Å; L1058-T1062 HydrophobicContact CD2-CG2 4.44Å; L1058-A1089 HydrophobicContact CD2-CB 4.07Å | ||
| 1059 | P | 93.5 | Very high | 86.2 | Confident | 43 Ų | 43 | 53.4 Ų | 53.4 | 28% | 0.279 | 28% | 0.283 | S | S | . | . | trans | -54.6 | 145.2 | 170.4 | -26.4 | 33.7 | 0 | 0 | 0 | 112.2 | N1061 T1062 K1088 | P1059-N1061 PolarHBondContact O-N 3.37Å; P1059-T1062 WeakPolarHBondContact CD-OG1 3.29Å; P1059-T1062 WeakPolarHBondContact O-CB 3.37Å; P1059-T1062 PolarHBondContact O-N 3.4Å; P1059-T1062 VanDerWaalsContact O-N 3.08Å; P1059-T1062 PolarHBondContact O-OG1 3.22Å; P1059-K1088 WeakPolarHBondContact CD-O 3.47Å; P1059-K1088 WeakPolarHBondContact CG-O 3.21Å | ||
| 1060 | P | 89.9 | Confident | 83.7 | Confident | 122 Ų | 122 | 53.2 Ų | 53.2 | 79% | 0.792 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | -23.5 | -179.4 | -25.6 | 34.1 | 0 | 0 | 0 | 114.7 | T1062 | P1060-T1062 VanDerWaalsContact C-N 3.34Š|
| 1061 | N | 88.5 | Confident | 81.3 | Confident | 159 Ų | 159 | 53.2 Ų | 53.2 | 85% | 0.85 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.4 | 14.6 | -178.4 | -63.4 | -20.5 | 0 | 0 | 0 | 112.9 | P1059 S1063 | P1059-N1061 PolarHBondContact O-N 3.37Å; N1061-S1063 PolarHBondContact O-N 3.15Å |
| 1062 | T | 86.8 | Confident | 78.9 | Confident | 22 Ų | 22 | 56.4 Ų | 56.4 | 14% | 0.135 | 34% | 0.335 | C | S | . | . | trans | -68.8 | 126.6 | -178.5 | -64.5 | 0 | 0 | 0 | 0 | 110.9 | F1024 L1058 P1059 P1060 | F1024-T1062 HydrophobicContact CD2-CG2 3.85Å; F1024-T1062 HydrophobicContact CE2-CG2 3.61Å; L1058-T1062 HydrophobicContact CD1-CG2 4.37Å; L1058-T1062 HydrophobicContact CD2-CG2 4.44Å; P1059-T1062 WeakPolarHBondContact CD-OG1 3.29Å; P1059-T1062 WeakPolarHBondContact O-CB 3.37Å; P1059-T1062 PolarHBondContact O-N 3.4Å; P1059-T1062 VanDerWaalsContact O-N 3.08Å; P1059-T1062 PolarHBondContact O-OG1 3.22Å; P1060-T1062 VanDerWaalsContact C-N 3.34Å | ||
| 1063 | S | 84 | Confident | 76.3 | Confident | 61 Ų | 61 | 62.9 Ų | 62.9 | 43% | 0.427 | 37% | 0.37 | S | S | . | . | trans | -96.5 | 125.3 | 173.4 | -178.1 | 0 | 0 | 0 | 0 | 109.8 | N1061 D1065 Q1087 | N1061-S1063 PolarHBondContact O-N 3.15Å; S1063-D1065 VanDerWaalsContact C-N 3.31Å; S1063-D1065 PolarHBondContact OG-N 3.05Å; S1063-Q1087 PolarHBondContact O-NE2 2.94Å | ||
| 1064 | D | 82.2 | Confident | 73.7 | Confident | 17 Ų | 17 | 69.7 Ų | 69.7 | 9% | 0.091 | 40% | 0.4 | C | S | . | . | S | Bend | trans | -74.5 | -27.5 | 173.5 | -69.4 | 16.8 | 0 | 0 | 0 | 111.2 | R999 R1013 V1066 | R999-D1064 IonicContact CZ-OD1 4Å; R999-D1064 IonicContact CZ-OD2 3.47Å; R999-D1064 IonicContact NE-OD1 3.3Å; R999-D1064 PolarHBondContact NE-OD1 3.46Å; R999-D1064 IonicContact NE-OD2 3.7Å; R999-D1064 PolarHBondContact NE-OD2 2.63Å; R999-D1064 IonicContact NH2-OD1 2.8Å; R999-D1064 PolarHBondContact NH2-OD1 3.02Å; R999-D1064 IonicContact NH2-OD2 3.58Å; R1013-D1064 WeakPolarHBondContact CD-O 3.5Å; R1013-D1064 IonicContact NH1-OD2 3.69Å; R1013-D1064 PolarHBondContact NH1-OD2 3.33Å; D1064-V1066 VanDerWaalsContact C-N 3.29Å; D1064-V1066 PolarHBondContact O-N 2.99Å |
| 1065 | D | 76.5 | Confident | 70.9 | Confident | 98 Ų | 98 | 73 Ų | 73 | 52% | 0.524 | 43% | 0.428 | S | S | . | . | trans | -84.6 | 69.9 | -176.9 | -69.7 | -43.6 | 0 | 0 | 0 | 111.2 | R1013 S1063 | R1013-D1065 IonicContact CZ-OD1 2.75Å; R1013-D1065 IonicContact NE-OD1 3.81Å; R1013-D1065 PolarHBondContact NE-OD1 2.99Å; R1013-D1065 VanDerWaalsContact NH2-CG 3.34Å; R1013-D1065 IonicContact NH2-OD1 3.29Å; R1013-D1065 PolarHBondContact NH2-OD1 2.83Å; R1013-D1065 IonicContact NH2-OD2 3.53Å; R1013-D1065 PolarHBondContact NH2-OD2 2.82Å; S1063-D1065 VanDerWaalsContact C-N 3.31Å; S1063-D1065 PolarHBondContact OG-N 3.05Å | ||
| 1066 | V | 71.1 | Confident | 68.3 | Low | 36 Ų | 36 | 80.3 Ų | 80.3 | 22% | 0.218 | 47% | 0.466 | C | S | . | . | trans | -96.1 | 132.8 | 168.8 | -172.5 | 0 | 0 | 0 | 0 | 108.6 | R1015 F1024 D1064 | R1015-V1066 PolarHBondContact NH2-O 3.38Å; F1024-V1066 HydrophobicContact CB-CB 4.33Å; F1024-V1066 HydrophobicContact CB-CG2 3.9Å; D1064-V1066 VanDerWaalsContact C-N 3.29Å; D1064-V1066 PolarHBondContact O-N 2.99Å | ||
| 1067 | D | 61.2 | Low | 65.8 | Low | 112 Ų | 112 | 91.8 Ų | 91.8 | 60% | 0.599 | 51% | 0.509 | S | S | * | . | trans | -95.7 | 121.6 | 172.6 | -78.2 | -20.3 | 0 | 0 | 0 | 109.7 | R1015 | R1015-D1067 IonicContact CZ-OD1 3.85Å; R1015-D1067 IonicContact NH1-OD1 3.48Å; R1015-D1067 PolarHBondContact NH1-OD1 3.01Å; R1015-D1067 IonicContact NH2-OD1 3.81Å; R1015-D1067 PolarHBondContact NH2-OD1 3.34Å | ||
| 1068 | E | 56 | Low | 63.3 | Low | 81 Ų | 81 | 93.8 Ų | 93.8 | 38% | 0.379 | 53% | 0.525 | S | S | . | . | trans | -82.5 | 112.9 | 159.9 | -87.2 | -175 | 152.2 | 0 | 0 | 107.9 | H985 P1070 | H985-E1068 IonicContact CE1-OE1 3.19Å; H985-E1068 IonicContact CE1-OE2 3.03Å; H985-E1068 IonicContact ND1-OE1 2.76Å; H985-E1068 PolarHBondContact ND1-OE1 3.2Å; H985-E1068 IonicContact ND1-OE2 3.84Å; E1068-P1070 VanDerWaalsContact O-CD 3.26Å; E1068-P1070 WeakPolarHBondContact O-CD 3.41Å | ||
| 1069 | D | 47.5 | Very low | 61.4 | Low | 61 Ų | 61 | 103.7 Ų | 103.7 | 33% | 0.326 | 56% | 0.563 | S | S | . | * | trans | -73.8 | 113 | 176.3 | -176.6 | -5.7 | 0 | 0 | 0 | 110.5 | T1071 | D1069-T1071 PolarHBondContact O-N 3.32Å; D1069-T1071 WeakPolarHBondContact OD1-CB 3.41Å; D1069-T1071 PolarHBondContact OD1-N 3.01Å; D1069-T1071 PolarHBondContact OD1-OG1 3.22Å; D1069-T1071 PolarHBondContact OD2-OG1 3Å | ||
| 1070 | P | 45.8 | Very low | 59.7 | Low | 132 Ų | 132 | 103 Ų | 103 | 86% | 0.857 | 56% | 0.563 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.1 | -5.3 | -178.6 | 22.6 | -19.2 | 0 | 0 | 0 | 113.6 | E1068 | E1068-P1070 VanDerWaalsContact O-CD 3.26Å; E1068-P1070 WeakPolarHBondContact O-CD 3.41Å |
| 1071 | T | 46.5 | Very low | 58.1 | Low | 90 Ų | 90 | 101.9 Ų | 101.9 | 55% | 0.552 | 55% | 0.55 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.2 | -8 | -176.8 | 65.5 | 0 | 0 | 0 | 0 | 114.7 | D1069 N1073 | D1069-T1071 PolarHBondContact O-N 3.32Å; D1069-T1071 WeakPolarHBondContact OD1-CB 3.41Å; D1069-T1071 PolarHBondContact OD1-N 3.01Å; D1069-T1071 PolarHBondContact OD1-OG1 3.22Å; D1069-T1071 PolarHBondContact OD2-OG1 3Å; T1071-N1073 PolarHBondContact O-N 3.34Å; T1071-N1073 VanDerWaalsContact O-N 3.13Å |
| 1072 | G | 45.7 | Very low | 56.8 | Low | 66 Ų | 66 | 100.8 Ų | 100.8 | 68% | 0.68 | 54% | 0.544 | S | S | * | . | trans | 62.3 | 16.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 1073 | N | 43.2 | Very low | 56 | Low | 142 Ų | 142 | 108.1 Ų | 108.1 | 76% | 0.759 | 58% | 0.582 | S | S | * | * | trans | -96.2 | -1.4 | -172.5 | -84.1 | -33.1 | 0 | 0 | 0 | 114.4 | T1071 | T1071-N1073 PolarHBondContact O-N 3.34Å; T1071-N1073 VanDerWaalsContact O-N 3.13Å | ||
| 1074 | K | 44.4 | Very low | 55.6 | Low | 142 Ų | 142 | 106.6 Ų | 106.6 | 62% | 0.617 | 58% | 0.576 | S | S | * | * | S | Bend | trans | -89.4 | 147.8 | 169.4 | -82.6 | -177.1 | 177.6 | 175 | 0 | 112.4 | D1078 | K1074-D1078 WeakPolarHBondContact CB-OD2 3.32Š|
| 1075 | A | 40.5 | Very low | 55.6 | Low | 73 Ų | 73 | 106.3 Ų | 106.3 | 60% | 0.603 | 58% | 0.576 | S | S | * | * | trans | -59.6 | 164.3 | -165.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | W1077 D1078 | A1075-W1077 PolarHBondContact O-N 2.84Å; A1075-D1078 PolarHBondContact O-N 2.72Å; A1075-D1078 VanDerWaalsContact O-N 3.16Å | ||
| 1076 | L | 42.9 | Very low | 55.8 | Low | 153 Ų | 153 | 104.9 Ų | 104.9 | 80% | 0.801 | 57% | 0.574 | S | S | * | * | G | 310 helix | trans | -41.8 | -10.8 | 177.4 | -107.5 | 92.9 | 0 | 0 | 0 | 117.7 | ||
| 1077 | W | 44.4 | Very low | 56.6 | Low | 241 Ų | 241 | 105 Ų | 105 | 91% | 0.913 | 57% | 0.572 | S | S | * | * | G | 310 helix | trans | -85.6 | -15.4 | -175.9 | -65.4 | 47.2 | 0 | 0 | 0 | 112.9 | A1075 R1079 | A1075-W1077 PolarHBondContact O-N 2.84Å; W1077-R1079 VanDerWaalsContact C-N 3.32Å |
| 1078 | D | 45.1 | Very low | 58.1 | Low | 116 Ų | 116 | 101.4 Ų | 101.4 | 62% | 0.62 | 55% | 0.551 | S | S | * | * | G | 310 helix | trans | -86.8 | 7.2 | 174.4 | -85.3 | -24.7 | 0 | 0 | 0 | 113.6 | K1074 A1075 G1080 | K1074-D1078 WeakPolarHBondContact CB-OD2 3.32Å; A1075-D1078 PolarHBondContact O-N 2.72Å; A1075-D1078 VanDerWaalsContact O-N 3.16Å; D1078-G1080 PolarHBondContact O-N 3.15Å; D1078-G1080 VanDerWaalsContact O-N 3.15Å |
| 1079 | R | 54.3 | Low | 59.9 | Low | 211 Ų | 211 | 97.7 Ų | 97.7 | 80% | 0.796 | 53% | 0.534 | S | S | * | . | S | Bend | trans | -68.2 | 114.9 | 166.7 | -82.8 | -173.6 | 171.6 | -173.9 | -2.6 | 108.1 | W1077 | W1077-R1079 VanDerWaalsContact C-N 3.32Š|
| 1080 | G | 56.2 | Low | 62.1 | Low | 28 Ų | 28 | 99.2 Ų | 99.2 | 29% | 0.289 | 54% | 0.539 | S | S | . | . | trans | -42.8 | 140.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | D1078 L1082 N1083 G1084 | D1078-G1080 PolarHBondContact O-N 3.15Å; D1078-G1080 VanDerWaalsContact O-N 3.15Å; G1080-L1082 PolarHBondContact O-N 2.75Å; G1080-N1083 PolarHBondContact O-N 3.21Å; G1080-G1084 WeakPolarHBondContact CA-O 3.13Å | ||
| 1081 | L | 56.3 | Low | 64.6 | Low | 99 Ų | 99 | 93.5 Ų | 93.5 | 52% | 0.518 | 50% | 0.502 | S | S | . | . | G | 310 helix | trans | -68.2 | 129.1 | -176 | -168.3 | 69.5 | 0 | 0 | 0 | 108.6 | N1083 G1084 A1085 K1088 | L1081-N1083 VanDerWaalsContact C-N 3.34Å; L1081-N1083 PolarHBondContact O-N 2.93Å; L1081-G1084 PolarHBondContact O-N 2.65Å; L1081-G1084 VanDerWaalsContact O-N 3.15Å; L1081-A1085 PolarHBondContact N-O 2.99Å; L1081-K1088 HydrophobicContact CD2-CG 3.93Å; L1081-K1088 WeakPolarHBondContact O-CE 3.41Å; L1081-K1088 PolarHBondContact O-NZ 3.4Å |
| 1082 | L | 62 | Low | 67 | Low | 136 Ų | 136 | 90 Ų | 90 | 71% | 0.712 | 48% | 0.48 | S | S | * | . | G | 310 helix | trans | 55.8 | 40.1 | -178.4 | -58.6 | 167.5 | 0 | 0 | 0 | 114 | G1080 G1084 | G1080-L1082 PolarHBondContact O-N 2.75Å; L1082-G1084 PolarHBondContact O-N 2.92Å |
| 1083 | N | 70.3 | Confident | 69.5 | Low | 175 Ų | 175 | 86.9 Ų | 86.9 | 94% | 0.936 | 45% | 0.448 | S | S | * | . | G | 310 helix | trans | 61.2 | 19.4 | -176.9 | -79.3 | -10 | 0 | 0 | 0 | 114.9 | G1080 L1081 | G1080-N1083 PolarHBondContact O-N 3.21Å; L1081-N1083 VanDerWaalsContact C-N 3.34Å; L1081-N1083 PolarHBondContact O-N 2.93Å |
| 1084 | G | 75.8 | Confident | 72.1 | Confident | 29 Ų | 29 | 80.7 Ų | 80.7 | 30% | 0.299 | 42% | 0.415 | S | S | . | . | S | Bend | trans | -126.8 | -144.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | D1026 G1080 L1081 L1082 | D1026-G1084 VanDerWaalsContact OD2-CA 3.28Å; D1026-G1084 WeakPolarHBondContact OD2-CA 3.45Å; G1080-G1084 WeakPolarHBondContact CA-O 3.13Å; L1081-G1084 PolarHBondContact O-N 2.65Å; L1081-G1084 VanDerWaalsContact O-N 3.15Å; L1082-G1084 PolarHBondContact O-N 2.92Å |
| 1085 | A | 81.6 | Confident | 74.7 | Confident | 11 Ų | 11 | 74.2 Ų | 74.2 | 9% | 0.091 | 39% | 0.387 | C | S | . | . | trans | -71.3 | 164.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | I1023 D1026 L1081 | I1023-A1085 HydrophobicContact CG2-CB 4.17Å; D1026-A1085 HydrophobicContact CB-CB 4.18Å; D1026-A1085 VanDerWaalsContact CG-N 3.31Å; D1026-A1085 VanDerWaalsContact OD1-CB 3.28Å; D1026-A1085 WeakPolarHBondContact OD1-CB 3.44Å; D1026-A1085 PolarHBondContact OD1-N 3.43Å; D1026-A1085 PolarHBondContact OD2-N 2.81Å; L1081-A1085 PolarHBondContact N-O 2.99Å | ||
| 1086 | S | 81 | Confident | 77.4 | Confident | 69 Ų | 69 | 71 Ų | 71 | 48% | 0.483 | 36% | 0.359 | S | S | . | . | S | Bend | trans | -71.6 | -31.3 | 179 | 56.6 | 0 | 0 | 0 | 0 | 112.9 | ||
| 1087 | Q | 88.8 | Confident | 80 | Confident | 39 Ų | 39 | 63.7 Ų | 63.7 | 18% | 0.182 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 134.2 | -179.4 | -58.8 | 173.6 | 93.1 | 0 | 0 | 110.2 | F1024 A1025 D1026 S1063 | F1024-Q1087 WeakPolarHBondContact O-CB 3.18Å; F1024-Q1087 PolarHBondContact O-NE2 3.17Å; A1025-Q1087 WeakPolarHBondContact CA-O 3.4Å; A1025-Q1087 HydrophobicContact CB-CB 4.08Å; A1025-Q1087 WeakPolarHBondContact CB-O 3.43Å; D1026-Q1087 PolarHBondContact N-O 3.07Å; S1063-Q1087 PolarHBondContact O-NE2 2.94Å |
| 1088 | K | 91.1 | Very high | 82.4 | Confident | 36 Ų | 36 | 53.2 Ų | 53.2 | 16% | 0.157 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 134.1 | -179.2 | -63.4 | -59.2 | 178.2 | -177.5 | 0 | 111.3 | D1026 T1028 P1059 L1081 | D1026-K1088 WeakPolarHBondContact O-CA 3.29Å; D1026-K1088 WeakPolarHBondContact OD1-CD 3.23Å; D1026-K1088 WeakPolarHBondContact OD1-CE 3.47Å; D1026-K1088 IonicContact OD1-NZ 3.52Å; D1026-K1088 PolarHBondContact OD1-NZ 2.79Å; D1026-K1088 IonicContact OD2-NZ 3.84Å; D1026-K1088 PolarHBondContact OD2-NZ 2.98Å; T1028-K1088 HydrophobicContact CG2-CB 3.79Å; T1028-K1088 HydrophobicContact CG2-CD 4Å; T1028-K1088 HydrophobicContact CG2-CG 3.93Å; P1059-K1088 WeakPolarHBondContact CD-O 3.47Å; P1059-K1088 WeakPolarHBondContact CG-O 3.21Å; L1081-K1088 HydrophobicContact CD2-CG 3.93Å; L1081-K1088 WeakPolarHBondContact O-CE 3.41Å; L1081-K1088 PolarHBondContact O-NZ 3.4Å |
| 1089 | A | 93.8 | Very high | 84.9 | Confident | 3 Ų | 3 | 48.2 Ų | 48.2 | 3% | 0.025 | 26% | 0.261 | C | S | . | . | trans | -78.9 | 145 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | W1011 D1026 V1056 L1058 | W1011-A1089 HydrophobicContact CE3-CB 4.35Å; W1011-A1089 HydrophobicContact CH2-CB 3.8Å; W1011-A1089 HydrophobicContact CZ3-CB 3.67Å; D1026-A1089 PolarHBondContact O-N 3.42Å; V1056-A1089 HydrophobicContact CG1-CB 3.44Å; V1056-A1089 VanDerWaalsContact CG1-CB 3.44Å; L1058-A1089 HydrophobicContact CD2-CB 4.07Å | ||
| 1090 | E | 95.1 | Very high | 87 | Confident | 93 Ų | 93 | 39.7 Ų | 39.7 | 44% | 0.435 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 139.4 | 179.1 | 56.8 | 167.7 | -166.6 | 0 | 0 | 111.6 | V1056 R1057 V1092 | V1056-E1090 CarbonylContact C-O 3.09Å; V1056-E1090 WeakPolarHBondContact CA-O 3.33Å; R1057-E1090 HydrophobicContact CB-CG 4.19Å; R1057-E1090 PolarHBondContact N-O 3.16Å; R1057-E1090 VanDerWaalsContact O-CG 3.25Å; R1057-E1090 WeakPolarHBondContact O-CG 3.44Å; R1057-E1090 PolarHBondContact O-N 2.87Å; E1090-V1092 HydrophobicContact CG-CG1 4.36Å |
| 1091 | V | 96.9 | Very high | 89 | Confident | 12 Ų | 12 | 38.4 Ų | 38.4 | 7% | 0.073 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 113.5 | 175.4 | -173.9 | 0 | 0 | 0 | 0 | 109.1 | Y1029 V1056 V1093 N1094 K1171 | Y1029-V1091 HydrophobicContact CD2-CG2 3.87Å; Y1029-V1091 HydrophobicContact CE2-CG2 4.05Å; V1056-V1091 HydrophobicContact CG2-CG2 4.37Å; V1091-V1093 WeakPolarHBondContact CG1-O 3.4Å; V1091-N1094 WeakPolarHBondContact CG1-ND2 3.45Å; V1091-N1094 WeakPolarHBondContact CG1-OD1 3.45Å; V1091-K1171 PolarHBondContact O-NZ 2.91Å |
| 1092 | V | 97.3 | Very high | 91 | Very high | 16 Ų | 16 | 35.4 Ų | 35.4 | 10% | 0.097 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | -27.1 | -177.2 | -64 | 0 | 0 | 0 | 0 | 113.1 | I1055 R1057 E1090 N1172 | I1055-V1092 HydrophobicContact CB-CG2 3.87Å; I1055-V1092 HydrophobicContact CG2-CG2 3.7Å; I1055-V1092 VanDerWaalsContact O-CG2 3.32Å; I1055-V1092 WeakPolarHBondContact O-CG2 3.43Å; I1055-V1092 PolarHBondContact O-N 3.21Å; R1057-V1092 HydrophobicContact CB-CG1 3.82Å; R1057-V1092 HydrophobicContact CB-CG2 4.43Å; E1090-V1092 HydrophobicContact CG-CG1 4.36Å; V1092-N1172 PolarHBondContact O-ND2 2.92Å |
| 1093 | V | 98 | Very high | 92.7 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 138.7 | 179.1 | 169.1 | 0 | 0 | 0 | 0 | 109.9 | L3 S1054 I1055 V1091 K1171 N1172 V1173 | L3-V1093 HydrophobicContact CD1-CG1 4.22Å; L3-V1093 HydrophobicContact CD1-CG2 4.13Å; S1054-V1093 CarbonylContact C-O 3.53Å; S1054-V1093 VanDerWaalsContact CA-O 3.31Å; S1054-V1093 WeakPolarHBondContact CA-O 3.45Å; I1055-V1093 HydrophobicContact CB-CB 3.92Å; I1055-V1093 HydrophobicContact CB-CG2 4.42Å; I1055-V1093 HydrophobicContact CD1-CB 4.12Å; I1055-V1093 HydrophobicContact CD1-CG1 4.42Å; I1055-V1093 HydrophobicContact CD1-CG2 4.15Å; I1055-V1093 HydrophobicContact CG1-CB 3.99Å; I1055-V1093 HydrophobicContact CG1-CG1 4.36Å; I1055-V1093 PolarHBondContact N-O 3.33Å; I1055-V1093 PolarHBondContact O-N 2.61Å; V1091-V1093 WeakPolarHBondContact CG1-O 3.4Å; V1093-K1171 WeakPolarHBondContact CA-O 3.21Å; V1093-N1172 HydrophobicContact CG2-CB 4.35Å; V1093-V1173 HydrophobicContact CG1-CG2 3.39Å |
| 1094 | N | 98.1 | Very high | 94 | Very high | 13 Ų | 13 | 21.8 Ų | 21.8 | 7% | 0.07 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 137.1 | 164.5 | -74.3 | -51.9 | 0 | 0 | 0 | 108.4 | R1031 S1054 V1091 P1169 V1170 K1171 | R1031-N1094 PolarHBondContact NH2-OD1 3.08Å; S1054-N1094 PolarHBondContact OG-OD1 2.99Å; V1091-N1094 WeakPolarHBondContact CG1-ND2 3.45Å; V1091-N1094 WeakPolarHBondContact CG1-OD1 3.45Å; N1094-P1169 WeakPolarHBondContact CB-O 3.49Å; N1094-V1170 WeakPolarHBondContact O-CA 3.48Å; N1094-K1171 PolarHBondContact O-N 3.29Å |
| 1095 | Y | 98.5 | Very high | 95.1 | Very high | 5 Ų | 5 | 22.2 Ų | 22.2 | 2% | 0.02 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.1 | 132.4 | 178.9 | -172.8 | -115.8 | 0 | 0 | 0 | 111.7 | N5 N1052 I1053 I1097 R1164 V1170 V1173 D1175 | N5-Y1095 HydrophobicContact CB-CE1 3.73Å; N5-Y1095 PolarHBondContact ND2-OH 2.78Å; N1052-Y1095 WeakPolarHBondContact CA-O 3.2Å; I1053-Y1095 PolarHBondContact N-O 2.81Å; I1053-Y1095 PolarHBondContact O-N 3.05Å; Y1095-I1097 HydrophobicContact CD1-CD1 3.53Å; Y1095-I1097 HydrophobicContact CD1-CG1 4.31Å; Y1095-I1097 HydrophobicContact CE1-CD1 3.56Å; Y1095-R1164 HydrophobicContact CD2-CB 4.39Å; Y1095-R1164 HydrophobicContact CE2-CB 4.03Å; Y1095-R1164 HydrophobicContact CE2-CG 3.88Å; Y1095-R1164 PolarHBondContact OH-NE 2.84Å; Y1095-R1164 VanDerWaalsContact OH-NE 3.08Å; Y1095-V1170 HydrophobicContact CD2-CG1 4.39Å; Y1095-V1170 HydrophobicContact CD2-CG2 4.35Å; Y1095-V1173 HydrophobicContact CD1-CG1 4.16Å; Y1095-V1173 HydrophobicContact CD2-CB 3.73Å; Y1095-V1173 HydrophobicContact CD2-CG1 3.62Å; Y1095-V1173 HydrophobicContact CD2-CG2 4.35Å; Y1095-V1173 HydrophobicContact CE1-CG1 4.33Å; Y1095-V1173 HydrophobicContact CE2-CB 4.29Å; Y1095-V1173 HydrophobicContact CE2-CG1 3.82Å; Y1095-V1173 HydrophobicContact CG-CB 4.07Å; Y1095-V1173 HydrophobicContact CG-CG1 3.8Å; Y1095-V1173 HydrophobicContact CG-CG2 4.26Å; Y1095-D1175 WeakPolarHBondContact OH-CB 3.48Å; Y1095-D1175 PolarHBondContact OH-OD1 3.06Å; Y1095-D1175 VanDerWaalsContact OH-OD1 3.11Å; Y1095-D1175 PolarHBondContact OH-OD2 3.07Å |
| 1096 | H | 98.6 | Very high | 95.8 | Very high | 5 Ų | 5 | 25.4 Ų | 25.4 | 2% | 0.023 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 118.5 | 174.4 | -175.5 | 63.1 | 0 | 0 | 0 | 111.3 | F1050 G1051 N1052 G1098 F1163 R1164 Y1167 | F1050-H1096 PolarHBondContact O-CE1 2.56Å; F1050-H1096 VanDerWaalsContact O-CE1 3.3Å; G1051-H1096 PolarHBondContact O-ND1 3.26Å; N1052-H1096 PolarHBondContact OD1-ND1 2.94Å; H1096-G1098 WeakPolarHBondContact NE2-CA 3.36Å; H1096-F1163 AromaticContact CD2-CE2 3.91Å; H1096-F1163 PolarHBondContact CD2-O 2.63Å; H1096-F1163 VanDerWaalsContact CD2-O 3.24Å; H1096-F1163 AromaticContact NE2-CE2 3.99Å; H1096-R1164 WeakPolarHBondContact CB-O 3.15Å; H1096-R1164 PolarHBondContact N-O 3.3Å; H1096-R1164 VanDerWaalsContact N-O 3.12Å; H1096-R1164 VanDerWaalsContact O-CD 3.22Å; H1096-R1164 WeakPolarHBondContact O-CD 3.22Å; H1096-R1164 PolarHBondContact O-NH1 2.89Å; H1096-Y1167 AromaticContact CE1-CE2 3.86Å; H1096-Y1167 AromaticContact ND1-CD2 4Å |
| 1097 | I | 97.9 | Very high | 96.5 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 12% | 0.122 | C | C | . | . | trans | -80.3 | -32.3 | 179.3 | -61.1 | -68.4 | 0 | 0 | 0 | 111.5 | G1051 I1053 Y1095 E1099 V1101 Y1119 T1121 R1164 | G1051-I1097 WeakPolarHBondContact O-CB 3.06Å; G1051-I1097 PolarHBondContact O-N 3.17Å; I1053-I1097 HydrophobicContact CD1-CD1 3.9Å; I1053-I1097 HydrophobicContact CD1-CG1 3.81Å; I1053-I1097 HydrophobicContact CG1-CD1 4.48Å; I1053-I1097 HydrophobicContact CG1-CG1 3.94Å; Y1095-I1097 HydrophobicContact CD1-CD1 3.53Å; Y1095-I1097 HydrophobicContact CD1-CG1 4.31Å; Y1095-I1097 HydrophobicContact CE1-CD1 3.56Å; I1097-E1099 HydrophobicContact CG2-CB 4.42Å; I1097-V1101 HydrophobicContact CG1-CG2 4.26Å; I1097-Y1119 HydrophobicContact CD1-CE1 4.06Å; I1097-Y1119 HydrophobicContact CD1-CE2 4.12Å; I1097-Y1119 HydrophobicContact CG2-CE2 4.06Å; I1097-T1121 HydrophobicContact CG2-CG2 4.26Å; I1097-R1164 PolarHBondContact O-NH1 3.01Å; I1097-R1164 VanDerWaalsContact O-NH1 3.15Å | ||
| 1098 | G | 94.5 | Very high | 96.8 | Very high | 21 Ų | 21 | 23.7 Ų | 23.7 | 22% | 0.216 | 13% | 0.127 | C | C | . | . | S | Bend | trans | 92.9 | -6.5 | -171.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | H1096 | H1096-G1098 WeakPolarHBondContact NE2-CA 3.36Š|
| 1099 | E | 96.5 | Very high | 96.7 | Very high | 11 Ų | 11 | 22 Ų | 22 | 5% | 0.051 | 12% | 0.12 | C | C | . | . | S | Bend | trans | -139.6 | 143.5 | -178.8 | -65.9 | 163.5 | -143.3 | 0 | 0 | 109.7 | K36 G1051 I1097 V1101 T1121 | K36-E1099 HydrophobicContact CD-CG 4.4Å; K36-E1099 WeakPolarHBondContact CD-OE1 3.1Å; K36-E1099 WeakPolarHBondContact CE-OE1 3.07Å; K36-E1099 IonicContact NZ-OE1 2.99Å; K36-E1099 PolarHBondContact NZ-OE1 2.93Å; K36-E1099 IonicContact NZ-OE2 3.43Å; G1051-E1099 WeakPolarHBondContact CA-O 3.45Å; I1097-E1099 HydrophobicContact CG2-CB 4.42Å; E1099-V1101 PolarHBondContact O-N 2.89Å; E1099-T1121 HydrophobicContact CB-CG2 4.01Å; E1099-T1121 WeakPolarHBondContact OE2-CB 3.42Å; E1099-T1121 WeakPolarHBondContact OE2-CG2 3.12Å; E1099-T1121 PolarHBondContact OE2-OG1 2.96Å |
| 1100 | T | 98.4 | Very high | 96.3 | Very high | 33 Ų | 33 | 23.2 Ų | 23.2 | 20% | 0.202 | 13% | 0.125 | C | C | . | . | trans | -64.3 | 122.2 | 179.6 | -53.4 | 0 | 0 | 0 | 0 | 111 | T1034 K1049 L1102 T1121 L1122 | T1034-T1100 HydrophobicContact CG2-CG2 4.27Å; K1049-T1100 PolarHBondContact O-OG1 3.12Å; T1100-L1102 HydrophobicContact CG2-CD2 4.14Å; T1100-L1102 HydrophobicContact CG2-CG 4.48Å; T1100-T1121 CarbonylContact O-C 3.57Å; T1100-T1121 VanDerWaalsContact O-CA 3.28Å; T1100-T1121 WeakPolarHBondContact O-CA 3.26Å; T1100-L1122 PolarHBondContact O-N 3.41Å | ||
| 1101 | V | 98.4 | Very high | 95.6 | Very high | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 129.9 | 177.4 | 172.3 | 0 | 0 | 0 | 0 | 109.6 | T1034 T1035 A1047 I1053 I1097 E1099 S1103 L1104 Y1119 T1120 T1121 | T1034-V1101 PolarHBondContact OG1-O 3.15Å; T1035-V1101 HydrophobicContact CG2-CG1 4.47Å; A1047-V1101 HydrophobicContact CB-CB 3.64Å; A1047-V1101 HydrophobicContact CB-CG1 3.65Å; I1053-V1101 HydrophobicContact CD1-CG2 4.13Å; I1053-V1101 HydrophobicContact CG1-CG2 4.15Å; I1097-V1101 HydrophobicContact CG1-CG2 4.26Å; E1099-V1101 PolarHBondContact O-N 2.89Å; V1101-S1103 WeakPolarHBondContact CG1-O 3.29Å; V1101-L1104 HydrophobicContact CG1-CD2 4.07Å; V1101-L1104 HydrophobicContact CG1-CG 4.02Å; V1101-Y1119 HydrophobicContact CG2-CD2 3.97Å; V1101-T1120 WeakPolarHBondContact CA-O 2.96Å; V1101-T1121 HydrophobicContact CG2-CG2 4.21Å |
| 1102 | L | 97.9 | Very high | 94.7 | Very high | 37 Ų | 37 | 25.3 Ų | 25.3 | 19% | 0.194 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | -14.6 | -177.1 | -68.9 | -175.9 | 0 | 0 | 0 | 114 | I407 M408 T1034 T1035 T1100 T1120 L1122 | I407-L1102 VanDerWaalsContact O-CD1 3.3Å; I407-L1102 WeakPolarHBondContact O-CD1 3.46Å; M408-L1102 HydrophobicContact CE-CD1 4.35Å; M408-L1102 HydrophobicContact SD-CD1 4.26Å; T1034-L1102 HydrophobicContact CG2-CD2 4.08Å; T1035-L1102 WeakPolarHBondContact CB-O 3.2Å; T1035-L1102 VanDerWaalsContact CG2-C 3.44Å; T1035-L1102 WeakPolarHBondContact CG2-O 3.34Å; T1100-L1102 HydrophobicContact CG2-CD2 4.14Å; T1100-L1102 HydrophobicContact CG2-CG 4.48Å; L1102-T1120 PolarHBondContact N-O 2.93Å; L1102-L1122 HydrophobicContact CD1-CB 4.36Å; L1102-L1122 HydrophobicContact CD1-CD1 3.72Å |
| 1103 | S | 97.8 | Very high | 94.1 | Very high | 10 Ų | 10 | 25.5 Ų | 25.5 | 7% | 0.07 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 142.9 | 168.3 | 82.1 | 0 | 0 | 0 | 0 | 111.4 | C410 V1101 Y1119 T1120 | C410-S1103 WeakPolarHBondContact CB-OG 3.43Å; V1101-S1103 WeakPolarHBondContact CG1-O 3.29Å; S1103-Y1119 VanDerWaalsContact O-CA 3.3Å; S1103-Y1119 WeakPolarHBondContact O-CA 3.14Å; S1103-T1120 WeakPolarHBondContact CB-OG1 3.34Å; S1103-T1120 PolarHBondContact O-N 2.68Å; S1103-T1120 VanDerWaalsContact O-N 3.14Å; S1103-T1120 WeakPolarHBondContact OG-CB 3.33Å; S1103-T1120 WeakPolarHBondContact OG-CG2 3.49Å; S1103-T1120 PolarHBondContact OG-OG1 3Å |
| 1104 | L | 98.1 | Very high | 93.8 | Very high | 14 Ų | 14 | 27.1 Ų | 27.1 | 7% | 0.073 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 125.9 | 172.5 | -75.8 | 171.3 | 0 | 0 | 0 | 107.8 | T1035 C1037 A1045 A1047 I1053 V1101 L1117 V1118 | T1035-L1104 HydrophobicContact CG2-CB 4.47Å; T1035-L1104 HydrophobicContact CG2-CD1 4.3Å; T1035-L1104 HydrophobicContact CG2-CG 4.15Å; C1037-L1104 HydrophobicContact CB-CB 3.74Å; C1037-L1104 WeakPolarHBondContact CB-O 3.45Å; A1045-L1104 HydrophobicContact CB-CD1 4.29Å; A1047-L1104 HydrophobicContact CB-CD1 3.88Å; A1047-L1104 HydrophobicContact CB-CG 4.43Å; I1053-L1104 HydrophobicContact CD1-CD2 4.14Å; V1101-L1104 HydrophobicContact CG1-CD2 4.07Å; V1101-L1104 HydrophobicContact CG1-CG 4.02Å; L1104-L1117 HydrophobicContact CB-CD1 4.39Å; L1104-L1117 HydrophobicContact CD2-CD1 4.3Å; L1104-L1117 HydrophobicContact CD2-CD2 4.42Å; L1104-L1117 HydrophobicContact CD2-CG 4.31Å; L1104-V1118 WeakPolarHBondContact CA-O 3.25Å |
| 1105 | Q | 97.9 | Very high | 93.7 | Very high | 39 Ų | 39 | 31.6 Ų | 31.6 | 18% | 0.182 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 123.5 | 178.5 | -171 | 178.8 | -10.6 | 0 | 0 | 110.8 | I412 V1118 | I412-Q1105 PolarHBondContact O-NE2 3.09Å; Q1105-V1118 PolarHBondContact N-O 3.49Å; Q1105-V1118 PolarHBondContact O-N 2.93Å |
| 1106 | K | 97.4 | Very high | 93.6 | Very high | 78 Ų | 78 | 31.5 Ų | 31.5 | 34% | 0.339 | 20% | 0.2 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 118.1 | 168.7 | -168.7 | -176.7 | 70.2 | 146.2 | 0 | 109 | L1039 E1115 S1116 | L1039-K1106 HydrophobicContact CD2-CB 4.25Å; L1039-K1106 HydrophobicContact CD2-CD 4.26Å; L1039-K1106 PolarHBondContact O-NZ 3.26Å; L1039-K1106 VanDerWaalsContact O-NZ 3.14Å; K1106-E1115 WeakPolarHBondContact CD-OE2 3.49Å; K1106-E1115 WeakPolarHBondContact CE-OE2 3.33Å; K1106-E1115 IonicContact NZ-OE1 3.01Å; K1106-E1115 IonicContact NZ-OE2 2.93Å; K1106-E1115 PolarHBondContact NZ-OE2 2.96Å; K1106-S1116 WeakPolarHBondContact CA-O 3.41Å |
| 1107 | T | 95.9 | Very high | 93.6 | Very high | 26 Ų | 26 | 31.7 Ų | 31.7 | 16% | 0.16 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.1 | 174.2 | -177.7 | -166.2 | 0 | 0 | 0 | 0 | 111.8 | I412 L1109 S1116 V1118 | I412-T1107 HydrophobicContact CB-CG2 4.01Å; I412-T1107 HydrophobicContact CD1-CG2 3.73Å; I412-T1107 HydrophobicContact CG1-CG2 4.41Å; I412-T1107 HydrophobicContact CG2-CG2 3.93Å; T1107-L1109 HydrophobicContact CG2-CD2 4.43Å; T1107-S1116 PolarHBondContact N-O 2.87Å; T1107-S1116 PolarHBondContact O-N 3.13Å; T1107-S1116 VanDerWaalsContact O-O 3.06Å; T1107-V1118 HydrophobicContact CG2-CG2 3.7Å |
| 1108 | T | 94.1 | Very high | 93.6 | Very high | 45 Ų | 45 | 31.9 Ų | 31.9 | 28% | 0.276 | 20% | 0.202 | S | C | . | . | trans | -108.9 | 125.4 | 173.2 | -55 | 0 | 0 | 0 | 0 | 108.7 | I1110 | T1108-I1110 VanDerWaalsContact CG2-O 3.24Å; T1108-I1110 WeakPolarHBondContact CG2-O 3.32Å | ||
| 1109 | L | 89.8 | Confident | 93.8 | Very high | 2 Ų | 2 | 31 Ų | 31 | 1% | 0.01 | 19% | 0.193 | C | C | . | . | S | Bend | trans | -85.2 | -27 | -174.8 | -70.1 | 177.9 | 0 | 0 | 0 | 114 | L8 I412 T1107 V1118 I1128 F1217 | L8-L1109 HydrophobicContact CD1-CD1 3.56Å; I412-L1109 HydrophobicContact CD1-CD2 4.24Å; I412-L1109 HydrophobicContact CG2-CD2 4.49Å; T1107-L1109 HydrophobicContact CG2-CD2 4.43Å; L1109-V1118 HydrophobicContact CD1-CG2 4.25Å; L1109-V1118 HydrophobicContact CD2-CG2 3.91Å; L1109-V1118 HydrophobicContact CG-CG2 4.12Å; L1109-I1128 HydrophobicContact CD1-CG2 3.9Å; L1109-F1217 HydrophobicContact CB-CE1 4.35Å; L1109-F1217 HydrophobicContact CB-CZ 4.14Å; L1109-F1217 HydrophobicContact CD1-CE2 4.4Å; L1109-F1217 HydrophobicContact CD1-CZ 4.45Å; L1109-F1217 HydrophobicContact CD2-CZ 4.49Å |
| 1110 | I | 85.4 | Confident | 93.8 | Very high | 28 Ų | 28 | 30.5 Ų | 30.5 | 14% | 0.144 | 19% | 0.191 | C | C | . | . | S | Bend | trans | -132 | 140.4 | -177.2 | 50.4 | 158.9 | 0 | 0 | 0 | 110.8 | T1108 G1112 G1113 T1213 A1216 F1217 | T1108-I1110 VanDerWaalsContact CG2-O 3.24Å; T1108-I1110 WeakPolarHBondContact CG2-O 3.32Å; I1110-G1112 PolarHBondContact O-N 2.89Å; I1110-G1113 PolarHBondContact O-N 2.83Å; I1110-T1213 WeakPolarHBondContact CD1-O 3.37Å; I1110-A1216 WeakPolarHBondContact CD1-O 3.29Å; I1110-A1216 WeakPolarHBondContact CG2-O 3.29Å; I1110-F1217 HydrophobicContact CG2-CD1 3.81Å; I1110-F1217 HydrophobicContact CG2-CE1 3.79Å |
| 1111 | P | 80.4 | Confident | 93.8 | Very high | 60 Ų | 60 | 29 Ų | 29 | 39% | 0.39 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.4 | 129 | 172.6 | -27.2 | 35.4 | 0 | 0 | 0 | 111.9 | D419 T420 G1113 | D419-P1111 HydrophobicContact CB-CG 4.09Å; D419-P1111 WeakPolarHBondContact O-CG 3.42Å; T420-P1111 HydrophobicContact CG2-CG 4.19Å; P1111-G1113 PolarHBondContact O-N 3.03Å |
| 1112 | G | 78.6 | Confident | 93.8 | Very high | 88 Ų | 88 | 31.7 Ų | 31.7 | 91% | 0.907 | 20% | 0.195 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 79.9 | -4.7 | -176.4 | 0 | 0 | 0 | 0 | 0 | 115 | I1110 | I1110-G1112 PolarHBondContact O-N 2.89Š|
| 1113 | G | 85 | Confident | 93.7 | Very high | 20 Ų | 20 | 31.7 Ų | 31.7 | 21% | 0.206 | 20% | 0.198 | C | C | . | . | trans | -73 | 178.3 | 170.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | I1110 P1111 R1214 | I1110-G1113 PolarHBondContact O-N 2.83Å; P1111-G1113 PolarHBondContact O-N 3.03Å; G1113-R1214 WeakPolarHBondContact CA-O 3.27Å | ||
| 1114 | S | 91.3 | Very high | 93.6 | Very high | 35 Ų | 35 | 31.2 Ų | 31.2 | 25% | 0.245 | 20% | 0.195 | C | C | . | . | trans | -102.1 | 157.3 | 176.3 | -62.9 | 0 | 0 | 0 | 0 | 111.5 | S1116 R1214 | S1114-S1116 PolarHBondContact O-N 2.84Å; S1114-R1214 PolarHBondContact N-O 3.28Å | ||
| 1115 | E | 95.1 | Very high | 93.5 | Very high | 107 Ų | 107 | 30.7 Ų | 30.7 | 50% | 0.5 | 19% | 0.193 | S | C | . | . | trans | -59.2 | 138.5 | 176.2 | -67.6 | -170.9 | 165.7 | 0 | 0 | 111.1 | K1106 | K1106-E1115 WeakPolarHBondContact CD-OE2 3.49Å; K1106-E1115 WeakPolarHBondContact CE-OE2 3.33Å; K1106-E1115 IonicContact NZ-OE1 3.01Å; K1106-E1115 IonicContact NZ-OE2 2.93Å; K1106-E1115 PolarHBondContact NZ-OE2 2.96Å | ||
| 1116 | S | 96.4 | Very high | 93.5 | Very high | 2 Ų | 2 | 28.9 Ų | 28.9 | 1% | 0.014 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 157.4 | 171.7 | 62.9 | 0 | 0 | 0 | 0 | 110.1 | K1106 T1107 S1114 | K1106-S1116 WeakPolarHBondContact CA-O 3.41Å; T1107-S1116 PolarHBondContact N-O 2.87Å; T1107-S1116 PolarHBondContact O-N 3.13Å; T1107-S1116 VanDerWaalsContact O-O 3.06Å; S1114-S1116 PolarHBondContact O-N 2.84Å |
| 1117 | L | 98.1 | Very high | 93.5 | Very high | 10 Ų | 10 | 25.1 Ų | 25.1 | 5% | 0.052 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 101.4 | 172.9 | 175.8 | 62.6 | 0 | 0 | 0 | 108.6 | C1037 L1039 A1045 L1104 I1128 L1129 | C1037-L1117 HydrophobicContact CB-CD1 4.39Å; L1039-L1117 HydrophobicContact CD2-CD1 3.98Å; L1039-L1117 HydrophobicContact CD2-CD2 4.25Å; A1045-L1117 HydrophobicContact CB-CD2 3.78Å; L1104-L1117 HydrophobicContact CB-CD1 4.39Å; L1104-L1117 HydrophobicContact CD2-CD1 4.3Å; L1104-L1117 HydrophobicContact CD2-CD2 4.42Å; L1104-L1117 HydrophobicContact CD2-CG 4.31Å; L1117-I1128 CarbonylContact O-C 3.58Å; L1117-I1128 WeakPolarHBondContact O-CA 3.38Å; L1117-L1129 HydrophobicContact CB-CB 4.21Å; L1117-L1129 HydrophobicContact CD2-CD1 4.13Å; L1117-L1129 PolarHBondContact N-O 3.27Å; L1117-L1129 PolarHBondContact O-N 3.02Å |
| 1118 | V | 98.3 | Very high | 93.6 | Very high | 3 Ų | 3 | 23.9 Ų | 23.9 | 2% | 0.018 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 137.7 | 179.1 | -169.7 | 0 | 0 | 0 | 0 | 109.5 | I412 L1104 Q1105 T1107 L1109 I1126 I1128 | I412-V1118 HydrophobicContact CD1-CB 3.64Å; I412-V1118 HydrophobicContact CD1-CG1 3.55Å; I412-V1118 HydrophobicContact CD1-CG2 3.76Å; L1104-V1118 WeakPolarHBondContact CA-O 3.25Å; Q1105-V1118 PolarHBondContact N-O 3.49Å; Q1105-V1118 PolarHBondContact O-N 2.93Å; T1107-V1118 HydrophobicContact CG2-CG2 3.7Å; L1109-V1118 HydrophobicContact CD1-CG2 4.25Å; L1109-V1118 HydrophobicContact CD2-CG2 3.91Å; L1109-V1118 HydrophobicContact CG-CG2 4.12Å; V1118-I1126 HydrophobicContact CG1-CG2 4.07Å; V1118-I1128 HydrophobicContact CB-CG2 4.24Å; V1118-I1128 HydrophobicContact CG1-CG2 4.12Å; V1118-I1128 HydrophobicContact CG2-CG2 3.86Å |
| 1119 | Y | 98.4 | Very high | 93.8 | Very high | 3 Ų | 3 | 21.8 Ų | 21.8 | 1% | 0.012 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 146.1 | 176.3 | 68.5 | -99.2 | 0 | 0 | 0 | 111.1 | N5 I1053 I1097 V1101 S1103 T1121 I1126 G1127 L1129 | N5-Y1119 PolarHBondContact OD1-OH 3.07Å; I1053-Y1119 HydrophobicContact CD1-CD1 3.87Å; I1053-Y1119 HydrophobicContact CD1-CE1 4.39Å; I1053-Y1119 HydrophobicContact CD1-CG 3.95Å; I1097-Y1119 HydrophobicContact CD1-CE1 4.06Å; I1097-Y1119 HydrophobicContact CD1-CE2 4.12Å; I1097-Y1119 HydrophobicContact CG2-CE2 4.06Å; V1101-Y1119 HydrophobicContact CG2-CD2 3.97Å; S1103-Y1119 VanDerWaalsContact O-CA 3.3Å; S1103-Y1119 WeakPolarHBondContact O-CA 3.14Å; Y1119-T1121 HydrophobicContact CD2-CG2 3.92Å; Y1119-T1121 HydrophobicContact CE2-CG2 3.86Å; Y1119-I1126 WeakPolarHBondContact O-CA 3.38Å; Y1119-G1127 WeakPolarHBondContact CD1-O 3.35Å; Y1119-G1127 VanDerWaalsContact CZ-CA 3.43Å; Y1119-G1127 PolarHBondContact N-O 3.02Å; Y1119-G1127 PolarHBondContact O-N 3.05Å; Y1119-L1129 HydrophobicContact CD1-CG 4.44Å; Y1119-L1129 HydrophobicContact CE1-CG 4.37Å |
| 1120 | T | 98.3 | Very high | 94.1 | Very high | 1 Ų | 1 | 21.8 Ų | 21.8 | 1% | 0.006 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 143.9 | 171 | 71.6 | 0 | 0 | 0 | 0 | 110.9 | I407 C410 V1101 L1102 S1103 G1125 I1126 | I407-T1120 HydrophobicContact CG2-CG2 4.49Å; I407-T1120 WeakPolarHBondContact CG2-OG1 3.37Å; C410-T1120 HydrophobicContact CB-CG2 3.58Å; V1101-T1120 WeakPolarHBondContact CA-O 2.96Å; L1102-T1120 PolarHBondContact N-O 2.93Å; S1103-T1120 WeakPolarHBondContact CB-OG1 3.34Å; S1103-T1120 PolarHBondContact O-N 2.68Å; S1103-T1120 VanDerWaalsContact O-N 3.14Å; S1103-T1120 WeakPolarHBondContact OG-CB 3.33Å; S1103-T1120 WeakPolarHBondContact OG-CG2 3.49Å; S1103-T1120 PolarHBondContact OG-OG1 3Å; T1120-G1125 WeakPolarHBondContact CA-O 3.23Å; T1120-I1126 HydrophobicContact CG2-CG1 4.27Å |
| 1121 | T | 98.2 | Very high | 94.6 | Very high | 1 Ų | 1 | 23 Ų | 23 | 1% | 0.006 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 155.3 | -175.8 | 76.3 | 0 | 0 | 0 | 0 | 111.9 | I407 I1097 E1099 T1100 V1101 Y1119 S1123 G1124 G1125 | I407-T1121 WeakPolarHBondContact CB-O 3.47Å; I1097-T1121 HydrophobicContact CG2-CG2 4.26Å; E1099-T1121 HydrophobicContact CB-CG2 4.01Å; E1099-T1121 WeakPolarHBondContact OE2-CB 3.42Å; E1099-T1121 WeakPolarHBondContact OE2-CG2 3.12Å; E1099-T1121 PolarHBondContact OE2-OG1 2.96Å; T1100-T1121 CarbonylContact O-C 3.57Å; T1100-T1121 VanDerWaalsContact O-CA 3.28Å; T1100-T1121 WeakPolarHBondContact O-CA 3.26Å; V1101-T1121 HydrophobicContact CG2-CG2 4.21Å; Y1119-T1121 HydrophobicContact CD2-CG2 3.92Å; Y1119-T1121 HydrophobicContact CE2-CG2 3.86Å; T1121-S1123 PolarHBondContact O-N 3.44Å; T1121-G1124 PolarHBondContact O-N 3.13Å; T1121-G1125 PolarHBondContact N-O 3.01Å; T1121-G1125 VanDerWaalsContact OG1-CA 3.31Å; T1121-G1125 WeakPolarHBondContact OG1-CA 3.39Å; T1121-G1125 PolarHBondContact OG1-N 2.79Å; T1121-G1125 PolarHBondContact OG1-O 2.83Å |
| 1122 | L | 97.7 | Very high | 95.4 | Very high | 56 Ų | 56 | 21.7 Ų | 21.7 | 29% | 0.293 | 15% | 0.145 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59 | -31.4 | 176.5 | -177.4 | 67.4 | 0 | 0 | 0 | 111.7 | S405 P406 M408 T1100 L1102 G1124 | S405-L1122 PolarHBondContact OG-O 2.92Å; P406-L1122 VanDerWaalsContact CA-O 3.22Å; P406-L1122 WeakPolarHBondContact CA-O 3.43Å; P406-L1122 HydrophobicContact CB-CD1 3.49Å; P406-L1122 VanDerWaalsContact CB-CD1 3.49Å; P406-L1122 HydrophobicContact CB-CG 4.35Å; M408-L1122 HydrophobicContact SD-CD1 4.44Å; T1100-L1122 PolarHBondContact O-N 3.41Å; L1102-L1122 HydrophobicContact CD1-CB 4.36Å; L1102-L1122 HydrophobicContact CD1-CD1 3.72Å; L1122-G1124 PolarHBondContact O-N 3.14Å |
| 1123 | S | 96.4 | Very high | 96.1 | Very high | 37 Ų | 37 | 21.3 Ų | 21.3 | 26% | 0.259 | 13% | 0.126 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.6 | 9 | -178.7 | -57.4 | 0 | 0 | 0 | 0 | 114.2 | T12 G13 T1121 | T12-S1123 PolarHBondContact N-O 3.13Å; G13-S1123 PolarHBondContact N-O 3.38Å; T1121-S1123 PolarHBondContact O-N 3.44Å |
| 1124 | G | 95.6 | Very high | 96.6 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 13% | 0.129 | C | C | . | . | S | Bend | trans | 87.7 | 11.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | T1121 L1122 | T1121-G1124 PolarHBondContact O-N 3.13Å; L1122-G1124 PolarHBondContact O-N 3.14Å |
| 1125 | G | 95.6 | Very high | 96.8 | Very high | 3 Ų | 3 | 26.9 Ų | 26.9 | 3% | 0.031 | 15% | 0.147 | C | C | . | . | trans | -87.1 | 150.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113 | Q9 T1120 T1121 | Q9-G1125 CarbonylContact O-C 3.58Å; Q9-G1125 VanDerWaalsContact O-CA 3.31Å; Q9-G1125 WeakPolarHBondContact O-CA 3.04Å; T1120-G1125 WeakPolarHBondContact CA-O 3.23Å; T1121-G1125 PolarHBondContact N-O 3.01Å; T1121-G1125 VanDerWaalsContact OG1-CA 3.31Å; T1121-G1125 WeakPolarHBondContact OG1-CA 3.39Å; T1121-G1125 PolarHBondContact OG1-N 2.79Å; T1121-G1125 PolarHBondContact OG1-O 2.83Å | ||
| 1126 | I | 97.4 | Very high | 96.8 | Very high | 1 Ų | 1 | 29.2 Ų | 29.2 | 1% | 0.005 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 124 | 174.1 | -52.4 | 174.1 | 0 | 0 | 0 | 107.5 | L8 Q9 L404 I407 L423 L438 V1118 Y1119 T1120 | L8-I1126 PolarHBondContact N-O 3.36Å; Q9-I1126 HydrophobicContact CB-CB 3.95Å; Q9-I1126 HydrophobicContact CB-CD1 4.15Å; Q9-I1126 HydrophobicContact CB-CG1 4.06Å; Q9-I1126 PolarHBondContact N-O 2.87Å; Q9-I1126 PolarHBondContact O-N 2.8Å; L404-I1126 HydrophobicContact CD1-CD1 4.42Å; I407-I1126 HydrophobicContact CD1-CG1 4.36Å; L423-I1126 HydrophobicContact CD2-CD1 3.84Å; L423-I1126 HydrophobicContact CD2-CG2 4.13Å; L438-I1126 HydrophobicContact CD1-CD1 3.5Å; L438-I1126 VanDerWaalsContact CD1-CD1 3.5Å; V1118-I1126 HydrophobicContact CG1-CG2 4.07Å; Y1119-I1126 WeakPolarHBondContact O-CA 3.38Å; T1120-I1126 HydrophobicContact CG2-CG1 4.27Å |
| 1127 | G | 97.2 | Very high | 96.7 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 175.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | I6 Y1119 | I6-G1127 CarbonylContact O-C 3.54Å; I6-G1127 WeakPolarHBondContact O-CA 3.39Å; Y1119-G1127 WeakPolarHBondContact CD1-O 3.35Å; Y1119-G1127 VanDerWaalsContact CZ-CA 3.43Å; Y1119-G1127 PolarHBondContact N-O 3.02Å; Y1119-G1127 PolarHBondContact O-N 3.05Å |
| 1128 | I | 97.6 | Very high | 96.6 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 145.8 | -177.2 | 61.3 | 174.1 | 0 | 0 | 0 | 110.9 | I6 L8 L1109 L1117 V1118 V1130 A1216 | I6-I1128 HydrophobicContact CB-CD1 4.39Å; I6-I1128 HydrophobicContact CB-CG1 3.87Å; I6-I1128 HydrophobicContact CD1-CD1 4.38Å; I6-I1128 PolarHBondContact N-O 2.72Å; I6-I1128 PolarHBondContact O-N 2.75Å; L8-I1128 HydrophobicContact CD1-CG2 3.69Å; L8-I1128 HydrophobicContact CD2-CD1 4.17Å; L8-I1128 HydrophobicContact CD2-CG1 4.44Å; L8-I1128 HydrophobicContact CG-CG2 4.18Å; L1109-I1128 HydrophobicContact CD1-CG2 3.9Å; L1117-I1128 CarbonylContact O-C 3.58Å; L1117-I1128 WeakPolarHBondContact O-CA 3.38Å; V1118-I1128 HydrophobicContact CB-CG2 4.24Å; V1118-I1128 HydrophobicContact CG1-CG2 4.12Å; V1118-I1128 HydrophobicContact CG2-CG2 3.86Å; I1128-V1130 HydrophobicContact CD1-CG2 3.67Å; I1128-V1130 HydrophobicContact CG1-CG2 4.02Å; I1128-A1216 HydrophobicContact CD1-CB 3.73Å |
| 1129 | L | 98.3 | Very high | 96.6 | Very high | 1 Ų | 1 | 34.3 Ų | 34.3 | 1% | 0.005 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 119.3 | 165.8 | -68.4 | 169.2 | 0 | 0 | 0 | 108.7 | L3 Y4 N5 I1053 L1117 Y1119 V1173 | L3-L1129 HydrophobicContact CB-CD2 4.42Å; L3-L1129 HydrophobicContact CD1-CB 4.15Å; L3-L1129 HydrophobicContact CD1-CD1 4.2Å; Y4-L1129 WeakPolarHBondContact O-CA 2.96Å; N5-L1129 HydrophobicContact CB-CD2 3.94Å; I1053-L1129 HydrophobicContact CD1-CD1 4Å; I1053-L1129 HydrophobicContact CG2-CD1 3.92Å; L1117-L1129 HydrophobicContact CB-CB 4.21Å; L1117-L1129 HydrophobicContact CD2-CD1 4.13Å; L1117-L1129 PolarHBondContact N-O 3.27Å; L1117-L1129 PolarHBondContact O-N 3.02Å; Y1119-L1129 HydrophobicContact CD1-CG 4.44Å; Y1119-L1129 HydrophobicContact CE1-CG 4.37Å; L1129-V1173 HydrophobicContact CD2-CG1 4.16Å |
| 1130 | V | 97 | Very high | 96.6 | Very high | 2 Ų | 2 | 35.3 Ų | 35.3 | 1% | 0.012 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 128.9 | -174.2 | 171.7 | 0 | 0 | 0 | 0 | 110.1 | L3 Y4 I6 I1128 I1211 Y1215 | L3-V1130 CarbonylContact C-O 3.48Å; L3-V1130 VanDerWaalsContact CA-O 3.24Å; L3-V1130 WeakPolarHBondContact CA-O 3.38Å; Y4-V1130 PolarHBondContact N-O 3.48Å; Y4-V1130 PolarHBondContact O-N 2.8Å; I6-V1130 HydrophobicContact CD1-CG2 4.42Å; I1128-V1130 HydrophobicContact CD1-CG2 3.67Å; I1128-V1130 HydrophobicContact CG1-CG2 4.02Å; V1130-I1211 HydrophobicContact CG1-CG2 4.11Å; V1130-Y1215 HydrophobicContact CB-CD1 4.44Å; V1130-Y1215 HydrophobicContact CB-CG 4.32Å; V1130-Y1215 HydrophobicContact CG1-CD1 3.62Å; V1130-Y1215 HydrophobicContact CG1-CD2 3.36Å; V1130-Y1215 HydrophobicContact CG1-CE1 3.63Å; V1130-Y1215 HydrophobicContact CG1-CE2 3.41Å; V1130-Y1215 VanDerWaalsContact CG1-CE2 3.41Å; V1130-Y1215 HydrophobicContact CG1-CG 3.47Å; V1130-Y1215 VanDerWaalsContact CG1-CG 3.47Å; V1130-Y1215 HydrophobicContact CG2-CD1 4.22Å; V1130-Y1215 HydrophobicContact CG2-CD2 4.38Å; V1130-Y1215 HydrophobicContact CG2-CG 3.88Å |
| 1131 | P | 96.9 | Very high | 96.5 | Very high | 52 Ų | 52 | 35.2 Ų | 35.2 | 34% | 0.338 | 19% | 0.188 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 135.8 | 173.2 | 30.8 | -33.6 | 0 | 0 | 0 | 111.8 | L3 Y1215 | L3-P1131 HydrophobicContact CD2-CB 4.25Å; P1131-Y1215 HydrophobicContact CG-CE1 4.28Å; P1131-Y1215 PolarHBondContact O-OH 3.33Å; P1131-Y1215 VanDerWaalsContact O-OH 3.12Å |
| 1132 | F | 95.5 | Very high | 96.5 | Very high | 33 Ų | 33 | 38.7 Ų | 38.7 | 15% | 0.145 | 20% | 0.204 | C | C | . | . | trans | -68.3 | 143.2 | 171.4 | -75.7 | -73.4 | 0 | 0 | 0 | 112.1 | F2 Y4 D1137 H1138 F1141 I1174 | F2-F1132 HydrophobicContact CB-CD2 3.74Å; F2-F1132 HydrophobicContact CB-CE2 4.5Å; F2-F1132 PolarHBondContact O-N 3.25Å; Y4-F1132 HydrophobicContact CD2-CE1 4.38Å; Y4-F1132 HydrophobicContact CD2-CE2 4.49Å; Y4-F1132 AromaticContact CD2-CZ 3.72Å; Y4-F1132 HydrophobicContact CD2-CZ 3.72Å; Y4-F1132 HydrophobicContact CG-CZ 4.11Å; F1132-D1137 HydrophobicContact CD1-CB 3.97Å; F1132-D1137 HydrophobicContact CE1-CB 4.47Å; F1132-H1138 HydrophobicContact CB-CB 4.42Å; F1132-H1138 HydrophobicContact CD1-CB 4.49Å; F1132-H1138 HydrophobicContact CD2-CB 4.14Å; F1132-H1138 HydrophobicContact CG-CB 4.1Å; F1132-F1141 HydrophobicContact CE1-CB 4.06Å; F1132-F1141 AromaticContact CE1-CD2 3.54Å; F1132-F1141 HydrophobicContact CE1-CD2 3.54Å; F1132-F1141 HydrophobicContact CE1-CE2 4.23Å; F1132-F1141 AromaticContact CE1-CG 3.99Å; F1132-F1141 HydrophobicContact CE1-CG 3.99Å; F1132-F1141 HydrophobicContact CZ-CB 3.85Å; F1132-F1141 HydrophobicContact CZ-CD2 4.21Å; F1132-F1141 HydrophobicContact CZ-CG 4.2Å; F1132-I1174 HydrophobicContact CE2-CB 4.41Å; F1132-I1174 HydrophobicContact CE2-CG1 3.97Å; F1132-I1174 HydrophobicContact CZ-CB 4.38Å; F1132-I1174 HydrophobicContact CZ-CG1 4.16Å | ||
| 1133 | T | 93.3 | Very high | 96.5 | Very high | 81 Ų | 81 | 40.3 Ų | 40.3 | 50% | 0.497 | 21% | 0.21 | S | C | . | . | S | Bend | trans | -89 | -26.3 | 178.3 | 50.3 | 0 | 0 | 0 | 0 | 114.4 | Y1215 | T1133-Y1215 WeakPolarHBondContact CG2-OH 3.44Š|
| 1134 | S | 95.5 | Very high | 96.6 | Very high | 40 Ų | 40 | 38.5 Ų | 38.5 | 28% | 0.28 | 20% | 0.198 | S | C | . | . | trans | -139 | 157.8 | -179 | 78.8 | 0 | 0 | 0 | 0 | 110.8 | E1136 D1137 H1138 | S1134-E1136 VanDerWaalsContact C-N 3.31Å; S1134-D1137 PolarHBondContact OG-N 2.87Å; S1134-D1137 VanDerWaalsContact OG-N 3.07Å; S1134-D1137 PolarHBondContact OG-OD2 2.89Å; S1134-H1138 PolarHBondContact O-N 2.9Å | ||
| 1135 | H | 95.4 | Very high | 96.7 | Very high | 131 Ų | 131 | 38.7 Ų | 38.7 | 61% | 0.606 | 20% | 0.199 | S | C | * | . | H | α-helix | trans | -68.2 | -32.8 | 172.1 | -80.5 | -85.1 | 0 | 0 | 0 | 112 | F2 D1137 H1138 D1139 | F2-H1135 AromaticContact CE2-CE1 3.76Å; H1135-D1137 VanDerWaalsContact C-N 3.32Å; H1135-D1137 PolarHBondContact O-N 3.15Å; H1135-H1138 WeakPolarHBondContact O-CB 3.46Å; H1135-H1138 PolarHBondContact O-N 2.79Å; H1135-D1139 WeakPolarHBondContact O-CB 3.43Å; H1135-D1139 PolarHBondContact O-N 3.03Å |
| 1136 | E | 95.6 | Very high | 96.8 | Very high | 157 Ų | 157 | 43.4 Ų | 43.4 | 73% | 0.734 | 22% | 0.221 | S | C | * | . | H | α-helix | trans | -63.1 | -38.9 | 177.9 | -64.1 | 174.2 | -173.4 | 0 | 0 | 111.9 | S1134 F1140 | S1134-E1136 VanDerWaalsContact C-N 3.31Å; E1136-F1140 VanDerWaalsContact O-CB 3.29Å; E1136-F1140 WeakPolarHBondContact O-CB 3.32Å; E1136-F1140 PolarHBondContact O-N 2.91Å |
| 1137 | D | 95 | Very high | 96.8 | Very high | 36 Ų | 36 | 45.2 Ų | 45.2 | 19% | 0.193 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -67.6 | -47.6 | 174.6 | -63.3 | -41.3 | 0 | 0 | 0 | 110.7 | F1132 S1134 H1135 D1139 F1140 F1141 K1207 | F1132-D1137 HydrophobicContact CD1-CB 3.97Å; F1132-D1137 HydrophobicContact CE1-CB 4.47Å; S1134-D1137 PolarHBondContact OG-N 2.87Å; S1134-D1137 VanDerWaalsContact OG-N 3.07Å; S1134-D1137 PolarHBondContact OG-OD2 2.89Å; H1135-D1137 VanDerWaalsContact C-N 3.32Å; H1135-D1137 PolarHBondContact O-N 3.15Å; D1137-D1139 VanDerWaalsContact C-N 3.3Å; D1137-D1139 PolarHBondContact O-N 3.03Å; D1137-F1140 PolarHBondContact O-N 3.14Å; D1137-F1141 VanDerWaalsContact O-CD2 3.22Å; D1137-F1141 WeakPolarHBondContact O-CD2 3.4Å; D1137-F1141 PolarHBondContact O-N 3.45Å; D1137-K1207 WeakPolarHBondContact OD1-CE 2.86Å; D1137-K1207 IonicContact OD1-NZ 2.75Å; D1137-K1207 PolarHBondContact OD1-NZ 3.47Å |
| 1138 | H | 96.5 | Very high | 96.8 | Very high | 14 Ų | 14 | 45.2 Ų | 45.2 | 7% | 0.065 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -52.6 | -50.5 | 175.3 | 166.4 | -93.2 | 0 | 0 | 0 | 111.6 | F2 F1132 S1134 H1135 F1140 F1141 Q1142 | F2-H1138 AromaticContact CD1-CD2 3.54Å; F2-H1138 AromaticContact CD1-NE2 3.31Å; F2-H1138 VanDerWaalsContact CD1-NE2 3.31Å; F2-H1138 WeakPolarHBondContact CD1-NE2 3.37Å; F2-H1138 AromaticContact CE1-CE1 3.99Å; F2-H1138 AromaticContact CE1-NE2 3.69Å; F2-H1138 AromaticContact CG-CD2 3.55Å; F2-H1138 AromaticContact CG-NE2 3.85Å; F1132-H1138 HydrophobicContact CB-CB 4.42Å; F1132-H1138 HydrophobicContact CD1-CB 4.49Å; F1132-H1138 HydrophobicContact CD2-CB 4.14Å; F1132-H1138 HydrophobicContact CG-CB 4.1Å; S1134-H1138 PolarHBondContact O-N 2.9Å; H1135-H1138 WeakPolarHBondContact O-CB 3.46Å; H1135-H1138 PolarHBondContact O-N 2.79Å; H1138-F1140 PolarHBondContact O-N 3.31Å; H1138-F1141 PolarHBondContact O-N 2.88Å; H1138-Q1142 PolarHBondContact CE1-OE1 3.12Å; H1138-Q1142 VanDerWaalsContact CE1-OE1 3.3Å; H1138-Q1142 VanDerWaalsContact O-CB 3.24Å; H1138-Q1142 WeakPolarHBondContact O-CB 3.3Å; H1138-Q1142 PolarHBondContact O-N 3.25Å |
| 1139 | D | 97.1 | Very high | 96.7 | Very high | 72 Ų | 72 | 48.1 Ų | 48.1 | 39% | 0.385 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -65.6 | -41.4 | -177.6 | -64.9 | -8.5 | 0 | 0 | 0 | 110.6 | H1135 D1137 Q1142 H1143 | H1135-D1139 WeakPolarHBondContact O-CB 3.43Å; H1135-D1139 PolarHBondContact O-N 3.03Å; D1137-D1139 VanDerWaalsContact C-N 3.3Å; D1137-D1139 PolarHBondContact O-N 3.03Å; D1139-Q1142 PolarHBondContact O-N 3.29Å; D1139-H1143 PolarHBondContact O-N 3.33Å; D1139-H1143 PolarHBondContact O-ND1 3.34Å |
| 1140 | F | 97.6 | Very high | 96.5 | Very high | 23 Ų | 23 | 51.8 Ų | 51.8 | 10% | 0.101 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -57.3 | -52.7 | 174.9 | 173.1 | -92 | 0 | 0 | 0 | 112.2 | E1136 D1137 H1138 Q1142 H1143 L1144 L1197 R1199 V1204 K1207 | E1136-F1140 VanDerWaalsContact O-CB 3.29Å; E1136-F1140 WeakPolarHBondContact O-CB 3.32Å; E1136-F1140 PolarHBondContact O-N 2.91Å; D1137-F1140 PolarHBondContact O-N 3.14Å; H1138-F1140 PolarHBondContact O-N 3.31Å; F1140-Q1142 VanDerWaalsContact C-N 3.3Å; F1140-Q1142 PolarHBondContact O-N 3.08Å; F1140-H1143 PolarHBondContact O-N 3.1Å; F1140-L1144 HydrophobicContact CE1-CD2 4.34Å; F1140-L1144 PolarHBondContact O-N 3.27Å; F1140-L1197 HydrophobicContact CE2-CB 4.34Å; F1140-L1197 HydrophobicContact CE2-CD1 4.01Å; F1140-L1197 HydrophobicContact CZ-CD1 4.31Å; F1140-R1199 HydrophobicContact CE2-CG 4.49Å; F1140-V1204 HydrophobicContact CZ-CG1 4.26Å; F1140-V1204 HydrophobicContact CZ-CG2 4.27Å; F1140-K1207 HydrophobicContact CD1-CD 3.65Å; F1140-K1207 HydrophobicContact CD1-CG 4.29Å; F1140-K1207 HydrophobicContact CD2-CD 4.46Å; F1140-K1207 HydrophobicContact CE1-CB 4.27Å; F1140-K1207 HydrophobicContact CE1-CD 3.58Å; F1140-K1207 HydrophobicContact CE1-CG 3.95Å; F1140-K1207 HydrophobicContact CE2-CD 4.39Å; F1140-K1207 HydrophobicContact CG-CD 4.11Å; F1140-K1207 HydrophobicContact CZ-CD 3.97Å |
| 1141 | F | 97.8 | Very high | 96.5 | Very high | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -69.2 | -30.9 | -178.3 | -79.3 | -84.4 | 0 | 0 | 0 | 111.9 | Y4 F1132 D1137 H1138 L1144 E1145 I1174 K1207 L1208 I1211 | Y4-F1141 HydrophobicContact CD2-CD1 4.25Å; Y4-F1141 HydrophobicContact CD2-CG 4.47Å; Y4-F1141 HydrophobicContact CE2-CB 4.38Å; Y4-F1141 AromaticContact CE2-CD1 3.47Å; Y4-F1141 HydrophobicContact CE2-CD1 3.47Å; Y4-F1141 VanDerWaalsContact CE2-CD1 3.47Å; Y4-F1141 AromaticContact CE2-CE1 3.91Å; Y4-F1141 HydrophobicContact CE2-CE1 3.91Å; Y4-F1141 HydrophobicContact CE2-CG 4.1Å; Y4-F1141 AromaticContact CZ-CD1 3.9Å; Y4-F1141 AromaticContact CZ-CE1 3.86Å; F1132-F1141 HydrophobicContact CE1-CB 4.06Å; F1132-F1141 AromaticContact CE1-CD2 3.54Å; F1132-F1141 HydrophobicContact CE1-CD2 3.54Å; F1132-F1141 HydrophobicContact CE1-CE2 4.23Å; F1132-F1141 AromaticContact CE1-CG 3.99Å; F1132-F1141 HydrophobicContact CE1-CG 3.99Å; F1132-F1141 HydrophobicContact CZ-CB 3.85Å; F1132-F1141 HydrophobicContact CZ-CD2 4.21Å; F1132-F1141 HydrophobicContact CZ-CG 4.2Å; D1137-F1141 VanDerWaalsContact O-CD2 3.22Å; D1137-F1141 WeakPolarHBondContact O-CD2 3.4Å; D1137-F1141 PolarHBondContact O-N 3.45Å; H1138-F1141 PolarHBondContact O-N 2.88Å; F1141-L1144 PolarHBondContact O-N 2.81Å; F1141-E1145 WeakPolarHBondContact O-CB 3.49Å; F1141-E1145 PolarHBondContact O-N 2.87Å; F1141-I1174 HydrophobicContact CB-CG2 4.2Å; F1141-K1207 HydrophobicContact CE2-CG 4.11Å; F1141-K1207 HydrophobicContact CZ-CG 4.07Å; F1141-L1208 HydrophobicContact CD1-CD2 4.14Å; F1141-L1208 HydrophobicContact CE1-CD2 3.53Å; F1141-I1211 HydrophobicContact CE1-CG1 4.28Å; F1141-I1211 HydrophobicContact CE2-CD1 4.09Å; F1141-I1211 HydrophobicContact CE2-CG1 4.02Å; F1141-I1211 HydrophobicContact CZ-CD1 4.13Å; F1141-I1211 HydrophobicContact CZ-CG1 3.54Å |
| 1142 | Q | 97.6 | Very high | 96.4 | Very high | 74 Ų | 74 | 54.4 Ų | 54.4 | 35% | 0.346 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -63.9 | -46 | 172.8 | -175.1 | 176.8 | 26.5 | 0 | 0 | 111.9 | H1138 D1139 F1140 E1145 M1146 I1174 | H1138-Q1142 PolarHBondContact CE1-OE1 3.12Å; H1138-Q1142 VanDerWaalsContact CE1-OE1 3.3Å; H1138-Q1142 VanDerWaalsContact O-CB 3.24Å; H1138-Q1142 WeakPolarHBondContact O-CB 3.3Å; H1138-Q1142 PolarHBondContact O-N 3.25Å; D1139-Q1142 PolarHBondContact O-N 3.29Å; F1140-Q1142 VanDerWaalsContact C-N 3.3Å; F1140-Q1142 PolarHBondContact O-N 3.08Å; Q1142-E1145 PolarHBondContact O-N 2.94Å; Q1142-M1146 HydrophobicContact CG-SD 4.33Å; Q1142-M1146 VanDerWaalsContact O-CG 3.28Å; Q1142-M1146 WeakPolarHBondContact O-CG 3.46Å; Q1142-M1146 PolarHBondContact O-N 3.13Å; Q1142-I1174 HydrophobicContact CB-CD1 3.87Å; Q1142-I1174 HydrophobicContact CG-CD1 4.06Å |
| 1143 | H | 97.8 | Very high | 96.4 | Very high | 89 Ų | 89 | 56.1 Ų | 56.1 | 41% | 0.412 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -64.6 | -45.1 | 175.9 | -72.3 | 85.2 | 0 | 0 | 0 | 110.8 | D1139 F1140 E1145 M1146 H1147 L1197 | D1139-H1143 PolarHBondContact O-N 3.33Å; D1139-H1143 PolarHBondContact O-ND1 3.34Å; F1140-H1143 PolarHBondContact O-N 3.1Å; H1143-E1145 VanDerWaalsContact C-N 3.31Å; H1143-E1145 PolarHBondContact O-N 2.78Å; H1143-M1146 WeakPolarHBondContact O-CA 3.21Å; H1143-M1146 WeakPolarHBondContact O-CB 3.22Å; H1143-M1146 PolarHBondContact O-N 2.91Å; H1143-H1147 PolarHBondContact O-CD2 3.25Å; H1143-H1147 PolarHBondContact O-N 3.03Å; H1143-L1197 HydrophobicContact CB-CD2 3.7Å |
| 1144 | L | 97.8 | Very high | 96.6 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -55.2 | -47.7 | 175.8 | -180 | 61.2 | 0 | 0 | 0 | 111.4 | F1140 F1141 M1146 H1147 M1148 C1179 F1182 V1193 L1197 V1204 L1208 | F1140-L1144 HydrophobicContact CE1-CD2 4.34Å; F1140-L1144 PolarHBondContact O-N 3.27Å; F1141-L1144 PolarHBondContact O-N 2.81Å; L1144-M1146 VanDerWaalsContact C-N 3.32Å; L1144-M1146 PolarHBondContact O-N 2.81Å; L1144-H1147 PolarHBondContact O-N 2.86Å; L1144-M1148 HydrophobicContact CD1-CG 4.17Å; L1144-M1148 HydrophobicContact CG-CG 4.4Å; L1144-M1148 WeakPolarHBondContact O-CB 3.16Å; L1144-M1148 VanDerWaalsContact O-CG 3.23Å; L1144-M1148 WeakPolarHBondContact O-CG 3.39Å; L1144-M1148 PolarHBondContact O-N 2.56Å; L1144-C1179 HydrophobicContact CD2-CB 4.06Å; L1144-C1179 HydrophobicContact CG-CB 4.47Å; L1144-F1182 HydrophobicContact CD1-CD2 4.05Å; L1144-V1193 HydrophobicContact CD1-CG1 3.98Å; L1144-L1197 HydrophobicContact CB-CD1 4.25Å; L1144-L1197 HydrophobicContact CD1-CD1 4.02Å; L1144-V1204 HydrophobicContact CD1-CG1 4.18Å; L1144-V1204 HydrophobicContact CD2-CG1 4.11Å; L1144-L1208 HydrophobicContact CD2-CD2 3.6Å; L1144-L1208 HydrophobicContact CD2-CG 4.3Å |
| 1145 | E | 98.1 | Very high | 96.7 | Very high | 4 Ų | 4 | 51.3 Ų | 51.3 | 2% | 0.019 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -60 | -41.8 | 176.3 | -166 | -166.6 | -170.9 | 0 | 0 | 111.7 | F1141 Q1142 H1143 M1148 R1149 H1160 I1174 D1175 L1178 | F1141-E1145 WeakPolarHBondContact O-CB 3.49Å; F1141-E1145 PolarHBondContact O-N 2.87Å; Q1142-E1145 PolarHBondContact O-N 2.94Å; H1143-E1145 VanDerWaalsContact C-N 3.31Å; H1143-E1145 PolarHBondContact O-N 2.78Å; E1145-M1148 PolarHBondContact O-N 3.02Å; E1145-R1149 WeakPolarHBondContact O-CG 3.31Å; E1145-R1149 PolarHBondContact O-N 3.38Å; E1145-R1149 IonicContact OE1-CZ 2.98Å; E1145-R1149 IonicContact OE1-NE 2.89Å; E1145-R1149 IonicContact OE1-NH2 2.6Å; E1145-R1149 PolarHBondContact OE1-NH2 2.76Å; E1145-R1149 IonicContact OE2-CZ 2.75Å; E1145-R1149 IonicContact OE2-NH2 3.88Å; E1145-R1149 PolarHBondContact OE2-NH2 3.24Å; E1145-H1160 IonicContact OE1-CE1 2.63Å; E1145-H1160 PolarHBondContact OE1-CE1 3.28Å; E1145-H1160 IonicContact OE1-ND1 3.14Å; E1145-I1174 HydrophobicContact CB-CG2 3.96Å; E1145-I1174 HydrophobicContact CG-CG2 4.26Å; E1145-I1174 WeakPolarHBondContact OE2-CD1 3.18Å; E1145-D1175 PolarHBondContact OE1-N 2.88Å; E1145-L1178 HydrophobicContact CG-CD2 4.07Å |
| 1146 | M | 97.3 | Very high | 96.7 | Very high | 101 Ų | 101 | 45 Ų | 45 | 50% | 0.498 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -61.5 | -45.4 | 176.7 | -73 | 173.1 | 57.7 | 0 | 0 | 112.5 | Q1142 H1143 L1144 R1149 | Q1142-M1146 HydrophobicContact CG-SD 4.33Å; Q1142-M1146 VanDerWaalsContact O-CG 3.28Å; Q1142-M1146 WeakPolarHBondContact O-CG 3.46Å; Q1142-M1146 PolarHBondContact O-N 3.13Å; H1143-M1146 WeakPolarHBondContact O-CA 3.21Å; H1143-M1146 WeakPolarHBondContact O-CB 3.22Å; H1143-M1146 PolarHBondContact O-N 2.91Å; L1144-M1146 VanDerWaalsContact C-N 3.32Å; L1144-M1146 PolarHBondContact O-N 2.81Å; M1146-R1149 PolarHBondContact O-N 2.89Å |
| 1147 | H | 97.3 | Very high | 96.7 | Very high | 39 Ų | 39 | 37.8 Ų | 37.8 | 18% | 0.181 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -63.9 | -47 | 175.9 | -70.2 | -72.7 | 0 | 0 | 0 | 110.9 | H1143 L1144 R1149 S1150 E1151 V1193 E1196 | H1143-H1147 PolarHBondContact O-CD2 3.25Å; H1143-H1147 PolarHBondContact O-N 3.03Å; L1144-H1147 PolarHBondContact O-N 2.86Å; H1147-R1149 VanDerWaalsContact C-N 3.3Å; H1147-R1149 PolarHBondContact O-N 3.23Å; H1147-S1150 PolarHBondContact O-N 2.75Å; H1147-S1150 PolarHBondContact O-OG 3.08Å; H1147-E1151 PolarHBondContact O-N 3.19Å; H1147-V1193 HydrophobicContact CB-CG1 3.9Å; H1147-V1193 HydrophobicContact CB-CG2 4.17Å; H1147-E1196 IonicContact CE1-OE2 3.3Å; H1147-E1196 PolarHBondContact CE1-OE2 3.09Å; H1147-E1196 IonicContact CG-OE2 2.69Å; H1147-E1196 IonicContact ND1-OE2 3.06Å; H1147-E1196 PolarHBondContact ND1-OE2 2.57Å; H1147-E1196 IonicContact NE2-OE2 3.74Å |
| 1148 | M | 97.3 | Very high | 96.8 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -58.6 | -38.8 | 179.1 | -72.1 | -57.4 | -63.7 | 0 | 0 | 112.8 | L1144 E1145 S1150 F1152 L1178 Q1181 F1182 M1185 | L1144-M1148 HydrophobicContact CD1-CG 4.17Å; L1144-M1148 HydrophobicContact CG-CG 4.4Å; L1144-M1148 WeakPolarHBondContact O-CB 3.16Å; L1144-M1148 VanDerWaalsContact O-CG 3.23Å; L1144-M1148 WeakPolarHBondContact O-CG 3.39Å; L1144-M1148 PolarHBondContact O-N 2.56Å; E1145-M1148 PolarHBondContact O-N 3.02Å; M1148-S1150 PolarHBondContact O-N 2.99Å; M1148-F1152 HydrophobicContact CE-CB 3.73Å; M1148-F1152 HydrophobicContact CE-CD1 4.36Å; M1148-F1152 HydrophobicContact CE-CG 4.23Å; M1148-F1152 CarbonylContact O-C 3.56Å; M1148-F1152 VanDerWaalsContact O-C 3.29Å; M1148-F1152 WeakPolarHBondContact O-CA 3.27Å; M1148-F1152 PolarHBondContact O-N 3Å; M1148-L1178 HydrophobicContact CB-CD1 4.33Å; M1148-L1178 HydrophobicContact CB-CD2 4.16Å; M1148-L1178 HydrophobicContact CB-CG 3.95Å; M1148-Q1181 HydrophobicContact CE-CB 3.95Å; M1148-F1182 HydrophobicContact CE-CB 4.37Å; M1148-F1182 HydrophobicContact SD-CB 4.01Å; M1148-F1182 HydrophobicContact SD-CD2 4.17Å; M1148-M1185 HydrophobicContact CE-CE 4.26Å; M1148-M1185 HydrophobicContact CE-CG 4.13Å; M1148-M1185 HydrophobicContact CE-SD 3.85Å; M1148-M1185 HydrophobicContact SD-CE 3.49Å; M1148-M1185 WeakPolarHBondContact SD-CE 3.18Å; M1148-M1185 HydrophobicContact SD-SD 3.65Å; M1148-M1185 VanDerWaalsContact SD-SD 3.65Å |
| 1149 | R | 96.4 | Very high | 96.8 | Very high | 61 Ų | 61 | 39.9 Ų | 39.9 | 23% | 0.23 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -58.3 | -32.2 | 175.6 | -73.1 | 166.4 | -175.8 | 179.4 | 0 | 113 | E1145 M1146 H1147 H1160 L1178 | E1145-R1149 WeakPolarHBondContact O-CG 3.31Å; E1145-R1149 PolarHBondContact O-N 3.38Å; E1145-R1149 IonicContact OE1-CZ 2.98Å; E1145-R1149 IonicContact OE1-NE 2.89Å; E1145-R1149 IonicContact OE1-NH2 2.6Å; E1145-R1149 PolarHBondContact OE1-NH2 2.76Å; E1145-R1149 IonicContact OE2-CZ 2.75Å; E1145-R1149 IonicContact OE2-NH2 3.88Å; E1145-R1149 PolarHBondContact OE2-NH2 3.24Å; M1146-R1149 PolarHBondContact O-N 2.89Å; H1147-R1149 VanDerWaalsContact C-N 3.3Å; H1147-R1149 PolarHBondContact O-N 3.23Å; R1149-H1160 HydrophobicContact CG-CB 4.11Å; R1149-H1160 PolarHBondContact NE-ND1 3.18Å; R1149-L1178 HydrophobicContact CG-CD2 3.67Å |
| 1150 | S | 94.8 | Very high | 96.9 | Very high | 78 Ų | 78 | 36.6 Ų | 36.6 | 55% | 0.545 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -90.8 | -46.1 | -179.8 | 62.9 | 0 | 0 | 0 | 0 | 113.2 | H1147 M1148 | H1147-S1150 PolarHBondContact O-N 2.75Å; H1147-S1150 PolarHBondContact O-OG 3.08Å; M1148-S1150 PolarHBondContact O-N 2.99Å |
| 1151 | E | 95.6 | Very high | 96.9 | Very high | 68 Ų | 68 | 39.1 Ų | 39.1 | 32% | 0.318 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -82.1 | -27.6 | -173 | -72.1 | -57 | 139.2 | 0 | 0 | 113.2 | H1147 M1185 K1189 V1193 | H1147-E1151 PolarHBondContact O-N 3.19Å; E1151-M1185 HydrophobicContact CB-SD 4.42Å; E1151-K1189 PolarHBondContact O-NZ 3.15Å; E1151-K1189 IonicContact OE2-NZ 3.84Å; E1151-V1193 HydrophobicContact CG-CG2 4.11Å |
| 1152 | F | 95.2 | Very high | 96.9 | Very high | 41 Ų | 41 | 41.2 Ų | 41.2 | 18% | 0.18 | 22% | 0.216 | C | C | . | . | S | Bend | trans | -132.5 | 67.1 | 179.7 | -156.7 | -102.1 | 0 | 0 | 0 | 111 | M56 M1148 Q1181 M1185 | M56-F1152 HydrophobicContact CE-CE1 4.27Å; M56-F1152 HydrophobicContact CE-CZ 3.89Å; M1148-F1152 HydrophobicContact CE-CB 3.73Å; M1148-F1152 HydrophobicContact CE-CD1 4.36Å; M1148-F1152 HydrophobicContact CE-CG 4.23Å; M1148-F1152 CarbonylContact O-C 3.56Å; M1148-F1152 VanDerWaalsContact O-C 3.29Å; M1148-F1152 WeakPolarHBondContact O-CA 3.27Å; M1148-F1152 PolarHBondContact O-N 3Å; F1152-Q1181 HydrophobicContact CD1-CB 4.05Å; F1152-Q1181 VanDerWaalsContact CD1-OE1 3.23Å; F1152-Q1181 HydrophobicContact CE1-CB 4.07Å; F1152-Q1181 HydrophobicContact CE1-CG 4.49Å; F1152-Q1181 VanDerWaalsContact CE1-OE1 3.25Å; F1152-M1185 HydrophobicContact CB-CG 4.18Å; F1152-M1185 HydrophobicContact CB-SD 3.88Å; F1152-M1185 HydrophobicContact CD2-CG 3.68Å; F1152-M1185 HydrophobicContact CD2-SD 4.33Å; F1152-M1185 HydrophobicContact CE2-CG 4.29Å; F1152-M1185 HydrophobicContact CG-CG 4.03Å; F1152-M1185 HydrophobicContact CG-SD 4.38Å |
| 1153 | P | 95.8 | Very high | 96.9 | Very high | 70 Ų | 70 | 37.8 Ų | 37.8 | 46% | 0.455 | 20% | 0.2 | S | C | . | . | trans | -67.8 | 151.5 | -175 | 29.3 | -35.9 | 0 | 0 | 0 | 111.6 | ||||
| 1154 | P | 97.3 | Very high | 97 | Very high | 6 Ų | 6 | 33.6 Ų | 33.6 | 4% | 0.039 | 18% | 0.181 | C | C | . | . | trans | -54.3 | 145 | -177.3 | -28 | 35.6 | 0 | 0 | 0 | 114.9 | V58 F59 K101 C1156 G1157 R1158 H1160 | V58-P1154 VanDerWaalsContact O-CB 3.32Å; V58-P1154 WeakPolarHBondContact O-CB 3.31Å; F59-P1154 HydrophobicContact CB-CB 4.04Å; F59-P1154 HydrophobicContact CB-CG 3.96Å; F59-P1154 HydrophobicContact CD2-CB 4.19Å; F59-P1154 HydrophobicContact CD2-CG 4.03Å; F59-P1154 HydrophobicContact CG-CG 4.45Å; K101-P1154 PolarHBondContact NZ-O 3.2Å; P1154-C1156 PolarHBondContact O-N 3.05Å; P1154-G1157 PolarHBondContact O-N 2.83Å; P1154-R1158 WeakPolarHBondContact CB-O 3.23Å; P1154-R1158 WeakPolarHBondContact CD-O 3.42Å; P1154-R1158 WeakPolarHBondContact CG-O 3.37Å; P1154-H1160 HydrophobicContact CG-CB 3.94Å | ||
| 1155 | L | 96.6 | Very high | 97 | Very high | 13 Ų | 13 | 35.1 Ų | 35.1 | 7% | 0.068 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -42.3 | -170.3 | -169.8 | 64.3 | 0 | 0 | 0 | 112.8 | L38 M56 V58 L90 F99 K101 G1157 | L38-L1155 HydrophobicContact CD2-CD2 4.09Å; M56-L1155 HydrophobicContact SD-CB 4.48Å; M56-L1155 HydrophobicContact SD-CD1 4.3Å; M56-L1155 HydrophobicContact SD-CD2 3.88Å; M56-L1155 HydrophobicContact SD-CG 4.46Å; V58-L1155 HydrophobicContact CB-CB 4.24Å; V58-L1155 HydrophobicContact CG1-CB 4.1Å; V58-L1155 HydrophobicContact CG1-CD2 4.08Å; L90-L1155 HydrophobicContact CD1-CD1 4.4Å; L90-L1155 HydrophobicContact CD1-CD2 3.68Å; L90-L1155 HydrophobicContact CD1-CG 3.92Å; L90-L1155 HydrophobicContact CD2-CD1 3.73Å; L90-L1155 HydrophobicContact CD2-CG 3.94Å; F99-L1155 HydrophobicContact CB-CD1 4.21Å; F99-L1155 HydrophobicContact CB-CD2 4.05Å; F99-L1155 HydrophobicContact CD2-CD2 4.15Å; F99-L1155 HydrophobicContact CG-CD2 4.38Å; K101-L1155 WeakPolarHBondContact CE-O 3.04Å; K101-L1155 PolarHBondContact NZ-O 2.92Å; L1155-G1157 PolarHBondContact O-N 2.87Å; L1155-G1157 VanDerWaalsContact O-N 3.14Å |
| 1156 | C | 96.3 | Very high | 96.9 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.4 | 18.4 | -177 | -62.8 | 0 | 0 | 0 | 0 | 114.2 | V58 S82 S84 P1154 R1158 | V58-C1156 HydrophobicContact CB-CB 4.39Å; V58-C1156 HydrophobicContact CG2-CB 4.46Å; S82-C1156 PolarHBondContact OG-O 2.9Å; S84-C1156 WeakPolarHBondContact CB-O 3.4Å; S84-C1156 PolarHBondContact OG-O 3.01Å; P1154-C1156 PolarHBondContact O-N 3.05Å; C1156-R1158 PolarHBondContact O-N 2.89Å |
| 1157 | G | 94.6 | Very high | 96.9 | Very high | 4 Ų | 4 | 37.5 Ų | 37.5 | 4% | 0.041 | 20% | 0.196 | C | C | . | . | S | Bend | trans | 66.2 | 17.1 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | S84 R86 P1154 L1155 | S84-G1157 WeakPolarHBondContact CB-O 3.42Å; R86-G1157 WeakPolarHBondContact CD-O 3.5Å; R86-G1157 PolarHBondContact NH1-O 2.81Å; P1154-G1157 PolarHBondContact O-N 2.83Å; L1155-G1157 PolarHBondContact O-N 2.87Å; L1155-G1157 VanDerWaalsContact O-N 3.14Å |
| 1158 | R | 97.5 | Very high | 96.9 | Very high | 10 Ų | 10 | 37.7 Ų | 37.7 | 4% | 0.038 | 20% | 0.195 | C | C | . | . | trans | -76.8 | 140 | 174.5 | -170.8 | 62.5 | 177.7 | 88.9 | -7.5 | 109.5 | F59 D83 P1154 C1156 S1162 F1163 | F59-R1158 WeakPolarHBondContact O-CB 3.3Å; F59-R1158 VanDerWaalsContact O-CG 3.25Å; F59-R1158 WeakPolarHBondContact O-CG 3.48Å; D83-R1158 WeakPolarHBondContact OD2-CD 3.35Å; D83-R1158 IonicContact OD2-CZ 2.82Å; D83-R1158 IonicContact OD2-NE 2.84Å; D83-R1158 PolarHBondContact OD2-NE 2.85Å; D83-R1158 IonicContact OD2-NH2 3.85Å; P1154-R1158 WeakPolarHBondContact CB-O 3.23Å; P1154-R1158 WeakPolarHBondContact CD-O 3.42Å; P1154-R1158 WeakPolarHBondContact CG-O 3.37Å; C1156-R1158 PolarHBondContact O-N 2.89Å; R1158-S1162 PolarHBondContact NH1-OG 2.86Å; R1158-S1162 PolarHBondContact NH2-O 2.87Å; R1158-S1162 PolarHBondContact NH2-OG 3.1Å; R1158-S1162 VanDerWaalsContact NH2-OG 3.11Å; R1158-F1163 HydrophobicContact CG-CB 3.88Å | ||
| 1159 | D | 98 | Very high | 97 | Very high | 85 Ų | 85 | 42.3 Ų | 42.3 | 46% | 0.455 | 23% | 0.225 | S | C | . | . | trans | -75.5 | 125.3 | 167.6 | 175.9 | -95.5 | 0 | 0 | 0 | 109.7 | L1161 S1162 F1163 | D1159-L1161 PolarHBondContact OD1-N 3.5Å; D1159-S1162 PolarHBondContact O-N 2.9Å; D1159-S1162 WeakPolarHBondContact OD1-CB 3.3Å; D1159-S1162 PolarHBondContact OD1-N 2.71Å; D1159-F1163 WeakPolarHBondContact O-CB 3.49Å; D1159-F1163 PolarHBondContact O-N 2.94Å | ||
| 1160 | H | 98.3 | Very high | 97 | Very high | 2 Ų | 2 | 41.1 Ų | 41.1 | 1% | 0.009 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -62.8 | -48.9 | -173.9 | 173.7 | -90.1 | 0 | 0 | 0 | 112.6 | F59 E1145 R1149 P1154 S1162 F1163 R1164 D1175 | F59-H1160 AromaticContact CD1-CD2 3.97Å; F59-H1160 AromaticContact CG-CD2 3.86Å; E1145-H1160 IonicContact OE1-CE1 2.63Å; E1145-H1160 PolarHBondContact OE1-CE1 3.28Å; E1145-H1160 IonicContact OE1-ND1 3.14Å; R1149-H1160 HydrophobicContact CG-CB 4.11Å; R1149-H1160 PolarHBondContact NE-ND1 3.18Å; P1154-H1160 HydrophobicContact CG-CB 3.94Å; H1160-S1162 VanDerWaalsContact C-N 3.31Å; H1160-S1162 PolarHBondContact O-N 3.01Å; H1160-F1163 WeakPolarHBondContact O-CB 3.39Å; H1160-F1163 PolarHBondContact O-N 2.94Å; H1160-F1163 VanDerWaalsContact O-N 3.1Å; H1160-R1164 PolarHBondContact O-N 3.36Å; H1160-D1175 IonicContact CD2-OD2 2.62Å; H1160-D1175 IonicContact CE1-OD2 3.45Å; H1160-D1175 IonicContact NE2-OD2 3.16Å; H1160-D1175 PolarHBondContact NE2-OD2 2.81Å |
| 1161 | L | 98 | Very high | 97.2 | Very high | 77 Ų | 77 | 41.8 Ų | 41.8 | 40% | 0.403 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -63 | -40.9 | -178.4 | 177.5 | 61.5 | 0 | 0 | 0 | 111.1 | D1159 F1163 R1164 S1165 | D1159-L1161 PolarHBondContact OD1-N 3.5Å; L1161-F1163 VanDerWaalsContact C-N 3.33Å; L1161-R1164 PolarHBondContact O-N 2.79Å; L1161-S1165 WeakPolarHBondContact O-CB 3.32Å; L1161-S1165 PolarHBondContact O-N 3.14Å; L1161-S1165 PolarHBondContact O-OG 2.86Å |
| 1162 | S | 97.8 | Very high | 97.3 | Very high | 44 Ų | 44 | 41.3 Ų | 41.3 | 31% | 0.308 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -70.3 | -27.4 | 176.2 | 170.7 | 0 | 0 | 0 | 0 | 112.6 | R1158 D1159 H1160 S1165 Y1166 | R1158-S1162 PolarHBondContact NH1-OG 2.86Å; R1158-S1162 PolarHBondContact NH2-O 2.87Å; R1158-S1162 PolarHBondContact NH2-OG 3.1Å; R1158-S1162 VanDerWaalsContact NH2-OG 3.11Å; D1159-S1162 PolarHBondContact O-N 2.9Å; D1159-S1162 WeakPolarHBondContact OD1-CB 3.3Å; D1159-S1162 PolarHBondContact OD1-N 2.71Å; H1160-S1162 VanDerWaalsContact C-N 3.31Å; H1160-S1162 PolarHBondContact O-N 3.01Å; S1162-S1165 CarbonylContact O-C 3.48Å; S1162-Y1166 PolarHBondContact O-N 2.86Å |
| 1163 | F | 98 | Very high | 97.4 | Very high | 1 Ų | 1 | 39.6 Ų | 39.6 | 0% | 0.004 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -71.2 | -49.5 | 171.2 | 172.2 | -107.4 | 0 | 0 | 0 | 110.9 | F59 I61 H1096 R1158 D1159 H1160 L1161 S1165 Y1166 | F59-F1163 HydrophobicContact CB-CD1 4.13Å; F59-F1163 HydrophobicContact CB-CE1 4.49Å; F59-F1163 WeakPolarHBondContact O-CB 3.29Å; F59-F1163 VanDerWaalsContact O-CG 3.23Å; F59-F1163 WeakPolarHBondContact O-CG 3.42Å; I61-F1163 HydrophobicContact CG1-CE2 4.34Å; H1096-F1163 AromaticContact CD2-CE2 3.91Å; H1096-F1163 PolarHBondContact CD2-O 2.63Å; H1096-F1163 VanDerWaalsContact CD2-O 3.24Å; H1096-F1163 AromaticContact NE2-CE2 3.99Å; R1158-F1163 HydrophobicContact CG-CB 3.88Å; D1159-F1163 WeakPolarHBondContact O-CB 3.49Å; D1159-F1163 PolarHBondContact O-N 2.94Å; H1160-F1163 WeakPolarHBondContact O-CB 3.39Å; H1160-F1163 PolarHBondContact O-N 2.94Å; H1160-F1163 VanDerWaalsContact O-N 3.1Å; L1161-F1163 VanDerWaalsContact C-N 3.33Å; F1163-S1165 PolarHBondContact O-N 3.09Å; F1163-Y1166 HydrophobicContact CD2-CD2 4.31Å; F1163-Y1166 WeakPolarHBondContact O-CB 3.33Å; F1163-Y1166 PolarHBondContact O-N 3.06Å; F1163-Y1166 VanDerWaalsContact O-N 3.13Å |
| 1164 | R | 98.2 | Very high | 97.6 | Very high | 1 Ų | 1 | 36.6 Ų | 36.6 | 0% | 0.004 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -65.3 | -20.7 | 176.3 | -61.8 | -55 | -173.6 | -177.2 | 1.7 | 112.8 | Y1095 H1096 I1097 H1160 L1161 V1170 D1175 | Y1095-R1164 HydrophobicContact CD2-CB 4.39Å; Y1095-R1164 HydrophobicContact CE2-CB 4.03Å; Y1095-R1164 HydrophobicContact CE2-CG 3.88Å; Y1095-R1164 PolarHBondContact OH-NE 2.84Å; Y1095-R1164 VanDerWaalsContact OH-NE 3.08Å; H1096-R1164 WeakPolarHBondContact CB-O 3.15Å; H1096-R1164 PolarHBondContact N-O 3.3Å; H1096-R1164 VanDerWaalsContact N-O 3.12Å; H1096-R1164 VanDerWaalsContact O-CD 3.22Å; H1096-R1164 WeakPolarHBondContact O-CD 3.22Å; H1096-R1164 PolarHBondContact O-NH1 2.89Å; I1097-R1164 PolarHBondContact O-NH1 3.01Å; I1097-R1164 VanDerWaalsContact O-NH1 3.15Å; H1160-R1164 PolarHBondContact O-N 3.36Å; L1161-R1164 PolarHBondContact O-N 2.79Å; R1164-V1170 HydrophobicContact CB-CG2 3.33Å; R1164-V1170 WeakPolarHBondContact O-CG2 3.33Å; R1164-D1175 IonicContact CZ-OD2 3.59Å; R1164-D1175 IonicContact NE-OD2 3.06Å; R1164-D1175 PolarHBondContact NE-OD2 3.4Å; R1164-D1175 IonicContact NH2-OD1 2.78Å; R1164-D1175 IonicContact NH2-OD2 3.51Å; R1164-D1175 PolarHBondContact NH2-OD2 2.9Å |
| 1165 | S | 98.3 | Very high | 97.6 | Very high | 32 Ų | 32 | 36.3 Ų | 36.3 | 22% | 0.224 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.2 | 28.3 | 174.7 | -57.3 | 0 | 0 | 0 | 0 | 113.9 | L1161 S1162 F1163 Y1167 Y1168 V1170 | L1161-S1165 WeakPolarHBondContact O-CB 3.32Å; L1161-S1165 PolarHBondContact O-N 3.14Å; L1161-S1165 PolarHBondContact O-OG 2.86Å; S1162-S1165 CarbonylContact O-C 3.48Å; F1163-S1165 PolarHBondContact O-N 3.09Å; S1165-Y1167 PolarHBondContact O-N 3.37Å; S1165-Y1168 CarbonylContact C-O 3.21Å; S1165-Y1168 VanDerWaalsContact CA-O 3.23Å; S1165-Y1168 WeakPolarHBondContact CA-O 3.36Å; S1165-V1170 WeakPolarHBondContact OG-CG2 3.33Å; S1165-V1170 PolarHBondContact OG-N 3.03Å; S1165-V1170 VanDerWaalsContact OG-N 3.08Å |
| 1166 | Y | 97.3 | Very high | 97.6 | Very high | 48 Ų | 48 | 35.7 Ų | 35.7 | 19% | 0.188 | 19% | 0.185 | C | C | . | . | S | Bend | trans | -55.9 | -47.8 | -166.6 | -156.1 | -80.2 | 0 | 0 | 0 | 114 | I61 D83 G111 C112 S1162 F1163 | I61-Y1166 HydrophobicContact CD1-CE2 4.28Å; D83-Y1166 WeakPolarHBondContact OD2-CE2 3.46Å; G111-Y1166 WeakPolarHBondContact CA-OH 3.39Å; C112-Y1166 PolarHBondContact N-OH 3.12Å; S1162-Y1166 PolarHBondContact O-N 2.86Å; F1163-Y1166 HydrophobicContact CD2-CD2 4.31Å; F1163-Y1166 WeakPolarHBondContact O-CB 3.33Å; F1163-Y1166 PolarHBondContact O-N 3.06Å; F1163-Y1166 VanDerWaalsContact O-N 3.13Å |
| 1167 | Y | 97.1 | Very high | 97.6 | Very high | 108 Ų | 108 | 36.3 Ų | 36.3 | 42% | 0.424 | 19% | 0.188 | S | C | . | . | S | Bend | trans | -110 | -42.9 | -179.3 | -63.5 | -83.1 | 0 | 0 | 0 | 112.2 | F1050 N1052 H1096 S1165 | F1050-Y1167 HydrophobicContact CB-CD2 4.27Å; F1050-Y1167 HydrophobicContact CB-CE1 4.37Å; F1050-Y1167 HydrophobicContact CB-CE2 3.7Å; F1050-Y1167 HydrophobicContact CD1-CE1 4.38Å; F1050-Y1167 HydrophobicContact CG-CE1 4.36Å; F1050-Y1167 HydrophobicContact CG-CE2 4.5Å; N1052-Y1167 VanDerWaalsContact ND2-CD2 3.31Å; N1052-Y1167 WeakPolarHBondContact ND2-CD2 3.37Å; N1052-Y1167 WeakPolarHBondContact OD1-CD2 3.37Å; H1096-Y1167 AromaticContact CE1-CE2 3.86Å; H1096-Y1167 AromaticContact ND1-CD2 4Å; S1165-Y1167 PolarHBondContact O-N 3.37Å |
| 1168 | Y | 97.3 | Very high | 97.8 | Very high | 43 Ų | 43 | 36.1 Ų | 36.1 | 17% | 0.169 | 19% | 0.186 | C | C | . | . | S | Bend | trans | -124.4 | 142.3 | 175.9 | -54.3 | -85 | 0 | 0 | 0 | 108.8 | Y1029 P1030 S1165 V1170 | Y1029-Y1168 HydrophobicContact CD1-CD1 4.41Å; Y1029-Y1168 AromaticContact CD1-CE1 3.99Å; Y1029-Y1168 HydrophobicContact CD1-CE1 3.99Å; Y1029-Y1168 HydrophobicContact CG-CE1 4.28Å; P1030-Y1168 PolarHBondContact O-OH 2.77Å; S1165-Y1168 CarbonylContact C-O 3.21Å; S1165-Y1168 VanDerWaalsContact CA-O 3.23Å; S1165-Y1168 WeakPolarHBondContact CA-O 3.36Å; Y1168-V1170 PolarHBondContact O-N 3.38Å |
| 1169 | P | 98.2 | Very high | 97.7 | Very high | 97 Ų | 97 | 35.6 Ų | 35.6 | 63% | 0.63 | 18% | 0.184 | S | C | * | . | trans | -55.9 | 136.3 | 174.4 | -25.4 | 34.9 | 0 | 0 | 0 | 112 | N1094 K1171 | N1094-P1169 WeakPolarHBondContact CB-O 3.49Å; P1169-K1171 PolarHBondContact O-N 2.81Å | ||
| 1170 | V | 98 | Very high | 97.5 | Very high | 35 Ų | 35 | 32.5 Ų | 32.5 | 21% | 0.212 | 17% | 0.167 | C | C | . | . | trans | -55.2 | 134.3 | 173.6 | 175.3 | 0 | 0 | 0 | 0 | 109.5 | N1094 Y1095 R1164 S1165 Y1168 V1173 | N1094-V1170 WeakPolarHBondContact O-CA 3.48Å; Y1095-V1170 HydrophobicContact CD2-CG1 4.39Å; Y1095-V1170 HydrophobicContact CD2-CG2 4.35Å; R1164-V1170 HydrophobicContact CB-CG2 3.33Å; R1164-V1170 WeakPolarHBondContact O-CG2 3.33Å; S1165-V1170 WeakPolarHBondContact OG-CG2 3.33Å; S1165-V1170 PolarHBondContact OG-N 3.03Å; S1165-V1170 VanDerWaalsContact OG-N 3.08Å; Y1168-V1170 PolarHBondContact O-N 3.38Å; V1170-V1173 HydrophobicContact CG1-CB 4.42Å | ||
| 1171 | K | 98 | Very high | 97.3 | Very high | 93 Ų | 93 | 33.3 Ų | 33.3 | 40% | 0.404 | 17% | 0.171 | S | C | . | . | B | Isolated β-bridge | trans | -136 | 118.2 | 176.1 | -171.3 | 176.6 | 179.2 | 179.5 | 0 | 109.9 | V1091 V1093 N1094 P1169 V1173 | V1091-K1171 PolarHBondContact O-NZ 2.91Å; V1093-K1171 WeakPolarHBondContact CA-O 3.21Å; N1094-K1171 PolarHBondContact O-N 3.29Å; P1169-K1171 PolarHBondContact O-N 2.81Å; K1171-V1173 VanDerWaalsContact C-N 3.29Å; K1171-V1173 PolarHBondContact O-N 2.97Å |
| 1172 | N | 97.6 | Very high | 97.2 | Very high | 57 Ų | 57 | 29.6 Ų | 29.6 | 31% | 0.305 | 15% | 0.152 | S | C | . | . | S | Bend | trans | 57.3 | 32.4 | 173 | -55.9 | -31.6 | 0 | 0 | 0 | 115.3 | M1 F2 L3 V1092 V1093 | M1-N1172 WeakPolarHBondContact O-CB 3.43Å; F2-N1172 WeakPolarHBondContact CA-O 3.46Å; F2-N1172 HydrophobicContact CD1-CB 3.72Å; F2-N1172 HydrophobicContact CE1-CB 4.24Å; F2-N1172 WeakPolarHBondContact CE1-OD1 3.33Å; L3-N1172 PolarHBondContact N-O 3.29Å; V1092-N1172 PolarHBondContact O-ND2 2.92Å; V1093-N1172 HydrophobicContact CG2-CB 4.35Å |
| 1173 | V | 98.4 | Very high | 96.8 | Very high | 5 Ų | 5 | 30.1 Ų | 30.1 | 3% | 0.03 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 133.2 | 172.7 | -171.4 | 0 | 0 | 0 | 0 | 109.6 | L3 N5 V1093 Y1095 L1129 V1170 K1171 | L3-V1173 HydrophobicContact CB-CG1 4.5Å; L3-V1173 HydrophobicContact CB-CG2 4.25Å; L3-V1173 VanDerWaalsContact O-CA 3.31Å; L3-V1173 WeakPolarHBondContact O-CA 3.2Å; N5-V1173 HydrophobicContact CB-CG1 4.29Å; V1093-V1173 HydrophobicContact CG1-CG2 3.39Å; Y1095-V1173 HydrophobicContact CD1-CG1 4.16Å; Y1095-V1173 HydrophobicContact CD2-CB 3.73Å; Y1095-V1173 HydrophobicContact CD2-CG1 3.62Å; Y1095-V1173 HydrophobicContact CD2-CG2 4.35Å; Y1095-V1173 HydrophobicContact CE1-CG1 4.33Å; Y1095-V1173 HydrophobicContact CE2-CB 4.29Å; Y1095-V1173 HydrophobicContact CE2-CG1 3.82Å; Y1095-V1173 HydrophobicContact CG-CB 4.07Å; Y1095-V1173 HydrophobicContact CG-CG1 3.8Å; Y1095-V1173 HydrophobicContact CG-CG2 4.26Å; L1129-V1173 HydrophobicContact CD2-CG1 4.16Å; V1170-V1173 HydrophobicContact CG1-CB 4.42Å; K1171-V1173 VanDerWaalsContact C-N 3.29Å; K1171-V1173 PolarHBondContact O-N 2.97Å |
| 1174 | I | 98.4 | Very high | 96.3 | Very high | 7 Ų | 7 | 33.5 Ų | 33.5 | 4% | 0.036 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 134.3 | 171.8 | -55.4 | -55.8 | 0 | 0 | 0 | 108.5 | L3 Y4 N5 F1132 F1141 Q1142 E1145 G1176 | L3-I1174 PolarHBondContact O-N 3.45Å; Y4-I1174 HydrophobicContact CD2-CB 3.96Å; Y4-I1174 HydrophobicContact CD2-CG2 3.96Å; Y4-I1174 HydrophobicContact CE2-CG2 4.05Å; N5-I1174 PolarHBondContact N-O 3.2Å; F1132-I1174 HydrophobicContact CE2-CB 4.41Å; F1132-I1174 HydrophobicContact CE2-CG1 3.97Å; F1132-I1174 HydrophobicContact CZ-CB 4.38Å; F1132-I1174 HydrophobicContact CZ-CG1 4.16Å; F1141-I1174 HydrophobicContact CB-CG2 4.2Å; Q1142-I1174 HydrophobicContact CB-CD1 3.87Å; Q1142-I1174 HydrophobicContact CG-CD1 4.06Å; E1145-I1174 HydrophobicContact CB-CG2 3.96Å; E1145-I1174 HydrophobicContact CG-CG2 4.26Å; E1145-I1174 WeakPolarHBondContact OE2-CD1 3.18Å; I1174-G1176 PolarHBondContact O-N 2.95Å |
| 1175 | D | 98.4 | Very high | 95.9 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 103.1 | 177.5 | -167.3 | 3.7 | 0 | 0 | 0 | 111.9 | N5 F59 Y1095 E1145 H1160 R1164 D1177 L1178 C1179 | N5-D1175 PolarHBondContact ND2-OD1 3.31Å; F59-D1175 WeakPolarHBondContact CE1-OD2 3.29Å; Y1095-D1175 WeakPolarHBondContact OH-CB 3.48Å; Y1095-D1175 PolarHBondContact OH-OD1 3.06Å; Y1095-D1175 VanDerWaalsContact OH-OD1 3.11Å; Y1095-D1175 PolarHBondContact OH-OD2 3.07Å; E1145-D1175 PolarHBondContact OE1-N 2.88Å; H1160-D1175 IonicContact CD2-OD2 2.62Å; H1160-D1175 IonicContact CE1-OD2 3.45Å; H1160-D1175 IonicContact NE2-OD2 3.16Å; H1160-D1175 PolarHBondContact NE2-OD2 2.81Å; R1164-D1175 IonicContact CZ-OD2 3.59Å; R1164-D1175 IonicContact NE-OD2 3.06Å; R1164-D1175 PolarHBondContact NE-OD2 3.4Å; R1164-D1175 IonicContact NH2-OD1 2.78Å; R1164-D1175 IonicContact NH2-OD2 3.51Å; R1164-D1175 PolarHBondContact NH2-OD2 2.9Å; D1175-D1177 VanDerWaalsContact C-N 3.33Å; D1175-D1177 PolarHBondContact OD1-N 3.47Å; D1175-D1177 VanDerWaalsContact OD1-N 3.13Å; D1175-L1178 HydrophobicContact CB-CB 4.35Å; D1175-L1178 PolarHBondContact O-N 3.21Å; D1175-C1179 PolarHBondContact O-N 2.8Å; D1175-C1179 PolarHBondContact O-SG 2.56Å |
| 1176 | G | 97 | Very high | 95.5 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -73.3 | -23.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | Y4 N5 I1174 L1178 C1179 E1180 | Y4-G1176 VanDerWaalsContact CE2-CA 3.45Å; Y4-G1176 WeakPolarHBondContact OH-CA 3.21Å; N5-G1176 WeakPolarHBondContact O-CA 3.45Å; N5-G1176 PolarHBondContact O-N 2.86Å; I1174-G1176 PolarHBondContact O-N 2.95Å; G1176-L1178 VanDerWaalsContact C-N 3.28Å; G1176-L1178 PolarHBondContact O-N 2.97Å; G1176-C1179 PolarHBondContact O-N 3.23Å; G1176-E1180 PolarHBondContact O-N 3.07Å |
| 1177 | D | 96.3 | Very high | 95.1 | Very high | 13 Ų | 13 | 38.4 Ų | 38.4 | 7% | 0.07 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -67.1 | -34.7 | 176.5 | -64.3 | -34.2 | 0 | 0 | 0 | 110.5 | N5 T7 E57 F59 D1175 | N5-D1177 PolarHBondContact ND2-OD2 3.21Å; N5-D1177 VanDerWaalsContact ND2-OD2 3.09Å; T7-D1177 WeakPolarHBondContact CB-OD1 3.27Å; T7-D1177 PolarHBondContact N-OD1 3.21Å; T7-D1177 PolarHBondContact OG1-OD1 3.43Å; T7-D1177 PolarHBondContact OG1-OD2 3.01Å; E57-D1177 WeakPolarHBondContact OE2-CB 3.34Å; F59-D1177 HydrophobicContact CE1-CB 4.21Å; F59-D1177 HydrophobicContact CZ-CB 4.49Å; D1175-D1177 VanDerWaalsContact C-N 3.33Å; D1175-D1177 PolarHBondContact OD1-N 3.47Å; D1175-D1177 VanDerWaalsContact OD1-N 3.13Å |
| 1178 | L | 97.2 | Very high | 94.9 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -70.7 | -43.3 | 169.9 | 179.2 | 66.2 | 0 | 0 | 0 | 111.7 | F59 E1145 M1148 R1149 D1175 G1176 E1180 Q1181 | F59-L1178 HydrophobicContact CD2-CD1 4.26Å; F59-L1178 HydrophobicContact CE1-CB 4.28Å; F59-L1178 HydrophobicContact CE2-CB 4.14Å; F59-L1178 HydrophobicContact CE2-CD1 3.57Å; F59-L1178 HydrophobicContact CE2-CG 4.45Å; F59-L1178 HydrophobicContact CZ-CB 3.74Å; F59-L1178 HydrophobicContact CZ-CD1 4.07Å; E1145-L1178 HydrophobicContact CG-CD2 4.07Å; M1148-L1178 HydrophobicContact CB-CD1 4.33Å; M1148-L1178 HydrophobicContact CB-CD2 4.16Å; M1148-L1178 HydrophobicContact CB-CG 3.95Å; R1149-L1178 HydrophobicContact CG-CD2 3.67Å; D1175-L1178 HydrophobicContact CB-CB 4.35Å; D1175-L1178 PolarHBondContact O-N 3.21Å; G1176-L1178 VanDerWaalsContact C-N 3.28Å; G1176-L1178 PolarHBondContact O-N 2.97Å; L1178-E1180 VanDerWaalsContact C-N 3.29Å; L1178-E1180 PolarHBondContact O-N 2.95Å; L1178-Q1181 WeakPolarHBondContact O-CB 3.33Å; L1178-Q1181 PolarHBondContact O-N 3.03Å; L1178-Q1181 VanDerWaalsContact O-N 3.13Å |
| 1179 | C | 96.9 | Very high | 94.7 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -62.1 | -36.8 | -179.2 | -63.3 | 0 | 0 | 0 | 0 | 111.9 | L1144 D1175 G1176 Q1181 F1182 L1208 | L1144-C1179 HydrophobicContact CD2-CB 4.06Å; L1144-C1179 HydrophobicContact CG-CB 4.47Å; D1175-C1179 PolarHBondContact O-N 2.8Å; D1175-C1179 PolarHBondContact O-SG 2.56Å; G1176-C1179 PolarHBondContact O-N 3.23Å; C1179-Q1181 PolarHBondContact O-N 2.89Å; C1179-F1182 WeakPolarHBondContact O-CB 3.23Å; C1179-F1182 PolarHBondContact O-N 2.86Å; C1179-F1182 VanDerWaalsContact O-N 3.1Å; C1179-L1208 HydrophobicContact CB-CD2 3.79Å |
| 1180 | E | 93.9 | Very high | 94.5 | Very high | 20 Ų | 20 | 38.8 Ų | 38.8 | 9% | 0.093 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -67.8 | -19.5 | 177.2 | -78.6 | -171.9 | -147.9 | 0 | 0 | 114.4 | R728 G1176 L1178 F1182 N1183 R1212 | R728-E1180 IonicContact CZ-OE2 3.23Å; R728-E1180 IonicContact NH1-OE2 3.5Å; R728-E1180 PolarHBondContact NH1-OE2 2.61Å; R728-E1180 IonicContact NH2-OE2 3.35Å; R728-E1180 PolarHBondContact NH2-OE2 3.13Å; G1176-E1180 PolarHBondContact O-N 3.07Å; L1178-E1180 VanDerWaalsContact C-N 3.29Å; L1178-E1180 PolarHBondContact O-N 2.95Å; E1180-F1182 PolarHBondContact O-N 2.83Å; E1180-N1183 PolarHBondContact O-N 3.2Å; E1180-R1212 VanDerWaalsContact CD-NE 3.28Å; E1180-R1212 IonicContact OE1-CZ 3.16Å; E1180-R1212 IonicContact OE1-NE 3.73Å; E1180-R1212 PolarHBondContact OE1-NE 3.35Å; E1180-R1212 IonicContact OE1-NH2 2.76Å; E1180-R1212 PolarHBondContact OE1-NH2 2.76Å; E1180-R1212 IonicContact OE2-CZ 3.37Å; E1180-R1212 IonicContact OE2-NE 3.04Å; E1180-R1212 PolarHBondContact OE2-NE 3.38Å; E1180-R1212 VanDerWaalsContact OE2-NE 3.12Å; E1180-R1212 IonicContact OE2-NH2 3.14Å; E1180-R1212 PolarHBondContact OE2-NH2 3.1Å |
| 1181 | Q | 93.9 | Very high | 94.3 | Very high | 18 Ų | 18 | 42.6 Ų | 42.6 | 8% | 0.084 | 22% | 0.218 | C | C | . | . | G | 310 helix | trans | -68.5 | -8.2 | 172.1 | -63 | -177.2 | -5.7 | 0 | 0 | 112.7 | E57 F59 M1148 F1152 L1178 C1179 N1183 S1184 M1185 | E57-Q1181 PolarHBondContact O-NE2 3.41Å; F59-Q1181 VanDerWaalsContact CE2-NE2 3.26Å; M1148-Q1181 HydrophobicContact CE-CB 3.95Å; F1152-Q1181 HydrophobicContact CD1-CB 4.05Å; F1152-Q1181 VanDerWaalsContact CD1-OE1 3.23Å; F1152-Q1181 HydrophobicContact CE1-CB 4.07Å; F1152-Q1181 HydrophobicContact CE1-CG 4.49Å; F1152-Q1181 VanDerWaalsContact CE1-OE1 3.25Å; L1178-Q1181 WeakPolarHBondContact O-CB 3.33Å; L1178-Q1181 PolarHBondContact O-N 3.03Å; L1178-Q1181 VanDerWaalsContact O-N 3.13Å; C1179-Q1181 PolarHBondContact O-N 2.89Å; Q1181-N1183 PolarHBondContact O-N 2.96Å; Q1181-S1184 WeakPolarHBondContact O-CA 3.47Å; Q1181-S1184 WeakPolarHBondContact O-CB 3.42Å; Q1181-S1184 PolarHBondContact O-N 3.26Å; Q1181-M1185 PolarHBondContact O-N 3Å |
| 1182 | F | 95.1 | Very high | 94.2 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 21% | 0.213 | C | C | . | . | G | 310 helix | trans | -51.6 | -43.1 | 172.1 | 175.3 | -93.6 | 0 | 0 | 0 | 111.6 | L1144 M1148 C1179 E1180 S1184 M1185 Q1190 V1193 P1201 V1204 L1208 | L1144-F1182 HydrophobicContact CD1-CD2 4.05Å; M1148-F1182 HydrophobicContact CE-CB 4.37Å; M1148-F1182 HydrophobicContact SD-CB 4.01Å; M1148-F1182 HydrophobicContact SD-CD2 4.17Å; C1179-F1182 WeakPolarHBondContact O-CB 3.23Å; C1179-F1182 PolarHBondContact O-N 2.86Å; C1179-F1182 VanDerWaalsContact O-N 3.1Å; E1180-F1182 PolarHBondContact O-N 2.83Å; F1182-S1184 PolarHBondContact O-N 3.4Å; F1182-M1185 HydrophobicContact CB-CE 4.49Å; F1182-M1185 HydrophobicContact CD2-CE 3.41Å; F1182-M1185 VanDerWaalsContact CD2-CE 3.41Å; F1182-M1185 HydrophobicContact CE2-CE 3.88Å; F1182-M1185 HydrophobicContact CG-CE 4.18Å; F1182-M1185 WeakPolarHBondContact O-CB 3.36Å; F1182-M1185 PolarHBondContact O-N 2.85Å; F1182-Q1190 HydrophobicContact CE1-CB 4.26Å; F1182-Q1190 HydrophobicContact CE1-CG 4.25Å; F1182-Q1190 HydrophobicContact CE2-CB 4.15Å; F1182-Q1190 HydrophobicContact CE2-CG 4.38Å; F1182-Q1190 HydrophobicContact CZ-CB 3.75Å; F1182-Q1190 HydrophobicContact CZ-CG 4.11Å; F1182-Q1190 WeakPolarHBondContact O-CG 3.33Å; F1182-Q1190 PolarHBondContact O-NE2 3.03Å; F1182-V1193 HydrophobicContact CD2-CG1 4.31Å; F1182-V1193 HydrophobicContact CE2-CB 4.06Å; F1182-V1193 HydrophobicContact CE2-CG1 4Å; F1182-P1201 HydrophobicContact CE1-CB 4.24Å; F1182-P1201 HydrophobicContact CZ-CB 4.15Å; F1182-V1204 HydrophobicContact CD1-CB 4.48Å; F1182-V1204 HydrophobicContact CD1-CG1 3.94Å; F1182-V1204 HydrophobicContact CD2-CG1 4.3Å; F1182-V1204 HydrophobicContact CE1-CB 3.92Å; F1182-V1204 HydrophobicContact CE1-CG1 3.82Å; F1182-V1204 HydrophobicContact CE2-CG1 4.19Å; F1182-V1204 HydrophobicContact CG-CG1 4.18Å; F1182-V1204 HydrophobicContact CZ-CB 4.03Å; F1182-V1204 HydrophobicContact CZ-CG1 3.96Å; F1182-V1204 HydrophobicContact CZ-CG2 4.42Å; F1182-L1208 HydrophobicContact CB-CD1 4.16Å; F1182-L1208 HydrophobicContact CD1-CD1 4.48Å |
| 1183 | N | 89.8 | Confident | 94.1 | Very high | 55 Ų | 55 | 37.6 Ų | 37.6 | 29% | 0.294 | 20% | 0.199 | S | C | . | . | G | 310 helix | trans | -68.5 | -16.8 | 179.8 | -64.1 | -34.2 | 0 | 0 | 0 | 113.3 | E1180 Q1181 Q1190 S1205 | E1180-N1183 PolarHBondContact O-N 3.2Å; Q1181-N1183 PolarHBondContact O-N 2.96Å; N1183-Q1190 PolarHBondContact O-NE2 3.14Å; N1183-S1205 WeakPolarHBondContact OD1-CB 3.19Å; N1183-S1205 PolarHBondContact OD1-OG 2.83Å |
| 1184 | S | 88 | Confident | 94 | Very high | 72 Ų | 72 | 37.3 Ų | 37.3 | 50% | 0.503 | 20% | 0.197 | S | C | . | . | G | 310 helix | trans | -92.7 | -7.2 | 178.1 | -54.6 | 0 | 0 | 0 | 0 | 113.3 | Q1181 F1182 | Q1181-S1184 WeakPolarHBondContact O-CA 3.47Å; Q1181-S1184 WeakPolarHBondContact O-CB 3.42Å; Q1181-S1184 PolarHBondContact O-N 3.26Å; F1182-S1184 PolarHBondContact O-N 3.4Å |
| 1185 | M | 89.4 | Confident | 93.8 | Very high | 8 Ų | 8 | 42.5 Ų | 42.5 | 4% | 0.039 | 22% | 0.221 | C | C | . | . | S | Bend | trans | -75 | 158.6 | 177.4 | -63.8 | -163.3 | -64 | 0 | 0 | 112.4 | M1148 E1151 F1152 Q1181 F1182 K1189 Q1190 V1193 | M1148-M1185 HydrophobicContact CE-CE 4.26Å; M1148-M1185 HydrophobicContact CE-CG 4.13Å; M1148-M1185 HydrophobicContact CE-SD 3.85Å; M1148-M1185 HydrophobicContact SD-CE 3.49Å; M1148-M1185 WeakPolarHBondContact SD-CE 3.18Å; M1148-M1185 HydrophobicContact SD-SD 3.65Å; M1148-M1185 VanDerWaalsContact SD-SD 3.65Å; E1151-M1185 HydrophobicContact CB-SD 4.42Å; F1152-M1185 HydrophobicContact CB-CG 4.18Å; F1152-M1185 HydrophobicContact CB-SD 3.88Å; F1152-M1185 HydrophobicContact CD2-CG 3.68Å; F1152-M1185 HydrophobicContact CD2-SD 4.33Å; F1152-M1185 HydrophobicContact CE2-CG 4.29Å; F1152-M1185 HydrophobicContact CG-CG 4.03Å; F1152-M1185 HydrophobicContact CG-SD 4.38Å; Q1181-M1185 PolarHBondContact O-N 3Å; F1182-M1185 HydrophobicContact CB-CE 4.49Å; F1182-M1185 HydrophobicContact CD2-CE 3.41Å; F1182-M1185 VanDerWaalsContact CD2-CE 3.41Å; F1182-M1185 HydrophobicContact CE2-CE 3.88Å; F1182-M1185 HydrophobicContact CG-CE 4.18Å; F1182-M1185 WeakPolarHBondContact O-CB 3.36Å; F1182-M1185 PolarHBondContact O-N 2.85Å; M1185-K1189 HydrophobicContact CB-CB 4.35Å; M1185-K1189 HydrophobicContact CE-CB 4.46Å; M1185-K1189 HydrophobicContact SD-CB 4.25Å; M1185-Q1190 HydrophobicContact CB-CG 3.99Å; M1185-Q1190 HydrophobicContact CE-CG 4.32Å; M1185-Q1190 PolarHBondContact O-NE2 2.96Å; M1185-V1193 HydrophobicContact CE-CG2 4.29Å |
| 1186 | D | 89.4 | Confident | 93.7 | Very high | 79 Ų | 79 | 47.8 Ų | 47.8 | 42% | 0.422 | 25% | 0.246 | S | C | . | . | trans | -58 | 141.7 | 169.4 | -68.5 | -49 | 0 | 0 | 0 | 111.1 | H1188 K1189 Q1190 | D1186-H1188 PolarHBondContact O-N 2.74Å; D1186-K1189 PolarHBondContact O-N 2.88Å; D1186-Q1190 PolarHBondContact O-N 2.9Å; D1186-Q1190 VanDerWaalsContact O-N 3.12Å | ||
| 1187 | P | 89.6 | Confident | 93.5 | Very high | 96 Ų | 96 | 48.8 Ų | 48.8 | 62% | 0.623 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -55.7 | -30.9 | -176 | -29.2 | 35.2 | 0 | 0 | 0 | 115 | Q1190 K1191 | P1187-Q1190 PolarHBondContact O-N 2.78Å; P1187-K1191 WeakPolarHBondContact O-CB 3.29Å; P1187-K1191 PolarHBondContact O-N 2.82Å |
| 1188 | H | 92.4 | Very high | 93.5 | Very high | 154 Ų | 154 | 54.8 Ų | 54.8 | 71% | 0.713 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -63.5 | -42.6 | 175.7 | -179.8 | -79 | 0 | 0 | 0 | 112 | D1186 K1191 S1192 | D1186-H1188 PolarHBondContact O-N 2.74Å; H1188-K1191 PolarHBondContact O-N 3.08Å; H1188-S1192 PolarHBondContact O-N 3.21Å |
| 1189 | K | 93.5 | Very high | 93.4 | Very high | 71 Ų | 71 | 60.6 Ų | 60.6 | 31% | 0.309 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -70.5 | -40.8 | 177.3 | -73.8 | -172.7 | 166.6 | -172.2 | 0 | 111.5 | E1151 M1185 D1186 K1191 S1192 V1193 | E1151-K1189 PolarHBondContact O-NZ 3.15Å; E1151-K1189 IonicContact OE2-NZ 3.84Å; M1185-K1189 HydrophobicContact CB-CB 4.35Å; M1185-K1189 HydrophobicContact CE-CB 4.46Å; M1185-K1189 HydrophobicContact SD-CB 4.25Å; D1186-K1189 PolarHBondContact O-N 2.88Å; K1189-K1191 VanDerWaalsContact C-N 3.27Å; K1189-K1191 PolarHBondContact O-N 3.36Å; K1189-S1192 PolarHBondContact O-N 2.86Å; K1189-V1193 WeakPolarHBondContact O-CG2 3.4Å; K1189-V1193 PolarHBondContact O-N 3.39Å |
| 1190 | Q | 92.7 | Very high | 93.1 | Very high | 32 Ų | 32 | 63.8 Ų | 63.8 | 15% | 0.15 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -55.9 | -45.5 | 173.5 | -66 | -177 | 3.9 | 0 | 0 | 111.2 | F1182 N1183 M1185 D1186 P1187 A1194 P1201 | F1182-Q1190 HydrophobicContact CE1-CB 4.26Å; F1182-Q1190 HydrophobicContact CE1-CG 4.25Å; F1182-Q1190 HydrophobicContact CE2-CB 4.15Å; F1182-Q1190 HydrophobicContact CE2-CG 4.38Å; F1182-Q1190 HydrophobicContact CZ-CB 3.75Å; F1182-Q1190 HydrophobicContact CZ-CG 4.11Å; F1182-Q1190 WeakPolarHBondContact O-CG 3.33Å; F1182-Q1190 PolarHBondContact O-NE2 3.03Å; N1183-Q1190 PolarHBondContact O-NE2 3.14Å; M1185-Q1190 HydrophobicContact CB-CG 3.99Å; M1185-Q1190 HydrophobicContact CE-CG 4.32Å; M1185-Q1190 PolarHBondContact O-NE2 2.96Å; D1186-Q1190 PolarHBondContact O-N 2.9Å; D1186-Q1190 VanDerWaalsContact O-N 3.12Å; P1187-Q1190 PolarHBondContact O-N 2.78Å; Q1190-A1194 WeakPolarHBondContact O-CB 3.37Å; Q1190-A1194 PolarHBondContact O-N 3.41Å; Q1190-P1201 HydrophobicContact CB-CB 4.2Å; Q1190-P1201 HydrophobicContact CB-CG 4.24Å |
| 1191 | K | 94.1 | Very high | 92.8 | Very high | 115 Ų | 115 | 64.2 Ų | 64.2 | 50% | 0.5 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -61.8 | -47.2 | 176.6 | -176.7 | 176.3 | 173.2 | 179.4 | 0 | 112 | P1187 H1188 K1189 V1193 A1194 E1195 | P1187-K1191 WeakPolarHBondContact O-CB 3.29Å; P1187-K1191 PolarHBondContact O-N 2.82Å; H1188-K1191 PolarHBondContact O-N 3.08Å; K1189-K1191 VanDerWaalsContact C-N 3.27Å; K1189-K1191 PolarHBondContact O-N 3.36Å; K1191-V1193 PolarHBondContact O-N 2.68Å; K1191-A1194 PolarHBondContact O-N 2.76Å; K1191-E1195 WeakPolarHBondContact CE-OE1 3.35Å; K1191-E1195 HydrophobicContact CG-CG 4.37Å; K1191-E1195 IonicContact NZ-OE1 3.74Å; K1191-E1195 WeakPolarHBondContact O-CB 3.27Å; K1191-E1195 WeakPolarHBondContact O-CG 3.2Å; K1191-E1195 PolarHBondContact O-N 2.9Å |
| 1192 | S | 96.3 | Very high | 92.4 | Very high | 44 Ų | 44 | 66.9 Ų | 66.9 | 31% | 0.308 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -57.8 | -49.9 | 178.5 | -166.7 | 0 | 0 | 0 | 0 | 112.1 | H1188 K1189 E1195 E1196 | H1188-S1192 PolarHBondContact O-N 3.21Å; K1189-S1192 PolarHBondContact O-N 2.86Å; S1192-E1195 PolarHBondContact O-N 2.8Å; S1192-E1196 WeakPolarHBondContact O-CG 3.14Å; S1192-E1196 PolarHBondContact O-N 3.11Å; S1192-E1196 VanDerWaalsContact O-N 3.07Å |
| 1193 | V | 96.2 | Very high | 92.1 | Very high | 0 Ų | 0 | 71.5 Ų | 71.5 | 0% | 0 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -67 | -38.4 | 179.8 | 173.1 | 0 | 0 | 0 | 0 | 111.2 | L1144 H1147 E1151 F1182 M1185 K1189 K1191 E1196 L1197 | L1144-V1193 HydrophobicContact CD1-CG1 3.98Å; H1147-V1193 HydrophobicContact CB-CG1 3.9Å; H1147-V1193 HydrophobicContact CB-CG2 4.17Å; E1151-V1193 HydrophobicContact CG-CG2 4.11Å; F1182-V1193 HydrophobicContact CD2-CG1 4.31Å; F1182-V1193 HydrophobicContact CE2-CB 4.06Å; F1182-V1193 HydrophobicContact CE2-CG1 4Å; M1185-V1193 HydrophobicContact CE-CG2 4.29Å; K1189-V1193 WeakPolarHBondContact O-CG2 3.4Å; K1189-V1193 PolarHBondContact O-N 3.39Å; K1191-V1193 PolarHBondContact O-N 2.68Å; V1193-E1196 PolarHBondContact O-N 2.9Å; V1193-L1197 HydrophobicContact CG1-CD1 4.19Å; V1193-L1197 WeakPolarHBondContact O-CG 3.4Å; V1193-L1197 PolarHBondContact O-N 3.28Å |
| 1194 | A | 94.8 | Very high | 92.2 | Very high | 0 Ų | 0 | 68.9 Ų | 68.9 | 0% | 0 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -65.7 | -42.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q1190 K1191 E1196 L1197 D1198 R1199 P1201 V1204 | Q1190-A1194 WeakPolarHBondContact O-CB 3.37Å; Q1190-A1194 PolarHBondContact O-N 3.41Å; K1191-A1194 PolarHBondContact O-N 2.76Å; A1194-E1196 VanDerWaalsContact C-N 3.34Å; A1194-E1196 PolarHBondContact O-N 2.98Å; A1194-L1197 CarbonylContact O-C 3.56Å; A1194-L1197 WeakPolarHBondContact O-CA 3.15Å; A1194-L1197 PolarHBondContact O-N 2.84Å; A1194-L1197 VanDerWaalsContact O-N 3.09Å; A1194-D1198 PolarHBondContact O-N 2.76Å; A1194-R1199 CarbonylContact C-O 3.55Å; A1194-R1199 WeakPolarHBondContact CB-O 3.49Å; A1194-R1199 CarbonylContact O-C 3.52Å; A1194-R1199 PolarHBondContact O-N 3.38Å; A1194-P1201 HydrophobicContact CB-CG 3.95Å; A1194-V1204 HydrophobicContact CB-CG2 4.14Å |
| 1195 | E | 95.5 | Very high | 92.3 | Very high | 115 Ų | 115 | 66.2 Ų | 66.2 | 54% | 0.537 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -62.7 | -38.9 | 175.9 | -75.2 | 177.6 | 174.1 | 0 | 0 | 111.9 | K1191 S1192 L1197 D1198 | K1191-E1195 WeakPolarHBondContact CE-OE1 3.35Å; K1191-E1195 HydrophobicContact CG-CG 4.37Å; K1191-E1195 IonicContact NZ-OE1 3.74Å; K1191-E1195 WeakPolarHBondContact O-CB 3.27Å; K1191-E1195 WeakPolarHBondContact O-CG 3.2Å; K1191-E1195 PolarHBondContact O-N 2.9Å; S1192-E1195 PolarHBondContact O-N 2.8Å; E1195-L1197 PolarHBondContact O-N 3.1Å; E1195-D1198 PolarHBondContact O-N 2.91Å |
| 1196 | E | 95 | Very high | 92.1 | Very high | 112 Ų | 112 | 68.5 Ų | 68.5 | 52% | 0.523 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -65 | -24.7 | 173.7 | -73.7 | 179.3 | 168.6 | 0 | 0 | 113.3 | H1147 S1192 V1193 A1194 | H1147-E1196 IonicContact CE1-OE2 3.3Å; H1147-E1196 PolarHBondContact CE1-OE2 3.09Å; H1147-E1196 IonicContact CG-OE2 2.69Å; H1147-E1196 IonicContact ND1-OE2 3.06Å; H1147-E1196 PolarHBondContact ND1-OE2 2.57Å; H1147-E1196 IonicContact NE2-OE2 3.74Å; S1192-E1196 WeakPolarHBondContact O-CG 3.14Å; S1192-E1196 PolarHBondContact O-N 3.11Å; S1192-E1196 VanDerWaalsContact O-N 3.07Å; V1193-E1196 PolarHBondContact O-N 2.9Å; A1194-E1196 VanDerWaalsContact C-N 3.34Å; A1194-E1196 PolarHBondContact O-N 2.98Å |
| 1197 | L | 94.6 | Very high | 92.2 | Very high | 20 Ų | 20 | 67.1 Ų | 67.1 | 11% | 0.105 | 34% | 0.337 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.3 | 7.6 | 174.2 | -63.7 | 173.8 | 0 | 0 | 0 | 113 | F1140 H1143 L1144 V1193 A1194 E1195 R1199 | F1140-L1197 HydrophobicContact CE2-CB 4.34Å; F1140-L1197 HydrophobicContact CE2-CD1 4.01Å; F1140-L1197 HydrophobicContact CZ-CD1 4.31Å; H1143-L1197 HydrophobicContact CB-CD2 3.7Å; L1144-L1197 HydrophobicContact CB-CD1 4.25Å; L1144-L1197 HydrophobicContact CD1-CD1 4.02Å; V1193-L1197 HydrophobicContact CG1-CD1 4.19Å; V1193-L1197 WeakPolarHBondContact O-CG 3.4Å; V1193-L1197 PolarHBondContact O-N 3.28Å; A1194-L1197 CarbonylContact O-C 3.56Å; A1194-L1197 WeakPolarHBondContact O-CA 3.15Å; A1194-L1197 PolarHBondContact O-N 2.84Å; A1194-L1197 VanDerWaalsContact O-N 3.09Å; E1195-L1197 PolarHBondContact O-N 3.1Å; L1197-R1199 VanDerWaalsContact C-N 3.27Å; L1197-R1199 WeakPolarHBondContact O-CG 3.16Å; L1197-R1199 PolarHBondContact O-N 2.75Å |
| 1198 | D | 95.3 | Very high | 92.2 | Very high | 139 Ų | 139 | 62.7 Ų | 62.7 | 74% | 0.743 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54 | 39.1 | -173.6 | -63.7 | -48.1 | 0 | 0 | 0 | 113.2 | A1194 E1195 | A1194-D1198 PolarHBondContact O-N 2.76Å; E1195-D1198 PolarHBondContact O-N 2.91Å |
| 1199 | R | 94.3 | Very high | 91.9 | Very high | 123 Ų | 123 | 57.2 Ų | 57.2 | 46% | 0.464 | 28% | 0.283 | S | S | . | . | S | Bend | trans | -136.1 | 172.6 | -178.2 | -67.9 | -61.8 | -179.8 | -77.7 | -3.9 | 111.7 | F1140 A1194 L1197 E1203 V1204 | F1140-R1199 HydrophobicContact CE2-CG 4.49Å; A1194-R1199 CarbonylContact C-O 3.55Å; A1194-R1199 WeakPolarHBondContact CB-O 3.49Å; A1194-R1199 CarbonylContact O-C 3.52Å; A1194-R1199 PolarHBondContact O-N 3.38Å; L1197-R1199 VanDerWaalsContact C-N 3.27Å; L1197-R1199 WeakPolarHBondContact O-CG 3.16Å; L1197-R1199 PolarHBondContact O-N 2.75Å; R1199-E1203 WeakPolarHBondContact CA-OE2 3.38Å; R1199-E1203 HydrophobicContact CB-CB 4.38Å; R1199-E1203 WeakPolarHBondContact CD-OE2 3.47Å; R1199-V1204 HydrophobicContact CB-CG2 4.02Å |
| 1200 | T | 91 | Very high | 91.7 | Very high | 66 Ų | 66 | 57.7 Ų | 57.7 | 41% | 0.405 | 29% | 0.289 | S | S | . | . | trans | -99.4 | 154.3 | 168.7 | 62.4 | 0 | 0 | 0 | 0 | 110.8 | P1202 E1203 V1204 | T1200-P1202 VanDerWaalsContact C-CD 3.48Å; T1200-P1202 VanDerWaalsContact C-N 3.34Å; T1200-E1203 PolarHBondContact N-OE2 2.61Å; T1200-E1203 WeakPolarHBondContact O-CB 3.02Å; T1200-E1203 PolarHBondContact O-N 3.23Å; T1200-E1203 VanDerWaalsContact OG1-CD 3.22Å; T1200-E1203 VanDerWaalsContact OG1-CG 3.26Å; T1200-E1203 WeakPolarHBondContact OG1-CG 3.38Å; T1200-E1203 PolarHBondContact OG1-OE2 3.43Å; T1200-E1203 VanDerWaalsContact OG1-OE2 3.06Å; T1200-V1204 PolarHBondContact O-N 3.13Å; T1200-V1204 VanDerWaalsContact O-N 3.13Å | ||
| 1201 | P | 89.1 | Confident | 91.5 | Very high | 30 Ų | 30 | 57.2 Ų | 57.2 | 20% | 0.195 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -52.5 | -42.8 | 178.2 | -25.9 | 33.6 | 0 | 0 | 0 | 114.3 | F1182 Q1190 A1194 E1203 V1204 S1205 | F1182-P1201 HydrophobicContact CE1-CB 4.24Å; F1182-P1201 HydrophobicContact CZ-CB 4.15Å; Q1190-P1201 HydrophobicContact CB-CB 4.2Å; Q1190-P1201 HydrophobicContact CB-CG 4.24Å; A1194-P1201 HydrophobicContact CB-CG 3.95Å; P1201-E1203 VanDerWaalsContact C-N 3.32Å; P1201-E1203 PolarHBondContact O-N 2.95Å; P1201-V1204 PolarHBondContact O-N 3.43Å; P1201-S1205 PolarHBondContact O-N 2.51Å; P1201-S1205 PolarHBondContact O-OG 3.04Å; P1201-S1205 VanDerWaalsContact O-OG 3.08Å |
| 1202 | P | 85.1 | Confident | 91.2 | Very high | 74 Ų | 74 | 53.6 Ų | 53.6 | 48% | 0.481 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -61.9 | -34.9 | 176.4 | -24.3 | 36 | 0 | 0 | 0 | 114.1 | T1200 S1205 K1206 | T1200-P1202 VanDerWaalsContact C-CD 3.48Å; T1200-P1202 VanDerWaalsContact C-N 3.34Å; P1202-S1205 PolarHBondContact O-N 3.3Å; P1202-K1206 VanDerWaalsContact O-CB 3.29Å; P1202-K1206 WeakPolarHBondContact O-CB 3.39Å; P1202-K1206 PolarHBondContact O-N 3.43Å |
| 1203 | E | 87.8 | Confident | 90.6 | Very high | 96 Ų | 96 | 53.7 Ų | 53.7 | 45% | 0.449 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -68.4 | -39.6 | 176.4 | -70.8 | 168.4 | 154.7 | 0 | 0 | 111.7 | R1199 T1200 P1201 K1206 K1207 | R1199-E1203 WeakPolarHBondContact CA-OE2 3.38Å; R1199-E1203 HydrophobicContact CB-CB 4.38Å; R1199-E1203 WeakPolarHBondContact CD-OE2 3.47Å; T1200-E1203 PolarHBondContact N-OE2 2.61Å; T1200-E1203 WeakPolarHBondContact O-CB 3.02Å; T1200-E1203 PolarHBondContact O-N 3.23Å; T1200-E1203 VanDerWaalsContact OG1-CD 3.22Å; T1200-E1203 VanDerWaalsContact OG1-CG 3.26Å; T1200-E1203 WeakPolarHBondContact OG1-CG 3.38Å; T1200-E1203 PolarHBondContact OG1-OE2 3.43Å; T1200-E1203 VanDerWaalsContact OG1-OE2 3.06Å; P1201-E1203 VanDerWaalsContact C-N 3.32Å; P1201-E1203 PolarHBondContact O-N 2.95Å; E1203-K1206 PolarHBondContact O-N 3.01Å; E1203-K1207 WeakPolarHBondContact O-CB 3.46Å; E1203-K1207 PolarHBondContact O-N 3.26Å |
| 1204 | V | 92.9 | Very high | 90.2 | Very high | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -62.6 | -49.7 | 174 | 177.9 | 0 | 0 | 0 | 0 | 109.8 | F1140 L1144 F1182 A1194 R1199 T1200 P1201 K1206 K1207 L1208 | F1140-V1204 HydrophobicContact CZ-CG1 4.26Å; F1140-V1204 HydrophobicContact CZ-CG2 4.27Å; L1144-V1204 HydrophobicContact CD1-CG1 4.18Å; L1144-V1204 HydrophobicContact CD2-CG1 4.11Å; F1182-V1204 HydrophobicContact CD1-CB 4.48Å; F1182-V1204 HydrophobicContact CD1-CG1 3.94Å; F1182-V1204 HydrophobicContact CD2-CG1 4.3Å; F1182-V1204 HydrophobicContact CE1-CB 3.92Å; F1182-V1204 HydrophobicContact CE1-CG1 3.82Å; F1182-V1204 HydrophobicContact CE2-CG1 4.19Å; F1182-V1204 HydrophobicContact CG-CG1 4.18Å; F1182-V1204 HydrophobicContact CZ-CB 4.03Å; F1182-V1204 HydrophobicContact CZ-CG1 3.96Å; F1182-V1204 HydrophobicContact CZ-CG2 4.42Å; A1194-V1204 HydrophobicContact CB-CG2 4.14Å; R1199-V1204 HydrophobicContact CB-CG2 4.02Å; T1200-V1204 PolarHBondContact O-N 3.13Å; T1200-V1204 VanDerWaalsContact O-N 3.13Å; P1201-V1204 PolarHBondContact O-N 3.43Å; V1204-K1206 VanDerWaalsContact C-N 3.32Å; V1204-K1206 PolarHBondContact O-N 3.2Å; V1204-K1207 PolarHBondContact O-N 3.32Å; V1204-L1208 HydrophobicContact CG1-CD1 4.45Å; V1204-L1208 WeakPolarHBondContact O-CG 3.16Å; V1204-L1208 PolarHBondContact O-N 2.67Å |
| 1205 | S | 88.9 | Confident | 89.8 | Confident | 17 Ų | 17 | 59.6 Ų | 59.6 | 12% | 0.119 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -58.8 | -41.7 | 177.4 | -55.7 | 0 | 0 | 0 | 0 | 112.4 | N1183 P1201 P1202 L1208 E1209 | N1183-S1205 WeakPolarHBondContact OD1-CB 3.19Å; N1183-S1205 PolarHBondContact OD1-OG 2.83Å; P1201-S1205 PolarHBondContact O-N 2.51Å; P1201-S1205 PolarHBondContact O-OG 3.04Å; P1201-S1205 VanDerWaalsContact O-OG 3.08Å; P1202-S1205 PolarHBondContact O-N 3.3Å; S1205-L1208 WeakPolarHBondContact O-CB 3.14Å; S1205-L1208 PolarHBondContact O-N 2.77Å; S1205-E1209 WeakPolarHBondContact O-CG 3.42Å; S1205-E1209 PolarHBondContact O-N 3.21Å |
| 1206 | K | 85.3 | Confident | 89.3 | Confident | 55 Ų | 55 | 54.1 Ų | 54.1 | 24% | 0.239 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -60.9 | -46.7 | 175.4 | -177.3 | 177 | -172.8 | 161.8 | 0 | 111.5 | D688 T689 P1202 E1203 V1204 L1208 E1209 D1210 | D688-K1206 IonicContact OD1-NZ 3.81Å; D688-K1206 PolarHBondContact OD1-NZ 2.97Å; T689-K1206 PolarHBondContact O-NZ 2.84Å; P1202-K1206 VanDerWaalsContact O-CB 3.29Å; P1202-K1206 WeakPolarHBondContact O-CB 3.39Å; P1202-K1206 PolarHBondContact O-N 3.43Å; E1203-K1206 PolarHBondContact O-N 3.01Å; V1204-K1206 VanDerWaalsContact C-N 3.32Å; V1204-K1206 PolarHBondContact O-N 3.2Å; K1206-L1208 VanDerWaalsContact C-N 3.31Å; K1206-L1208 PolarHBondContact O-N 3.15Å; K1206-E1209 PolarHBondContact O-N 2.77Å; K1206-E1209 VanDerWaalsContact O-N 3.11Å; K1206-D1210 VanDerWaalsContact O-CG 3.23Å; K1206-D1210 PolarHBondContact O-N 3.1Å |
| 1207 | K | 91.1 | Very high | 88.5 | Confident | 50 Ų | 50 | 50.5 Ų | 50.5 | 22% | 0.217 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -64.3 | -35.3 | 179.7 | -169.4 | 161.9 | 179.1 | 173 | 0 | 112.4 | D1137 F1140 F1141 E1203 V1204 | D1137-K1207 WeakPolarHBondContact OD1-CE 2.86Å; D1137-K1207 IonicContact OD1-NZ 2.75Å; D1137-K1207 PolarHBondContact OD1-NZ 3.47Å; F1140-K1207 HydrophobicContact CD1-CD 3.65Å; F1140-K1207 HydrophobicContact CD1-CG 4.29Å; F1140-K1207 HydrophobicContact CD2-CD 4.46Å; F1140-K1207 HydrophobicContact CE1-CB 4.27Å; F1140-K1207 HydrophobicContact CE1-CD 3.58Å; F1140-K1207 HydrophobicContact CE1-CG 3.95Å; F1140-K1207 HydrophobicContact CE2-CD 4.39Å; F1140-K1207 HydrophobicContact CG-CD 4.11Å; F1140-K1207 HydrophobicContact CZ-CD 3.97Å; F1141-K1207 HydrophobicContact CE2-CG 4.11Å; F1141-K1207 HydrophobicContact CZ-CG 4.07Å; E1203-K1207 WeakPolarHBondContact O-CB 3.46Å; E1203-K1207 PolarHBondContact O-N 3.26Å; V1204-K1207 PolarHBondContact O-N 3.32Å |
| 1208 | L | 91.4 | Very high | 88.2 | Confident | 3 Ų | 3 | 52 Ų | 52 | 2% | 0.016 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -62 | -46.3 | 170.9 | -67.1 | 171.4 | 0 | 0 | 0 | 111.5 | F1141 L1144 C1179 F1182 V1204 S1205 K1206 D1210 I1211 | F1141-L1208 HydrophobicContact CD1-CD2 4.14Å; F1141-L1208 HydrophobicContact CE1-CD2 3.53Å; L1144-L1208 HydrophobicContact CD2-CD2 3.6Å; L1144-L1208 HydrophobicContact CD2-CG 4.3Å; C1179-L1208 HydrophobicContact CB-CD2 3.79Å; F1182-L1208 HydrophobicContact CB-CD1 4.16Å; F1182-L1208 HydrophobicContact CD1-CD1 4.48Å; V1204-L1208 HydrophobicContact CG1-CD1 4.45Å; V1204-L1208 WeakPolarHBondContact O-CG 3.16Å; V1204-L1208 PolarHBondContact O-N 2.67Å; S1205-L1208 WeakPolarHBondContact O-CB 3.14Å; S1205-L1208 PolarHBondContact O-N 2.77Å; K1206-L1208 VanDerWaalsContact C-N 3.31Å; K1206-L1208 PolarHBondContact O-N 3.15Å; L1208-D1210 VanDerWaalsContact C-N 3.35Å; L1208-D1210 PolarHBondContact O-N 3.25Å; L1208-I1211 PolarHBondContact O-N 3.5Å |
| 1209 | E | 86.3 | Confident | 87.8 | Confident | 39 Ų | 39 | 47.4 Ų | 47.4 | 18% | 0.182 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -67.1 | -31.2 | 179 | -73.1 | 179.7 | -148.9 | 0 | 0 | 113.5 | R690 S1205 K1206 I1211 R1212 T1213 | R690-E1209 IonicContact CZ-OE2 3.37Å; R690-E1209 IonicContact NH1-OE1 2.79Å; R690-E1209 PolarHBondContact NH1-OE1 3.02Å; R690-E1209 IonicContact NH1-OE2 3.76Å; R690-E1209 PolarHBondContact NH1-OE2 2.68Å; S1205-E1209 WeakPolarHBondContact O-CG 3.42Å; S1205-E1209 PolarHBondContact O-N 3.21Å; K1206-E1209 PolarHBondContact O-N 2.77Å; K1206-E1209 VanDerWaalsContact O-N 3.11Å; E1209-I1211 PolarHBondContact O-N 3.17Å; E1209-R1212 PolarHBondContact O-N 3.36Å; E1209-R1212 VanDerWaalsContact O-N 3.13Å; E1209-T1213 WeakPolarHBondContact O-CB 3.41Å; E1209-T1213 PolarHBondContact O-N 2.87Å; E1209-T1213 PolarHBondContact O-OG1 2.67Å |
| 1210 | D | 87.4 | Confident | 87.5 | Confident | 82 Ų | 82 | 43.2 Ų | 43.2 | 44% | 0.439 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -60.7 | -34.9 | 179.6 | -72.3 | -24.4 | 0 | 0 | 0 | 111.8 | K1206 L1208 T1213 R1214 | K1206-D1210 VanDerWaalsContact O-CG 3.23Å; K1206-D1210 PolarHBondContact O-N 3.1Å; L1208-D1210 VanDerWaalsContact C-N 3.35Å; L1208-D1210 PolarHBondContact O-N 3.25Å; D1210-T1213 PolarHBondContact O-N 3.39Å; D1210-R1214 VanDerWaalsContact O-CB 3.29Å; D1210-R1214 WeakPolarHBondContact O-CB 3.47Å; D1210-R1214 PolarHBondContact O-N 3.43Å |
| 1211 | I | 90.4 | Very high | 87.3 | Confident | 22 Ų | 22 | 41.9 Ų | 41.9 | 11% | 0.113 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -65.4 | -45.3 | 175.3 | -56.9 | -66.2 | 0 | 0 | 0 | 110.6 | Y4 I6 V1130 F1141 L1208 E1209 R1214 Y1215 | Y4-I1211 HydrophobicContact CD1-CG2 3.78Å; Y4-I1211 HydrophobicContact CE1-CB 4.45Å; Y4-I1211 HydrophobicContact CE1-CG2 4.01Å; I6-I1211 HydrophobicContact CD1-CB 4.43Å; I6-I1211 HydrophobicContact CD1-CG2 3.56Å; V1130-I1211 HydrophobicContact CG1-CG2 4.11Å; F1141-I1211 HydrophobicContact CE1-CG1 4.28Å; F1141-I1211 HydrophobicContact CE2-CD1 4.09Å; F1141-I1211 HydrophobicContact CE2-CG1 4.02Å; F1141-I1211 HydrophobicContact CZ-CD1 4.13Å; F1141-I1211 HydrophobicContact CZ-CG1 3.54Å; L1208-I1211 PolarHBondContact O-N 3.5Å; E1209-I1211 PolarHBondContact O-N 3.17Å; I1211-R1214 PolarHBondContact O-N 2.93Å; I1211-Y1215 HydrophobicContact CG2-CD2 4.31Å; I1211-Y1215 WeakPolarHBondContact O-CD2 3.36Å; I1211-Y1215 PolarHBondContact O-N 3.46Å; I1211-Y1215 VanDerWaalsContact O-N 3.13Å |
| 1212 | R | 87.5 | Confident | 87.2 | Confident | 38 Ų | 38 | 42.6 Ų | 42.6 | 14% | 0.143 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -62.5 | -45.6 | 175.3 | -75.3 | -166.2 | 178.2 | -93.4 | -3.6 | 111.2 | I6 T7 E1180 E1209 R1214 Y1215 A1216 | I6-R1212 HydrophobicContact CD1-CG 4.42Å; I6-R1212 VanDerWaalsContact CG2-CZ 3.42Å; I6-R1212 VanDerWaalsContact CG2-NH2 3.29Å; T7-R1212 PolarHBondContact O-NH1 3.1Å; T7-R1212 PolarHBondContact O-NH2 2.86Å; T7-R1212 VanDerWaalsContact O-NH2 3.17Å; E1180-R1212 VanDerWaalsContact CD-NE 3.28Å; E1180-R1212 IonicContact OE1-CZ 3.16Å; E1180-R1212 IonicContact OE1-NE 3.73Å; E1180-R1212 PolarHBondContact OE1-NE 3.35Å; E1180-R1212 IonicContact OE1-NH2 2.76Å; E1180-R1212 PolarHBondContact OE1-NH2 2.76Å; E1180-R1212 IonicContact OE2-CZ 3.37Å; E1180-R1212 IonicContact OE2-NE 3.04Å; E1180-R1212 PolarHBondContact OE2-NE 3.38Å; E1180-R1212 VanDerWaalsContact OE2-NE 3.12Å; E1180-R1212 IonicContact OE2-NH2 3.14Å; E1180-R1212 PolarHBondContact OE2-NH2 3.1Å; E1209-R1212 PolarHBondContact O-N 3.36Å; E1209-R1212 VanDerWaalsContact O-N 3.13Å; R1212-R1214 PolarHBondContact O-N 3.19Å; R1212-Y1215 PolarHBondContact O-N 3.37Å; R1212-A1216 CarbonylContact O-C 3.49Å; R1212-A1216 WeakPolarHBondContact O-CA 3.5Å; R1212-A1216 WeakPolarHBondContact O-CB 3.35Å; R1212-A1216 PolarHBondContact O-N 3.04Å |
| 1213 | T | 83.6 | Confident | 87.3 | Confident | 47 Ų | 47 | 40.5 Ų | 40.5 | 29% | 0.288 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -62.4 | -32.7 | -178 | -54.4 | 0 | 0 | 0 | 0 | 112.4 | R692 I1110 E1209 D1210 | R692-T1213 HydrophobicContact CG-CG2 4.36Å; I1110-T1213 WeakPolarHBondContact CD1-O 3.37Å; E1209-T1213 WeakPolarHBondContact O-CB 3.41Å; E1209-T1213 PolarHBondContact O-N 2.87Å; E1209-T1213 PolarHBondContact O-OG1 2.67Å; D1210-T1213 PolarHBondContact O-N 3.39Å |
| 1214 | R | 86.2 | Confident | 87.3 | Confident | 115 Ų | 115 | 36.6 Ų | 36.6 | 43% | 0.434 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -85.6 | -35.2 | -176.9 | -177 | 173.3 | -179.9 | 176.1 | 6.1 | 114.6 | G1113 S1114 D1210 I1211 R1212 | G1113-R1214 WeakPolarHBondContact CA-O 3.27Å; S1114-R1214 PolarHBondContact N-O 3.28Å; D1210-R1214 VanDerWaalsContact O-CB 3.29Å; D1210-R1214 WeakPolarHBondContact O-CB 3.47Å; D1210-R1214 PolarHBondContact O-N 3.43Å; I1211-R1214 PolarHBondContact O-N 2.93Å; R1212-R1214 PolarHBondContact O-N 3.19Å |
| 1215 | Y | 88.4 | Confident | 86.8 | Confident | 9 Ų | 9 | 39.4 Ų | 39.4 | 4% | 0.035 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -115.3 | -16 | -172.2 | -66 | -91.9 | 0 | 0 | 0 | 113.8 | V1130 P1131 T1133 I1211 R1212 | V1130-Y1215 HydrophobicContact CB-CD1 4.44Å; V1130-Y1215 HydrophobicContact CB-CG 4.32Å; V1130-Y1215 HydrophobicContact CG1-CD1 3.62Å; V1130-Y1215 HydrophobicContact CG1-CD2 3.36Å; V1130-Y1215 HydrophobicContact CG1-CE1 3.63Å; V1130-Y1215 HydrophobicContact CG1-CE2 3.41Å; V1130-Y1215 VanDerWaalsContact CG1-CE2 3.41Å; V1130-Y1215 HydrophobicContact CG1-CG 3.47Å; V1130-Y1215 VanDerWaalsContact CG1-CG 3.47Å; V1130-Y1215 HydrophobicContact CG2-CD1 4.22Å; V1130-Y1215 HydrophobicContact CG2-CD2 4.38Å; V1130-Y1215 HydrophobicContact CG2-CG 3.88Å; P1131-Y1215 HydrophobicContact CG-CE1 4.28Å; P1131-Y1215 PolarHBondContact O-OH 3.33Å; P1131-Y1215 VanDerWaalsContact O-OH 3.12Å; T1133-Y1215 WeakPolarHBondContact CG2-OH 3.44Å; I1211-Y1215 HydrophobicContact CG2-CD2 4.31Å; I1211-Y1215 WeakPolarHBondContact O-CD2 3.36Å; I1211-Y1215 PolarHBondContact O-N 3.46Å; I1211-Y1215 VanDerWaalsContact O-N 3.13Å; R1212-Y1215 PolarHBondContact O-N 3.37Å |
| 1216 | A | 83.8 | Confident | 86.6 | Confident | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 19% | 0.188 | C | C | . | . | trans | -139.9 | -144.8 | -170.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | L8 I1110 I1128 R1212 | L8-A1216 HydrophobicContact CD2-CB 3.66Å; I1110-A1216 WeakPolarHBondContact CD1-O 3.29Å; I1110-A1216 WeakPolarHBondContact CG2-O 3.29Å; I1128-A1216 HydrophobicContact CD1-CB 3.73Å; R1212-A1216 CarbonylContact O-C 3.49Å; R1212-A1216 WeakPolarHBondContact O-CA 3.5Å; R1212-A1216 WeakPolarHBondContact O-CB 3.35Å; R1212-A1216 PolarHBondContact O-N 3.04Å | ||
| 1217 | F | 78.5 | Confident | 86.8 | Confident | 35 Ų | 35 | 40 Ų | 40 | 15% | 0.154 | 18% | 0.184 | C | C | . | . | trans | -111.5 | 0 | -168.6 | -61 | -49.9 | 0 | 0 | 0 | 113.6 | L8 H440 R692 F774 L1109 I1110 | L8-F1217 HydrophobicContact CD1-CD2 4.27Å; L8-F1217 HydrophobicContact CD1-CE2 4.04Å; H440-F1217 HydrophobicContact CB-CD1 3.8Å; H440-F1217 HydrophobicContact CB-CD2 4.15Å; H440-F1217 HydrophobicContact CB-CE1 3.49Å; H440-F1217 VanDerWaalsContact CB-CE1 3.49Å; H440-F1217 HydrophobicContact CB-CE2 3.89Å; H440-F1217 HydrophobicContact CB-CG 4.12Å; H440-F1217 HydrophobicContact CB-CZ 3.55Å; H440-F1217 AromaticContact CD2-CD1 3.82Å; H440-F1217 AromaticContact CD2-CD2 3.51Å; H440-F1217 AromaticContact CD2-CG 3.36Å; H440-F1217 WeakPolarHBondContact CD2-CG 3.41Å; H440-F1217 WeakPolarHBondContact CE1-CB 3.31Å; H440-F1217 AromaticContact CE1-CD1 3.62Å; H440-F1217 AromaticContact CE1-CG 3.53Å; H440-F1217 AromaticContact CG-CD1 3.27Å; H440-F1217 AromaticContact CG-CD2 3.69Å; H440-F1217 AromaticContact CG-CE1 3.56Å; H440-F1217 AromaticContact CG-CE2 3.96Å; H440-F1217 AromaticContact CG-CG 3.35Å; H440-F1217 AromaticContact CG-CZ 3.9Å; H440-F1217 AromaticContact ND1-CD1 3.15Å; H440-F1217 WeakPolarHBondContact ND1-CD1 2.79Å; H440-F1217 AromaticContact ND1-CE1 3.74Å; H440-F1217 AromaticContact ND1-CG 3.47Å; H440-F1217 WeakPolarHBondContact ND1-CG 3.21Å; H440-F1217 VanDerWaalsContact NE2-CB 3.28Å; H440-F1217 WeakPolarHBondContact NE2-CB 3.41Å; H440-F1217 AromaticContact NE2-CG 3.52Å; R692-F1217 PolarHBondContact NH1-OXT 2.93Å; R692-F1217 PolarHBondContact NH2-OXT 2.97Å; F774-F1217 HydrophobicContact CE1-CD2 4.49Å; F774-F1217 AromaticContact CE1-CE2 3.71Å; F774-F1217 HydrophobicContact CE1-CE2 3.71Å; F774-F1217 HydrophobicContact CE1-CZ 4.24Å; F774-F1217 HydrophobicContact CZ-CD2 4.11Å; F774-F1217 AromaticContact CZ-CE2 3.5Å; F774-F1217 HydrophobicContact CZ-CE2 3.5Å; F774-F1217 HydrophobicContact CZ-CZ 4.42Å; L1109-F1217 HydrophobicContact CB-CE1 4.35Å; L1109-F1217 HydrophobicContact CB-CZ 4.14Å; L1109-F1217 HydrophobicContact CD1-CE2 4.4Å; L1109-F1217 HydrophobicContact CD1-CZ 4.45Å; L1109-F1217 HydrophobicContact CD2-CZ 4.49Å; I1110-F1217 HydrophobicContact CG2-CD1 3.81Å; I1110-F1217 HydrophobicContact CG2-CE1 3.79Å |
Retrieved 1,217 of 1,217 residues in 370 ms
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