| 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 | 95.8 | Very high | 98 | Very high | 72 Ų | 72 | 53.2 Ų | 53.2 | 36% | 0.355 | 27% | 0.27 | S | S | . | . | 0 | 138.3 | 0 | -70.9 | -176.9 | 168.2 | 0 | 0 | 107.1 | F3 S22 L23 L174 N175 L179 | M1-F3 HydrophobicContact CB-CE2 3.8Å; M1-F3 HydrophobicContact CB-CZ 4Å; M1-F3 HydrophobicContact SD-CZ 4.28Å; M1-S22 CarbonylContact O-C 3.51Å; M1-S22 WeakPolarHBondContact O-CA 3.48Å; M1-L23 HydrophobicContact CB-CB 4.45Å; M1-L23 PolarHBondContact N-O 3.27Å; M1-L23 PolarHBondContact O-N 2.82Å; M1-L174 HydrophobicContact SD-CD1 4.35Å; M1-N175 HydrophobicContact CE-CB 4.29Å; M1-N175 WeakPolarHBondContact CE-O 3.13Å; M1-L179 HydrophobicContact CE-CB 4.2Å; M1-L179 HydrophobicContact CG-CB 4.39Å; M1-L179 HydrophobicContact CG-CD1 4.32Å; M1-L179 HydrophobicContact SD-CB 4.36Å | |||
| 2 | E | 97.5 | Very high | 97.9 | Very high | 145 Ų | 145 | 55.7 Ų | 55.7 | 68% | 0.678 | 28% | 0.283 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 136.6 | -177.8 | -66.4 | 178.6 | 166.7 | 0 | 0 | 109 | ||
| 3 | F | 98.5 | Very high | 98 | Very high | 40 Ų | 40 | 58.5 Ų | 58.5 | 18% | 0.175 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 141.2 | -177.8 | -55.9 | -83 | 0 | 0 | 0 | 109 | M1 M20 V21 L23 F132 L149 L174 | M1-F3 HydrophobicContact CB-CE2 3.8Å; M1-F3 HydrophobicContact CB-CZ 4Å; M1-F3 HydrophobicContact SD-CZ 4.28Å; F3-M20 CarbonylContact O-C 3.45Å; F3-M20 WeakPolarHBondContact O-CA 3.23Å; F3-V21 WeakPolarHBondContact CD2-O 3.45Å; F3-V21 PolarHBondContact N-O 2.96Å; F3-V21 PolarHBondContact O-N 3.33Å; F3-L23 HydrophobicContact CD2-CD1 4.48Å; F3-L23 HydrophobicContact CD2-CG 4.43Å; F3-L23 HydrophobicContact CE2-CD1 3.66Å; F3-L23 HydrophobicContact CE2-CG 3.94Å; F3-L23 HydrophobicContact CZ-CD1 4.42Å; F3-F132 HydrophobicContact CB-CE1 4.41Å; F3-F132 HydrophobicContact CD1-CD1 4.29Å; F3-F132 HydrophobicContact CD1-CE1 4.13Å; F3-F132 HydrophobicContact CD2-CD1 4.43Å; F3-F132 AromaticContact CD2-CE1 3.71Å; F3-F132 HydrophobicContact CD2-CE1 3.71Å; F3-F132 HydrophobicContact CD2-CZ 4.29Å; F3-F132 HydrophobicContact CE1-CD1 4.14Å; F3-F132 HydrophobicContact CE1-CE1 4.31Å; F3-F132 HydrophobicContact CE2-CD1 4.3Å; F3-F132 AromaticContact CE2-CE1 3.94Å; F3-F132 HydrophobicContact CE2-CE1 3.94Å; F3-F132 HydrophobicContact CE2-CZ 4.49Å; F3-F132 HydrophobicContact CG-CD1 4.43Å; F3-F132 AromaticContact CG-CE1 3.82Å; F3-F132 HydrophobicContact CG-CE1 3.82Å; F3-F132 HydrophobicContact CZ-CD1 4.14Å; F3-F132 HydrophobicContact CZ-CE1 4.22Å; F3-L149 HydrophobicContact CB-CD1 3.89Å; F3-L149 HydrophobicContact CB-CD2 3.77Å; F3-L149 HydrophobicContact CB-CG 4.48Å; F3-L149 HydrophobicContact CD1-CD2 3.76Å; F3-L149 HydrophobicContact CG-CD2 3.95Å; F3-L174 HydrophobicContact CZ-CD1 4Å |
| 4 | T | 98.6 | Very high | 97.9 | Very high | 54 Ų | 54 | 56.4 Ų | 56.4 | 33% | 0.331 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 120.3 | 179.6 | 52.4 | 0 | 0 | 0 | 0 | 110.3 | Q6 V19 L149 | T4-Q6 PolarHBondContact O-N 3.42Å; T4-Q6 PolarHBondContact OG1-OE1 2.86Å; T4-V19 CarbonylContact C-O 3.32Å; T4-V19 WeakPolarHBondContact CA-O 3.16Å; T4-L149 VanDerWaalsContact O-CD1 3.28Å; T4-L149 WeakPolarHBondContact O-CD1 3.42Å |
| 5 | V | 98.8 | Very high | 97.8 | Very high | 1 Ų | 1 | 61.1 Ų | 61.1 | 1% | 0.006 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 106.6 | 172.3 | 177.7 | 0 | 0 | 0 | 0 | 107.5 | P18 V19 A134 E147 L149 | V5-P18 WeakPolarHBondContact O-CB 3.24Å; V5-V19 HydrophobicContact CB-CB 4.11Å; V5-V19 HydrophobicContact CG2-CB 4.47Å; V5-V19 PolarHBondContact N-O 2.93Å; V5-V19 PolarHBondContact O-N 2.9Å; V5-A134 HydrophobicContact CG2-CB 4.29Å; V5-E147 HydrophobicContact CG1-CB 3.51Å; V5-L149 HydrophobicContact CG2-CB 4.07Å |
| 6 | Q | 98.2 | Very high | 97.7 | Very high | 91 Ų | 91 | 60.8 Ų | 60.8 | 43% | 0.425 | 33% | 0.333 | S | S | . | . | trans | -121.2 | -0.1 | -172 | -64.6 | -177.9 | -60.3 | 0 | 0 | 113.3 | T4 P13 V14 P18 | T4-Q6 PolarHBondContact O-N 3.42Å; T4-Q6 PolarHBondContact OG1-OE1 2.86Å; Q6-P13 WeakPolarHBondContact O-CA 3.25Å; Q6-V14 PolarHBondContact O-N 3.18Å; Q6-P18 HydrophobicContact CG-CB 3.83Å; Q6-P18 HydrophobicContact CG-CG 3.79Å | ||
| 7 | H | 98.6 | Very high | 97.7 | Very high | 65 Ų | 65 | 65.4 Ų | 65.4 | 30% | 0.301 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 149.5 | -177 | -58.4 | 86.2 | 0 | 0 | 0 | 109.9 | G11 I12 E147 A148 P151 | H7-G11 PolarHBondContact CD2-O 3.24Å; H7-I12 CarbonylContact C-O 3.14Å; H7-I12 WeakPolarHBondContact CA-O 3.44Å; H7-E147 CarbonylContact O-C 3.43Å; H7-E147 VanDerWaalsContact O-CA 3.28Å; H7-E147 WeakPolarHBondContact O-CA 3.49Å; H7-E147 WeakPolarHBondContact O-CB 3.35Å; H7-A148 PolarHBondContact O-N 3.3Å; H7-P151 HydrophobicContact CB-CG 4.15Å |
| 8 | T | 98.5 | Very high | 97.7 | Very high | 26 Ų | 26 | 64.5 Ų | 64.5 | 16% | 0.16 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.4 | 163.4 | 161.6 | 59.8 | 0 | 0 | 0 | 0 | 110.3 | D10 G11 I12 Y146 P151 | T8-D10 WeakPolarHBondContact CB-OD1 3.44Å; T8-D10 PolarHBondContact O-N 2.92Å; T8-D10 PolarHBondContact OG1-OD1 3.38Å; T8-G11 PolarHBondContact O-N 3.23Å; T8-I12 HydrophobicContact CG2-CB 4.38Å; T8-I12 PolarHBondContact N-O 3.41Å; T8-I12 WeakPolarHBondContact OG1-CA 3.28Å; T8-I12 VanDerWaalsContact OG1-CB 3.25Å; T8-I12 WeakPolarHBondContact OG1-CB 3.39Å; T8-I12 PolarHBondContact OG1-N 3.06Å; T8-I12 PolarHBondContact OG1-O 3.21Å; T8-Y146 CarbonylContact C-O 3.59Å; T8-Y146 VanDerWaalsContact CA-O 3.26Å; T8-Y146 WeakPolarHBondContact CA-O 3.39Å; T8-P151 WeakPolarHBondContact O-CB 3.35Å |
| 9 | W | 98.3 | Very high | 97.8 | Very high | 35 Ų | 35 | 61.2 Ų | 61.2 | 13% | 0.133 | 33% | 0.332 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.8 | -26.3 | -179.4 | 72.3 | -79.8 | 0 | 0 | 0 | 114.3 | Y146 P151 V152 L157 Q161 P163 F165 | W9-Y146 PolarHBondContact N-O 2.99Å; W9-P151 WeakPolarHBondContact O-CB 3.4Å; W9-V152 HydrophobicContact CE3-CG2 4.4Å; W9-V152 PolarHBondContact O-N 2.91Å; W9-L157 HydrophobicContact CE3-CD2 4.37Å; W9-L157 HydrophobicContact CH2-CD2 3.97Å; W9-L157 HydrophobicContact CZ3-CD2 3.54Å; W9-Q161 HydrophobicContact CH2-CB 4.24Å; W9-Q161 HydrophobicContact CH2-CG 4.12Å; W9-Q161 VanDerWaalsContact CH2-O 3.24Å; W9-Q161 WeakPolarHBondContact CH2-O 3.43Å; W9-Q161 WeakPolarHBondContact CZ2-O 3.35Å; W9-Q161 HydrophobicContact CZ3-CG 4.17Å; W9-P163 HydrophobicContact CB-CB 4.36Å; W9-P163 HydrophobicContact CD2-CB 3.87Å; W9-P163 HydrophobicContact CD2-CG 3.89Å; W9-P163 HydrophobicContact CE3-CB 4.37Å; W9-P163 HydrophobicContact CG-CB 3.85Å; W9-P163 HydrophobicContact CG-CG 3.93Å; W9-P163 HydrophobicContact CZ2-CG 4.29Å; W9-F165 HydrophobicContact CB-CE1 4.03Å |
| 10 | D | 97.6 | Very high | 97.8 | Very high | 35 Ų | 35 | 61.8 Ų | 61.8 | 19% | 0.187 | 33% | 0.333 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.3 | 12.3 | 178 | 62.2 | -24.1 | 0 | 0 | 0 | 113.5 | T8 I12 Q154 L157 | T8-D10 WeakPolarHBondContact CB-OD1 3.44Å; T8-D10 PolarHBondContact O-N 2.92Å; T8-D10 PolarHBondContact OG1-OD1 3.38Å; D10-I12 WeakPolarHBondContact OD2-CD1 3.24Å; D10-Q154 VanDerWaalsContact O-CG 3.22Å; D10-Q154 WeakPolarHBondContact O-CG 3.38Å; D10-L157 HydrophobicContact CB-CD1 3.6Å; D10-L157 HydrophobicContact CB-CD2 4.31Å |
| 11 | G | 97.4 | Very high | 97.9 | Very high | 21 Ų | 21 | 58.9 Ų | 58.9 | 22% | 0.216 | 32% | 0.317 | C | S | . | . | S | Bend | trans | 85.6 | 14.7 | 168.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | H7 T8 | H7-G11 PolarHBondContact CD2-O 3.24Å; T8-G11 PolarHBondContact O-N 3.23Å |
| 12 | I | 97.6 | Very high | 98 | Very high | 83 Ų | 83 | 55.8 Ų | 55.8 | 43% | 0.426 | 30% | 0.303 | S | S | . | . | P | Polyproline II helix | trans | -85.5 | 131.7 | 175.9 | -52.6 | 171.8 | 0 | 0 | 0 | 108.7 | H7 T8 D10 V14 | H7-I12 CarbonylContact C-O 3.14Å; H7-I12 WeakPolarHBondContact CA-O 3.44Å; T8-I12 HydrophobicContact CG2-CB 4.38Å; T8-I12 PolarHBondContact N-O 3.41Å; T8-I12 WeakPolarHBondContact OG1-CA 3.28Å; T8-I12 VanDerWaalsContact OG1-CB 3.25Å; T8-I12 WeakPolarHBondContact OG1-CB 3.39Å; T8-I12 PolarHBondContact OG1-N 3.06Å; T8-I12 PolarHBondContact OG1-O 3.21Å; D10-I12 WeakPolarHBondContact OD2-CD1 3.24Å; I12-V14 PolarHBondContact O-N 2.88Å |
| 13 | P | 98.2 | Very high | 98.1 | Very high | 92 Ų | 92 | 48.9 Ų | 48.9 | 60% | 0.597 | 27% | 0.27 | S | S | * | . | B | Isolated β-bridge | trans | -57.1 | 139.4 | 176.6 | -26.3 | 35.2 | 0 | 0 | 0 | 113 | Q6 | Q6-P13 WeakPolarHBondContact O-CA 3.25Å |
| 14 | V | 97.6 | Very high | 97.9 | Very high | 29 Ų | 29 | 51 Ų | 51 | 18% | 0.176 | 28% | 0.28 | C | S | . | . | P | Polyproline II helix | trans | -73.6 | 154.3 | 175.2 | -57.4 | 0 | 0 | 0 | 0 | 111.3 | Q6 I12 E147 | Q6-V14 PolarHBondContact O-N 3.18Å; I12-V14 PolarHBondContact O-N 2.88Å; V14-E147 VanDerWaalsContact CG1-CD 3.48Å; V14-E147 HydrophobicContact CG1-CG 3.85Å |
| 15 | S | 95.8 | Very high | 97.6 | Very high | 128 Ų | 128 | 52.1 Ų | 52.1 | 90% | 0.895 | 29% | 0.289 | S | S | * | . | S | Bend | trans | -107.6 | 19.4 | -177.4 | 66.8 | 0 | 0 | 0 | 0 | 114.2 | ||
| 16 | H | 97.1 | Very high | 96.7 | Very high | 56 Ų | 56 | 53 Ų | 53 | 26% | 0.259 | 30% | 0.299 | S | S | . | . | S | Bend | trans | -134.7 | -179.3 | 176.6 | 56.4 | 74.3 | 0 | 0 | 0 | 110.4 | F39 H138 E147 | H16-F39 AromaticContact CD2-CZ 3.93Å; H16-F39 AromaticContact CE1-CZ 3.7Å; H16-F39 AromaticContact CG-CZ 3.93Å; H16-F39 AromaticContact ND1-CZ 3.78Å; H16-F39 AromaticContact NE2-CZ 3.79Å; H16-H138 AromaticContact NE2-CE1 3.88Å; H16-H138 AromaticContact NE2-NE2 3.46Å; H16-H138 PolarHBondContact NE2-NE2 3.03Å; H16-E147 IonicContact CE1-OE1 3.89Å; H16-E147 PolarHBondContact CE1-OE1 2.9Å; H16-E147 VanDerWaalsContact CE1-OE1 3.3Å; H16-E147 IonicContact CE1-OE2 3.52Å; H16-E147 IonicContact NE2-OE1 3.59Å; H16-E147 PolarHBondContact NE2-OE1 3.39Å; H16-E147 IonicContact NE2-OE2 3.81Å |
| 17 | E | 97.4 | Very high | 95.5 | Very high | 139 Ų | 139 | 57.4 Ų | 57.4 | 65% | 0.65 | 33% | 0.326 | S | S | * | . | P | Polyproline II helix | trans | -59.1 | 130.4 | 173.6 | -68.3 | -171.8 | 165.9 | 0 | 0 | 110.8 | P37 | E17-P37 HydrophobicContact CB-CG 4.14Å; E17-P37 WeakPolarHBondContact O-CG 3.43Å |
| 18 | P | 97.9 | Very high | 94.6 | Very high | 49 Ų | 49 | 58 Ų | 58 | 32% | 0.318 | 34% | 0.342 | S | S | . | . | P | Polyproline II helix | trans | -61.7 | 148.1 | 179.3 | -28 | 37.2 | 0 | 0 | 0 | 113.6 | V5 Q6 | V5-P18 WeakPolarHBondContact O-CB 3.24Å; Q6-P18 HydrophobicContact CG-CB 3.83Å; Q6-P18 HydrophobicContact CG-CG 3.79Å |
| 19 | V | 98.7 | Very high | 94.2 | Very high | 2 Ų | 2 | 56.8 Ų | 56.8 | 1% | 0.012 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 130.7 | 165.2 | 170.9 | 0 | 0 | 0 | 0 | 109.3 | T4 V5 V21 V34 A36 V62 A136 | T4-V19 CarbonylContact C-O 3.32Å; T4-V19 WeakPolarHBondContact CA-O 3.16Å; V5-V19 HydrophobicContact CB-CB 4.11Å; V5-V19 HydrophobicContact CG2-CB 4.47Å; V5-V19 PolarHBondContact N-O 2.93Å; V5-V19 PolarHBondContact O-N 2.9Å; V19-V21 HydrophobicContact CG1-CG2 4.46Å; V19-V34 HydrophobicContact CG1-CG1 4.42Å; V19-A36 HydrophobicContact CB-CB 4.28Å; V19-A36 HydrophobicContact CG1-CB 4.04Å; V19-A36 HydrophobicContact CG2-CB 3.73Å; V19-V62 HydrophobicContact CG1-CG1 4.1Å; V19-V62 HydrophobicContact CG1-CG2 3.64Å; V19-V62 HydrophobicContact CG2-CG2 4.4Å; V19-A136 HydrophobicContact CB-CB 4.36Å; V19-A136 HydrophobicContact CG2-CB 3.77Å |
| 20 | M | 98.8 | Very high | 94 | Very high | 72 Ų | 72 | 55.1 Ų | 55.1 | 36% | 0.355 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 129.5 | 175.4 | -173.2 | -173.1 | -62.4 | 0 | 0 | 110.5 | F3 V34 S35 | F3-M20 CarbonylContact O-C 3.45Å; F3-M20 WeakPolarHBondContact O-CA 3.23Å; M20-V34 WeakPolarHBondContact O-CA 3.33Å; M20-S35 PolarHBondContact N-O 2.7Å; M20-S35 PolarHBondContact O-N 3.12Å |
| 21 | V | 98.8 | Very high | 94 | Very high | 1 Ų | 1 | 54.6 Ų | 54.6 | 1% | 0.006 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 122.3 | 170.3 | 178 | 0 | 0 | 0 | 0 | 108.6 | F3 V19 L23 M32 E33 V62 F132 A134 | F3-V21 WeakPolarHBondContact CD2-O 3.45Å; F3-V21 PolarHBondContact N-O 2.96Å; F3-V21 PolarHBondContact O-N 3.33Å; V19-V21 HydrophobicContact CG1-CG2 4.46Å; V21-L23 HydrophobicContact CG1-CD2 4.39Å; V21-M32 HydrophobicContact CG1-CE 3.81Å; V21-M32 HydrophobicContact CG1-CG 4.2Å; V21-M32 HydrophobicContact CG1-SD 4.47Å; V21-M32 HydrophobicContact CG2-CE 4.43Å; V21-E33 CarbonylContact C-O 3.58Å; V21-E33 WeakPolarHBondContact CA-O 3.04Å; V21-V62 HydrophobicContact CG2-CG1 3.92Å; V21-F132 HydrophobicContact CG1-CZ 4.22Å; V21-A134 HydrophobicContact CG2-CB 4.21Å |
| 22 | S | 98.5 | Very high | 94 | Very high | 7 Ų | 7 | 53.6 Ų | 53.6 | 5% | 0.049 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 133.8 | 178.6 | 161.7 | 0 | 0 | 0 | 0 | 110.1 | M1 M32 E33 | M1-S22 CarbonylContact O-C 3.51Å; M1-S22 WeakPolarHBondContact O-CA 3.48Å; S22-M32 CarbonylContact O-C 3.55Å; S22-M32 WeakPolarHBondContact O-CA 3.28Å; S22-E33 PolarHBondContact N-O 3.43Å; S22-E33 PolarHBondContact O-N 3.37Å |
| 23 | L | 98.3 | Very high | 94.1 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 125.9 | 175 | -54.9 | -180 | 0 | 0 | 0 | 109.6 | M1 F3 V21 L30 L31 M32 F66 F132 L174 L179 | M1-L23 HydrophobicContact CB-CB 4.45Å; M1-L23 PolarHBondContact N-O 3.27Å; M1-L23 PolarHBondContact O-N 2.82Å; F3-L23 HydrophobicContact CD2-CD1 4.48Å; F3-L23 HydrophobicContact CD2-CG 4.43Å; F3-L23 HydrophobicContact CE2-CD1 3.66Å; F3-L23 HydrophobicContact CE2-CG 3.94Å; F3-L23 HydrophobicContact CZ-CD1 4.42Å; V21-L23 HydrophobicContact CG1-CD2 4.39Å; L23-L30 HydrophobicContact CB-CD1 4.36Å; L23-L30 HydrophobicContact CB-CD2 4.45Å; L23-L30 HydrophobicContact CD1-CD2 4.18Å; L23-L30 HydrophobicContact CD2-CD2 4.01Å; L23-L30 HydrophobicContact CD2-CG 4.48Å; L23-L30 HydrophobicContact CG-CD2 4.45Å; L23-L31 CarbonylContact C-O 3.54Å; L23-L31 WeakPolarHBondContact CA-O 3.45Å; L23-M32 HydrophobicContact CD2-CB 4.08Å; L23-M32 HydrophobicContact CD2-CG 4.03Å; L23-F66 HydrophobicContact CD1-CE1 3.85Å; L23-F66 HydrophobicContact CD1-CZ 4.31Å; L23-F66 HydrophobicContact CD2-CE1 4.29Å; L23-F66 HydrophobicContact CD2-CZ 3.93Å; L23-F132 HydrophobicContact CD1-CE2 4.26Å; L23-F132 HydrophobicContact CD1-CZ 4.38Å; L23-L174 HydrophobicContact CD1-CD1 4.04Å; L23-L179 HydrophobicContact CB-CD2 4.01Å; L23-L179 WeakPolarHBondContact O-CD1 3.37Å |
| 24 | K | 96.3 | Very high | 94.1 | Very high | 86 Ų | 86 | 47.9 Ų | 47.9 | 37% | 0.374 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 150.4 | -178.7 | -69 | 174.9 | 178.8 | 167.8 | 0 | 110.7 | G26 L30 L31 E33 | K24-G26 PolarHBondContact O-N 3.35Å; K24-L30 WeakPolarHBondContact O-CD1 3.22Å; K24-L31 HydrophobicContact CB-CB 4.08Å; K24-L31 HydrophobicContact CB-CD2 4.14Å; K24-L31 HydrophobicContact CB-CG 4.33Å; K24-L31 HydrophobicContact CD-CD2 4.2Å; K24-L31 PolarHBondContact N-O 2.93Å; K24-L31 PolarHBondContact O-N 2.98Å; K24-E33 WeakPolarHBondContact CE-OE2 3.14Å; K24-E33 VanDerWaalsContact NZ-CD 3.34Å; K24-E33 IonicContact NZ-OE1 3.24Å; K24-E33 PolarHBondContact NZ-OE1 3.3Å; K24-E33 IonicContact NZ-OE2 2.63Å; K24-E33 PolarHBondContact NZ-OE2 3.32Å |
| 25 | S | 91.4 | Very high | 94.2 | Very high | 76 Ų | 76 | 47.9 Ų | 47.9 | 53% | 0.531 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.8 | 127.2 | 171.3 | 59.6 | 0 | 0 | 0 | 0 | 110.1 | M180 | S25-M180 VanDerWaalsContact CB-SD 3.55Å |
| 26 | G | 80.8 | Confident | 94.3 | Very high | 21 Ų | 21 | 42 Ų | 42 | 22% | 0.216 | 24% | 0.239 | C | C | . | . | trans | -115.4 | 159.4 | 168.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | K24 A28 G29 | K24-G26 PolarHBondContact O-N 3.35Å; G26-A28 PolarHBondContact O-N 3.32Å; G26-G29 CarbonylContact C-O 3.44Å; G26-G29 VanDerWaalsContact C-O 3.32Å; G26-G29 WeakPolarHBondContact CA-O 3.38Å; G26-G29 PolarHBondContact N-O 3.4Å | ||
| 27 | N | 72.4 | Confident | 94.4 | Very high | 183 Ų | 183 | 40 Ų | 40 | 98% | 0.979 | 23% | 0.231 | S | C | * | . | S | Bend | trans | -67.7 | -35.2 | -178.9 | -72.5 | -7.7 | 0 | 0 | 0 | 112.9 | ||
| 28 | A | 78.3 | Confident | 94.4 | Very high | 78 Ų | 78 | 34.8 Ų | 34.8 | 65% | 0.645 | 21% | 0.206 | S | C | * | . | S | Bend | trans | -111.5 | 2.1 | -176 | 0 | 0 | 0 | 0 | 0 | 113.8 | G26 | G26-A28 PolarHBondContact O-N 3.32Š|
| 29 | G | 90.2 | Very high | 94.5 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 175.8 | -171.5 | -168 | 0 | 0 | 0 | 0 | 0 | 112.9 | G26 L120 | G26-G29 CarbonylContact C-O 3.44Å; G26-G29 VanDerWaalsContact C-O 3.32Å; G26-G29 WeakPolarHBondContact CA-O 3.38Å; G26-G29 PolarHBondContact N-O 3.4Å; G29-L120 CarbonylContact C-O 3.48Å; G29-L120 WeakPolarHBondContact CA-O 3.42Å |
| 30 | L | 95.5 | Very high | 94.4 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 122.2 | 170.4 | -171.5 | 69.2 | 0 | 0 | 0 | 108.6 | L23 K24 M32 F66 L120 W122 F125 L176 L179 | L23-L30 HydrophobicContact CB-CD1 4.36Å; L23-L30 HydrophobicContact CB-CD2 4.45Å; L23-L30 HydrophobicContact CD1-CD2 4.18Å; L23-L30 HydrophobicContact CD2-CD2 4.01Å; L23-L30 HydrophobicContact CD2-CG 4.48Å; L23-L30 HydrophobicContact CG-CD2 4.45Å; K24-L30 WeakPolarHBondContact O-CD1 3.22Å; L30-M32 PolarHBondContact O-N 2.91Å; L30-F66 HydrophobicContact CD2-CE1 3.73Å; L30-F66 HydrophobicContact CD2-CZ 3.98Å; L30-L120 HydrophobicContact CB-CB 4.42Å; L30-L120 PolarHBondContact N-O 3.16Å; L30-L120 WeakPolarHBondContact O-CB 3.26Å; L30-L120 PolarHBondContact O-N 3.05Å; L30-W122 HydrophobicContact CB-CH2 4.1Å; L30-W122 HydrophobicContact CB-CZ2 4.24Å; L30-W122 HydrophobicContact CD1-CH2 4.17Å; L30-W122 HydrophobicContact CD1-CZ2 4.44Å; L30-F125 HydrophobicContact CB-CE2 4.15Å; L30-F125 HydrophobicContact CB-CZ 3.76Å; L30-F125 HydrophobicContact CD2-CE1 3.94Å; L30-F125 HydrophobicContact CD2-CZ 3.7Å; L30-F125 HydrophobicContact CG-CZ 4.4Å; L30-L176 HydrophobicContact CD1-CD2 4.42Å; L30-L176 HydrophobicContact CD2-CD2 4.35Å; L30-L179 HydrophobicContact CD1-CD2 3.51Å |
| 31 | L | 97.3 | Very high | 94.4 | Very high | 24 Ų | 24 | 38.6 Ų | 38.6 | 13% | 0.126 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 117.9 | 173.1 | 173.9 | 62.9 | 0 | 0 | 0 | 108.4 | L23 K24 E33 K117 V119 | L23-L31 CarbonylContact C-O 3.54Å; L23-L31 WeakPolarHBondContact CA-O 3.45Å; K24-L31 HydrophobicContact CB-CB 4.08Å; K24-L31 HydrophobicContact CB-CD2 4.14Å; K24-L31 HydrophobicContact CB-CG 4.33Å; K24-L31 HydrophobicContact CD-CD2 4.2Å; K24-L31 PolarHBondContact N-O 2.93Å; K24-L31 PolarHBondContact O-N 2.98Å; L31-E33 HydrophobicContact CD1-CG 4.47Å; L31-E33 HydrophobicContact CG-CG 4.27Å; L31-K117 HydrophobicContact CD1-CD 4.21Å; L31-K117 HydrophobicContact CD1-CG 3.59Å; L31-V119 HydrophobicContact CD1-CG2 4.17Å |
| 32 | M | 98.3 | Very high | 94.3 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 126.1 | 172.4 | 179.8 | 174.6 | 164.1 | 0 | 0 | 109.2 | V21 S22 L23 L30 V34 A64 V77 L79 A118 L120 | V21-M32 HydrophobicContact CG1-CE 3.81Å; V21-M32 HydrophobicContact CG1-CG 4.2Å; V21-M32 HydrophobicContact CG1-SD 4.47Å; V21-M32 HydrophobicContact CG2-CE 4.43Å; S22-M32 CarbonylContact O-C 3.55Å; S22-M32 WeakPolarHBondContact O-CA 3.28Å; L23-M32 HydrophobicContact CD2-CB 4.08Å; L23-M32 HydrophobicContact CD2-CG 4.03Å; L30-M32 PolarHBondContact O-N 2.91Å; M32-V34 HydrophobicContact CE-CG2 3.84Å; M32-A64 HydrophobicContact CE-CB 3.41Å; M32-A64 VanDerWaalsContact CE-CB 3.41Å; M32-A64 HydrophobicContact SD-CB 3.73Å; M32-V77 HydrophobicContact SD-CG1 4.39Å; M32-L79 HydrophobicContact CE-CD1 4.02Å; M32-L79 HydrophobicContact SD-CD1 4.42Å; M32-A118 PolarHBondContact N-O 3.39Å; M32-A118 PolarHBondContact O-N 3.4Å; M32-L120 HydrophobicContact CB-CD1 3.98Å; M32-L120 HydrophobicContact CB-CG 4.25Å; M32-L120 HydrophobicContact SD-CD1 4.11Å |
| 33 | E | 98.7 | Very high | 94.2 | Very high | 50 Ų | 50 | 43.4 Ų | 43.4 | 23% | 0.234 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 137.9 | 175.1 | -70.3 | 168.3 | 166.7 | 0 | 0 | 109.3 | V21 S22 K24 L31 G116 K117 | V21-E33 CarbonylContact C-O 3.58Å; V21-E33 WeakPolarHBondContact CA-O 3.04Å; S22-E33 PolarHBondContact N-O 3.43Å; S22-E33 PolarHBondContact O-N 3.37Å; K24-E33 WeakPolarHBondContact CE-OE2 3.14Å; K24-E33 VanDerWaalsContact NZ-CD 3.34Å; K24-E33 IonicContact NZ-OE1 3.24Å; K24-E33 PolarHBondContact NZ-OE1 3.3Å; K24-E33 IonicContact NZ-OE2 2.63Å; K24-E33 PolarHBondContact NZ-OE2 3.32Å; L31-E33 HydrophobicContact CD1-CG 4.47Å; L31-E33 HydrophobicContact CG-CG 4.27Å; E33-G116 CarbonylContact C-O 3.59Å; E33-G116 VanDerWaalsContact CA-O 3.27Å; E33-G116 WeakPolarHBondContact CA-O 3.41Å; E33-K117 HydrophobicContact CG-CG 4.2Å |
| 34 | V | 98.8 | Very high | 94.1 | Very high | 4 Ų | 4 | 45.5 Ų | 45.5 | 2% | 0.024 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 138.2 | 175.6 | 179 | 0 | 0 | 0 | 0 | 108.4 | V19 M20 M32 A36 V62 L79 W114 E115 G116 | V19-V34 HydrophobicContact CG1-CG1 4.42Å; M20-V34 WeakPolarHBondContact O-CA 3.33Å; M32-V34 HydrophobicContact CE-CG2 3.84Å; V34-A36 HydrophobicContact CG1-CB 4.1Å; V34-V62 HydrophobicContact CG1-CB 4.09Å; V34-V62 HydrophobicContact CG1-CG1 4.05Å; V34-V62 HydrophobicContact CG1-CG2 3.92Å; V34-V62 HydrophobicContact CG2-CB 4.48Å; V34-V62 HydrophobicContact CG2-CG1 4Å; V34-L79 HydrophobicContact CG2-CD1 3.95Å; V34-W114 HydrophobicContact CB-CH2 4.09Å; V34-W114 HydrophobicContact CB-CZ3 4.14Å; V34-W114 HydrophobicContact CG1-CH2 3.59Å; V34-W114 HydrophobicContact CG1-CZ2 3.85Å; V34-W114 HydrophobicContact CG1-CZ3 4.01Å; V34-E115 CarbonylContact O-C 3.48Å; V34-E115 WeakPolarHBondContact O-CA 3.45Å; V34-G116 PolarHBondContact N-O 3.34Å; V34-G116 PolarHBondContact O-N 2.87Å |
| 35 | S | 98.8 | Very high | 94.2 | Very high | 30 Ų | 30 | 41.8 Ų | 41.8 | 21% | 0.21 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 111.4 | 169.2 | 155.5 | 0 | 0 | 0 | 0 | 107.1 | M20 K113 | M20-S35 PolarHBondContact N-O 2.7Å; M20-S35 PolarHBondContact O-N 3.12Å; S35-K113 WeakPolarHBondContact OG-CE 3.18Å; S35-K113 PolarHBondContact OG-NZ 2.69Å |
| 36 | A | 98.6 | Very high | 94.3 | Very high | 3 Ų | 3 | 46 Ų | 46 | 3% | 0.025 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 154.8 | -169.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | V19 V34 V62 K113 W114 | V19-A36 HydrophobicContact CB-CB 4.28Å; V19-A36 HydrophobicContact CG1-CB 4.04Å; V19-A36 HydrophobicContact CG2-CB 3.73Å; V34-A36 HydrophobicContact CG1-CB 4.1Å; A36-V62 HydrophobicContact CB-CG2 4.4Å; A36-K113 CarbonylContact O-C 3.56Å; A36-K113 WeakPolarHBondContact O-CA 2.92Å; A36-K113 WeakPolarHBondContact O-CG 3.47Å; A36-W114 HydrophobicContact CB-CD2 4.5Å; A36-W114 HydrophobicContact CB-CZ2 4.17Å; A36-W114 PolarHBondContact N-O 3.29Å; A36-W114 PolarHBondContact O-N 3.41Å |
| 37 | P | 98.5 | Very high | 94.9 | Very high | 14 Ų | 14 | 46 Ų | 46 | 9% | 0.091 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -55.9 | 148.6 | 163.8 | -16.9 | 29.3 | 0 | 0 | 0 | 110.2 | E17 F39 T112 W114 | E17-P37 HydrophobicContact CB-CG 4.14Å; E17-P37 WeakPolarHBondContact O-CG 3.43Å; P37-F39 HydrophobicContact CB-CD2 4.36Å; P37-F39 HydrophobicContact CB-CE1 4.19Å; P37-F39 HydrophobicContact CB-CE2 3.73Å; P37-F39 HydrophobicContact CB-CZ 3.64Å; P37-F39 HydrophobicContact CG-CE2 4.13Å; P37-F39 HydrophobicContact CG-CZ 3.92Å; P37-T112 WeakPolarHBondContact CA-O 3.31Å; P37-W114 PolarHBondContact O-NE1 3.38Å |
| 38 | F | 98.6 | Very high | 96 | Very high | 30 Ų | 30 | 43.7 Ų | 43.7 | 13% | 0.132 | 26% | 0.255 | C | S | . | . | trans | -103.9 | 107.7 | 171.9 | 178.3 | -128.5 | 0 | 0 | 0 | 109.2 | N40 E60 P81 H82 R109 T112 W114 | F38-N40 HydrophobicContact CD1-CB 4.37Å; F38-N40 HydrophobicContact CD2-CB 4.46Å; F38-N40 HydrophobicContact CE1-CB 3.66Å; F38-N40 HydrophobicContact CE2-CB 3.75Å; F38-N40 HydrophobicContact CZ-CB 3.3Å; F38-N40 VanDerWaalsContact CZ-OD1 3.27Å; F38-N40 WeakPolarHBondContact CZ-OD1 3.17Å; F38-E60 WeakPolarHBondContact CA-OE1 3.34Å; F38-E60 WeakPolarHBondContact CD2-OE2 3.44Å; F38-P81 HydrophobicContact CD2-CB 3.76Å; F38-P81 HydrophobicContact CD2-CG 3.96Å; F38-P81 HydrophobicContact CE2-CB 3.92Å; F38-P81 HydrophobicContact CE2-CG 3.92Å; F38-H82 AromaticContact CE2-CE1 3.94Å; F38-H82 AromaticContact CE2-NE2 3.75Å; F38-H82 AromaticContact CZ-CE1 3.79Å; F38-R109 HydrophobicContact CD1-CG 3.89Å; F38-R109 HydrophobicContact CD2-CG 4.41Å; F38-R109 VanDerWaalsContact CE1-CD 3.47Å; F38-R109 HydrophobicContact CE1-CG 4.06Å; F38-R109 HydrophobicContact CG-CG 4.08Å; F38-R109 HydrophobicContact CZ-CG 4.39Å; F38-T112 PolarHBondContact N-O 2.94Å; F38-W114 HydrophobicContact CB-CB 4.48Å | ||
| 39 | F | 98.1 | Very high | 96.8 | Very high | 65 Ų | 65 | 44.4 Ų | 44.4 | 29% | 0.285 | 25% | 0.253 | S | S | . | . | trans | -87.8 | -29 | -177 | -61.8 | -80 | 0 | 0 | 0 | 112.4 | H16 P37 D41 E60 H138 | H16-F39 AromaticContact CD2-CZ 3.93Å; H16-F39 AromaticContact CE1-CZ 3.7Å; H16-F39 AromaticContact CG-CZ 3.93Å; H16-F39 AromaticContact ND1-CZ 3.78Å; H16-F39 AromaticContact NE2-CZ 3.79Å; P37-F39 HydrophobicContact CB-CD2 4.36Å; P37-F39 HydrophobicContact CB-CE1 4.19Å; P37-F39 HydrophobicContact CB-CE2 3.73Å; P37-F39 HydrophobicContact CB-CZ 3.64Å; P37-F39 HydrophobicContact CG-CE2 4.13Å; P37-F39 HydrophobicContact CG-CZ 3.92Å; F39-D41 PolarHBondContact O-N 2.7Å; F39-E60 WeakPolarHBondContact CD2-OE1 3.4Å; F39-E60 PolarHBondContact N-OE1 3.44Å; F39-E60 PolarHBondContact N-OE2 3.49Å; F39-H138 HydrophobicContact CB-CB 4.06Å; F39-H138 AromaticContact CD1-ND1 3.78Å; F39-H138 HydrophobicContact CD2-CB 3.47Å; F39-H138 VanDerWaalsContact CD2-CB 3.47Å; F39-H138 AromaticContact CD2-CD2 3.85Å; F39-H138 AromaticContact CD2-CG 3.46Å; F39-H138 VanDerWaalsContact CD2-CG 3.46Å; F39-H138 AromaticContact CD2-ND1 3.88Å; F39-H138 AromaticContact CE1-CE1 3.74Å; F39-H138 AromaticContact CE1-ND1 3.88Å; F39-H138 HydrophobicContact CE2-CB 4.05Å; F39-H138 AromaticContact CE2-CD2 3.48Å; F39-H138 VanDerWaalsContact CE2-CD2 3.48Å; F39-H138 WeakPolarHBondContact CE2-CD2 3.26Å; F39-H138 AromaticContact CE2-CG 3.58Å; F39-H138 AromaticContact CE2-ND1 3.96Å; F39-H138 AromaticContact CE2-NE2 3.76Å; F39-H138 HydrophobicContact CG-CB 3.84Å; F39-H138 AromaticContact CG-CG 3.81Å; F39-H138 AromaticContact CG-ND1 3.77Å; F39-H138 AromaticContact CZ-CD2 3.87Å; F39-H138 AromaticContact CZ-CE1 3.67Å; F39-H138 AromaticContact CZ-ND1 3.95Å; F39-H138 AromaticContact CZ-NE2 3.64Å | ||
| 40 | N | 97.5 | Very high | 96.9 | Very high | 81 Ų | 81 | 46.2 Ų | 46.2 | 43% | 0.433 | 27% | 0.271 | S | S | . | . | trans | 52.7 | 32.7 | -174.5 | -162 | 36.5 | 0 | 0 | 0 | 113.2 | F38 P42 E60 H82 | F38-N40 HydrophobicContact CD1-CB 4.37Å; F38-N40 HydrophobicContact CD2-CB 4.46Å; F38-N40 HydrophobicContact CE1-CB 3.66Å; F38-N40 HydrophobicContact CE2-CB 3.75Å; F38-N40 HydrophobicContact CZ-CB 3.3Å; F38-N40 VanDerWaalsContact CZ-OD1 3.27Å; F38-N40 WeakPolarHBondContact CZ-OD1 3.17Å; N40-P42 CarbonylContact C-O 3.43Å; N40-E60 WeakPolarHBondContact CA-OE2 3.33Å; N40-E60 PolarHBondContact N-OE2 2.95Å; N40-H82 PolarHBondContact OD1-CE1 2.8Å | ||
| 41 | D | 97.9 | Very high | 97 | Very high | 58 Ų | 58 | 51.7 Ų | 51.7 | 31% | 0.31 | 30% | 0.295 | S | S | . | . | trans | -138.9 | 118.8 | 179.1 | -170.6 | 26.5 | 0 | 0 | 0 | 110.1 | F39 H138 G139 S140 | F39-D41 PolarHBondContact O-N 2.7Å; D41-H138 CarbonylContact O-C 3.56Å; D41-G139 WeakPolarHBondContact O-CA 3.2Å; D41-G139 PolarHBondContact O-N 3.5Å; D41-G139 VanDerWaalsContact OD2-CA 3.27Å; D41-G139 WeakPolarHBondContact OD2-CA 3.37Å; D41-S140 VanDerWaalsContact OD1-CB 3.23Å; D41-S140 WeakPolarHBondContact OD1-CB 3.42Å; D41-S140 PolarHBondContact OD1-OG 3.22Å; D41-S140 PolarHBondContact OD2-N 3.17Å | ||
| 42 | P | 97.6 | Very high | 97 | Very high | 19 Ų | 19 | 52.8 Ų | 52.8 | 12% | 0.123 | 30% | 0.304 | C | S | . | . | S | Bend | cis | -65.8 | 169.2 | -6 | 31 | -37.5 | 0 | 0 | 0 | 112.8 | N40 D58 Y59 G139 S140 | N40-P42 CarbonylContact C-O 3.43Å; P42-D58 WeakPolarHBondContact CG-O 3.49Å; P42-Y59 HydrophobicContact CG-CD1 3.86Å; P42-Y59 HydrophobicContact CG-CG 4.31Å; P42-G139 WeakPolarHBondContact CD-O 3.28Å; P42-S140 WeakPolarHBondContact CA-OG 3.38Å; P42-S140 WeakPolarHBondContact CB-OG 3.26Å |
| 43 | P | 96.1 | Very high | 97 | Very high | 90 Ų | 90 | 54.9 Ų | 54.9 | 58% | 0.584 | 31% | 0.313 | S | S | * | . | trans | -56.1 | 164.4 | 172.7 | -23.7 | 33.6 | 0 | 0 | 0 | 112.9 | Y59 | P43-Y59 WeakPolarHBondContact O-CD1 2.77Å; P43-Y59 WeakPolarHBondContact O-CE1 3.4Å | ||
| 44 | A | 96.9 | Very high | 97 | Very high | 44 Ų | 44 | 54.9 Ų | 54.9 | 36% | 0.364 | 32% | 0.318 | S | S | . | . | trans | -43 | 141.2 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | H82 | A44-H82 HydrophobicContact CB-CB 4.06Å; A44-H82 VanDerWaalsContact CB-CG 3.48Å; A44-H82 WeakPolarHBondContact CB-ND1 3.35Å | ||
| 45 | P | 97 | Very high | 96.9 | Very high | 7 Ų | 7 | 55.1 Ų | 55.1 | 5% | 0.045 | 32% | 0.322 | C | S | . | . | trans | -55.1 | 148.8 | 169.3 | -19.5 | 28.9 | 0 | 0 | 0 | 112.2 | G47 F53 L56 Y59 Q84 | P45-G47 PolarHBondContact O-N 2.65Å; P45-G47 VanDerWaalsContact O-N 3.17Å; P45-F53 HydrophobicContact CB-CD1 4.05Å; P45-F53 HydrophobicContact CB-CD2 4.39Å; P45-F53 HydrophobicContact CB-CE1 3.97Å; P45-F53 HydrophobicContact CB-CE2 4.29Å; P45-F53 HydrophobicContact CB-CG 4.26Å; P45-F53 HydrophobicContact CB-CZ 4.08Å; P45-L56 HydrophobicContact CB-CD1 4.35Å; P45-L56 HydrophobicContact CG-CD1 3.64Å; P45-Y59 VanDerWaalsContact CA-CE1 3.42Å; P45-Y59 HydrophobicContact CB-CD1 4.2Å; P45-Y59 HydrophobicContact CB-CD2 4.27Å; P45-Y59 HydrophobicContact CB-CE1 4.1Å; P45-Y59 HydrophobicContact CB-CE2 4.17Å; P45-Y59 HydrophobicContact CB-CG 4.27Å; P45-Y59 HydrophobicContact CG-CD1 3.79Å; P45-Y59 HydrophobicContact CG-CD2 4.06Å; P45-Y59 HydrophobicContact CG-CE1 4.2Å; P45-Y59 HydrophobicContact CG-CE2 4.45Å; P45-Y59 HydrophobicContact CG-CG 3.7Å; P45-Q84 HydrophobicContact CB-CG 4.2Å; P45-Q84 HydrophobicContact CG-CG 4.32Å | ||
| 46 | L | 94.9 | Very high | 96.8 | Very high | 164 Ų | 164 | 53.7 Ų | 53.7 | 86% | 0.859 | 31% | 0.312 | S | S | * | . | S | Bend | trans | -70.1 | -8.3 | 179.4 | -63.7 | 177.1 | 0 | 0 | 0 | 113.7 | ||
| 47 | G | 93.9 | Very high | 96.8 | Very high | 23 Ų | 23 | 58.9 Ų | 58.9 | 24% | 0.237 | 33% | 0.331 | C | S | . | . | S | Bend | trans | -78.4 | 162.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | P45 Q84 | P45-G47 PolarHBondContact O-N 2.65Å; P45-G47 VanDerWaalsContact O-N 3.17Å; G47-Q84 PolarHBondContact O-NE2 3.07Å |
| 48 | E | 94.6 | Very high | 96.8 | Very high | 133 Ų | 133 | 63.2 Ų | 63.2 | 62% | 0.621 | 35% | 0.353 | S | S | * | . | P | Polyproline II helix | trans | -70.3 | 137.2 | 174.2 | -65.5 | 179 | 171.9 | 0 | 0 | 111.4 | K51 | E48-K51 HydrophobicContact CB-CB 4.47Å; E48-K51 HydrophobicContact CB-CG 3.83Å; E48-K51 WeakPolarHBondContact O-CB 3.32Å; E48-K51 PolarHBondContact O-N 3.1Å |
| 49 | P | 94.7 | Very high | 96.8 | Very high | 93 Ų | 93 | 64 Ų | 64 | 60% | 0.604 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.4 | 142.8 | 168.6 | -27.3 | 36 | 0 | 0 | 0 | 112.1 | K51 H82 | P49-K51 VanDerWaalsContact C-N 3.25Å; P49-K51 PolarHBondContact O-N 3.01Å; P49-H82 WeakPolarHBondContact CB-O 3.47Å; P49-H82 WeakPolarHBondContact CG-O 3.36Å |
| 50 | G | 93.6 | Very high | 96.8 | Very high | 38 Ų | 38 | 61.1 Ų | 61.1 | 39% | 0.392 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 77.7 | 3.8 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | G83 H85 | G50-G83 WeakPolarHBondContact CA-O 3.42Å; G50-G83 PolarHBondContact N-O 3.39Å; G50-H85 PolarHBondContact O-CE1 3.49Å |
| 51 | K | 96.6 | Very high | 96.9 | Very high | 115 Ų | 115 | 57.4 Ų | 57.4 | 50% | 0.5 | 32% | 0.323 | S | S | . | . | S | Bend | trans | -109 | 153.2 | 175.4 | -59.4 | -58.8 | -175.5 | -177.3 | 0 | 112 | E48 P49 Q84 H85 | E48-K51 HydrophobicContact CB-CB 4.47Å; E48-K51 HydrophobicContact CB-CG 3.83Å; E48-K51 WeakPolarHBondContact O-CB 3.32Å; E48-K51 PolarHBondContact O-N 3.1Å; P49-K51 VanDerWaalsContact C-N 3.25Å; P49-K51 PolarHBondContact O-N 3.01Å; K51-Q84 WeakPolarHBondContact O-CA 3.45Å; K51-H85 PolarHBondContact O-N 3.33Å |
| 52 | P | 97.8 | Very high | 96.9 | Very high | 47 Ų | 47 | 54.8 Ų | 54.8 | 31% | 0.305 | 31% | 0.309 | S | S | . | . | B | Isolated β-bridge | trans | -67.2 | 139.4 | 171.6 | 27.4 | -33.8 | 0 | 0 | 0 | 111.1 | H85 K100 | P52-H85 CarbonylContact C-O 3.6Å; P52-H85 WeakPolarHBondContact CA-O 3.43Å; P52-K100 HydrophobicContact CB-CB 3.71Å; P52-K100 HydrophobicContact CB-CG 4.05Å; P52-K100 HydrophobicContact CG-CB 3.91Å; P52-K100 HydrophobicContact CG-CG 4.49Å |
| 53 | F | 98.1 | Very high | 97 | Very high | 45 Ų | 45 | 54 Ų | 54 | 20% | 0.197 | 30% | 0.304 | C | S | . | . | trans | -134.4 | 119.2 | -178.9 | -171.2 | -91 | 0 | 0 | 0 | 110.8 | P45 L56 Y59 Q84 H85 | P45-F53 HydrophobicContact CB-CD1 4.05Å; P45-F53 HydrophobicContact CB-CD2 4.39Å; P45-F53 HydrophobicContact CB-CE1 3.97Å; P45-F53 HydrophobicContact CB-CE2 4.29Å; P45-F53 HydrophobicContact CB-CG 4.26Å; P45-F53 HydrophobicContact CB-CZ 4.08Å; F53-L56 HydrophobicContact CB-CD1 4.33Å; F53-L56 HydrophobicContact CD1-CD1 3.98Å; F53-Y59 HydrophobicContact CD1-CE2 4.48Å; F53-Y59 HydrophobicContact CE1-CD2 4.2Å; F53-Y59 AromaticContact CE1-CE2 3.58Å; F53-Y59 HydrophobicContact CE1-CE2 3.58Å; F53-Y59 HydrophobicContact CZ-CE2 4.18Å; F53-Q84 HydrophobicContact CB-CB 3.92Å; F53-Q84 HydrophobicContact CB-CG 4.17Å; F53-H85 PolarHBondContact N-O 3.44Å | ||
| 54 | S | 97.7 | Very high | 97.1 | Very high | 49 Ų | 49 | 49.8 Ų | 49.8 | 34% | 0.343 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.1 | 143.1 | 177.7 | -70.7 | 0 | 0 | 0 | 0 | 111.4 | K100 | S54-K100 WeakPolarHBondContact OG-CE 3.35Å; S54-K100 PolarHBondContact OG-NZ 3.09Å; S54-K100 VanDerWaalsContact OG-NZ 3.14Å |
| 55 | G | 97.1 | Very high | 97.2 | Very high | 9 Ų | 9 | 47.7 Ų | 47.7 | 9% | 0.093 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 74.8 | 29.9 | 179 | 0 | 0 | 0 | 0 | 0 | 112.9 | W57 D58 | G55-W57 PolarHBondContact O-N 3.14Å; G55-D58 WeakPolarHBondContact O-CB 3.33Å; G55-D58 PolarHBondContact O-N 3.18Å |
| 56 | L | 97.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 26% | 0.257 | C | S | . | . | G | 310 helix | trans | -66.9 | -24.8 | -176.7 | -164.8 | 63.8 | 0 | 0 | 0 | 111.6 | P45 F53 D58 Y59 V61 E78 C80 Q84 L86 | P45-L56 HydrophobicContact CB-CD1 4.35Å; P45-L56 HydrophobicContact CG-CD1 3.64Å; F53-L56 HydrophobicContact CB-CD1 4.33Å; F53-L56 HydrophobicContact CD1-CD1 3.98Å; L56-D58 PolarHBondContact O-N 3.12Å; L56-D58 VanDerWaalsContact O-N 3.1Å; L56-Y59 WeakPolarHBondContact O-CA 3.47Å; L56-Y59 WeakPolarHBondContact O-CB 3.39Å; L56-Y59 PolarHBondContact O-N 2.77Å; L56-V61 HydrophobicContact CD2-CG2 4.14Å; L56-V61 HydrophobicContact CG-CG2 4.02Å; L56-E78 HydrophobicContact CB-CB 4.48Å; L56-E78 WeakPolarHBondContact CB-OE2 3.21Å; L56-E78 HydrophobicContact CD2-CB 4.07Å; L56-C80 HydrophobicContact CD1-CB 3.75Å; L56-C80 HydrophobicContact CD2-CB 3.86Å; L56-C80 HydrophobicContact CG-CB 4.03Å; L56-Q84 HydrophobicContact CD1-CB 3.99Å; L56-Q84 HydrophobicContact CD2-CB 4.46Å; L56-L86 HydrophobicContact CB-CB 4.32Å; L56-L86 HydrophobicContact CD2-CB 4.46Å |
| 57 | W | 98.1 | Very high | 97.5 | Very high | 112 Ų | 112 | 39.8 Ų | 39.8 | 42% | 0.424 | 22% | 0.218 | S | C | . | . | G | 310 helix | trans | -56.6 | -14.2 | 166.5 | 64.1 | 74 | 0 | 0 | 0 | 115.9 | G55 E63 E78 L86 I137 R144 | G55-W57 PolarHBondContact O-N 3.14Å; W57-E63 WeakPolarHBondContact CB-OE1 3.34Å; W57-E78 PolarHBondContact N-OE2 3.21Å; W57-E78 VanDerWaalsContact N-OE2 3.17Å; W57-L86 HydrophobicContact CE3-CD2 4.37Å; W57-L86 HydrophobicContact CZ3-CD2 3.81Å; W57-I137 HydrophobicContact CB-CD1 3.92Å; W57-R144 PolarHBondContact O-NH2 3Å |
| 58 | D | 98.1 | Very high | 97.7 | Very high | 105 Ų | 105 | 38.7 Ų | 38.7 | 56% | 0.561 | 21% | 0.206 | S | C | * | . | G | 310 helix | trans | -79.8 | -7.8 | 171.2 | -68.4 | -34 | 0 | 0 | 0 | 112.2 | P42 G55 L56 | P42-D58 WeakPolarHBondContact CG-O 3.49Å; G55-D58 WeakPolarHBondContact O-CB 3.33Å; G55-D58 PolarHBondContact O-N 3.18Å; L56-D58 PolarHBondContact O-N 3.12Å; L56-D58 VanDerWaalsContact O-N 3.1Å |
| 59 | Y | 98.6 | Very high | 97.7 | Very high | 46 Ų | 46 | 36 Ų | 36 | 18% | 0.18 | 20% | 0.196 | C | C | . | . | S | Bend | trans | -114.4 | 179.1 | -175.7 | -65.6 | -90.8 | 0 | 0 | 0 | 113.5 | P42 P43 P45 F53 L56 V61 R144 | P42-Y59 HydrophobicContact CG-CD1 3.86Å; P42-Y59 HydrophobicContact CG-CG 4.31Å; P43-Y59 WeakPolarHBondContact O-CD1 2.77Å; P43-Y59 WeakPolarHBondContact O-CE1 3.4Å; P45-Y59 VanDerWaalsContact CA-CE1 3.42Å; P45-Y59 HydrophobicContact CB-CD1 4.2Å; P45-Y59 HydrophobicContact CB-CD2 4.27Å; P45-Y59 HydrophobicContact CB-CE1 4.1Å; P45-Y59 HydrophobicContact CB-CE2 4.17Å; P45-Y59 HydrophobicContact CB-CG 4.27Å; P45-Y59 HydrophobicContact CG-CD1 3.79Å; P45-Y59 HydrophobicContact CG-CD2 4.06Å; P45-Y59 HydrophobicContact CG-CE1 4.2Å; P45-Y59 HydrophobicContact CG-CE2 4.45Å; P45-Y59 HydrophobicContact CG-CG 3.7Å; F53-Y59 HydrophobicContact CD1-CE2 4.48Å; F53-Y59 HydrophobicContact CE1-CD2 4.2Å; F53-Y59 AromaticContact CE1-CE2 3.58Å; F53-Y59 HydrophobicContact CE1-CE2 3.58Å; F53-Y59 HydrophobicContact CZ-CE2 4.18Å; L56-Y59 WeakPolarHBondContact O-CA 3.47Å; L56-Y59 WeakPolarHBondContact O-CB 3.39Å; L56-Y59 PolarHBondContact O-N 2.77Å; Y59-V61 PolarHBondContact O-N 3.39Å; Y59-R144 PolarHBondContact O-NH1 2.76Å; Y59-R144 PolarHBondContact O-NH2 3.31Å |
| 60 | E | 98.8 | Very high | 97.7 | Very high | 5 Ų | 5 | 41.4 Ų | 41.4 | 2% | 0.023 | 20% | 0.204 | C | C | . | . | S | Bend | trans | -63 | 120.9 | 164.7 | -171.6 | 178.7 | 172.2 | 0 | 0 | 109.3 | F38 F39 N40 C80 P81 I137 H138 | F38-E60 WeakPolarHBondContact CA-OE1 3.34Å; F38-E60 WeakPolarHBondContact CD2-OE2 3.44Å; F39-E60 WeakPolarHBondContact CD2-OE1 3.4Å; F39-E60 PolarHBondContact N-OE1 3.44Å; F39-E60 PolarHBondContact N-OE2 3.49Å; N40-E60 WeakPolarHBondContact CA-OE2 3.33Å; N40-E60 PolarHBondContact N-OE2 2.95Å; E60-C80 PolarHBondContact O-SG 2.85Å; E60-C80 VanDerWaalsContact O-SG 3.34Å; E60-P81 HydrophobicContact CB-CG 4.04Å; E60-P81 HydrophobicContact CG-CG 3.88Å; E60-P81 VanDerWaalsContact O-CD 3.22Å; E60-P81 WeakPolarHBondContact O-CD 3.49Å; E60-I137 CarbonylContact C-O 3.47Å; E60-I137 VanDerWaalsContact CA-O 3.28Å; E60-I137 WeakPolarHBondContact CA-O 3.25Å; E60-H138 HydrophobicContact CG-CB 4.15Å |
| 61 | V | 98.8 | Very high | 97.8 | Very high | 3 Ų | 3 | 42.4 Ų | 42.4 | 2% | 0.018 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.6 | 147.8 | -172.1 | 71.7 | 0 | 0 | 0 | 0 | 111.5 | L56 Y59 E63 E78 L79 A136 I137 | L56-V61 HydrophobicContact CD2-CG2 4.14Å; L56-V61 HydrophobicContact CG-CG2 4.02Å; Y59-V61 PolarHBondContact O-N 3.39Å; V61-E63 HydrophobicContact CG1-CG 4.09Å; V61-E63 HydrophobicContact CG2-CG 4.28Å; V61-E78 HydrophobicContact CG2-CB 3.8Å; V61-L79 WeakPolarHBondContact CA-O 3.41Å; V61-L79 WeakPolarHBondContact CG2-O 3.48Å; V61-A136 WeakPolarHBondContact O-CA 3.39Å; V61-I137 HydrophobicContact CG1-CB 3.94Å; V61-I137 HydrophobicContact CG1-CD1 3.94Å; V61-I137 HydrophobicContact CG1-CG1 3.81Å; V61-I137 PolarHBondContact N-O 2.84Å; V61-I137 PolarHBondContact O-N 2.85Å |
| 62 | V | 98.9 | Very high | 97.8 | Very high | 3 Ų | 3 | 42.1 Ų | 42.1 | 2% | 0.018 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 129.8 | 164.2 | 170.4 | 0 | 0 | 0 | 0 | 108.5 | V19 V21 V34 A36 L79 W114 F135 A136 | V19-V62 HydrophobicContact CG1-CG1 4.1Å; V19-V62 HydrophobicContact CG1-CG2 3.64Å; V19-V62 HydrophobicContact CG2-CG2 4.4Å; V21-V62 HydrophobicContact CG2-CG1 3.92Å; V34-V62 HydrophobicContact CG1-CB 4.09Å; V34-V62 HydrophobicContact CG1-CG1 4.05Å; V34-V62 HydrophobicContact CG1-CG2 3.92Å; V34-V62 HydrophobicContact CG2-CB 4.48Å; V34-V62 HydrophobicContact CG2-CG1 4Å; A36-V62 HydrophobicContact CB-CG2 4.4Å; V62-L79 PolarHBondContact N-O 3.11Å; V62-L79 PolarHBondContact O-N 2.62Å; V62-W114 HydrophobicContact CB-CH2 4.28Å; V62-W114 HydrophobicContact CB-CZ2 4.19Å; V62-W114 HydrophobicContact CG2-CH2 4.26Å; V62-W114 HydrophobicContact CG2-CZ2 3.7Å; V62-F135 WeakPolarHBondContact CA-O 3.16Å; V62-A136 HydrophobicContact CG2-CB 4.26Å |
| 63 | E | 98.9 | Very high | 97.8 | Very high | 4 Ų | 4 | 41 Ų | 41 | 2% | 0.019 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 144.9 | -178 | -47.3 | -175.6 | 176.6 | 0 | 0 | 111 | W57 V61 F65 V77 E78 A134 F135 I137 F165 | W57-E63 WeakPolarHBondContact CB-OE1 3.34Å; V61-E63 HydrophobicContact CG1-CG 4.09Å; V61-E63 HydrophobicContact CG2-CG 4.28Å; E63-F65 HydrophobicContact CB-CD2 4.5Å; E63-F65 HydrophobicContact CB-CE2 3.92Å; E63-F65 WeakPolarHBondContact OE2-CE2 3.43Å; E63-V77 CarbonylContact C-O 3.55Å; E63-V77 WeakPolarHBondContact CA-O 3.49Å; E63-E78 HydrophobicContact CB-CG 4.49Å; E63-E78 HydrophobicContact CG-CB 4.42Å; E63-E78 HydrophobicContact CG-CG 3.92Å; E63-A134 CarbonylContact O-C 3.59Å; E63-A134 WeakPolarHBondContact O-CA 3.28Å; E63-A134 WeakPolarHBondContact O-CB 3.06Å; E63-F135 HydrophobicContact CB-CB 4.25Å; E63-F135 HydrophobicContact CB-CD2 4.43Å; E63-F135 PolarHBondContact N-O 3.31Å; E63-F135 PolarHBondContact O-N 3.03Å; E63-I137 WeakPolarHBondContact OE1-CD1 3.45Å; E63-F165 WeakPolarHBondContact OE2-CD2 3.36Å |
| 64 | A | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 133.5 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | M32 F66 V77 F132 | M32-A64 HydrophobicContact CE-CB 3.41Å; M32-A64 VanDerWaalsContact CE-CB 3.41Å; M32-A64 HydrophobicContact SD-CB 3.73Å; A64-F66 HydrophobicContact CB-CE2 4.04Å; A64-F66 HydrophobicContact CB-CZ 4.44Å; A64-V77 PolarHBondContact N-O 3.05Å; A64-V77 PolarHBondContact O-N 3.34Å; A64-F132 HydrophobicContact CB-CE2 3.97Å; A64-F132 HydrophobicContact CB-CZ 4.26Å |
| 65 | F | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 129.9 | -177 | -70.2 | -112.8 | 0 | 0 | 0 | 110.3 | E63 Y74 L75 E76 F132 N133 F135 F165 H166 F171 | E63-F65 HydrophobicContact CB-CD2 4.5Å; E63-F65 HydrophobicContact CB-CE2 3.92Å; E63-F65 WeakPolarHBondContact OE2-CE2 3.43Å; F65-Y74 AromaticContact CD1-CD2 3.79Å; F65-Y74 HydrophobicContact CD1-CD2 3.79Å; F65-Y74 AromaticContact CD1-CE2 3.95Å; F65-Y74 HydrophobicContact CD1-CE2 3.95Å; F65-Y74 HydrophobicContact CE1-CD2 4.27Å; F65-Y74 AromaticContact CE1-CE2 4Å; F65-Y74 HydrophobicContact CE1-CE2 4Å; F65-L75 CarbonylContact C-O 3.45Å; F65-L75 WeakPolarHBondContact CA-O 3.43Å; F65-E76 HydrophobicContact CD1-CB 3.97Å; F65-E76 HydrophobicContact CD1-CG 4.16Å; F65-E76 HydrophobicContact CE1-CB 3.8Å; F65-E76 HydrophobicContact CE1-CG 3.58Å; F65-E76 VanDerWaalsContact CE1-OE2 3.31Å; F65-E76 WeakPolarHBondContact CE1-OE2 3.14Å; F65-E76 HydrophobicContact CE2-CG 4Å; F65-E76 HydrophobicContact CZ-CB 4.22Å; F65-E76 HydrophobicContact CZ-CG 3.5Å; F65-E76 VanDerWaalsContact CZ-CG 3.5Å; F65-E76 WeakPolarHBondContact CZ-OE1 3.34Å; F65-F132 WeakPolarHBondContact O-CA 3.45Å; F65-F132 WeakPolarHBondContact O-CD2 3.37Å; F65-N133 PolarHBondContact N-O 2.77Å; F65-N133 PolarHBondContact O-N 2.85Å; F65-F135 AromaticContact CD2-CD2 3.63Å; F65-F135 HydrophobicContact CD2-CD2 3.63Å; F65-F135 AromaticContact CD2-CE2 3.48Å; F65-F135 HydrophobicContact CD2-CE2 3.48Å; F65-F135 VanDerWaalsContact CD2-CE2 3.48Å; F65-F135 AromaticContact CE2-CD2 3.52Å; F65-F135 HydrophobicContact CE2-CD2 3.52Å; F65-F135 AromaticContact CE2-CE2 3.58Å; F65-F135 HydrophobicContact CE2-CE2 3.58Å; F65-F135 HydrophobicContact CG-CE2 4.25Å; F65-F135 HydrophobicContact CZ-CE2 4.41Å; F65-F165 HydrophobicContact CZ-CB 4.37Å; F65-H166 AromaticContact CE1-CE1 3.85Å; F65-H166 AromaticContact CE1-ND1 3.75Å; F65-F171 HydrophobicContact CB-CD2 4.29Å; F65-F171 HydrophobicContact CB-CE2 3.36Å; F65-F171 HydrophobicContact CB-CZ 3.68Å; F65-F171 HydrophobicContact CD1-CE2 4.08Å; F65-F171 AromaticContact CD1-CZ 3.85Å; F65-F171 HydrophobicContact CD1-CZ 3.85Å; F65-F171 AromaticContact CG-CE2 3.98Å; F65-F171 HydrophobicContact CG-CE2 3.98Å; F65-F171 AromaticContact CG-CZ 3.81Å; F65-F171 HydrophobicContact CG-CZ 3.81Å |
| 66 | F | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 105.6 | 179 | -61.9 | -84.6 | 0 | 0 | 0 | 109 | L23 L30 A64 Y74 L75 V77 L120 F125 T129 F132 L174 | L23-F66 HydrophobicContact CD1-CE1 3.85Å; L23-F66 HydrophobicContact CD1-CZ 4.31Å; L23-F66 HydrophobicContact CD2-CE1 4.29Å; L23-F66 HydrophobicContact CD2-CZ 3.93Å; L30-F66 HydrophobicContact CD2-CE1 3.73Å; L30-F66 HydrophobicContact CD2-CZ 3.98Å; A64-F66 HydrophobicContact CB-CE2 4.04Å; A64-F66 HydrophobicContact CB-CZ 4.44Å; F66-Y74 CarbonylContact O-C 3.59Å; F66-Y74 WeakPolarHBondContact O-CA 3.23Å; F66-Y74 WeakPolarHBondContact O-CB 3.35Å; F66-L75 HydrophobicContact CB-CB 4.32Å; F66-L75 HydrophobicContact CD2-CD2 4.17Å; F66-L75 HydrophobicContact CD2-CG 4.37Å; F66-L75 PolarHBondContact N-O 3.08Å; F66-L75 PolarHBondContact O-N 2.9Å; F66-V77 HydrophobicContact CD2-CG2 4.37Å; F66-V77 HydrophobicContact CE2-CG2 4.18Å; F66-L120 HydrophobicContact CE2-CD1 3.6Å; F66-L120 HydrophobicContact CZ-CD1 3.92Å; F66-F125 HydrophobicContact CB-CD1 3.97Å; F66-F125 HydrophobicContact CB-CE1 3.93Å; F66-F125 HydrophobicContact CD1-CD1 4.32Å; F66-F125 AromaticContact CD1-CE1 3.58Å; F66-F125 HydrophobicContact CD1-CE1 3.58Å; F66-F125 AromaticContact CD2-CE1 3.93Å; F66-F125 HydrophobicContact CD2-CE1 3.93Å; F66-F125 HydrophobicContact CD2-CZ 4.45Å; F66-F125 AromaticContact CE1-CE1 3.97Å; F66-F125 HydrophobicContact CE1-CE1 3.97Å; F66-F125 HydrophobicContact CE2-CE1 4.3Å; F66-F125 HydrophobicContact CG-CD1 4.1Å; F66-F125 AromaticContact CG-CE1 3.53Å; F66-F125 HydrophobicContact CG-CE1 3.53Å; F66-F125 HydrophobicContact CG-CZ 4.45Å; F66-F125 HydrophobicContact CZ-CE1 4.31Å; F66-T129 HydrophobicContact CB-CG2 3.79Å; F66-T129 HydrophobicContact CD1-CG2 4.47Å; F66-F132 AromaticContact CD1-CD2 3.77Å; F66-F132 HydrophobicContact CD1-CD2 3.77Å; F66-F132 HydrophobicContact CD1-CE2 4.13Å; F66-F132 AromaticContact CE1-CD2 3.6Å; F66-F132 HydrophobicContact CE1-CD2 3.6Å; F66-F132 AromaticContact CE1-CE2 3.55Å; F66-F132 HydrophobicContact CE1-CE2 3.55Å; F66-F132 HydrophobicContact CE2-CE2 4.26Å; F66-F132 HydrophobicContact CG-CD2 4.44Å; F66-F132 HydrophobicContact CZ-CD2 4.14Å; F66-F132 AromaticContact CZ-CE2 3.63Å; F66-F132 HydrophobicContact CZ-CE2 3.63Å; F66-L174 HydrophobicContact CD1-CD2 3.73Å; F66-L174 HydrophobicContact CE1-CD2 4.09Å |
| 67 | L | 98.7 | Very high | 98 | Very high | 6 Ų | 6 | 36.4 Ų | 36.4 | 3% | 0.031 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 143.3 | -169.1 | 166.3 | 74.4 | 0 | 0 | 0 | 111.4 | Y74 N130 K131 L168 F171 | L67-Y74 HydrophobicContact CD1-CD1 3.93Å; L67-Y74 HydrophobicContact CD1-CG 4.27Å; L67-N130 PolarHBondContact O-N 2.92Å; L67-N130 PolarHBondContact O-OD1 3.1Å; L67-K131 HydrophobicContact CB-CB 3.79Å; L67-K131 HydrophobicContact CD2-CB 3.86Å; L67-K131 HydrophobicContact CD2-CG 4.18Å; L67-K131 HydrophobicContact CG-CB 3.97Å; L67-K131 HydrophobicContact CG-CG 4.44Å; L67-K131 PolarHBondContact N-O 2.9Å; L67-K131 PolarHBondContact O-N 3.27Å; L67-L168 HydrophobicContact CD1-CD1 4.15Å; L67-L168 HydrophobicContact CD2-CB 3.93Å; L67-L168 HydrophobicContact CD2-CD2 4.34Å; L67-L168 HydrophobicContact CD2-CG 4.49Å; L67-F171 HydrophobicContact CB-CD2 3.82Å; L67-F171 HydrophobicContact CB-CE2 4.17Å; L67-F171 HydrophobicContact CD2-CB 4.28Å; L67-F171 HydrophobicContact CD2-CD2 3.65Å; L67-F171 HydrophobicContact CD2-CE2 4.26Å; L67-F171 HydrophobicContact CD2-CG 4.21Å; L67-F171 HydrophobicContact CG-CD2 4.39Å |
| 68 | S | 97.9 | Very high | 98 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 110.4 | 161.5 | -177.1 | 0 | 0 | 0 | 0 | 108.7 | R70 T71 E72 Q73 P127 C128 | S68-R70 PolarHBondContact O-N 2.74Å; S68-T71 WeakPolarHBondContact CB-OG1 3.12Å; S68-T71 PolarHBondContact O-N 2.8Å; S68-T71 PolarHBondContact OG-OG1 3.31Å; S68-E72 WeakPolarHBondContact O-CA 3.47Å; S68-E72 PolarHBondContact O-N 3.41Å; S68-Q73 PolarHBondContact N-O 2.87Å; S68-P127 VanDerWaalsContact CB-O 3.25Å; S68-P127 WeakPolarHBondContact CB-O 3.37Å; S68-P127 PolarHBondContact OG-O 3.13Å; S68-C128 PolarHBondContact OG-O 3.14Å |
| 69 | D | 96 | Very high | 98.1 | Very high | 77 Ų | 77 | 26 Ų | 26 | 41% | 0.412 | 12% | 0.118 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | -17.1 | 178.7 | 65.2 | 3 | 0 | 0 | 0 | 113.4 | N130 K131 | D69-N130 PolarHBondContact N-OD1 2.85Å; D69-N130 PolarHBondContact OD1-ND2 2.91Å; D69-N130 PolarHBondContact OD1-OD1 2.81Å; D69-N130 PolarHBondContact OD2-ND2 2.94Å; D69-N130 VanDerWaalsContact OD2-ND2 3.12Å; D69-K131 HydrophobicContact CB-CG 3.88Å; D69-K131 WeakPolarHBondContact OD2-CE 3.36Å |
| 70 | R | 94.7 | Very high | 98.1 | Very high | 205 Ų | 205 | 23.9 Ų | 23.9 | 77% | 0.774 | 11% | 0.11 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76.3 | -38.2 | 177.8 | -176.7 | 178 | 177.6 | -168.2 | -1.3 | 112.8 | S68 | S68-R70 PolarHBondContact O-N 2.74Š|
| 71 | T | 94.9 | Very high | 98.1 | Very high | 59 Ų | 59 | 23.6 Ų | 23.6 | 36% | 0.362 | 11% | 0.109 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -111.6 | -7.2 | -174.1 | 61.3 | 0 | 0 | 0 | 0 | 113.3 | S68 Q73 | S68-T71 WeakPolarHBondContact CB-OG1 3.12Å; S68-T71 PolarHBondContact O-N 2.8Å; S68-T71 PolarHBondContact OG-OG1 3.31Å; T71-Q73 PolarHBondContact O-N 2.82Å; T71-Q73 VanDerWaalsContact O-N 3.12Å; T71-Q73 WeakPolarHBondContact OG1-CB 3.24Å; T71-Q73 PolarHBondContact OG1-N 2.94Å; T71-Q73 PolarHBondContact OG1-OE1 3.34Å |
| 72 | E | 96.2 | Very high | 98 | Very high | 109 Ų | 109 | 24.5 Ų | 24.5 | 51% | 0.509 | 11% | 0.113 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.3 | 23.9 | -169 | -59.7 | -165.4 | 139.6 | 0 | 0 | 113.7 | S68 Y74 G92 | S68-E72 WeakPolarHBondContact O-CA 3.47Å; S68-E72 PolarHBondContact O-N 3.41Å; E72-Y74 WeakPolarHBondContact O-CD1 3.5Å; E72-G92 WeakPolarHBondContact O-CA 3.36Å; E72-G92 PolarHBondContact O-N 3.37Å |
| 73 | Q | 97.9 | Very high | 98 | Very high | 24 Ų | 24 | 24.8 Ų | 24.8 | 11% | 0.112 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 138.8 | 172.7 | -67.9 | 171.7 | -22.6 | 0 | 0 | 109.5 | S68 T71 L90 P126 W192 | S68-Q73 PolarHBondContact N-O 2.87Å; T71-Q73 PolarHBondContact O-N 2.82Å; T71-Q73 VanDerWaalsContact O-N 3.12Å; T71-Q73 WeakPolarHBondContact OG1-CB 3.24Å; T71-Q73 PolarHBondContact OG1-N 2.94Å; T71-Q73 PolarHBondContact OG1-OE1 3.34Å; Q73-L90 CarbonylContact C-O 3.57Å; Q73-L90 VanDerWaalsContact CA-O 3.24Å; Q73-L90 WeakPolarHBondContact CA-O 3.33Å; Q73-P126 HydrophobicContact CB-CB 3.61Å; Q73-P126 HydrophobicContact CB-CG 4.48Å; Q73-P126 VanDerWaalsContact O-CG 3.32Å; Q73-P126 WeakPolarHBondContact O-CG 3.48Å; Q73-W192 HydrophobicContact CB-CE3 4.16Å; Q73-W192 HydrophobicContact CB-CH2 4Å; Q73-W192 HydrophobicContact CB-CZ3 3.64Å; Q73-W192 HydrophobicContact CG-CE3 4.13Å; Q73-W192 HydrophobicContact CG-CZ3 3.74Å |
| 74 | Y | 98.5 | Very high | 98 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.8 | 146.8 | -179.4 | 56.3 | -79.6 | 0 | 0 | 0 | 113.2 | F65 F66 L67 E72 L90 R94 H166 L168 | F65-Y74 AromaticContact CD1-CD2 3.79Å; F65-Y74 HydrophobicContact CD1-CD2 3.79Å; F65-Y74 AromaticContact CD1-CE2 3.95Å; F65-Y74 HydrophobicContact CD1-CE2 3.95Å; F65-Y74 HydrophobicContact CE1-CD2 4.27Å; F65-Y74 AromaticContact CE1-CE2 4Å; F65-Y74 HydrophobicContact CE1-CE2 4Å; F66-Y74 CarbonylContact O-C 3.59Å; F66-Y74 WeakPolarHBondContact O-CA 3.23Å; F66-Y74 WeakPolarHBondContact O-CB 3.35Å; L67-Y74 HydrophobicContact CD1-CD1 3.93Å; L67-Y74 HydrophobicContact CD1-CG 4.27Å; E72-Y74 WeakPolarHBondContact O-CD1 3.5Å; Y74-L90 HydrophobicContact CD1-CB 3.97Å; Y74-L90 HydrophobicContact CD2-CB 3.95Å; Y74-L90 HydrophobicContact CD2-CD1 3.79Å; Y74-L90 HydrophobicContact CD2-CG 4.29Å; Y74-L90 HydrophobicContact CE1-CB 3.58Å; Y74-L90 HydrophobicContact CE2-CB 3.59Å; Y74-L90 HydrophobicContact CE2-CD1 3.53Å; Y74-L90 HydrophobicContact CE2-CD2 3.57Å; Y74-L90 HydrophobicContact CE2-CG 3.72Å; Y74-L90 HydrophobicContact CG-CB 4.13Å; Y74-L90 PolarHBondContact N-O 3.16Å; Y74-L90 PolarHBondContact O-N 2.93Å; Y74-L90 WeakPolarHBondContact OH-CD2 3.45Å; Y74-R94 PolarHBondContact OH-N 2.84Å; Y74-H166 AromaticContact CE2-ND1 3.72Å; Y74-H166 AromaticContact CZ-ND1 3.83Å; Y74-H166 PolarHBondContact OH-ND1 3.36Å; Y74-H166 VanDerWaalsContact OH-ND1 3.14Å; Y74-L168 HydrophobicContact CD1-CD1 4.22Å; Y74-L168 HydrophobicContact CD1-CD2 4.3Å; Y74-L168 HydrophobicContact CE1-CD1 3.9Å; Y74-L168 HydrophobicContact CE1-CD2 4.08Å |
| 75 | L | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 130.1 | 164.8 | 166.1 | 65.7 | 0 | 0 | 0 | 107.8 | F65 F66 V77 L87 L88 L89 F125 | F65-L75 CarbonylContact C-O 3.45Å; F65-L75 WeakPolarHBondContact CA-O 3.43Å; F66-L75 HydrophobicContact CB-CB 4.32Å; F66-L75 HydrophobicContact CD2-CD2 4.17Å; F66-L75 HydrophobicContact CD2-CG 4.37Å; F66-L75 PolarHBondContact N-O 3.08Å; F66-L75 PolarHBondContact O-N 2.9Å; L75-V77 HydrophobicContact CD1-CG2 4.05Å; L75-V77 HydrophobicContact CD2-CG2 3.97Å; L75-V77 HydrophobicContact CG-CG2 3.79Å; L75-L87 HydrophobicContact CD1-CD2 4.38Å; L75-L88 WeakPolarHBondContact CA-O 3.18Å; L75-L89 HydrophobicContact CB-CD2 4.36Å; L75-L89 HydrophobicContact CD1-CD2 3.68Å; L75-F125 HydrophobicContact CD2-CD1 4.4Å; L75-F125 HydrophobicContact CD2-CD2 4.22Å; L75-F125 HydrophobicContact CD2-CE1 4.28Å; L75-F125 HydrophobicContact CD2-CE2 4.09Å; L75-F125 HydrophobicContact CD2-CG 4.38Å; L75-F125 HydrophobicContact CD2-CZ 4.11Å |
| 76 | E | 98.8 | Very high | 98 | Very high | 6 Ų | 6 | 24.9 Ų | 24.9 | 3% | 0.028 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 130.7 | 171.6 | 168.7 | 174.6 | -173 | 0 | 0 | 108.5 | F65 E78 L87 L88 L90 H166 | F65-E76 HydrophobicContact CD1-CB 3.97Å; F65-E76 HydrophobicContact CD1-CG 4.16Å; F65-E76 HydrophobicContact CE1-CB 3.8Å; F65-E76 HydrophobicContact CE1-CG 3.58Å; F65-E76 VanDerWaalsContact CE1-OE2 3.31Å; F65-E76 WeakPolarHBondContact CE1-OE2 3.14Å; F65-E76 HydrophobicContact CE2-CG 4Å; F65-E76 HydrophobicContact CZ-CB 4.22Å; F65-E76 HydrophobicContact CZ-CG 3.5Å; F65-E76 VanDerWaalsContact CZ-CG 3.5Å; F65-E76 WeakPolarHBondContact CZ-OE1 3.34Å; E76-E78 HydrophobicContact CG-CG 4.41Å; E76-L87 WeakPolarHBondContact O-CA 3.18Å; E76-L88 HydrophobicContact CB-CB 4.19Å; E76-L88 HydrophobicContact CG-CD1 4.37Å; E76-L88 PolarHBondContact N-O 3.12Å; E76-L88 PolarHBondContact O-N 3.14Å; E76-L90 HydrophobicContact CB-CD1 3.87Å; E76-L90 WeakPolarHBondContact OE2-CD1 3.46Å; E76-H166 IonicContact OE1-CE1 3.52Å; E76-H166 IonicContact OE2-CE1 2.85Å; E76-H166 PolarHBondContact OE2-CE1 2.97Å; E76-H166 VanDerWaalsContact OE2-CE1 3.27Å |
| 77 | V | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 118.2 | -175.2 | -176.1 | 0 | 0 | 0 | 0 | 107.8 | M32 E63 A64 F66 L75 L79 L87 L120 | M32-V77 HydrophobicContact SD-CG1 4.39Å; E63-V77 CarbonylContact C-O 3.55Å; E63-V77 WeakPolarHBondContact CA-O 3.49Å; A64-V77 PolarHBondContact N-O 3.05Å; A64-V77 PolarHBondContact O-N 3.34Å; F66-V77 HydrophobicContact CD2-CG2 4.37Å; F66-V77 HydrophobicContact CE2-CG2 4.18Å; L75-V77 HydrophobicContact CD1-CG2 4.05Å; L75-V77 HydrophobicContact CD2-CG2 3.97Å; L75-V77 HydrophobicContact CG-CG2 3.79Å; V77-L79 HydrophobicContact CG1-CD1 4.5Å; V77-L79 HydrophobicContact CG1-CD2 4.03Å; V77-L79 HydrophobicContact CG1-CG 4.08Å; V77-L87 HydrophobicContact CG1-CD1 4.24Å; V77-L87 HydrophobicContact CG1-CG 4.43Å; V77-L87 HydrophobicContact CG2-CG 4.39Å; V77-L120 HydrophobicContact CG1-CD2 3.85Å; V77-L120 HydrophobicContact CG2-CD1 4.04Å; V77-L120 HydrophobicContact CG2-CD2 3.93Å |
| 78 | E | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 127 | 177.6 | -56.4 | 177.4 | -136.6 | 0 | 0 | 109.1 | L56 W57 V61 E63 E76 H85 L86 | L56-E78 HydrophobicContact CB-CB 4.48Å; L56-E78 WeakPolarHBondContact CB-OE2 3.21Å; L56-E78 HydrophobicContact CD2-CB 4.07Å; W57-E78 PolarHBondContact N-OE2 3.21Å; W57-E78 VanDerWaalsContact N-OE2 3.17Å; V61-E78 HydrophobicContact CG2-CB 3.8Å; E63-E78 HydrophobicContact CB-CG 4.49Å; E63-E78 HydrophobicContact CG-CB 4.42Å; E63-E78 HydrophobicContact CG-CG 3.92Å; E76-E78 HydrophobicContact CG-CG 4.41Å; E78-H85 CarbonylContact O-C 3.51Å; E78-H85 WeakPolarHBondContact O-CA 3.22Å; E78-L86 HydrophobicContact CB-CB 4.03Å; E78-L86 HydrophobicContact CG-CB 4.36Å; E78-L86 PolarHBondContact N-O 3.06Å; E78-L86 PolarHBondContact O-N 3Å; E78-L86 WeakPolarHBondContact OE1-CD2 3.39Å |
| 79 | L | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 121.9 | -175.8 | -59.6 | -178.3 | 0 | 0 | 0 | 110.6 | M32 V34 V61 V62 V77 H85 L103 F105 W114 A118 | M32-L79 HydrophobicContact CE-CD1 4.02Å; M32-L79 HydrophobicContact SD-CD1 4.42Å; V34-L79 HydrophobicContact CG2-CD1 3.95Å; V61-L79 WeakPolarHBondContact CA-O 3.41Å; V61-L79 WeakPolarHBondContact CG2-O 3.48Å; V62-L79 PolarHBondContact N-O 3.11Å; V62-L79 PolarHBondContact O-N 2.62Å; V77-L79 HydrophobicContact CG1-CD1 4.5Å; V77-L79 HydrophobicContact CG1-CD2 4.03Å; V77-L79 HydrophobicContact CG1-CG 4.08Å; L79-H85 HydrophobicContact CD2-CB 4.06Å; L79-L103 HydrophobicContact CD2-CD2 3.74Å; L79-F105 HydrophobicContact CB-CE1 4.17Å; L79-F105 HydrophobicContact CB-CE2 4.08Å; L79-F105 HydrophobicContact CB-CZ 3.67Å; L79-F105 HydrophobicContact CD1-CD2 4.42Å; L79-F105 HydrophobicContact CD1-CE2 3.99Å; L79-F105 HydrophobicContact CD1-CZ 4.44Å; L79-F105 HydrophobicContact CD2-CD1 4.11Å; L79-F105 HydrophobicContact CD2-CD2 3.93Å; L79-F105 HydrophobicContact CD2-CE1 4.12Å; L79-F105 HydrophobicContact CD2-CE2 3.95Å; L79-F105 HydrophobicContact CD2-CG 4.02Å; L79-F105 HydrophobicContact CD2-CZ 4.04Å; L79-F105 HydrophobicContact CG-CE2 4.23Å; L79-F105 HydrophobicContact CG-CZ 4.25Å; L79-W114 HydrophobicContact CB-CH2 4.31Å; L79-A118 HydrophobicContact CD1-CB 4.1Å; L79-A118 HydrophobicContact CD2-CB 4.31Å |
| 80 | C | 98.4 | Very high | 98.1 | Very high | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 10% | 0.098 | C | C | . | . | trans | -101.7 | 142.2 | -178.8 | 179.2 | 0 | 0 | 0 | 0 | 111.7 | L56 E60 H82 G83 Q84 F105 | L56-C80 HydrophobicContact CD1-CB 3.75Å; L56-C80 HydrophobicContact CD2-CB 3.86Å; L56-C80 HydrophobicContact CG-CB 4.03Å; E60-C80 PolarHBondContact O-SG 2.85Å; E60-C80 VanDerWaalsContact O-SG 3.34Å; C80-H82 PolarHBondContact O-N 2.89Å; C80-G83 PolarHBondContact O-N 3.08Å; C80-Q84 HydrophobicContact CB-CB 4.4Å; C80-Q84 WeakPolarHBondContact CB-O 3.48Å; C80-Q84 PolarHBondContact N-O 2.85Å; C80-F105 WeakPolarHBondContact O-CE1 3.33Å | ||
| 81 | P | 98.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 13.4 Ų | 13.4 | 0% | 0 | 7% | 0.073 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -6.7 | 175.1 | 26 | -36.1 | 0 | 0 | 0 | 114.6 | F38 E60 V107 R109 W114 | F38-P81 HydrophobicContact CD2-CB 3.76Å; F38-P81 HydrophobicContact CD2-CG 3.96Å; F38-P81 HydrophobicContact CE2-CB 3.92Å; F38-P81 HydrophobicContact CE2-CG 3.92Å; E60-P81 HydrophobicContact CB-CG 4.04Å; E60-P81 HydrophobicContact CG-CG 3.88Å; E60-P81 VanDerWaalsContact O-CD 3.22Å; E60-P81 WeakPolarHBondContact O-CD 3.49Å; P81-V107 WeakPolarHBondContact O-CG1 3.17Å; P81-R109 PolarHBondContact O-NH1 3.25Å; P81-W114 HydrophobicContact CB-CB 4.06Å; P81-W114 HydrophobicContact CB-CD2 3.65Å; P81-W114 HydrophobicContact CB-CE3 4.25Å; P81-W114 HydrophobicContact CB-CG 3.55Å |
| 82 | H | 98.3 | Very high | 98.3 | Very high | 22 Ų | 22 | 11.1 Ų | 11.1 | 10% | 0.102 | 6% | 0.062 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.6 | 1 | 174.9 | -60.2 | -81.2 | 0 | 0 | 0 | 113.3 | F38 N40 A44 P49 C80 Q84 R109 | F38-H82 AromaticContact CE2-CE1 3.94Å; F38-H82 AromaticContact CE2-NE2 3.75Å; F38-H82 AromaticContact CZ-CE1 3.79Å; N40-H82 PolarHBondContact OD1-CE1 2.8Å; A44-H82 HydrophobicContact CB-CB 4.06Å; A44-H82 VanDerWaalsContact CB-CG 3.48Å; A44-H82 WeakPolarHBondContact CB-ND1 3.35Å; P49-H82 WeakPolarHBondContact CB-O 3.47Å; P49-H82 WeakPolarHBondContact CG-O 3.36Å; C80-H82 PolarHBondContact O-N 2.89Å; H82-Q84 PolarHBondContact O-OE1 3.04Å; H82-R109 PolarHBondContact ND1-NH1 3.3Å |
| 83 | G | 98.1 | Very high | 98.3 | Very high | 8 Ų | 8 | 10.8 Ų | 10.8 | 8% | 0.082 | 6% | 0.056 | C | C | . | . | S | Bend | trans | 95.7 | -6.4 | 172.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | G50 C80 F105 | G50-G83 WeakPolarHBondContact CA-O 3.42Å; G50-G83 PolarHBondContact N-O 3.39Å; C80-G83 PolarHBondContact O-N 3.08Å; G83-F105 WeakPolarHBondContact O-CD1 3.42Å |
| 84 | Q | 98.4 | Very high | 98.2 | Very high | 4 Ų | 4 | 16.1 Ų | 16.1 | 2% | 0.019 | 8% | 0.075 | C | C | . | . | trans | -71.6 | 151.6 | 169.2 | -59.7 | 78.5 | 4.2 | 0 | 0 | 109.8 | P45 G47 K51 F53 L56 C80 H82 F105 | P45-Q84 HydrophobicContact CB-CG 4.2Å; P45-Q84 HydrophobicContact CG-CG 4.32Å; G47-Q84 PolarHBondContact O-NE2 3.07Å; K51-Q84 WeakPolarHBondContact O-CA 3.45Å; F53-Q84 HydrophobicContact CB-CB 3.92Å; F53-Q84 HydrophobicContact CB-CG 4.17Å; L56-Q84 HydrophobicContact CD1-CB 3.99Å; L56-Q84 HydrophobicContact CD2-CB 4.46Å; C80-Q84 HydrophobicContact CB-CB 4.4Å; C80-Q84 WeakPolarHBondContact CB-O 3.48Å; C80-Q84 PolarHBondContact N-O 2.85Å; H82-Q84 PolarHBondContact O-OE1 3.04Å; Q84-F105 WeakPolarHBondContact O-CE1 3.26Å | ||
| 85 | H | 98.7 | Very high | 98.2 | Very high | 2 Ų | 2 | 24.8 Ų | 24.8 | 1% | 0.009 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 165.8 | 175.5 | 57.1 | -90.6 | 0 | 0 | 0 | 110.5 | G50 K51 P52 F53 E78 L79 L87 L103 F105 | G50-H85 PolarHBondContact O-CE1 3.49Å; K51-H85 PolarHBondContact O-N 3.33Å; P52-H85 CarbonylContact C-O 3.6Å; P52-H85 WeakPolarHBondContact CA-O 3.43Å; F53-H85 PolarHBondContact N-O 3.44Å; E78-H85 CarbonylContact O-C 3.51Å; E78-H85 WeakPolarHBondContact O-CA 3.22Å; L79-H85 HydrophobicContact CD2-CB 4.06Å; H85-L87 HydrophobicContact CB-CD1 4.31Å; H85-L103 HydrophobicContact CB-CD2 4.16Å; H85-F105 HydrophobicContact CB-CD1 4.16Å |
| 86 | L | 98.8 | Very high | 98.1 | Very high | 1 Ų | 1 | 28 Ų | 28 | 1% | 0.005 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 130.1 | 164.7 | -174.8 | 58.6 | 0 | 0 | 0 | 108.9 | L56 W57 E78 L88 K100 | L56-L86 HydrophobicContact CB-CB 4.32Å; L56-L86 HydrophobicContact CD2-CB 4.46Å; W57-L86 HydrophobicContact CE3-CD2 4.37Å; W57-L86 HydrophobicContact CZ3-CD2 3.81Å; E78-L86 HydrophobicContact CB-CB 4.03Å; E78-L86 HydrophobicContact CG-CB 4.36Å; E78-L86 PolarHBondContact N-O 3.06Å; E78-L86 PolarHBondContact O-N 3Å; E78-L86 WeakPolarHBondContact OE1-CD2 3.39Å; L86-L88 HydrophobicContact CD1-CD2 3.92Å; L86-L88 HydrophobicContact CD2-CD1 4.36Å; L86-L88 HydrophobicContact CD2-CD2 4.09Å; L86-L88 HydrophobicContact CD2-CG 4.35Å; L86-L88 HydrophobicContact CG-CD2 3.82Å; L86-L88 HydrophobicContact CG-CG 4.07Å; L86-K100 HydrophobicContact CD1-CG 3.98Å |
| 87 | L | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 123.5 | 178 | -87.2 | 78 | 0 | 0 | 0 | 108.1 | L75 E76 V77 H85 E99 K100 L101 L103 L120 Y124 | L75-L87 HydrophobicContact CD1-CD2 4.38Å; E76-L87 WeakPolarHBondContact O-CA 3.18Å; V77-L87 HydrophobicContact CG1-CD1 4.24Å; V77-L87 HydrophobicContact CG1-CG 4.43Å; V77-L87 HydrophobicContact CG2-CG 4.39Å; H85-L87 HydrophobicContact CB-CD1 4.31Å; L87-E99 CarbonylContact O-C 3.59Å; L87-E99 WeakPolarHBondContact O-CA 3.27Å; L87-K100 PolarHBondContact O-N 2.49Å; L87-L101 HydrophobicContact CB-CB 3.79Å; L87-L101 HydrophobicContact CB-CD1 4.35Å; L87-L101 HydrophobicContact CB-CG 4.39Å; L87-L101 HydrophobicContact CD2-CB 4.46Å; L87-L103 HydrophobicContact CD1-CB 3.9Å; L87-L103 HydrophobicContact CD1-CD2 3.47Å; L87-L103 VanDerWaalsContact CD1-CD2 3.47Å; L87-L103 HydrophobicContact CD1-CG 4.2Å; L87-L103 HydrophobicContact CD2-CB 4.38Å; L87-L103 HydrophobicContact CD2-CD1 4.34Å; L87-L103 HydrophobicContact CD2-CD2 4.48Å; L87-L120 HydrophobicContact CD2-CD2 4.49Å; L87-Y124 HydrophobicContact CD2-CD2 3.77Å; L87-Y124 HydrophobicContact CD2-CE2 4.04Å |
| 88 | L | 98.6 | Very high | 97.8 | Very high | 8 Ų | 8 | 35.8 Ų | 35.8 | 4% | 0.042 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 137.4 | -177.2 | -52 | 178.7 | 0 | 0 | 0 | 109.5 | L75 E76 L86 L90 V96 K98 E99 | L75-L88 WeakPolarHBondContact CA-O 3.18Å; E76-L88 HydrophobicContact CB-CB 4.19Å; E76-L88 HydrophobicContact CG-CD1 4.37Å; E76-L88 PolarHBondContact N-O 3.12Å; E76-L88 PolarHBondContact O-N 3.14Å; L86-L88 HydrophobicContact CD1-CD2 3.92Å; L86-L88 HydrophobicContact CD2-CD1 4.36Å; L86-L88 HydrophobicContact CD2-CD2 4.09Å; L86-L88 HydrophobicContact CD2-CG 4.35Å; L86-L88 HydrophobicContact CG-CD2 3.82Å; L86-L88 HydrophobicContact CG-CG 4.07Å; L88-L90 HydrophobicContact CB-CD1 3.51Å; L88-L90 HydrophobicContact CB-CG 4.47Å; L88-V96 HydrophobicContact CD1-CG2 4.35Å; L88-V96 HydrophobicContact CD2-CG1 4.35Å; L88-K98 WeakPolarHBondContact CA-O 3.44Å; L88-E99 HydrophobicContact CD2-CB 3.3Å |
| 89 | L | 98.4 | Very high | 97.8 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 122.2 | 167.3 | -52.3 | -173.3 | 0 | 0 | 0 | 108.1 | L75 W97 K98 L101 Y124 I191 W192 | L75-L89 HydrophobicContact CB-CD2 4.36Å; L75-L89 HydrophobicContact CD1-CD2 3.68Å; L89-W97 HydrophobicContact CB-CD2 4.42Å; L89-W97 HydrophobicContact CB-CZ2 3.69Å; L89-W97 HydrophobicContact CD1-CH2 3.77Å; L89-W97 HydrophobicContact CD1-CZ2 3.43Å; L89-W97 VanDerWaalsContact CD1-CZ2 3.43Å; L89-W97 HydrophobicContact CG-CZ2 4.22Å; L89-W97 PolarHBondContact O-N 3.42Å; L89-W97 PolarHBondContact O-NE1 2.85Å; L89-K98 HydrophobicContact CB-CB 4.1Å; L89-K98 HydrophobicContact CD1-CB 4.14Å; L89-K98 HydrophobicContact CD1-CD 4.33Å; L89-K98 HydrophobicContact CG-CB 4.2Å; L89-K98 PolarHBondContact N-O 3.4Å; L89-K98 PolarHBondContact O-N 2.79Å; L89-L101 HydrophobicContact CD1-CD1 3.87Å; L89-L101 HydrophobicContact CD2-CD1 3.63Å; L89-L101 HydrophobicContact CG-CD1 3.6Å; L89-Y124 WeakPolarHBondContact CD2-O 3.5Å; L89-I191 HydrophobicContact CD1-CD1 3.82Å; L89-I191 HydrophobicContact CD1-CG1 4.09Å; L89-I191 HydrophobicContact CD1-CG2 3.58Å; L89-W192 HydrophobicContact CB-CH2 3.65Å; L89-W192 HydrophobicContact CB-CZ2 3.65Å; L89-W192 HydrophobicContact CB-CZ3 4.45Å; L89-W192 HydrophobicContact CD1-CZ2 4.15Å; L89-W192 HydrophobicContact CD2-CZ2 3.68Å; L89-W192 HydrophobicContact CG-CH2 4.5Å; L89-W192 HydrophobicContact CG-CZ2 4.01Å |
| 90 | L | 98.2 | Very high | 97.7 | Very high | 1 Ų | 1 | 44.9 Ų | 44.9 | 1% | 0.005 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 138.5 | -175.9 | -60.3 | 93 | 0 | 0 | 0 | 110.6 | Q73 Y74 E76 L88 R95 V96 W192 | Q73-L90 CarbonylContact C-O 3.57Å; Q73-L90 VanDerWaalsContact CA-O 3.24Å; Q73-L90 WeakPolarHBondContact CA-O 3.33Å; Y74-L90 HydrophobicContact CD1-CB 3.97Å; Y74-L90 HydrophobicContact CD2-CB 3.95Å; Y74-L90 HydrophobicContact CD2-CD1 3.79Å; Y74-L90 HydrophobicContact CD2-CG 4.29Å; Y74-L90 HydrophobicContact CE1-CB 3.58Å; Y74-L90 HydrophobicContact CE2-CB 3.59Å; Y74-L90 HydrophobicContact CE2-CD1 3.53Å; Y74-L90 HydrophobicContact CE2-CD2 3.57Å; Y74-L90 HydrophobicContact CE2-CG 3.72Å; Y74-L90 HydrophobicContact CG-CB 4.13Å; Y74-L90 PolarHBondContact N-O 3.16Å; Y74-L90 PolarHBondContact O-N 2.93Å; Y74-L90 WeakPolarHBondContact OH-CD2 3.45Å; E76-L90 HydrophobicContact CB-CD1 3.87Å; E76-L90 WeakPolarHBondContact OE2-CD1 3.46Å; L88-L90 HydrophobicContact CB-CD1 3.51Å; L88-L90 HydrophobicContact CB-CG 4.47Å; L90-R95 CarbonylContact C-O 3.56Å; L90-R95 VanDerWaalsContact CA-O 3.24Å; L90-R95 WeakPolarHBondContact CA-O 3.46Å; L90-V96 HydrophobicContact CD2-CG2 3.62Å; L90-V96 HydrophobicContact CG-CG2 3.89Å; L90-W192 VanDerWaalsContact O-CH2 3.28Å; L90-W192 WeakPolarHBondContact O-CH2 3.33Å |
| 91 | S | 96.9 | Very high | 97.6 | Very high | 37 Ų | 37 | 45.2 Ų | 45.2 | 26% | 0.259 | 20% | 0.201 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 90 | 177.5 | -168.7 | 0 | 0 | 0 | 0 | 109.6 | R95 | S91-R95 PolarHBondContact N-O 3.31Å; S91-R95 VanDerWaalsContact O-CB 3.23Å; S91-R95 WeakPolarHBondContact O-CB 3.37Å; S91-R95 WeakPolarHBondContact O-CD 3.48Å |
| 92 | G | 96.7 | Very high | 97.5 | Very high | 12 Ų | 12 | 49.6 Ų | 49.6 | 12% | 0.124 | 23% | 0.23 | C | C | . | . | S | Bend | trans | 89.4 | 159.1 | -164.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | E72 R94 R95 | E72-G92 WeakPolarHBondContact O-CA 3.36Å; E72-G92 PolarHBondContact O-N 3.37Å; G92-R94 PolarHBondContact O-N 2.91Å; G92-R95 PolarHBondContact O-N 2.95Å |
| 93 | R | 97.2 | Very high | 97.4 | Very high | 102 Ų | 102 | 49.4 Ų | 49.4 | 39% | 0.385 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.3 | 120.5 | -174.8 | -173.9 | 175.8 | 178.9 | -173.6 | -1.2 | 112.1 | R95 D164 H166 L168 | R93-R95 PolarHBondContact O-N 3.48Å; R93-D164 IonicContact CZ-OD2 3.78Å; R93-D164 IonicContact NH2-OD1 3.87Å; R93-D164 IonicContact NH2-OD2 2.65Å; R93-D164 PolarHBondContact NH2-OD2 2.9Å; R93-H166 WeakPolarHBondContact CD-O 3.44Å; R93-H166 HydrophobicContact CG-CB 4.01Å; R93-H166 PolarHBondContact NE-O 2.88Å; R93-L168 HydrophobicContact CB-CD1 4.41Å |
| 94 | R | 96.4 | Very high | 97.2 | Very high | 136 Ų | 136 | 56.5 Ų | 56.5 | 51% | 0.513 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.9 | 19.5 | -179.4 | -64.1 | -178.5 | 172.2 | 118.9 | -4.5 | 115.1 | Y74 G92 V96 D164 H166 | Y74-R94 PolarHBondContact OH-N 2.84Å; G92-R94 PolarHBondContact O-N 2.91Å; R94-V96 PolarHBondContact O-N 3.03Å; R94-D164 IonicContact CZ-OD1 3.36Å; R94-D164 IonicContact CZ-OD2 3.27Å; R94-D164 IonicContact NH1-OD2 3.21Å; R94-D164 PolarHBondContact NH1-OD2 3.3Å; R94-D164 IonicContact NH2-OD1 2.77Å; R94-D164 PolarHBondContact NH2-OD1 3.17Å; R94-D164 IonicContact NH2-OD2 2.87Å; R94-D164 PolarHBondContact NH2-OD2 2.85Å; R94-H166 HydrophobicContact CG-CB 4.07Å |
| 95 | R | 97.3 | Very high | 97.1 | Very high | 182 Ų | 182 | 57.4 Ų | 57.4 | 69% | 0.687 | 26% | 0.264 | S | S | * | . | trans | -99.1 | 77.8 | 178.1 | -68.4 | -173.6 | 179.6 | -153.1 | 1.4 | 110.4 | L90 S91 G92 R93 W97 | L90-R95 CarbonylContact C-O 3.56Å; L90-R95 VanDerWaalsContact CA-O 3.24Å; L90-R95 WeakPolarHBondContact CA-O 3.46Å; S91-R95 PolarHBondContact N-O 3.31Å; S91-R95 VanDerWaalsContact O-CB 3.23Å; S91-R95 WeakPolarHBondContact O-CB 3.37Å; S91-R95 WeakPolarHBondContact O-CD 3.48Å; G92-R95 PolarHBondContact O-N 2.95Å; R93-R95 PolarHBondContact O-N 3.48Å; R95-W97 PolarHBondContact O-N 2.87Å | ||
| 96 | V | 97.2 | Very high | 97.1 | Very high | 68 Ų | 68 | 63.6 Ų | 63.6 | 41% | 0.412 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.4 | 126 | 172.9 | -177.7 | 0 | 0 | 0 | 0 | 109 | L88 L90 R94 E99 | L88-V96 HydrophobicContact CD1-CG2 4.35Å; L88-V96 HydrophobicContact CD2-CG1 4.35Å; L90-V96 HydrophobicContact CD2-CG2 3.62Å; L90-V96 HydrophobicContact CG-CG2 3.89Å; R94-V96 PolarHBondContact O-N 3.03Å; V96-E99 HydrophobicContact CG1-CB 4.1Å |
| 97 | W | 94.9 | Very high | 97.1 | Very high | 82 Ų | 82 | 65.6 Ų | 65.6 | 31% | 0.311 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | -12.9 | 172.6 | 68.9 | -87.2 | 0 | 0 | 0 | 112.1 | L89 R95 I191 W192 V195 | L89-W97 HydrophobicContact CB-CD2 4.42Å; L89-W97 HydrophobicContact CB-CZ2 3.69Å; L89-W97 HydrophobicContact CD1-CH2 3.77Å; L89-W97 HydrophobicContact CD1-CZ2 3.43Å; L89-W97 VanDerWaalsContact CD1-CZ2 3.43Å; L89-W97 HydrophobicContact CG-CZ2 4.22Å; L89-W97 PolarHBondContact O-N 3.42Å; L89-W97 PolarHBondContact O-NE1 2.85Å; R95-W97 PolarHBondContact O-N 2.87Å; W97-I191 HydrophobicContact CH2-CB 4.44Å; W97-I191 HydrophobicContact CH2-CG1 3.99Å; W97-I191 HydrophobicContact CH2-CG2 4.13Å; W97-I191 WeakPolarHBondContact CH2-O 3.43Å; W97-I191 HydrophobicContact CZ2-CG2 4.38Å; W97-W192 AromaticContact CE2-CE3 3.88Å; W97-W192 AromaticContact CE2-CZ3 3.61Å; W97-W192 AromaticContact CZ2-CD2 3.8Å; W97-W192 HydrophobicContact CZ2-CD2 3.8Å; W97-W192 AromaticContact CZ2-CE3 3.51Å; W97-W192 HydrophobicContact CZ2-CE3 3.51Å; W97-W192 HydrophobicContact CZ2-CH2 4.12Å; W97-W192 HydrophobicContact CZ2-CZ2 4.36Å; W97-W192 AromaticContact CZ2-CZ3 3.69Å; W97-W192 HydrophobicContact CZ2-CZ3 3.69Å; W97-W192 AromaticContact NE1-CE3 3.72Å; W97-W192 AromaticContact NE1-CH2 3.37Å; W97-W192 AromaticContact NE1-CZ3 2.99Å; W97-V195 HydrophobicContact CD2-CG2 3.72Å; W97-V195 HydrophobicContact CE3-CG2 3.92Å; W97-V195 HydrophobicContact CG-CG2 4.48Å; W97-V195 HydrophobicContact CH2-CG2 3.56Å; W97-V195 HydrophobicContact CZ2-CG2 3.34Å; W97-V195 HydrophobicContact CZ3-CG2 3.85Å |
| 98 | K | 96.9 | Very high | 97.1 | Very high | 87 Ų | 87 | 69.6 Ų | 69.6 | 38% | 0.378 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 140.2 | 168.8 | -155.2 | 166 | 179.2 | -178.1 | 0 | 110.7 | L88 L89 L101 I191 | L88-K98 WeakPolarHBondContact CA-O 3.44Å; L89-K98 HydrophobicContact CB-CB 4.1Å; L89-K98 HydrophobicContact CD1-CB 4.14Å; L89-K98 HydrophobicContact CD1-CD 4.33Å; L89-K98 HydrophobicContact CG-CB 4.2Å; L89-K98 PolarHBondContact N-O 3.4Å; L89-K98 PolarHBondContact O-N 2.79Å; K98-L101 HydrophobicContact CD-CD2 3.75Å; K98-L101 HydrophobicContact CG-CD2 3.86Å; K98-I191 HydrophobicContact CD-CD1 3.93Å; K98-I191 HydrophobicContact CD-CG1 4.18Å; K98-I191 VanDerWaalsContact NZ-CD1 3.33Å |
| 99 | E | 97.4 | Very high | 97 | Very high | 96 Ų | 96 | 75.1 Ų | 75.1 | 45% | 0.449 | 35% | 0.35 | S | S | . | . | trans | -139.2 | 170.9 | -179.9 | 61.3 | 166.4 | -175.3 | 0 | 0 | 111.5 | L87 L88 V96 L101 | L87-E99 CarbonylContact O-C 3.59Å; L87-E99 WeakPolarHBondContact O-CA 3.27Å; L88-E99 HydrophobicContact CD2-CB 3.3Å; V96-E99 HydrophobicContact CG1-CB 4.1Å; E99-L101 PolarHBondContact O-N 3.05Å | ||
| 100 | K | 97.5 | Very high | 96.9 | Very high | 95 Ų | 95 | 79 Ų | 79 | 41% | 0.413 | 37% | 0.369 | S | S | . | . | trans | 56 | 37 | 176.6 | -58.4 | 179.5 | -178.7 | 171.4 | 0 | 112.9 | P52 S54 L86 L87 | P52-K100 HydrophobicContact CB-CB 3.71Å; P52-K100 HydrophobicContact CB-CG 4.05Å; P52-K100 HydrophobicContact CG-CB 3.91Å; P52-K100 HydrophobicContact CG-CG 4.49Å; S54-K100 WeakPolarHBondContact OG-CE 3.35Å; S54-K100 PolarHBondContact OG-NZ 3.09Å; S54-K100 VanDerWaalsContact OG-NZ 3.14Å; L86-K100 HydrophobicContact CD1-CG 3.98Å; L87-K100 PolarHBondContact O-N 2.49Å | ||
| 101 | L | 97.4 | Very high | 96.8 | Very high | 6 Ų | 6 | 87.6 Ų | 87.6 | 3% | 0.031 | 41% | 0.409 | C | S | . | . | trans | -62.6 | 139.2 | 175.8 | -62.4 | 175.8 | 0 | 0 | 0 | 110.2 | L87 L89 K98 E99 Y124 I191 | L87-L101 HydrophobicContact CB-CB 3.79Å; L87-L101 HydrophobicContact CB-CD1 4.35Å; L87-L101 HydrophobicContact CB-CG 4.39Å; L87-L101 HydrophobicContact CD2-CB 4.46Å; L89-L101 HydrophobicContact CD1-CD1 3.87Å; L89-L101 HydrophobicContact CD2-CD1 3.63Å; L89-L101 HydrophobicContact CG-CD1 3.6Å; K98-L101 HydrophobicContact CD-CD2 3.75Å; K98-L101 HydrophobicContact CG-CD2 3.86Å; E99-L101 PolarHBondContact O-N 3.05Å; L101-Y124 HydrophobicContact CB-CD2 4.42Å; L101-Y124 HydrophobicContact CB-CE2 3.86Å; L101-Y124 HydrophobicContact CD1-CD1 3.93Å; L101-Y124 HydrophobicContact CD1-CD2 3.91Å; L101-Y124 HydrophobicContact CD1-CE1 4.11Å; L101-Y124 HydrophobicContact CD1-CE2 4.08Å; L101-Y124 HydrophobicContact CD1-CG 3.86Å; L101-Y124 HydrophobicContact CD2-CE1 4.48Å; L101-I191 HydrophobicContact CD2-CD1 4.23Å | ||
| 102 | P | 95.8 | Very high | 96.8 | Very high | 93 Ų | 93 | 90.8 Ų | 90.8 | 60% | 0.604 | 43% | 0.427 | S | S | * | . | trans | -59.5 | 140.4 | 175.5 | -22.6 | 32.8 | 0 | 0 | 0 | 112 | Y124 | P102-Y124 WeakPolarHBondContact O-CE2 3.48Å; P102-Y124 PolarHBondContact O-OH 2.82Å | ||
| 103 | L | 96.6 | Very high | 96.9 | Very high | 18 Ų | 18 | 92.9 Ų | 92.9 | 9% | 0.094 | 43% | 0.433 | C | S | . | . | trans | -142.4 | 135.4 | 175.4 | 179.6 | 67.2 | 0 | 0 | 0 | 110.8 | L79 H85 L87 F105 A118 V119 L120 | L79-L103 HydrophobicContact CD2-CD2 3.74Å; H85-L103 HydrophobicContact CB-CD2 4.16Å; L87-L103 HydrophobicContact CD1-CB 3.9Å; L87-L103 HydrophobicContact CD1-CD2 3.47Å; L87-L103 VanDerWaalsContact CD1-CD2 3.47Å; L87-L103 HydrophobicContact CD1-CG 4.2Å; L87-L103 HydrophobicContact CD2-CB 4.38Å; L87-L103 HydrophobicContact CD2-CD1 4.34Å; L87-L103 HydrophobicContact CD2-CD2 4.48Å; L103-F105 HydrophobicContact CD2-CB 4.07Å; L103-F105 HydrophobicContact CG-CB 4.2Å; L103-F105 PolarHBondContact O-N 2.91Å; L103-A118 HydrophobicContact CD1-CB 4.21Å; L103-A118 HydrophobicContact CD2-CB 3.84Å; L103-A118 HydrophobicContact CG-CB 4.32Å; L103-V119 VanDerWaalsContact CD1-O 3.28Å; L103-V119 WeakPolarHBondContact CD1-O 3.13Å; L103-L120 HydrophobicContact CD1-CD2 3.88Å; L103-L120 HydrophobicContact CD2-CD2 4.46Å | ||
| 104 | E | 93.4 | Very high | 97 | Very high | 156 Ų | 156 | 88 Ų | 88 | 73% | 0.729 | 42% | 0.415 | S | S | * | . | trans | -78.1 | 105.6 | 163.6 | -68.2 | 179.6 | -173.3 | 0 | 0 | 108.2 | A118 V119 | E104-A118 WeakPolarHBondContact O-CA 3.26Å; E104-V119 PolarHBondContact O-N 3.18Å | ||
| 105 | F | 97 | Very high | 97.1 | Very high | 23 Ų | 23 | 85.3 Ų | 85.3 | 10% | 0.101 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 117.9 | -177.3 | 176.9 | -140 | 0 | 0 | 0 | 110.4 | L79 C80 G83 Q84 H85 L103 V107 W114 K117 A118 | L79-F105 HydrophobicContact CB-CE1 4.17Å; L79-F105 HydrophobicContact CB-CE2 4.08Å; L79-F105 HydrophobicContact CB-CZ 3.67Å; L79-F105 HydrophobicContact CD1-CD2 4.42Å; L79-F105 HydrophobicContact CD1-CE2 3.99Å; L79-F105 HydrophobicContact CD1-CZ 4.44Å; L79-F105 HydrophobicContact CD2-CD1 4.11Å; L79-F105 HydrophobicContact CD2-CD2 3.93Å; L79-F105 HydrophobicContact CD2-CE1 4.12Å; L79-F105 HydrophobicContact CD2-CE2 3.95Å; L79-F105 HydrophobicContact CD2-CG 4.02Å; L79-F105 HydrophobicContact CD2-CZ 4.04Å; L79-F105 HydrophobicContact CG-CE2 4.23Å; L79-F105 HydrophobicContact CG-CZ 4.25Å; C80-F105 WeakPolarHBondContact O-CE1 3.33Å; G83-F105 WeakPolarHBondContact O-CD1 3.42Å; Q84-F105 WeakPolarHBondContact O-CE1 3.26Å; H85-F105 HydrophobicContact CB-CD1 4.16Å; L103-F105 HydrophobicContact CD2-CB 4.07Å; L103-F105 HydrophobicContact CG-CB 4.2Å; L103-F105 PolarHBondContact O-N 2.91Å; F105-V107 HydrophobicContact CD1-CG2 4.08Å; F105-V107 HydrophobicContact CD2-CG2 4.22Å; F105-V107 HydrophobicContact CE1-CG2 3.4Å; F105-V107 HydrophobicContact CE2-CG2 3.55Å; F105-V107 HydrophobicContact CG-CG2 4.46Å; F105-V107 HydrophobicContact CZ-CG2 3.08Å; F105-W114 HydrophobicContact CZ-CZ3 4.17Å; F105-K117 WeakPolarHBondContact CA-O 3.12Å; F105-A118 HydrophobicContact CD2-CB 4.19Å |
| 106 | E | 97.6 | Very high | 97.2 | Very high | 133 Ų | 133 | 76.9 Ų | 76.9 | 62% | 0.621 | 38% | 0.377 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 139 | 175.9 | -63.1 | 177.3 | 165.1 | 0 | 0 | 109.7 | G116 K117 | E106-G116 CarbonylContact O-C 3.54Å; E106-G116 WeakPolarHBondContact O-CA 3.18Å; E106-K117 HydrophobicContact CB-CB 4.44Å; E106-K117 PolarHBondContact N-O 3.32Å; E106-K117 PolarHBondContact O-N 2.81Å |
| 107 | V | 98.4 | Very high | 97.2 | Very high | 43 Ų | 43 | 78 Ų | 78 | 26% | 0.261 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 130.6 | 176.7 | -179.8 | 0 | 0 | 0 | 0 | 110.3 | P81 F105 W114 E115 | P81-V107 WeakPolarHBondContact O-CG1 3.17Å; F105-V107 HydrophobicContact CD1-CG2 4.08Å; F105-V107 HydrophobicContact CD2-CG2 4.22Å; F105-V107 HydrophobicContact CE1-CG2 3.4Å; F105-V107 HydrophobicContact CE2-CG2 3.55Å; F105-V107 HydrophobicContact CG-CG2 4.46Å; F105-V107 HydrophobicContact CZ-CG2 3.08Å; V107-W114 HydrophobicContact CG1-CE3 4.25Å; V107-E115 CarbonylContact C-O 3.52Å; V107-E115 WeakPolarHBondContact CA-O 3.46Å |
| 108 | T | 98.4 | Very high | 97.3 | Very high | 83 Ų | 83 | 74.1 Ų | 74.1 | 51% | 0.509 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 121.2 | 165.5 | -60.1 | 0 | 0 | 0 | 0 | 108.1 | M110 W114 E115 | T108-M110 HydrophobicContact CG2-CE 3.88Å; T108-W114 CarbonylContact O-C 3.57Å; T108-W114 WeakPolarHBondContact O-CA 3.37Å; T108-E115 PolarHBondContact N-O 3.09Å; T108-E115 PolarHBondContact O-N 3.34Å |
| 109 | R | 97.5 | Very high | 97.3 | Very high | 124 Ų | 124 | 72.3 Ų | 72.3 | 47% | 0.468 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 129.8 | -179.6 | -170.3 | 168.2 | 72 | -126.2 | -4.4 | 110.5 | F38 P81 H82 W114 | F38-R109 HydrophobicContact CD1-CG 3.89Å; F38-R109 HydrophobicContact CD2-CG 4.41Å; F38-R109 VanDerWaalsContact CE1-CD 3.47Å; F38-R109 HydrophobicContact CE1-CG 4.06Å; F38-R109 HydrophobicContact CG-CG 4.08Å; F38-R109 HydrophobicContact CZ-CG 4.39Å; P81-R109 PolarHBondContact O-NH1 3.25Å; H82-R109 PolarHBondContact ND1-NH1 3.3Å; R109-W114 HydrophobicContact CB-CB 4.43Å; R109-W114 HydrophobicContact CG-CB 4.23Å |
| 110 | M | 97.1 | Very high | 97.3 | Very high | 81 Ų | 81 | 67.7 Ų | 67.7 | 40% | 0.399 | 34% | 0.337 | S | S | . | . | trans | -105.7 | -174.5 | 171.5 | -53.4 | 93.1 | 173.6 | 0 | 0 | 109.8 | T108 K113 E115 | T108-M110 HydrophobicContact CG2-CE 3.88Å; M110-K113 CarbonylContact C-O 3.6Å; M110-K113 WeakPolarHBondContact CA-O 3.46Å; M110-K113 WeakPolarHBondContact CB-O 2.89Å; M110-K113 PolarHBondContact N-O 2.89Å; M110-K113 HydrophobicContact SD-CB 4.2Å; M110-E115 HydrophobicContact CE-CG 4.24Å | ||
| 111 | E | 95.6 | Very high | 97.2 | Very high | 182 Ų | 182 | 65 Ų | 65 | 85% | 0.85 | 33% | 0.329 | S | S | * | . | S | Bend | trans | -64.3 | -44.2 | -179.1 | -173.4 | 174.3 | -175.6 | 0 | 0 | 112.9 | ||
| 112 | T | 97 | Very high | 97.1 | Very high | 104 Ų | 104 | 65.7 Ų | 65.7 | 64% | 0.638 | 33% | 0.331 | S | S | * | . | S | Bend | trans | -119.5 | 0.3 | -174.2 | 58.1 | 0 | 0 | 0 | 0 | 113.7 | P37 F38 | P37-T112 WeakPolarHBondContact CA-O 3.31Å; F38-T112 PolarHBondContact N-O 2.94Å |
| 113 | K | 98.4 | Very high | 97 | Very high | 56 Ų | 56 | 64.2 Ų | 64.2 | 24% | 0.243 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 152.5 | -172 | -166.4 | -168.9 | 177.5 | -165.6 | 0 | 110 | S35 A36 M110 E115 | S35-K113 WeakPolarHBondContact OG-CE 3.18Å; S35-K113 PolarHBondContact OG-NZ 2.69Å; A36-K113 CarbonylContact O-C 3.56Å; A36-K113 WeakPolarHBondContact O-CA 2.92Å; A36-K113 WeakPolarHBondContact O-CG 3.47Å; M110-K113 CarbonylContact C-O 3.6Å; M110-K113 WeakPolarHBondContact CA-O 3.46Å; M110-K113 WeakPolarHBondContact CB-O 2.89Å; M110-K113 PolarHBondContact N-O 2.89Å; M110-K113 HydrophobicContact SD-CB 4.2Å; K113-E115 IonicContact NZ-OE1 2.77Å; K113-E115 PolarHBondContact NZ-OE1 2.8Å |
| 114 | W | 98.8 | Very high | 97.1 | Very high | 1 Ų | 1 | 64.9 Ų | 64.9 | 0% | 0.004 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 155.9 | 163.2 | 68.7 | -81.8 | 0 | 0 | 0 | 111.4 | V34 A36 P37 F38 V62 L79 P81 F105 V107 T108 R109 | V34-W114 HydrophobicContact CB-CH2 4.09Å; V34-W114 HydrophobicContact CB-CZ3 4.14Å; V34-W114 HydrophobicContact CG1-CH2 3.59Å; V34-W114 HydrophobicContact CG1-CZ2 3.85Å; V34-W114 HydrophobicContact CG1-CZ3 4.01Å; A36-W114 HydrophobicContact CB-CD2 4.5Å; A36-W114 HydrophobicContact CB-CZ2 4.17Å; A36-W114 PolarHBondContact N-O 3.29Å; A36-W114 PolarHBondContact O-N 3.41Å; P37-W114 PolarHBondContact O-NE1 3.38Å; F38-W114 HydrophobicContact CB-CB 4.48Å; V62-W114 HydrophobicContact CB-CH2 4.28Å; V62-W114 HydrophobicContact CB-CZ2 4.19Å; V62-W114 HydrophobicContact CG2-CH2 4.26Å; V62-W114 HydrophobicContact CG2-CZ2 3.7Å; L79-W114 HydrophobicContact CB-CH2 4.31Å; P81-W114 HydrophobicContact CB-CB 4.06Å; P81-W114 HydrophobicContact CB-CD2 3.65Å; P81-W114 HydrophobicContact CB-CE3 4.25Å; P81-W114 HydrophobicContact CB-CG 3.55Å; F105-W114 HydrophobicContact CZ-CZ3 4.17Å; V107-W114 HydrophobicContact CG1-CE3 4.25Å; T108-W114 CarbonylContact O-C 3.57Å; T108-W114 WeakPolarHBondContact O-CA 3.37Å; R109-W114 HydrophobicContact CB-CB 4.43Å; R109-W114 HydrophobicContact CG-CB 4.23Å |
| 115 | E | 98.8 | Very high | 97.2 | Very high | 79 Ų | 79 | 57.5 Ų | 57.5 | 37% | 0.369 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 133.8 | 176.2 | -63.9 | -177.6 | 171.1 | 0 | 0 | 108.8 | V34 V107 T108 M110 K113 | V34-E115 CarbonylContact O-C 3.48Å; V34-E115 WeakPolarHBondContact O-CA 3.45Å; V107-E115 CarbonylContact C-O 3.52Å; V107-E115 WeakPolarHBondContact CA-O 3.46Å; T108-E115 PolarHBondContact N-O 3.09Å; T108-E115 PolarHBondContact O-N 3.34Å; M110-E115 HydrophobicContact CE-CG 4.24Å; K113-E115 IonicContact NZ-OE1 2.77Å; K113-E115 PolarHBondContact NZ-OE1 2.8Å |
| 116 | G | 98.6 | Very high | 97.2 | Very high | 4 Ų | 4 | 56.4 Ų | 56.4 | 4% | 0.041 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 141.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | E33 V34 E106 | E33-G116 CarbonylContact C-O 3.59Å; E33-G116 VanDerWaalsContact CA-O 3.27Å; E33-G116 WeakPolarHBondContact CA-O 3.41Å; V34-G116 PolarHBondContact N-O 3.34Å; V34-G116 PolarHBondContact O-N 2.87Å; E106-G116 CarbonylContact O-C 3.54Å; E106-G116 WeakPolarHBondContact O-CA 3.18Å |
| 117 | K | 98.1 | Very high | 97 | Very high | 93 Ų | 93 | 52.7 Ų | 52.7 | 40% | 0.404 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 120 | 177 | -169.9 | -177.3 | 177.7 | -173 | 0 | 110.3 | L31 E33 F105 E106 | L31-K117 HydrophobicContact CD1-CD 4.21Å; L31-K117 HydrophobicContact CD1-CG 3.59Å; E33-K117 HydrophobicContact CG-CG 4.2Å; F105-K117 WeakPolarHBondContact CA-O 3.12Å; E106-K117 HydrophobicContact CB-CB 4.44Å; E106-K117 PolarHBondContact N-O 3.32Å; E106-K117 PolarHBondContact O-N 2.81Å |
| 118 | A | 97.4 | Very high | 96.8 | Very high | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 131 | -176.8 | 0 | 0 | 0 | 0 | 0 | 111 | M32 L79 L103 E104 F105 L120 | M32-A118 PolarHBondContact N-O 3.39Å; M32-A118 PolarHBondContact O-N 3.4Å; L79-A118 HydrophobicContact CD1-CB 4.1Å; L79-A118 HydrophobicContact CD2-CB 4.31Å; L103-A118 HydrophobicContact CD1-CB 4.21Å; L103-A118 HydrophobicContact CD2-CB 3.84Å; L103-A118 HydrophobicContact CG-CB 4.32Å; E104-A118 WeakPolarHBondContact O-CA 3.26Å; F105-A118 HydrophobicContact CD2-CB 4.19Å; A118-L120 HydrophobicContact CB-CD2 4.33Å |
| 119 | V | 96.1 | Very high | 96.7 | Very high | 48 Ų | 48 | 50.6 Ų | 50.6 | 29% | 0.291 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 105.4 | 171.2 | -178.5 | 0 | 0 | 0 | 0 | 108.6 | L31 L103 E104 P121 | L31-V119 HydrophobicContact CD1-CG2 4.17Å; L103-V119 VanDerWaalsContact CD1-O 3.28Å; L103-V119 WeakPolarHBondContact CD1-O 3.13Å; E104-V119 PolarHBondContact O-N 3.18Å; V119-P121 VanDerWaalsContact O-CD 3.26Å; V119-P121 WeakPolarHBondContact O-CD 3.47Å |
| 120 | L | 97.3 | Very high | 96.7 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 111.7 | -179.6 | -53.7 | 179.7 | 0 | 0 | 0 | 109.9 | G29 L30 M32 F66 V77 L87 L103 A118 W122 F125 | G29-L120 CarbonylContact C-O 3.48Å; G29-L120 WeakPolarHBondContact CA-O 3.42Å; L30-L120 HydrophobicContact CB-CB 4.42Å; L30-L120 PolarHBondContact N-O 3.16Å; L30-L120 WeakPolarHBondContact O-CB 3.26Å; L30-L120 PolarHBondContact O-N 3.05Å; M32-L120 HydrophobicContact CB-CD1 3.98Å; M32-L120 HydrophobicContact CB-CG 4.25Å; M32-L120 HydrophobicContact SD-CD1 4.11Å; F66-L120 HydrophobicContact CE2-CD1 3.6Å; F66-L120 HydrophobicContact CZ-CD1 3.92Å; V77-L120 HydrophobicContact CG1-CD2 3.85Å; V77-L120 HydrophobicContact CG2-CD1 4.04Å; V77-L120 HydrophobicContact CG2-CD2 3.93Å; L87-L120 HydrophobicContact CD2-CD2 4.49Å; L103-L120 HydrophobicContact CD1-CD2 3.88Å; L103-L120 HydrophobicContact CD2-CD2 4.46Å; A118-L120 HydrophobicContact CB-CD2 4.33Å; L120-W122 PolarHBondContact O-N 3.26Å; L120-F125 HydrophobicContact CB-CE2 3.66Å; L120-F125 HydrophobicContact CB-CZ 3.82Å; L120-F125 HydrophobicContact CD1-CZ 3.95Å |
| 121 | P | 96.4 | Very high | 96.8 | Very high | 39 Ų | 39 | 44.5 Ų | 44.5 | 25% | 0.253 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.6 | 136.8 | -178.9 | -22.8 | 34.9 | 0 | 0 | 0 | 111.8 | V119 N123 Y124 F125 | V119-P121 VanDerWaalsContact O-CD 3.26Å; V119-P121 WeakPolarHBondContact O-CD 3.47Å; P121-N123 PolarHBondContact O-N 2.7Å; P121-N123 VanDerWaalsContact O-N 3.08Å; P121-Y124 HydrophobicContact CB-CD2 4.27Å; P121-Y124 HydrophobicContact CB-CE2 4.34Å; P121-Y124 HydrophobicContact CB-CG 4.35Å; P121-Y124 HydrophobicContact CG-CD2 3.92Å; P121-Y124 HydrophobicContact CG-CE2 3.66Å; P121-Y124 HydrophobicContact CG-CG 4.47Å; P121-Y124 WeakPolarHBondContact O-CB 3.4Å; P121-Y124 PolarHBondContact O-N 2.72Å; P121-F125 WeakPolarHBondContact O-CD2 3.5Å |
| 122 | W | 94.3 | Very high | 96.9 | Very high | 20 Ų | 20 | 36 Ų | 36 | 8% | 0.076 | 19% | 0.194 | C | C | . | . | G | 310 helix | trans | -56.3 | -29.9 | 176.6 | -75 | 118 | 0 | 0 | 0 | 113.2 | L30 L120 Y124 F125 L176 M180 W184 Q186 P187 | L30-W122 HydrophobicContact CB-CH2 4.1Å; L30-W122 HydrophobicContact CB-CZ2 4.24Å; L30-W122 HydrophobicContact CD1-CH2 4.17Å; L30-W122 HydrophobicContact CD1-CZ2 4.44Å; L120-W122 PolarHBondContact O-N 3.26Å; W122-Y124 PolarHBondContact O-N 2.84Å; W122-Y124 VanDerWaalsContact O-N 3.11Å; W122-F125 HydrophobicContact CE3-CB 4.42Å; W122-F125 AromaticContact CE3-CD2 3.81Å; W122-F125 HydrophobicContact CE3-CD2 3.81Å; W122-F125 HydrophobicContact CE3-CE2 4.21Å; W122-F125 HydrophobicContact CE3-CG 4.04Å; W122-F125 HydrophobicContact CZ3-CD1 4.34Å; W122-F125 HydrophobicContact CZ3-CD2 4.22Å; W122-F125 HydrophobicContact CZ3-CE1 4.49Å; W122-F125 HydrophobicContact CZ3-CE2 4.38Å; W122-F125 HydrophobicContact CZ3-CG 4.2Å; W122-F125 PolarHBondContact O-N 2.78Å; W122-F125 VanDerWaalsContact O-N 3.08Å; W122-L176 HydrophobicContact CH2-CD1 4.3Å; W122-L176 HydrophobicContact CZ3-CD1 4.08Å; W122-M180 HydrophobicContact CZ2-CE 3.76Å; W122-M180 HydrophobicContact CZ2-CG 4.43Å; W122-M180 HydrophobicContact CZ2-SD 3.99Å; W122-W184 HydrophobicContact CD2-CZ2 4.19Å; W122-W184 AromaticContact CE2-CZ2 3.87Å; W122-W184 HydrophobicContact CE3-CH2 4.32Å; W122-W184 HydrophobicContact CE3-CZ2 4.13Å; W122-W184 AromaticContact CH2-CH2 3.57Å; W122-W184 HydrophobicContact CH2-CH2 3.57Å; W122-W184 AromaticContact CH2-CZ2 3.45Å; W122-W184 HydrophobicContact CH2-CZ2 3.45Å; W122-W184 VanDerWaalsContact CH2-CZ2 3.45Å; W122-W184 HydrophobicContact CZ2-CH2 4.13Å; W122-W184 AromaticContact CZ2-CZ2 3.51Å; W122-W184 HydrophobicContact CZ2-CZ2 3.51Å; W122-W184 AromaticContact CZ3-CH2 3.68Å; W122-W184 HydrophobicContact CZ3-CH2 3.68Å; W122-W184 AromaticContact CZ3-CZ2 3.78Å; W122-W184 HydrophobicContact CZ3-CZ2 3.78Å; W122-Q186 HydrophobicContact CE3-CG 4.4Å; W122-P187 HydrophobicContact CB-CB 3.99Å; W122-P187 HydrophobicContact CB-CG 3.95Å; W122-P187 HydrophobicContact CD2-CG 4.24Å; W122-P187 HydrophobicContact CG-CB 4.31Å; W122-P187 HydrophobicContact CG-CG 3.71Å |
| 123 | N | 95.1 | Very high | 97 | Very high | 62 Ų | 62 | 31.1 Ų | 31.1 | 33% | 0.332 | 16% | 0.164 | S | C | . | . | G | 310 helix | trans | -62.6 | -15.4 | 176.4 | -164.5 | 38.8 | 0 | 0 | 0 | 113.2 | P121 S189 E190 I191 | P121-N123 PolarHBondContact O-N 2.7Å; P121-N123 VanDerWaalsContact O-N 3.08Å; N123-S189 WeakPolarHBondContact O-CB 2.86Å; N123-S189 PolarHBondContact O-OG 2.88Å; N123-S189 WeakPolarHBondContact OD1-CA 3.34Å; N123-S189 PolarHBondContact OD1-OG 2.81Å; N123-E190 PolarHBondContact OD1-N 2.63Å; N123-I191 WeakPolarHBondContact O-CG2 3.37Å; N123-I191 PolarHBondContact OD1-N 3.24Å |
| 124 | Y | 97.2 | Very high | 97.1 | Very high | 32 Ų | 32 | 28.4 Ų | 28.4 | 13% | 0.125 | 15% | 0.152 | C | C | . | . | G | 310 helix | trans | -91.7 | -15.3 | 176.5 | -61.8 | -10.5 | 0 | 0 | 0 | 113 | L87 L89 L101 P102 P121 W122 I191 W192 | L87-Y124 HydrophobicContact CD2-CD2 3.77Å; L87-Y124 HydrophobicContact CD2-CE2 4.04Å; L89-Y124 WeakPolarHBondContact CD2-O 3.5Å; L101-Y124 HydrophobicContact CB-CD2 4.42Å; L101-Y124 HydrophobicContact CB-CE2 3.86Å; L101-Y124 HydrophobicContact CD1-CD1 3.93Å; L101-Y124 HydrophobicContact CD1-CD2 3.91Å; L101-Y124 HydrophobicContact CD1-CE1 4.11Å; L101-Y124 HydrophobicContact CD1-CE2 4.08Å; L101-Y124 HydrophobicContact CD1-CG 3.86Å; L101-Y124 HydrophobicContact CD2-CE1 4.48Å; P102-Y124 WeakPolarHBondContact O-CE2 3.48Å; P102-Y124 PolarHBondContact O-OH 2.82Å; P121-Y124 HydrophobicContact CB-CD2 4.27Å; P121-Y124 HydrophobicContact CB-CE2 4.34Å; P121-Y124 HydrophobicContact CB-CG 4.35Å; P121-Y124 HydrophobicContact CG-CD2 3.92Å; P121-Y124 HydrophobicContact CG-CE2 3.66Å; P121-Y124 HydrophobicContact CG-CG 4.47Å; P121-Y124 WeakPolarHBondContact O-CB 3.4Å; P121-Y124 PolarHBondContact O-N 2.72Å; W122-Y124 PolarHBondContact O-N 2.84Å; W122-Y124 VanDerWaalsContact O-N 3.11Å; Y124-I191 HydrophobicContact CD1-CD1 4.06Å; Y124-I191 HydrophobicContact CE1-CD1 4.11Å; Y124-W192 PolarHBondContact O-NE1 2.83Å |
| 125 | F | 96.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 15% | 0.154 | C | C | . | . | S | Bend | trans | -79.8 | 132.4 | -179.7 | -71.5 | -101.1 | 0 | 0 | 0 | 110.8 | L30 F66 L75 L120 P121 W122 T129 W192 | L30-F125 HydrophobicContact CB-CE2 4.15Å; L30-F125 HydrophobicContact CB-CZ 3.76Å; L30-F125 HydrophobicContact CD2-CE1 3.94Å; L30-F125 HydrophobicContact CD2-CZ 3.7Å; L30-F125 HydrophobicContact CG-CZ 4.4Å; F66-F125 HydrophobicContact CB-CD1 3.97Å; F66-F125 HydrophobicContact CB-CE1 3.93Å; F66-F125 HydrophobicContact CD1-CD1 4.32Å; F66-F125 AromaticContact CD1-CE1 3.58Å; F66-F125 HydrophobicContact CD1-CE1 3.58Å; F66-F125 AromaticContact CD2-CE1 3.93Å; F66-F125 HydrophobicContact CD2-CE1 3.93Å; F66-F125 HydrophobicContact CD2-CZ 4.45Å; F66-F125 AromaticContact CE1-CE1 3.97Å; F66-F125 HydrophobicContact CE1-CE1 3.97Å; F66-F125 HydrophobicContact CE2-CE1 4.3Å; F66-F125 HydrophobicContact CG-CD1 4.1Å; F66-F125 AromaticContact CG-CE1 3.53Å; F66-F125 HydrophobicContact CG-CE1 3.53Å; F66-F125 HydrophobicContact CG-CZ 4.45Å; F66-F125 HydrophobicContact CZ-CE1 4.31Å; L75-F125 HydrophobicContact CD2-CD1 4.4Å; L75-F125 HydrophobicContact CD2-CD2 4.22Å; L75-F125 HydrophobicContact CD2-CE1 4.28Å; L75-F125 HydrophobicContact CD2-CE2 4.09Å; L75-F125 HydrophobicContact CD2-CG 4.38Å; L75-F125 HydrophobicContact CD2-CZ 4.11Å; L120-F125 HydrophobicContact CB-CE2 3.66Å; L120-F125 HydrophobicContact CB-CZ 3.82Å; L120-F125 HydrophobicContact CD1-CZ 3.95Å; P121-F125 WeakPolarHBondContact O-CD2 3.5Å; W122-F125 HydrophobicContact CE3-CB 4.42Å; W122-F125 AromaticContact CE3-CD2 3.81Å; W122-F125 HydrophobicContact CE3-CD2 3.81Å; W122-F125 HydrophobicContact CE3-CE2 4.21Å; W122-F125 HydrophobicContact CE3-CG 4.04Å; W122-F125 HydrophobicContact CZ3-CD1 4.34Å; W122-F125 HydrophobicContact CZ3-CD2 4.22Å; W122-F125 HydrophobicContact CZ3-CE1 4.49Å; W122-F125 HydrophobicContact CZ3-CE2 4.38Å; W122-F125 HydrophobicContact CZ3-CG 4.2Å; W122-F125 PolarHBondContact O-N 2.78Å; W122-F125 VanDerWaalsContact O-N 3.08Å; F125-T129 HydrophobicContact CD1-CG2 4.2Å; F125-W192 PolarHBondContact O-NE1 2.9Å |
| 126 | P | 96.1 | Very high | 97.1 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 14% | 0.137 | C | C | . | . | P | Polyproline II helix | trans | -62.9 | 148.2 | 174.4 | 29.5 | -37.2 | 0 | 0 | 0 | 110.4 | Q73 C128 T129 Q186 W192 | Q73-P126 HydrophobicContact CB-CB 3.61Å; Q73-P126 HydrophobicContact CB-CG 4.48Å; Q73-P126 VanDerWaalsContact O-CG 3.32Å; Q73-P126 WeakPolarHBondContact O-CG 3.48Å; P126-C128 PolarHBondContact O-N 3.33Å; P126-T129 WeakPolarHBondContact CD-OG1 3.18Å; P126-T129 WeakPolarHBondContact CG-OG1 3.12Å; P126-T129 PolarHBondContact O-N 2.87Å; P126-T129 PolarHBondContact O-OG1 3.13Å; P126-Q186 PolarHBondContact O-NE2 3.18Å; P126-W192 HydrophobicContact CB-CD2 4.27Å; P126-W192 HydrophobicContact CB-CH2 4.44Å; P126-W192 HydrophobicContact CB-CZ2 4.05Å |
| 127 | P | 93.8 | Very high | 97.1 | Very high | 56 Ų | 56 | 25.1 Ų | 25.1 | 36% | 0.364 | 14% | 0.137 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54 | 137.5 | 175.4 | -25 | 34 | 0 | 0 | 0 | 111.8 | S68 W192 | S68-P127 VanDerWaalsContact CB-O 3.25Å; S68-P127 WeakPolarHBondContact CB-O 3.37Å; S68-P127 PolarHBondContact OG-O 3.13Å; P127-W192 HydrophobicContact CG-CB 4.26Å |
| 128 | C | 93.6 | Very high | 97.1 | Very high | 72 Ų | 72 | 21.3 Ų | 21.3 | 49% | 0.486 | 12% | 0.12 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 61.7 | 40.2 | -179.7 | -53.2 | 0 | 0 | 0 | 0 | 113.6 | S68 P126 N130 | S68-C128 PolarHBondContact OG-O 3.14Å; P126-C128 PolarHBondContact O-N 3.33Å; C128-N130 PolarHBondContact O-N 2.89Å; C128-N130 VanDerWaalsContact O-N 3.16Å |
| 129 | T | 97.1 | Very high | 97.1 | Very high | 10 Ų | 10 | 21.6 Ų | 21.6 | 6% | 0.061 | 12% | 0.123 | C | C | . | . | trans | -58.6 | 120.3 | 173.2 | -63.5 | 0 | 0 | 0 | 0 | 109.9 | F66 F125 P126 L174 L176 | F66-T129 HydrophobicContact CB-CG2 3.79Å; F66-T129 HydrophobicContact CD1-CG2 4.47Å; F125-T129 HydrophobicContact CD1-CG2 4.2Å; P126-T129 WeakPolarHBondContact CD-OG1 3.18Å; P126-T129 WeakPolarHBondContact CG-OG1 3.12Å; P126-T129 PolarHBondContact O-N 2.87Å; P126-T129 PolarHBondContact O-OG1 3.13Å; T129-L174 HydrophobicContact CG2-CD2 4.29Å; T129-L176 HydrophobicContact CG2-CD1 4.31Å | ||
| 130 | N | 97.6 | Very high | 97.2 | Very high | 39 Ų | 39 | 21.3 Ų | 21.3 | 21% | 0.209 | 12% | 0.123 | C | C | . | . | trans | -145.1 | 1.6 | -174.4 | 67.7 | -19.9 | 0 | 0 | 0 | 113.9 | L67 D69 C128 Q173 L174 | L67-N130 PolarHBondContact O-N 2.92Å; L67-N130 PolarHBondContact O-OD1 3.1Å; D69-N130 PolarHBondContact N-OD1 2.85Å; D69-N130 PolarHBondContact OD1-ND2 2.91Å; D69-N130 PolarHBondContact OD1-OD1 2.81Å; D69-N130 PolarHBondContact OD2-ND2 2.94Å; D69-N130 VanDerWaalsContact OD2-ND2 3.12Å; C128-N130 PolarHBondContact O-N 2.89Å; C128-N130 VanDerWaalsContact O-N 3.16Å; N130-Q173 WeakPolarHBondContact O-CA 3.27Å; N130-Q173 PolarHBondContact O-OE1 3.46Å; N130-Q173 VanDerWaalsContact O-OE1 3.12Å; N130-L174 PolarHBondContact O-N 2.83Å | ||
| 131 | K | 98.8 | Very high | 97.2 | Very high | 38 Ų | 38 | 24.8 Ų | 24.8 | 17% | 0.165 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 147.6 | 177.6 | -65.8 | -63.1 | -170.8 | 165.1 | 0 | 111.2 | L67 D69 F171 K172 | L67-K131 HydrophobicContact CB-CB 3.79Å; L67-K131 HydrophobicContact CD2-CB 3.86Å; L67-K131 HydrophobicContact CD2-CG 4.18Å; L67-K131 HydrophobicContact CG-CB 3.97Å; L67-K131 HydrophobicContact CG-CG 4.44Å; L67-K131 PolarHBondContact N-O 2.9Å; L67-K131 PolarHBondContact O-N 3.27Å; D69-K131 HydrophobicContact CB-CG 3.88Å; D69-K131 WeakPolarHBondContact OD2-CE 3.36Å; K131-F171 HydrophobicContact CB-CB 3.99Å; K131-K172 CarbonylContact C-O 3.57Å; K131-K172 VanDerWaalsContact CA-O 3.23Å; K131-K172 WeakPolarHBondContact CA-O 3.45Å |
| 132 | F | 98.8 | Very high | 97.1 | Very high | 2 Ų | 2 | 27.7 Ų | 27.7 | 1% | 0.009 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 145.9 | -178.8 | -175.2 | -108.7 | 0 | 0 | 0 | 112.2 | F3 V21 L23 A64 F65 F66 A134 L149 H150 K172 L174 | F3-F132 HydrophobicContact CB-CE1 4.41Å; F3-F132 HydrophobicContact CD1-CD1 4.29Å; F3-F132 HydrophobicContact CD1-CE1 4.13Å; F3-F132 HydrophobicContact CD2-CD1 4.43Å; F3-F132 AromaticContact CD2-CE1 3.71Å; F3-F132 HydrophobicContact CD2-CE1 3.71Å; F3-F132 HydrophobicContact CD2-CZ 4.29Å; F3-F132 HydrophobicContact CE1-CD1 4.14Å; F3-F132 HydrophobicContact CE1-CE1 4.31Å; F3-F132 HydrophobicContact CE2-CD1 4.3Å; F3-F132 AromaticContact CE2-CE1 3.94Å; F3-F132 HydrophobicContact CE2-CE1 3.94Å; F3-F132 HydrophobicContact CE2-CZ 4.49Å; F3-F132 HydrophobicContact CG-CD1 4.43Å; F3-F132 AromaticContact CG-CE1 3.82Å; F3-F132 HydrophobicContact CG-CE1 3.82Å; F3-F132 HydrophobicContact CZ-CD1 4.14Å; F3-F132 HydrophobicContact CZ-CE1 4.22Å; V21-F132 HydrophobicContact CG1-CZ 4.22Å; L23-F132 HydrophobicContact CD1-CE2 4.26Å; L23-F132 HydrophobicContact CD1-CZ 4.38Å; A64-F132 HydrophobicContact CB-CE2 3.97Å; A64-F132 HydrophobicContact CB-CZ 4.26Å; F65-F132 WeakPolarHBondContact O-CA 3.45Å; F65-F132 WeakPolarHBondContact O-CD2 3.37Å; F66-F132 AromaticContact CD1-CD2 3.77Å; F66-F132 HydrophobicContact CD1-CD2 3.77Å; F66-F132 HydrophobicContact CD1-CE2 4.13Å; F66-F132 AromaticContact CE1-CD2 3.6Å; F66-F132 HydrophobicContact CE1-CD2 3.6Å; F66-F132 AromaticContact CE1-CE2 3.55Å; F66-F132 HydrophobicContact CE1-CE2 3.55Å; F66-F132 HydrophobicContact CE2-CE2 4.26Å; F66-F132 HydrophobicContact CG-CD2 4.44Å; F66-F132 HydrophobicContact CZ-CD2 4.14Å; F66-F132 AromaticContact CZ-CE2 3.63Å; F66-F132 HydrophobicContact CZ-CE2 3.63Å; F132-A134 HydrophobicContact CE1-CB 4.09Å; F132-A134 HydrophobicContact CZ-CB 3.99Å; F132-L149 HydrophobicContact CD1-CD2 3.75Å; F132-L149 HydrophobicContact CE1-CD2 3.56Å; F132-H150 PolarHBondContact O-CD2 2.95Å; F132-K172 PolarHBondContact N-O 2.86Å; F132-K172 PolarHBondContact O-N 2.87Å; F132-L174 HydrophobicContact CB-CB 3.76Å; F132-L174 HydrophobicContact CB-CD1 3.93Å; F132-L174 HydrophobicContact CB-CD2 4.09Å; F132-L174 HydrophobicContact CB-CG 4.12Å; F132-L174 HydrophobicContact CD2-CD2 4.42Å; F132-L174 HydrophobicContact CG-CD1 4.18Å |
| 133 | N | 98.9 | Very high | 97.2 | Very high | 2 Ų | 2 | 32.4 Ų | 32.4 | 1% | 0.011 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 159.1 | 160.4 | -154.4 | -6.3 | 0 | 0 | 0 | 108.5 | F65 F135 H150 F171 | F65-N133 PolarHBondContact N-O 2.77Å; F65-N133 PolarHBondContact O-N 2.85Å; N133-F135 HydrophobicContact CB-CE2 3.96Å; N133-F135 HydrophobicContact CB-CZ 3.9Å; N133-F135 VanDerWaalsContact CG-CZ 3.48Å; N133-F135 WeakPolarHBondContact ND2-CZ 3.49Å; N133-H150 PolarHBondContact ND2-O 2.77Å; N133-H150 WeakPolarHBondContact OD1-CB 3.33Å; N133-H150 PolarHBondContact OD1-N 2.98Å; N133-F171 HydrophobicContact CB-CD1 3.57Å; N133-F171 HydrophobicContact CB-CD2 4.25Å; N133-F171 HydrophobicContact CB-CE1 3.74Å; N133-F171 HydrophobicContact CB-CE2 4.43Å; N133-F171 HydrophobicContact CB-CG 3.84Å; N133-F171 HydrophobicContact CB-CZ 4.17Å |
| 134 | A | 98.9 | Very high | 97.4 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 149.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | V5 V21 E63 F132 A148 L149 | V5-A134 HydrophobicContact CG2-CB 4.29Å; V21-A134 HydrophobicContact CG2-CB 4.21Å; E63-A134 CarbonylContact O-C 3.59Å; E63-A134 WeakPolarHBondContact O-CA 3.28Å; E63-A134 WeakPolarHBondContact O-CB 3.06Å; F132-A134 HydrophobicContact CE1-CB 4.09Å; F132-A134 HydrophobicContact CZ-CB 3.99Å; A134-A148 WeakPolarHBondContact O-CA 3.35Å; A134-L149 HydrophobicContact CB-CB 4.13Å; A134-L149 HydrophobicContact CB-CD2 4.24Å; A134-L149 WeakPolarHBondContact O-CB 3.44Å; A134-L149 PolarHBondContact O-N 3.33Å |
| 135 | F | 98.9 | Very high | 97.4 | Very high | 7 Ų | 7 | 33.3 Ų | 33.3 | 3% | 0.031 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 158.5 | -175 | -52.4 | -84.6 | 0 | 0 | 0 | 110.5 | V62 E63 F65 N133 E147 A148 F165 F171 | V62-F135 WeakPolarHBondContact CA-O 3.16Å; E63-F135 HydrophobicContact CB-CB 4.25Å; E63-F135 HydrophobicContact CB-CD2 4.43Å; E63-F135 PolarHBondContact N-O 3.31Å; E63-F135 PolarHBondContact O-N 3.03Å; F65-F135 AromaticContact CD2-CD2 3.63Å; F65-F135 HydrophobicContact CD2-CD2 3.63Å; F65-F135 AromaticContact CD2-CE2 3.48Å; F65-F135 HydrophobicContact CD2-CE2 3.48Å; F65-F135 VanDerWaalsContact CD2-CE2 3.48Å; F65-F135 AromaticContact CE2-CD2 3.52Å; F65-F135 HydrophobicContact CE2-CD2 3.52Å; F65-F135 AromaticContact CE2-CE2 3.58Å; F65-F135 HydrophobicContact CE2-CE2 3.58Å; F65-F135 HydrophobicContact CG-CE2 4.25Å; F65-F135 HydrophobicContact CZ-CE2 4.41Å; N133-F135 HydrophobicContact CB-CE2 3.96Å; N133-F135 HydrophobicContact CB-CZ 3.9Å; N133-F135 VanDerWaalsContact CG-CZ 3.48Å; N133-F135 WeakPolarHBondContact ND2-CZ 3.49Å; F135-E147 WeakPolarHBondContact CA-O 3.42Å; F135-E147 VanDerWaalsContact CB-O 3.27Å; F135-E147 WeakPolarHBondContact CB-O 3.41Å; F135-E147 WeakPolarHBondContact CD1-O 3.43Å; F135-A148 HydrophobicContact CD1-CB 3.58Å; F135-A148 HydrophobicContact CE1-CB 3.69Å; F135-F165 HydrophobicContact CB-CD2 3.7Å; F135-F165 HydrophobicContact CB-CE1 4.43Å; F135-F165 HydrophobicContact CB-CE2 3.4Å; F135-F165 VanDerWaalsContact CB-CE2 3.4Å; F135-F165 HydrophobicContact CB-CG 4.31Å; F135-F165 HydrophobicContact CB-CZ 3.81Å; F135-F165 HydrophobicContact CD1-CB 4.25Å; F135-F165 AromaticContact CD1-CD1 3.44Å; F135-F165 HydrophobicContact CD1-CD1 3.44Å; F135-F165 VanDerWaalsContact CD1-CD1 3.44Å; F135-F165 AromaticContact CD1-CD2 3.9Å; F135-F165 HydrophobicContact CD1-CD2 3.9Å; F135-F165 AromaticContact CD1-CE1 3.58Å; F135-F165 HydrophobicContact CD1-CE1 3.58Å; F135-F165 AromaticContact CD1-CE2 3.99Å; F135-F165 HydrophobicContact CD1-CE2 3.99Å; F135-F165 AromaticContact CD1-CG 3.61Å; F135-F165 HydrophobicContact CD1-CG 3.61Å; F135-F165 AromaticContact CD1-CZ 3.84Å; F135-F165 HydrophobicContact CD1-CZ 3.84Å; F135-F165 HydrophobicContact CD2-CB 4.01Å; F135-F165 AromaticContact CD2-CD2 3.92Å; F135-F165 HydrophobicContact CD2-CD2 3.92Å; F135-F165 HydrophobicContact CD2-CE2 4.48Å; F135-F165 AromaticContact CD2-CG 3.96Å; F135-F165 HydrophobicContact CD2-CG 3.96Å; F135-F165 HydrophobicContact CE1-CB 4.03Å; F135-F165 AromaticContact CE1-CD1 3.57Å; F135-F165 HydrophobicContact CE1-CD1 3.57Å; F135-F165 HydrophobicContact CE1-CD2 4.49Å; F135-F165 HydrophobicContact CE1-CE1 4.1Å; F135-F165 AromaticContact CE1-CG 3.79Å; F135-F165 HydrophobicContact CE1-CG 3.79Å; F135-F165 HydrophobicContact CE2-CB 3.76Å; F135-F165 HydrophobicContact CE2-CG 4.13Å; F135-F165 HydrophobicContact CG-CB 4.24Å; F135-F165 HydrophobicContact CG-CD1 4.01Å; F135-F165 AromaticContact CG-CD2 3.56Å; F135-F165 HydrophobicContact CG-CD2 3.56Å; F135-F165 HydrophobicContact CG-CE1 4.19Å; F135-F165 AromaticContact CG-CE2 3.73Å; F135-F165 HydrophobicContact CG-CE2 3.73Å; F135-F165 AromaticContact CG-CG 3.69Å; F135-F165 HydrophobicContact CG-CG 3.69Å; F135-F165 HydrophobicContact CG-CZ 4.04Å; F135-F165 HydrophobicContact CZ-CB 3.76Å; F135-F165 HydrophobicContact CZ-CD1 4.21Å; F135-F165 HydrophobicContact CZ-CG 4.03Å; F135-F171 HydrophobicContact CE2-CE1 4.44Å; F135-F171 HydrophobicContact CZ-CE1 4.14Å |
| 136 | A | 98.9 | Very high | 97.5 | Very high | 3 Ų | 3 | 37.1 Ų | 37.1 | 3% | 0.025 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 140.6 | 168.7 | 0 | 0 | 0 | 0 | 0 | 109 | V19 V61 V62 E147 | V19-A136 HydrophobicContact CB-CB 4.36Å; V19-A136 HydrophobicContact CG2-CB 3.77Å; V61-A136 WeakPolarHBondContact O-CA 3.39Å; V62-A136 HydrophobicContact CG2-CB 4.26Å; A136-E147 HydrophobicContact CB-CB 4.24Å; A136-E147 PolarHBondContact N-O 3.33Å; A136-E147 VanDerWaalsContact N-O 3.09Å; A136-E147 PolarHBondContact O-N 2.85Å |
| 137 | I | 98.8 | Very high | 97.6 | Very high | 5 Ų | 5 | 37.3 Ų | 37.3 | 3% | 0.026 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 131.3 | 175.8 | -31.9 | -179.9 | 0 | 0 | 0 | 108.5 | W57 E60 V61 E63 R144 K145 Y146 F165 | W57-I137 HydrophobicContact CB-CD1 3.92Å; E60-I137 CarbonylContact C-O 3.47Å; E60-I137 VanDerWaalsContact CA-O 3.28Å; E60-I137 WeakPolarHBondContact CA-O 3.25Å; V61-I137 HydrophobicContact CG1-CB 3.94Å; V61-I137 HydrophobicContact CG1-CD1 3.94Å; V61-I137 HydrophobicContact CG1-CG1 3.81Å; V61-I137 PolarHBondContact N-O 2.84Å; V61-I137 PolarHBondContact O-N 2.85Å; E63-I137 WeakPolarHBondContact OE1-CD1 3.45Å; I137-R144 VanDerWaalsContact CG2-NE 3.34Å; I137-K145 WeakPolarHBondContact CA-O 3.23Å; I137-K145 WeakPolarHBondContact CG2-O 3.47Å; I137-Y146 HydrophobicContact CD1-CD1 4.27Å; I137-Y146 HydrophobicContact CD1-CE1 4.39Å; I137-Y146 HydrophobicContact CG1-CD1 4.36Å; I137-Y146 HydrophobicContact CG2-CD1 3.54Å; I137-Y146 HydrophobicContact CG2-CE1 3.63Å; I137-Y146 HydrophobicContact CG2-CG 4.22Å; I137-F165 HydrophobicContact CD1-CD2 4.41Å; I137-F165 HydrophobicContact CD1-CE2 3.63Å; I137-F165 HydrophobicContact CD1-CZ 4.41Å; I137-F165 HydrophobicContact CG1-CE2 3.68Å; I137-F165 HydrophobicContact CG1-CZ 4.2Å |
| 138 | H | 98.6 | Very high | 97.9 | Very high | 13 Ų | 13 | 34.7 Ų | 34.7 | 6% | 0.06 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.6 | 173.5 | 179.6 | 64.5 | 86.3 | 0 | 0 | 0 | 110.3 | H16 F39 D41 E60 R144 K145 E147 | H16-H138 AromaticContact NE2-CE1 3.88Å; H16-H138 AromaticContact NE2-NE2 3.46Å; H16-H138 PolarHBondContact NE2-NE2 3.03Å; F39-H138 HydrophobicContact CB-CB 4.06Å; F39-H138 AromaticContact CD1-ND1 3.78Å; F39-H138 HydrophobicContact CD2-CB 3.47Å; F39-H138 VanDerWaalsContact CD2-CB 3.47Å; F39-H138 AromaticContact CD2-CD2 3.85Å; F39-H138 AromaticContact CD2-CG 3.46Å; F39-H138 VanDerWaalsContact CD2-CG 3.46Å; F39-H138 AromaticContact CD2-ND1 3.88Å; F39-H138 AromaticContact CE1-CE1 3.74Å; F39-H138 AromaticContact CE1-ND1 3.88Å; F39-H138 HydrophobicContact CE2-CB 4.05Å; F39-H138 AromaticContact CE2-CD2 3.48Å; F39-H138 VanDerWaalsContact CE2-CD2 3.48Å; F39-H138 WeakPolarHBondContact CE2-CD2 3.26Å; F39-H138 AromaticContact CE2-CG 3.58Å; F39-H138 AromaticContact CE2-ND1 3.96Å; F39-H138 AromaticContact CE2-NE2 3.76Å; F39-H138 HydrophobicContact CG-CB 3.84Å; F39-H138 AromaticContact CG-CG 3.81Å; F39-H138 AromaticContact CG-ND1 3.77Å; F39-H138 AromaticContact CZ-CD2 3.87Å; F39-H138 AromaticContact CZ-CE1 3.67Å; F39-H138 AromaticContact CZ-ND1 3.95Å; F39-H138 AromaticContact CZ-NE2 3.64Å; D41-H138 CarbonylContact O-C 3.56Å; E60-H138 HydrophobicContact CG-CB 4.15Å; H138-R144 WeakPolarHBondContact O-CD 3.28Å; H138-R144 PolarHBondContact O-NH1 3.49Å; H138-K145 PolarHBondContact N-O 3.4Å; H138-K145 PolarHBondContact O-N 3.2Å; H138-E147 IonicContact CD2-OE1 3.3Å; H138-E147 IonicContact CE1-OE1 2.86Å; H138-E147 IonicContact NE2-OE1 3.75Å; H138-E147 PolarHBondContact NE2-OE1 3.3Å |
| 139 | G | 98.2 | Very high | 98.1 | Very high | 5 Ų | 5 | 32.3 Ų | 32.3 | 5% | 0.052 | 19% | 0.19 | C | C | . | . | trans | 76.1 | 170.7 | -173.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | D41 P42 R144 | D41-G139 WeakPolarHBondContact O-CA 3.2Å; D41-G139 PolarHBondContact O-N 3.5Å; D41-G139 VanDerWaalsContact OD2-CA 3.27Å; D41-G139 WeakPolarHBondContact OD2-CA 3.37Å; P42-G139 WeakPolarHBondContact CD-O 3.28Å; G139-R144 WeakPolarHBondContact O-CD 3.49Å; G139-R144 PolarHBondContact O-NH1 2.83Å | ||
| 140 | S | 97.6 | Very high | 98.2 | Very high | 43 Ų | 43 | 33.9 Ų | 33.9 | 30% | 0.301 | 20% | 0.197 | S | C | . | . | trans | -131.2 | 155.9 | 178.7 | -68.3 | 0 | 0 | 0 | 0 | 113 | D41 P42 A142 E143 R144 | D41-S140 VanDerWaalsContact OD1-CB 3.23Å; D41-S140 WeakPolarHBondContact OD1-CB 3.42Å; D41-S140 PolarHBondContact OD1-OG 3.22Å; D41-S140 PolarHBondContact OD2-N 3.17Å; P42-S140 WeakPolarHBondContact CA-OG 3.38Å; P42-S140 WeakPolarHBondContact CB-OG 3.26Å; S140-A142 PolarHBondContact O-N 3.46Å; S140-E143 PolarHBondContact O-N 2.97Å; S140-R144 PolarHBondContact O-N 3.16Å | ||
| 141 | G | 96.4 | Very high | 98.2 | Very high | 72 Ų | 72 | 33.6 Ų | 33.6 | 74% | 0.742 | 20% | 0.197 | S | C | * | . | G | 310 helix | trans | 58.1 | -126.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | E143 R144 | G141-E143 PolarHBondContact O-N 3.42Å; G141-R144 WeakPolarHBondContact O-CB 3.44Å; G141-R144 PolarHBondContact O-N 3.34Å |
| 142 | A | 95.4 | Very high | 98.2 | Very high | 100 Ų | 100 | 32.2 Ų | 32.2 | 83% | 0.826 | 19% | 0.192 | S | C | * | . | G | 310 helix | trans | -68.8 | -20.7 | 178 | 0 | 0 | 0 | 0 | 0 | 113.4 | S140 | S140-A142 PolarHBondContact O-N 3.46Š|
| 143 | E | 96.4 | Very high | 98 | Very high | 119 Ų | 119 | 34 Ų | 34 | 56% | 0.556 | 20% | 0.204 | S | C | * | . | G | 310 helix | trans | -93.7 | 4.9 | 178.6 | -64.5 | -53.4 | 143.6 | 0 | 0 | 113.2 | S140 G141 K145 | S140-E143 PolarHBondContact O-N 2.97Å; G141-E143 PolarHBondContact O-N 3.42Å; E143-K145 WeakPolarHBondContact O-CD 3.27Å; E143-K145 VanDerWaalsContact O-CE 3.26Å; E143-K145 WeakPolarHBondContact O-CE 3.09Å; E143-K145 WeakPolarHBondContact O-CG 3.45Å; E143-K145 PolarHBondContact O-N 2.81Å; E143-K145 IonicContact OE2-NZ 2.73Å; E143-K145 PolarHBondContact OE2-NZ 3.5Å |
| 144 | R | 98.1 | Very high | 97.8 | Very high | 35 Ų | 35 | 40 Ų | 40 | 13% | 0.132 | 23% | 0.232 | C | C | . | . | trans | -57.5 | 121.9 | 174.3 | -169.6 | 67.2 | 173 | 153.1 | 1.2 | 110 | W57 Y59 I137 H138 G139 S140 G141 Y146 | W57-R144 PolarHBondContact O-NH2 3Å; Y59-R144 PolarHBondContact O-NH1 2.76Å; Y59-R144 PolarHBondContact O-NH2 3.31Å; I137-R144 VanDerWaalsContact CG2-NE 3.34Å; H138-R144 WeakPolarHBondContact O-CD 3.28Å; H138-R144 PolarHBondContact O-NH1 3.49Å; G139-R144 WeakPolarHBondContact O-CD 3.49Å; G139-R144 PolarHBondContact O-NH1 2.83Å; S140-R144 PolarHBondContact O-N 3.16Å; G141-R144 WeakPolarHBondContact O-CB 3.44Å; G141-R144 PolarHBondContact O-N 3.34Å; R144-Y146 HydrophobicContact CB-CE2 4.25Å; R144-Y146 HydrophobicContact CG-CD2 4.42Å; R144-Y146 HydrophobicContact CG-CE1 4.42Å; R144-Y146 HydrophobicContact CG-CE2 3.58Å; R144-Y146 WeakPolarHBondContact CG-OH 3.28Å | ||
| 145 | K | 98.3 | Very high | 97.7 | Very high | 78 Ų | 78 | 47.7 Ų | 47.7 | 34% | 0.339 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 145.2 | 178.4 | -53.2 | -52.8 | 176.4 | -165.3 | 0 | 110.1 | I137 H138 E143 | I137-K145 WeakPolarHBondContact CA-O 3.23Å; I137-K145 WeakPolarHBondContact CG2-O 3.47Å; H138-K145 PolarHBondContact N-O 3.4Å; H138-K145 PolarHBondContact O-N 3.2Å; E143-K145 WeakPolarHBondContact O-CD 3.27Å; E143-K145 VanDerWaalsContact O-CE 3.26Å; E143-K145 WeakPolarHBondContact O-CE 3.09Å; E143-K145 WeakPolarHBondContact O-CG 3.45Å; E143-K145 PolarHBondContact O-N 2.81Å; E143-K145 IonicContact OE2-NZ 2.73Å; E143-K145 PolarHBondContact OE2-NZ 3.5Å |
| 146 | Y | 98.7 | Very high | 97.5 | Very high | 81 Ų | 81 | 51.2 Ų | 51.2 | 32% | 0.318 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 121.5 | 177.6 | -60 | -92.9 | 0 | 0 | 0 | 107.3 | T8 W9 I137 R144 P163 F165 | T8-Y146 CarbonylContact C-O 3.59Å; T8-Y146 VanDerWaalsContact CA-O 3.26Å; T8-Y146 WeakPolarHBondContact CA-O 3.39Å; W9-Y146 PolarHBondContact N-O 2.99Å; I137-Y146 HydrophobicContact CD1-CD1 4.27Å; I137-Y146 HydrophobicContact CD1-CE1 4.39Å; I137-Y146 HydrophobicContact CG1-CD1 4.36Å; I137-Y146 HydrophobicContact CG2-CD1 3.54Å; I137-Y146 HydrophobicContact CG2-CE1 3.63Å; I137-Y146 HydrophobicContact CG2-CG 4.22Å; R144-Y146 HydrophobicContact CB-CE2 4.25Å; R144-Y146 HydrophobicContact CG-CD2 4.42Å; R144-Y146 HydrophobicContact CG-CE1 4.42Å; R144-Y146 HydrophobicContact CG-CE2 3.58Å; R144-Y146 WeakPolarHBondContact CG-OH 3.28Å; Y146-P163 HydrophobicContact CD1-CB 3.98Å; Y146-P163 HydrophobicContact CD1-CG 4.01Å; Y146-P163 HydrophobicContact CD2-CB 4.25Å; Y146-P163 HydrophobicContact CD2-CG 3.41Å; Y146-P163 VanDerWaalsContact CD2-CG 3.41Å; Y146-P163 HydrophobicContact CE1-CG 4.4Å; Y146-P163 HydrophobicContact CE2-CG 3.84Å; Y146-P163 HydrophobicContact CG-CB 3.82Å; Y146-P163 HydrophobicContact CG-CG 3.49Å; Y146-P163 VanDerWaalsContact CG-CG 3.49Å; Y146-F165 HydrophobicContact CD1-CE2 4.48Å; Y146-F165 AromaticContact CD1-CZ 3.92Å; Y146-F165 HydrophobicContact CD1-CZ 3.92Å; Y146-F165 HydrophobicContact CG-CZ 4.39Å |
| 147 | E | 98.8 | Very high | 97.3 | Very high | 3 Ų | 3 | 53.4 Ų | 53.4 | 1% | 0.014 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 151.2 | -173.1 | -61.6 | 174.4 | -163.6 | 0 | 0 | 111.1 | V5 H7 V14 H16 F135 A136 H138 | V5-E147 HydrophobicContact CG1-CB 3.51Å; H7-E147 CarbonylContact O-C 3.43Å; H7-E147 VanDerWaalsContact O-CA 3.28Å; H7-E147 WeakPolarHBondContact O-CA 3.49Å; H7-E147 WeakPolarHBondContact O-CB 3.35Å; V14-E147 VanDerWaalsContact CG1-CD 3.48Å; V14-E147 HydrophobicContact CG1-CG 3.85Å; H16-E147 IonicContact CE1-OE1 3.89Å; H16-E147 PolarHBondContact CE1-OE1 2.9Å; H16-E147 VanDerWaalsContact CE1-OE1 3.3Å; H16-E147 IonicContact CE1-OE2 3.52Å; H16-E147 IonicContact NE2-OE1 3.59Å; H16-E147 PolarHBondContact NE2-OE1 3.39Å; H16-E147 IonicContact NE2-OE2 3.81Å; F135-E147 WeakPolarHBondContact CA-O 3.42Å; F135-E147 VanDerWaalsContact CB-O 3.27Å; F135-E147 WeakPolarHBondContact CB-O 3.41Å; F135-E147 WeakPolarHBondContact CD1-O 3.43Å; A136-E147 HydrophobicContact CB-CB 4.24Å; A136-E147 PolarHBondContact N-O 3.33Å; A136-E147 VanDerWaalsContact N-O 3.09Å; A136-E147 PolarHBondContact O-N 2.85Å; H138-E147 IonicContact CD2-OE1 3.3Å; H138-E147 IonicContact CE1-OE1 2.86Å; H138-E147 IonicContact NE2-OE1 3.75Å; H138-E147 PolarHBondContact NE2-OE1 3.3Å |
| 148 | A | 98.8 | Very high | 97.2 | Very high | 1 Ų | 1 | 60.4 Ų | 60.4 | 1% | 0.008 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 138.2 | -175 | 0 | 0 | 0 | 0 | 0 | 111.8 | H7 A134 F135 H150 P151 | H7-A148 PolarHBondContact O-N 3.3Å; A134-A148 WeakPolarHBondContact O-CA 3.35Å; F135-A148 HydrophobicContact CD1-CB 3.58Å; F135-A148 HydrophobicContact CE1-CB 3.69Å; A148-H150 VanDerWaalsContact C-N 3.34Å; A148-P151 HydrophobicContact CB-CB 4.13Å |
| 149 | L | 98.8 | Very high | 97 | Very high | 22 Ų | 22 | 69.5 Ų | 69.5 | 12% | 0.115 | 37% | 0.37 | C | S | . | . | S | Bend | trans | -64.2 | -43.2 | 167.4 | 174.9 | 66.4 | 0 | 0 | 0 | 110.4 | F3 T4 V5 F132 A134 | F3-L149 HydrophobicContact CB-CD1 3.89Å; F3-L149 HydrophobicContact CB-CD2 3.77Å; F3-L149 HydrophobicContact CB-CG 4.48Å; F3-L149 HydrophobicContact CD1-CD2 3.76Å; F3-L149 HydrophobicContact CG-CD2 3.95Å; T4-L149 VanDerWaalsContact O-CD1 3.28Å; T4-L149 WeakPolarHBondContact O-CD1 3.42Å; V5-L149 HydrophobicContact CG2-CB 4.07Å; F132-L149 HydrophobicContact CD1-CD2 3.75Å; F132-L149 HydrophobicContact CE1-CD2 3.56Å; A134-L149 HydrophobicContact CB-CB 4.13Å; A134-L149 HydrophobicContact CB-CD2 4.24Å; A134-L149 WeakPolarHBondContact O-CB 3.44Å; A134-L149 PolarHBondContact O-N 3.33Å |
| 150 | H | 98.6 | Very high | 96.7 | Very high | 44 Ų | 44 | 72.7 Ų | 72.7 | 20% | 0.204 | 40% | 0.403 | C | S | . | . | S | Bend | trans | -122.9 | 90.6 | 174.2 | -55.4 | -46.8 | 0 | 0 | 0 | 108.9 | F132 N133 A148 K172 | F132-H150 PolarHBondContact O-CD2 2.95Å; N133-H150 PolarHBondContact ND2-O 2.77Å; N133-H150 WeakPolarHBondContact OD1-CB 3.33Å; N133-H150 PolarHBondContact OD1-N 2.98Å; A148-H150 VanDerWaalsContact C-N 3.34Å; H150-K172 HydrophobicContact CB-CG 4.05Å; H150-K172 WeakPolarHBondContact CD2-CG 3.44Å; H150-K172 WeakPolarHBondContact NE2-CB 3.38Å |
| 151 | P | 98.2 | Very high | 96.6 | Very high | 33 Ų | 33 | 72.8 Ų | 72.8 | 21% | 0.214 | 40% | 0.399 | C | S | . | . | P | Polyproline II helix | trans | -72.5 | 166.1 | -178.1 | 30.5 | -36 | 0 | 0 | 0 | 112.2 | H7 T8 W9 A148 P153 | H7-P151 HydrophobicContact CB-CG 4.15Å; T8-P151 WeakPolarHBondContact O-CB 3.35Å; W9-P151 WeakPolarHBondContact O-CB 3.4Å; A148-P151 HydrophobicContact CB-CB 4.13Å; P151-P153 WeakPolarHBondContact O-CD 3.22Å |
| 152 | V | 97.7 | Very high | 96.6 | Very high | 8 Ų | 8 | 77.4 Ų | 77.4 | 5% | 0.048 | 40% | 0.398 | C | S | . | . | P | Polyproline II helix | trans | -65.5 | 125.5 | 167.8 | -177.8 | 0 | 0 | 0 | 0 | 108 | W9 Q154 E156 L157 F170 | W9-V152 HydrophobicContact CE3-CG2 4.4Å; W9-V152 PolarHBondContact O-N 2.91Å; V152-Q154 PolarHBondContact O-N 2.77Å; V152-E156 HydrophobicContact CG1-CB 4.28Å; V152-L157 HydrophobicContact CB-CD2 3.89Å; V152-L157 HydrophobicContact CG1-CD2 3.61Å; V152-L157 HydrophobicContact CG1-CG 4.16Å; V152-F170 HydrophobicContact CB-CD2 4.29Å; V152-F170 HydrophobicContact CB-CE2 3.95Å; V152-F170 HydrophobicContact CB-CZ 4.5Å; V152-F170 HydrophobicContact CG1-CD2 4.41Å; V152-F170 HydrophobicContact CG1-CE2 3.59Å; V152-F170 HydrophobicContact CG1-CZ 3.79Å; V152-F170 HydrophobicContact CG2-CD2 3.79Å; V152-F170 HydrophobicContact CG2-CE2 3.63Å |
| 153 | P | 95.9 | Very high | 96.7 | Very high | 41 Ų | 41 | 74.6 Ų | 74.6 | 27% | 0.266 | 37% | 0.372 | S | S | . | . | P | Polyproline II helix | trans | -59.1 | 136.6 | 176.4 | -25.1 | 36.3 | 0 | 0 | 0 | 111.2 | P151 H155 E156 F170 | P151-P153 WeakPolarHBondContact O-CD 3.22Å; P153-H155 WeakPolarHBondContact CB-CE1 3.18Å; P153-H155 PolarHBondContact O-N 2.59Å; P153-H155 VanDerWaalsContact O-N 3.07Å; P153-E156 HydrophobicContact CB-CG 4.32Å; P153-E156 WeakPolarHBondContact CG-OE1 3.41Å; P153-E156 WeakPolarHBondContact O-CA 3.41Å; P153-E156 WeakPolarHBondContact O-CB 3.39Å; P153-E156 PolarHBondContact O-N 3.26Å; P153-F170 HydrophobicContact CG-CD1 4.32Å; P153-F170 HydrophobicContact CG-CE1 4.11Å |
| 154 | Q | 94.7 | Very high | 96.7 | Very high | 128 Ų | 128 | 70.2 Ų | 70.2 | 60% | 0.598 | 35% | 0.352 | S | S | * | . | G | 310 helix | trans | -56.8 | -31.7 | -174.1 | -74 | -175.5 | -32.8 | 0 | 0 | 114.3 | D10 V152 E156 L157 | D10-Q154 VanDerWaalsContact O-CG 3.22Å; D10-Q154 WeakPolarHBondContact O-CG 3.38Å; V152-Q154 PolarHBondContact O-N 2.77Å; Q154-E156 PolarHBondContact O-N 2.81Å; Q154-L157 HydrophobicContact CB-CD1 4.39Å; Q154-L157 HydrophobicContact CG-CD1 4.26Å; Q154-L157 WeakPolarHBondContact O-CB 3.49Å; Q154-L157 PolarHBondContact O-N 3.34Å |
| 155 | H | 94.9 | Very high | 96.7 | Very high | 161 Ų | 161 | 69.7 Ų | 69.7 | 75% | 0.745 | 35% | 0.351 | S | S | * | . | G | 310 helix | trans | -74.6 | -12.2 | 178 | 68.5 | -85.5 | 0 | 0 | 0 | 113.8 | P153 | P153-H155 WeakPolarHBondContact CB-CE1 3.18Å; P153-H155 PolarHBondContact O-N 2.59Å; P153-H155 VanDerWaalsContact O-N 3.07Å |
| 156 | E | 95.8 | Very high | 96.7 | Very high | 81 Ų | 81 | 67.5 Ų | 67.5 | 38% | 0.379 | 34% | 0.342 | S | S | . | . | G | 310 helix | trans | -99.2 | -0.9 | 174.6 | -61.4 | -169.8 | -121.6 | 0 | 0 | 112.5 | V152 P153 Q154 F170 | V152-E156 HydrophobicContact CG1-CB 4.28Å; P153-E156 HydrophobicContact CB-CG 4.32Å; P153-E156 WeakPolarHBondContact CG-OE1 3.41Å; P153-E156 WeakPolarHBondContact O-CA 3.41Å; P153-E156 WeakPolarHBondContact O-CB 3.39Å; P153-E156 PolarHBondContact O-N 3.26Å; Q154-E156 PolarHBondContact O-N 2.81Å; E156-F170 HydrophobicContact CB-CZ 4.39Å; E156-F170 WeakPolarHBondContact OE1-CE1 3.41Å; E156-F170 WeakPolarHBondContact OE2-CE1 3.39Å; E156-F170 WeakPolarHBondContact OE2-CZ 3.33Å |
| 157 | L | 95.4 | Very high | 96.7 | Very high | 48 Ų | 48 | 65.6 Ų | 65.6 | 25% | 0.251 | 33% | 0.334 | S | S | . | . | P | Polyproline II helix | trans | -77.9 | 140.6 | 177.1 | -66.9 | 171.7 | 0 | 0 | 0 | 111.3 | W9 D10 V152 Q154 | W9-L157 HydrophobicContact CE3-CD2 4.37Å; W9-L157 HydrophobicContact CH2-CD2 3.97Å; W9-L157 HydrophobicContact CZ3-CD2 3.54Å; D10-L157 HydrophobicContact CB-CD1 3.6Å; D10-L157 HydrophobicContact CB-CD2 4.31Å; V152-L157 HydrophobicContact CB-CD2 3.89Å; V152-L157 HydrophobicContact CG1-CD2 3.61Å; V152-L157 HydrophobicContact CG1-CG 4.16Å; Q154-L157 HydrophobicContact CB-CD1 4.39Å; Q154-L157 HydrophobicContact CG-CD1 4.26Å; Q154-L157 WeakPolarHBondContact O-CB 3.49Å; Q154-L157 PolarHBondContact O-N 3.34Å |
| 158 | Q | 95.4 | Very high | 96.6 | Very high | 153 Ų | 153 | 66.3 Ų | 66.3 | 72% | 0.715 | 34% | 0.338 | S | S | * | . | P | Polyproline II helix | trans | -99.2 | 150.4 | 170.5 | -60.4 | 179 | -1.7 | 0 | 0 | 110.5 | G160 Q161 | Q158-G160 PolarHBondContact O-N 2.85Å; Q158-Q161 HydrophobicContact CB-CB 4.27Å; Q158-Q161 WeakPolarHBondContact O-CB 3.41Å; Q158-Q161 PolarHBondContact O-N 2.86Å |
| 159 | E | 93.8 | Very high | 96.6 | Very high | 204 Ų | 204 | 71.3 Ų | 71.3 | 95% | 0.953 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | 130.2 | 174.6 | -172.2 | 178 | 177 | 0 | 0 | 110.5 | Q161 | E159-Q161 PolarHBondContact O-N 2.94Š|
| 160 | G | 93 | Very high | 96.5 | Very high | 72 Ų | 72 | 70.8 Ų | 70.8 | 74% | 0.742 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.2 | 7.7 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115 | Q158 | Q158-G160 PolarHBondContact O-N 2.85Š|
| 161 | Q | 96 | Very high | 96.5 | Very high | 44 Ų | 44 | 68.9 Ų | 68.9 | 21% | 0.206 | 35% | 0.349 | C | S | . | . | P | Polyproline II helix | trans | -59.6 | 140.4 | 175 | -175 | 175.3 | -22.8 | 0 | 0 | 110.7 | W9 Q158 E159 | W9-Q161 HydrophobicContact CH2-CB 4.24Å; W9-Q161 HydrophobicContact CH2-CG 4.12Å; W9-Q161 VanDerWaalsContact CH2-O 3.24Å; W9-Q161 WeakPolarHBondContact CH2-O 3.43Å; W9-Q161 WeakPolarHBondContact CZ2-O 3.35Å; W9-Q161 HydrophobicContact CZ3-CG 4.17Å; Q158-Q161 HydrophobicContact CB-CB 4.27Å; Q158-Q161 WeakPolarHBondContact O-CB 3.41Å; Q158-Q161 PolarHBondContact O-N 2.86Å; E159-Q161 PolarHBondContact O-N 2.94Å |
| 162 | K | 96 | Very high | 96.5 | Very high | 169 Ų | 169 | 72.3 Ų | 72.3 | 74% | 0.735 | 36% | 0.361 | S | S | * | . | P | Polyproline II helix | trans | -100.4 | 158.9 | 175.7 | -66.2 | -173.9 | 179.2 | -175.8 | 0 | 110.8 | D164 | K162-D164 PolarHBondContact O-N 3.43Š|
| 163 | P | 97 | Very high | 96.5 | Very high | 42 Ų | 42 | 78.1 Ų | 78.1 | 27% | 0.273 | 39% | 0.387 | S | S | . | . | P | Polyproline II helix | trans | -51.8 | 135.9 | 171.5 | -17.8 | 22.2 | 0 | 0 | 0 | 112 | W9 Y146 F165 | W9-P163 HydrophobicContact CB-CB 4.36Å; W9-P163 HydrophobicContact CD2-CB 3.87Å; W9-P163 HydrophobicContact CD2-CG 3.89Å; W9-P163 HydrophobicContact CE3-CB 4.37Å; W9-P163 HydrophobicContact CG-CB 3.85Å; W9-P163 HydrophobicContact CG-CG 3.93Å; W9-P163 HydrophobicContact CZ2-CG 4.29Å; Y146-P163 HydrophobicContact CD1-CB 3.98Å; Y146-P163 HydrophobicContact CD1-CG 4.01Å; Y146-P163 HydrophobicContact CD2-CB 4.25Å; Y146-P163 HydrophobicContact CD2-CG 3.41Å; Y146-P163 VanDerWaalsContact CD2-CG 3.41Å; Y146-P163 HydrophobicContact CE1-CG 4.4Å; Y146-P163 HydrophobicContact CE2-CG 3.84Å; Y146-P163 HydrophobicContact CG-CB 3.82Å; Y146-P163 HydrophobicContact CG-CG 3.49Å; Y146-P163 VanDerWaalsContact CG-CG 3.49Å; P163-F165 HydrophobicContact CB-CE1 4.28Å |
| 164 | D | 97.5 | Very high | 96.6 | Very high | 27 Ų | 27 | 76.6 Ų | 76.6 | 14% | 0.144 | 38% | 0.377 | C | S | . | . | trans | -144.5 | 101.8 | 173.8 | -175.9 | -13.3 | 0 | 0 | 0 | 109.4 | R93 R94 K162 H166 R167 | R93-D164 IonicContact CZ-OD2 3.78Å; R93-D164 IonicContact NH2-OD1 3.87Å; R93-D164 IonicContact NH2-OD2 2.65Å; R93-D164 PolarHBondContact NH2-OD2 2.9Å; R94-D164 IonicContact CZ-OD1 3.36Å; R94-D164 IonicContact CZ-OD2 3.27Å; R94-D164 IonicContact NH1-OD2 3.21Å; R94-D164 PolarHBondContact NH1-OD2 3.3Å; R94-D164 IonicContact NH2-OD1 2.77Å; R94-D164 PolarHBondContact NH2-OD1 3.17Å; R94-D164 IonicContact NH2-OD2 2.87Å; R94-D164 PolarHBondContact NH2-OD2 2.85Å; K162-D164 PolarHBondContact O-N 3.43Å; D164-H166 PolarHBondContact O-N 2.83Å; D164-H166 PolarHBondContact OD1-N 2.9Å; D164-R167 HydrophobicContact CB-CG 3.95Å; D164-R167 WeakPolarHBondContact O-CG 3.42Å; D164-R167 PolarHBondContact O-N 2.94Å | ||
| 165 | F | 98.1 | Very high | 96.6 | Very high | 23 Ų | 23 | 74.7 Ų | 74.7 | 10% | 0.101 | 37% | 0.371 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.4 | -9.6 | -177.5 | -63.9 | -10 | 0 | 0 | 0 | 113.4 | W9 E63 F65 F135 I137 Y146 P163 R167 F171 | W9-F165 HydrophobicContact CB-CE1 4.03Å; E63-F165 WeakPolarHBondContact OE2-CD2 3.36Å; F65-F165 HydrophobicContact CZ-CB 4.37Å; F135-F165 HydrophobicContact CB-CD2 3.7Å; F135-F165 HydrophobicContact CB-CE1 4.43Å; F135-F165 HydrophobicContact CB-CE2 3.4Å; F135-F165 VanDerWaalsContact CB-CE2 3.4Å; F135-F165 HydrophobicContact CB-CG 4.31Å; F135-F165 HydrophobicContact CB-CZ 3.81Å; F135-F165 HydrophobicContact CD1-CB 4.25Å; F135-F165 AromaticContact CD1-CD1 3.44Å; F135-F165 HydrophobicContact CD1-CD1 3.44Å; F135-F165 VanDerWaalsContact CD1-CD1 3.44Å; F135-F165 AromaticContact CD1-CD2 3.9Å; F135-F165 HydrophobicContact CD1-CD2 3.9Å; F135-F165 AromaticContact CD1-CE1 3.58Å; F135-F165 HydrophobicContact CD1-CE1 3.58Å; F135-F165 AromaticContact CD1-CE2 3.99Å; F135-F165 HydrophobicContact CD1-CE2 3.99Å; F135-F165 AromaticContact CD1-CG 3.61Å; F135-F165 HydrophobicContact CD1-CG 3.61Å; F135-F165 AromaticContact CD1-CZ 3.84Å; F135-F165 HydrophobicContact CD1-CZ 3.84Å; F135-F165 HydrophobicContact CD2-CB 4.01Å; F135-F165 AromaticContact CD2-CD2 3.92Å; F135-F165 HydrophobicContact CD2-CD2 3.92Å; F135-F165 HydrophobicContact CD2-CE2 4.48Å; F135-F165 AromaticContact CD2-CG 3.96Å; F135-F165 HydrophobicContact CD2-CG 3.96Å; F135-F165 HydrophobicContact CE1-CB 4.03Å; F135-F165 AromaticContact CE1-CD1 3.57Å; F135-F165 HydrophobicContact CE1-CD1 3.57Å; F135-F165 HydrophobicContact CE1-CD2 4.49Å; F135-F165 HydrophobicContact CE1-CE1 4.1Å; F135-F165 AromaticContact CE1-CG 3.79Å; F135-F165 HydrophobicContact CE1-CG 3.79Å; F135-F165 HydrophobicContact CE2-CB 3.76Å; F135-F165 HydrophobicContact CE2-CG 4.13Å; F135-F165 HydrophobicContact CG-CB 4.24Å; F135-F165 HydrophobicContact CG-CD1 4.01Å; F135-F165 AromaticContact CG-CD2 3.56Å; F135-F165 HydrophobicContact CG-CD2 3.56Å; F135-F165 HydrophobicContact CG-CE1 4.19Å; F135-F165 AromaticContact CG-CE2 3.73Å; F135-F165 HydrophobicContact CG-CE2 3.73Å; F135-F165 AromaticContact CG-CG 3.69Å; F135-F165 HydrophobicContact CG-CG 3.69Å; F135-F165 HydrophobicContact CG-CZ 4.04Å; F135-F165 HydrophobicContact CZ-CB 3.76Å; F135-F165 HydrophobicContact CZ-CD1 4.21Å; F135-F165 HydrophobicContact CZ-CG 4.03Å; I137-F165 HydrophobicContact CD1-CD2 4.41Å; I137-F165 HydrophobicContact CD1-CE2 3.63Å; I137-F165 HydrophobicContact CD1-CZ 4.41Å; I137-F165 HydrophobicContact CG1-CE2 3.68Å; I137-F165 HydrophobicContact CG1-CZ 4.2Å; Y146-F165 HydrophobicContact CD1-CE2 4.48Å; Y146-F165 AromaticContact CD1-CZ 3.92Å; Y146-F165 HydrophobicContact CD1-CZ 3.92Å; Y146-F165 HydrophobicContact CG-CZ 4.39Å; P163-F165 HydrophobicContact CB-CE1 4.28Å; F165-R167 VanDerWaalsContact C-N 3.29Å; F165-R167 PolarHBondContact O-N 3.4Å; F165-F171 WeakPolarHBondContact O-CE1 3.37Å |
| 166 | H | 98 | Very high | 96.6 | Very high | 32 Ų | 32 | 67.4 Ų | 67.4 | 15% | 0.148 | 34% | 0.337 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93 | 22.1 | 174.4 | -55.1 | -80.9 | 0 | 0 | 0 | 113 | F65 Y74 E76 R93 R94 D164 L168 | F65-H166 AromaticContact CE1-CE1 3.85Å; F65-H166 AromaticContact CE1-ND1 3.75Å; Y74-H166 AromaticContact CE2-ND1 3.72Å; Y74-H166 AromaticContact CZ-ND1 3.83Å; Y74-H166 PolarHBondContact OH-ND1 3.36Å; Y74-H166 VanDerWaalsContact OH-ND1 3.14Å; E76-H166 IonicContact OE1-CE1 3.52Å; E76-H166 IonicContact OE2-CE1 2.85Å; E76-H166 PolarHBondContact OE2-CE1 2.97Å; E76-H166 VanDerWaalsContact OE2-CE1 3.27Å; R93-H166 WeakPolarHBondContact CD-O 3.44Å; R93-H166 HydrophobicContact CG-CB 4.01Å; R93-H166 PolarHBondContact NE-O 2.88Å; R94-H166 HydrophobicContact CG-CB 4.07Å; D164-H166 PolarHBondContact O-N 2.83Å; D164-H166 PolarHBondContact OD1-N 2.9Å; H166-L168 PolarHBondContact O-N 2.83Å |
| 167 | R | 97.3 | Very high | 96.5 | Very high | 41 Ų | 41 | 68.1 Ų | 68.1 | 16% | 0.155 | 34% | 0.339 | C | S | . | . | trans | -76 | 73.7 | 165.8 | -63.8 | -72.3 | -57.6 | -92.6 | 0.1 | 109.4 | D164 F165 E169 F170 | D164-R167 HydrophobicContact CB-CG 3.95Å; D164-R167 WeakPolarHBondContact O-CG 3.42Å; D164-R167 PolarHBondContact O-N 2.94Å; F165-R167 VanDerWaalsContact C-N 3.29Å; F165-R167 PolarHBondContact O-N 3.4Å; R167-E169 VanDerWaalsContact CA-OE2 3.28Å; R167-E169 WeakPolarHBondContact CA-OE2 3.48Å; R167-E169 IonicContact CZ-OE1 3.19Å; R167-E169 IonicContact NE-OE1 2.7Å; R167-E169 PolarHBondContact NE-OE1 3.32Å; R167-E169 IonicContact NE-OE2 3.86Å; R167-E169 IonicContact NH2-OE1 2.8Å; R167-E169 PolarHBondContact NH2-OE1 2.76Å; R167-E169 PolarHBondContact O-N 3.35Å; R167-E169 VanDerWaalsContact O-N 3.1Å; R167-F170 HydrophobicContact CB-CD2 3.5Å; R167-F170 HydrophobicContact CB-CE2 3.82Å; R167-F170 HydrophobicContact CG-CD2 4.32Å; R167-F170 HydrophobicContact CG-CE2 4.22Å; R167-F170 VanDerWaalsContact CZ-CE2 3.41Å; R167-F170 VanDerWaalsContact NH2-CE2 3.28Å; R167-F170 PolarHBondContact O-N 2.9Å; R167-F170 VanDerWaalsContact O-N 3.09Å | ||
| 168 | L | 98.1 | Very high | 96.3 | Very high | 18 Ų | 18 | 68 Ų | 68 | 9% | 0.094 | 35% | 0.35 | C | S | . | . | G | 310 helix | trans | -56.8 | -27.3 | -172.1 | -55.8 | -175.4 | 0 | 0 | 0 | 113.2 | L67 Y74 R93 H166 F170 F171 | L67-L168 HydrophobicContact CD1-CD1 4.15Å; L67-L168 HydrophobicContact CD2-CB 3.93Å; L67-L168 HydrophobicContact CD2-CD2 4.34Å; L67-L168 HydrophobicContact CD2-CG 4.49Å; Y74-L168 HydrophobicContact CD1-CD1 4.22Å; Y74-L168 HydrophobicContact CD1-CD2 4.3Å; Y74-L168 HydrophobicContact CE1-CD1 3.9Å; Y74-L168 HydrophobicContact CE1-CD2 4.08Å; R93-L168 HydrophobicContact CB-CD1 4.41Å; H166-L168 PolarHBondContact O-N 2.83Å; L168-F170 PolarHBondContact O-N 2.96Å; L168-F171 HydrophobicContact CD2-CE1 4.33Å; L168-F171 HydrophobicContact CD2-CE2 3.83Å; L168-F171 HydrophobicContact CD2-CZ 3.75Å; L168-F171 WeakPolarHBondContact O-CB 3.37Å; L168-F171 PolarHBondContact O-N 3.46Å; L168-F171 VanDerWaalsContact O-N 3.14Å |
| 169 | E | 97.4 | Very high | 96.2 | Very high | 107 Ų | 107 | 62.6 Ų | 62.6 | 50% | 0.5 | 33% | 0.325 | S | S | . | . | G | 310 helix | trans | -61.7 | -22 | 178.5 | 65.7 | -92 | -142 | 0 | 0 | 113.8 | R167 | R167-E169 VanDerWaalsContact CA-OE2 3.28Å; R167-E169 WeakPolarHBondContact CA-OE2 3.48Å; R167-E169 IonicContact CZ-OE1 3.19Å; R167-E169 IonicContact NE-OE1 2.7Å; R167-E169 PolarHBondContact NE-OE1 3.32Å; R167-E169 IonicContact NE-OE2 3.86Å; R167-E169 IonicContact NH2-OE1 2.8Å; R167-E169 PolarHBondContact NH2-OE1 2.76Å; R167-E169 PolarHBondContact O-N 3.35Å; R167-E169 VanDerWaalsContact O-N 3.1Å |
| 170 | F | 97.8 | Very high | 96.1 | Very high | 11 Ų | 11 | 55 Ų | 55 | 5% | 0.048 | 29% | 0.29 | C | S | . | . | G | 310 helix | trans | -89.2 | -8.4 | 179.1 | -59.4 | -48.9 | 0 | 0 | 0 | 114.1 | V152 P153 E156 R167 L168 K172 | V152-F170 HydrophobicContact CB-CD2 4.29Å; V152-F170 HydrophobicContact CB-CE2 3.95Å; V152-F170 HydrophobicContact CB-CZ 4.5Å; V152-F170 HydrophobicContact CG1-CD2 4.41Å; V152-F170 HydrophobicContact CG1-CE2 3.59Å; V152-F170 HydrophobicContact CG1-CZ 3.79Å; V152-F170 HydrophobicContact CG2-CD2 3.79Å; V152-F170 HydrophobicContact CG2-CE2 3.63Å; P153-F170 HydrophobicContact CG-CD1 4.32Å; P153-F170 HydrophobicContact CG-CE1 4.11Å; E156-F170 HydrophobicContact CB-CZ 4.39Å; E156-F170 WeakPolarHBondContact OE1-CE1 3.41Å; E156-F170 WeakPolarHBondContact OE2-CE1 3.39Å; E156-F170 WeakPolarHBondContact OE2-CZ 3.33Å; R167-F170 HydrophobicContact CB-CD2 3.5Å; R167-F170 HydrophobicContact CB-CE2 3.82Å; R167-F170 HydrophobicContact CG-CD2 4.32Å; R167-F170 HydrophobicContact CG-CE2 4.22Å; R167-F170 VanDerWaalsContact CZ-CE2 3.41Å; R167-F170 VanDerWaalsContact NH2-CE2 3.28Å; R167-F170 PolarHBondContact O-N 2.9Å; R167-F170 VanDerWaalsContact O-N 3.09Å; L168-F170 PolarHBondContact O-N 2.96Å; F170-K172 WeakPolarHBondContact O-CE 3.22Å; F170-K172 PolarHBondContact O-N 2.73Å |
| 171 | F | 98.5 | Very high | 96 | Very high | 4 Ų | 4 | 53.3 Ų | 53.3 | 2% | 0.018 | 27% | 0.273 | C | S | . | . | P | Polyproline II helix | trans | -66.9 | 137.6 | 179.6 | -68.4 | 21.3 | 0 | 0 | 0 | 109.3 | F65 L67 K131 N133 F135 F165 L168 | F65-F171 HydrophobicContact CB-CD2 4.29Å; F65-F171 HydrophobicContact CB-CE2 3.36Å; F65-F171 HydrophobicContact CB-CZ 3.68Å; F65-F171 HydrophobicContact CD1-CE2 4.08Å; F65-F171 AromaticContact CD1-CZ 3.85Å; F65-F171 HydrophobicContact CD1-CZ 3.85Å; F65-F171 AromaticContact CG-CE2 3.98Å; F65-F171 HydrophobicContact CG-CE2 3.98Å; F65-F171 AromaticContact CG-CZ 3.81Å; F65-F171 HydrophobicContact CG-CZ 3.81Å; L67-F171 HydrophobicContact CB-CD2 3.82Å; L67-F171 HydrophobicContact CB-CE2 4.17Å; L67-F171 HydrophobicContact CD2-CB 4.28Å; L67-F171 HydrophobicContact CD2-CD2 3.65Å; L67-F171 HydrophobicContact CD2-CE2 4.26Å; L67-F171 HydrophobicContact CD2-CG 4.21Å; L67-F171 HydrophobicContact CG-CD2 4.39Å; K131-F171 HydrophobicContact CB-CB 3.99Å; N133-F171 HydrophobicContact CB-CD1 3.57Å; N133-F171 HydrophobicContact CB-CD2 4.25Å; N133-F171 HydrophobicContact CB-CE1 3.74Å; N133-F171 HydrophobicContact CB-CE2 4.43Å; N133-F171 HydrophobicContact CB-CG 3.84Å; N133-F171 HydrophobicContact CB-CZ 4.17Å; F135-F171 HydrophobicContact CE2-CE1 4.44Å; F135-F171 HydrophobicContact CZ-CE1 4.14Å; F165-F171 WeakPolarHBondContact O-CE1 3.37Å; L168-F171 HydrophobicContact CD2-CE1 4.33Å; L168-F171 HydrophobicContact CD2-CE2 3.83Å; L168-F171 HydrophobicContact CD2-CZ 3.75Å; L168-F171 WeakPolarHBondContact O-CB 3.37Å; L168-F171 PolarHBondContact O-N 3.46Å; L168-F171 VanDerWaalsContact O-N 3.14Å |
| 172 | K | 98.4 | Very high | 95.8 | Very high | 104 Ų | 104 | 57.5 Ų | 57.5 | 45% | 0.452 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 166.7 | -175.5 | -57.3 | -60 | 179 | -171.5 | 0 | 111.1 | K131 F132 H150 F170 L174 | K131-K172 CarbonylContact C-O 3.57Å; K131-K172 VanDerWaalsContact CA-O 3.23Å; K131-K172 WeakPolarHBondContact CA-O 3.45Å; F132-K172 PolarHBondContact N-O 2.86Å; F132-K172 PolarHBondContact O-N 2.87Å; H150-K172 HydrophobicContact CB-CG 4.05Å; H150-K172 WeakPolarHBondContact CD2-CG 3.44Å; H150-K172 WeakPolarHBondContact NE2-CB 3.38Å; F170-K172 WeakPolarHBondContact O-CE 3.22Å; F170-K172 PolarHBondContact O-N 2.73Å; K172-L174 PolarHBondContact O-N 3.3Å |
| 173 | Q | 98.1 | Very high | 95.6 | Very high | 130 Ų | 130 | 57.1 Ų | 57.1 | 61% | 0.607 | 30% | 0.299 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -61.2 | 131.7 | -177.1 | -67.3 | -63.6 | -11.8 | 0 | 0 | 110.9 | N130 | N130-Q173 WeakPolarHBondContact O-CA 3.27Å; N130-Q173 PolarHBondContact O-OE1 3.46Å; N130-Q173 VanDerWaalsContact O-OE1 3.12Å |
| 174 | L | 97.8 | Very high | 95.4 | Very high | 10 Ų | 10 | 57.4 Ų | 57.4 | 5% | 0.052 | 29% | 0.294 | C | S | . | . | trans | -112.1 | 113.1 | 172.1 | -176.9 | 67.9 | 0 | 0 | 0 | 108.8 | M1 F3 L23 F66 T129 N130 F132 K172 L176 | M1-L174 HydrophobicContact SD-CD1 4.35Å; F3-L174 HydrophobicContact CZ-CD1 4Å; L23-L174 HydrophobicContact CD1-CD1 4.04Å; F66-L174 HydrophobicContact CD1-CD2 3.73Å; F66-L174 HydrophobicContact CE1-CD2 4.09Å; T129-L174 HydrophobicContact CG2-CD2 4.29Å; N130-L174 PolarHBondContact O-N 2.83Å; F132-L174 HydrophobicContact CB-CB 3.76Å; F132-L174 HydrophobicContact CB-CD1 3.93Å; F132-L174 HydrophobicContact CB-CD2 4.09Å; F132-L174 HydrophobicContact CB-CG 4.12Å; F132-L174 HydrophobicContact CD2-CD2 4.42Å; F132-L174 HydrophobicContact CG-CD1 4.18Å; K172-L174 PolarHBondContact O-N 3.3Å; L174-L176 HydrophobicContact CD2-CD1 4.4Å; L174-L176 HydrophobicContact CD2-CD2 3.8Å; L174-L176 HydrophobicContact CD2-CG 3.92Å; L174-L176 HydrophobicContact CG-CD2 4.11Å; L174-L176 HydrophobicContact CG-CG 4.13Å; L174-L176 PolarHBondContact O-N 3.46Å | ||
| 175 | N | 94.6 | Very high | 95.1 | Very high | 88 Ų | 88 | 64.6 Ų | 64.6 | 47% | 0.471 | 33% | 0.325 | S | S | . | . | trans | -95.4 | 80.2 | 178.6 | -176.2 | 8.5 | 0 | 0 | 0 | 111.6 | M1 K177 G178 | M1-N175 HydrophobicContact CE-CB 4.29Å; M1-N175 WeakPolarHBondContact CE-O 3.13Å; N175-K177 PolarHBondContact O-N 2.85Å; N175-K177 WeakPolarHBondContact OD1-CB 3.37Å; N175-K177 PolarHBondContact OD1-N 3.02Å; N175-G178 PolarHBondContact O-N 2.81Å; N175-G178 PolarHBondContact OD1-N 2.81Å; N175-G178 VanDerWaalsContact OD1-N 3.16Å | ||
| 176 | L | 94.1 | Very high | 94.8 | Very high | 7 Ų | 7 | 65.5 Ų | 65.5 | 4% | 0.037 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -60.1 | -27 | 178 | -69.3 | 176.5 | 0 | 0 | 0 | 113.4 | L30 W122 T129 L174 L179 M180 W184 | L30-L176 HydrophobicContact CD1-CD2 4.42Å; L30-L176 HydrophobicContact CD2-CD2 4.35Å; W122-L176 HydrophobicContact CH2-CD1 4.3Å; W122-L176 HydrophobicContact CZ3-CD1 4.08Å; T129-L176 HydrophobicContact CG2-CD1 4.31Å; L174-L176 HydrophobicContact CD2-CD1 4.4Å; L174-L176 HydrophobicContact CD2-CD2 3.8Å; L174-L176 HydrophobicContact CD2-CG 3.92Å; L174-L176 HydrophobicContact CG-CD2 4.11Å; L174-L176 HydrophobicContact CG-CG 4.13Å; L174-L176 PolarHBondContact O-N 3.46Å; L176-L179 WeakPolarHBondContact O-CB 3.27Å; L176-L179 PolarHBondContact O-N 2.84Å; L176-L179 VanDerWaalsContact O-N 3.13Å; L176-M180 WeakPolarHBondContact O-CB 3.38Å; L176-M180 VanDerWaalsContact O-CG 3.26Å; L176-M180 WeakPolarHBondContact O-CG 3.41Å; L176-M180 PolarHBondContact O-N 3.23Å; L176-W184 HydrophobicContact CB-CE3 4.41Å; L176-W184 HydrophobicContact CB-CH2 4.1Å; L176-W184 HydrophobicContact CB-CZ3 3.62Å; L176-W184 HydrophobicContact CD1-CH2 4.06Å; L176-W184 HydrophobicContact CD1-CZ3 4.26Å |
| 177 | K | 93.1 | Very high | 94.5 | Very high | 97 Ų | 97 | 66.5 Ų | 66.5 | 42% | 0.422 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -66.5 | -36.8 | 174.3 | -68.5 | -175.7 | 172.3 | -167.4 | 0 | 112.7 | N175 L179 M180 G181 W184 | N175-K177 PolarHBondContact O-N 2.85Å; N175-K177 WeakPolarHBondContact OD1-CB 3.37Å; N175-K177 PolarHBondContact OD1-N 3.02Å; K177-L179 PolarHBondContact O-N 2.93Å; K177-M180 PolarHBondContact O-N 2.71Å; K177-G181 CarbonylContact O-C 3.51Å; K177-G181 VanDerWaalsContact O-CA 3.26Å; K177-G181 WeakPolarHBondContact O-CA 3.34Å; K177-G181 PolarHBondContact O-N 3.25Å; K177-W184 HydrophobicContact CG-CE3 4.4Å |
| 178 | G | 92.2 | Very high | 94.2 | Very high | 46 Ų | 46 | 71.4 Ų | 71.4 | 47% | 0.474 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -60.9 | -24.3 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | N175 | N175-G178 PolarHBondContact O-N 2.81Å; N175-G178 PolarHBondContact OD1-N 2.81Å; N175-G178 VanDerWaalsContact OD1-N 3.16Å |
| 179 | L | 92.7 | Very high | 93.9 | Very high | 38 Ų | 38 | 70.8 Ų | 70.8 | 20% | 0.199 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -89.8 | -42 | 175.5 | -177.3 | 63.2 | 0 | 0 | 0 | 113 | M1 L23 L30 L176 K177 | M1-L179 HydrophobicContact CE-CB 4.2Å; M1-L179 HydrophobicContact CG-CB 4.39Å; M1-L179 HydrophobicContact CG-CD1 4.32Å; M1-L179 HydrophobicContact SD-CB 4.36Å; L23-L179 HydrophobicContact CB-CD2 4.01Å; L23-L179 WeakPolarHBondContact O-CD1 3.37Å; L30-L179 HydrophobicContact CD1-CD2 3.51Å; L176-L179 WeakPolarHBondContact O-CB 3.27Å; L176-L179 PolarHBondContact O-N 2.84Å; L176-L179 VanDerWaalsContact O-N 3.13Å; K177-L179 PolarHBondContact O-N 2.93Å |
| 180 | M | 92 | Very high | 93.6 | Very high | 45 Ų | 45 | 71.1 Ų | 71.1 | 22% | 0.222 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -96 | -11 | -170.6 | -57.2 | -60.6 | -67.6 | 0 | 0 | 113.9 | S25 W122 L176 K177 W184 | S25-M180 VanDerWaalsContact CB-SD 3.55Å; W122-M180 HydrophobicContact CZ2-CE 3.76Å; W122-M180 HydrophobicContact CZ2-CG 4.43Å; W122-M180 HydrophobicContact CZ2-SD 3.99Å; L176-M180 WeakPolarHBondContact O-CB 3.38Å; L176-M180 VanDerWaalsContact O-CG 3.26Å; L176-M180 WeakPolarHBondContact O-CG 3.41Å; L176-M180 PolarHBondContact O-N 3.23Å; K177-M180 PolarHBondContact O-N 2.71Å; M180-W184 HydrophobicContact CB-CB 3.65Å; M180-W184 HydrophobicContact CB-CD2 3.51Å; M180-W184 HydrophobicContact CB-CE3 4.02Å; M180-W184 HydrophobicContact CB-CG 3.34Å; M180-W184 HydrophobicContact CG-CD2 3.77Å; M180-W184 HydrophobicContact CG-CE3 4.12Å; M180-W184 HydrophobicContact CG-CG 4.11Å; M180-W184 HydrophobicContact CG-CH2 4.42Å; M180-W184 HydrophobicContact CG-CZ2 4.1Å; M180-W184 HydrophobicContact CG-CZ3 4.45Å |
| 181 | G | 92.2 | Very high | 93.4 | Very high | 37 Ų | 37 | 71.4 Ų | 71.4 | 38% | 0.381 | 36% | 0.363 | S | S | . | . | trans | 103.7 | 145.6 | -172.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | K177 N183 W184 | K177-G181 CarbonylContact O-C 3.51Å; K177-G181 VanDerWaalsContact O-CA 3.26Å; K177-G181 WeakPolarHBondContact O-CA 3.34Å; K177-G181 PolarHBondContact O-N 3.25Å; G181-N183 PolarHBondContact O-N 2.9Å; G181-N183 VanDerWaalsContact O-N 3.13Å; G181-W184 WeakPolarHBondContact O-CB 3.11Å; G181-W184 PolarHBondContact O-N 3.27Å | ||
| 182 | E | 91 | Very high | 93.2 | Very high | 131 Ų | 131 | 71.7 Ų | 71.7 | 61% | 0.612 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | -31.2 | -172.4 | -68.8 | -58 | 143.9 | 0 | 0 | 114.8 | W184 | E182-W184 VanDerWaalsContact C-N 3.3Š|
| 183 | N | 92.1 | Very high | 92.6 | Very high | 162 Ų | 162 | 71.9 Ų | 71.9 | 87% | 0.866 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.6 | -5.3 | 178.9 | -66.3 | -33.7 | 0 | 0 | 0 | 113.4 | G181 | G181-N183 PolarHBondContact O-N 2.9Å; G181-N183 VanDerWaalsContact O-N 3.13Å |
| 184 | W | 92.4 | Very high | 91.6 | Very high | 47 Ų | 47 | 69.5 Ų | 69.5 | 18% | 0.178 | 36% | 0.363 | C | S | . | . | trans | -66.9 | 139.3 | -179.5 | -179.4 | 84.4 | 0 | 0 | 0 | 111 | W122 L176 K177 M180 G181 E182 Q186 | W122-W184 HydrophobicContact CD2-CZ2 4.19Å; W122-W184 AromaticContact CE2-CZ2 3.87Å; W122-W184 HydrophobicContact CE3-CH2 4.32Å; W122-W184 HydrophobicContact CE3-CZ2 4.13Å; W122-W184 AromaticContact CH2-CH2 3.57Å; W122-W184 HydrophobicContact CH2-CH2 3.57Å; W122-W184 AromaticContact CH2-CZ2 3.45Å; W122-W184 HydrophobicContact CH2-CZ2 3.45Å; W122-W184 VanDerWaalsContact CH2-CZ2 3.45Å; W122-W184 HydrophobicContact CZ2-CH2 4.13Å; W122-W184 AromaticContact CZ2-CZ2 3.51Å; W122-W184 HydrophobicContact CZ2-CZ2 3.51Å; W122-W184 AromaticContact CZ3-CH2 3.68Å; W122-W184 HydrophobicContact CZ3-CH2 3.68Å; W122-W184 AromaticContact CZ3-CZ2 3.78Å; W122-W184 HydrophobicContact CZ3-CZ2 3.78Å; L176-W184 HydrophobicContact CB-CE3 4.41Å; L176-W184 HydrophobicContact CB-CH2 4.1Å; L176-W184 HydrophobicContact CB-CZ3 3.62Å; L176-W184 HydrophobicContact CD1-CH2 4.06Å; L176-W184 HydrophobicContact CD1-CZ3 4.26Å; K177-W184 HydrophobicContact CG-CE3 4.4Å; M180-W184 HydrophobicContact CB-CB 3.65Å; M180-W184 HydrophobicContact CB-CD2 3.51Å; M180-W184 HydrophobicContact CB-CE3 4.02Å; M180-W184 HydrophobicContact CB-CG 3.34Å; M180-W184 HydrophobicContact CG-CD2 3.77Å; M180-W184 HydrophobicContact CG-CE3 4.12Å; M180-W184 HydrophobicContact CG-CG 4.11Å; M180-W184 HydrophobicContact CG-CH2 4.42Å; M180-W184 HydrophobicContact CG-CZ2 4.1Å; M180-W184 HydrophobicContact CG-CZ3 4.45Å; G181-W184 WeakPolarHBondContact O-CB 3.11Å; G181-W184 PolarHBondContact O-N 3.27Å; E182-W184 VanDerWaalsContact C-N 3.3Å; W184-Q186 VanDerWaalsContact CH2-CA 3.41Å; W184-Q186 HydrophobicContact CH2-CB 3.65Å; W184-Q186 HydrophobicContact CH2-CG 3.91Å; W184-Q186 HydrophobicContact CZ2-CB 4.25Å; W184-Q186 HydrophobicContact CZ2-CG 4.45Å; W184-Q186 HydrophobicContact CZ3-CB 3.98Å | ||
| 185 | K | 91.5 | Very high | 90.2 | Very high | 179 Ų | 179 | 70.9 Ų | 70.9 | 78% | 0.778 | 37% | 0.372 | S | S | * | . | trans | -118.4 | 136.2 | 170.2 | -64.5 | -177.4 | -178.8 | 179.4 | 0 | 107.4 | P187 | K185-P187 WeakPolarHBondContact O-CD 3.36Š| ||
| 186 | Q | 91.4 | Very high | 88.2 | Confident | 42 Ų | 42 | 72.5 Ų | 72.5 | 20% | 0.196 | 39% | 0.385 | C | S | . | . | P | Polyproline II helix | trans | -56.3 | 126.4 | 174.2 | -171.8 | -176.6 | -24.5 | 0 | 0 | 109.3 | W122 P126 W184 | W122-Q186 HydrophobicContact CE3-CG 4.4Å; P126-Q186 PolarHBondContact O-NE2 3.18Å; W184-Q186 VanDerWaalsContact CH2-CA 3.41Å; W184-Q186 HydrophobicContact CH2-CB 3.65Å; W184-Q186 HydrophobicContact CH2-CG 3.91Å; W184-Q186 HydrophobicContact CZ2-CB 4.25Å; W184-Q186 HydrophobicContact CZ2-CG 4.45Å; W184-Q186 HydrophobicContact CZ3-CB 3.98Å |
| 187 | P | 92.1 | Very high | 86 | Confident | 52 Ų | 52 | 83.6 Ų | 83.6 | 34% | 0.338 | 44% | 0.444 | S | S | . | . | P | Polyproline II helix | trans | -56.8 | 147.6 | 173.5 | -26.2 | 35.8 | 0 | 0 | 0 | 111.1 | W122 K185 | W122-P187 HydrophobicContact CB-CB 3.99Å; W122-P187 HydrophobicContact CB-CG 3.95Å; W122-P187 HydrophobicContact CD2-CG 4.24Å; W122-P187 HydrophobicContact CG-CB 4.31Å; W122-P187 HydrophobicContact CG-CG 3.71Å; K185-P187 WeakPolarHBondContact O-CD 3.36Å |
| 188 | E | 89.8 | Confident | 85.7 | Confident | 145 Ų | 145 | 83 Ų | 83 | 68% | 0.678 | 45% | 0.446 | S | S | * | . | P | Polyproline II helix | trans | -63.1 | 146.7 | 174.4 | -65.3 | -171.5 | 178.7 | 0 | 0 | 110.6 | K193 | E188-K193 WeakPolarHBondContact OE2-CE 3.33Å; E188-K193 IonicContact OE2-NZ 2.7Å; E188-K193 PolarHBondContact OE2-NZ 2.77Å |
| 189 | S | 92.4 | Very high | 85.3 | Confident | 5 Ų | 5 | 84.9 Ų | 84.9 | 4% | 0.035 | 44% | 0.444 | C | S | . | . | trans | -111.8 | 117.1 | 171.5 | 168.9 | 0 | 0 | 0 | 0 | 109.7 | N123 I191 W192 K193 | N123-S189 WeakPolarHBondContact O-CB 2.86Å; N123-S189 PolarHBondContact O-OG 2.88Å; N123-S189 WeakPolarHBondContact OD1-CA 3.34Å; N123-S189 PolarHBondContact OD1-OG 2.81Å; S189-I191 VanDerWaalsContact C-N 3.29Å; S189-I191 WeakPolarHBondContact OG-CG2 3.15Å; S189-I191 PolarHBondContact OG-N 3.43Å; S189-W192 PolarHBondContact OG-N 3.2Å; S189-K193 WeakPolarHBondContact O-CG 3.44Å | ||
| 190 | E | 91.9 | Very high | 84.9 | Confident | 114 Ų | 114 | 87.5 Ų | 87.5 | 53% | 0.533 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -69.8 | -30.7 | 172.7 | -62.1 | -54.7 | 134 | 0 | 0 | 111.5 | N123 W192 K193 | N123-E190 PolarHBondContact OD1-N 2.63Å; E190-W192 VanDerWaalsContact C-N 3.27Å; E190-W192 PolarHBondContact O-N 3Å; E190-K193 PolarHBondContact O-N 2.86Å; E190-K193 IonicContact OE1-NZ 2.69Å; E190-K193 PolarHBondContact OE1-NZ 2.9Å; E190-K193 WeakPolarHBondContact OE2-CD 3.38Å; E190-K193 IonicContact OE2-NZ 3.51Å |
| 191 | I | 94 | Very high | 84.5 | Confident | 16 Ų | 16 | 90 Ų | 90 | 8% | 0.082 | 47% | 0.472 | C | S | . | . | H | α-helix | trans | -61.4 | -40.5 | 179.4 | -140.5 | 162.4 | 0 | 0 | 0 | 110.3 | L89 W97 K98 L101 N123 Y124 S189 S194 | L89-I191 HydrophobicContact CD1-CD1 3.82Å; L89-I191 HydrophobicContact CD1-CG1 4.09Å; L89-I191 HydrophobicContact CD1-CG2 3.58Å; W97-I191 HydrophobicContact CH2-CB 4.44Å; W97-I191 HydrophobicContact CH2-CG1 3.99Å; W97-I191 HydrophobicContact CH2-CG2 4.13Å; W97-I191 WeakPolarHBondContact CH2-O 3.43Å; W97-I191 HydrophobicContact CZ2-CG2 4.38Å; K98-I191 HydrophobicContact CD-CD1 3.93Å; K98-I191 HydrophobicContact CD-CG1 4.18Å; K98-I191 VanDerWaalsContact NZ-CD1 3.33Å; L101-I191 HydrophobicContact CD2-CD1 4.23Å; N123-I191 WeakPolarHBondContact O-CG2 3.37Å; N123-I191 PolarHBondContact OD1-N 3.24Å; Y124-I191 HydrophobicContact CD1-CD1 4.06Å; Y124-I191 HydrophobicContact CE1-CD1 4.11Å; S189-I191 VanDerWaalsContact C-N 3.29Å; S189-I191 WeakPolarHBondContact OG-CG2 3.15Å; S189-I191 PolarHBondContact OG-N 3.43Å; I191-S194 PolarHBondContact O-OG 2.77Å |
| 192 | W | 93.3 | Very high | 84 | Confident | 10 Ų | 10 | 93.3 Ų | 93.3 | 4% | 0.038 | 48% | 0.477 | C | S | . | . | H | α-helix | trans | -81.5 | -18.4 | -176.1 | -69.6 | 110 | 0 | 0 | 0 | 112.8 | Q73 L89 L90 W97 Y124 F125 P126 P127 S189 E190 S194 V195 | Q73-W192 HydrophobicContact CB-CE3 4.16Å; Q73-W192 HydrophobicContact CB-CH2 4Å; Q73-W192 HydrophobicContact CB-CZ3 3.64Å; Q73-W192 HydrophobicContact CG-CE3 4.13Å; Q73-W192 HydrophobicContact CG-CZ3 3.74Å; L89-W192 HydrophobicContact CB-CH2 3.65Å; L89-W192 HydrophobicContact CB-CZ2 3.65Å; L89-W192 HydrophobicContact CB-CZ3 4.45Å; L89-W192 HydrophobicContact CD1-CZ2 4.15Å; L89-W192 HydrophobicContact CD2-CZ2 3.68Å; L89-W192 HydrophobicContact CG-CH2 4.5Å; L89-W192 HydrophobicContact CG-CZ2 4.01Å; L90-W192 VanDerWaalsContact O-CH2 3.28Å; L90-W192 WeakPolarHBondContact O-CH2 3.33Å; W97-W192 AromaticContact CE2-CE3 3.88Å; W97-W192 AromaticContact CE2-CZ3 3.61Å; W97-W192 AromaticContact CZ2-CD2 3.8Å; W97-W192 HydrophobicContact CZ2-CD2 3.8Å; W97-W192 AromaticContact CZ2-CE3 3.51Å; W97-W192 HydrophobicContact CZ2-CE3 3.51Å; W97-W192 HydrophobicContact CZ2-CH2 4.12Å; W97-W192 HydrophobicContact CZ2-CZ2 4.36Å; W97-W192 AromaticContact CZ2-CZ3 3.69Å; W97-W192 HydrophobicContact CZ2-CZ3 3.69Å; W97-W192 AromaticContact NE1-CE3 3.72Å; W97-W192 AromaticContact NE1-CH2 3.37Å; W97-W192 AromaticContact NE1-CZ3 2.99Å; Y124-W192 PolarHBondContact O-NE1 2.83Å; F125-W192 PolarHBondContact O-NE1 2.9Å; P126-W192 HydrophobicContact CB-CD2 4.27Å; P126-W192 HydrophobicContact CB-CH2 4.44Å; P126-W192 HydrophobicContact CB-CZ2 4.05Å; P127-W192 HydrophobicContact CG-CB 4.26Å; S189-W192 PolarHBondContact OG-N 3.2Å; E190-W192 VanDerWaalsContact C-N 3.27Å; E190-W192 PolarHBondContact O-N 3Å; W192-S194 VanDerWaalsContact C-N 3.26Å; W192-S194 PolarHBondContact O-N 2.85Å; W192-V195 HydrophobicContact CE3-CG2 3.92Å; W192-V195 HydrophobicContact CZ3-CG2 4.48Å; W192-V195 PolarHBondContact O-N 2.84Å |
| 193 | K | 86.8 | Confident | 83.6 | Confident | 109 Ų | 109 | 90.8 Ų | 90.8 | 47% | 0.474 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -67.6 | -25.6 | 173.1 | -71.7 | 175.5 | -173 | 173.4 | 0 | 112.9 | E188 S189 E190 V195 | E188-K193 WeakPolarHBondContact OE2-CE 3.33Å; E188-K193 IonicContact OE2-NZ 2.7Å; E188-K193 PolarHBondContact OE2-NZ 2.77Å; S189-K193 WeakPolarHBondContact O-CG 3.44Å; E190-K193 PolarHBondContact O-N 2.86Å; E190-K193 IonicContact OE1-NZ 2.69Å; E190-K193 PolarHBondContact OE1-NZ 2.9Å; E190-K193 WeakPolarHBondContact OE2-CD 3.38Å; E190-K193 IonicContact OE2-NZ 3.51Å; K193-V195 VanDerWaalsContact C-N 3.3Å |
| 194 | S | 76.1 | Confident | 83 | Confident | 79 Ų | 79 | 85.7 Ų | 85.7 | 55% | 0.552 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.5 | -3.3 | 178 | 60.6 | 0 | 0 | 0 | 0 | 114.2 | I191 W192 T196 | I191-S194 PolarHBondContact O-OG 2.77Å; W192-S194 VanDerWaalsContact C-N 3.26Å; W192-S194 PolarHBondContact O-N 2.85Å; S194-T196 PolarHBondContact O-N 2.79Å |
| 195 | V | 68.6 | Low | 82.2 | Confident | 39 Ų | 39 | 88.7 Ų | 88.7 | 24% | 0.236 | 46% | 0.46 | C | S | . | . | trans | -77.7 | 80.8 | 172.4 | -175.2 | 0 | 0 | 0 | 0 | 107.5 | W97 W192 K193 | W97-V195 HydrophobicContact CD2-CG2 3.72Å; W97-V195 HydrophobicContact CE3-CG2 3.92Å; W97-V195 HydrophobicContact CG-CG2 4.48Å; W97-V195 HydrophobicContact CH2-CG2 3.56Å; W97-V195 HydrophobicContact CZ2-CG2 3.34Å; W97-V195 HydrophobicContact CZ3-CG2 3.85Å; W192-V195 HydrophobicContact CE3-CG2 3.92Å; W192-V195 HydrophobicContact CZ3-CG2 4.48Å; W192-V195 PolarHBondContact O-N 2.84Å; K193-V195 VanDerWaalsContact C-N 3.3Å | ||
| 196 | T | 52.9 | Low | 81.5 | Confident | 123 Ų | 123 | 81.2 Ų | 81.2 | 76% | 0.755 | 43% | 0.433 | S | S | * | . | trans | -91 | 133.9 | 166.2 | 50.8 | 0 | 0 | 0 | 0 | 109.2 | S194 | S194-T196 PolarHBondContact O-N 2.79Š| ||
| 197 | D | 48.4 | Very low | 80.6 | Confident | 240 Ų | 240 | 84.7 Ų | 84.7 | 100% | 1.283 | 46% | 0.455 | S | S | * | . | trans | -43.9 | 0 | -178.8 | -64.4 | -47.9 | 0 | 0 | 0 | 115.4 |
Retrieved 197 of 197 residues in 67.6 ms
(Link to these results)