| 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 | 44.1 | Very low | 88 | Confident | 239 Ų | 239 | 74.1 Ų | 74.1 | 100% | 1.177 | 38% | 0.38 | S | S | * | . | 0 | 135 | 0 | -69.6 | 175.7 | -175.9 | 0 | 0 | 107.9 | V3 | M1-V3 PolarHBondContact O-N 2.96Š| |||
| 2 | K | 68.2 | Low | 88.8 | Confident | 207 Ų | 207 | 79.3 Ų | 79.3 | 90% | 0.9 | 39% | 0.391 | S | S | * | . | trans | -64.8 | 129.7 | 169 | -79.4 | -179.3 | 177.2 | 174.3 | 0 | 107.7 | T4 | K2-T4 PolarHBondContact O-N 3.32Š| ||
| 3 | V | 79.7 | Confident | 89.6 | Confident | 91 Ų | 91 | 76.1 Ų | 76.1 | 55% | 0.552 | 38% | 0.378 | S | S | * | . | trans | -64.1 | 128.4 | 177.4 | 178.1 | 0 | 0 | 0 | 0 | 108.6 | M1 W5 | M1-V3 PolarHBondContact O-N 2.96Å; V3-W5 HydrophobicContact CB-CZ2 4.33Å; V3-W5 HydrophobicContact CG1-CD2 3.95Å; V3-W5 HydrophobicContact CG1-CE3 4.07Å; V3-W5 HydrophobicContact CG1-CH2 3.99Å; V3-W5 HydrophobicContact CG1-CZ2 3.88Å; V3-W5 HydrophobicContact CG1-CZ3 4.08Å | ||
| 4 | T | 90.8 | Very high | 90.2 | Very high | 103 Ų | 103 | 70.6 Ų | 70.6 | 63% | 0.632 | 35% | 0.351 | S | S | * | . | trans | -88 | 115.1 | 171.6 | -56.6 | 0 | 0 | 0 | 0 | 108.9 | K2 T6 N9 | K2-T4 PolarHBondContact O-N 3.32Å; T4-T6 HydrophobicContact CG2-CG2 4.26Å; T4-T6 PolarHBondContact O-N 3.12Å; T4-T6 VanDerWaalsContact O-N 3.12Å; T4-N9 PolarHBondContact O-ND2 2.93Å | ||
| 5 | W | 96.8 | Very high | 90.8 | Very high | 36 Ų | 36 | 66.5 Ų | 66.5 | 14% | 0.136 | 33% | 0.332 | C | S | . | . | trans | -85.7 | 74.3 | -178.7 | -66.7 | 120.7 | 0 | 0 | 0 | 112.6 | V3 N9 V10 T13 F124 L238 Q239 | V3-W5 HydrophobicContact CB-CZ2 4.33Å; V3-W5 HydrophobicContact CG1-CD2 3.95Å; V3-W5 HydrophobicContact CG1-CE3 4.07Å; V3-W5 HydrophobicContact CG1-CH2 3.99Å; V3-W5 HydrophobicContact CG1-CZ2 3.88Å; V3-W5 HydrophobicContact CG1-CZ3 4.08Å; W5-N9 HydrophobicContact CE3-CB 4.43Å; W5-V10 HydrophobicContact CB-CG2 4.35Å; W5-V10 HydrophobicContact CE3-CG2 4.07Å; W5-T13 HydrophobicContact CH2-CG2 4.11Å; W5-T13 HydrophobicContact CZ3-CG2 4.11Å; W5-F124 HydrophobicContact CD2-CD1 4.31Å; W5-F124 HydrophobicContact CE3-CD1 4.04Å; W5-F124 AromaticContact CE3-CE1 3.96Å; W5-F124 HydrophobicContact CE3-CE1 3.96Å; W5-F124 AromaticContact CH2-CD1 3.49Å; W5-F124 HydrophobicContact CH2-CD1 3.49Å; W5-F124 VanDerWaalsContact CH2-CD1 3.49Å; W5-F124 AromaticContact CH2-CE1 3.78Å; W5-F124 HydrophobicContact CH2-CE1 3.78Å; W5-F124 AromaticContact CZ2-CD1 3.76Å; W5-F124 HydrophobicContact CZ2-CD1 3.76Å; W5-F124 HydrophobicContact CZ2-CE1 4.46Å; W5-F124 AromaticContact CZ3-CD1 3.63Å; W5-F124 HydrophobicContact CZ3-CD1 3.63Å; W5-F124 AromaticContact CZ3-CE1 3.48Å; W5-F124 HydrophobicContact CZ3-CE1 3.48Å; W5-F124 VanDerWaalsContact CZ3-CE1 3.48Å; W5-L238 HydrophobicContact CB-CB 3.65Å; W5-L238 HydrophobicContact CB-CD1 4.23Å; W5-L238 HydrophobicContact CD2-CD1 4.07Å; W5-L238 HydrophobicContact CE3-CD1 4.34Å; W5-L238 HydrophobicContact CG-CB 3.79Å; W5-L238 HydrophobicContact CG-CD1 4.03Å; W5-L238 HydrophobicContact CG-CD2 4.46Å; W5-L238 HydrophobicContact CG-CG 4.31Å; W5-Q239 WeakPolarHBondContact O-CG 3.34Å; W5-Q239 PolarHBondContact O-NE2 3.12Å | ||
| 6 | T | 97.8 | Very high | 91.3 | Very high | 48 Ų | 48 | 72.7 Ų | 72.7 | 29% | 0.294 | 35% | 0.35 | S | S | . | . | trans | -70.9 | 154.7 | 162.9 | 62.6 | 0 | 0 | 0 | 0 | 110.1 | T4 D8 N9 V10 D248 | T4-T6 HydrophobicContact CG2-CG2 4.26Å; T4-T6 PolarHBondContact O-N 3.12Å; T4-T6 VanDerWaalsContact O-N 3.12Å; T6-D8 PolarHBondContact O-N 2.85Å; T6-D8 VanDerWaalsContact O-N 3.16Å; T6-N9 WeakPolarHBondContact O-CA 3.5Å; T6-N9 WeakPolarHBondContact O-CB 3.29Å; T6-N9 PolarHBondContact O-N 3.04Å; T6-N9 PolarHBondContact OG1-N 3.28Å; T6-N9 PolarHBondContact OG1-ND2 3.09Å; T6-V10 WeakPolarHBondContact O-CG2 3.45Å; T6-V10 PolarHBondContact O-N 3.05Å; T6-D248 WeakPolarHBondContact CA-OD2 3.42Å; T6-D248 WeakPolarHBondContact CB-OD2 3.43Å | ||
| 7 | A | 98.2 | Very high | 91.7 | Very high | 2 Ų | 2 | 69.9 Ų | 69.9 | 2% | 0.017 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -55 | -35.4 | 177 | 0 | 0 | 0 | 0 | 0 | 112.3 | V10 R11 D248 L249 | A7-V10 PolarHBondContact O-N 2.91Å; A7-R11 WeakPolarHBondContact O-CG 3.23Å; A7-R11 PolarHBondContact O-N 3.45Å; A7-D248 PolarHBondContact N-OD1 3.27Å; A7-D248 PolarHBondContact N-OD2 2.89Å; A7-L249 HydrophobicContact CB-CD1 3.87Å; A7-L249 HydrophobicContact CB-CD2 3.51Å; A7-L249 HydrophobicContact CB-CG 3.56Å |
| 8 | D | 97.8 | Very high | 92.1 | Very high | 37 Ų | 37 | 66.1 Ų | 66.1 | 20% | 0.198 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -63 | -42.4 | 173 | -86.2 | -3.7 | 0 | 0 | 0 | 113.8 | T6 V10 R11 R12 S345 | T6-D8 PolarHBondContact O-N 2.85Å; T6-D8 VanDerWaalsContact O-N 3.16Å; D8-V10 VanDerWaalsContact C-N 3.32Å; D8-R11 IonicContact OD1-NH1 3.78Å; D8-R11 PolarHBondContact OD1-NH1 3.33Å; D8-R12 WeakPolarHBondContact O-CB 3.09Å; D8-R12 WeakPolarHBondContact O-CG 3.26Å; D8-R12 PolarHBondContact O-N 2.74Å; D8-S345 PolarHBondContact OD1-OG 3.28Å; D8-S345 VanDerWaalsContact OD1-OG 3.12Å; D8-S345 WeakPolarHBondContact OD2-CB 3.26Å; D8-S345 PolarHBondContact OD2-OG 3.45Å |
| 9 | N | 98 | Very high | 92.4 | Very high | 47 Ų | 47 | 67.5 Ų | 67.5 | 25% | 0.251 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -66.2 | -37.4 | 173.7 | -78.9 | -20.7 | 0 | 0 | 0 | 111 | T4 W5 T6 R12 T13 | T4-N9 PolarHBondContact O-ND2 2.93Å; W5-N9 HydrophobicContact CE3-CB 4.43Å; T6-N9 WeakPolarHBondContact O-CA 3.5Å; T6-N9 WeakPolarHBondContact O-CB 3.29Å; T6-N9 PolarHBondContact O-N 3.04Å; T6-N9 PolarHBondContact OG1-N 3.28Å; T6-N9 PolarHBondContact OG1-ND2 3.09Å; N9-R12 PolarHBondContact OD1-NH2 3.25Å; N9-T13 VanDerWaalsContact O-CB 3.22Å; N9-T13 WeakPolarHBondContact O-CB 3.48Å; N9-T13 PolarHBondContact O-N 3.26Å; N9-T13 PolarHBondContact O-OG1 3.44Å |
| 10 | V | 98.7 | Very high | 92.7 | Very high | 0 Ų | 0 | 70.9 Ų | 70.9 | 0% | 0 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -63 | -50 | 176.4 | 178.9 | 0 | 0 | 0 | 0 | 111 | W5 T6 A7 D8 R12 T13 F14 L98 F124 L231 L234 L238 | W5-V10 HydrophobicContact CB-CG2 4.35Å; W5-V10 HydrophobicContact CE3-CG2 4.07Å; T6-V10 WeakPolarHBondContact O-CG2 3.45Å; T6-V10 PolarHBondContact O-N 3.05Å; A7-V10 PolarHBondContact O-N 2.91Å; D8-V10 VanDerWaalsContact C-N 3.32Å; V10-R12 PolarHBondContact O-N 2.9Å; V10-T13 PolarHBondContact O-N 3.17Å; V10-F14 WeakPolarHBondContact O-CB 3.38Å; V10-F14 PolarHBondContact O-N 3.17Å; V10-L98 HydrophobicContact CG1-CD1 4.16Å; V10-F124 HydrophobicContact CG1-CE1 4.16Å; V10-F124 HydrophobicContact CG1-CZ 3.97Å; V10-F124 HydrophobicContact CG2-CE1 4.45Å; V10-L231 HydrophobicContact CB-CD1 3.97Å; V10-L231 HydrophobicContact CG1-CD1 3.57Å; V10-L234 HydrophobicContact CG1-CD2 3.59Å; V10-L234 HydrophobicContact CG1-CG 4.17Å; V10-L238 HydrophobicContact CG1-CD1 4.43Å; V10-L238 HydrophobicContact CG2-CD1 3.59Å |
| 11 | R | 98.4 | Very high | 93 | Very high | 5 Ų | 5 | 70.5 Ų | 70.5 | 2% | 0.019 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -56.2 | -50.9 | 176 | -69.5 | -179.5 | -164.4 | 101.2 | 2.8 | 111.8 | A7 D8 F14 V15 Y73 E96 L231 | A7-R11 WeakPolarHBondContact O-CG 3.23Å; A7-R11 PolarHBondContact O-N 3.45Å; D8-R11 IonicContact OD1-NH1 3.78Å; D8-R11 PolarHBondContact OD1-NH1 3.33Å; R11-F14 PolarHBondContact O-N 3.42Å; R11-V15 WeakPolarHBondContact O-CG2 3.25Å; R11-V15 PolarHBondContact O-N 3.27Å; R11-Y73 HydrophobicContact CB-CD1 4.09Å; R11-Y73 HydrophobicContact CB-CE1 4.22Å; R11-Y73 HydrophobicContact CG-CD1 4.24Å; R11-Y73 HydrophobicContact CG-CD2 4.43Å; R11-Y73 HydrophobicContact CG-CG 4.16Å; R11-E96 IonicContact CZ-OE1 3.71Å; R11-E96 VanDerWaalsContact CZ-OE1 3.29Å; R11-E96 IonicContact CZ-OE2 4Å; R11-E96 IonicContact NE-OE1 2.69Å; R11-E96 PolarHBondContact NE-OE1 3.31Å; R11-E96 IonicContact NE-OE2 3.66Å; R11-E96 IonicContact NH2-OE1 3.43Å; R11-E96 PolarHBondContact NH2-OE1 3.07Å; R11-E96 IonicContact NH2-OE2 3.63Å; R11-E96 PolarHBondContact NH2-OE2 3.45Å; R11-L231 HydrophobicContact CG-CD1 4.08Å; R11-L231 HydrophobicContact CG-CD2 3.94Å |
| 12 | R | 97.7 | Very high | 95.6 | Very high | 137 Ų | 137 | 61.3 Ų | 61.3 | 52% | 0.517 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -63 | -43.6 | -178.7 | -76.2 | -168.3 | -66.2 | -92.9 | 3 | 112.4 | D8 N9 V10 R16 | D8-R12 WeakPolarHBondContact O-CB 3.09Å; D8-R12 WeakPolarHBondContact O-CG 3.26Å; D8-R12 PolarHBondContact O-N 2.74Å; N9-R12 PolarHBondContact OD1-NH2 3.25Å; V10-R12 PolarHBondContact O-N 2.9Å; R12-R16 WeakPolarHBondContact O-CB 3.33Å; R12-R16 PolarHBondContact O-N 3.25Å |
| 13 | T | 98.5 | Very high | 97 | Very high | 37 Ų | 37 | 51.8 Ų | 51.8 | 23% | 0.227 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -65.1 | -42.8 | 178.7 | -67.8 | 0 | 0 | 0 | 0 | 111.3 | W5 N9 V10 F17 V123 F124 | W5-T13 HydrophobicContact CH2-CG2 4.11Å; W5-T13 HydrophobicContact CZ3-CG2 4.11Å; N9-T13 VanDerWaalsContact O-CB 3.22Å; N9-T13 WeakPolarHBondContact O-CB 3.48Å; N9-T13 PolarHBondContact O-N 3.26Å; N9-T13 PolarHBondContact O-OG1 3.44Å; V10-T13 PolarHBondContact O-N 3.17Å; T13-F17 VanDerWaalsContact O-CB 3.3Å; T13-F17 WeakPolarHBondContact O-CB 3.33Å; T13-F17 PolarHBondContact O-N 3.28Å; T13-V123 HydrophobicContact CG2-CG1 3.45Å; T13-V123 VanDerWaalsContact CG2-CG1 3.45Å; T13-F124 HydrophobicContact CG2-CE1 3.93Å; T13-F124 HydrophobicContact CG2-CZ 4.13Å |
| 14 | F | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -59.2 | -53.1 | 176.2 | -179.2 | -90 | 0 | 0 | 0 | 111.7 | V10 R11 R16 F17 F18 V71 L98 L119 W201 L229 | V10-F14 WeakPolarHBondContact O-CB 3.38Å; V10-F14 PolarHBondContact O-N 3.17Å; R11-F14 PolarHBondContact O-N 3.42Å; F14-R16 PolarHBondContact O-N 3.18Å; F14-F17 PolarHBondContact O-N 2.96Å; F14-F18 HydrophobicContact CD1-CD2 4.32Å; F14-F18 HydrophobicContact CD2-CD2 4.43Å; F14-F18 HydrophobicContact CD2-CE2 4.07Å; F14-F18 HydrophobicContact CE1-CD2 4.03Å; F14-F18 HydrophobicContact CE1-CE2 4.16Å; F14-F18 HydrophobicContact CE2-CD2 4.12Å; F14-F18 AromaticContact CE2-CE2 3.5Å; F14-F18 HydrophobicContact CE2-CE2 3.5Å; F14-F18 HydrophobicContact CG-CD2 4.5Å; F14-F18 AromaticContact CZ-CD2 3.9Å; F14-F18 HydrophobicContact CZ-CD2 3.9Å; F14-F18 AromaticContact CZ-CE2 3.54Å; F14-F18 HydrophobicContact CZ-CE2 3.54Å; F14-F18 WeakPolarHBondContact O-CD2 3.45Å; F14-F18 PolarHBondContact O-N 3.27Å; F14-V71 HydrophobicContact CD1-CG2 3.79Å; F14-V71 HydrophobicContact CE1-CG2 3.37Å; F14-V71 HydrophobicContact CZ-CG2 4.29Å; F14-L98 HydrophobicContact CB-CD1 4.45Å; F14-L98 HydrophobicContact CB-CD2 3.96Å; F14-L98 HydrophobicContact CD1-CB 4.01Å; F14-L98 HydrophobicContact CD1-CD2 3.71Å; F14-L98 HydrophobicContact CD1-CG 4.39Å; F14-L98 HydrophobicContact CD2-CB 3.93Å; F14-L98 HydrophobicContact CD2-CD1 4.12Å; F14-L98 HydrophobicContact CD2-CD2 4.37Å; F14-L98 HydrophobicContact CD2-CG 4.38Å; F14-L98 HydrophobicContact CE1-CB 3.81Å; F14-L98 HydrophobicContact CE1-CD2 4.3Å; F14-L98 HydrophobicContact CE2-CB 3.77Å; F14-L98 HydrophobicContact CG-CB 4.08Å; F14-L98 HydrophobicContact CG-CD1 4.25Å; F14-L98 HydrophobicContact CG-CD2 3.76Å; F14-L98 HydrophobicContact CG-CG 4.26Å; F14-L98 HydrophobicContact CZ-CB 3.72Å; F14-L119 HydrophobicContact CD2-CD2 3.56Å; F14-L119 HydrophobicContact CE2-CD2 3.93Å; F14-W201 AromaticContact CE2-CH2 3.91Å; F14-W201 HydrophobicContact CE2-CH2 3.91Å; F14-W201 AromaticContact CE2-CZ2 3.81Å; F14-W201 HydrophobicContact CE2-CZ2 3.81Å; F14-W201 HydrophobicContact CZ-CZ2 4.28Å; F14-L229 HydrophobicContact CD2-CD2 3.87Å; F14-L229 HydrophobicContact CE2-CD2 3.7Å |
| 15 | V | 98.6 | Very high | 98.2 | Very high | 9 Ų | 9 | 48 Ų | 48 | 6% | 0.055 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -60.9 | -48.9 | 179.7 | 171.9 | 0 | 0 | 0 | 0 | 110.8 | R11 F17 F18 E19 H25 V71 Y73 | R11-V15 WeakPolarHBondContact O-CG2 3.25Å; R11-V15 PolarHBondContact O-N 3.27Å; V15-F17 VanDerWaalsContact C-N 3.33Å; V15-F17 PolarHBondContact O-N 3.16Å; V15-F18 PolarHBondContact O-N 3.42Å; V15-E19 HydrophobicContact CG1-CG 4.09Å; V15-E19 WeakPolarHBondContact O-CG 3.49Å; V15-E19 PolarHBondContact O-N 3.23Å; V15-H25 HydrophobicContact CG1-CB 4.04Å; V15-V71 HydrophobicContact CG1-CG1 4.37Å; V15-Y73 HydrophobicContact CG2-CD1 3.87Å; V15-Y73 HydrophobicContact CG2-CE1 4Å |
| 16 | R | 98.5 | Very high | 98.2 | Very high | 165 Ų | 165 | 47.3 Ų | 47.3 | 62% | 0.623 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -59.7 | -41.2 | -179 | -178.2 | 178.8 | 177.6 | 178.6 | 2.6 | 112.5 | R12 F14 F18 E19 Q20 | R12-R16 WeakPolarHBondContact O-CB 3.33Å; R12-R16 PolarHBondContact O-N 3.25Å; F14-R16 PolarHBondContact O-N 3.18Å; R16-F18 VanDerWaalsContact C-N 3.34Å; R16-F18 PolarHBondContact O-N 2.81Å; R16-E19 PolarHBondContact O-N 3.2Å; R16-Q20 WeakPolarHBondContact O-CB 3.45Å; R16-Q20 VanDerWaalsContact O-CG 3.26Å; R16-Q20 WeakPolarHBondContact O-CG 3.41Å; R16-Q20 PolarHBondContact O-N 2.84Å |
| 17 | F | 98.8 | Very high | 98.1 | Very high | 25 Ų | 25 | 51.5 Ų | 51.5 | 11% | 0.11 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -58.2 | -46.7 | 178.2 | 173.3 | -95.9 | 0 | 0 | 0 | 111.4 | T13 F14 V15 Q20 L21 Q115 L119 V123 | T13-F17 VanDerWaalsContact O-CB 3.3Å; T13-F17 WeakPolarHBondContact O-CB 3.33Å; T13-F17 PolarHBondContact O-N 3.28Å; F14-F17 PolarHBondContact O-N 2.96Å; V15-F17 VanDerWaalsContact C-N 3.33Å; V15-F17 PolarHBondContact O-N 3.16Å; F17-Q20 WeakPolarHBondContact O-CB 3.5Å; F17-Q20 PolarHBondContact O-N 3.06Å; F17-L21 HydrophobicContact CD1-CD1 3.98Å; F17-L21 HydrophobicContact CE1-CD1 3.48Å; F17-L21 VanDerWaalsContact CE1-CD1 3.48Å; F17-L21 HydrophobicContact CZ-CD1 3.8Å; F17-L21 WeakPolarHBondContact O-CG 3.28Å; F17-L21 PolarHBondContact O-N 3.09Å; F17-Q115 HydrophobicContact CE1-CB 4.33Å; F17-Q115 WeakPolarHBondContact CZ-O 3.45Å; F17-L119 HydrophobicContact CB-CD1 3.9Å; F17-L119 HydrophobicContact CD1-CB 4.09Å; F17-L119 HydrophobicContact CD1-CD1 3.98Å; F17-L119 HydrophobicContact CD1-CD2 4.08Å; F17-L119 HydrophobicContact CD1-CG 4.27Å; F17-L119 HydrophobicContact CD2-CD1 4.03Å; F17-L119 HydrophobicContact CE1-CB 3.8Å; F17-L119 HydrophobicContact CE1-CD2 4.45Å; F17-L119 HydrophobicContact CE1-CG 4.47Å; F17-L119 HydrophobicContact CE2-CB 4.32Å; F17-L119 HydrophobicContact CG-CB 4.48Å; F17-L119 HydrophobicContact CG-CD1 3.71Å; F17-L119 HydrophobicContact CG-CG 4.48Å; F17-L119 HydrophobicContact CZ-CB 3.91Å; F17-V123 HydrophobicContact CD2-CG2 3.88Å; F17-V123 HydrophobicContact CE2-CG2 4.03Å |
| 18 | F | 98.8 | Very high | 97.9 | Very high | 1 Ų | 1 | 52.7 Ų | 52.7 | 0% | 0.004 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -75.9 | -33.4 | 179.8 | -77.6 | -70.3 | 0 | 0 | 0 | 113.1 | F14 V15 R16 Q20 L21 G22 Y23 V71 N100 Q115 L119 W201 | F14-F18 HydrophobicContact CD1-CD2 4.32Å; F14-F18 HydrophobicContact CD2-CD2 4.43Å; F14-F18 HydrophobicContact CD2-CE2 4.07Å; F14-F18 HydrophobicContact CE1-CD2 4.03Å; F14-F18 HydrophobicContact CE1-CE2 4.16Å; F14-F18 HydrophobicContact CE2-CD2 4.12Å; F14-F18 AromaticContact CE2-CE2 3.5Å; F14-F18 HydrophobicContact CE2-CE2 3.5Å; F14-F18 HydrophobicContact CG-CD2 4.5Å; F14-F18 AromaticContact CZ-CD2 3.9Å; F14-F18 HydrophobicContact CZ-CD2 3.9Å; F14-F18 AromaticContact CZ-CE2 3.54Å; F14-F18 HydrophobicContact CZ-CE2 3.54Å; F14-F18 WeakPolarHBondContact O-CD2 3.45Å; F14-F18 PolarHBondContact O-N 3.27Å; V15-F18 PolarHBondContact O-N 3.42Å; R16-F18 VanDerWaalsContact C-N 3.34Å; R16-F18 PolarHBondContact O-N 2.81Å; F18-Q20 VanDerWaalsContact C-N 3.27Å; F18-Q20 PolarHBondContact O-N 2.62Å; F18-L21 HydrophobicContact CD1-CD1 4.22Å; F18-L21 CarbonylContact O-C 3.53Å; F18-L21 WeakPolarHBondContact O-CA 3.37Å; F18-L21 WeakPolarHBondContact O-CB 3.13Å; F18-L21 PolarHBondContact O-N 3.29Å; F18-G22 PolarHBondContact O-N 3.49Å; F18-Y23 HydrophobicContact CB-CD2 4.06Å; F18-Y23 HydrophobicContact CB-CG 3.96Å; F18-Y23 HydrophobicContact CD1-CD1 4.27Å; F18-Y23 AromaticContact CD1-CD2 3.74Å; F18-Y23 HydrophobicContact CD1-CD2 3.74Å; F18-Y23 HydrophobicContact CD1-CE1 4.16Å; F18-Y23 AromaticContact CD1-CE2 3.56Å; F18-Y23 HydrophobicContact CD1-CE2 3.56Å; F18-Y23 HydrophobicContact CD1-CG 4.08Å; F18-Y23 AromaticContact CD1-CZ 3.77Å; F18-Y23 HydrophobicContact CE1-CE2 4.17Å; F18-Y23 HydrophobicContact CG-CD2 4.4Å; F18-Y23 HydrophobicContact CG-CG 4.44Å; F18-Y23 WeakPolarHBondContact O-CB 3.42Å; F18-Y23 WeakPolarHBondContact O-CD2 3.26Å; F18-Y23 PolarHBondContact O-N 2.9Å; F18-V71 HydrophobicContact CB-CB 3.77Å; F18-V71 HydrophobicContact CB-CG1 3.93Å; F18-V71 HydrophobicContact CB-CG2 3.69Å; F18-V71 HydrophobicContact CD2-CG2 3.78Å; F18-V71 HydrophobicContact CG-CB 4.38Å; F18-V71 HydrophobicContact CG-CG2 3.98Å; F18-N100 HydrophobicContact CD1-CB 3.95Å; F18-N100 HydrophobicContact CD2-CB 4.16Å; F18-N100 HydrophobicContact CE1-CB 3.79Å; F18-N100 VanDerWaalsContact CE1-CG 3.46Å; F18-N100 WeakPolarHBondContact CE1-ND2 3.5Å; F18-N100 HydrophobicContact CE2-CB 4.02Å; F18-N100 HydrophobicContact CG-CB 4.13Å; F18-N100 HydrophobicContact CZ-CB 3.83Å; F18-N100 WeakPolarHBondContact CZ-OD1 3.37Å; F18-Q115 HydrophobicContact CE1-CB 4.28Å; F18-L119 HydrophobicContact CE2-CD2 3.89Å; F18-W201 AromaticContact CE2-CH2 3.97Å; F18-W201 HydrophobicContact CE2-CH2 3.97Å; F18-W201 HydrophobicContact CE2-CZ2 4.19Å; F18-W201 AromaticContact CZ-CH2 3.79Å; F18-W201 HydrophobicContact CZ-CH2 3.79Å; F18-W201 AromaticContact CZ-CZ2 3.97Å; F18-W201 HydrophobicContact CZ-CZ2 3.97Å |
| 19 | E | 98.5 | Very high | 97.7 | Very high | 94 Ų | 94 | 52.2 Ų | 52.2 | 44% | 0.439 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -58.7 | -40.8 | 170.4 | -75 | -177.9 | 139.1 | 0 | 0 | 111.4 | V15 R16 L21 G22 H25 V71 | V15-E19 HydrophobicContact CG1-CG 4.09Å; V15-E19 WeakPolarHBondContact O-CG 3.49Å; V15-E19 PolarHBondContact O-N 3.23Å; R16-E19 PolarHBondContact O-N 3.2Å; E19-L21 PolarHBondContact O-N 2.97Å; E19-G22 PolarHBondContact O-N 3.17Å; E19-H25 HydrophobicContact CG-CB 4.33Å; E19-H25 WeakPolarHBondContact OE1-CB 3.35Å; E19-V71 HydrophobicContact CG-CG1 4.44Å |
| 20 | Q | 98.5 | Very high | 97.6 | Very high | 134 Ų | 134 | 52 Ų | 52 | 63% | 0.626 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -63.5 | -23.5 | 173.8 | -72.5 | 173.2 | -31.5 | 0 | 0 | 113.1 | R16 F17 F18 G22 | R16-Q20 WeakPolarHBondContact O-CB 3.45Å; R16-Q20 VanDerWaalsContact O-CG 3.26Å; R16-Q20 WeakPolarHBondContact O-CG 3.41Å; R16-Q20 PolarHBondContact O-N 2.84Å; F17-Q20 WeakPolarHBondContact O-CB 3.5Å; F17-Q20 PolarHBondContact O-N 3.06Å; F18-Q20 VanDerWaalsContact C-N 3.27Å; F18-Q20 PolarHBondContact O-N 2.62Å; Q20-G22 VanDerWaalsContact C-N 3.32Å |
| 21 | L | 98.3 | Very high | 97.5 | Very high | 63 Ų | 63 | 52 Ų | 52 | 33% | 0.33 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.9 | 11.2 | 173.2 | -62.5 | 171.2 | 0 | 0 | 0 | 112.9 | F17 F18 E19 Y23 K69 Q115 | F17-L21 HydrophobicContact CD1-CD1 3.98Å; F17-L21 HydrophobicContact CE1-CD1 3.48Å; F17-L21 VanDerWaalsContact CE1-CD1 3.48Å; F17-L21 HydrophobicContact CZ-CD1 3.8Å; F17-L21 WeakPolarHBondContact O-CG 3.28Å; F17-L21 PolarHBondContact O-N 3.09Å; F18-L21 HydrophobicContact CD1-CD1 4.22Å; F18-L21 CarbonylContact O-C 3.53Å; F18-L21 WeakPolarHBondContact O-CA 3.37Å; F18-L21 WeakPolarHBondContact O-CB 3.13Å; F18-L21 PolarHBondContact O-N 3.29Å; E19-L21 PolarHBondContact O-N 2.97Å; L21-Y23 HydrophobicContact CB-CD2 3.95Å; L21-Y23 HydrophobicContact CB-CE2 4.09Å; L21-K69 PolarHBondContact O-NZ 2.97Å; L21-Q115 HydrophobicContact CD1-CB 4.32Å; L21-Q115 HydrophobicContact CD1-CG 3.72Å |
| 22 | G | 97.9 | Very high | 97.3 | Very high | 47 Ų | 47 | 54.7 Ų | 54.7 | 49% | 0.485 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 76 | 22.2 | 177 | 0 | 0 | 0 | 0 | 0 | 114.6 | F18 E19 Q20 K69 | F18-G22 PolarHBondContact O-N 3.49Å; E19-G22 PolarHBondContact O-N 3.17Å; Q20-G22 VanDerWaalsContact C-N 3.32Å; G22-K69 WeakPolarHBondContact O-CE 3.39Å |
| 23 | Y | 98.5 | Very high | 96.8 | Very high | 7 Ų | 7 | 48.8 Ų | 48.8 | 3% | 0.027 | 26% | 0.264 | C | S | . | . | P | Polyproline II helix | trans | -78.7 | 145.9 | 167.3 | -70.5 | -113.9 | 0 | 0 | 0 | 109.9 | F18 L21 K69 A70 N100 W101 L107 Q115 | F18-Y23 HydrophobicContact CB-CD2 4.06Å; F18-Y23 HydrophobicContact CB-CG 3.96Å; F18-Y23 HydrophobicContact CD1-CD1 4.27Å; F18-Y23 AromaticContact CD1-CD2 3.74Å; F18-Y23 HydrophobicContact CD1-CD2 3.74Å; F18-Y23 HydrophobicContact CD1-CE1 4.16Å; F18-Y23 AromaticContact CD1-CE2 3.56Å; F18-Y23 HydrophobicContact CD1-CE2 3.56Å; F18-Y23 HydrophobicContact CD1-CG 4.08Å; F18-Y23 AromaticContact CD1-CZ 3.77Å; F18-Y23 HydrophobicContact CE1-CE2 4.17Å; F18-Y23 HydrophobicContact CG-CD2 4.4Å; F18-Y23 HydrophobicContact CG-CG 4.44Å; F18-Y23 WeakPolarHBondContact O-CB 3.42Å; F18-Y23 WeakPolarHBondContact O-CD2 3.26Å; F18-Y23 PolarHBondContact O-N 2.9Å; L21-Y23 HydrophobicContact CB-CD2 3.95Å; L21-Y23 HydrophobicContact CB-CE2 4.09Å; Y23-K69 HydrophobicContact CD1-CB 3.59Å; Y23-K69 HydrophobicContact CD1-CD 4.35Å; Y23-K69 HydrophobicContact CD1-CG 4.27Å; Y23-K69 HydrophobicContact CD2-CB 4.39Å; Y23-K69 HydrophobicContact CD2-CD 4Å; Y23-K69 HydrophobicContact CE1-CB 3.98Å; Y23-K69 HydrophobicContact CE1-CD 4.17Å; Y23-K69 HydrophobicContact CE1-CG 4.18Å; Y23-K69 HydrophobicContact CE2-CD 3.83Å; Y23-K69 HydrophobicContact CG-CB 3.83Å; Y23-K69 HydrophobicContact CG-CD 4.28Å; Y23-A70 VanDerWaalsContact CD1-O 3.32Å; Y23-A70 WeakPolarHBondContact CD1-O 3.46Å; Y23-N100 HydrophobicContact CD1-CB 4.12Å; Y23-N100 HydrophobicContact CE1-CB 3.81Å; Y23-N100 PolarHBondContact OH-ND2 3.45Å; Y23-W101 WeakPolarHBondContact CE1-O 3.23Å; Y23-L107 HydrophobicContact CE2-CD1 4.3Å; Y23-L107 WeakPolarHBondContact OH-CD1 3.17Å; Y23-Q115 PolarHBondContact OH-OE1 2.85Å |
| 24 | T | 98.1 | Very high | 96 | Very high | 60 Ų | 60 | 49.8 Ų | 49.8 | 37% | 0.368 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 124.7 | 175.1 | -60.1 | 0 | 0 | 0 | 0 | 110.2 | V26 L67 K69 A70 V71 | T24-V26 PolarHBondContact O-N 3Å; T24-L67 HydrophobicContact CG2-CD1 4.15Å; T24-K69 PolarHBondContact N-O 3.45Å; T24-A70 CarbonylContact O-C 3.54Å; T24-A70 VanDerWaalsContact O-CA 3.25Å; T24-A70 WeakPolarHBondContact O-CA 3.5Å; T24-V71 PolarHBondContact O-N 3.48Å |
| 25 | H | 98 | Very high | 95 | Very high | 55 Ų | 55 | 59.5 Ų | 59.5 | 26% | 0.255 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 123.6 | 170.8 | -178.3 | -157.7 | 0 | 0 | 0 | 110.7 | V15 E19 R63 V71 | V15-H25 HydrophobicContact CG1-CB 4.04Å; E19-H25 HydrophobicContact CG-CB 4.33Å; E19-H25 WeakPolarHBondContact OE1-CB 3.35Å; H25-R63 PolarHBondContact O-NH2 2.83Å; H25-V71 WeakPolarHBondContact CA-O 3.47Å; H25-V71 HydrophobicContact CB-CG1 4.33Å; H25-V71 PolarHBondContact CD2-O 3Å |
| 26 | V | 96.6 | Very high | 93.7 | Very high | 20 Ų | 20 | 67 Ų | 67 | 12% | 0.121 | 35% | 0.348 | C | S | . | . | trans | -115.2 | 133.5 | 176.4 | -179.2 | 0 | 0 | 0 | 0 | 108.4 | T24 F50 L67 A70 V71 N72 | T24-V26 PolarHBondContact O-N 3Å; V26-F50 HydrophobicContact CB-CE1 4.44Å; V26-F50 HydrophobicContact CB-CZ 4.11Å; V26-F50 HydrophobicContact CG1-CE1 4.17Å; V26-F50 HydrophobicContact CG1-CZ 4.1Å; V26-F50 HydrophobicContact CG2-CE1 4.24Å; V26-F50 HydrophobicContact CG2-CZ 4.25Å; V26-L67 HydrophobicContact CG2-CD1 4.43Å; V26-L67 HydrophobicContact CG2-CD2 4.17Å; V26-A70 HydrophobicContact CG2-CB 3.97Å; V26-V71 PolarHBondContact N-O 2.95Å; V26-V71 VanDerWaalsContact N-O 3.1Å; V26-N72 WeakPolarHBondContact O-CB 3.45Å; V26-N72 PolarHBondContact O-ND2 2.82Å | ||
| 27 | L | 94.3 | Very high | 92.5 | Very high | 137 Ų | 137 | 60 Ų | 60 | 72% | 0.717 | 32% | 0.323 | S | S | * | . | P | Polyproline II helix | trans | -65.4 | 148.3 | -178.3 | -65 | 177.3 | 0 | 0 | 0 | 111.8 | A29 Q49 | L27-A29 PolarHBondContact O-N 3.23Å; L27-Q49 PolarHBondContact O-OE1 3Å |
| 28 | S | 94.5 | Very high | 91.4 | Very high | 26 Ų | 26 | 61.4 Ų | 61.4 | 18% | 0.182 | 34% | 0.344 | C | S | . | . | P | Polyproline II helix | trans | -52.3 | 127 | 173 | -157.2 | 0 | 0 | 0 | 0 | 110.7 | Y73 Q74 R75 | S28-Y73 WeakPolarHBondContact CB-O 2.95Å; S28-Y73 PolarHBondContact OG-O 2.68Å; S28-Q74 WeakPolarHBondContact OG-CA 3.34Å; S28-Q74 PolarHBondContact OG-NE2 3.38Å; S28-R75 PolarHBondContact OG-N 3.18Å |
| 29 | A | 94.1 | Very high | 90.4 | Very high | 27 Ų | 27 | 65.8 Ų | 65.8 | 22% | 0.223 | 37% | 0.371 | C | S | . | . | P | Polyproline II helix | trans | -69.5 | 167.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | L27 Q49 Q74 R75 | L27-A29 PolarHBondContact O-N 3.23Å; A29-Q49 HydrophobicContact CB-CB 3.93Å; A29-Q74 PolarHBondContact O-NE2 2.74Å; A29-R75 PolarHBondContact O-NH2 2.96Å; A29-R75 VanDerWaalsContact O-NH2 3.08Å |
| 30 | S | 95.5 | Very high | 89.9 | Confident | 43 Ų | 43 | 62.3 Ų | 62.3 | 30% | 0.301 | 36% | 0.356 | S | S | . | . | P | Polyproline II helix | trans | -62.2 | 149.8 | 171.5 | -177 | 0 | 0 | 0 | 0 | 111.2 | V32 T43 D298 | S30-V32 PolarHBondContact O-N 2.8Å; S30-V32 WeakPolarHBondContact OG-CB 3.25Å; S30-V32 PolarHBondContact OG-N 3.37Å; S30-T43 WeakPolarHBondContact O-CB 3.47Å; S30-T43 PolarHBondContact O-OG1 3.32Å; S30-D298 WeakPolarHBondContact OG-CB 3.29Å |
| 31 | L | 96.4 | Very high | 89.6 | Confident | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 34% | 0.339 | C | S | . | . | S | Bend | trans | -63.5 | -21.3 | 164.5 | -73.3 | -168.6 | 0 | 0 | 0 | 112.1 | P33 F42 T43 R75 V77 F94 F294 D298 | L31-P33 WeakPolarHBondContact O-CD 3.47Å; L31-F42 HydrophobicContact CB-CD1 4.04Å; L31-F42 CarbonylContact O-C 3.55Å; L31-F42 VanDerWaalsContact O-CA 3.27Å; L31-F42 WeakPolarHBondContact O-CA 3.09Å; L31-F42 WeakPolarHBondContact O-CD1 3.32Å; L31-T43 PolarHBondContact O-N 2.95Å; L31-R75 HydrophobicContact CD2-CB 3.88Å; L31-R75 VanDerWaalsContact CD2-O 3.24Å; L31-R75 WeakPolarHBondContact CD2-O 3.47Å; L31-V77 HydrophobicContact CD1-CG2 3.87Å; L31-V77 HydrophobicContact CD2-CG2 4.01Å; L31-F94 HydrophobicContact CD1-CD2 4.41Å; L31-F94 HydrophobicContact CD1-CE2 4.3Å; L31-F294 HydrophobicContact CD1-CB 3.53Å; L31-F294 HydrophobicContact CG-CB 4.42Å; L31-D298 HydrophobicContact CB-CB 4.41Å; L31-D298 WeakPolarHBondContact CB-OD2 3.2Å; L31-D298 PolarHBondContact N-OD2 2.64Å |
| 32 | V | 93.9 | Very high | 89.4 | Confident | 61 Ų | 61 | 55.6 Ų | 55.6 | 37% | 0.37 | 32% | 0.324 | S | S | . | . | S | Bend | trans | -79 | 116.7 | 168.6 | -175 | 0 | 0 | 0 | 0 | 108.5 | S30 V300 | S30-V32 PolarHBondContact O-N 2.8Å; S30-V32 WeakPolarHBondContact OG-CB 3.25Å; S30-V32 PolarHBondContact OG-N 3.37Å; V32-V300 HydrophobicContact CG2-CG2 3.53Å |
| 33 | P | 87.6 | Confident | 89.2 | Confident | 14 Ų | 14 | 53.5 Ų | 53.5 | 9% | 0.091 | 30% | 0.302 | C | S | . | . | P | Polyproline II helix | trans | -59.4 | 157.4 | 176.3 | -22.3 | 34.2 | 0 | 0 | 0 | 111.7 | L31 D37 L40 | L31-P33 WeakPolarHBondContact O-CD 3.47Å; P33-D37 HydrophobicContact CB-CB 4.24Å; P33-L40 HydrophobicContact CB-CB 4.22Å; P33-L40 HydrophobicContact CG-CB 3.68Å |
| 34 | P | 82.4 | Confident | 89 | Confident | 58 Ų | 58 | 55.7 Ų | 55.7 | 38% | 0.377 | 31% | 0.314 | S | S | . | . | P | Polyproline II helix | trans | -50.9 | 145.3 | 170.8 | -24 | 33.8 | 0 | 0 | 0 | 111.1 | E36 D37 | P34-E36 VanDerWaalsContact CB-OE2 3.25Å; P34-E36 WeakPolarHBondContact CB-OE2 3.49Å; P34-E36 PolarHBondContact O-N 3.17Å; P34-E36 VanDerWaalsContact O-N 3.1Å; P34-D37 WeakPolarHBondContact O-CA 3.36Å; P34-D37 WeakPolarHBondContact O-CB 3.22Å; P34-D37 PolarHBondContact O-N 2.81Å |
| 35 | K | 76.6 | Confident | 88.7 | Confident | 203 Ų | 203 | 53 Ų | 53 | 88% | 0.883 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | -28.3 | -176.1 | -72.1 | -176 | 178.6 | 179.3 | 0 | 112.5 | D37 | K35-D37 PolarHBondContact O-N 3.42Š|
| 36 | E | 72.7 | Confident | 88.5 | Confident | 167 Ų | 167 | 50.4 Ų | 50.4 | 78% | 0.78 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.5 | -23 | 177.4 | -56.4 | 76.8 | -167.2 | 0 | 0 | 112 | P34 G38 | P34-E36 VanDerWaalsContact CB-OE2 3.25Å; P34-E36 WeakPolarHBondContact CB-OE2 3.49Å; P34-E36 PolarHBondContact O-N 3.17Å; P34-E36 VanDerWaalsContact O-N 3.1Å; E36-G38 PolarHBondContact O-N 2.88Å |
| 37 | D | 73.7 | Confident | 88.4 | Confident | 19 Ų | 19 | 49.6 Ų | 49.6 | 10% | 0.102 | 28% | 0.281 | C | S | . | . | trans | -90.9 | 83.6 | 175.8 | -168.5 | -6.8 | 0 | 0 | 0 | 111.1 | P33 P34 K35 T39 L40 K51 | P33-D37 HydrophobicContact CB-CB 4.24Å; P34-D37 WeakPolarHBondContact O-CA 3.36Å; P34-D37 WeakPolarHBondContact O-CB 3.22Å; P34-D37 PolarHBondContact O-N 2.81Å; K35-D37 PolarHBondContact O-N 3.42Å; D37-T39 PolarHBondContact O-N 3.1Å; D37-T39 PolarHBondContact OD1-N 3.44Å; D37-T39 VanDerWaalsContact OD1-N 3.13Å; D37-T39 PolarHBondContact OD1-OG1 3.3Å; D37-L40 WeakPolarHBondContact OD2-CD1 3.43Å; D37-K51 IonicContact OD1-NZ 2.77Å; D37-K51 IonicContact OD2-NZ 3.63Å; D37-K51 PolarHBondContact OD2-NZ 3.22Å | ||
| 38 | G | 74 | Confident | 88.3 | Confident | 53 Ų | 53 | 43.2 Ų | 43.2 | 55% | 0.546 | 25% | 0.247 | S | C | . | . | trans | -68.3 | -11.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | E36 R306 | E36-G38 PolarHBondContact O-N 2.88Å; G38-R306 PolarHBondContact O-NH2 2.87Å; G38-R306 VanDerWaalsContact O-NH2 3.14Å | ||
| 39 | T | 78.4 | Confident | 88.2 | Confident | 94 Ų | 94 | 43.3 Ų | 43.3 | 58% | 0.577 | 25% | 0.245 | S | C | * | . | S | Bend | trans | -87.9 | -29.7 | -167.6 | 68.9 | 0 | 0 | 0 | 0 | 113.5 | D37 | D37-T39 PolarHBondContact O-N 3.1Å; D37-T39 PolarHBondContact OD1-N 3.44Å; D37-T39 VanDerWaalsContact OD1-N 3.13Å; D37-T39 PolarHBondContact OD1-OG1 3.3Å |
| 40 | L | 87.4 | Confident | 88.1 | Confident | 21 Ų | 21 | 42 Ų | 42 | 11% | 0.11 | 24% | 0.235 | C | C | . | . | trans | -97 | 143 | -176.9 | -63.2 | -178.3 | 0 | 0 | 0 | 111.6 | P33 D37 V48 R306 | P33-L40 HydrophobicContact CB-CB 4.22Å; P33-L40 HydrophobicContact CG-CB 3.68Å; D37-L40 WeakPolarHBondContact OD2-CD1 3.43Å; L40-V48 HydrophobicContact CD1-CG1 4.11Å; L40-V48 HydrophobicContact CD1-CG2 3.78Å; L40-R306 PolarHBondContact O-NH2 3.44Å | ||
| 41 | L | 92.1 | Very high | 87.8 | Confident | 52 Ų | 52 | 41.4 Ų | 41.4 | 27% | 0.272 | 23% | 0.226 | S | C | . | . | S | Bend | trans | -88.2 | -31.7 | 168.8 | -62.3 | -179 | 0 | 0 | 0 | 111.6 | L79 R306 S307 V310 | L41-L79 HydrophobicContact CB-CD1 4.12Å; L41-L79 HydrophobicContact CD1-CD1 4.05Å; L41-L79 HydrophobicContact CG-CD1 4.48Å; L41-R306 HydrophobicContact CD2-CB 3.74Å; L41-R306 HydrophobicContact CD2-CG 4.21Å; L41-S307 WeakPolarHBondContact O-CB 3.25Å; L41-S307 PolarHBondContact O-OG 3.18Å; L41-V310 HydrophobicContact CD1-CG2 3.78Å |
| 42 | F | 94.9 | Very high | 87.5 | Confident | 4 Ų | 4 | 43.5 Ų | 43.5 | 2% | 0.018 | 24% | 0.24 | C | C | . | . | S | Bend | trans | -143.5 | 152.2 | 175.6 | -76 | -80.8 | 0 | 0 | 0 | 109.6 | L31 N44 V77 L79 M291 A295 V300 V310 | L31-F42 HydrophobicContact CB-CD1 4.04Å; L31-F42 CarbonylContact O-C 3.55Å; L31-F42 VanDerWaalsContact O-CA 3.27Å; L31-F42 WeakPolarHBondContact O-CA 3.09Å; L31-F42 WeakPolarHBondContact O-CD1 3.32Å; F42-N44 PolarHBondContact O-N 3.3Å; F42-V77 HydrophobicContact CB-CB 3.71Å; F42-V77 HydrophobicContact CB-CG1 4.13Å; F42-V77 HydrophobicContact CB-CG2 4.24Å; F42-V77 HydrophobicContact CD1-CB 4.47Å; F42-V77 HydrophobicContact CD1-CG2 4.14Å; F42-V77 HydrophobicContact CD2-CG1 4.13Å; F42-V77 HydrophobicContact CG-CB 4.02Å; F42-V77 HydrophobicContact CG-CG1 4.12Å; F42-V77 HydrophobicContact CG-CG2 4.19Å; F42-L79 HydrophobicContact CD2-CD2 4.13Å; F42-M291 HydrophobicContact CD2-CE 4.25Å; F42-M291 HydrophobicContact CE1-CE 4.18Å; F42-M291 HydrophobicContact CE2-CE 3.63Å; F42-M291 HydrophobicContact CZ-CE 3.58Å; F42-A295 HydrophobicContact CE1-CB 3.95Å; F42-A295 HydrophobicContact CZ-CB 4.27Å; F42-V300 HydrophobicContact CE1-CG2 3.97Å; F42-V300 HydrophobicContact CZ-CG1 4.21Å; F42-V300 HydrophobicContact CZ-CG2 4.47Å; F42-V310 HydrophobicContact CD2-CG1 4.24Å; F42-V310 HydrophobicContact CE2-CB 3.88Å; F42-V310 HydrophobicContact CE2-CG1 3.69Å |
| 43 | T | 94.4 | Very high | 87.3 | Confident | 3 Ų | 3 | 41 Ų | 41 | 2% | 0.018 | 22% | 0.224 | C | C | . | . | trans | -60 | 118.4 | 167.9 | -60.7 | 0 | 0 | 0 | 0 | 109 | S30 L31 V48 Q74 C76 V77 | S30-T43 WeakPolarHBondContact O-CB 3.47Å; S30-T43 PolarHBondContact O-OG1 3.32Å; L31-T43 PolarHBondContact O-N 2.95Å; T43-V48 HydrophobicContact CG2-CB 4.17Å; T43-V48 HydrophobicContact CG2-CG1 4.49Å; T43-V48 HydrophobicContact CG2-CG2 4.4Å; T43-Q74 HydrophobicContact CG2-CG 4.08Å; T43-C76 WeakPolarHBondContact O-CA 3.44Å; T43-V77 PolarHBondContact O-N 2.79Å | ||
| 44 | N | 92.7 | Very high | 87.4 | Confident | 53 Ų | 53 | 40.6 Ų | 40.6 | 28% | 0.283 | 22% | 0.222 | S | C | . | . | trans | -112.6 | -9.2 | -175.9 | 65.7 | -24.3 | 0 | 0 | 0 | 113.7 | F42 V77 | F42-N44 PolarHBondContact O-N 3.3Å; N44-V77 WeakPolarHBondContact CB-O 3.41Å | ||
| 45 | A | 93.1 | Very high | 87.5 | Confident | 4 Ų | 4 | 41.4 Ų | 41.4 | 3% | 0.033 | 22% | 0.222 | C | C | . | . | S | Bend | trans | -149.4 | 153.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | V47 V48 M97 W174 L176 | A45-V47 VanDerWaalsContact C-N 3.28Å; A45-V47 HydrophobicContact CB-CG1 4.2Å; A45-V47 PolarHBondContact O-N 3.13Å; A45-V48 HydrophobicContact CB-CG2 4.38Å; A45-V48 WeakPolarHBondContact O-CB 3.47Å; A45-V48 WeakPolarHBondContact O-CG2 3.25Å; A45-V48 PolarHBondContact O-N 2.64Å; A45-M97 HydrophobicContact CB-CE 4.2Å; A45-M97 HydrophobicContact CB-SD 4.2Å; A45-W174 HydrophobicContact CB-CZ2 4.3Å; A45-L176 HydrophobicContact CB-CD1 4.47Å |
| 46 | G | 94.2 | Very high | 87.9 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 21% | 0.214 | C | C | . | . | G | 310 helix | trans | -60.2 | -36.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | V48 Q49 M97 | G46-V48 PolarHBondContact O-N 3.44Å; G46-V48 VanDerWaalsContact O-N 3.14Å; G46-Q49 WeakPolarHBondContact O-CG 3.49Å; G46-Q49 PolarHBondContact O-NE2 3Å; G46-M97 PolarHBondContact N-SD 2.63Å; G46-M97 VanDerWaalsContact N-SD 3.41Å |
| 47 | V | 93.3 | Very high | 88.6 | Confident | 3 Ų | 3 | 32.5 Ų | 32.5 | 2% | 0.018 | 21% | 0.205 | C | C | . | . | G | 310 helix | trans | -64.8 | -17.2 | -177.9 | 77.7 | 0 | 0 | 0 | 0 | 114.8 | A45 Q49 F50 K51 L54 W174 M206 D226 | A45-V47 VanDerWaalsContact C-N 3.28Å; A45-V47 HydrophobicContact CB-CG1 4.2Å; A45-V47 PolarHBondContact O-N 3.13Å; V47-Q49 PolarHBondContact O-N 3.26Å; V47-F50 CarbonylContact O-C 3.5Å; V47-F50 WeakPolarHBondContact O-CA 3.43Å; V47-F50 PolarHBondContact O-N 3.23Å; V47-K51 PolarHBondContact O-N 2.77Å; V47-L54 HydrophobicContact CG2-CD1 3.6Å; V47-W174 HydrophobicContact CG1-CH2 3.75Å; V47-W174 HydrophobicContact CG1-CZ2 4.42Å; V47-M206 HydrophobicContact CG1-CE 4.25Å; V47-M206 HydrophobicContact CG2-CE 4.02Å; V47-M206 HydrophobicContact CG2-SD 4.36Å; V47-D226 HydrophobicContact CB-CB 4.43Å; V47-D226 HydrophobicContact CG2-CB 4.15Å |
| 48 | V | 92.3 | Very high | 89.3 | Confident | 2 Ų | 2 | 33.3 Ų | 33.3 | 1% | 0.012 | 21% | 0.21 | C | C | . | . | G | 310 helix | trans | -55.3 | -38.7 | -178.2 | 173.5 | 0 | 0 | 0 | 0 | 111.7 | L40 T43 A45 G46 F50 K51 L176 | L40-V48 HydrophobicContact CD1-CG1 4.11Å; L40-V48 HydrophobicContact CD1-CG2 3.78Å; T43-V48 HydrophobicContact CG2-CB 4.17Å; T43-V48 HydrophobicContact CG2-CG1 4.49Å; T43-V48 HydrophobicContact CG2-CG2 4.4Å; A45-V48 HydrophobicContact CB-CG2 4.38Å; A45-V48 WeakPolarHBondContact O-CB 3.47Å; A45-V48 WeakPolarHBondContact O-CG2 3.25Å; A45-V48 PolarHBondContact O-N 2.64Å; G46-V48 PolarHBondContact O-N 3.44Å; G46-V48 VanDerWaalsContact O-N 3.14Å; V48-F50 PolarHBondContact O-N 3.4Å; V48-K51 WeakPolarHBondContact O-CG 3.34Å; V48-K51 PolarHBondContact O-N 3.35Å; V48-L176 HydrophobicContact CG2-CD1 4.4Å; V48-L176 HydrophobicContact CG2-CD2 4.44Å |
| 49 | Q | 92.3 | Very high | 90 | Very high | 29 Ų | 29 | 39.4 Ų | 39.4 | 14% | 0.136 | 22% | 0.216 | C | C | . | . | G | 310 helix | trans | -71.5 | -15 | 178.9 | 77.1 | -163.9 | -82.7 | 0 | 0 | 114 | L27 A29 G46 V47 N72 | L27-Q49 PolarHBondContact O-OE1 3Å; A29-Q49 HydrophobicContact CB-CB 3.93Å; G46-Q49 WeakPolarHBondContact O-CG 3.49Å; G46-Q49 PolarHBondContact O-NE2 3Å; V47-Q49 PolarHBondContact O-N 3.26Å; Q49-N72 PolarHBondContact NE2-ND2 2.81Å |
| 50 | F | 93 | Very high | 90.4 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 23% | 0.228 | C | C | . | . | G | 310 helix | trans | -106.3 | 1.8 | -178.3 | -54.7 | -61.8 | 0 | 0 | 0 | 113.3 | V26 V47 V48 P52 I53 L54 L64 L67 A70 W101 F103 | V26-F50 HydrophobicContact CB-CE1 4.44Å; V26-F50 HydrophobicContact CB-CZ 4.11Å; V26-F50 HydrophobicContact CG1-CE1 4.17Å; V26-F50 HydrophobicContact CG1-CZ 4.1Å; V26-F50 HydrophobicContact CG2-CE1 4.24Å; V26-F50 HydrophobicContact CG2-CZ 4.25Å; V47-F50 CarbonylContact O-C 3.5Å; V47-F50 WeakPolarHBondContact O-CA 3.43Å; V47-F50 PolarHBondContact O-N 3.23Å; V48-F50 PolarHBondContact O-N 3.4Å; F50-P52 VanDerWaalsContact C-N 3.26Å; F50-P52 VanDerWaalsContact O-N 3.13Å; F50-I53 HydrophobicContact CB-CD1 4.42Å; F50-I53 HydrophobicContact CD1-CD1 4.12Å; F50-I53 WeakPolarHBondContact O-CB 3.39Å; F50-I53 PolarHBondContact O-N 3.32Å; F50-L54 PolarHBondContact O-N 3.06Å; F50-L64 HydrophobicContact CD1-CD2 4.09Å; F50-L64 HydrophobicContact CE1-CD2 4.28Å; F50-L67 HydrophobicContact CD1-CD2 4.04Å; F50-L67 HydrophobicContact CE1-CD2 3.68Å; F50-A70 HydrophobicContact CE1-CB 4.1Å; F50-A70 HydrophobicContact CE2-CB 4.42Å; F50-A70 HydrophobicContact CZ-CB 3.81Å; F50-W101 AromaticContact CD2-CD2 3.68Å; F50-W101 HydrophobicContact CD2-CD2 3.68Å; F50-W101 AromaticContact CD2-CE2 3.9Å; F50-W101 HydrophobicContact CD2-CE3 4.07Å; F50-W101 AromaticContact CD2-CG 3.92Å; F50-W101 HydrophobicContact CD2-CG 3.92Å; F50-W101 AromaticContact CE2-CD2 3.41Å; F50-W101 HydrophobicContact CE2-CD2 3.41Å; F50-W101 VanDerWaalsContact CE2-CD2 3.41Å; F50-W101 AromaticContact CE2-CE2 3.79Å; F50-W101 AromaticContact CE2-CE3 3.31Å; F50-W101 HydrophobicContact CE2-CE3 3.31Å; F50-W101 HydrophobicContact CE2-CG 4.08Å; F50-W101 HydrophobicContact CE2-CH2 4.05Å; F50-W101 HydrophobicContact CE2-CZ2 4.14Å; F50-W101 AromaticContact CE2-CZ3 3.63Å; F50-W101 HydrophobicContact CE2-CZ3 3.63Å; F50-W101 HydrophobicContact CZ-CD2 4.4Å; F50-W101 AromaticContact CZ-CE3 3.96Å; F50-W101 HydrophobicContact CZ-CE3 3.96Å; F50-W101 HydrophobicContact CZ-CZ3 4.24Å; F50-F103 HydrophobicContact CB-CE1 3.79Å; F50-F103 HydrophobicContact CB-CZ 3.66Å; F50-F103 HydrophobicContact CD1-CE2 4.35Å; F50-F103 AromaticContact CD1-CZ 3.83Å; F50-F103 HydrophobicContact CD1-CZ 3.83Å; F50-F103 AromaticContact CD2-CZ 3.96Å; F50-F103 HydrophobicContact CD2-CZ 3.96Å; F50-F103 HydrophobicContact CE1-CZ 4.49Å; F50-F103 HydrophobicContact CG-CE1 4.17Å; F50-F103 HydrophobicContact CG-CE2 4.47Å; F50-F103 AromaticContact CG-CZ 3.53Å; F50-F103 HydrophobicContact CG-CZ 3.53Å |
| 51 | K | 88.8 | Confident | 90.5 | Very high | 30 Ų | 30 | 46.6 Ų | 46.6 | 13% | 0.13 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -44.7 | -43.2 | 174.7 | -78.5 | -178.4 | 174.4 | -169 | 0 | 114 | D37 V47 V48 I53 L54 L55 L176 | D37-K51 IonicContact OD1-NZ 2.77Å; D37-K51 IonicContact OD2-NZ 3.63Å; D37-K51 PolarHBondContact OD2-NZ 3.22Å; V47-K51 PolarHBondContact O-N 2.77Å; V48-K51 WeakPolarHBondContact O-CG 3.34Å; V48-K51 PolarHBondContact O-N 3.35Å; K51-I53 PolarHBondContact O-N 2.96Å; K51-L54 PolarHBondContact O-N 3.43Å; K51-L54 VanDerWaalsContact O-N 3.16Å; K51-L55 WeakPolarHBondContact O-CB 3.42Å; K51-L55 WeakPolarHBondContact O-CG 3.16Å; K51-L55 PolarHBondContact O-N 3.33Å; K51-L176 HydrophobicContact CD-CD2 4.37Å |
| 52 | P | 88.8 | Confident | 90.4 | Very high | 43 Ų | 43 | 46.2 Ų | 46.2 | 28% | 0.279 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -58.3 | -35 | 178.4 | -27.8 | 37.8 | 0 | 0 | 0 | 113.8 | F50 G56 I57 V58 L64 | F50-P52 VanDerWaalsContact C-N 3.26Å; F50-P52 VanDerWaalsContact O-N 3.13Å; P52-G56 PolarHBondContact O-N 3.29Å; P52-G56 VanDerWaalsContact O-N 3.12Å; P52-I57 HydrophobicContact CB-CG1 4.07Å; P52-I57 PolarHBondContact O-N 2.89Å; P52-V58 HydrophobicContact CB-CG2 3.99Å; P52-V58 WeakPolarHBondContact O-CG2 3.45Å; P52-V58 PolarHBondContact O-N 2.93Å; P52-L64 HydrophobicContact CG-CD1 4.49Å |
| 53 | I | 91.4 | Very high | 90.1 | Very high | 9 Ų | 9 | 53.7 Ų | 53.7 | 5% | 0.046 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -67 | -49.4 | 176 | -57.6 | 173.5 | 0 | 0 | 0 | 109.7 | F50 K51 L55 G56 V58 L64 L67 F103 | F50-I53 HydrophobicContact CB-CD1 4.42Å; F50-I53 HydrophobicContact CD1-CD1 4.12Å; F50-I53 WeakPolarHBondContact O-CB 3.39Å; F50-I53 PolarHBondContact O-N 3.32Å; K51-I53 PolarHBondContact O-N 2.96Å; I53-L55 PolarHBondContact O-N 3.23Å; I53-G56 PolarHBondContact O-N 2.66Å; I53-G56 VanDerWaalsContact O-N 3.12Å; I53-V58 VanDerWaalsContact CA-CG2 3.42Å; I53-V58 HydrophobicContact CB-CG2 4.12Å; I53-V58 HydrophobicContact CG1-CG2 3.67Å; I53-L64 HydrophobicContact CD1-CB 4.06Å; I53-L64 HydrophobicContact CD1-CD2 4.15Å; I53-L64 HydrophobicContact CG1-CB 4Å; I53-L67 HydrophobicContact CD1-CB 4.26Å; I53-L67 HydrophobicContact CD1-CD2 4.05Å; I53-F103 HydrophobicContact CB-CD1 4.38Å; I53-F103 HydrophobicContact CD1-CD2 3.95Å; I53-F103 HydrophobicContact CD1-CE1 4.41Å; I53-F103 HydrophobicContact CD1-CE2 3.8Å; I53-F103 HydrophobicContact CD1-CG 4.33Å; I53-F103 HydrophobicContact CD1-CZ 4.04Å; I53-F103 HydrophobicContact CG2-CB 3.73Å; I53-F103 HydrophobicContact CG2-CD1 3.84Å; I53-F103 HydrophobicContact CG2-CD2 4.3Å; I53-F103 HydrophobicContact CG2-CG 3.69Å |
| 54 | L | 89.1 | Confident | 90 | Very high | 6 Ų | 6 | 55.4 Ų | 55.4 | 3% | 0.031 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -61.9 | -30.8 | -178.8 | -55.3 | -175.8 | 0 | 0 | 0 | 113 | V47 F50 K51 F103 P181 M206 H224 | V47-L54 HydrophobicContact CG2-CD1 3.6Å; F50-L54 PolarHBondContact O-N 3.06Å; K51-L54 PolarHBondContact O-N 3.43Å; K51-L54 VanDerWaalsContact O-N 3.16Å; L54-F103 HydrophobicContact CD2-CD1 3.93Å; L54-F103 HydrophobicContact CD2-CE1 4.13Å; L54-P181 HydrophobicContact CB-CB 4.38Å; L54-P181 HydrophobicContact CB-CG 3.81Å; L54-P181 HydrophobicContact CD1-CB 3.95Å; L54-P181 HydrophobicContact CD1-CG 3.9Å; L54-M206 HydrophobicContact CD1-CE 4.45Å; L54-M206 HydrophobicContact CD1-SD 3.58Å; L54-M206 VanDerWaalsContact CD1-SD 3.58Å; L54-M206 HydrophobicContact CD2-SD 4.28Å; L54-H224 HydrophobicContact CD2-CB 3.56Å; L54-H224 VanDerWaalsContact CD2-CG 3.42Å; L54-H224 WeakPolarHBondContact CD2-ND1 3.29Å |
| 55 | L | 84.3 | Confident | 89.9 | Confident | 75 Ų | 75 | 55.6 Ų | 55.6 | 39% | 0.393 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.5 | -2.9 | -179.7 | -62.6 | 176.2 | 0 | 0 | 0 | 113.1 | K51 I53 I57 P181 | K51-L55 WeakPolarHBondContact O-CB 3.42Å; K51-L55 WeakPolarHBondContact O-CG 3.16Å; K51-L55 PolarHBondContact O-N 3.33Å; I53-L55 PolarHBondContact O-N 3.23Å; L55-I57 HydrophobicContact CB-CD1 4.16Å; L55-I57 HydrophobicContact CB-CG1 4.01Å; L55-I57 HydrophobicContact CB-CG2 4.43Å; L55-I57 HydrophobicContact CD1-CD1 4.15Å; L55-I57 PolarHBondContact O-N 2.9Å; L55-P181 HydrophobicContact CD2-CG 4.09Å |
| 56 | G | 85.4 | Confident | 89.9 | Confident | 68 Ų | 68 | 60.1 Ų | 60.1 | 70% | 0.701 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.4 | 21.9 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | P52 I53 | P52-G56 PolarHBondContact O-N 3.29Å; P52-G56 VanDerWaalsContact O-N 3.12Å; I53-G56 PolarHBondContact O-N 2.66Å; I53-G56 VanDerWaalsContact O-N 3.12Å |
| 57 | I | 87.1 | Confident | 89.9 | Confident | 115 Ų | 115 | 60.7 Ų | 60.7 | 59% | 0.59 | 34% | 0.34 | S | S | * | . | trans | -107.3 | 17.1 | -177 | 63.4 | 176.5 | 0 | 0 | 0 | 112.8 | P52 L55 R59 | P52-I57 HydrophobicContact CB-CG1 4.07Å; P52-I57 PolarHBondContact O-N 2.89Å; L55-I57 HydrophobicContact CB-CD1 4.16Å; L55-I57 HydrophobicContact CB-CG1 4.01Å; L55-I57 HydrophobicContact CB-CG2 4.43Å; L55-I57 HydrophobicContact CD1-CD1 4.15Å; L55-I57 PolarHBondContact O-N 2.9Å; I57-R59 PolarHBondContact O-N 2.87Å | ||
| 58 | V | 89.1 | Confident | 90.1 | Very high | 35 Ų | 35 | 63.7 Ų | 63.7 | 21% | 0.212 | 36% | 0.359 | C | S | . | . | trans | -64.9 | 132.2 | 177.4 | -172.4 | 0 | 0 | 0 | 0 | 109.8 | P52 I53 L64 A65 | P52-V58 HydrophobicContact CB-CG2 3.99Å; P52-V58 WeakPolarHBondContact O-CG2 3.45Å; P52-V58 PolarHBondContact O-N 2.93Å; I53-V58 VanDerWaalsContact CA-CG2 3.42Å; I53-V58 HydrophobicContact CB-CG2 4.12Å; I53-V58 HydrophobicContact CG1-CG2 3.67Å; V58-L64 HydrophobicContact CG1-CB 3.66Å; V58-L64 HydrophobicContact CG2-CB 4.39Å; V58-A65 HydrophobicContact CG1-CB 3.94Å | ||
| 59 | R | 88.2 | Confident | 90.4 | Very high | 181 Ų | 181 | 64.9 Ų | 64.9 | 68% | 0.683 | 36% | 0.364 | S | S | * | . | trans | -67.3 | 136.9 | 172.2 | -57.9 | -175.3 | 179 | -164.8 | -0.7 | 110.3 | I57 D61 S62 | I57-R59 PolarHBondContact O-N 2.87Å; R59-D61 WeakPolarHBondContact CB-OD1 3.21Å; R59-D61 PolarHBondContact O-N 2.64Å; R59-D61 VanDerWaalsContact O-N 3.09Å; R59-S62 VanDerWaalsContact O-CB 3.23Å; R59-S62 WeakPolarHBondContact O-CB 3.45Å; R59-S62 PolarHBondContact O-N 3.36Å | ||
| 60 | P | 87.5 | Confident | 90.6 | Very high | 128 Ų | 128 | 63.5 Ų | 63.5 | 83% | 0.831 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | -26.9 | -177.4 | -27.1 | 34.9 | 0 | 0 | 0 | 115.1 | ||
| 61 | D | 89.3 | Confident | 90.9 | Very high | 139 Ų | 139 | 63.5 Ų | 63.5 | 74% | 0.743 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.4 | -6.4 | 178.6 | 64.8 | -28.3 | 0 | 0 | 0 | 113.7 | R59 | R59-D61 WeakPolarHBondContact CB-OD1 3.21Å; R59-D61 PolarHBondContact O-N 2.64Å; R59-D61 VanDerWaalsContact O-N 3.09Å |
| 62 | S | 89.8 | Confident | 91.4 | Very high | 43 Ų | 43 | 62.1 Ų | 62.1 | 30% | 0.301 | 35% | 0.351 | S | S | . | . | S | Bend | trans | -76.2 | 142 | 178.6 | -179.9 | 0 | 0 | 0 | 0 | 111.5 | R59 L64 A65 | R59-S62 VanDerWaalsContact O-CB 3.23Å; R59-S62 WeakPolarHBondContact O-CB 3.45Å; R59-S62 PolarHBondContact O-N 3.36Å; S62-L64 PolarHBondContact O-N 2.89Å; S62-L64 PolarHBondContact OG-N 3.38Å; S62-A65 VanDerWaalsContact O-CB 3.26Å; S62-A65 WeakPolarHBondContact O-CB 3.27Å; S62-A65 PolarHBondContact O-N 3.37Å |
| 63 | R | 88.2 | Confident | 91.8 | Very high | 162 Ų | 162 | 62.1 Ų | 62.1 | 61% | 0.611 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.5 | -23.6 | 168.7 | 178.2 | 176.1 | 153.5 | 178.9 | -5.8 | 112.8 | H25 A65 | H25-R63 PolarHBondContact O-NH2 2.83Å; R63-A65 PolarHBondContact O-N 3.23Å |
| 64 | L | 91.9 | Very high | 92.1 | Very high | 39 Ų | 39 | 61.7 Ų | 61.7 | 20% | 0.204 | 34% | 0.344 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | -22.7 | 175.4 | -63.4 | -176.8 | 0 | 0 | 0 | 112.8 | F50 P52 I53 V58 S62 S66 L67 | F50-L64 HydrophobicContact CD1-CD2 4.09Å; F50-L64 HydrophobicContact CE1-CD2 4.28Å; P52-L64 HydrophobicContact CG-CD1 4.49Å; I53-L64 HydrophobicContact CD1-CB 4.06Å; I53-L64 HydrophobicContact CD1-CD2 4.15Å; I53-L64 HydrophobicContact CG1-CB 4Å; V58-L64 HydrophobicContact CG1-CB 3.66Å; V58-L64 HydrophobicContact CG2-CB 4.39Å; S62-L64 PolarHBondContact O-N 2.89Å; S62-L64 PolarHBondContact OG-N 3.38Å; L64-S66 VanDerWaalsContact C-N 3.33Å; L64-S66 PolarHBondContact O-N 2.99Å; L64-L67 HydrophobicContact CD2-CD2 3.87Å; L64-L67 WeakPolarHBondContact O-CB 3.47Å; L64-L67 PolarHBondContact O-N 3.26Å |
| 65 | A | 90.8 | Very high | 92.5 | Very high | 56 Ų | 56 | 61.8 Ų | 61.8 | 46% | 0.463 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68 | -33 | -174.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | V58 S62 R63 | V58-A65 HydrophobicContact CG1-CB 3.94Å; S62-A65 VanDerWaalsContact O-CB 3.26Å; S62-A65 WeakPolarHBondContact O-CB 3.27Å; S62-A65 PolarHBondContact O-N 3.37Å; R63-A65 PolarHBondContact O-N 3.23Å |
| 66 | S | 92.2 | Very high | 93.1 | Very high | 99 Ų | 99 | 58.2 Ų | 58.2 | 69% | 0.692 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.1 | 1.8 | 177.6 | 64.2 | 0 | 0 | 0 | 0 | 113.6 | L64 T68 | L64-S66 VanDerWaalsContact C-N 3.33Å; L64-S66 PolarHBondContact O-N 2.99Å; S66-T68 PolarHBondContact O-N 3.44Å |
| 67 | L | 96.1 | Very high | 93.7 | Very high | 12 Ų | 12 | 55 Ų | 55 | 6% | 0.063 | 29% | 0.292 | C | S | . | . | trans | -82.1 | 108.4 | -173.4 | -171.5 | 65.8 | 0 | 0 | 0 | 110.2 | T24 V26 F50 I53 L64 A70 F103 | T24-L67 HydrophobicContact CG2-CD1 4.15Å; V26-L67 HydrophobicContact CG2-CD1 4.43Å; V26-L67 HydrophobicContact CG2-CD2 4.17Å; F50-L67 HydrophobicContact CD1-CD2 4.04Å; F50-L67 HydrophobicContact CE1-CD2 3.68Å; I53-L67 HydrophobicContact CD1-CB 4.26Å; I53-L67 HydrophobicContact CD1-CD2 4.05Å; L64-L67 HydrophobicContact CD2-CD2 3.87Å; L64-L67 WeakPolarHBondContact O-CB 3.47Å; L64-L67 PolarHBondContact O-N 3.26Å; L67-A70 HydrophobicContact CD1-CB 4.25Å; L67-A70 HydrophobicContact CD2-CB 3.99Å; L67-A70 HydrophobicContact CG-CB 4.29Å; L67-F103 HydrophobicContact CD2-CE2 4.07Å; L67-F103 HydrophobicContact CG-CD2 4.48Å; L67-F103 HydrophobicContact CG-CE2 4.12Å; L67-F103 WeakPolarHBondContact O-CD2 3.44Å | ||
| 68 | T | 96.2 | Very high | 94 | Very high | 67 Ų | 67 | 53.4 Ų | 53.4 | 41% | 0.411 | 28% | 0.278 | S | S | . | . | S | Bend | trans | -94.5 | -33.9 | 177.9 | 56.6 | 0 | 0 | 0 | 0 | 112.7 | S66 S102 F103 | S66-T68 PolarHBondContact O-N 3.44Å; T68-S102 WeakPolarHBondContact O-CA 3.37Å; T68-F103 PolarHBondContact O-N 3.24Å |
| 69 | K | 97.9 | Very high | 94.1 | Very high | 27 Ų | 27 | 54.9 Ų | 54.9 | 12% | 0.117 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 134.7 | -178.6 | -71.4 | -175 | -64.5 | -179.4 | 0 | 110.9 | L21 G22 Y23 T24 W101 L107 | L21-K69 PolarHBondContact O-NZ 2.97Å; G22-K69 WeakPolarHBondContact O-CE 3.39Å; Y23-K69 HydrophobicContact CD1-CB 3.59Å; Y23-K69 HydrophobicContact CD1-CD 4.35Å; Y23-K69 HydrophobicContact CD1-CG 4.27Å; Y23-K69 HydrophobicContact CD2-CB 4.39Å; Y23-K69 HydrophobicContact CD2-CD 4Å; Y23-K69 HydrophobicContact CE1-CB 3.98Å; Y23-K69 HydrophobicContact CE1-CD 4.17Å; Y23-K69 HydrophobicContact CE1-CG 4.18Å; Y23-K69 HydrophobicContact CE2-CD 3.83Å; Y23-K69 HydrophobicContact CG-CB 3.83Å; Y23-K69 HydrophobicContact CG-CD 4.28Å; T24-K69 PolarHBondContact N-O 3.45Å; K69-W101 CarbonylContact C-O 3.59Å; K69-W101 WeakPolarHBondContact CA-O 3.4Å; K69-L107 HydrophobicContact CD-CD1 3.79Å; K69-L107 HydrophobicContact CD-CD2 4.36Å; K69-L107 HydrophobicContact CD-CG 4.08Å; K69-L107 HydrophobicContact CG-CD1 4.44Å |
| 70 | A | 98.3 | Very high | 94 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 149.8 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y23 T24 V26 F50 L67 N100 W101 F103 | Y23-A70 VanDerWaalsContact CD1-O 3.32Å; Y23-A70 WeakPolarHBondContact CD1-O 3.46Å; T24-A70 CarbonylContact O-C 3.54Å; T24-A70 VanDerWaalsContact O-CA 3.25Å; T24-A70 WeakPolarHBondContact O-CA 3.5Å; V26-A70 HydrophobicContact CG2-CB 3.97Å; F50-A70 HydrophobicContact CE1-CB 4.1Å; F50-A70 HydrophobicContact CE2-CB 4.42Å; F50-A70 HydrophobicContact CZ-CB 3.81Å; L67-A70 HydrophobicContact CD1-CB 4.25Å; L67-A70 HydrophobicContact CD2-CB 3.99Å; L67-A70 HydrophobicContact CG-CB 4.29Å; A70-N100 CarbonylContact O-C 3.6Å; A70-N100 VanDerWaalsContact O-CA 3.23Å; A70-N100 WeakPolarHBondContact O-CA 3.43Å; A70-W101 HydrophobicContact CB-CB 4.44Å; A70-W101 HydrophobicContact CB-CE3 3.92Å; A70-W101 PolarHBondContact N-O 3.04Å; A70-W101 PolarHBondContact O-N 3.5Å; A70-F103 HydrophobicContact CB-CE2 4.19Å |
| 71 | V | 98.7 | Very high | 94.1 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 141.6 | 173.1 | 62.9 | 0 | 0 | 0 | 0 | 110 | F14 V15 F18 E19 T24 H25 V26 G99 N100 | F14-V71 HydrophobicContact CD1-CG2 3.79Å; F14-V71 HydrophobicContact CE1-CG2 3.37Å; F14-V71 HydrophobicContact CZ-CG2 4.29Å; V15-V71 HydrophobicContact CG1-CG1 4.37Å; F18-V71 HydrophobicContact CB-CB 3.77Å; F18-V71 HydrophobicContact CB-CG1 3.93Å; F18-V71 HydrophobicContact CB-CG2 3.69Å; F18-V71 HydrophobicContact CD2-CG2 3.78Å; F18-V71 HydrophobicContact CG-CB 4.38Å; F18-V71 HydrophobicContact CG-CG2 3.98Å; E19-V71 HydrophobicContact CG-CG1 4.44Å; T24-V71 PolarHBondContact O-N 3.48Å; H25-V71 WeakPolarHBondContact CA-O 3.47Å; H25-V71 HydrophobicContact CB-CG1 4.33Å; H25-V71 PolarHBondContact CD2-O 3Å; V26-V71 PolarHBondContact N-O 2.95Å; V26-V71 VanDerWaalsContact N-O 3.1Å; V71-G99 CarbonylContact C-O 3.57Å; V71-G99 WeakPolarHBondContact CA-O 3.46Å; V71-G99 WeakPolarHBondContact CG2-O 3.14Å; V71-N100 HydrophobicContact CG2-CB 4.42Å |
| 72 | N | 98.2 | Very high | 94.1 | Very high | 1 Ų | 1 | 39.7 Ų | 39.7 | 1% | 0.005 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -162.2 | -173.6 | 169.4 | 79.3 | 18.6 | 0 | 0 | 0 | 113.6 | V26 Q49 Q74 G99 W101 | V26-N72 WeakPolarHBondContact O-CB 3.45Å; V26-N72 PolarHBondContact O-ND2 2.82Å; Q49-N72 PolarHBondContact NE2-ND2 2.81Å; N72-Q74 PolarHBondContact OD1-N 3.17Å; N72-G99 PolarHBondContact N-O 3.44Å; N72-G99 PolarHBondContact O-N 2.86Å; N72-W101 HydrophobicContact CB-CZ3 4.32Å; N72-W101 WeakPolarHBondContact OD1-CH2 3.4Å |
| 73 | Y | 98 | Very high | 93.9 | Very high | 42 Ų | 42 | 39.5 Ų | 39.5 | 17% | 0.165 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 104.2 | 162.5 | 44 | -85.4 | 0 | 0 | 0 | 109.3 | R11 V15 S28 M97 A346 Y347 | R11-Y73 HydrophobicContact CB-CD1 4.09Å; R11-Y73 HydrophobicContact CB-CE1 4.22Å; R11-Y73 HydrophobicContact CG-CD1 4.24Å; R11-Y73 HydrophobicContact CG-CD2 4.43Å; R11-Y73 HydrophobicContact CG-CG 4.16Å; V15-Y73 HydrophobicContact CG2-CD1 3.87Å; V15-Y73 HydrophobicContact CG2-CE1 4Å; S28-Y73 WeakPolarHBondContact CB-O 2.95Å; S28-Y73 PolarHBondContact OG-O 2.68Å; Y73-M97 CarbonylContact C-O 3.53Å; Y73-M97 WeakPolarHBondContact CA-O 3.37Å; Y73-A346 HydrophobicContact CE2-CB 4.42Å; Y73-Y347 HydrophobicContact CD2-CE1 4.36Å; Y73-Y347 AromaticContact CD2-CZ 3.99Å; Y73-Y347 VanDerWaalsContact CD2-OH 3.31Å; Y73-Y347 WeakPolarHBondContact CD2-OH 3.43Å; Y73-Y347 HydrophobicContact CE2-CE1 4.06Å; Y73-Y347 AromaticContact CE2-CZ 3.95Å |
| 74 | Q | 97.9 | Very high | 94 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 127.7 | -177.8 | -178.1 | 60.3 | 50 | 0 | 0 | 111 | S28 A29 T43 N72 C76 E96 M97 | S28-Q74 WeakPolarHBondContact OG-CA 3.34Å; S28-Q74 PolarHBondContact OG-NE2 3.38Å; A29-Q74 PolarHBondContact O-NE2 2.74Å; T43-Q74 HydrophobicContact CG2-CG 4.08Å; N72-Q74 PolarHBondContact OD1-N 3.17Å; Q74-C76 PolarHBondContact O-N 3.21Å; Q74-E96 CarbonylContact O-C 3.39Å; Q74-E96 WeakPolarHBondContact O-CA 3.44Å; Q74-M97 PolarHBondContact N-O 3.34Å; Q74-M97 PolarHBondContact O-N 3.36Å |
| 75 | R | 97.9 | Very high | 94.1 | Very high | 9 Ų | 9 | 33.5 Ų | 33.5 | 3% | 0.034 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 125.9 | 165.8 | -64.8 | 175.4 | -67.4 | 148.9 | 7.9 | 109.1 | S28 A29 L31 F94 F294 D298 Y347 | S28-R75 PolarHBondContact OG-N 3.18Å; A29-R75 PolarHBondContact O-NH2 2.96Å; A29-R75 VanDerWaalsContact O-NH2 3.08Å; L31-R75 HydrophobicContact CD2-CB 3.88Å; L31-R75 VanDerWaalsContact CD2-O 3.24Å; L31-R75 WeakPolarHBondContact CD2-O 3.47Å; R75-F94 HydrophobicContact CB-CE2 3.87Å; R75-F94 HydrophobicContact CB-CZ 4.06Å; R75-F94 HydrophobicContact CG-CE2 4.24Å; R75-F94 HydrophobicContact CG-CZ 3.98Å; R75-F294 VanDerWaalsContact CD-CD1 3.44Å; R75-F294 HydrophobicContact CG-CE1 4.47Å; R75-D298 IonicContact CZ-OD1 2.84Å; R75-D298 IonicContact CZ-OD2 2.7Å; R75-D298 IonicContact NH1-OD1 3.25Å; R75-D298 PolarHBondContact NH1-OD1 3.37Å; R75-D298 IonicContact NH1-OD2 2.92Å; R75-D298 PolarHBondContact NH1-OD2 2.98Å; R75-D298 IonicContact NH2-OD1 3.81Å; R75-D298 PolarHBondContact NH2-OD1 2.96Å; R75-D298 IonicContact NH2-OD2 2.76Å; R75-D298 PolarHBondContact NH2-OD2 2.67Å; R75-Y347 VanDerWaalsContact CD-CE1 3.44Å; R75-Y347 HydrophobicContact CG-CE1 3.67Å; R75-Y347 HydrophobicContact CG-CE2 4.33Å; R75-Y347 VanDerWaalsContact CG-OH 3.26Å; R75-Y347 WeakPolarHBondContact CG-OH 3.5Å |
| 76 | C | 97.2 | Very high | 94.2 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 147.8 | -175.1 | -68.2 | 0 | 0 | 0 | 0 | 111.5 | T43 Q74 F94 F95 | T43-C76 WeakPolarHBondContact O-CA 3.44Å; Q74-C76 PolarHBondContact O-N 3.21Å; C76-F94 WeakPolarHBondContact O-CA 3.42Å; C76-F95 HydrophobicContact CB-CD1 4.14Å; C76-F95 HydrophobicContact CB-CD2 4.35Å; C76-F95 HydrophobicContact CB-CE1 3.56Å; C76-F95 HydrophobicContact CB-CE2 3.88Å; C76-F95 HydrophobicContact CB-CG 4.47Å; C76-F95 HydrophobicContact CB-CZ 3.44Å; C76-F95 VanDerWaalsContact CB-CZ 3.44Å; C76-F95 PolarHBondContact N-O 3.1Å; C76-F95 PolarHBondContact O-N 3.25Å; C76-F95 VanDerWaalsContact O-N 3.16Å |
| 77 | V | 97.2 | Very high | 94.2 | Very high | 1 Ų | 1 | 29.6 Ų | 29.6 | 1% | 0.006 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 130 | 168.7 | 173.9 | 0 | 0 | 0 | 0 | 109.8 | L31 F42 T43 N44 L79 S93 F94 M291 | L31-V77 HydrophobicContact CD1-CG2 3.87Å; L31-V77 HydrophobicContact CD2-CG2 4.01Å; F42-V77 HydrophobicContact CB-CB 3.71Å; F42-V77 HydrophobicContact CB-CG1 4.13Å; F42-V77 HydrophobicContact CB-CG2 4.24Å; F42-V77 HydrophobicContact CD1-CB 4.47Å; F42-V77 HydrophobicContact CD1-CG2 4.14Å; F42-V77 HydrophobicContact CD2-CG1 4.13Å; F42-V77 HydrophobicContact CG-CB 4.02Å; F42-V77 HydrophobicContact CG-CG1 4.12Å; F42-V77 HydrophobicContact CG-CG2 4.19Å; T43-V77 PolarHBondContact O-N 2.79Å; N44-V77 WeakPolarHBondContact CB-O 3.41Å; V77-L79 HydrophobicContact CG1-CD2 3.79Å; V77-S93 CarbonylContact C-O 3.36Å; V77-S93 VanDerWaalsContact CA-O 3.23Å; V77-S93 WeakPolarHBondContact CA-O 3.48Å; V77-F94 HydrophobicContact CG2-CD2 4.49Å; V77-M291 HydrophobicContact CG1-CE 3.77Å; V77-M291 HydrophobicContact CG1-CG 4.29Å; V77-M291 HydrophobicContact CG2-CE 4.17Å; V77-M291 HydrophobicContact CG2-CG 3.97Å |
| 78 | R | 93.9 | Very high | 94.1 | Very high | 80 Ų | 80 | 31.1 Ų | 31.1 | 30% | 0.302 | 17% | 0.166 | S | C | . | . | trans | -111.2 | 105.6 | 177 | -169.6 | 176.4 | -75.9 | -172.5 | -1.8 | 111 | T80 D81 S93 F95 | R78-T80 VanDerWaalsContact CG-OG1 3.26Å; R78-T80 WeakPolarHBondContact CG-OG1 3.25Å; R78-T80 PolarHBondContact O-N 2.96Å; R78-D81 HydrophobicContact CB-CB 4.39Å; R78-D81 WeakPolarHBondContact CD-OD1 3.49Å; R78-D81 WeakPolarHBondContact CD-OD2 3.48Å; R78-D81 HydrophobicContact CG-CB 4.23Å; R78-D81 WeakPolarHBondContact CG-OD1 3.45Å; R78-D81 IonicContact NH1-OD2 2.72Å; R78-D81 PolarHBondContact O-N 2.94Å; R78-S93 PolarHBondContact N-O 2.95Å; R78-F95 HydrophobicContact CB-CD1 4.47Å; R78-F95 HydrophobicContact CB-CE1 3.82Å | ||
| 79 | L | 90.8 | Very high | 94 | Very high | 67 Ų | 67 | 32 Ų | 32 | 35% | 0.351 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.7 | -29.6 | -174.4 | -59 | -177.1 | 0 | 0 | 0 | 113.8 | L41 F42 V77 D81 L82 V310 | L41-L79 HydrophobicContact CB-CD1 4.12Å; L41-L79 HydrophobicContact CD1-CD1 4.05Å; L41-L79 HydrophobicContact CG-CD1 4.48Å; F42-L79 HydrophobicContact CD2-CD2 4.13Å; V77-L79 HydrophobicContact CG1-CD2 3.79Å; L79-D81 PolarHBondContact O-N 3.32Å; L79-L82 HydrophobicContact CB-CD1 4.39Å; L79-L82 HydrophobicContact CD2-CD1 3.68Å; L79-L82 PolarHBondContact O-N 2.97Å; L79-V310 HydrophobicContact CD2-CG1 3.57Å; L79-V310 HydrophobicContact CD2-CG2 4.44Å |
| 80 | T | 86.8 | Confident | 93.7 | Very high | 112 Ų | 112 | 33 Ų | 33 | 69% | 0.687 | 17% | 0.173 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | -26.3 | 177.1 | 50.6 | 0 | 0 | 0 | 0 | 112.3 | R78 | R78-T80 VanDerWaalsContact CG-OG1 3.26Å; R78-T80 WeakPolarHBondContact CG-OG1 3.25Å; R78-T80 PolarHBondContact O-N 2.96Å |
| 81 | D | 89.5 | Confident | 93.5 | Very high | 8 Ų | 8 | 35.6 Ų | 35.6 | 4% | 0.043 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.3 | -19.8 | -171.8 | -68.5 | 26.5 | 0 | 0 | 0 | 112 | R78 L79 D83 I84 V85 H91 L92 | R78-D81 HydrophobicContact CB-CB 4.39Å; R78-D81 WeakPolarHBondContact CD-OD1 3.49Å; R78-D81 WeakPolarHBondContact CD-OD2 3.48Å; R78-D81 HydrophobicContact CG-CB 4.23Å; R78-D81 WeakPolarHBondContact CG-OD1 3.45Å; R78-D81 IonicContact NH1-OD2 2.72Å; R78-D81 PolarHBondContact O-N 2.94Å; L79-D81 PolarHBondContact O-N 3.32Å; D81-D83 PolarHBondContact O-N 2.97Å; D81-I84 PolarHBondContact O-N 3.24Å; D81-V85 HydrophobicContact CB-CG2 4.43Å; D81-V85 WeakPolarHBondContact O-CG2 3.34Å; D81-V85 PolarHBondContact O-N 2.87Å; D81-H91 HydrophobicContact CB-CB 4.12Å; D81-H91 VanDerWaalsContact CG-CD2 3.47Å; D81-H91 IonicContact OD1-CD2 3.82Å; D81-H91 IonicContact OD2-CD2 3.63Å; D81-H91 PolarHBondContact OD2-CD2 3.31Å; D81-H91 VanDerWaalsContact OD2-CD2 3.28Å; D81-H91 IonicContact OD2-CG 2.93Å; D81-L92 WeakPolarHBondContact CB-O 3.34Å; D81-L92 PolarHBondContact OD2-N 2.71Å |
| 82 | L | 88.9 | Confident | 93.5 | Very high | 9 Ų | 9 | 36 Ų | 36 | 5% | 0.047 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -47.9 | -35.1 | -176.2 | -78.5 | 171.8 | 0 | 0 | 0 | 113.3 | L79 S93 V310 T314 R317 | L79-L82 HydrophobicContact CB-CD1 4.39Å; L79-L82 HydrophobicContact CD2-CD1 3.68Å; L79-L82 PolarHBondContact O-N 2.97Å; L82-S93 VanDerWaalsContact CD2-CB 3.46Å; L82-V310 HydrophobicContact CD1-CG1 3.8Å; L82-T314 HydrophobicContact CD2-CG2 4.09Å; L82-T314 WeakPolarHBondContact CD2-OG1 3.37Å; L82-R317 PolarHBondContact O-NE 2.88Å; L82-R317 PolarHBondContact O-NH1 3.17Å |
| 83 | D | 85.7 | Confident | 93.4 | Very high | 39 Ų | 39 | 36 Ų | 36 | 21% | 0.209 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.6 | -20.6 | -177.3 | -73.8 | -9 | 0 | 0 | 0 | 113.5 | D81 K313 R317 R407 | D81-D83 PolarHBondContact O-N 2.97Å; D83-K313 WeakPolarHBondContact OD1-CE 3.25Å; D83-K313 IonicContact OD1-NZ 3.35Å; D83-K313 PolarHBondContact OD1-NZ 3.4Å; D83-K313 IonicContact OD2-NZ 2.95Å; D83-K313 PolarHBondContact OD2-NZ 3.01Å; D83-R317 PolarHBondContact O-NH1 3.46Å; D83-R317 PolarHBondContact O-NH2 3.22Å; D83-R317 IonicContact OD1-NH1 3.6Å; D83-R407 IonicContact OD2-CZ 3.42Å; D83-R407 IonicContact OD2-NE 3.05Å; D83-R407 IonicContact OD2-NH2 3.01Å; D83-R407 PolarHBondContact OD2-NH2 2.92Å |
| 84 | I | 89.4 | Confident | 93.4 | Very high | 74 Ų | 74 | 34 Ų | 34 | 38% | 0.379 | 18% | 0.179 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -108.1 | -19.3 | -171.5 | -60.1 | 165.6 | 0 | 0 | 0 | 112.7 | D81 G86 C87 H91 | D81-I84 PolarHBondContact O-N 3.24Å; I84-G86 PolarHBondContact O-N 3.38Å; I84-C87 HydrophobicContact CG2-CB 4.48Å; I84-C87 VanDerWaalsContact O-CB 3.25Å; I84-C87 WeakPolarHBondContact O-CB 3.23Å; I84-C87 PolarHBondContact O-N 3.25Å; I84-C87 PolarHBondContact O-SG 3.14Å; I84-H91 HydrophobicContact CG2-CB 4.36Å |
| 85 | V | 94.5 | Very high | 93.4 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -45.1 | 133.3 | 177.1 | 168.4 | 0 | 0 | 0 | 0 | 111.5 | D81 C87 S93 I284 D287 R317 | D81-V85 HydrophobicContact CB-CG2 4.43Å; D81-V85 WeakPolarHBondContact O-CG2 3.34Å; D81-V85 PolarHBondContact O-N 2.87Å; V85-C87 VanDerWaalsContact C-N 3.31Å; V85-S93 VanDerWaalsContact CG2-N 3.29Å; V85-I284 WeakPolarHBondContact O-CG1 3.45Å; V85-D287 HydrophobicContact CG1-CB 3.7Å; V85-D287 WeakPolarHBondContact CG1-OD2 3.42Å; V85-R317 PolarHBondContact O-NH2 2.78Å |
| 86 | G | 93.6 | Very high | 93.4 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 88.5 | -15.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | I84 C280 R283 | I84-G86 PolarHBondContact O-N 3.38Å; G86-C280 VanDerWaalsContact C-SG 3.59Å; G86-C280 PolarHBondContact O-SG 3.23Å; G86-C280 VanDerWaalsContact O-SG 3.4Å; G86-R283 VanDerWaalsContact O-CZ 3.25Å; G86-R283 PolarHBondContact O-NE 3.14Å; G86-R283 PolarHBondContact O-NH2 3.4Å |
| 87 | C | 92.5 | Very high | 93.5 | Very high | 74 Ų | 74 | 35.5 Ų | 35.5 | 50% | 0.5 | 19% | 0.186 | S | C | . | . | S | Bend | trans | -81.4 | -20.3 | 177.7 | -59.1 | 0 | 0 | 0 | 0 | 113.1 | I84 V85 | I84-C87 HydrophobicContact CG2-CB 4.48Å; I84-C87 VanDerWaalsContact O-CB 3.25Å; I84-C87 WeakPolarHBondContact O-CB 3.23Å; I84-C87 PolarHBondContact O-N 3.25Å; I84-C87 PolarHBondContact O-SG 3.14Å; V85-C87 VanDerWaalsContact C-N 3.31Å |
| 88 | D | 93.4 | Very high | 93.5 | Very high | 43 Ų | 43 | 35.4 Ų | 35.4 | 23% | 0.23 | 19% | 0.186 | C | C | . | . | S | Bend | trans | -143.5 | -176.1 | 177.4 | 65.1 | 51.6 | 0 | 0 | 0 | 112.9 | S90 H91 Y270 | D88-S90 PolarHBondContact OD1-N 3.36Å; D88-S90 PolarHBondContact OD1-OG 2.66Å; D88-S90 VanDerWaalsContact OD1-OG 3.08Å; D88-H91 IonicContact OD1-CG 3.29Å; D88-H91 PolarHBondContact OD1-N 3.37Å; D88-H91 IonicContact OD1-ND1 3.31Å; D88-H91 PolarHBondContact OD1-ND1 3.3Å; D88-H91 VanDerWaalsContact OD1-ND1 3.07Å; D88-H91 IonicContact OD2-CE1 3.66Å; D88-H91 PolarHBondContact OD2-CE1 3.3Å; D88-H91 VanDerWaalsContact OD2-CE1 3.31Å; D88-H91 IonicContact OD2-CG 3.99Å; D88-H91 IonicContact OD2-ND1 3.77Å; D88-H91 PolarHBondContact OD2-ND1 3.32Å; D88-Y270 VanDerWaalsContact O-CE1 3.27Å; D88-Y270 WeakPolarHBondContact O-CE1 3.32Å |
| 89 | R | 94 | Very high | 93.7 | Very high | 85 Ų | 85 | 31.6 Ų | 31.6 | 32% | 0.321 | 17% | 0.172 | S | C | . | . | S | Bend | trans | -85.4 | -4.1 | -173.6 | -66.5 | 179.6 | 178.9 | 92.3 | -2.4 | 114.3 | R196 P244 Y270 | R89-R196 VanDerWaalsContact CD-NH1 3.27Å; R89-P244 WeakPolarHBondContact O-CD 3.49Å; R89-Y270 HydrophobicContact CG-CD2 4.21Å; R89-Y270 HydrophobicContact CG-CE1 4.06Å; R89-Y270 HydrophobicContact CG-CE2 3.54Å; R89-Y270 VanDerWaalsContact CG-CZ 3.46Å |
| 90 | S | 90.9 | Very high | 94.1 | Very high | 50 Ų | 50 | 28.5 Ų | 28.5 | 35% | 0.35 | 16% | 0.155 | S | C | . | . | S | Bend | trans | -127.1 | -31.7 | -162 | 47.5 | 0 | 0 | 0 | 0 | 115.8 | D88 | D88-S90 PolarHBondContact OD1-N 3.36Å; D88-S90 PolarHBondContact OD1-OG 2.66Å; D88-S90 VanDerWaalsContact OD1-OG 3.08Å |
| 91 | H | 95 | Very high | 94.7 | Very high | 54 Ų | 54 | 23.1 Ų | 23.1 | 25% | 0.25 | 12% | 0.122 | C | C | . | . | trans | -82.3 | 132.9 | -176.6 | -65.2 | 94 | 0 | 0 | 0 | 111.2 | D81 I84 D88 | D81-H91 HydrophobicContact CB-CB 4.12Å; D81-H91 VanDerWaalsContact CG-CD2 3.47Å; D81-H91 IonicContact OD1-CD2 3.82Å; D81-H91 IonicContact OD2-CD2 3.63Å; D81-H91 PolarHBondContact OD2-CD2 3.31Å; D81-H91 VanDerWaalsContact OD2-CD2 3.28Å; D81-H91 IonicContact OD2-CG 2.93Å; I84-H91 HydrophobicContact CG2-CB 4.36Å; D88-H91 IonicContact OD1-CG 3.29Å; D88-H91 PolarHBondContact OD1-N 3.37Å; D88-H91 IonicContact OD1-ND1 3.31Å; D88-H91 PolarHBondContact OD1-ND1 3.3Å; D88-H91 VanDerWaalsContact OD1-ND1 3.07Å; D88-H91 IonicContact OD2-CE1 3.66Å; D88-H91 PolarHBondContact OD2-CE1 3.3Å; D88-H91 VanDerWaalsContact OD2-CE1 3.31Å; D88-H91 IonicContact OD2-CG 3.99Å; D88-H91 IonicContact OD2-ND1 3.77Å; D88-H91 PolarHBondContact OD2-ND1 3.32Å | ||
| 92 | L | 97.6 | Very high | 95 | Very high | 9 Ų | 9 | 22.8 Ų | 22.8 | 5% | 0.047 | 12% | 0.121 | C | C | . | . | trans | -135.4 | 137.9 | -178.8 | -64.1 | 177.6 | 0 | 0 | 0 | 108.6 | D81 F95 E232 P244 F245 F250 D287 | D81-L92 WeakPolarHBondContact CB-O 3.34Å; D81-L92 PolarHBondContact OD2-N 2.71Å; L92-F95 HydrophobicContact CB-CB 4.4Å; L92-F95 HydrophobicContact CD1-CB 4.05Å; L92-E232 HydrophobicContact CD1-CB 3.8Å; L92-E232 HydrophobicContact CD1-CG 3.69Å; L92-P244 HydrophobicContact CD1-CB 4.44Å; L92-F245 HydrophobicContact CD2-CE1 3.83Å; L92-F245 HydrophobicContact CD2-CE2 4.4Å; L92-F245 HydrophobicContact CD2-CZ 3.62Å; L92-F250 HydrophobicContact CD2-CE2 4.45Å; L92-F250 HydrophobicContact CD2-CZ 3.83Å; L92-D287 WeakPolarHBondContact CA-OD1 3.33Å | ||
| 93 | S | 96.4 | Very high | 95.4 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 12% | 0.119 | C | C | . | . | S | Bend | trans | -79.2 | -29.6 | 172.1 | 73.2 | 0 | 0 | 0 | 0 | 111.4 | V77 R78 L82 V85 D287 H288 | V77-S93 CarbonylContact C-O 3.36Å; V77-S93 VanDerWaalsContact CA-O 3.23Å; V77-S93 WeakPolarHBondContact CA-O 3.48Å; R78-S93 PolarHBondContact N-O 2.95Å; L82-S93 VanDerWaalsContact CD2-CB 3.46Å; V85-S93 VanDerWaalsContact CG2-N 3.29Å; S93-D287 WeakPolarHBondContact CB-OD2 3.33Å; S93-D287 PolarHBondContact N-OD1 2.95Å; S93-D287 PolarHBondContact N-OD2 3.35Å; S93-D287 PolarHBondContact OG-OD2 3.03Å; S93-H288 PolarHBondContact OG-ND1 3.18Å |
| 94 | F | 98.2 | Very high | 95.8 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 132.4 | 176.7 | 173.7 | -85.9 | 0 | 0 | 0 | 110.7 | L31 R75 C76 V77 E96 D287 R290 M291 F294 | L31-F94 HydrophobicContact CD1-CD2 4.41Å; L31-F94 HydrophobicContact CD1-CE2 4.3Å; R75-F94 HydrophobicContact CB-CE2 3.87Å; R75-F94 HydrophobicContact CB-CZ 4.06Å; R75-F94 HydrophobicContact CG-CE2 4.24Å; R75-F94 HydrophobicContact CG-CZ 3.98Å; C76-F94 WeakPolarHBondContact O-CA 3.42Å; V77-F94 HydrophobicContact CG2-CD2 4.49Å; F94-E96 HydrophobicContact CE1-CG 4.45Å; F94-E96 HydrophobicContact CZ-CG 4.46Å; F94-D287 PolarHBondContact N-OD1 3.47Å; F94-R290 HydrophobicContact CB-CB 4.44Å; F94-R290 HydrophobicContact CD1-CB 3.82Å; F94-R290 HydrophobicContact CE1-CB 4.49Å; F94-R290 HydrophobicContact CG-CB 4.3Å; F94-R290 PolarHBondContact O-NH1 3.06Å; F94-M291 HydrophobicContact CB-CB 3.71Å; F94-M291 HydrophobicContact CB-CG 4.32Å; F94-F294 HydrophobicContact CD1-CD2 4.42Å; F94-F294 HydrophobicContact CD2-CB 4.49Å; F94-F294 HydrophobicContact CD2-CD2 4.14Å; F94-F294 AromaticContact CE1-CD2 3.71Å; F94-F294 HydrophobicContact CE1-CD2 3.71Å; F94-F294 AromaticContact CE1-CE2 3.63Å; F94-F294 HydrophobicContact CE1-CE2 3.63Å; F94-F294 HydrophobicContact CE2-CB 3.9Å; F94-F294 AromaticContact CE2-CD2 3.34Å; F94-F294 HydrophobicContact CE2-CD2 3.34Å; F94-F294 AromaticContact CE2-CE2 3.99Å; F94-F294 HydrophobicContact CE2-CE2 3.99Å; F94-F294 AromaticContact CE2-CG 3.77Å; F94-F294 HydrophobicContact CE2-CG 3.77Å; F94-F294 AromaticContact CZ-CD2 3.11Å; F94-F294 HydrophobicContact CZ-CD2 3.11Å; F94-F294 AromaticContact CZ-CE2 3.25Å; F94-F294 HydrophobicContact CZ-CE2 3.25Å; F94-F294 AromaticContact CZ-CG 3.88Å; F94-F294 HydrophobicContact CZ-CG 3.88Å; F94-F294 HydrophobicContact CZ-CZ 4.08Å |
| 95 | F | 98.2 | Very high | 95.9 | Very high | 16 Ų | 16 | 23.7 Ų | 23.7 | 7% | 0.07 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.3 | 163.8 | 179.1 | 65.2 | -74.6 | 0 | 0 | 0 | 110.5 | C76 R78 L92 M97 E232 | C76-F95 HydrophobicContact CB-CD1 4.14Å; C76-F95 HydrophobicContact CB-CD2 4.35Å; C76-F95 HydrophobicContact CB-CE1 3.56Å; C76-F95 HydrophobicContact CB-CE2 3.88Å; C76-F95 HydrophobicContact CB-CG 4.47Å; C76-F95 HydrophobicContact CB-CZ 3.44Å; C76-F95 VanDerWaalsContact CB-CZ 3.44Å; C76-F95 PolarHBondContact N-O 3.1Å; C76-F95 PolarHBondContact O-N 3.25Å; C76-F95 VanDerWaalsContact O-N 3.16Å; R78-F95 HydrophobicContact CB-CD1 4.47Å; R78-F95 HydrophobicContact CB-CE1 3.82Å; L92-F95 HydrophobicContact CB-CB 4.4Å; L92-F95 HydrophobicContact CD1-CB 4.05Å; F95-M97 HydrophobicContact CE2-CB 4.16Å; F95-M97 HydrophobicContact CE2-CE 3.76Å; F95-M97 HydrophobicContact CZ-CE 4.07Å; F95-E232 WeakPolarHBondContact CA-OE1 3.41Å; F95-E232 WeakPolarHBondContact CB-OE2 3.32Å |
| 96 | E | 98.4 | Very high | 95.8 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 123 | 174.3 | -69.5 | 166.2 | 89.4 | 0 | 0 | 110 | R11 Q74 F94 L231 E232 R290 M343 Y347 | R11-E96 IonicContact CZ-OE1 3.71Å; R11-E96 VanDerWaalsContact CZ-OE1 3.29Å; R11-E96 IonicContact CZ-OE2 4Å; R11-E96 IonicContact NE-OE1 2.69Å; R11-E96 PolarHBondContact NE-OE1 3.31Å; R11-E96 IonicContact NE-OE2 3.66Å; R11-E96 IonicContact NH2-OE1 3.43Å; R11-E96 PolarHBondContact NH2-OE1 3.07Å; R11-E96 IonicContact NH2-OE2 3.63Å; R11-E96 PolarHBondContact NH2-OE2 3.45Å; Q74-E96 CarbonylContact O-C 3.39Å; Q74-E96 WeakPolarHBondContact O-CA 3.44Å; F94-E96 HydrophobicContact CE1-CG 4.45Å; F94-E96 HydrophobicContact CZ-CG 4.46Å; E96-L231 HydrophobicContact CB-CB 3.92Å; E96-L231 HydrophobicContact CB-CD2 3.71Å; E96-L231 HydrophobicContact CB-CG 4.46Å; E96-L231 HydrophobicContact CG-CD2 4.31Å; E96-L231 VanDerWaalsContact O-CB 3.25Å; E96-L231 WeakPolarHBondContact O-CB 3.47Å; E96-L231 PolarHBondContact O-N 3.14Å; E96-L231 WeakPolarHBondContact OE2-CD2 3.45Å; E96-E232 PolarHBondContact N-OE1 3.16Å; E96-E232 PolarHBondContact N-OE2 3.4Å; E96-R290 IonicContact OE2-NH2 2.84Å; E96-M343 WeakPolarHBondContact OE2-CE 3.2Å; E96-Y347 VanDerWaalsContact OE1-CE2 3.25Å; E96-Y347 WeakPolarHBondContact OE1-CE2 3.32Å; E96-Y347 VanDerWaalsContact OE1-CZ 3.32Å; E96-Y347 PolarHBondContact OE1-OH 2.98Å |
| 97 | M | 98.1 | Very high | 95.9 | Very high | 24 Ų | 24 | 29.5 Ų | 29.5 | 12% | 0.118 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 106.4 | 177.6 | -174.7 | -180 | -70.8 | 0 | 0 | 109.1 | A45 G46 Y73 Q74 F95 G99 | A45-M97 HydrophobicContact CB-CE 4.2Å; A45-M97 HydrophobicContact CB-SD 4.2Å; G46-M97 PolarHBondContact N-SD 2.63Å; G46-M97 VanDerWaalsContact N-SD 3.41Å; Y73-M97 CarbonylContact C-O 3.53Å; Y73-M97 WeakPolarHBondContact CA-O 3.37Å; Q74-M97 PolarHBondContact N-O 3.34Å; Q74-M97 PolarHBondContact O-N 3.36Å; F95-M97 HydrophobicContact CE2-CB 4.16Å; F95-M97 HydrophobicContact CE2-CE 3.76Å; F95-M97 HydrophobicContact CZ-CE 4.07Å; M97-G99 PolarHBondContact O-N 3.43Å |
| 98 | L | 98.8 | Very high | 96.1 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 116.8 | 167.4 | -65.6 | 166.6 | 0 | 0 | 0 | 107.7 | V10 F14 L229 L231 L234 | V10-L98 HydrophobicContact CG1-CD1 4.16Å; F14-L98 HydrophobicContact CB-CD1 4.45Å; F14-L98 HydrophobicContact CB-CD2 3.96Å; F14-L98 HydrophobicContact CD1-CB 4.01Å; F14-L98 HydrophobicContact CD1-CD2 3.71Å; F14-L98 HydrophobicContact CD1-CG 4.39Å; F14-L98 HydrophobicContact CD2-CB 3.93Å; F14-L98 HydrophobicContact CD2-CD1 4.12Å; F14-L98 HydrophobicContact CD2-CD2 4.37Å; F14-L98 HydrophobicContact CD2-CG 4.38Å; F14-L98 HydrophobicContact CE1-CB 3.81Å; F14-L98 HydrophobicContact CE1-CD2 4.3Å; F14-L98 HydrophobicContact CE2-CB 3.77Å; F14-L98 HydrophobicContact CG-CB 4.08Å; F14-L98 HydrophobicContact CG-CD1 4.25Å; F14-L98 HydrophobicContact CG-CD2 3.76Å; F14-L98 HydrophobicContact CG-CG 4.26Å; F14-L98 HydrophobicContact CZ-CB 3.72Å; L98-L229 HydrophobicContact CB-CB 3.94Å; L98-L229 HydrophobicContact CB-CD2 4.13Å; L98-L229 HydrophobicContact CB-CG 4.09Å; L98-L229 WeakPolarHBondContact CB-O 3.4Å; L98-L229 HydrophobicContact CD1-CD2 3.84Å; L98-L229 HydrophobicContact CD1-CG 3.98Å; L98-L229 PolarHBondContact N-O 3.49Å; L98-L229 WeakPolarHBondContact O-CB 3.37Å; L98-L229 PolarHBondContact O-N 3.18Å; L98-L231 HydrophobicContact CD1-CB 4.2Å; L98-L231 HydrophobicContact CD1-CD1 3.78Å; L98-L231 HydrophobicContact CD2-CD1 4.36Å; L98-L231 HydrophobicContact CG-CB 4.18Å; L98-L231 HydrophobicContact CG-CD1 4.23Å; L98-L234 HydrophobicContact CD1-CD2 4.16Å |
| 99 | G | 98.4 | Very high | 96.2 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 145.3 | -175.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | V71 N72 M97 W101 T227 | V71-G99 CarbonylContact C-O 3.57Å; V71-G99 WeakPolarHBondContact CA-O 3.46Å; V71-G99 WeakPolarHBondContact CG2-O 3.14Å; N72-G99 PolarHBondContact N-O 3.44Å; N72-G99 PolarHBondContact O-N 2.86Å; M97-G99 PolarHBondContact O-N 3.43Å; G99-W101 VanDerWaalsContact CA-CH2 3.48Å; G99-W101 VanDerWaalsContact O-CZ3 3.23Å; G99-W101 WeakPolarHBondContact O-CZ3 3.48Å; G99-T227 VanDerWaalsContact CA-O 3.26Å; G99-T227 WeakPolarHBondContact CA-O 3.45Å |
| 100 | N | 98.5 | Very high | 96.4 | Very high | 1 Ų | 1 | 27.5 Ų | 27.5 | 1% | 0.005 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 137.5 | 166.9 | 69.8 | -73.4 | 0 | 0 | 0 | 109 | F18 Y23 A70 V71 W201 T227 | F18-N100 HydrophobicContact CD1-CB 3.95Å; F18-N100 HydrophobicContact CD2-CB 4.16Å; F18-N100 HydrophobicContact CE1-CB 3.79Å; F18-N100 VanDerWaalsContact CE1-CG 3.46Å; F18-N100 WeakPolarHBondContact CE1-ND2 3.5Å; F18-N100 HydrophobicContact CE2-CB 4.02Å; F18-N100 HydrophobicContact CG-CB 4.13Å; F18-N100 HydrophobicContact CZ-CB 3.83Å; F18-N100 WeakPolarHBondContact CZ-OD1 3.37Å; Y23-N100 HydrophobicContact CD1-CB 4.12Å; Y23-N100 HydrophobicContact CE1-CB 3.81Å; Y23-N100 PolarHBondContact OH-ND2 3.45Å; A70-N100 CarbonylContact O-C 3.6Å; A70-N100 VanDerWaalsContact O-CA 3.23Å; A70-N100 WeakPolarHBondContact O-CA 3.43Å; V71-N100 HydrophobicContact CG2-CB 4.42Å; N100-W201 VanDerWaalsContact OD1-CZ2 3.32Å; N100-W201 WeakPolarHBondContact OD1-CZ2 3.41Å; N100-T227 PolarHBondContact N-OG1 2.98Å; N100-T227 WeakPolarHBondContact O-CG2 3.33Å; N100-T227 PolarHBondContact O-N 2.77Å; N100-T227 PolarHBondContact O-OG1 3.28Å; N100-T227 WeakPolarHBondContact OD1-CG2 3.24Å; N100-T227 PolarHBondContact OD1-OG1 2.9Å |
| 101 | W | 98.1 | Very high | 96.7 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 145.3 | -176 | -59.3 | -87.3 | 0 | 0 | 0 | 110.6 | Y23 F50 K69 A70 N72 G99 F103 I225 D226 | Y23-W101 WeakPolarHBondContact CE1-O 3.23Å; F50-W101 AromaticContact CD2-CD2 3.68Å; F50-W101 HydrophobicContact CD2-CD2 3.68Å; F50-W101 AromaticContact CD2-CE2 3.9Å; F50-W101 HydrophobicContact CD2-CE3 4.07Å; F50-W101 AromaticContact CD2-CG 3.92Å; F50-W101 HydrophobicContact CD2-CG 3.92Å; F50-W101 AromaticContact CE2-CD2 3.41Å; F50-W101 HydrophobicContact CE2-CD2 3.41Å; F50-W101 VanDerWaalsContact CE2-CD2 3.41Å; F50-W101 AromaticContact CE2-CE2 3.79Å; F50-W101 AromaticContact CE2-CE3 3.31Å; F50-W101 HydrophobicContact CE2-CE3 3.31Å; F50-W101 HydrophobicContact CE2-CG 4.08Å; F50-W101 HydrophobicContact CE2-CH2 4.05Å; F50-W101 HydrophobicContact CE2-CZ2 4.14Å; F50-W101 AromaticContact CE2-CZ3 3.63Å; F50-W101 HydrophobicContact CE2-CZ3 3.63Å; F50-W101 HydrophobicContact CZ-CD2 4.4Å; F50-W101 AromaticContact CZ-CE3 3.96Å; F50-W101 HydrophobicContact CZ-CE3 3.96Å; F50-W101 HydrophobicContact CZ-CZ3 4.24Å; K69-W101 CarbonylContact C-O 3.59Å; K69-W101 WeakPolarHBondContact CA-O 3.4Å; A70-W101 HydrophobicContact CB-CB 4.44Å; A70-W101 HydrophobicContact CB-CE3 3.92Å; A70-W101 PolarHBondContact N-O 3.04Å; A70-W101 PolarHBondContact O-N 3.5Å; N72-W101 HydrophobicContact CB-CZ3 4.32Å; N72-W101 WeakPolarHBondContact OD1-CH2 3.4Å; G99-W101 VanDerWaalsContact CA-CH2 3.48Å; G99-W101 VanDerWaalsContact O-CZ3 3.23Å; G99-W101 WeakPolarHBondContact O-CZ3 3.48Å; W101-F103 HydrophobicContact CB-CE1 3.7Å; W101-F103 HydrophobicContact CB-CE2 3.86Å; W101-F103 HydrophobicContact CB-CZ 3.29Å; W101-F103 HydrophobicContact CG-CE1 4.24Å; W101-F103 AromaticContact CG-CZ 3.89Å; W101-F103 HydrophobicContact CG-CZ 3.89Å; W101-I225 VanDerWaalsContact CA-O 3.25Å; W101-I225 WeakPolarHBondContact CA-O 3.48Å; W101-D226 PolarHBondContact NE1-OD1 2.93Å |
| 102 | S | 97.7 | Very high | 96.9 | Very high | 1 Ų | 1 | 25.7 Ų | 25.7 | 1% | 0.007 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 129.8 | 167.4 | 176.7 | 0 | 0 | 0 | 0 | 108.9 | T68 L107 H224 I225 | T68-S102 WeakPolarHBondContact O-CA 3.37Å; S102-L107 WeakPolarHBondContact OG-CB 3.32Å; S102-L107 WeakPolarHBondContact OG-CG 3.36Å; S102-L107 PolarHBondContact OG-N 3.32Å; S102-H224 WeakPolarHBondContact O-CA 3.43Å; S102-I225 PolarHBondContact N-O 2.91Å; S102-I225 PolarHBondContact O-N 3.21Å |
| 103 | F | 96.2 | Very high | 96.9 | Very high | 1 Ų | 1 | 25.3 Ų | 25.3 | 0% | 0.004 | 14% | 0.14 | C | C | . | . | trans | -111.6 | 155.9 | -173.2 | -51.6 | -67.7 | 0 | 0 | 0 | 111.6 | F50 I53 L54 L67 T68 A70 W101 G105 H106 H224 | F50-F103 HydrophobicContact CB-CE1 3.79Å; F50-F103 HydrophobicContact CB-CZ 3.66Å; F50-F103 HydrophobicContact CD1-CE2 4.35Å; F50-F103 AromaticContact CD1-CZ 3.83Å; F50-F103 HydrophobicContact CD1-CZ 3.83Å; F50-F103 AromaticContact CD2-CZ 3.96Å; F50-F103 HydrophobicContact CD2-CZ 3.96Å; F50-F103 HydrophobicContact CE1-CZ 4.49Å; F50-F103 HydrophobicContact CG-CE1 4.17Å; F50-F103 HydrophobicContact CG-CE2 4.47Å; F50-F103 AromaticContact CG-CZ 3.53Å; F50-F103 HydrophobicContact CG-CZ 3.53Å; I53-F103 HydrophobicContact CB-CD1 4.38Å; I53-F103 HydrophobicContact CD1-CD2 3.95Å; I53-F103 HydrophobicContact CD1-CE1 4.41Å; I53-F103 HydrophobicContact CD1-CE2 3.8Å; I53-F103 HydrophobicContact CD1-CG 4.33Å; I53-F103 HydrophobicContact CD1-CZ 4.04Å; I53-F103 HydrophobicContact CG2-CB 3.73Å; I53-F103 HydrophobicContact CG2-CD1 3.84Å; I53-F103 HydrophobicContact CG2-CD2 4.3Å; I53-F103 HydrophobicContact CG2-CG 3.69Å; L54-F103 HydrophobicContact CD2-CD1 3.93Å; L54-F103 HydrophobicContact CD2-CE1 4.13Å; L67-F103 HydrophobicContact CD2-CE2 4.07Å; L67-F103 HydrophobicContact CG-CD2 4.48Å; L67-F103 HydrophobicContact CG-CE2 4.12Å; L67-F103 WeakPolarHBondContact O-CD2 3.44Å; T68-F103 PolarHBondContact O-N 3.24Å; A70-F103 HydrophobicContact CB-CE2 4.19Å; W101-F103 HydrophobicContact CB-CE1 3.7Å; W101-F103 HydrophobicContact CB-CE2 3.86Å; W101-F103 HydrophobicContact CB-CZ 3.29Å; W101-F103 HydrophobicContact CG-CE1 4.24Å; W101-F103 AromaticContact CG-CZ 3.89Å; W101-F103 HydrophobicContact CG-CZ 3.89Å; F103-G105 VanDerWaalsContact C-N 3.32Å; F103-G105 PolarHBondContact O-N 3.11Å; F103-H106 VanDerWaalsContact O-CB 3.25Å; F103-H106 WeakPolarHBondContact O-CB 3.23Å; F103-H106 PolarHBondContact O-N 3.14Å; F103-H224 AromaticContact CD1-ND1 3.88Å | ||
| 104 | N | 93.3 | Very high | 97 | Very high | 93 Ų | 93 | 29.3 Ų | 29.3 | 50% | 0.497 | 16% | 0.159 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.2 | 41 | 170.2 | -55.4 | -32.9 | 0 | 0 | 0 | 113.9 | H106 H224 | N104-H106 PolarHBondContact O-N 3.36Å; N104-H224 PolarHBondContact N-ND1 2.93Å; N104-H224 PolarHBondContact OD1-CE1 3.17Å |
| 105 | G | 91.7 | Very high | 97.1 | Very high | 47 Ų | 47 | 30.4 Ų | 30.4 | 49% | 0.485 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 66.7 | 16.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | F103 L107 S223 | F103-G105 VanDerWaalsContact C-N 3.32Å; F103-G105 PolarHBondContact O-N 3.11Å; G105-L107 VanDerWaalsContact C-N 3.26Å; G105-L107 PolarHBondContact O-N 3.11Å; G105-S223 WeakPolarHBondContact CA-O 3.46Å; G105-S223 PolarHBondContact N-O 3.28Å |
| 106 | H | 92.9 | Very high | 97.1 | Very high | 95 Ų | 95 | 29.7 Ų | 29.7 | 44% | 0.44 | 16% | 0.161 | S | C | . | . | trans | -65.4 | -25.4 | -174.3 | -174.4 | 77.6 | 0 | 0 | 0 | 114.2 | F103 N104 | F103-H106 VanDerWaalsContact O-CB 3.25Å; F103-H106 WeakPolarHBondContact O-CB 3.23Å; F103-H106 PolarHBondContact O-N 3.14Å; N104-H106 PolarHBondContact O-N 3.36Å | ||
| 107 | L | 96.3 | Very high | 97.1 | Very high | 27 Ų | 27 | 30.5 Ų | 30.5 | 14% | 0.141 | 16% | 0.164 | C | C | . | . | S | Bend | trans | -127.7 | 149.5 | 175.1 | -66.1 | -176 | 0 | 0 | 0 | 110.5 | Y23 K69 S102 G105 I111 V112 I225 | Y23-L107 HydrophobicContact CE2-CD1 4.3Å; Y23-L107 WeakPolarHBondContact OH-CD1 3.17Å; K69-L107 HydrophobicContact CD-CD1 3.79Å; K69-L107 HydrophobicContact CD-CD2 4.36Å; K69-L107 HydrophobicContact CD-CG 4.08Å; K69-L107 HydrophobicContact CG-CD1 4.44Å; S102-L107 WeakPolarHBondContact OG-CB 3.32Å; S102-L107 WeakPolarHBondContact OG-CG 3.36Å; S102-L107 PolarHBondContact OG-N 3.32Å; G105-L107 VanDerWaalsContact C-N 3.26Å; G105-L107 PolarHBondContact O-N 3.11Å; L107-I111 HydrophobicContact CD1-CG2 4.46Å; L107-I111 HydrophobicContact CD2-CD1 4.38Å; L107-I111 HydrophobicContact CD2-CG2 4.08Å; L107-V112 HydrophobicContact CB-CG2 4.08Å; L107-V112 HydrophobicContact CD1-CG2 3.85Å; L107-I225 HydrophobicContact CB-CD1 4.22Å |
| 108 | S | 95.8 | Very high | 97.1 | Very high | 54 Ų | 54 | 30.6 Ų | 30.6 | 38% | 0.378 | 17% | 0.167 | S | C | . | . | trans | -86.3 | 160.5 | 171.6 | 65.3 | 0 | 0 | 0 | 0 | 111.8 | K110 I111 V112 | S108-K110 PolarHBondContact O-N 3.41Å; S108-I111 PolarHBondContact O-N 3.36Å; S108-I111 WeakPolarHBondContact OG-CG1 3.28Å; S108-I111 PolarHBondContact OG-N 3.29Å; S108-V112 PolarHBondContact O-N 2.72Å | ||
| 109 | K | 96.2 | Very high | 97.1 | Very high | 24 Ų | 24 | 30.6 Ų | 30.6 | 10% | 0.104 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -53.4 | -45 | 173.2 | -55.6 | -167.3 | -176.4 | 170.7 | 0 | 111.6 | I111 V112 C113 D147 E149 T150 F205 | K109-I111 PolarHBondContact O-N 2.88Å; K109-V112 PolarHBondContact O-N 3.22Å; K109-C113 PolarHBondContact O-N 2.91Å; K109-C113 PolarHBondContact O-SG 2.81Å; K109-C113 VanDerWaalsContact O-SG 3.33Å; K109-D147 IonicContact NZ-OD1 2.82Å; K109-D147 PolarHBondContact NZ-OD1 3.23Å; K109-D147 IonicContact NZ-OD2 2.95Å; K109-D147 PolarHBondContact NZ-OD2 2.88Å; K109-E149 WeakPolarHBondContact CD-OE2 3.43Å; K109-E149 WeakPolarHBondContact CE-OE2 3.17Å; K109-E149 IonicContact NZ-OE2 3.23Å; K109-E149 PolarHBondContact NZ-OE2 2.99Å; K109-T150 WeakPolarHBondContact CD-OG1 3.39Å; K109-F205 HydrophobicContact CB-CD1 4.29Å; K109-F205 HydrophobicContact CB-CE1 3.71Å; K109-F205 HydrophobicContact CB-CZ 3.88Å; K109-F205 HydrophobicContact CD-CD1 3.96Å; K109-F205 HydrophobicContact CD-CD2 3.8Å; K109-F205 HydrophobicContact CD-CE1 4Å; K109-F205 HydrophobicContact CD-CE2 3.84Å; K109-F205 HydrophobicContact CD-CG 3.85Å; K109-F205 HydrophobicContact CD-CZ 3.93Å; K109-F205 HydrophobicContact CG-CD1 3.62Å; K109-F205 HydrophobicContact CG-CD2 4.38Å; K109-F205 HydrophobicContact CG-CE1 3.57Å; K109-F205 HydrophobicContact CG-CE2 4.34Å; K109-F205 HydrophobicContact CG-CG 4.04Å; K109-F205 HydrophobicContact CG-CZ 3.94Å |
| 110 | K | 97.9 | Very high | 97.1 | Very high | 81 Ų | 81 | 30.6 Ų | 30.6 | 35% | 0.352 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -51.1 | -51.3 | 177.4 | -179.4 | 167.4 | 177.3 | 159.2 | 0 | 112.7 | S108 Q114 V153 E156 | S108-K110 PolarHBondContact O-N 3.41Å; K110-Q114 WeakPolarHBondContact O-CB 3.24Å; K110-Q114 VanDerWaalsContact O-CG 3.23Å; K110-Q114 WeakPolarHBondContact O-CG 3.19Å; K110-Q114 PolarHBondContact O-N 3.5Å; K110-V153 HydrophobicContact CB-CG1 4.41Å; K110-V153 HydrophobicContact CB-CG2 3.85Å; K110-V153 HydrophobicContact CG-CG2 4.35Å; K110-E156 WeakPolarHBondContact CE-OE2 3.23Å; K110-E156 IonicContact NZ-OE2 2.64Å; K110-E156 PolarHBondContact NZ-OE2 3.44Å |
| 111 | I | 98 | Very high | 97.1 | Very high | 66 Ų | 66 | 31.2 Ų | 31.2 | 34% | 0.338 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -64.7 | -43.9 | -176.9 | -67.9 | 169.6 | 0 | 0 | 0 | 110.6 | L107 S108 K109 Q114 Q115 | L107-I111 HydrophobicContact CD1-CG2 4.46Å; L107-I111 HydrophobicContact CD2-CD1 4.38Å; L107-I111 HydrophobicContact CD2-CG2 4.08Å; S108-I111 PolarHBondContact O-N 3.36Å; S108-I111 WeakPolarHBondContact OG-CG1 3.28Å; S108-I111 PolarHBondContact OG-N 3.29Å; K109-I111 PolarHBondContact O-N 2.88Å; I111-Q114 PolarHBondContact O-N 3.36Å; I111-Q115 HydrophobicContact CG2-CG 4.34Å; I111-Q115 VanDerWaalsContact O-CG 3.24Å; I111-Q115 WeakPolarHBondContact O-CG 3.21Å; I111-Q115 PolarHBondContact O-N 2.92Å |
| 112 | V | 98.1 | Very high | 97.1 | Very high | 1 Ų | 1 | 36.9 Ų | 36.9 | 1% | 0.006 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -69.4 | -39.9 | -177.9 | 178.4 | 0 | 0 | 0 | 0 | 112 | L107 S108 K109 Q114 Q115 A116 I203 I225 T227 | L107-V112 HydrophobicContact CB-CG2 4.08Å; L107-V112 HydrophobicContact CD1-CG2 3.85Å; S108-V112 PolarHBondContact O-N 2.72Å; K109-V112 PolarHBondContact O-N 3.22Å; V112-Q114 VanDerWaalsContact C-N 3.33Å; V112-Q114 PolarHBondContact O-N 3.09Å; V112-Q115 PolarHBondContact O-N 3.25Å; V112-A116 WeakPolarHBondContact O-CB 3.48Å; V112-A116 PolarHBondContact O-N 3.11Å; V112-I203 HydrophobicContact CG1-CG2 4.02Å; V112-I225 HydrophobicContact CB-CD1 4.16Å; V112-I225 HydrophobicContact CB-CG2 4.36Å; V112-I225 HydrophobicContact CG1-CG2 3.97Å; V112-I225 HydrophobicContact CG2-CD1 3.44Å; V112-I225 VanDerWaalsContact CG2-CD1 3.44Å; V112-I225 HydrophobicContact CG2-CG2 4.15Å; V112-T227 HydrophobicContact CG1-CG2 4.21Å |
| 113 | C | 98.6 | Very high | 97.1 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -61.7 | -41.1 | 173.9 | -65.6 | 0 | 0 | 0 | 0 | 111.8 | K109 A116 W117 V153 W154 I157 | K109-C113 PolarHBondContact O-N 2.91Å; K109-C113 PolarHBondContact O-SG 2.81Å; K109-C113 VanDerWaalsContact O-SG 3.33Å; C113-A116 PolarHBondContact O-N 3.36Å; C113-W117 WeakPolarHBondContact O-CB 3.49Å; C113-W117 PolarHBondContact O-N 3.25Å; C113-V153 HydrophobicContact CB-CG1 3.6Å; C113-W154 HydrophobicContact CB-CE3 4.49Å; C113-W154 HydrophobicContact CB-CH2 3.76Å; C113-W154 HydrophobicContact CB-CZ2 3.84Å; C113-W154 HydrophobicContact CB-CZ3 4.11Å; C113-I157 HydrophobicContact CB-CD1 3.8Å |
| 114 | Q | 98.5 | Very high | 97.2 | Very high | 84 Ų | 84 | 39.5 Ų | 39.5 | 39% | 0.393 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -62.9 | -43 | 175.1 | -74.7 | 173.7 | -21.6 | 0 | 0 | 112.3 | K110 I111 V112 W117 S118 I157 | K110-Q114 WeakPolarHBondContact O-CB 3.24Å; K110-Q114 VanDerWaalsContact O-CG 3.23Å; K110-Q114 WeakPolarHBondContact O-CG 3.19Å; K110-Q114 PolarHBondContact O-N 3.5Å; I111-Q114 PolarHBondContact O-N 3.36Å; V112-Q114 VanDerWaalsContact C-N 3.33Å; V112-Q114 PolarHBondContact O-N 3.09Å; Q114-W117 PolarHBondContact O-N 3.14Å; Q114-S118 WeakPolarHBondContact O-CB 3.47Å; Q114-S118 PolarHBondContact O-N 3.31Å; Q114-I157 HydrophobicContact CG-CD1 4.01Å; Q114-I157 HydrophobicContact CG-CG1 3.9Å |
| 115 | Q | 98.6 | Very high | 97.4 | Very high | 23 Ų | 23 | 42 Ų | 42 | 11% | 0.107 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -62.2 | -46.7 | 176.5 | -72.1 | 172 | -4.1 | 0 | 0 | 111.5 | F17 F18 L21 Y23 I111 V112 W117 S118 L119 | F17-Q115 HydrophobicContact CE1-CB 4.33Å; F17-Q115 WeakPolarHBondContact CZ-O 3.45Å; F18-Q115 HydrophobicContact CE1-CB 4.28Å; L21-Q115 HydrophobicContact CD1-CB 4.32Å; L21-Q115 HydrophobicContact CD1-CG 3.72Å; Y23-Q115 PolarHBondContact OH-OE1 2.85Å; I111-Q115 HydrophobicContact CG2-CG 4.34Å; I111-Q115 VanDerWaalsContact O-CG 3.24Å; I111-Q115 WeakPolarHBondContact O-CG 3.21Å; I111-Q115 PolarHBondContact O-N 2.92Å; V112-Q115 PolarHBondContact O-N 3.25Å; Q115-W117 VanDerWaalsContact C-N 3.34Å; Q115-W117 PolarHBondContact O-N 2.94Å; Q115-S118 PolarHBondContact O-N 2.54Å; Q115-L119 WeakPolarHBondContact O-CB 3.49Å; Q115-L119 PolarHBondContact O-N 2.9Å |
| 116 | A | 98.7 | Very high | 97.7 | Very high | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.008 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -60.8 | -44.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | V112 C113 L119 L120 I188 W201 I203 | V112-A116 WeakPolarHBondContact O-CB 3.48Å; V112-A116 PolarHBondContact O-N 3.11Å; C113-A116 PolarHBondContact O-N 3.36Å; A116-L119 PolarHBondContact O-N 3.24Å; A116-L120 WeakPolarHBondContact O-CG 3.17Å; A116-L120 PolarHBondContact O-N 3.1Å; A116-L120 VanDerWaalsContact O-N 3.1Å; A116-I188 HydrophobicContact CB-CD1 3.97Å; A116-W201 VanDerWaalsContact CA-CZ3 3.45Å; A116-W201 HydrophobicContact CB-CD2 4.26Å; A116-W201 HydrophobicContact CB-CE3 3.78Å; A116-W201 HydrophobicContact CB-CH2 3.86Å; A116-W201 HydrophobicContact CB-CZ2 4.34Å; A116-W201 HydrophobicContact CB-CZ3 3.57Å; A116-I203 HydrophobicContact CB-CD1 3.77Å |
| 117 | W | 98.6 | Very high | 97.9 | Very high | 18 Ų | 18 | 38.2 Ų | 38.2 | 7% | 0.068 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -65.5 | -45.4 | 178.8 | -167.1 | -106.4 | 0 | 0 | 0 | 113.2 | C113 Q114 Q115 L120 T121 K128 L131 W154 I157 L159 | C113-W117 WeakPolarHBondContact O-CB 3.49Å; C113-W117 PolarHBondContact O-N 3.25Å; Q114-W117 PolarHBondContact O-N 3.14Å; Q115-W117 VanDerWaalsContact C-N 3.34Å; Q115-W117 PolarHBondContact O-N 2.94Å; W117-L120 PolarHBondContact O-N 3.1Å; W117-T121 HydrophobicContact CD2-CG2 4Å; W117-T121 HydrophobicContact CE3-CG2 4.46Å; W117-T121 HydrophobicContact CG-CG2 4.4Å; W117-T121 HydrophobicContact CH2-CG2 4.49Å; W117-T121 HydrophobicContact CZ2-CG2 4.04Å; W117-T121 WeakPolarHBondContact O-CB 3.38Å; W117-T121 WeakPolarHBondContact O-CG2 3.47Å; W117-T121 PolarHBondContact O-N 2.89Å; W117-T121 PolarHBondContact O-OG1 3.13Å; W117-K128 HydrophobicContact CZ2-CB 4.27Å; W117-K128 HydrophobicContact CZ2-CD 4.44Å; W117-K128 HydrophobicContact CZ2-CG 4.17Å; W117-L131 HydrophobicContact CE3-CD1 4.35Å; W117-L131 HydrophobicContact CH2-CB 3.77Å; W117-L131 HydrophobicContact CH2-CD1 4.01Å; W117-L131 HydrophobicContact CZ3-CB 3.77Å; W117-L131 HydrophobicContact CZ3-CD1 3.81Å; W117-L131 HydrophobicContact CZ3-CG 4.45Å; W117-W154 HydrophobicContact CB-CZ3 4.18Å; W117-W154 HydrophobicContact CD2-CZ3 4.34Å; W117-W154 AromaticContact CE3-CZ3 3.86Å; W117-W154 HydrophobicContact CE3-CZ3 3.86Å; W117-I157 HydrophobicContact CB-CG2 4.12Å; W117-I157 HydrophobicContact CD2-CG2 3.91Å; W117-I157 HydrophobicContact CG-CG2 3.52Å; W117-L159 HydrophobicContact CD2-CD1 4.13Å; W117-L159 HydrophobicContact CE3-CD1 4.11Å; W117-L159 HydrophobicContact CH2-CD1 3.66Å; W117-L159 HydrophobicContact CH2-CD2 3.81Å; W117-L159 HydrophobicContact CH2-CG 3.68Å; W117-L159 HydrophobicContact CZ2-CD1 3.66Å; W117-L159 HydrophobicContact CZ2-CG 4.02Å; W117-L159 HydrophobicContact CZ3-CD1 3.89Å; W117-L159 HydrophobicContact CZ3-CD2 3.84Å; W117-L159 HydrophobicContact CZ3-CG 4.12Å |
| 118 | S | 98.5 | Very high | 97.9 | Very high | 26 Ų | 26 | 42.5 Ų | 42.5 | 18% | 0.182 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -62.2 | -43.8 | 176.9 | 170.9 | 0 | 0 | 0 | 0 | 111 | Q114 Q115 L120 T121 E122 V123 | Q114-S118 WeakPolarHBondContact O-CB 3.47Å; Q114-S118 PolarHBondContact O-N 3.31Å; Q115-S118 PolarHBondContact O-N 2.54Å; S118-L120 PolarHBondContact O-N 3.18Å; S118-T121 PolarHBondContact O-N 3.18Å; S118-E122 WeakPolarHBondContact CB-OE2 2.9Å; S118-E122 WeakPolarHBondContact O-CA 3.41Å; S118-E122 VanDerWaalsContact O-CB 3.25Å; S118-E122 WeakPolarHBondContact O-CB 3.26Å; S118-E122 PolarHBondContact O-N 2.96Å; S118-E122 PolarHBondContact OG-OE2 3.33Å; S118-V123 PolarHBondContact O-N 3.41Å |
| 119 | L | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 23% | 0.225 | C | C | . | . | I | π-helix | trans | -59 | -48.3 | 176.6 | -179.4 | 60 | 0 | 0 | 0 | 111.9 | F14 F17 F18 Q115 A116 V123 F124 W201 | F14-L119 HydrophobicContact CD2-CD2 3.56Å; F14-L119 HydrophobicContact CE2-CD2 3.93Å; F17-L119 HydrophobicContact CB-CD1 3.9Å; F17-L119 HydrophobicContact CD1-CB 4.09Å; F17-L119 HydrophobicContact CD1-CD1 3.98Å; F17-L119 HydrophobicContact CD1-CD2 4.08Å; F17-L119 HydrophobicContact CD1-CG 4.27Å; F17-L119 HydrophobicContact CD2-CD1 4.03Å; F17-L119 HydrophobicContact CE1-CB 3.8Å; F17-L119 HydrophobicContact CE1-CD2 4.45Å; F17-L119 HydrophobicContact CE1-CG 4.47Å; F17-L119 HydrophobicContact CE2-CB 4.32Å; F17-L119 HydrophobicContact CG-CB 4.48Å; F17-L119 HydrophobicContact CG-CD1 3.71Å; F17-L119 HydrophobicContact CG-CG 4.48Å; F17-L119 HydrophobicContact CZ-CB 3.91Å; F18-L119 HydrophobicContact CE2-CD2 3.89Å; Q115-L119 WeakPolarHBondContact O-CB 3.49Å; Q115-L119 PolarHBondContact O-N 2.9Å; A116-L119 PolarHBondContact O-N 3.24Å; L119-V123 HydrophobicContact CD1-CB 3.97Å; L119-V123 HydrophobicContact CD1-CG1 4.09Å; L119-V123 HydrophobicContact CD1-CG2 4.26Å; L119-V123 WeakPolarHBondContact O-CB 3.5Å; L119-F124 HydrophobicContact CD1-CD2 3.94Å; L119-F124 HydrophobicContact CD1-CE2 3.62Å; L119-F124 HydrophobicContact CD1-CZ 4.27Å; L119-F124 HydrophobicContact CD2-CE2 4Å; L119-F124 HydrophobicContact CG-CD2 3.8Å; L119-F124 HydrophobicContact CG-CE2 3.61Å; L119-F124 WeakPolarHBondContact O-CB 3.33Å; L119-F124 WeakPolarHBondContact O-CD2 3.34Å; L119-F124 PolarHBondContact O-N 3.43Å; L119-W201 HydrophobicContact CB-CZ3 4.43Å; L119-W201 HydrophobicContact CD2-CH2 3.71Å; L119-W201 HydrophobicContact CD2-CZ3 3.94Å |
| 120 | L | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 24% | 0.235 | C | C | . | . | I | π-helix | trans | -68.8 | -42.5 | -178.8 | -67.4 | 178.3 | 0 | 0 | 0 | 112.6 | A116 W117 S118 F124 Q125 I126 L131 I188 W201 L234 | A116-L120 WeakPolarHBondContact O-CG 3.17Å; A116-L120 PolarHBondContact O-N 3.1Å; A116-L120 VanDerWaalsContact O-N 3.1Å; W117-L120 PolarHBondContact O-N 3.1Å; S118-L120 PolarHBondContact O-N 3.18Å; L120-F124 HydrophobicContact CD2-CD2 4.35Å; L120-F124 CarbonylContact O-C 3.59Å; L120-F124 WeakPolarHBondContact O-CB 3.5Å; L120-Q125 PolarHBondContact O-N 3.32Å; L120-I126 HydrophobicContact CB-CD1 4.38Å; L120-I126 HydrophobicContact CD2-CD1 3.9Å; L120-I126 WeakPolarHBondContact O-CB 3.47Å; L120-I126 WeakPolarHBondContact O-CG1 3.23Å; L120-I126 PolarHBondContact O-N 3.21Å; L120-L131 HydrophobicContact CB-CD1 4.22Å; L120-I188 HydrophobicContact CD1-CB 4.38Å; L120-I188 HydrophobicContact CD1-CD1 3.84Å; L120-I188 HydrophobicContact CD1-CG2 3.76Å; L120-W201 HydrophobicContact CD1-CE3 4.09Å; L120-W201 HydrophobicContact CD2-CE3 4.33Å; L120-W201 HydrophobicContact CG-CE3 4.13Å; L120-W201 HydrophobicContact CG-CZ3 4.22Å; L120-L234 HydrophobicContact CD2-CD1 4.3Å |
| 121 | T | 98.1 | Very high | 97.9 | Very high | 14 Ų | 14 | 45.1 Ų | 45.1 | 9% | 0.086 | 22% | 0.219 | C | C | . | . | I | π-helix | trans | -96.6 | -29.9 | -168 | 64.5 | 0 | 0 | 0 | 0 | 114.3 | W117 S118 Q125 K128 L131 | W117-T121 HydrophobicContact CD2-CG2 4Å; W117-T121 HydrophobicContact CE3-CG2 4.46Å; W117-T121 HydrophobicContact CG-CG2 4.4Å; W117-T121 HydrophobicContact CH2-CG2 4.49Å; W117-T121 HydrophobicContact CZ2-CG2 4.04Å; W117-T121 WeakPolarHBondContact O-CB 3.38Å; W117-T121 WeakPolarHBondContact O-CG2 3.47Å; W117-T121 PolarHBondContact O-N 2.89Å; W117-T121 PolarHBondContact O-OG1 3.13Å; S118-T121 PolarHBondContact O-N 3.18Å; T121-Q125 WeakPolarHBondContact O-CA 3.49Å; T121-K128 HydrophobicContact CG2-CG 3.75Å; T121-L131 HydrophobicContact CG2-CD1 3.53Å |
| 122 | E | 98 | Very high | 97.9 | Very high | 119 Ų | 119 | 44.4 Ų | 44.4 | 56% | 0.556 | 22% | 0.215 | S | C | * | . | I | π-helix | trans | -101 | -45.2 | -176.3 | -57.6 | 173.7 | 173.8 | 0 | 0 | 111.2 | S118 Q125 | S118-E122 WeakPolarHBondContact CB-OE2 2.9Å; S118-E122 WeakPolarHBondContact O-CA 3.41Å; S118-E122 VanDerWaalsContact O-CB 3.25Å; S118-E122 WeakPolarHBondContact O-CB 3.26Å; S118-E122 PolarHBondContact O-N 2.96Å; S118-E122 PolarHBondContact OG-OE2 3.33Å; E122-Q125 WeakPolarHBondContact O-CG 3.46Å |
| 123 | V | 98 | Very high | 97.9 | Very high | 52 Ų | 52 | 44.5 Ų | 44.5 | 32% | 0.315 | 22% | 0.215 | S | C | . | . | I | π-helix | trans | -84.1 | -54.7 | -177.9 | -177.6 | 0 | 0 | 0 | 0 | 111.3 | T13 F17 S118 L119 Q125 | T13-V123 HydrophobicContact CG2-CG1 3.45Å; T13-V123 VanDerWaalsContact CG2-CG1 3.45Å; F17-V123 HydrophobicContact CD2-CG2 3.88Å; F17-V123 HydrophobicContact CE2-CG2 4.03Å; S118-V123 PolarHBondContact O-N 3.41Å; L119-V123 HydrophobicContact CD1-CB 3.97Å; L119-V123 HydrophobicContact CD1-CG1 4.09Å; L119-V123 HydrophobicContact CD1-CG2 4.26Å; L119-V123 WeakPolarHBondContact O-CB 3.5Å; V123-Q125 VanDerWaalsContact C-N 3.27Å |
| 124 | F | 98.3 | Very high | 97.9 | Very high | 4 Ų | 4 | 44.5 Ų | 44.5 | 2% | 0.018 | 22% | 0.215 | C | C | . | . | S | Bend | trans | -79.4 | -12.1 | 177.2 | -73.9 | -50.3 | 0 | 0 | 0 | 113.2 | W5 V10 T13 L119 L120 I126 L234 L238 | W5-F124 HydrophobicContact CD2-CD1 4.31Å; W5-F124 HydrophobicContact CE3-CD1 4.04Å; W5-F124 AromaticContact CE3-CE1 3.96Å; W5-F124 HydrophobicContact CE3-CE1 3.96Å; W5-F124 AromaticContact CH2-CD1 3.49Å; W5-F124 HydrophobicContact CH2-CD1 3.49Å; W5-F124 VanDerWaalsContact CH2-CD1 3.49Å; W5-F124 AromaticContact CH2-CE1 3.78Å; W5-F124 HydrophobicContact CH2-CE1 3.78Å; W5-F124 AromaticContact CZ2-CD1 3.76Å; W5-F124 HydrophobicContact CZ2-CD1 3.76Å; W5-F124 HydrophobicContact CZ2-CE1 4.46Å; W5-F124 AromaticContact CZ3-CD1 3.63Å; W5-F124 HydrophobicContact CZ3-CD1 3.63Å; W5-F124 AromaticContact CZ3-CE1 3.48Å; W5-F124 HydrophobicContact CZ3-CE1 3.48Å; W5-F124 VanDerWaalsContact CZ3-CE1 3.48Å; V10-F124 HydrophobicContact CG1-CE1 4.16Å; V10-F124 HydrophobicContact CG1-CZ 3.97Å; V10-F124 HydrophobicContact CG2-CE1 4.45Å; T13-F124 HydrophobicContact CG2-CE1 3.93Å; T13-F124 HydrophobicContact CG2-CZ 4.13Å; L119-F124 HydrophobicContact CD1-CD2 3.94Å; L119-F124 HydrophobicContact CD1-CE2 3.62Å; L119-F124 HydrophobicContact CD1-CZ 4.27Å; L119-F124 HydrophobicContact CD2-CE2 4Å; L119-F124 HydrophobicContact CG-CD2 3.8Å; L119-F124 HydrophobicContact CG-CE2 3.61Å; L119-F124 WeakPolarHBondContact O-CB 3.33Å; L119-F124 WeakPolarHBondContact O-CD2 3.34Å; L119-F124 PolarHBondContact O-N 3.43Å; L120-F124 HydrophobicContact CD2-CD2 4.35Å; L120-F124 CarbonylContact O-C 3.59Å; L120-F124 WeakPolarHBondContact O-CB 3.5Å; F124-I126 HydrophobicContact CB-CD1 4.45Å; F124-I126 HydrophobicContact CB-CG1 4.15Å; F124-I126 PolarHBondContact O-N 3.34Å; F124-L234 HydrophobicContact CD2-CD2 4.19Å; F124-L234 HydrophobicContact CE2-CD2 3.72Å; F124-L234 HydrophobicContact CZ-CD2 3.94Å; F124-L238 HydrophobicContact CB-CD2 3.92Å; F124-L238 HydrophobicContact CD1-CD1 3.54Å; F124-L238 HydrophobicContact CD1-CD2 4.25Å; F124-L238 HydrophobicContact CE1-CD1 3.86Å; F124-L238 HydrophobicContact CG-CD1 4.14Å; F124-L238 HydrophobicContact CG-CD2 4.32Å |
| 125 | Q | 97.3 | Very high | 97.9 | Very high | 146 Ų | 146 | 41 Ų | 41 | 68% | 0.682 | 20% | 0.199 | S | C | * | . | trans | 56.4 | 34.7 | 175.8 | -55.9 | -172.2 | -48.1 | 0 | 0 | 113.4 | L120 T121 E122 V123 | L120-Q125 PolarHBondContact O-N 3.32Å; T121-Q125 WeakPolarHBondContact O-CA 3.49Å; E122-Q125 WeakPolarHBondContact O-CG 3.46Å; V123-Q125 VanDerWaalsContact C-N 3.27Å | ||
| 126 | I | 97.6 | Very high | 97.9 | Very high | 6 Ų | 6 | 40 Ų | 40 | 3% | 0.031 | 19% | 0.194 | C | C | . | . | trans | -70.7 | 129 | 173 | -56.4 | 178.4 | 0 | 0 | 0 | 108.1 | L120 F124 K128 L131 F190 L200 L234 V237 L238 | L120-I126 HydrophobicContact CB-CD1 4.38Å; L120-I126 HydrophobicContact CD2-CD1 3.9Å; L120-I126 WeakPolarHBondContact O-CB 3.47Å; L120-I126 WeakPolarHBondContact O-CG1 3.23Å; L120-I126 PolarHBondContact O-N 3.21Å; F124-I126 HydrophobicContact CB-CD1 4.45Å; F124-I126 HydrophobicContact CB-CG1 4.15Å; F124-I126 PolarHBondContact O-N 3.34Å; I126-K128 PolarHBondContact O-N 2.99Å; I126-L131 HydrophobicContact CG2-CD1 4.34Å; I126-L131 HydrophobicContact CG2-CD2 3.94Å; I126-L131 HydrophobicContact CG2-CG 4.11Å; I126-F190 HydrophobicContact CG2-CD2 3.9Å; I126-F190 HydrophobicContact CG2-CE2 3.96Å; I126-L200 HydrophobicContact CD1-CD1 4.29Å; I126-L234 HydrophobicContact CD1-CD1 3.82Å; I126-V237 HydrophobicContact CD1-CG1 4.12Å; I126-V237 HydrophobicContact CG1-CG1 4.38Å; I126-V237 HydrophobicContact CG2-CG1 4.46Å; I126-L238 HydrophobicContact CD1-CD2 4.39Å; I126-L238 HydrophobicContact CG1-CD2 4.06Å | ||
| 127 | P | 96.4 | Very high | 97.8 | Very high | 57 Ų | 57 | 41.4 Ų | 41.4 | 37% | 0.37 | 21% | 0.208 | S | C | . | . | trans | -60.9 | 127.8 | -178.6 | -20.8 | 30.7 | 0 | 0 | 0 | 112.1 | E129 R130 | P127-E129 VanDerWaalsContact CB-CD 3.43Å; P127-E129 WeakPolarHBondContact CB-OE1 3.14Å; P127-E129 WeakPolarHBondContact CB-OE2 3.45Å; P127-E129 PolarHBondContact O-N 3.25Å; P127-R130 HydrophobicContact CB-CG 4.29Å; P127-R130 WeakPolarHBondContact O-CB 3.33Å; P127-R130 PolarHBondContact O-N 3.35Å | ||
| 128 | K | 97.2 | Very high | 97.6 | Very high | 116 Ų | 116 | 41.4 Ų | 41.4 | 50% | 0.504 | 21% | 0.214 | S | C | . | . | G | 310 helix | trans | -58.3 | -36.1 | -173.3 | -66.3 | -176.1 | 177.4 | -178.3 | 0 | 112.2 | W117 T121 I126 R130 L131 | W117-K128 HydrophobicContact CZ2-CB 4.27Å; W117-K128 HydrophobicContact CZ2-CD 4.44Å; W117-K128 HydrophobicContact CZ2-CG 4.17Å; T121-K128 HydrophobicContact CG2-CG 3.75Å; I126-K128 PolarHBondContact O-N 2.99Å; K128-R130 PolarHBondContact O-N 2.99Å; K128-L131 PolarHBondContact O-N 3.43Å |
| 129 | E | 95.7 | Very high | 97.2 | Very high | 130 Ų | 130 | 41.8 Ų | 41.8 | 61% | 0.607 | 21% | 0.214 | S | C | * | . | G | 310 helix | trans | -69.3 | -11.9 | 178.9 | 72.3 | -77.8 | -176.6 | 0 | 0 | 114.3 | P127 R191 | P127-E129 VanDerWaalsContact CB-CD 3.43Å; P127-E129 WeakPolarHBondContact CB-OE1 3.14Å; P127-E129 WeakPolarHBondContact CB-OE2 3.45Å; P127-E129 PolarHBondContact O-N 3.25Å; E129-R191 PolarHBondContact O-NH2 3.41Å |
| 130 | R | 96.7 | Very high | 96.6 | Very high | 80 Ų | 80 | 51.1 Ų | 51.1 | 30% | 0.302 | 26% | 0.258 | S | S | . | . | G | 310 helix | trans | -95.6 | -5.3 | 172.7 | -60.7 | -167.5 | 71.7 | 170 | 5.3 | 112.7 | P127 K128 F190 R191 A192 | P127-R130 HydrophobicContact CB-CG 4.29Å; P127-R130 WeakPolarHBondContact O-CB 3.33Å; P127-R130 PolarHBondContact O-N 3.35Å; K128-R130 PolarHBondContact O-N 2.99Å; R130-F190 HydrophobicContact CB-CD2 3.9Å; R130-F190 HydrophobicContact CB-CE2 3.7Å; R130-F190 HydrophobicContact CG-CE2 4.38Å; R130-F190 VanDerWaalsContact NE-CZ 3.33Å; R130-F190 CarbonylContact O-C 3.58Å; R130-F190 WeakPolarHBondContact O-CA 3.37Å; R130-R191 VanDerWaalsContact CZ-O 3.25Å; R130-R191 PolarHBondContact NE-O 3.49Å; R130-R191 PolarHBondContact NH2-O 3.47Å; R130-R191 PolarHBondContact O-N 2.93Å; R130-A192 VanDerWaalsContact NH2-CA 3.29Å |
| 131 | L | 98.2 | Very high | 95.9 | Very high | 4 Ų | 4 | 59.2 Ų | 59.2 | 2% | 0.021 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 137 | 177.3 | -62.4 | 175.2 | 0 | 0 | 0 | 110.3 | W117 L120 T121 I126 K128 I188 Y189 F190 L200 | W117-L131 HydrophobicContact CE3-CD1 4.35Å; W117-L131 HydrophobicContact CH2-CB 3.77Å; W117-L131 HydrophobicContact CH2-CD1 4.01Å; W117-L131 HydrophobicContact CZ3-CB 3.77Å; W117-L131 HydrophobicContact CZ3-CD1 3.81Å; W117-L131 HydrophobicContact CZ3-CG 4.45Å; L120-L131 HydrophobicContact CB-CD1 4.22Å; T121-L131 HydrophobicContact CG2-CD1 3.53Å; I126-L131 HydrophobicContact CG2-CD1 4.34Å; I126-L131 HydrophobicContact CG2-CD2 3.94Å; I126-L131 HydrophobicContact CG2-CG 4.11Å; K128-L131 PolarHBondContact O-N 3.43Å; L131-I188 HydrophobicContact CD2-CG2 4.16Å; L131-Y189 WeakPolarHBondContact CA-O 3.24Å; L131-F190 HydrophobicContact CD2-CB 4.49Å; L131-F190 HydrophobicContact CD2-CD2 4.44Å; L131-L200 HydrophobicContact CD2-CD1 4.39Å |
| 132 | M | 98 | Very high | 95 | Very high | 51 Ų | 51 | 62.1 Ų | 62.1 | 25% | 0.251 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 158.7 | 169.3 | 66.1 | -174.1 | 66.2 | 0 | 0 | 108.2 | S163 Y189 R191 A197 | M132-S163 CarbonylContact C-O 3.56Å; M132-S163 WeakPolarHBondContact CA-O 3.39Å; M132-Y189 HydrophobicContact CG-CG 4.35Å; M132-Y189 PolarHBondContact N-O 3.33Å; M132-Y189 PolarHBondContact O-N 3.26Å; M132-R191 HydrophobicContact CE-CB 3.94Å; M132-R191 HydrophobicContact CE-CG 4.42Å; M132-A197 HydrophobicContact SD-CB 4.41Å |
| 133 | V | 98.6 | Very high | 94.4 | Very high | 3 Ų | 3 | 59.8 Ų | 59.8 | 2% | 0.018 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 153.2 | -178.7 | -58.2 | 0 | 0 | 0 | 0 | 111 | W154 L159 S163 I164 A165 E187 I188 | V133-W154 HydrophobicContact CB-CD2 4.3Å; V133-W154 HydrophobicContact CB-CG 4.45Å; V133-W154 HydrophobicContact CG1-CD2 4.06Å; V133-W154 HydrophobicContact CG1-CE3 4.19Å; V133-W154 HydrophobicContact CG1-CH2 4.28Å; V133-W154 HydrophobicContact CG1-CZ2 4.11Å; V133-W154 HydrophobicContact CG1-CZ3 4.3Å; V133-W154 HydrophobicContact CG2-CB 4.09Å; V133-W154 HydrophobicContact CG2-CD2 3.97Å; V133-W154 HydrophobicContact CG2-CG 3.68Å; V133-L159 HydrophobicContact CB-CD2 4.2Å; V133-L159 HydrophobicContact CG1-CD2 3.62Å; V133-L159 HydrophobicContact CG2-CD2 3.57Å; V133-S163 PolarHBondContact N-O 3.01Å; V133-I164 HydrophobicContact CG2-CB 4.15Å; V133-I164 HydrophobicContact CG2-CG1 3.73Å; V133-I164 HydrophobicContact CG2-CG2 4.11Å; V133-I164 CarbonylContact O-C 3.48Å; V133-I164 WeakPolarHBondContact O-CA 3.45Å; V133-A165 PolarHBondContact O-N 3.36Å; V133-E187 CarbonylContact C-O 3.57Å; V133-E187 WeakPolarHBondContact CA-O 3.23Å; V133-I188 HydrophobicContact CG1-CB 4.49Å; V133-I188 HydrophobicContact CG1-CG1 4.12Å; V133-I188 HydrophobicContact CG1-CG2 4.34Å |
| 134 | S | 98.3 | Very high | 93.9 | Very high | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 156.3 | 168.7 | 64.1 | 0 | 0 | 0 | 0 | 111.1 | A165 N172 T186 E187 | S134-A165 CarbonylContact C-O 3.41Å; S134-A165 WeakPolarHBondContact CA-O 3.27Å; S134-N172 WeakPolarHBondContact CB-OD1 3.43Å; S134-N172 PolarHBondContact OG-ND2 3.12Å; S134-N172 PolarHBondContact OG-OD1 3.03Å; S134-N172 VanDerWaalsContact OG-OD1 3.09Å; S134-T186 VanDerWaalsContact O-CA 3.23Å; S134-T186 WeakPolarHBondContact O-CA 3.36Å; S134-T186 WeakPolarHBondContact O-CB 3.3Å; S134-T186 PolarHBondContact O-OG1 3.46Å; S134-E187 PolarHBondContact N-O 2.97Å; S134-E187 PolarHBondContact O-N 2.76Å; S134-E187 WeakPolarHBondContact OG-CB 3.35Å; S134-E187 PolarHBondContact OG-N 2.96Å; S134-E187 PolarHBondContact OG-OE2 3.28Å |
| 135 | F | 98.2 | Very high | 93.7 | Very high | 12 Ų | 12 | 61.7 Ų | 61.7 | 5% | 0.053 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 159.4 | 170.6 | 74.3 | -80.7 | 0 | 0 | 0 | 110.3 | G137 S146 D147 L148 T150 R151 I164 A165 A166 R167 N172 | F135-G137 PolarHBondContact O-N 3.07Å; F135-S146 WeakPolarHBondContact CE2-OG 3.32Å; F135-D147 WeakPolarHBondContact CD2-O 3.38Å; F135-L148 HydrophobicContact CE2-CD2 4.28Å; F135-T150 HydrophobicContact CB-CG2 4.14Å; F135-R151 HydrophobicContact CD1-CB 4.12Å; F135-R151 HydrophobicContact CD2-CB 4.12Å; F135-R151 HydrophobicContact CE1-CB 4.06Å; F135-R151 HydrophobicContact CE1-CG 4.14Å; F135-R151 HydrophobicContact CE2-CB 4.07Å; F135-R151 HydrophobicContact CG-CB 4.15Å; F135-R151 HydrophobicContact CZ-CB 4.04Å; F135-R151 HydrophobicContact CZ-CG 4.24Å; F135-I164 HydrophobicContact CD1-CG2 3.72Å; F135-I164 HydrophobicContact CE1-CG2 4.02Å; F135-A165 WeakPolarHBondContact CD1-O 3.18Å; F135-A165 PolarHBondContact N-O 3.47Å; F135-A166 HydrophobicContact CD1-CB 4.44Å; F135-A166 HydrophobicContact CE1-CB 3.69Å; F135-A166 HydrophobicContact CE2-CB 4.17Å; F135-A166 HydrophobicContact CZ-CB 3.53Å; F135-A166 WeakPolarHBondContact O-CA 3.12Å; F135-R167 PolarHBondContact O-N 3.25Å; F135-N172 PolarHBondContact O-OD1 3.48Å |
| 136 | F | 97.9 | Very high | 93.7 | Very high | 1 Ų | 1 | 56.7 Ų | 56.7 | 0% | 0.004 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.3 | 115.7 | -179.2 | -175.4 | -117.6 | 0 | 0 | 0 | 112.3 | G138 D139 I144 S146 D147 V169 N172 F173 P184 C185 | F136-G138 VanDerWaalsContact C-N 3.26Å; F136-G138 VanDerWaalsContact CZ-C 3.43Å; F136-G138 PolarHBondContact O-N 3.22Å; F136-D139 HydrophobicContact CZ-CB 3.99Å; F136-I144 HydrophobicContact CD1-CG2 4.41Å; F136-I144 HydrophobicContact CE1-CB 3.91Å; F136-I144 HydrophobicContact CE1-CG2 3.52Å; F136-I144 HydrophobicContact CZ-CB 4.24Å; F136-I144 HydrophobicContact CZ-CG2 4.24Å; F136-S146 CarbonylContact O-C 3.49Å; F136-S146 WeakPolarHBondContact O-CA 3.45Å; F136-S146 PolarHBondContact O-OG 2.92Å; F136-D147 HydrophobicContact CB-CB 4.02Å; F136-D147 PolarHBondContact O-N 3.41Å; F136-V169 HydrophobicContact CE2-CG2 4.02Å; F136-V169 HydrophobicContact CZ-CG2 4.28Å; F136-N172 HydrophobicContact CB-CB 4Å; F136-N172 WeakPolarHBondContact CB-O 3.48Å; F136-N172 HydrophobicContact CD2-CB 4.07Å; F136-N172 WeakPolarHBondContact CD2-O 3.48Å; F136-F173 HydrophobicContact CD2-CB 4.22Å; F136-F173 HydrophobicContact CE2-CB 3.88Å; F136-F173 HydrophobicContact CE2-CD2 4.14Å; F136-F173 HydrophobicContact CE2-CG 4.47Å; F136-F173 HydrophobicContact CZ-CD2 4.07Å; F136-P184 HydrophobicContact CB-CB 3.67Å; F136-P184 HydrophobicContact CD1-CB 3.76Å; F136-P184 HydrophobicContact CG-CB 3.79Å; F136-C185 PolarHBondContact N-O 3.17Å |
| 137 | G | 97 | Very high | 93.6 | Very high | 30 Ų | 30 | 57 Ų | 57 | 31% | 0.309 | 31% | 0.314 | S | S | . | . | trans | -75.5 | -7.8 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | F135 S146 R167 | F135-G137 PolarHBondContact O-N 3.07Å; G137-S146 VanDerWaalsContact O-CB 3.32Å; G137-S146 WeakPolarHBondContact O-CB 3.39Å; G137-S146 PolarHBondContact O-OG 3.08Å; G137-R167 WeakPolarHBondContact CA-O 3.41Å; G137-R167 PolarHBondContact N-O 3.05Å | ||
| 138 | G | 94 | Very high | 93.7 | Very high | 18 Ų | 18 | 59 Ų | 59 | 19% | 0.186 | 32% | 0.321 | C | S | . | . | trans | 97.7 | 167.5 | -173.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | F136 I144 | F136-G138 VanDerWaalsContact C-N 3.26Å; F136-G138 VanDerWaalsContact CZ-C 3.43Å; F136-G138 PolarHBondContact O-N 3.22Å; G138-I144 CarbonylContact C-O 3.49Å; G138-I144 VanDerWaalsContact CA-O 3.29Å; G138-I144 WeakPolarHBondContact CA-O 3.26Å | ||
| 139 | D | 90.3 | Very high | 93.7 | Very high | 35 Ų | 35 | 58.5 Ų | 58.5 | 19% | 0.187 | 32% | 0.32 | C | S | . | . | B | Isolated β-bridge | trans | -147.6 | 110.4 | 173.2 | -174 | 58.5 | 0 | 0 | 0 | 110.9 | F136 K141 Y142 G143 I144 V169 | F136-D139 HydrophobicContact CZ-CB 3.99Å; D139-K141 VanDerWaalsContact C-N 3.25Å; D139-K141 PolarHBondContact O-N 2.94Å; D139-K141 WeakPolarHBondContact OD2-CB 3.37Å; D139-Y142 WeakPolarHBondContact OD2-CB 3.44Å; D139-Y142 WeakPolarHBondContact OD2-CD2 3.37Å; D139-Y142 PolarHBondContact OD2-N 2.96Å; D139-G143 PolarHBondContact O-N 2.61Å; D139-I144 PolarHBondContact N-O 3.22Å; D139-I144 PolarHBondContact O-N 2.92Å; D139-V169 HydrophobicContact CB-CG2 3.32Å; D139-V169 WeakPolarHBondContact OD1-CG2 3.35Å |
| 140 | E | 86.6 | Confident | 93.8 | Very high | 195 Ų | 195 | 52.3 Ų | 52.3 | 91% | 0.911 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64 | -32.9 | 179.3 | -65.5 | -177.5 | 174 | 0 | 0 | 111.8 | G143 | E140-G143 PolarHBondContact O-N 3.44Š|
| 141 | K | 83.2 | Confident | 93.8 | Very high | 171 Ų | 171 | 53.2 Ų | 53.2 | 74% | 0.743 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | -43.3 | -177.2 | -179.4 | -176.2 | 176 | -175.1 | 0 | 112.5 | D139 | D139-K141 VanDerWaalsContact C-N 3.25Å; D139-K141 PolarHBondContact O-N 2.94Å; D139-K141 WeakPolarHBondContact OD2-CB 3.37Å |
| 142 | Y | 79.1 | Confident | 93.9 | Very high | 75 Ų | 75 | 56.9 Ų | 56.9 | 29% | 0.294 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.4 | 1 | 175.5 | -66.3 | -60.8 | 0 | 0 | 0 | 113.3 | D139 I144 | D139-Y142 WeakPolarHBondContact OD2-CB 3.44Å; D139-Y142 WeakPolarHBondContact OD2-CD2 3.37Å; D139-Y142 PolarHBondContact OD2-N 2.96Å; Y142-I144 VanDerWaalsContact C-N 3.31Å; Y142-I144 PolarHBondContact O-N 3.35Å |
| 143 | G | 84.9 | Confident | 93.9 | Very high | 70 Ų | 70 | 54.9 Ų | 54.9 | 72% | 0.722 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66 | 30.2 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | D139 E140 | D139-G143 PolarHBondContact O-N 2.61Å; E140-G143 PolarHBondContact O-N 3.44Å |
| 144 | I | 89.2 | Confident | 93.9 | Very high | 14 Ų | 14 | 54.7 Ų | 54.7 | 7% | 0.072 | 30% | 0.301 | C | S | . | . | B | Isolated β-bridge | trans | -99.7 | 121.5 | -178.1 | -44.7 | 178.3 | 0 | 0 | 0 | 108.9 | F136 G138 D139 Y142 F173 Y208 L217 | F136-I144 HydrophobicContact CD1-CG2 4.41Å; F136-I144 HydrophobicContact CE1-CB 3.91Å; F136-I144 HydrophobicContact CE1-CG2 3.52Å; F136-I144 HydrophobicContact CZ-CB 4.24Å; F136-I144 HydrophobicContact CZ-CG2 4.24Å; G138-I144 CarbonylContact C-O 3.49Å; G138-I144 VanDerWaalsContact CA-O 3.29Å; G138-I144 WeakPolarHBondContact CA-O 3.26Å; D139-I144 PolarHBondContact N-O 3.22Å; D139-I144 PolarHBondContact O-N 2.92Å; Y142-I144 VanDerWaalsContact C-N 3.31Å; Y142-I144 PolarHBondContact O-N 3.35Å; I144-F173 HydrophobicContact CD1-CD2 4.08Å; I144-F173 HydrophobicContact CD1-CE2 3.43Å; I144-F173 VanDerWaalsContact CD1-CE2 3.43Å; I144-F173 HydrophobicContact CD1-CZ 3.92Å; I144-Y208 HydrophobicContact CG2-CE2 4.44Å; I144-L217 HydrophobicContact CD1-CD1 3.47Å; I144-L217 VanDerWaalsContact CD1-CD1 3.47Å; I144-L217 HydrophobicContact CG1-CD1 4.37Å |
| 145 | A | 93.4 | Very high | 93.9 | Very high | 81 Ų | 81 | 57 Ų | 57 | 67% | 0.669 | 31% | 0.313 | S | S | * | . | P | Polyproline II helix | trans | -68.3 | 158.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||
| 146 | S | 96.4 | Very high | 93.9 | Very high | 42 Ų | 42 | 62.1 Ų | 62.1 | 29% | 0.294 | 34% | 0.337 | S | S | . | . | P | Polyproline II helix | trans | -59.7 | 137.7 | 170 | -170 | 0 | 0 | 0 | 0 | 111.3 | F135 F136 G137 L148 | F135-S146 WeakPolarHBondContact CE2-OG 3.32Å; F136-S146 CarbonylContact O-C 3.49Å; F136-S146 WeakPolarHBondContact O-CA 3.45Å; F136-S146 PolarHBondContact O-OG 2.92Å; G137-S146 VanDerWaalsContact O-CB 3.32Å; G137-S146 WeakPolarHBondContact O-CB 3.39Å; G137-S146 PolarHBondContact O-OG 3.08Å; S146-L148 PolarHBondContact O-N 3.36Å |
| 147 | D | 96.5 | Very high | 93.9 | Very high | 13 Ų | 13 | 63.7 Ų | 63.7 | 7% | 0.07 | 35% | 0.345 | C | S | . | . | trans | -82.4 | 67.3 | 179.1 | -169.3 | 6.6 | 0 | 0 | 0 | 111.5 | K109 F135 F136 E149 T150 R151 | K109-D147 IonicContact NZ-OD1 2.82Å; K109-D147 PolarHBondContact NZ-OD1 3.23Å; K109-D147 IonicContact NZ-OD2 2.95Å; K109-D147 PolarHBondContact NZ-OD2 2.88Å; F135-D147 WeakPolarHBondContact CD2-O 3.38Å; F136-D147 HydrophobicContact CB-CB 4.02Å; F136-D147 PolarHBondContact O-N 3.41Å; D147-E149 PolarHBondContact O-N 2.79Å; D147-T150 PolarHBondContact O-N 3.05Å; D147-T150 PolarHBondContact OD1-N 2.61Å; D147-T150 PolarHBondContact OD1-OG1 2.66Å; D147-T150 WeakPolarHBondContact OD2-CB 3.5Å; D147-T150 PolarHBondContact OD2-OG1 2.92Å; D147-R151 PolarHBondContact O-N 3.06Å | ||
| 148 | L | 97.3 | Very high | 93.9 | Very high | 98 Ų | 98 | 65.2 Ų | 65.2 | 51% | 0.513 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -63.8 | -27.3 | -179.9 | -60.5 | -178.4 | 0 | 0 | 0 | 112.5 | F135 S146 T150 R151 E152 | F135-L148 HydrophobicContact CE2-CD2 4.28Å; S146-L148 PolarHBondContact O-N 3.36Å; L148-T150 VanDerWaalsContact C-N 3.33Å; L148-T150 PolarHBondContact O-N 3.47Å; L148-R151 WeakPolarHBondContact O-CB 3.41Å; L148-R151 PolarHBondContact O-N 2.88Å; L148-E152 WeakPolarHBondContact O-CG 3.44Å; L148-E152 PolarHBondContact O-N 3.43Å |
| 149 | E | 97.5 | Very high | 94 | Very high | 105 Ų | 105 | 65 Ų | 65 | 49% | 0.491 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -57.1 | -48.3 | 174 | -176.6 | -167.1 | 176 | 0 | 0 | 110.7 | K109 D147 R151 E152 V153 | K109-E149 WeakPolarHBondContact CD-OE2 3.43Å; K109-E149 WeakPolarHBondContact CE-OE2 3.17Å; K109-E149 IonicContact NZ-OE2 3.23Å; K109-E149 PolarHBondContact NZ-OE2 2.99Å; D147-E149 PolarHBondContact O-N 2.79Å; E149-R151 VanDerWaalsContact C-N 3.33Å; E149-R151 PolarHBondContact O-N 2.95Å; E149-E152 PolarHBondContact O-N 2.91Å; E149-V153 WeakPolarHBondContact O-CG2 3.4Å; E149-V153 PolarHBondContact O-N 3Å |
| 150 | T | 97.9 | Very high | 94.3 | Very high | 0 Ų | 0 | 70.8 Ų | 70.8 | 0% | 0 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -65.4 | -36.5 | 179 | -64.4 | 0 | 0 | 0 | 0 | 112.2 | K109 F135 D147 L148 V153 W154 T186 F205 | K109-T150 WeakPolarHBondContact CD-OG1 3.39Å; F135-T150 HydrophobicContact CB-CG2 4.14Å; D147-T150 PolarHBondContact O-N 3.05Å; D147-T150 PolarHBondContact OD1-N 2.61Å; D147-T150 PolarHBondContact OD1-OG1 2.66Å; D147-T150 WeakPolarHBondContact OD2-CB 3.5Å; D147-T150 PolarHBondContact OD2-OG1 2.92Å; L148-T150 VanDerWaalsContact C-N 3.33Å; L148-T150 PolarHBondContact O-N 3.47Å; T150-V153 PolarHBondContact O-N 2.8Å; T150-W154 PolarHBondContact O-N 3.47Å; T150-W154 VanDerWaalsContact O-N 3.14Å; T150-T186 HydrophobicContact CG2-CG2 3.85Å; T150-F205 HydrophobicContact CG2-CE2 4.09Å; T150-F205 VanDerWaalsContact OG1-CE2 3.27Å; T150-F205 WeakPolarHBondContact OG1-CE2 3.42Å |
| 151 | R | 98.2 | Very high | 94.7 | Very high | 99 Ų | 99 | 65.6 Ų | 65.6 | 37% | 0.374 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -58.9 | -49.4 | 172.4 | 173.9 | -176.1 | 176 | -106.9 | 6.9 | 111.6 | F135 D147 L148 E149 V153 W154 L155 I164 | F135-R151 HydrophobicContact CD1-CB 4.12Å; F135-R151 HydrophobicContact CD2-CB 4.12Å; F135-R151 HydrophobicContact CE1-CB 4.06Å; F135-R151 HydrophobicContact CE1-CG 4.14Å; F135-R151 HydrophobicContact CE2-CB 4.07Å; F135-R151 HydrophobicContact CG-CB 4.15Å; F135-R151 HydrophobicContact CZ-CB 4.04Å; F135-R151 HydrophobicContact CZ-CG 4.24Å; D147-R151 PolarHBondContact O-N 3.06Å; L148-R151 WeakPolarHBondContact O-CB 3.41Å; L148-R151 PolarHBondContact O-N 2.88Å; E149-R151 VanDerWaalsContact C-N 3.33Å; E149-R151 PolarHBondContact O-N 2.95Å; R151-V153 VanDerWaalsContact C-N 3.35Å; R151-V153 PolarHBondContact O-N 2.97Å; R151-W154 PolarHBondContact O-N 3.4Å; R151-L155 HydrophobicContact CG-CD1 4.24Å; R151-L155 WeakPolarHBondContact O-CG 3.5Å; R151-L155 PolarHBondContact O-N 3.1Å; R151-L155 VanDerWaalsContact O-N 3.1Å; R151-I164 HydrophobicContact CG-CG2 4.33Å |
| 152 | E | 98.4 | Very high | 95.3 | Very high | 82 Ų | 82 | 65.3 Ų | 65.3 | 38% | 0.383 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -64.8 | -39.2 | -179.9 | -64.7 | -48.3 | 134.4 | 0 | 0 | 111.8 | L148 E149 W154 L155 E156 | L148-E152 WeakPolarHBondContact O-CG 3.44Å; L148-E152 PolarHBondContact O-N 3.43Å; E149-E152 PolarHBondContact O-N 2.91Å; E152-W154 VanDerWaalsContact C-N 3.31Å; E152-W154 PolarHBondContact O-N 3.09Å; E152-L155 WeakPolarHBondContact O-CB 3.34Å; E152-L155 PolarHBondContact O-N 3.16Å; E152-E156 WeakPolarHBondContact O-CG 3.23Å; E152-E156 PolarHBondContact O-N 3.47Å |
| 153 | V | 98.4 | Very high | 96.2 | Very high | 8 Ų | 8 | 63.5 Ų | 63.5 | 5% | 0.048 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -55.8 | -44.5 | 173.3 | 164.6 | 0 | 0 | 0 | 0 | 111.8 | K110 C113 E149 T150 R151 E156 I157 | K110-V153 HydrophobicContact CB-CG1 4.41Å; K110-V153 HydrophobicContact CB-CG2 3.85Å; K110-V153 HydrophobicContact CG-CG2 4.35Å; C113-V153 HydrophobicContact CB-CG1 3.6Å; E149-V153 WeakPolarHBondContact O-CG2 3.4Å; E149-V153 PolarHBondContact O-N 3Å; T150-V153 PolarHBondContact O-N 2.8Å; R151-V153 VanDerWaalsContact C-N 3.35Å; R151-V153 PolarHBondContact O-N 2.97Å; V153-E156 PolarHBondContact O-N 3.32Å; V153-I157 HydrophobicContact CG1-CD1 3.93Å; V153-I157 VanDerWaalsContact O-CG1 3.28Å; V153-I157 WeakPolarHBondContact O-CG1 3.44Å; V153-I157 PolarHBondContact O-N 3.16Å |
| 154 | W | 98.6 | Very high | 96.8 | Very high | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -68.9 | -35.4 | 178.6 | -72.1 | 124.8 | 0 | 0 | 0 | 113.1 | C113 W117 V133 T150 R151 E152 I157 G158 L159 I164 T186 I188 I203 | C113-W154 HydrophobicContact CB-CE3 4.49Å; C113-W154 HydrophobicContact CB-CH2 3.76Å; C113-W154 HydrophobicContact CB-CZ2 3.84Å; C113-W154 HydrophobicContact CB-CZ3 4.11Å; W117-W154 HydrophobicContact CB-CZ3 4.18Å; W117-W154 HydrophobicContact CD2-CZ3 4.34Å; W117-W154 AromaticContact CE3-CZ3 3.86Å; W117-W154 HydrophobicContact CE3-CZ3 3.86Å; V133-W154 HydrophobicContact CB-CD2 4.3Å; V133-W154 HydrophobicContact CB-CG 4.45Å; V133-W154 HydrophobicContact CG1-CD2 4.06Å; V133-W154 HydrophobicContact CG1-CE3 4.19Å; V133-W154 HydrophobicContact CG1-CH2 4.28Å; V133-W154 HydrophobicContact CG1-CZ2 4.11Å; V133-W154 HydrophobicContact CG1-CZ3 4.3Å; V133-W154 HydrophobicContact CG2-CB 4.09Å; V133-W154 HydrophobicContact CG2-CD2 3.97Å; V133-W154 HydrophobicContact CG2-CG 3.68Å; T150-W154 PolarHBondContact O-N 3.47Å; T150-W154 VanDerWaalsContact O-N 3.14Å; R151-W154 PolarHBondContact O-N 3.4Å; E152-W154 VanDerWaalsContact C-N 3.31Å; E152-W154 PolarHBondContact O-N 3.09Å; W154-I157 HydrophobicContact CD2-CD1 4.37Å; W154-I157 HydrophobicContact CE3-CB 4.45Å; W154-I157 HydrophobicContact CE3-CD1 3.52Å; W154-I157 HydrophobicContact CE3-CG2 4.48Å; W154-I157 HydrophobicContact CZ3-CD1 3.65Å; W154-I157 PolarHBondContact O-N 3.02Å; W154-G158 PolarHBondContact O-N 3.48Å; W154-L159 HydrophobicContact CE3-CD1 3.8Å; W154-L159 HydrophobicContact CE3-CD2 4.39Å; W154-L159 HydrophobicContact CZ3-CD1 4.48Å; W154-L159 WeakPolarHBondContact O-CD1 3.48Å; W154-L159 PolarHBondContact O-N 2.99Å; W154-L159 VanDerWaalsContact O-N 3.13Å; W154-I164 HydrophobicContact CB-CD1 3.76Å; W154-I164 HydrophobicContact CB-CG1 4.19Å; W154-T186 HydrophobicContact CZ2-CG2 4.14Å; W154-T186 PolarHBondContact NE1-OG1 3.4Å; W154-I188 HydrophobicContact CH2-CD1 3.83Å; W154-I188 HydrophobicContact CH2-CG1 4.15Å; W154-I188 HydrophobicContact CZ2-CD1 4.37Å; W154-I188 HydrophobicContact CZ2-CG1 4.27Å; W154-I203 HydrophobicContact CZ2-CD1 4.45Å |
| 155 | L | 98.3 | Very high | 97.2 | Very high | 48 Ų | 48 | 62.7 Ų | 62.7 | 25% | 0.251 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -63.8 | -43.7 | 172 | -70.2 | 169.3 | 0 | 0 | 0 | 111.2 | R151 E152 I157 G158 P161 I164 | R151-L155 HydrophobicContact CG-CD1 4.24Å; R151-L155 WeakPolarHBondContact O-CG 3.5Å; R151-L155 PolarHBondContact O-N 3.1Å; R151-L155 VanDerWaalsContact O-N 3.1Å; E152-L155 WeakPolarHBondContact O-CB 3.34Å; E152-L155 PolarHBondContact O-N 3.16Å; L155-I157 VanDerWaalsContact C-N 3.33Å; L155-I157 PolarHBondContact O-N 3.36Å; L155-G158 WeakPolarHBondContact O-CA 3.31Å; L155-G158 PolarHBondContact O-N 2.94Å; L155-P161 HydrophobicContact CD2-CG 4.09Å; L155-I164 HydrophobicContact CD2-CD1 3.59Å; L155-I164 HydrophobicContact CG-CD1 3.73Å |
| 156 | E | 98 | Very high | 97.4 | Very high | 120 Ų | 120 | 61.8 Ų | 61.8 | 56% | 0.561 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -63.1 | -35.8 | 175.8 | -73.5 | -177.5 | -170.6 | 0 | 0 | 113 | K110 E152 V153 G158 | K110-E156 WeakPolarHBondContact CE-OE2 3.23Å; K110-E156 IonicContact NZ-OE2 2.64Å; K110-E156 PolarHBondContact NZ-OE2 3.44Å; E152-E156 WeakPolarHBondContact O-CG 3.23Å; E152-E156 PolarHBondContact O-N 3.47Å; V153-E156 PolarHBondContact O-N 3.32Å; E156-G158 PolarHBondContact O-N 3.02Å |
| 157 | I | 97.9 | Very high | 97.4 | Very high | 34 Ų | 34 | 63 Ų | 63 | 17% | 0.174 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -64.4 | -21.5 | 172.9 | -71.5 | 166.5 | 0 | 0 | 0 | 111.3 | C113 Q114 W117 V153 W154 L155 L159 | C113-I157 HydrophobicContact CB-CD1 3.8Å; Q114-I157 HydrophobicContact CG-CD1 4.01Å; Q114-I157 HydrophobicContact CG-CG1 3.9Å; W117-I157 HydrophobicContact CB-CG2 4.12Å; W117-I157 HydrophobicContact CD2-CG2 3.91Å; W117-I157 HydrophobicContact CG-CG2 3.52Å; V153-I157 HydrophobicContact CG1-CD1 3.93Å; V153-I157 VanDerWaalsContact O-CG1 3.28Å; V153-I157 WeakPolarHBondContact O-CG1 3.44Å; V153-I157 PolarHBondContact O-N 3.16Å; W154-I157 HydrophobicContact CD2-CD1 4.37Å; W154-I157 HydrophobicContact CE3-CB 4.45Å; W154-I157 HydrophobicContact CE3-CD1 3.52Å; W154-I157 HydrophobicContact CE3-CG2 4.48Å; W154-I157 HydrophobicContact CZ3-CD1 3.65Å; W154-I157 PolarHBondContact O-N 3.02Å; L155-I157 VanDerWaalsContact C-N 3.33Å; L155-I157 PolarHBondContact O-N 3.36Å; I157-L159 HydrophobicContact CB-CD1 4.11Å; I157-L159 HydrophobicContact CG2-CD1 3.68Å |
| 158 | G | 96.7 | Very high | 97.3 | Very high | 61 Ų | 61 | 64 Ų | 64 | 63% | 0.629 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 105.3 | 18 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | W154 L155 E156 | W154-G158 PolarHBondContact O-N 3.48Å; L155-G158 WeakPolarHBondContact O-CA 3.31Å; L155-G158 PolarHBondContact O-N 2.94Å; E156-G158 PolarHBondContact O-N 3.02Å |
| 159 | L | 97.4 | Very high | 97.1 | Very high | 14 Ų | 14 | 61.3 Ų | 61.3 | 7% | 0.073 | 34% | 0.344 | C | S | . | . | trans | -71.8 | 144.3 | 171.1 | -76.3 | 79.6 | 0 | 0 | 0 | 110.2 | W117 V133 W154 I157 I164 | W117-L159 HydrophobicContact CD2-CD1 4.13Å; W117-L159 HydrophobicContact CE3-CD1 4.11Å; W117-L159 HydrophobicContact CH2-CD1 3.66Å; W117-L159 HydrophobicContact CH2-CD2 3.81Å; W117-L159 HydrophobicContact CH2-CG 3.68Å; W117-L159 HydrophobicContact CZ2-CD1 3.66Å; W117-L159 HydrophobicContact CZ2-CG 4.02Å; W117-L159 HydrophobicContact CZ3-CD1 3.89Å; W117-L159 HydrophobicContact CZ3-CD2 3.84Å; W117-L159 HydrophobicContact CZ3-CG 4.12Å; V133-L159 HydrophobicContact CB-CD2 4.2Å; V133-L159 HydrophobicContact CG1-CD2 3.62Å; V133-L159 HydrophobicContact CG2-CD2 3.57Å; W154-L159 HydrophobicContact CE3-CD1 3.8Å; W154-L159 HydrophobicContact CE3-CD2 4.39Å; W154-L159 HydrophobicContact CZ3-CD1 4.48Å; W154-L159 WeakPolarHBondContact O-CD1 3.48Å; W154-L159 PolarHBondContact O-N 2.99Å; W154-L159 VanDerWaalsContact O-N 3.13Å; I157-L159 HydrophobicContact CB-CD1 4.11Å; I157-L159 HydrophobicContact CG2-CD1 3.68Å; L159-I164 HydrophobicContact CB-CD1 3.95Å; L159-I164 HydrophobicContact CB-CG1 3.99Å; L159-I164 HydrophobicContact CD2-CG1 4.4Å | ||
| 160 | K | 96.1 | Very high | 96.8 | Very high | 156 Ų | 156 | 61.2 Ų | 61.2 | 68% | 0.678 | 36% | 0.361 | S | S | * | . | trans | -72.7 | 147.6 | 173.8 | -64.5 | -178.6 | -179.7 | -179.3 | 0 | 109.8 | D162 S163 | K160-D162 PolarHBondContact O-N 3.23Å; K160-S163 WeakPolarHBondContact O-CA 3.42Å; K160-S163 WeakPolarHBondContact O-CB 3.45Å; K160-S163 PolarHBondContact O-N 2.91Å | ||
| 161 | P | 96.2 | Very high | 96.6 | Very high | 86 Ų | 86 | 64.6 Ų | 64.6 | 56% | 0.558 | 38% | 0.379 | S | S | * | . | G | 310 helix | trans | -49.8 | -42 | 176.5 | -29.7 | 35.8 | 0 | 0 | 0 | 114 | L155 S163 I164 | L155-P161 HydrophobicContact CD2-CG 4.09Å; P161-S163 PolarHBondContact O-N 2.52Å; P161-S163 VanDerWaalsContact O-N 3.11Å; P161-I164 PolarHBondContact O-N 2.81Å |
| 162 | D | 95.8 | Very high | 96.5 | Very high | 165 Ų | 165 | 59.9 Ų | 59.9 | 88% | 0.882 | 36% | 0.362 | S | S | * | . | G | 310 helix | trans | -68 | -10.8 | 179.8 | -58.2 | -16.8 | 0 | 0 | 0 | 114.1 | K160 | K160-D162 PolarHBondContact O-N 3.23Š|
| 163 | S | 96.6 | Very high | 96.4 | Very high | 38 Ų | 38 | 56.8 Ų | 56.8 | 27% | 0.266 | 35% | 0.347 | S | S | . | . | G | 310 helix | trans | -98.8 | 5.9 | 174.4 | -54.2 | 0 | 0 | 0 | 0 | 112.5 | M132 V133 K160 P161 | M132-S163 CarbonylContact C-O 3.56Å; M132-S163 WeakPolarHBondContact CA-O 3.39Å; V133-S163 PolarHBondContact N-O 3.01Å; K160-S163 WeakPolarHBondContact O-CA 3.42Å; K160-S163 WeakPolarHBondContact O-CB 3.45Å; K160-S163 PolarHBondContact O-N 2.91Å; P161-S163 PolarHBondContact O-N 2.52Å; P161-S163 VanDerWaalsContact O-N 3.11Å |
| 164 | I | 98.1 | Very high | 96.2 | Very high | 20 Ų | 20 | 59 Ų | 59 | 10% | 0.103 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 107 | -179.4 | -54.6 | 170.1 | 0 | 0 | 0 | 108.5 | V133 F135 R151 W154 L155 L159 P161 | V133-I164 HydrophobicContact CG2-CB 4.15Å; V133-I164 HydrophobicContact CG2-CG1 3.73Å; V133-I164 HydrophobicContact CG2-CG2 4.11Å; V133-I164 CarbonylContact O-C 3.48Å; V133-I164 WeakPolarHBondContact O-CA 3.45Å; F135-I164 HydrophobicContact CD1-CG2 3.72Å; F135-I164 HydrophobicContact CE1-CG2 4.02Å; R151-I164 HydrophobicContact CG-CG2 4.33Å; W154-I164 HydrophobicContact CB-CD1 3.76Å; W154-I164 HydrophobicContact CB-CG1 4.19Å; L155-I164 HydrophobicContact CD2-CD1 3.59Å; L155-I164 HydrophobicContact CG-CD1 3.73Å; L159-I164 HydrophobicContact CB-CD1 3.95Å; L159-I164 HydrophobicContact CB-CG1 3.99Å; L159-I164 HydrophobicContact CD2-CG1 4.4Å; P161-I164 PolarHBondContact O-N 2.81Å |
| 165 | A | 97.6 | Very high | 95.7 | Very high | 46 Ų | 46 | 62.3 Ų | 62.3 | 38% | 0.38 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 131.9 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | V133 S134 F135 | V133-A165 PolarHBondContact O-N 3.36Å; S134-A165 CarbonylContact C-O 3.41Å; S134-A165 WeakPolarHBondContact CA-O 3.27Å; F135-A165 WeakPolarHBondContact CD1-O 3.18Å; F135-A165 PolarHBondContact N-O 3.47Å |
| 166 | A | 97.6 | Very high | 94.7 | Very high | 62 Ų | 62 | 60.4 Ų | 60.4 | 51% | 0.512 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 131.7 | 166.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | F135 | F135-A166 HydrophobicContact CD1-CB 4.44Å; F135-A166 HydrophobicContact CE1-CB 3.69Å; F135-A166 HydrophobicContact CE2-CB 4.17Å; F135-A166 HydrophobicContact CZ-CB 3.53Å; F135-A166 WeakPolarHBondContact O-CA 3.12Å |
| 167 | R | 96.9 | Very high | 93.7 | Very high | 68 Ų | 68 | 56.6 Ų | 56.6 | 26% | 0.257 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 158 | 170.9 | -45.3 | -176.2 | 172.6 | -170.2 | 8.4 | 112.6 | F135 G137 D171 N172 Y189 | F135-R167 PolarHBondContact O-N 3.25Å; G137-R167 WeakPolarHBondContact CA-O 3.41Å; G137-R167 PolarHBondContact N-O 3.05Å; R167-D171 HydrophobicContact CB-CB 3.82Å; R167-D171 HydrophobicContact CG-CB 4.42Å; R167-D171 IonicContact NH1-OD1 3.2Å; R167-N172 WeakPolarHBondContact CB-OD1 3.45Å; R167-N172 WeakPolarHBondContact CG-OD1 3.16Å; R167-Y189 PolarHBondContact NH1-OH 2.94Å |
| 168 | G | 94.5 | Very high | 92.8 | Very high | 35 Ų | 35 | 61.6 Ų | 61.6 | 36% | 0.361 | 38% | 0.375 | S | S | . | . | trans | -78.9 | -170.5 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | A170 D171 N172 | G168-A170 PolarHBondContact O-N 3.39Å; G168-D171 PolarHBondContact O-N 2.9Å; G168-N172 PolarHBondContact O-N 2.81Å | ||
| 169 | V | 92.5 | Very high | 92.1 | Very high | 41 Ų | 41 | 60.6 Ų | 60.6 | 25% | 0.248 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -54.2 | -35.2 | -179.6 | -178.2 | 0 | 0 | 0 | 0 | 113.4 | F136 D139 D171 F173 | F136-V169 HydrophobicContact CE2-CG2 4.02Å; F136-V169 HydrophobicContact CZ-CG2 4.28Å; D139-V169 HydrophobicContact CB-CG2 3.32Å; D139-V169 WeakPolarHBondContact OD1-CG2 3.35Å; V169-D171 PolarHBondContact O-N 2.92Å; V169-F173 HydrophobicContact CB-CB 4.27Å; V169-F173 HydrophobicContact CG1-CB 3.85Å; V169-F173 HydrophobicContact CG1-CD1 4.37Å; V169-F173 HydrophobicContact CG1-CG 4.29Å; V169-F173 WeakPolarHBondContact O-CB 3.13Å; V169-F173 PolarHBondContact O-N 3.48Å |
| 170 | A | 91.3 | Very high | 91.6 | Very high | 102 Ų | 102 | 60.4 Ų | 60.4 | 84% | 0.843 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -63.5 | -30.6 | -177 | 0 | 0 | 0 | 0 | 0 | 113.4 | G168 | G168-A170 PolarHBondContact O-N 3.39Å |
| 171 | D | 93.7 | Very high | 91.3 | Very high | 72 Ų | 72 | 53.2 Ų | 53.2 | 39% | 0.385 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -108.5 | -45.8 | -176.7 | -57.2 | -64.7 | 0 | 0 | 0 | 111.8 | R167 G168 V169 | R167-D171 HydrophobicContact CB-CB 3.82Å; R167-D171 HydrophobicContact CG-CB 4.42Å; R167-D171 IonicContact NH1-OD1 3.2Å; G168-D171 PolarHBondContact O-N 2.9Å; V169-D171 PolarHBondContact O-N 2.92Å |
| 172 | N | 96.9 | Very high | 91.1 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -111.7 | 24.1 | -169.4 | -75.7 | 128.6 | 0 | 0 | 0 | 114.7 | S134 F135 F136 R167 G168 P184 C185 | S134-N172 WeakPolarHBondContact CB-OD1 3.43Å; S134-N172 PolarHBondContact OG-ND2 3.12Å; S134-N172 PolarHBondContact OG-OD1 3.03Å; S134-N172 VanDerWaalsContact OG-OD1 3.09Å; F135-N172 PolarHBondContact O-OD1 3.48Å; F136-N172 HydrophobicContact CB-CB 4Å; F136-N172 WeakPolarHBondContact CB-O 3.48Å; F136-N172 HydrophobicContact CD2-CB 4.07Å; F136-N172 WeakPolarHBondContact CD2-O 3.48Å; R167-N172 WeakPolarHBondContact CB-OD1 3.45Å; R167-N172 WeakPolarHBondContact CG-OD1 3.16Å; G168-N172 PolarHBondContact O-N 2.81Å; N172-P184 WeakPolarHBondContact O-CA 3.31Å; N172-C185 WeakPolarHBondContact CA-SG 3.46Å; N172-C185 WeakPolarHBondContact CB-O 3.39Å; N172-C185 PolarHBondContact ND2-O 3.41Å; N172-C185 VanDerWaalsContact ND2-O 3.11Å; N172-C185 PolarHBondContact O-N 2.88Å |
| 173 | F | 94.7 | Very high | 91 | Very high | 16 Ų | 16 | 41.3 Ų | 41.3 | 7% | 0.07 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 106.3 | 167.8 | -166.7 | -86.4 | 0 | 0 | 0 | 110.2 | F136 I144 V169 C182 Y208 L217 | F136-F173 HydrophobicContact CD2-CB 4.22Å; F136-F173 HydrophobicContact CE2-CB 3.88Å; F136-F173 HydrophobicContact CE2-CD2 4.14Å; F136-F173 HydrophobicContact CE2-CG 4.47Å; F136-F173 HydrophobicContact CZ-CD2 4.07Å; I144-F173 HydrophobicContact CD1-CD2 4.08Å; I144-F173 HydrophobicContact CD1-CE2 3.43Å; I144-F173 VanDerWaalsContact CD1-CE2 3.43Å; I144-F173 HydrophobicContact CD1-CZ 3.92Å; V169-F173 HydrophobicContact CB-CB 4.27Å; V169-F173 HydrophobicContact CG1-CB 3.85Å; V169-F173 HydrophobicContact CG1-CD1 4.37Å; V169-F173 HydrophobicContact CG1-CG 4.29Å; V169-F173 WeakPolarHBondContact O-CB 3.13Å; V169-F173 PolarHBondContact O-N 3.48Å; F173-C182 HydrophobicContact CE1-CB 4.07Å; F173-C182 HydrophobicContact CZ-CB 4.42Å; F173-Y208 HydrophobicContact CE2-CD2 4.4Å; F173-L217 HydrophobicContact CE1-CD1 4.49Å; F173-L217 HydrophobicContact CE2-CD1 4.41Å; F173-L217 HydrophobicContact CZ-CD1 3.72Å |
| 174 | W | 94.1 | Very high | 91 | Very high | 54 Ų | 54 | 39.9 Ų | 39.9 | 21% | 0.205 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 135.5 | -176.6 | -172.3 | 97.5 | 0 | 0 | 0 | 111 | A45 V47 L176 C182 G183 C185 V204 M206 | A45-W174 HydrophobicContact CB-CZ2 4.3Å; V47-W174 HydrophobicContact CG1-CH2 3.75Å; V47-W174 HydrophobicContact CG1-CZ2 4.42Å; W174-L176 HydrophobicContact CH2-CB 3.56Å; W174-L176 HydrophobicContact CH2-CD1 3.71Å; W174-L176 HydrophobicContact CH2-CG 4.15Å; W174-L176 HydrophobicContact CZ2-CB 4.4Å; W174-L176 HydrophobicContact CZ2-CD1 3.97Å; W174-L176 HydrophobicContact CZ3-CB 3.79Å; W174-C182 CarbonylContact O-C 3.6Å; W174-C182 WeakPolarHBondContact O-CA 3.26Å; W174-C182 WeakPolarHBondContact O-CB 3.38Å; W174-G183 PolarHBondContact N-O 3.11Å; W174-G183 PolarHBondContact O-N 2.99Å; W174-C185 HydrophobicContact CB-CB 4.49Å; W174-V204 HydrophobicContact CB-CB 4.32Å; W174-V204 HydrophobicContact CB-CG1 3.79Å; W174-V204 HydrophobicContact CB-CG2 3.52Å; W174-V204 HydrophobicContact CD2-CG1 4.43Å; W174-V204 HydrophobicContact CD2-CG2 4.06Å; W174-V204 HydrophobicContact CE3-CG1 4.18Å; W174-V204 HydrophobicContact CG-CG1 4.34Å; W174-V204 HydrophobicContact CG-CG2 3.62Å; W174-M206 HydrophobicContact CE3-CE 3.77Å; W174-M206 HydrophobicContact CH2-CE 3.95Å; W174-M206 HydrophobicContact CZ3-CE 3.29Å |
| 175 | Q | 88.5 | Confident | 91 | Very high | 70 Ų | 70 | 38.9 Ų | 38.9 | 33% | 0.327 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 143.8 | 170.8 | 60.3 | 175.1 | 51.1 | 0 | 0 | 110.8 | G177 C182 | Q175-G177 PolarHBondContact NE2-O 3Å; Q175-G177 PolarHBondContact O-N 3.49Å; Q175-C182 HydrophobicContact CB-CB 3.51Å |
| 176 | L | 77.7 | Confident | 91 | Very high | 9 Ų | 9 | 36.7 Ų | 36.7 | 5% | 0.047 | 23% | 0.227 | C | C | . | . | S | Bend | trans | -81.2 | 101.5 | 175.4 | -168.6 | 70.7 | 0 | 0 | 0 | 110.8 | A45 V48 K51 W174 S179 | A45-L176 HydrophobicContact CB-CD1 4.47Å; V48-L176 HydrophobicContact CG2-CD1 4.4Å; V48-L176 HydrophobicContact CG2-CD2 4.44Å; K51-L176 HydrophobicContact CD-CD2 4.37Å; W174-L176 HydrophobicContact CH2-CB 3.56Å; W174-L176 HydrophobicContact CH2-CD1 3.71Å; W174-L176 HydrophobicContact CH2-CG 4.15Å; W174-L176 HydrophobicContact CZ2-CB 4.4Å; W174-L176 HydrophobicContact CZ2-CD1 3.97Å; W174-L176 HydrophobicContact CZ3-CB 3.79Å; L176-S179 VanDerWaalsContact O-O 3.04Å |
| 177 | G | 77.4 | Confident | 91.1 | Very high | 39 Ų | 39 | 34.3 Ų | 34.3 | 40% | 0.402 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 62.9 | -137.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q175 | Q175-G177 PolarHBondContact NE2-O 3Å; Q175-G177 PolarHBondContact O-N 3.49Å |
| 178 | H | 78.7 | Confident | 91.2 | Very high | 140 Ų | 140 | 31 Ų | 31 | 65% | 0.648 | 19% | 0.193 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -97.7 | -10 | -178.1 | -58.2 | -70.7 | 0 | 0 | 0 | 114.1 | R210 P213 | H178-R210 WeakPolarHBondContact O-CD 3.32Å; H178-P213 HydrophobicContact CB-CB 4.11Å; H178-P213 HydrophobicContact CB-CG 3.97Å; H178-P213 WeakPolarHBondContact O-CA 3.37Å |
| 179 | S | 82.2 | Confident | 91.3 | Very high | 39 Ų | 39 | 30.2 Ų | 30.2 | 27% | 0.273 | 18% | 0.179 | S | C | . | . | S | Bend | trans | -155.3 | 140 | -177.9 | 59 | 0 | 0 | 0 | 0 | 110 | L176 R210 | L176-S179 VanDerWaalsContact O-O 3.04Å; S179-R210 CarbonylContact C-O 3.47Å; S179-R210 VanDerWaalsContact CA-O 3.26Å; S179-R210 WeakPolarHBondContact CA-O 3.26Å; S179-R210 WeakPolarHBondContact CB-O 3.13Å |
| 180 | G | 86 | Confident | 91.6 | Very high | 11 Ų | 11 | 29.1 Ų | 29.1 | 11% | 0.113 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 139.4 | -176.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | H209 R210 | G180-H209 VanDerWaalsContact C-ND1 3.32Å; G180-H209 WeakPolarHBondContact O-CA 3.05Å; G180-R210 PolarHBondContact N-O 3.28Å; G180-R210 PolarHBondContact O-N 3.4Å |
| 181 | P | 89.9 | Confident | 91.8 | Very high | 5 Ų | 5 | 30.1 Ų | 30.1 | 3% | 0.032 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -56 | 139 | 170.7 | -23.9 | 35.2 | 0 | 0 | 0 | 111.9 | L54 L55 M206 Y208 L220 | L54-P181 HydrophobicContact CB-CB 4.38Å; L54-P181 HydrophobicContact CB-CG 3.81Å; L54-P181 HydrophobicContact CD1-CB 3.95Å; L54-P181 HydrophobicContact CD1-CG 3.9Å; L55-P181 HydrophobicContact CD2-CG 4.09Å; P181-M206 HydrophobicContact CB-SD 4.1Å; P181-Y208 CarbonylContact C-O 3.6Å; P181-Y208 WeakPolarHBondContact CA-O 3.45Å; P181-L220 HydrophobicContact CB-CD1 4.45Å |
| 182 | C | 92.6 | Very high | 91.8 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.7 | 167.5 | -175.1 | 57.4 | 0 | 0 | 0 | 0 | 111.3 | F173 W174 Q175 D207 Y208 L217 | F173-C182 HydrophobicContact CE1-CB 4.07Å; F173-C182 HydrophobicContact CZ-CB 4.42Å; W174-C182 CarbonylContact O-C 3.6Å; W174-C182 WeakPolarHBondContact O-CA 3.26Å; W174-C182 WeakPolarHBondContact O-CB 3.38Å; Q175-C182 HydrophobicContact CB-CB 3.51Å; C182-D207 PolarHBondContact O-N 3.5Å; C182-Y208 PolarHBondContact N-O 3.12Å; C182-Y208 CarbonylContact O-C 3.55Å; C182-Y208 WeakPolarHBondContact O-CA 3.43Å; C182-Y208 PolarHBondContact O-N 2.98Å; C182-L217 VanDerWaalsContact SG-CD2 3.55Å |
| 183 | G | 94.4 | Very high | 91.4 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 173.1 | 176.9 | 173.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | W174 F205 | W174-G183 PolarHBondContact N-O 3.11Å; W174-G183 PolarHBondContact O-N 2.99Å; G183-F205 WeakPolarHBondContact CA-O 3.37Å |
| 184 | P | 96.1 | Very high | 91.1 | Very high | 8 Ų | 8 | 34.7 Ų | 34.7 | 5% | 0.052 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.6 | 149 | 173.3 | 28 | -35.4 | 0 | 0 | 0 | 110.4 | F136 N172 F205 | F136-P184 HydrophobicContact CB-CB 3.67Å; F136-P184 HydrophobicContact CD1-CB 3.76Å; F136-P184 HydrophobicContact CG-CB 3.79Å; N172-P184 WeakPolarHBondContact O-CA 3.31Å; P184-F205 WeakPolarHBondContact CD-O 3.26Å; P184-F205 PolarHBondContact O-N 3.15Å |
| 185 | C | 97.6 | Very high | 91 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 166.2 | 176.6 | 71.2 | 0 | 0 | 0 | 0 | 112.2 | F136 N172 W174 N202 I203 V204 | F136-C185 PolarHBondContact N-O 3.17Å; N172-C185 WeakPolarHBondContact CA-SG 3.46Å; N172-C185 WeakPolarHBondContact CB-O 3.39Å; N172-C185 PolarHBondContact ND2-O 3.41Å; N172-C185 VanDerWaalsContact ND2-O 3.11Å; N172-C185 PolarHBondContact O-N 2.88Å; W174-C185 HydrophobicContact CB-CB 4.49Å; C185-N202 VanDerWaalsContact CB-OD1 3.24Å; C185-N202 WeakPolarHBondContact CB-OD1 3.4Å; C185-N202 PolarHBondContact SG-OD1 2.95Å; C185-I203 CarbonylContact C-O 3.6Å; C185-I203 WeakPolarHBondContact CA-O 3.23Å; C185-I203 WeakPolarHBondContact CB-O 3.11Å; C185-V204 HydrophobicContact CB-CB 4.17Å; C185-V204 HydrophobicContact CB-CG1 4.41Å; C185-V204 HydrophobicContact CB-CG2 3.87Å |
| 186 | T | 98.6 | Very high | 91.2 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 142 | 169.3 | 178.2 | 0 | 0 | 0 | 0 | 108.8 | S134 T150 W154 I203 F205 | S134-T186 VanDerWaalsContact O-CA 3.23Å; S134-T186 WeakPolarHBondContact O-CA 3.36Å; S134-T186 WeakPolarHBondContact O-CB 3.3Å; S134-T186 PolarHBondContact O-OG1 3.46Å; T150-T186 HydrophobicContact CG2-CG2 3.85Å; W154-T186 HydrophobicContact CZ2-CG2 4.14Å; W154-T186 PolarHBondContact NE1-OG1 3.4Å; T186-I203 HydrophobicContact CG2-CB 3.76Å; T186-I203 HydrophobicContact CG2-CD1 4.28Å; T186-I203 HydrophobicContact CG2-CG1 4.47Å; T186-I203 HydrophobicContact CG2-CG2 4.26Å; T186-I203 PolarHBondContact N-O 3.32Å; T186-I203 PolarHBondContact O-N 3Å; T186-F205 HydrophobicContact CG2-CE2 3.87Å; T186-F205 HydrophobicContact CG2-CZ 3.88Å |
| 187 | E | 98.5 | Very high | 92 | Very high | 11 Ų | 11 | 37 Ų | 37 | 5% | 0.051 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 141.6 | -179.3 | -55.8 | 167.1 | 132.9 | 0 | 0 | 110.1 | V133 S134 Y189 E199 W201 N202 | V133-E187 CarbonylContact C-O 3.57Å; V133-E187 WeakPolarHBondContact CA-O 3.23Å; S134-E187 PolarHBondContact N-O 2.97Å; S134-E187 PolarHBondContact O-N 2.76Å; S134-E187 WeakPolarHBondContact OG-CB 3.35Å; S134-E187 PolarHBondContact OG-N 2.96Å; S134-E187 PolarHBondContact OG-OE2 3.28Å; E187-Y189 HydrophobicContact CB-CD2 4.23Å; E187-Y189 HydrophobicContact CB-CE2 3.56Å; E187-Y189 WeakPolarHBondContact OE2-CE2 3.41Å; E187-Y189 VanDerWaalsContact OE2-CZ 3.3Å; E187-Y189 PolarHBondContact OE2-OH 3.37Å; E187-E199 HydrophobicContact CB-CG 4.29Å; E187-W201 CarbonylContact C-O 3.55Å; E187-W201 VanDerWaalsContact CA-O 3.23Å; E187-W201 WeakPolarHBondContact CA-O 3.42Å; E187-N202 HydrophobicContact CG-CB 4.3Å |
| 188 | I | 98.7 | Very high | 92.8 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 123.3 | 175.2 | -49.7 | 177.8 | 0 | 0 | 0 | 108.2 | A116 L120 L131 V133 W154 L200 W201 I203 | A116-I188 HydrophobicContact CB-CD1 3.97Å; L120-I188 HydrophobicContact CD1-CB 4.38Å; L120-I188 HydrophobicContact CD1-CD1 3.84Å; L120-I188 HydrophobicContact CD1-CG2 3.76Å; L131-I188 HydrophobicContact CD2-CG2 4.16Å; V133-I188 HydrophobicContact CG1-CB 4.49Å; V133-I188 HydrophobicContact CG1-CG1 4.12Å; V133-I188 HydrophobicContact CG1-CG2 4.34Å; W154-I188 HydrophobicContact CH2-CD1 3.83Å; W154-I188 HydrophobicContact CH2-CG1 4.15Å; W154-I188 HydrophobicContact CZ2-CD1 4.37Å; W154-I188 HydrophobicContact CZ2-CG1 4.27Å; I188-L200 PolarHBondContact O-N 3.03Å; I188-W201 HydrophobicContact CB-CB 4.22Å; I188-W201 HydrophobicContact CD1-CB 4.33Å; I188-W201 HydrophobicContact CD1-CE3 4.38Å; I188-W201 HydrophobicContact CG1-CB 4.39Å; I188-W201 PolarHBondContact N-O 2.95Å; I188-W201 PolarHBondContact O-N 3.4Å; I188-I203 HydrophobicContact CD1-CD1 4.29Å |
| 189 | Y | 98.3 | Very high | 93.7 | Very high | 18 Ų | 18 | 32.3 Ų | 32.3 | 7% | 0.071 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 145.7 | -179.9 | -67.7 | -98.1 | 0 | 0 | 0 | 111.2 | L131 M132 R167 E187 A197 V198 E199 | L131-Y189 WeakPolarHBondContact CA-O 3.24Å; M132-Y189 HydrophobicContact CG-CG 4.35Å; M132-Y189 PolarHBondContact N-O 3.33Å; M132-Y189 PolarHBondContact O-N 3.26Å; R167-Y189 PolarHBondContact NH1-OH 2.94Å; E187-Y189 HydrophobicContact CB-CD2 4.23Å; E187-Y189 HydrophobicContact CB-CE2 3.56Å; E187-Y189 WeakPolarHBondContact OE2-CE2 3.41Å; E187-Y189 VanDerWaalsContact OE2-CZ 3.3Å; E187-Y189 PolarHBondContact OE2-OH 3.37Å; Y189-A197 HydrophobicContact CD1-CB 3.98Å; Y189-V198 CarbonylContact C-O 3.58Å; Y189-V198 VanDerWaalsContact CA-O 3.3Å; Y189-V198 WeakPolarHBondContact CA-O 3.39Å; Y189-E199 HydrophobicContact CD1-CB 3.9Å; Y189-E199 HydrophobicContact CE1-CB 3.6Å; Y189-E199 HydrophobicContact CE1-CG 4.26Å |
| 190 | F | 97.8 | Very high | 94.4 | Very high | 17 Ų | 17 | 30.5 Ų | 30.5 | 8% | 0.075 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 127.3 | 168 | 175.7 | -99.3 | 0 | 0 | 0 | 111 | I126 R130 L131 A192 V198 L200 V237 | I126-F190 HydrophobicContact CG2-CD2 3.9Å; I126-F190 HydrophobicContact CG2-CE2 3.96Å; R130-F190 HydrophobicContact CB-CD2 3.9Å; R130-F190 HydrophobicContact CB-CE2 3.7Å; R130-F190 HydrophobicContact CG-CE2 4.38Å; R130-F190 VanDerWaalsContact NE-CZ 3.33Å; R130-F190 CarbonylContact O-C 3.58Å; R130-F190 WeakPolarHBondContact O-CA 3.37Å; L131-F190 HydrophobicContact CD2-CB 4.49Å; L131-F190 HydrophobicContact CD2-CD2 4.44Å; F190-A192 PolarHBondContact O-N 2.95Å; F190-V198 PolarHBondContact N-O 2.79Å; F190-V198 PolarHBondContact O-N 2.96Å; F190-L200 HydrophobicContact CB-CD1 3.71Å; F190-L200 HydrophobicContact CB-CD2 4.36Å; F190-L200 HydrophobicContact CB-CG 3.89Å; F190-V237 HydrophobicContact CB-CG2 4.27Å; F190-V237 HydrophobicContact CD1-CG1 4.37Å; F190-V237 HydrophobicContact CD1-CG2 3.51Å; F190-V237 HydrophobicContact CD2-CG1 3.92Å; F190-V237 HydrophobicContact CD2-CG2 4.34Å; F190-V237 HydrophobicContact CE1-CB 4.48Å; F190-V237 HydrophobicContact CE1-CG1 4.13Å; F190-V237 HydrophobicContact CE1-CG2 3.76Å; F190-V237 HydrophobicContact CE2-CG1 3.66Å; F190-V237 HydrophobicContact CG-CG1 4.24Å; F190-V237 HydrophobicContact CG-CG2 3.8Å; F190-V237 HydrophobicContact CZ-CG1 3.74Å; F190-V237 HydrophobicContact CZ-CG2 4.24Å |
| 191 | R | 96.5 | Very high | 95 | Very high | 123 Ų | 123 | 30.1 Ų | 30.1 | 46% | 0.464 | 18% | 0.184 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 107.5 | 173.6 | -175.4 | 166.8 | 49.1 | 148 | -1.9 | 110.3 | E129 R130 M132 R196 | E129-R191 PolarHBondContact O-NH2 3.41Å; R130-R191 VanDerWaalsContact CZ-O 3.25Å; R130-R191 PolarHBondContact NE-O 3.49Å; R130-R191 PolarHBondContact NH2-O 3.47Å; R130-R191 PolarHBondContact O-N 2.93Å; M132-R191 HydrophobicContact CE-CB 3.94Å; M132-R191 HydrophobicContact CE-CG 4.42Å; R191-R196 CarbonylContact C-O 3.57Å; R191-R196 WeakPolarHBondContact CA-O 3.25Å |
| 192 | A | 93.1 | Very high | 95.4 | Very high | 14 Ų | 14 | 30.8 Ų | 30.8 | 12% | 0.116 | 19% | 0.187 | C | C | . | . | trans | -64.3 | 165.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | R130 F190 D194 G195 R196 | R130-A192 VanDerWaalsContact NH2-CA 3.29Å; F190-A192 PolarHBondContact O-N 2.95Å; A192-D194 VanDerWaalsContact CB-OD1 3.31Å; A192-D194 WeakPolarHBondContact CB-OD1 3.47Å; A192-D194 PolarHBondContact O-N 3.48Å; A192-G195 PolarHBondContact O-N 3.05Å; A192-R196 HydrophobicContact CB-CB 4.21Å; A192-R196 WeakPolarHBondContact CB-O 3.44Å; A192-R196 PolarHBondContact N-O 3.23Å | ||
| 193 | G | 88.1 | Confident | 95.7 | Very high | 79 Ų | 79 | 30.8 Ų | 30.8 | 81% | 0.814 | 19% | 0.187 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.7 | -24.5 | -174.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | G195 | G193-G195 VanDerWaalsContact C-N 3.32Š|
| 194 | D | 89.1 | Confident | 95.8 | Very high | 92 Ų | 92 | 30.9 Ų | 30.9 | 49% | 0.492 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.1 | 6.4 | 175.4 | 60.4 | 10.1 | 0 | 0 | 0 | 113.4 | A192 R196 | A192-D194 VanDerWaalsContact CB-OD1 3.31Å; A192-D194 WeakPolarHBondContact CB-OD1 3.47Å; A192-D194 PolarHBondContact O-N 3.48Å; D194-R196 VanDerWaalsContact CG-NE 3.32Å; D194-R196 WeakPolarHBondContact OD1-CB 3.34Å; D194-R196 WeakPolarHBondContact OD1-CG 3.47Å; D194-R196 IonicContact OD1-CZ 3.37Å; D194-R196 PolarHBondContact OD1-N 2.91Å; D194-R196 VanDerWaalsContact OD1-N 3.09Å; D194-R196 IonicContact OD1-NE 3.69Å; D194-R196 PolarHBondContact OD1-NE 3.01Å; D194-R196 IonicContact OD1-NH2 3.03Å; D194-R196 IonicContact OD2-CZ 3.89Å; D194-R196 IonicContact OD2-NE 3.23Å; D194-R196 PolarHBondContact OD2-NE 2.77Å; D194-R196 IonicContact OD2-NH2 2.73Å; D194-R196 PolarHBondContact OD2-NH2 3.04Å |
| 195 | G | 90.6 | Very high | 95.9 | Very high | 52 Ų | 52 | 30.6 Ų | 30.6 | 54% | 0.536 | 19% | 0.186 | S | C | . | . | S | Bend | trans | 87.8 | -7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | A192 G193 | A192-G195 PolarHBondContact O-N 3.05Å; G193-G195 VanDerWaalsContact C-N 3.32Å |
| 196 | R | 92.6 | Very high | 95.7 | Very high | 77 Ų | 77 | 30.6 Ų | 30.6 | 29% | 0.291 | 19% | 0.186 | S | C | . | . | trans | -61.9 | 140.8 | 175 | -69.6 | -178.5 | -68.7 | 130 | 0.8 | 111.4 | R89 R191 A192 D194 | R89-R196 VanDerWaalsContact CD-NH1 3.27Å; R191-R196 CarbonylContact C-O 3.57Å; R191-R196 WeakPolarHBondContact CA-O 3.25Å; A192-R196 HydrophobicContact CB-CB 4.21Å; A192-R196 WeakPolarHBondContact CB-O 3.44Å; A192-R196 PolarHBondContact N-O 3.23Å; D194-R196 VanDerWaalsContact CG-NE 3.32Å; D194-R196 WeakPolarHBondContact OD1-CB 3.34Å; D194-R196 WeakPolarHBondContact OD1-CG 3.47Å; D194-R196 IonicContact OD1-CZ 3.37Å; D194-R196 PolarHBondContact OD1-N 2.91Å; D194-R196 VanDerWaalsContact OD1-N 3.09Å; D194-R196 IonicContact OD1-NE 3.69Å; D194-R196 PolarHBondContact OD1-NE 3.01Å; D194-R196 IonicContact OD1-NH2 3.03Å; D194-R196 IonicContact OD2-CZ 3.89Å; D194-R196 IonicContact OD2-NE 3.23Å; D194-R196 PolarHBondContact OD2-NE 2.77Å; D194-R196 IonicContact OD2-NH2 2.73Å; D194-R196 PolarHBondContact OD2-NH2 3.04Å | ||
| 197 | A | 94.4 | Very high | 95.3 | Very high | 52 Ų | 52 | 31.7 Ų | 31.7 | 43% | 0.43 | 19% | 0.192 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 122.3 | 170 | 0 | 0 | 0 | 0 | 0 | 109.8 | M132 Y189 | M132-A197 HydrophobicContact SD-CB 4.41Å; Y189-A197 HydrophobicContact CD1-CB 3.98Å |
| 198 | V | 95.4 | Very high | 95 | Very high | 34 Ų | 34 | 33.3 Ų | 33.3 | 21% | 0.206 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 112 | 176.9 | -179.5 | 0 | 0 | 0 | 0 | 108.2 | Y189 F190 L200 R233 | Y189-V198 CarbonylContact C-O 3.58Å; Y189-V198 VanDerWaalsContact CA-O 3.3Å; Y189-V198 WeakPolarHBondContact CA-O 3.39Å; F190-V198 PolarHBondContact N-O 2.79Å; F190-V198 PolarHBondContact O-N 2.96Å; V198-L200 HydrophobicContact CG1-CD2 4.26Å; V198-L200 PolarHBondContact O-N 3.39Å; V198-L200 VanDerWaalsContact O-N 3.16Å; V198-R233 HydrophobicContact CG1-CB 4.14Å; V198-R233 HydrophobicContact CG1-CG 4.22Å |
| 199 | E | 96.5 | Very high | 94.6 | Very high | 47 Ų | 47 | 35.4 Ų | 35.4 | 22% | 0.22 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.2 | 115.3 | 171 | -176.4 | -142.5 | 144.8 | 0 | 0 | 108.9 | E187 Y189 R233 | E187-E199 HydrophobicContact CB-CG 4.29Å; Y189-E199 HydrophobicContact CD1-CB 3.9Å; Y189-E199 HydrophobicContact CE1-CB 3.6Å; Y189-E199 HydrophobicContact CE1-CG 4.26Å; E199-R233 WeakPolarHBondContact O-CD 3.25Å; E199-R233 PolarHBondContact O-NH1 3.34Å; E199-R233 IonicContact OE2-NH1 3.87Å; E199-R233 PolarHBondContact OE2-NH1 3.07Å |
| 200 | L | 98.2 | Very high | 94.2 | Very high | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.005 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | -50.4 | 176.8 | -67.2 | -173.9 | 0 | 0 | 0 | 110.7 | I126 L131 I188 F190 V198 L229 G230 R233 V237 | I126-L200 HydrophobicContact CD1-CD1 4.29Å; L131-L200 HydrophobicContact CD2-CD1 4.39Å; I188-L200 PolarHBondContact O-N 3.03Å; F190-L200 HydrophobicContact CB-CD1 3.71Å; F190-L200 HydrophobicContact CB-CD2 4.36Å; F190-L200 HydrophobicContact CB-CG 3.89Å; V198-L200 HydrophobicContact CG1-CD2 4.26Å; V198-L200 PolarHBondContact O-N 3.39Å; V198-L200 VanDerWaalsContact O-N 3.16Å; L200-L229 HydrophobicContact CB-CD1 4Å; L200-L229 CarbonylContact O-C 3.6Å; L200-L229 VanDerWaalsContact O-CA 3.26Å; L200-L229 WeakPolarHBondContact O-CA 3.19Å; L200-L229 WeakPolarHBondContact O-CD1 3.36Å; L200-G230 PolarHBondContact O-N 3.31Å; L200-R233 HydrophobicContact CD2-CB 4.04Å; L200-V237 HydrophobicContact CD2-CG2 4.01Å |
| 201 | W | 98.5 | Very high | 93.6 | Very high | 2 Ų | 2 | 37.1 Ų | 37.1 | 1% | 0.008 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 125.2 | -167.2 | -153.9 | -19.5 | 0 | 0 | 0 | 111.1 | F14 F18 N100 A116 L119 L120 E187 I188 I203 T227 G228 L229 | F14-W201 AromaticContact CE2-CH2 3.91Å; F14-W201 HydrophobicContact CE2-CH2 3.91Å; F14-W201 AromaticContact CE2-CZ2 3.81Å; F14-W201 HydrophobicContact CE2-CZ2 3.81Å; F14-W201 HydrophobicContact CZ-CZ2 4.28Å; F18-W201 AromaticContact CE2-CH2 3.97Å; F18-W201 HydrophobicContact CE2-CH2 3.97Å; F18-W201 HydrophobicContact CE2-CZ2 4.19Å; F18-W201 AromaticContact CZ-CH2 3.79Å; F18-W201 HydrophobicContact CZ-CH2 3.79Å; F18-W201 AromaticContact CZ-CZ2 3.97Å; F18-W201 HydrophobicContact CZ-CZ2 3.97Å; N100-W201 VanDerWaalsContact OD1-CZ2 3.32Å; N100-W201 WeakPolarHBondContact OD1-CZ2 3.41Å; A116-W201 VanDerWaalsContact CA-CZ3 3.45Å; A116-W201 HydrophobicContact CB-CD2 4.26Å; A116-W201 HydrophobicContact CB-CE3 3.78Å; A116-W201 HydrophobicContact CB-CH2 3.86Å; A116-W201 HydrophobicContact CB-CZ2 4.34Å; A116-W201 HydrophobicContact CB-CZ3 3.57Å; L119-W201 HydrophobicContact CB-CZ3 4.43Å; L119-W201 HydrophobicContact CD2-CH2 3.71Å; L119-W201 HydrophobicContact CD2-CZ3 3.94Å; L120-W201 HydrophobicContact CD1-CE3 4.09Å; L120-W201 HydrophobicContact CD2-CE3 4.33Å; L120-W201 HydrophobicContact CG-CE3 4.13Å; L120-W201 HydrophobicContact CG-CZ3 4.22Å; E187-W201 CarbonylContact C-O 3.55Å; E187-W201 VanDerWaalsContact CA-O 3.23Å; E187-W201 WeakPolarHBondContact CA-O 3.42Å; I188-W201 HydrophobicContact CB-CB 4.22Å; I188-W201 HydrophobicContact CD1-CB 4.33Å; I188-W201 HydrophobicContact CD1-CE3 4.38Å; I188-W201 HydrophobicContact CG1-CB 4.39Å; I188-W201 PolarHBondContact N-O 2.95Å; I188-W201 PolarHBondContact O-N 3.4Å; W201-I203 HydrophobicContact CG-CG1 4.45Å; W201-T227 PolarHBondContact NE1-OG1 3.45Å; W201-G228 WeakPolarHBondContact CA-O 3.38Å; W201-L229 HydrophobicContact CB-CB 4.26Å; W201-L229 HydrophobicContact CB-CD1 4.11Å; W201-L229 HydrophobicContact CD2-CB 3.84Å; W201-L229 HydrophobicContact CD2-CD1 4.45Å; W201-L229 HydrophobicContact CD2-CD2 4.11Å; W201-L229 HydrophobicContact CD2-CG 4.36Å; W201-L229 HydrophobicContact CE3-CD2 3.98Å; W201-L229 HydrophobicContact CG-CB 3.7Å; W201-L229 HydrophobicContact CG-CD1 4.32Å; W201-L229 HydrophobicContact CG-CG 4.45Å; W201-L229 HydrophobicContact CH2-CD2 4.41Å; W201-L229 HydrophobicContact CZ2-CD2 4.49Å; W201-L229 HydrophobicContact CZ3-CD2 4.14Å |
| 202 | N | 98.2 | Very high | 93.1 | Very high | 19 Ų | 19 | 36.8 Ų | 36.8 | 10% | 0.102 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 129.5 | 168 | -166.5 | -19.8 | 0 | 0 | 0 | 109.8 | C185 E187 T227 G228 | C185-N202 VanDerWaalsContact CB-OD1 3.24Å; C185-N202 WeakPolarHBondContact CB-OD1 3.4Å; C185-N202 PolarHBondContact SG-OD1 2.95Å; E187-N202 HydrophobicContact CG-CB 4.3Å; N202-T227 CarbonylContact O-C 3.55Å; N202-T227 VanDerWaalsContact O-CA 3.23Å; N202-T227 WeakPolarHBondContact O-CA 3.41Å; N202-G228 PolarHBondContact N-O 3.36Å; N202-G228 PolarHBondContact O-N 3.27Å |
| 203 | I | 98.5 | Very high | 92.6 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 106.8 | 179.2 | -55.8 | 172.6 | 0 | 0 | 0 | 107.4 | V112 A116 W154 C185 T186 I188 W201 F205 I225 T227 | V112-I203 HydrophobicContact CG1-CG2 4.02Å; A116-I203 HydrophobicContact CB-CD1 3.77Å; W154-I203 HydrophobicContact CZ2-CD1 4.45Å; C185-I203 CarbonylContact C-O 3.6Å; C185-I203 WeakPolarHBondContact CA-O 3.23Å; C185-I203 WeakPolarHBondContact CB-O 3.11Å; T186-I203 HydrophobicContact CG2-CB 3.76Å; T186-I203 HydrophobicContact CG2-CD1 4.28Å; T186-I203 HydrophobicContact CG2-CG1 4.47Å; T186-I203 HydrophobicContact CG2-CG2 4.26Å; T186-I203 PolarHBondContact N-O 3.32Å; T186-I203 PolarHBondContact O-N 3Å; I188-I203 HydrophobicContact CD1-CD1 4.29Å; W201-I203 HydrophobicContact CG-CG1 4.45Å; I203-F205 HydrophobicContact CG2-CE1 3.77Å; I203-F205 HydrophobicContact CG2-CZ 3.88Å; I203-I225 HydrophobicContact CG2-CG2 4.26Å; I203-T227 HydrophobicContact CB-CG2 4.38Å; I203-T227 HydrophobicContact CG1-CG2 4.19Å; I203-T227 HydrophobicContact CG2-CG2 4.08Å |
| 204 | V | 97.6 | Very high | 92.3 | Very high | 3 Ų | 3 | 43.1 Ų | 43.1 | 2% | 0.018 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 128.9 | -174.6 | -173.9 | 0 | 0 | 0 | 0 | 110.2 | W174 C185 M206 I225 D226 | W174-V204 HydrophobicContact CB-CB 4.32Å; W174-V204 HydrophobicContact CB-CG1 3.79Å; W174-V204 HydrophobicContact CB-CG2 3.52Å; W174-V204 HydrophobicContact CD2-CG1 4.43Å; W174-V204 HydrophobicContact CD2-CG2 4.06Å; W174-V204 HydrophobicContact CE3-CG1 4.18Å; W174-V204 HydrophobicContact CG-CG1 4.34Å; W174-V204 HydrophobicContact CG-CG2 3.62Å; C185-V204 HydrophobicContact CB-CB 4.17Å; C185-V204 HydrophobicContact CB-CG1 4.41Å; C185-V204 HydrophobicContact CB-CG2 3.87Å; V204-M206 HydrophobicContact CG1-CE 4.34Å; V204-M206 HydrophobicContact CG1-CG 3.83Å; V204-I225 WeakPolarHBondContact O-CA 3.43Å; V204-D226 HydrophobicContact CB-CB 4.3Å; V204-D226 PolarHBondContact N-O 2.73Å; V204-D226 PolarHBondContact O-N 3.39Å |
| 205 | F | 96.5 | Very high | 92.2 | Very high | 1 Ų | 1 | 40.1 Ų | 40.1 | 0% | 0.004 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 90.9 | 172.3 | -49.8 | -61.1 | 0 | 0 | 0 | 108.5 | K109 T150 G183 P184 T186 I203 D207 I225 | K109-F205 HydrophobicContact CB-CD1 4.29Å; K109-F205 HydrophobicContact CB-CE1 3.71Å; K109-F205 HydrophobicContact CB-CZ 3.88Å; K109-F205 HydrophobicContact CD-CD1 3.96Å; K109-F205 HydrophobicContact CD-CD2 3.8Å; K109-F205 HydrophobicContact CD-CE1 4Å; K109-F205 HydrophobicContact CD-CE2 3.84Å; K109-F205 HydrophobicContact CD-CG 3.85Å; K109-F205 HydrophobicContact CD-CZ 3.93Å; K109-F205 HydrophobicContact CG-CD1 3.62Å; K109-F205 HydrophobicContact CG-CD2 4.38Å; K109-F205 HydrophobicContact CG-CE1 3.57Å; K109-F205 HydrophobicContact CG-CE2 4.34Å; K109-F205 HydrophobicContact CG-CG 4.04Å; K109-F205 HydrophobicContact CG-CZ 3.94Å; T150-F205 HydrophobicContact CG2-CE2 4.09Å; T150-F205 VanDerWaalsContact OG1-CE2 3.27Å; T150-F205 WeakPolarHBondContact OG1-CE2 3.42Å; G183-F205 WeakPolarHBondContact CA-O 3.37Å; P184-F205 WeakPolarHBondContact CD-O 3.26Å; P184-F205 PolarHBondContact O-N 3.15Å; T186-F205 HydrophobicContact CG2-CE2 3.87Å; T186-F205 HydrophobicContact CG2-CZ 3.88Å; I203-F205 HydrophobicContact CG2-CE1 3.77Å; I203-F205 HydrophobicContact CG2-CZ 3.88Å; F205-D207 PolarHBondContact O-N 2.95Å; F205-I225 HydrophobicContact CD1-CG1 4.27Å |
| 206 | M | 93.5 | Very high | 92 | Very high | 1 Ų | 1 | 44.6 Ų | 44.6 | 1% | 0.005 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 92.9 | -177.1 | -65 | -177.4 | 169.2 | 0 | 0 | 110.5 | V47 L54 W174 P181 V204 L220 H224 D226 | V47-M206 HydrophobicContact CG1-CE 4.25Å; V47-M206 HydrophobicContact CG2-CE 4.02Å; V47-M206 HydrophobicContact CG2-SD 4.36Å; L54-M206 HydrophobicContact CD1-CE 4.45Å; L54-M206 HydrophobicContact CD1-SD 3.58Å; L54-M206 VanDerWaalsContact CD1-SD 3.58Å; L54-M206 HydrophobicContact CD2-SD 4.28Å; W174-M206 HydrophobicContact CE3-CE 3.77Å; W174-M206 HydrophobicContact CH2-CE 3.95Å; W174-M206 HydrophobicContact CZ3-CE 3.29Å; P181-M206 HydrophobicContact CB-SD 4.1Å; V204-M206 HydrophobicContact CG1-CE 4.34Å; V204-M206 HydrophobicContact CG1-CG 3.83Å; M206-L220 HydrophobicContact CB-CD1 4.36Å; M206-H224 HydrophobicContact CB-CB 4.16Å; M206-H224 WeakPolarHBondContact CB-O 3.39Å; M206-H224 PolarHBondContact N-O 3.42Å; M206-H224 PolarHBondContact O-N 3.45Å; M206-D226 HydrophobicContact CE-CB 3.47Å; M206-D226 VanDerWaalsContact CE-CB 3.47Å; M206-D226 VanDerWaalsContact CE-OD2 3.25Å; M206-D226 WeakPolarHBondContact CE-OD2 3.41Å; M206-D226 HydrophobicContact SD-CB 4.02Å |
| 207 | D | 91.3 | Very high | 91.9 | Very high | 23 Ų | 23 | 42.5 Ų | 42.5 | 12% | 0.123 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | -11.9 | 176.3 | -70.5 | -27.9 | 0 | 0 | 0 | 113 | C182 F205 R219 L220 S223 | C182-D207 PolarHBondContact O-N 3.5Å; F205-D207 PolarHBondContact O-N 2.95Å; D207-R219 WeakPolarHBondContact O-CA 3.32Å; D207-R219 WeakPolarHBondContact O-CG 3.3Å; D207-L220 PolarHBondContact O-N 2.91Å; D207-S223 WeakPolarHBondContact OD1-CB 3.48Å; D207-S223 PolarHBondContact OD1-OG 2.84Å |
| 208 | Y | 91.9 | Very high | 91.7 | Very high | 44 Ų | 44 | 43.8 Ų | 43.8 | 17% | 0.173 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 161.9 | -171.9 | -55.7 | -83.4 | 0 | 0 | 0 | 112.2 | I144 F173 P181 C182 L217 V218 L220 | I144-Y208 HydrophobicContact CG2-CE2 4.44Å; F173-Y208 HydrophobicContact CE2-CD2 4.4Å; P181-Y208 CarbonylContact C-O 3.6Å; P181-Y208 WeakPolarHBondContact CA-O 3.45Å; C182-Y208 PolarHBondContact N-O 3.12Å; C182-Y208 CarbonylContact O-C 3.55Å; C182-Y208 WeakPolarHBondContact O-CA 3.43Å; C182-Y208 PolarHBondContact O-N 2.98Å; Y208-L217 HydrophobicContact CD1-CB 4.16Å; Y208-L217 HydrophobicContact CG-CD1 4.37Å; Y208-V218 CarbonylContact C-O 3.45Å; Y208-V218 VanDerWaalsContact CA-O 3.29Å; Y208-V218 WeakPolarHBondContact CA-O 3.47Å; Y208-L220 WeakPolarHBondContact O-CD1 3.33Å |
| 209 | H | 89.8 | Confident | 91.5 | Very high | 45 Ų | 45 | 50.4 Ų | 50.4 | 21% | 0.208 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 135.9 | 172.2 | 178.7 | 78.5 | 0 | 0 | 0 | 109.1 | G180 P211 V218 L220 | G180-H209 VanDerWaalsContact C-ND1 3.32Å; G180-H209 WeakPolarHBondContact O-CA 3.05Å; H209-P211 WeakPolarHBondContact O-CD 3.15Å; H209-V218 PolarHBondContact N-O 2.97Å; H209-V218 PolarHBondContact O-N 2.82Å; H209-L220 HydrophobicContact CB-CD2 3.78Å; H209-L220 HydrophobicContact CB-CG 4.22Å |
| 210 | R | 90.1 | Very high | 91.1 | Very high | 9 Ų | 9 | 49.5 Ų | 49.5 | 3% | 0.034 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 104.5 | 171.4 | -168.8 | -175.6 | -59.6 | -81.8 | 4.6 | 109.7 | H178 S179 G180 L212 S215 L217 | H178-R210 WeakPolarHBondContact O-CD 3.32Å; S179-R210 CarbonylContact C-O 3.47Å; S179-R210 VanDerWaalsContact CA-O 3.26Å; S179-R210 WeakPolarHBondContact CA-O 3.26Å; S179-R210 WeakPolarHBondContact CB-O 3.13Å; G180-R210 PolarHBondContact N-O 3.28Å; G180-R210 PolarHBondContact O-N 3.4Å; R210-L212 VanDerWaalsContact CG-O 3.28Å; R210-L212 WeakPolarHBondContact CG-O 3.42Å; R210-L212 PolarHBondContact O-N 3.34Å; R210-S215 PolarHBondContact NH1-O 2.81Å; R210-L217 HydrophobicContact CB-CD2 4.01Å; R210-L217 HydrophobicContact CG-CD2 4.47Å |
| 211 | P | 85.8 | Confident | 90.5 | Very high | 61 Ų | 61 | 55.1 Ų | 55.1 | 40% | 0.396 | 29% | 0.292 | S | S | . | . | trans | -62.6 | -41.4 | -176.6 | -24.4 | 31.7 | 0 | 0 | 0 | 114.7 | H209 S215 V218 | H209-P211 WeakPolarHBondContact O-CD 3.15Å; P211-S215 WeakPolarHBondContact CD-OG 3.31Å; P211-V218 HydrophobicContact CG-CG2 4.06Å | ||
| 212 | L | 84.8 | Confident | 90 | Very high | 117 Ų | 117 | 57 Ų | 57 | 61% | 0.613 | 31% | 0.306 | S | S | * | . | S | Bend | trans | -133.5 | 157.4 | -176.9 | -64.3 | 172.5 | 0 | 0 | 0 | 110.5 | R210 D214 S215 | R210-L212 VanDerWaalsContact CG-O 3.28Å; R210-L212 WeakPolarHBondContact CG-O 3.42Å; R210-L212 PolarHBondContact O-N 3.34Å; L212-D214 PolarHBondContact O-N 3.38Å; L212-S215 PolarHBondContact N-OG 2.88Å; L212-S215 WeakPolarHBondContact O-CB 3.4Å; L212-S215 PolarHBondContact O-N 2.89Å; L212-S215 VanDerWaalsContact O-N 3.09Å; L212-S215 PolarHBondContact O-OG 3.16Å |
| 213 | P | 84 | Confident | 89.7 | Confident | 76 Ų | 76 | 58.1 Ų | 58.1 | 49% | 0.494 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -49 | 132.1 | 169.3 | -26.3 | 35.4 | 0 | 0 | 0 | 111.1 | H178 S215 | H178-P213 HydrophobicContact CB-CB 4.11Å; H178-P213 HydrophobicContact CB-CG 3.97Å; H178-P213 WeakPolarHBondContact O-CA 3.37Å; P213-S215 PolarHBondContact O-N 3.48Å |
| 214 | D | 81.8 | Confident | 89.5 | Confident | 149 Ų | 149 | 58.2 Ų | 58.2 | 80% | 0.797 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.9 | 8 | 179.5 | -50.8 | -43.8 | 0 | 0 | 0 | 116.3 | L212 | L212-D214 PolarHBondContact O-N 3.38Š|
| 215 | S | 86.4 | Confident | 89.5 | Confident | 30 Ų | 30 | 58.3 Ų | 58.3 | 21% | 0.21 | 32% | 0.316 | C | S | . | . | P | Polyproline II helix | trans | -73.2 | 162.6 | 174.8 | 77 | 0 | 0 | 0 | 0 | 112.2 | R210 P211 L212 P213 | R210-S215 PolarHBondContact NH1-O 2.81Å; P211-S215 WeakPolarHBondContact CD-OG 3.31Å; L212-S215 PolarHBondContact N-OG 2.88Å; L212-S215 WeakPolarHBondContact O-CB 3.4Å; L212-S215 PolarHBondContact O-N 2.89Å; L212-S215 VanDerWaalsContact O-N 3.09Å; L212-S215 PolarHBondContact O-OG 3.16Å; P213-S215 PolarHBondContact O-N 3.48Å |
| 216 | Q | 87.2 | Confident | 89.5 | Confident | 146 Ų | 146 | 58.6 Ų | 58.6 | 68% | 0.682 | 32% | 0.318 | S | S | * | . | P | Polyproline II helix | trans | -59.3 | 153.6 | 170.2 | -68.3 | -63 | -23.9 | 0 | 0 | 112 | ||
| 217 | L | 90 | Very high | 89.8 | Confident | 32 Ų | 32 | 58.6 Ų | 58.6 | 17% | 0.168 | 32% | 0.318 | C | S | . | . | P | Polyproline II helix | trans | -77.6 | 136.9 | 173.6 | -65.9 | 176.9 | 0 | 0 | 0 | 110.2 | I144 F173 C182 Y208 R210 | I144-L217 HydrophobicContact CD1-CD1 3.47Å; I144-L217 VanDerWaalsContact CD1-CD1 3.47Å; I144-L217 HydrophobicContact CG1-CD1 4.37Å; F173-L217 HydrophobicContact CE1-CD1 4.49Å; F173-L217 HydrophobicContact CE2-CD1 4.41Å; F173-L217 HydrophobicContact CZ-CD1 3.72Å; C182-L217 VanDerWaalsContact SG-CD2 3.55Å; Y208-L217 HydrophobicContact CD1-CB 4.16Å; Y208-L217 HydrophobicContact CG-CD1 4.37Å; R210-L217 HydrophobicContact CB-CD2 4.01Å; R210-L217 HydrophobicContact CG-CD2 4.47Å |
| 218 | V | 90.7 | Very high | 90.1 | Very high | 79 Ų | 79 | 58.1 Ų | 58.1 | 48% | 0.479 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 138.4 | 172.8 | -177.4 | 0 | 0 | 0 | 0 | 108.2 | Y208 H209 P211 | Y208-V218 CarbonylContact C-O 3.45Å; Y208-V218 VanDerWaalsContact CA-O 3.29Å; Y208-V218 WeakPolarHBondContact CA-O 3.47Å; H209-V218 PolarHBondContact N-O 2.97Å; H209-V218 PolarHBondContact O-N 2.82Å; P211-V218 HydrophobicContact CG-CG2 4.06Å |
| 219 | R | 90.2 | Very high | 90.4 | Very high | 174 Ų | 174 | 56 Ų | 56 | 66% | 0.657 | 31% | 0.31 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 135.6 | 177.2 | -158.1 | 175.4 | -175.1 | 104.7 | 3.3 | 110.3 | D207 | D207-R219 WeakPolarHBondContact O-CA 3.32Å; D207-R219 WeakPolarHBondContact O-CG 3.3Å |
| 220 | L | 87.9 | Confident | 90.8 | Very high | 27 Ų | 27 | 54.6 Ų | 54.6 | 14% | 0.141 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 155.1 | 172.1 | -72.3 | 169.6 | 0 | 0 | 0 | 110.6 | P181 M206 D207 Y208 H209 S222 | P181-L220 HydrophobicContact CB-CD1 4.45Å; M206-L220 HydrophobicContact CB-CD1 4.36Å; D207-L220 PolarHBondContact O-N 2.91Å; Y208-L220 WeakPolarHBondContact O-CD1 3.33Å; H209-L220 HydrophobicContact CB-CD2 3.78Å; H209-L220 HydrophobicContact CB-CG 4.22Å; L220-S222 WeakPolarHBondContact CB-O 3.43Å; L220-S222 PolarHBondContact O-N 3.49Å |
| 221 | S | 85.4 | Confident | 91.2 | Very high | 119 Ų | 119 | 54.1 Ų | 54.1 | 83% | 0.832 | 31% | 0.306 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -65.9 | -19.9 | 176.1 | 55.5 | 0 | 0 | 0 | 0 | 113.1 | ||
| 222 | S | 88.3 | Confident | 91.8 | Very high | 43 Ų | 43 | 51.3 Ų | 51.3 | 30% | 0.301 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.3 | 154.5 | 178 | -63.9 | 0 | 0 | 0 | 0 | 109.7 | L220 H224 | L220-S222 WeakPolarHBondContact CB-O 3.43Å; L220-S222 PolarHBondContact O-N 3.49Å; S222-H224 PolarHBondContact O-CD2 3.21Å; S222-H224 PolarHBondContact O-NE2 2.97Å |
| 223 | S | 91.9 | Very high | 92.4 | Very high | 41 Ų | 41 | 47.8 Ų | 47.8 | 29% | 0.287 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 140.1 | 172.5 | -169 | 0 | 0 | 0 | 0 | 110 | G105 D207 | G105-S223 WeakPolarHBondContact CA-O 3.46Å; G105-S223 PolarHBondContact N-O 3.28Å; D207-S223 WeakPolarHBondContact OD1-CB 3.48Å; D207-S223 PolarHBondContact OD1-OG 2.84Å |
| 224 | H | 95.5 | Very high | 93.1 | Very high | 3 Ų | 3 | 44.1 Ų | 44.1 | 1% | 0.014 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 151.1 | 172.7 | -51.8 | -102.2 | 0 | 0 | 0 | 109.7 | L54 S102 F103 N104 M206 S222 | L54-H224 HydrophobicContact CD2-CB 3.56Å; L54-H224 VanDerWaalsContact CD2-CG 3.42Å; L54-H224 WeakPolarHBondContact CD2-ND1 3.29Å; S102-H224 WeakPolarHBondContact O-CA 3.43Å; F103-H224 AromaticContact CD1-ND1 3.88Å; N104-H224 PolarHBondContact N-ND1 2.93Å; N104-H224 PolarHBondContact OD1-CE1 3.17Å; M206-H224 HydrophobicContact CB-CB 4.16Å; M206-H224 WeakPolarHBondContact CB-O 3.39Å; M206-H224 PolarHBondContact N-O 3.42Å; M206-H224 PolarHBondContact O-N 3.45Å; S222-H224 PolarHBondContact O-CD2 3.21Å; S222-H224 PolarHBondContact O-NE2 2.97Å |
| 225 | I | 97.3 | Very high | 93.9 | Very high | 5 Ų | 5 | 37 Ų | 37 | 3% | 0.026 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 126.2 | 176.2 | -55.6 | 176.7 | 0 | 0 | 0 | 107.8 | W101 S102 L107 V112 I203 V204 F205 T227 | W101-I225 VanDerWaalsContact CA-O 3.25Å; W101-I225 WeakPolarHBondContact CA-O 3.48Å; S102-I225 PolarHBondContact N-O 2.91Å; S102-I225 PolarHBondContact O-N 3.21Å; L107-I225 HydrophobicContact CB-CD1 4.22Å; V112-I225 HydrophobicContact CB-CD1 4.16Å; V112-I225 HydrophobicContact CB-CG2 4.36Å; V112-I225 HydrophobicContact CG1-CG2 3.97Å; V112-I225 HydrophobicContact CG2-CD1 3.44Å; V112-I225 VanDerWaalsContact CG2-CD1 3.44Å; V112-I225 HydrophobicContact CG2-CG2 4.15Å; I203-I225 HydrophobicContact CG2-CG2 4.26Å; V204-I225 WeakPolarHBondContact O-CA 3.43Å; F205-I225 HydrophobicContact CD1-CG1 4.27Å; I225-T227 HydrophobicContact CG2-CG2 4.13Å |
| 226 | D | 96.8 | Very high | 94.4 | Very high | 6 Ų | 6 | 36 Ų | 36 | 3% | 0.032 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 138.3 | 173 | 170 | 34.6 | 0 | 0 | 0 | 108.2 | V47 W101 V204 M206 | V47-D226 HydrophobicContact CB-CB 4.43Å; V47-D226 HydrophobicContact CG2-CB 4.15Å; W101-D226 PolarHBondContact NE1-OD1 2.93Å; V204-D226 HydrophobicContact CB-CB 4.3Å; V204-D226 PolarHBondContact N-O 2.73Å; V204-D226 PolarHBondContact O-N 3.39Å; M206-D226 HydrophobicContact CE-CB 3.47Å; M206-D226 VanDerWaalsContact CE-CB 3.47Å; M206-D226 VanDerWaalsContact CE-OD2 3.25Å; M206-D226 WeakPolarHBondContact CE-OD2 3.41Å; M206-D226 HydrophobicContact SD-CB 4.02Å |
| 227 | T | 98 | Very high | 94.9 | Very high | 1 Ų | 1 | 30 Ų | 30 | 1% | 0.006 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 147.4 | 175.1 | 87.4 | 0 | 0 | 0 | 0 | 111.7 | G99 N100 V112 W201 N202 I203 I225 | G99-T227 VanDerWaalsContact CA-O 3.26Å; G99-T227 WeakPolarHBondContact CA-O 3.45Å; N100-T227 PolarHBondContact N-OG1 2.98Å; N100-T227 WeakPolarHBondContact O-CG2 3.33Å; N100-T227 PolarHBondContact O-N 2.77Å; N100-T227 PolarHBondContact O-OG1 3.28Å; N100-T227 WeakPolarHBondContact OD1-CG2 3.24Å; N100-T227 PolarHBondContact OD1-OG1 2.9Å; V112-T227 HydrophobicContact CG1-CG2 4.21Å; W201-T227 PolarHBondContact NE1-OG1 3.45Å; N202-T227 CarbonylContact O-C 3.55Å; N202-T227 VanDerWaalsContact O-CA 3.23Å; N202-T227 WeakPolarHBondContact O-CA 3.41Å; I203-T227 HydrophobicContact CB-CG2 4.38Å; I203-T227 HydrophobicContact CG1-CG2 4.19Å; I203-T227 HydrophobicContact CG2-CG2 4.08Å; I225-T227 HydrophobicContact CG2-CG2 4.13Å |
| 228 | G | 97.6 | Very high | 95.2 | Very high | 14 Ų | 14 | 29.5 Ų | 29.5 | 14% | 0.144 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 106.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | W201 N202 | W201-G228 WeakPolarHBondContact CA-O 3.38Å; N202-G228 PolarHBondContact N-O 3.36Å; N202-G228 PolarHBondContact O-N 3.27Å |
| 229 | L | 98.5 | Very high | 95.5 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 123 | 173.1 | 165.9 | 64 | 0 | 0 | 0 | 109.6 | F14 L98 L200 W201 L231 L234 | F14-L229 HydrophobicContact CD2-CD2 3.87Å; F14-L229 HydrophobicContact CE2-CD2 3.7Å; L98-L229 HydrophobicContact CB-CB 3.94Å; L98-L229 HydrophobicContact CB-CD2 4.13Å; L98-L229 HydrophobicContact CB-CG 4.09Å; L98-L229 WeakPolarHBondContact CB-O 3.4Å; L98-L229 HydrophobicContact CD1-CD2 3.84Å; L98-L229 HydrophobicContact CD1-CG 3.98Å; L98-L229 PolarHBondContact N-O 3.49Å; L98-L229 WeakPolarHBondContact O-CB 3.37Å; L98-L229 PolarHBondContact O-N 3.18Å; L200-L229 HydrophobicContact CB-CD1 4Å; L200-L229 CarbonylContact O-C 3.6Å; L200-L229 VanDerWaalsContact O-CA 3.26Å; L200-L229 WeakPolarHBondContact O-CA 3.19Å; L200-L229 WeakPolarHBondContact O-CD1 3.36Å; W201-L229 HydrophobicContact CB-CB 4.26Å; W201-L229 HydrophobicContact CB-CD1 4.11Å; W201-L229 HydrophobicContact CD2-CB 3.84Å; W201-L229 HydrophobicContact CD2-CD1 4.45Å; W201-L229 HydrophobicContact CD2-CD2 4.11Å; W201-L229 HydrophobicContact CD2-CG 4.36Å; W201-L229 HydrophobicContact CE3-CD2 3.98Å; W201-L229 HydrophobicContact CG-CB 3.7Å; W201-L229 HydrophobicContact CG-CD1 4.32Å; W201-L229 HydrophobicContact CG-CG 4.45Å; W201-L229 HydrophobicContact CH2-CD2 4.41Å; W201-L229 HydrophobicContact CZ2-CD2 4.49Å; W201-L229 HydrophobicContact CZ3-CD2 4.14Å; L229-L231 PolarHBondContact O-N 3.49Å; L229-L234 HydrophobicContact CD1-CB 4.26Å; L229-L234 HydrophobicContact CD1-CD2 4.31Å; L229-L234 HydrophobicContact CD2-CD2 3.93Å; L229-L234 HydrophobicContact CG-CD2 4.35Å |
| 230 | G | 98.1 | Very high | 95.8 | Very high | 14 Ų | 14 | 29 Ų | 29 | 14% | 0.144 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 109.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | L200 E232 R233 L234 | L200-G230 PolarHBondContact O-N 3.31Å; G230-E232 VanDerWaalsContact C-N 3.34Å; G230-E232 PolarHBondContact O-N 3.28Å; G230-R233 PolarHBondContact O-N 2.79Å; G230-L234 PolarHBondContact O-N 3.16Å |
| 231 | L | 98.7 | Very high | 96.2 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -55.9 | -48.9 | -179 | 176.1 | 67.5 | 0 | 0 | 0 | 111.4 | V10 R11 E96 L98 L229 R233 L234 C235 L249 | V10-L231 HydrophobicContact CB-CD1 3.97Å; V10-L231 HydrophobicContact CG1-CD1 3.57Å; R11-L231 HydrophobicContact CG-CD1 4.08Å; R11-L231 HydrophobicContact CG-CD2 3.94Å; E96-L231 HydrophobicContact CB-CB 3.92Å; E96-L231 HydrophobicContact CB-CD2 3.71Å; E96-L231 HydrophobicContact CB-CG 4.46Å; E96-L231 HydrophobicContact CG-CD2 4.31Å; E96-L231 VanDerWaalsContact O-CB 3.25Å; E96-L231 WeakPolarHBondContact O-CB 3.47Å; E96-L231 PolarHBondContact O-N 3.14Å; E96-L231 WeakPolarHBondContact OE2-CD2 3.45Å; L98-L231 HydrophobicContact CD1-CB 4.2Å; L98-L231 HydrophobicContact CD1-CD1 3.78Å; L98-L231 HydrophobicContact CD2-CD1 4.36Å; L98-L231 HydrophobicContact CG-CB 4.18Å; L98-L231 HydrophobicContact CG-CD1 4.23Å; L229-L231 PolarHBondContact O-N 3.49Å; L231-R233 VanDerWaalsContact C-N 3.32Å; L231-R233 PolarHBondContact O-N 3.06Å; L231-L234 PolarHBondContact O-N 2.99Å; L231-C235 WeakPolarHBondContact O-CB 3.39Å; L231-C235 PolarHBondContact O-N 2.92Å; L231-C235 PolarHBondContact O-SG 3.37Å; L231-L249 HydrophobicContact CD2-CD1 4.26Å; L231-L249 HydrophobicContact CG-CD1 4.44Å |
| 232 | E | 98.4 | Very high | 96.5 | Very high | 2 Ų | 2 | 28.9 Ų | 28.9 | 1% | 0.009 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -58.6 | -42.9 | -178.6 | -78.9 | 82.6 | 178 | 0 | 0 | 112.6 | L92 F95 E96 G230 C235 A236 P244 L249 F250 R290 | L92-E232 HydrophobicContact CD1-CB 3.8Å; L92-E232 HydrophobicContact CD1-CG 3.69Å; F95-E232 WeakPolarHBondContact CA-OE1 3.41Å; F95-E232 WeakPolarHBondContact CB-OE2 3.32Å; E96-E232 PolarHBondContact N-OE1 3.16Å; E96-E232 PolarHBondContact N-OE2 3.4Å; G230-E232 VanDerWaalsContact C-N 3.34Å; G230-E232 PolarHBondContact O-N 3.28Å; E232-C235 PolarHBondContact O-N 3.02Å; E232-A236 PolarHBondContact O-N 3.41Å; E232-P244 HydrophobicContact CB-CB 3.93Å; E232-P244 HydrophobicContact CB-CG 4.1Å; E232-L249 HydrophobicContact CG-CD1 3.97Å; E232-F250 HydrophobicContact CG-CE2 4.08Å; E232-R290 IonicContact OE1-CZ 2.7Å; E232-R290 IonicContact OE1-NH1 3.95Å; E232-R290 PolarHBondContact OE1-NH1 2.82Å; E232-R290 IonicContact OE1-NH2 2.96Å; E232-R290 PolarHBondContact OE1-NH2 3Å |
| 233 | R | 97.5 | Very high | 96.9 | Very high | 42 Ų | 42 | 26.9 Ų | 26.9 | 16% | 0.158 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -68.7 | -43.8 | 178.5 | -63.9 | 179.4 | -178 | 175.7 | -1.5 | 110.6 | V198 E199 L200 G230 L231 A236 V237 | V198-R233 HydrophobicContact CG1-CB 4.14Å; V198-R233 HydrophobicContact CG1-CG 4.22Å; E199-R233 WeakPolarHBondContact O-CD 3.25Å; E199-R233 PolarHBondContact O-NH1 3.34Å; E199-R233 IonicContact OE2-NH1 3.87Å; E199-R233 PolarHBondContact OE2-NH1 3.07Å; L200-R233 HydrophobicContact CD2-CB 4.04Å; G230-R233 PolarHBondContact O-N 2.79Å; L231-R233 VanDerWaalsContact C-N 3.32Å; L231-R233 PolarHBondContact O-N 3.06Å; R233-A236 WeakPolarHBondContact O-CB 3.25Å; R233-A236 PolarHBondContact O-N 3.23Å; R233-V237 PolarHBondContact O-N 2.93Å; R233-V237 VanDerWaalsContact O-N 3.14Å |
| 234 | L | 98.4 | Very high | 97.1 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -62.5 | -42.9 | 175.5 | 179 | 60.7 | 0 | 0 | 0 | 111.6 | V10 L98 L120 F124 I126 L229 G230 L231 A236 V237 L238 | V10-L234 HydrophobicContact CG1-CD2 3.59Å; V10-L234 HydrophobicContact CG1-CG 4.17Å; L98-L234 HydrophobicContact CD1-CD2 4.16Å; L120-L234 HydrophobicContact CD2-CD1 4.3Å; F124-L234 HydrophobicContact CD2-CD2 4.19Å; F124-L234 HydrophobicContact CE2-CD2 3.72Å; F124-L234 HydrophobicContact CZ-CD2 3.94Å; I126-L234 HydrophobicContact CD1-CD1 3.82Å; L229-L234 HydrophobicContact CD1-CB 4.26Å; L229-L234 HydrophobicContact CD1-CD2 4.31Å; L229-L234 HydrophobicContact CD2-CD2 3.93Å; L229-L234 HydrophobicContact CG-CD2 4.35Å; G230-L234 PolarHBondContact O-N 3.16Å; L231-L234 PolarHBondContact O-N 2.99Å; L234-A236 VanDerWaalsContact C-N 3.31Å; L234-A236 PolarHBondContact O-N 2.64Å; L234-V237 PolarHBondContact O-N 3.12Å; L234-L238 HydrophobicContact CD1-CD1 3.87Å; L234-L238 HydrophobicContact CD1-CD2 4.4Å; L234-L238 HydrophobicContact CD1-CG 3.91Å; L234-L238 HydrophobicContact CD2-CD1 4.3Å; L234-L238 HydrophobicContact CG-CD1 3.75Å; L234-L238 HydrophobicContact CG-CG 4.21Å; L234-L238 VanDerWaalsContact O-CG 3.32Å; L234-L238 WeakPolarHBondContact O-CG 3.22Å; L234-L238 PolarHBondContact O-N 2.95Å |
| 235 | C | 98.4 | Very high | 97.3 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -60.3 | -41.7 | 175.9 | -68.5 | 0 | 0 | 0 | 0 | 111.3 | L231 E232 V237 L238 Q239 T247 | L231-C235 WeakPolarHBondContact O-CB 3.39Å; L231-C235 PolarHBondContact O-N 2.92Å; L231-C235 PolarHBondContact O-SG 3.37Å; E232-C235 PolarHBondContact O-N 3.02Å; C235-V237 VanDerWaalsContact C-N 3.32Å; C235-V237 PolarHBondContact O-N 3.32Å; C235-L238 PolarHBondContact O-N 3.21Å; C235-Q239 WeakPolarHBondContact O-CB 3.42Å; C235-Q239 VanDerWaalsContact O-CG 3.26Å; C235-Q239 WeakPolarHBondContact O-CG 3.34Å; C235-Q239 PolarHBondContact O-N 3.31Å; C235-T247 HydrophobicContact CB-CG2 3.89Å |
| 236 | A | 97.3 | Very high | 97.3 | Very high | 7 Ų | 7 | 26.1 Ų | 26.1 | 6% | 0.058 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -59 | -43.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | E232 R233 L234 K240 V241 T247 | E232-A236 PolarHBondContact O-N 3.41Å; R233-A236 WeakPolarHBondContact O-CB 3.25Å; R233-A236 PolarHBondContact O-N 3.23Å; L234-A236 VanDerWaalsContact C-N 3.31Å; L234-A236 PolarHBondContact O-N 2.64Å; A236-K240 PolarHBondContact O-N 3.49Å; A236-V241 HydrophobicContact CB-CG2 4.05Å; A236-V241 PolarHBondContact O-N 3.07Å; A236-T247 HydrophobicContact CB-CG2 3.98Å |
| 237 | V | 97.3 | Very high | 97.4 | Very high | 22 Ų | 22 | 25.8 Ų | 25.8 | 13% | 0.133 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -62.5 | -50.3 | 175.1 | 173.7 | 0 | 0 | 0 | 0 | 111.8 | I126 F190 L200 R233 L234 C235 Q239 K240 | I126-V237 HydrophobicContact CD1-CG1 4.12Å; I126-V237 HydrophobicContact CG1-CG1 4.38Å; I126-V237 HydrophobicContact CG2-CG1 4.46Å; F190-V237 HydrophobicContact CB-CG2 4.27Å; F190-V237 HydrophobicContact CD1-CG1 4.37Å; F190-V237 HydrophobicContact CD1-CG2 3.51Å; F190-V237 HydrophobicContact CD2-CG1 3.92Å; F190-V237 HydrophobicContact CD2-CG2 4.34Å; F190-V237 HydrophobicContact CE1-CB 4.48Å; F190-V237 HydrophobicContact CE1-CG1 4.13Å; F190-V237 HydrophobicContact CE1-CG2 3.76Å; F190-V237 HydrophobicContact CE2-CG1 3.66Å; F190-V237 HydrophobicContact CG-CG1 4.24Å; F190-V237 HydrophobicContact CG-CG2 3.8Å; F190-V237 HydrophobicContact CZ-CG1 3.74Å; F190-V237 HydrophobicContact CZ-CG2 4.24Å; L200-V237 HydrophobicContact CD2-CG2 4.01Å; R233-V237 PolarHBondContact O-N 2.93Å; R233-V237 VanDerWaalsContact O-N 3.14Å; L234-V237 PolarHBondContact O-N 3.12Å; C235-V237 VanDerWaalsContact C-N 3.32Å; C235-V237 PolarHBondContact O-N 3.32Å; V237-Q239 PolarHBondContact O-N 2.92Å; V237-K240 PolarHBondContact O-N 3.36Å |
| 238 | L | 97.7 | Very high | 97.4 | Very high | 21 Ų | 21 | 28 Ų | 28 | 11% | 0.11 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -70.8 | -32.2 | -174.6 | -65.4 | 176.6 | 0 | 0 | 0 | 113.3 | W5 V10 F124 I126 L234 C235 K240 | W5-L238 HydrophobicContact CB-CB 3.65Å; W5-L238 HydrophobicContact CB-CD1 4.23Å; W5-L238 HydrophobicContact CD2-CD1 4.07Å; W5-L238 HydrophobicContact CE3-CD1 4.34Å; W5-L238 HydrophobicContact CG-CB 3.79Å; W5-L238 HydrophobicContact CG-CD1 4.03Å; W5-L238 HydrophobicContact CG-CD2 4.46Å; W5-L238 HydrophobicContact CG-CG 4.31Å; V10-L238 HydrophobicContact CG1-CD1 4.43Å; V10-L238 HydrophobicContact CG2-CD1 3.59Å; F124-L238 HydrophobicContact CB-CD2 3.92Å; F124-L238 HydrophobicContact CD1-CD1 3.54Å; F124-L238 HydrophobicContact CD1-CD2 4.25Å; F124-L238 HydrophobicContact CE1-CD1 3.86Å; F124-L238 HydrophobicContact CG-CD1 4.14Å; F124-L238 HydrophobicContact CG-CD2 4.32Å; I126-L238 HydrophobicContact CD1-CD2 4.39Å; I126-L238 HydrophobicContact CG1-CD2 4.06Å; L234-L238 HydrophobicContact CD1-CD1 3.87Å; L234-L238 HydrophobicContact CD1-CD2 4.4Å; L234-L238 HydrophobicContact CD1-CG 3.91Å; L234-L238 HydrophobicContact CD2-CD1 4.3Å; L234-L238 HydrophobicContact CG-CD1 3.75Å; L234-L238 HydrophobicContact CG-CG 4.21Å; L234-L238 VanDerWaalsContact O-CG 3.32Å; L234-L238 WeakPolarHBondContact O-CG 3.22Å; L234-L238 PolarHBondContact O-N 2.95Å; C235-L238 PolarHBondContact O-N 3.21Å; L238-K240 VanDerWaalsContact C-N 3.32Å |
| 239 | Q | 97.2 | Very high | 97.4 | Very high | 51 Ų | 51 | 27.6 Ų | 27.6 | 24% | 0.238 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -87.3 | -4.3 | 176.1 | -62.9 | 173.1 | 21.3 | 0 | 0 | 112.6 | W5 C235 V237 V241 D248 | W5-Q239 WeakPolarHBondContact O-CG 3.34Å; W5-Q239 PolarHBondContact O-NE2 3.12Å; C235-Q239 WeakPolarHBondContact O-CB 3.42Å; C235-Q239 VanDerWaalsContact O-CG 3.26Å; C235-Q239 WeakPolarHBondContact O-CG 3.34Å; C235-Q239 PolarHBondContact O-N 3.31Å; V237-Q239 PolarHBondContact O-N 2.92Å; Q239-V241 HydrophobicContact CB-CG2 4.44Å; Q239-D248 PolarHBondContact NE2-OD1 2.91Å |
| 240 | K | 95.3 | Very high | 97.4 | Very high | 191 Ų | 191 | 27.6 Ų | 27.6 | 83% | 0.83 | 14% | 0.142 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 59.1 | 48.6 | 177.4 | -53.5 | 178.7 | 179.8 | -176.6 | 0 | 112.7 | A236 V237 L238 | A236-K240 PolarHBondContact O-N 3.49Å; V237-K240 PolarHBondContact O-N 3.36Å; L238-K240 VanDerWaalsContact C-N 3.32Å |
| 241 | V | 95.5 | Very high | 97.4 | Very high | 32 Ų | 32 | 32.9 Ų | 32.9 | 19% | 0.194 | 16% | 0.157 | C | C | . | . | trans | -120.3 | 154.4 | 174.6 | -63.3 | 0 | 0 | 0 | 0 | 110.7 | A236 Q239 S243 C246 T247 | A236-V241 HydrophobicContact CB-CG2 4.05Å; A236-V241 PolarHBondContact O-N 3.07Å; Q239-V241 HydrophobicContact CB-CG2 4.44Å; V241-S243 VanDerWaalsContact C-N 3.33Å; V241-S243 WeakPolarHBondContact CG2-O 3.35Å; V241-S243 PolarHBondContact O-N 2.96Å; V241-C246 HydrophobicContact CB-CB 3.63Å; V241-C246 HydrophobicContact CG1-CB 4.01Å; V241-C246 HydrophobicContact CG2-CB 3.84Å; V241-T247 HydrophobicContact CG2-CG2 3.88Å | ||
| 242 | D | 93.4 | Very high | 97.4 | Very high | 112 Ų | 112 | 34.1 Ų | 34.1 | 60% | 0.599 | 17% | 0.165 | S | C | * | . | S | Bend | trans | -77.3 | -17 | -168 | -68.8 | -38.9 | 0 | 0 | 0 | 115 | ||
| 243 | S | 95.8 | Very high | 97.4 | Very high | 1 Ų | 1 | 34 Ų | 34 | 1% | 0.007 | 17% | 0.165 | C | C | . | . | S | Bend | trans | -148.8 | 157.3 | 179.4 | 73.3 | 0 | 0 | 0 | 0 | 111.9 | V241 F245 C246 D268 | V241-S243 VanDerWaalsContact C-N 3.33Å; V241-S243 WeakPolarHBondContact CG2-O 3.35Å; V241-S243 PolarHBondContact O-N 2.96Å; S243-F245 PolarHBondContact O-N 3.36Å; S243-F245 VanDerWaalsContact O-N 3.16Å; S243-F245 PolarHBondContact OG-N 2.96Å; S243-C246 PolarHBondContact O-N 3.43Å; S243-C246 VanDerWaalsContact O-N 3.17Å; S243-D268 WeakPolarHBondContact CB-OD2 3.31Å; S243-D268 VanDerWaalsContact OG-CG 3.23Å; S243-D268 PolarHBondContact OG-OD1 3.25Å; S243-D268 VanDerWaalsContact OG-OD1 3.13Å; S243-D268 PolarHBondContact OG-OD2 3.28Å |
| 244 | P | 97.4 | Very high | 97.4 | Very high | 6 Ų | 6 | 32.2 Ų | 32.2 | 4% | 0.039 | 16% | 0.158 | C | C | . | . | G | 310 helix | trans | -46.4 | -36.5 | 166.4 | -35.8 | 42.6 | 0 | 0 | 0 | 114.8 | R89 L92 E232 C246 T247 F250 | R89-P244 WeakPolarHBondContact O-CD 3.49Å; L92-P244 HydrophobicContact CD1-CB 4.44Å; E232-P244 HydrophobicContact CB-CB 3.93Å; E232-P244 HydrophobicContact CB-CG 4.1Å; P244-C246 PolarHBondContact O-N 3.26Å; P244-C246 VanDerWaalsContact O-N 3.09Å; P244-T247 WeakPolarHBondContact O-CB 3.42Å; P244-T247 WeakPolarHBondContact O-CG2 3.44Å; P244-T247 PolarHBondContact O-N 2.76Å; P244-T247 PolarHBondContact O-OG1 3.06Å; P244-F250 HydrophobicContact CB-CE2 4.23Å; P244-F250 WeakPolarHBondContact O-CD2 3.43Å |
| 245 | F | 98.2 | Very high | 97.4 | Very high | 1 Ų | 1 | 37.2 Ų | 37.2 | 0% | 0.004 | 18% | 0.181 | C | C | . | . | G | 310 helix | trans | -65.6 | -14.7 | -175.3 | -60.9 | -70.7 | 0 | 0 | 0 | 113.7 | L92 S243 F250 M254 Y266 R283 D287 | L92-F245 HydrophobicContact CD2-CE1 3.83Å; L92-F245 HydrophobicContact CD2-CE2 4.4Å; L92-F245 HydrophobicContact CD2-CZ 3.62Å; S243-F245 PolarHBondContact O-N 3.36Å; S243-F245 VanDerWaalsContact O-N 3.16Å; S243-F245 PolarHBondContact OG-N 2.96Å; F245-F250 AromaticContact CD1-CD1 3.77Å; F245-F250 HydrophobicContact CD1-CD1 3.77Å; F245-F250 AromaticContact CD1-CE1 3.76Å; F245-F250 HydrophobicContact CD1-CE1 3.76Å; F245-F250 HydrophobicContact CD1-CG 4.23Å; F245-F250 HydrophobicContact CD1-CZ 4.21Å; F245-F250 HydrophobicContact CE1-CD1 4.33Å; F245-F250 AromaticContact CE1-CE1 3.86Å; F245-F250 HydrophobicContact CE1-CE1 3.86Å; F245-F250 HydrophobicContact CE1-CZ 4.19Å; F245-F250 VanDerWaalsContact O-CB 3.23Å; F245-F250 WeakPolarHBondContact O-CB 3.14Å; F245-M254 HydrophobicContact CB-CE 3.95Å; F245-M254 HydrophobicContact CD1-CE 3.87Å; F245-M254 HydrophobicContact CG-CE 4.3Å; F245-Y266 HydrophobicContact CB-CE1 4.48Å; F245-R283 HydrophobicContact CB-CG 4.25Å; F245-R283 HydrophobicContact CD1-CB 3.98Å; F245-R283 HydrophobicContact CD1-CG 3.72Å; F245-R283 VanDerWaalsContact CD2-CD 3.42Å; F245-R283 HydrophobicContact CD2-CG 3.94Å; F245-R283 HydrophobicContact CE1-CB 3.75Å; F245-R283 HydrophobicContact CE1-CG 3.97Å; F245-R283 HydrophobicContact CE2-CB 4.42Å; F245-R283 HydrophobicContact CE2-CG 4.19Å; F245-R283 HydrophobicContact CG-CB 4.41Å; F245-R283 HydrophobicContact CG-CG 3.69Å; F245-R283 HydrophobicContact CZ-CB 3.99Å; F245-R283 HydrophobicContact CZ-CG 4.2Å; F245-D287 HydrophobicContact CE1-CB 4.37Å |
| 246 | C | 97.6 | Very high | 97.4 | Very high | 25 Ų | 25 | 38.4 Ų | 38.4 | 17% | 0.169 | 19% | 0.187 | C | C | . | . | G | 310 helix | trans | -98.7 | -2.4 | 177 | -67.2 | 0 | 0 | 0 | 0 | 114.3 | V241 S243 P244 R251 D268 | V241-C246 HydrophobicContact CB-CB 3.63Å; V241-C246 HydrophobicContact CG1-CB 4.01Å; V241-C246 HydrophobicContact CG2-CB 3.84Å; S243-C246 PolarHBondContact O-N 3.43Å; S243-C246 VanDerWaalsContact O-N 3.17Å; P244-C246 PolarHBondContact O-N 3.26Å; P244-C246 VanDerWaalsContact O-N 3.09Å; C246-R251 PolarHBondContact O-NE 3.43Å; C246-R251 PolarHBondContact O-NH2 2.59Å; C246-D268 VanDerWaalsContact SG-CB 3.51Å; C246-D268 VanDerWaalsContact SG-CG 3.53Å |
| 247 | T | 98.3 | Very high | 97.4 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 18% | 0.184 | C | C | . | . | S | Bend | trans | -74.9 | 168.7 | 179.8 | 64.9 | 0 | 0 | 0 | 0 | 112.1 | C235 A236 V241 P244 L249 F250 R251 | C235-T247 HydrophobicContact CB-CG2 3.89Å; A236-T247 HydrophobicContact CB-CG2 3.98Å; V241-T247 HydrophobicContact CG2-CG2 3.88Å; P244-T247 WeakPolarHBondContact O-CB 3.42Å; P244-T247 WeakPolarHBondContact O-CG2 3.44Å; P244-T247 PolarHBondContact O-N 2.76Å; P244-T247 PolarHBondContact O-OG1 3.06Å; T247-L249 PolarHBondContact O-N 3.06Å; T247-L249 VanDerWaalsContact O-N 3.16Å; T247-L249 PolarHBondContact OG1-N 3.4Å; T247-F250 PolarHBondContact O-N 2.9Å; T247-F250 VanDerWaalsContact O-N 3.08Å; T247-R251 VanDerWaalsContact O-CB 3.31Å; T247-R251 WeakPolarHBondContact O-CB 3.4Å; T247-R251 PolarHBondContact O-N 3.24Å |
| 248 | D | 98 | Very high | 97.3 | Very high | 48 Ų | 48 | 38.2 Ų | 38.2 | 26% | 0.257 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60 | -16.3 | 171.7 | 68.3 | -31.4 | 0 | 0 | 0 | 114.3 | T6 A7 Q239 P252 | T6-D248 WeakPolarHBondContact CA-OD2 3.42Å; T6-D248 WeakPolarHBondContact CB-OD2 3.43Å; A7-D248 PolarHBondContact N-OD1 3.27Å; A7-D248 PolarHBondContact N-OD2 2.89Å; Q239-D248 PolarHBondContact NE2-OD1 2.91Å; D248-P252 WeakPolarHBondContact O-CD 3.39Å; D248-P252 WeakPolarHBondContact O-CG 3.49Å |
| 249 | L | 98.3 | Very high | 97.2 | Very high | 4 Ų | 4 | 44.1 Ų | 44.1 | 2% | 0.021 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.5 | -28.3 | 172.7 | -67.6 | 169.6 | 0 | 0 | 0 | 113.5 | A7 L231 E232 T247 I253 M343 | A7-L249 HydrophobicContact CB-CD1 3.87Å; A7-L249 HydrophobicContact CB-CD2 3.51Å; A7-L249 HydrophobicContact CB-CG 3.56Å; L231-L249 HydrophobicContact CD2-CD1 4.26Å; L231-L249 HydrophobicContact CG-CD1 4.44Å; E232-L249 HydrophobicContact CG-CD1 3.97Å; T247-L249 PolarHBondContact O-N 3.06Å; T247-L249 VanDerWaalsContact O-N 3.16Å; T247-L249 PolarHBondContact OG1-N 3.4Å; L249-I253 VanDerWaalsContact O-CD1 3.23Å; L249-I253 WeakPolarHBondContact O-CD1 3.39Å; L249-M343 HydrophobicContact CD2-SD 4.11Å |
| 250 | F | 98.6 | Very high | 97.1 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -116 | -35.5 | -173.2 | -78.4 | -88.7 | 0 | 0 | 0 | 113.3 | L92 E232 P244 F245 T247 I253 M254 A286 D287 R290 | L92-F250 HydrophobicContact CD2-CE2 4.45Å; L92-F250 HydrophobicContact CD2-CZ 3.83Å; E232-F250 HydrophobicContact CG-CE2 4.08Å; P244-F250 HydrophobicContact CB-CE2 4.23Å; P244-F250 WeakPolarHBondContact O-CD2 3.43Å; F245-F250 AromaticContact CD1-CD1 3.77Å; F245-F250 HydrophobicContact CD1-CD1 3.77Å; F245-F250 AromaticContact CD1-CE1 3.76Å; F245-F250 HydrophobicContact CD1-CE1 3.76Å; F245-F250 HydrophobicContact CD1-CG 4.23Å; F245-F250 HydrophobicContact CD1-CZ 4.21Å; F245-F250 HydrophobicContact CE1-CD1 4.33Å; F245-F250 AromaticContact CE1-CE1 3.86Å; F245-F250 HydrophobicContact CE1-CE1 3.86Å; F245-F250 HydrophobicContact CE1-CZ 4.19Å; F245-F250 VanDerWaalsContact O-CB 3.23Å; F245-F250 WeakPolarHBondContact O-CB 3.14Å; T247-F250 PolarHBondContact O-N 2.9Å; T247-F250 VanDerWaalsContact O-N 3.08Å; F250-I253 CarbonylContact O-C 3.54Å; F250-I253 WeakPolarHBondContact O-CA 3.45Å; F250-I253 VanDerWaalsContact O-CB 3.31Å; F250-I253 WeakPolarHBondContact O-CB 3.4Å; F250-I253 PolarHBondContact O-N 3.47Å; F250-M254 HydrophobicContact CD1-CE 4.43Å; F250-M254 WeakPolarHBondContact O-CG 3.49Å; F250-M254 PolarHBondContact O-N 2.93Å; F250-A286 HydrophobicContact CD1-CB 3.96Å; F250-A286 HydrophobicContact CE1-CB 4.34Å; F250-D287 HydrophobicContact CE1-CB 4.21Å; F250-R290 VanDerWaalsContact CE2-NH1 3.26Å |
| 251 | R | 98.2 | Very high | 96.9 | Very high | 126 Ų | 126 | 33.4 Ų | 33.4 | 48% | 0.475 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -52.1 | -47.2 | -177.4 | -177.6 | -173.4 | -53.9 | -143 | -1.6 | 113 | C246 T247 I253 M254 E255 | C246-R251 PolarHBondContact O-NE 3.43Å; C246-R251 PolarHBondContact O-NH2 2.59Å; T247-R251 VanDerWaalsContact O-CB 3.31Å; T247-R251 WeakPolarHBondContact O-CB 3.4Å; T247-R251 PolarHBondContact O-N 3.24Å; R251-I253 PolarHBondContact O-N 2.94Å; R251-M254 PolarHBondContact O-N 3.33Å; R251-M254 VanDerWaalsContact O-N 3.17Å; R251-E255 WeakPolarHBondContact CG-OE1 3.37Å; R251-E255 WeakPolarHBondContact O-CG 3.42Å; R251-E255 PolarHBondContact O-N 3.33Å |
| 252 | P | 98.5 | Very high | 96.6 | Very high | 25 Ų | 25 | 39.6 Ų | 39.6 | 16% | 0.162 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -66.6 | -22 | 178.5 | -18.3 | 32.5 | 0 | 0 | 0 | 113.9 | D248 E256 R338 V342 | D248-P252 WeakPolarHBondContact O-CD 3.39Å; D248-P252 WeakPolarHBondContact O-CG 3.49Å; P252-E256 PolarHBondContact O-N 2.98Å; P252-R338 WeakPolarHBondContact O-CG 3.37Å; P252-R338 PolarHBondContact O-NE 3.39Å; P252-V342 HydrophobicContact CB-CG2 3.73Å; P252-V342 HydrophobicContact CG-CG2 4.1Å |
| 253 | I | 98.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -79.4 | -42.8 | 174.6 | -54.9 | 169.3 | 0 | 0 | 0 | 109.6 | L249 F250 R251 E255 E256 I257 A286 R290 V335 V339 V342 | L249-I253 VanDerWaalsContact O-CD1 3.23Å; L249-I253 WeakPolarHBondContact O-CD1 3.39Å; F250-I253 CarbonylContact O-C 3.54Å; F250-I253 WeakPolarHBondContact O-CA 3.45Å; F250-I253 VanDerWaalsContact O-CB 3.31Å; F250-I253 WeakPolarHBondContact O-CB 3.4Å; F250-I253 PolarHBondContact O-N 3.47Å; R251-I253 PolarHBondContact O-N 2.94Å; I253-E255 VanDerWaalsContact C-N 3.32Å; I253-E255 PolarHBondContact O-N 2.73Å; I253-E256 WeakPolarHBondContact O-CB 3.42Å; I253-E256 PolarHBondContact O-N 3.39Å; I253-E256 VanDerWaalsContact O-N 3.14Å; I253-I257 HydrophobicContact CG2-CD1 4.3Å; I253-I257 WeakPolarHBondContact O-CG1 3.08Å; I253-I257 PolarHBondContact O-N 3.23Å; I253-A286 HydrophobicContact CB-CB 4.44Å; I253-A286 HydrophobicContact CG2-CB 3.77Å; I253-R290 HydrophobicContact CD1-CG 3.96Å; I253-V335 HydrophobicContact CG2-CG1 3.66Å; I253-V339 HydrophobicContact CD1-CG2 3.79Å; I253-V339 HydrophobicContact CG1-CG2 4.18Å; I253-V339 HydrophobicContact CG2-CG2 4.33Å; I253-V342 HydrophobicContact CG1-CG2 4.26Å |
| 254 | M | 98.1 | Very high | 96.4 | Very high | 4 Ų | 4 | 39.8 Ų | 39.8 | 2% | 0.02 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -61.7 | -40.3 | 175.1 | -62.3 | -55.5 | -172.2 | 0 | 0 | 112.1 | F245 F250 R251 E256 I257 T258 Y266 Y282 R283 A286 | F245-M254 HydrophobicContact CB-CE 3.95Å; F245-M254 HydrophobicContact CD1-CE 3.87Å; F245-M254 HydrophobicContact CG-CE 4.3Å; F250-M254 HydrophobicContact CD1-CE 4.43Å; F250-M254 WeakPolarHBondContact O-CG 3.49Å; F250-M254 PolarHBondContact O-N 2.93Å; R251-M254 PolarHBondContact O-N 3.33Å; R251-M254 VanDerWaalsContact O-N 3.17Å; M254-E256 VanDerWaalsContact C-N 3.31Å; M254-I257 PolarHBondContact O-N 2.91Å; M254-I257 HydrophobicContact SD-CD1 4.21Å; M254-T258 WeakPolarHBondContact O-CB 3.11Å; M254-T258 PolarHBondContact O-N 3.5Å; M254-T258 PolarHBondContact O-OG1 3.44Å; M254-Y266 HydrophobicContact CB-CD1 4.49Å; M254-Y266 HydrophobicContact CB-CG 4.14Å; M254-Y266 HydrophobicContact CE-CD2 4.34Å; M254-Y266 HydrophobicContact CE-CE1 4.47Å; M254-Y266 HydrophobicContact CE-CE2 4.06Å; M254-Y266 HydrophobicContact CG-CD1 4.12Å; M254-Y266 HydrophobicContact CG-CD2 4.41Å; M254-Y266 HydrophobicContact CG-CG 4Å; M254-Y266 HydrophobicContact SD-CD2 3.99Å; M254-Y266 HydrophobicContact SD-CE2 4.3Å; M254-Y266 HydrophobicContact SD-CG 4.19Å; M254-Y282 HydrophobicContact SD-CD1 4.07Å; M254-R283 HydrophobicContact CE-CG 3.99Å; M254-A286 HydrophobicContact CE-CB 3.85Å; M254-A286 HydrophobicContact SD-CB 3.92Å |
| 255 | E | 98.3 | Very high | 96.3 | Very high | 105 Ų | 105 | 44.5 Ų | 44.5 | 49% | 0.491 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -61.5 | -40.2 | 173.1 | -72.9 | 166.8 | -177.5 | 0 | 0 | 111.5 | R251 I253 T258 R259 | R251-E255 WeakPolarHBondContact CG-OE1 3.37Å; R251-E255 WeakPolarHBondContact O-CG 3.42Å; R251-E255 PolarHBondContact O-N 3.33Å; I253-E255 VanDerWaalsContact C-N 3.32Å; I253-E255 PolarHBondContact O-N 2.73Å; E255-T258 WeakPolarHBondContact O-CB 3.39Å; E255-T258 PolarHBondContact O-N 3.03Å; E255-R259 WeakPolarHBondContact O-CB 3.36Å; E255-R259 PolarHBondContact O-N 3.14Å |
| 256 | E | 97.8 | Very high | 96.3 | Very high | 25 Ų | 25 | 46.5 Ų | 46.5 | 12% | 0.117 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -67.1 | -44.4 | 176.1 | -179.5 | 67.3 | 179.2 | 0 | 0 | 111.9 | P252 I253 M254 T258 R259 V260 R338 | P252-E256 PolarHBondContact O-N 2.98Å; I253-E256 WeakPolarHBondContact O-CB 3.42Å; I253-E256 PolarHBondContact O-N 3.39Å; I253-E256 VanDerWaalsContact O-N 3.14Å; M254-E256 VanDerWaalsContact C-N 3.31Å; E256-T258 VanDerWaalsContact C-N 3.3Å; E256-T258 PolarHBondContact O-N 3.06Å; E256-R259 VanDerWaalsContact CD-NH2 3.32Å; E256-R259 PolarHBondContact O-N 2.89Å; E256-R259 VanDerWaalsContact O-N 3.12Å; E256-R259 IonicContact OE1-CZ 3.78Å; E256-R259 IonicContact OE1-NE 2.67Å; E256-R259 IonicContact OE1-NH2 3.79Å; E256-R259 PolarHBondContact OE1-NH2 3.39Å; E256-R259 IonicContact OE2-CZ 3.07Å; E256-R259 IonicContact OE2-NE 2.78Å; E256-R259 PolarHBondContact OE2-NE 2.99Å; E256-R259 IonicContact OE2-NH2 3.77Å; E256-R259 PolarHBondContact OE2-NH2 2.51Å; E256-V260 HydrophobicContact CG-CG1 4.2Å; E256-V260 WeakPolarHBondContact O-CG1 3.46Å; E256-V260 VanDerWaalsContact O-CG2 3.29Å; E256-V260 WeakPolarHBondContact O-CG2 3.39Å; E256-V260 PolarHBondContact O-N 3.4Å; E256-V260 VanDerWaalsContact OE1-CG1 3.24Å; E256-V260 WeakPolarHBondContact OE1-CG1 3.49Å; E256-R338 HydrophobicContact CB-CB 3.96Å; E256-R338 HydrophobicContact CB-CG 3.76Å; E256-R338 HydrophobicContact CG-CB 3.74Å; E256-R338 HydrophobicContact CG-CG 4.11Å |
| 257 | I | 96.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -55.7 | -48.5 | 173.8 | -65.8 | 164.2 | 0 | 0 | 0 | 110 | I253 M254 R259 V260 A261 Y282 I285 A286 I325 V335 | I253-I257 HydrophobicContact CG2-CD1 4.3Å; I253-I257 WeakPolarHBondContact O-CG1 3.08Å; I253-I257 PolarHBondContact O-N 3.23Å; M254-I257 PolarHBondContact O-N 2.91Å; M254-I257 HydrophobicContact SD-CD1 4.21Å; I257-R259 VanDerWaalsContact C-N 3.31Å; I257-R259 PolarHBondContact O-N 2.91Å; I257-V260 PolarHBondContact O-N 3.01Å; I257-A261 WeakPolarHBondContact O-CB 3.26Å; I257-A261 PolarHBondContact O-N 3.04Å; I257-Y282 HydrophobicContact CB-CD1 4.17Å; I257-Y282 HydrophobicContact CB-CE1 4.17Å; I257-Y282 HydrophobicContact CG2-CD1 3.76Å; I257-Y282 HydrophobicContact CG2-CD2 4.31Å; I257-Y282 HydrophobicContact CG2-CE1 3.72Å; I257-Y282 HydrophobicContact CG2-CE2 4.26Å; I257-Y282 HydrophobicContact CG2-CG 4.09Å; I257-I285 HydrophobicContact CD1-CB 4.01Å; I257-I285 HydrophobicContact CD1-CG2 3.65Å; I257-I285 HydrophobicContact CG1-CG2 3.95Å; I257-A286 HydrophobicContact CD1-CB 4Å; I257-I325 HydrophobicContact CG2-CD1 4.31Å; I257-V335 HydrophobicContact CD1-CG1 4.43Å; I257-V335 HydrophobicContact CG1-CG1 4.08Å; I257-V335 HydrophobicContact CG1-CG2 3.81Å |
| 258 | T | 96.5 | Very high | 96.2 | Very high | 26 Ų | 26 | 48.6 Ų | 48.6 | 16% | 0.16 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -53.6 | -48.6 | 175.8 | -56.1 | 0 | 0 | 0 | 0 | 111 | M254 E255 E256 K262 L263 Y282 | M254-T258 WeakPolarHBondContact O-CB 3.11Å; M254-T258 PolarHBondContact O-N 3.5Å; M254-T258 PolarHBondContact O-OG1 3.44Å; E255-T258 WeakPolarHBondContact O-CB 3.39Å; E255-T258 PolarHBondContact O-N 3.03Å; E256-T258 VanDerWaalsContact C-N 3.3Å; E256-T258 PolarHBondContact O-N 3.06Å; T258-K262 WeakPolarHBondContact O-CA 3.27Å; T258-K262 PolarHBondContact O-N 3.26Å; T258-L263 WeakPolarHBondContact CG2-O 3.38Å; T258-L263 PolarHBondContact O-N 2.95Å; T258-L263 VanDerWaalsContact O-N 3.11Å; T258-Y282 WeakPolarHBondContact OG1-CE1 3.44Å |
| 259 | R | 95.8 | Very high | 96.1 | Very high | 145 Ų | 145 | 48.4 Ų | 48.4 | 55% | 0.547 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -66.9 | -49.8 | -176.8 | -170.9 | -169.8 | 71.2 | 75.9 | -0.6 | 112.6 | E255 E256 I257 | E255-R259 WeakPolarHBondContact O-CB 3.36Å; E255-R259 PolarHBondContact O-N 3.14Å; E256-R259 VanDerWaalsContact CD-NH2 3.32Å; E256-R259 PolarHBondContact O-N 2.89Å; E256-R259 VanDerWaalsContact O-N 3.12Å; E256-R259 IonicContact OE1-CZ 3.78Å; E256-R259 IonicContact OE1-NE 2.67Å; E256-R259 IonicContact OE1-NH2 3.79Å; E256-R259 PolarHBondContact OE1-NH2 3.39Å; E256-R259 IonicContact OE2-CZ 3.07Å; E256-R259 IonicContact OE2-NE 2.78Å; E256-R259 PolarHBondContact OE2-NE 2.99Å; E256-R259 IonicContact OE2-NH2 3.77Å; E256-R259 PolarHBondContact OE2-NH2 2.51Å; I257-R259 VanDerWaalsContact C-N 3.31Å; I257-R259 PolarHBondContact O-N 2.91Å |
| 260 | V | 93.8 | Very high | 96 | Very high | 17 Ų | 17 | 49.5 Ų | 49.5 | 10% | 0.103 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -76.3 | -34.3 | -173.7 | -58.6 | 0 | 0 | 0 | 0 | 112.4 | E256 I257 F331 Q334 V335 | E256-V260 HydrophobicContact CG-CG1 4.2Å; E256-V260 WeakPolarHBondContact O-CG1 3.46Å; E256-V260 VanDerWaalsContact O-CG2 3.29Å; E256-V260 WeakPolarHBondContact O-CG2 3.39Å; E256-V260 PolarHBondContact O-N 3.4Å; E256-V260 VanDerWaalsContact OE1-CG1 3.24Å; E256-V260 WeakPolarHBondContact OE1-CG1 3.49Å; I257-V260 PolarHBondContact O-N 3.01Å; V260-F331 HydrophobicContact CB-CB 4.22Å; V260-F331 HydrophobicContact CG2-CB 3.78Å; V260-F331 HydrophobicContact CG2-CD2 3.44Å; V260-F331 VanDerWaalsContact CG2-CD2 3.44Å; V260-F331 HydrophobicContact CG2-CE2 4.23Å; V260-F331 HydrophobicContact CG2-CG 3.8Å; V260-Q334 HydrophobicContact CG1-CB 4.02Å; V260-V335 HydrophobicContact CG2-CG2 4.34Å |
| 261 | A | 91.1 | Very high | 95.7 | Very high | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -87.1 | -7.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113 | I257 L263 F326 F331 | I257-A261 WeakPolarHBondContact O-CB 3.26Å; I257-A261 PolarHBondContact O-N 3.04Å; A261-L263 VanDerWaalsContact C-N 3.3Å; A261-L263 HydrophobicContact CB-CB 4.46Å; A261-L263 HydrophobicContact CB-CD1 3.5Å; A261-L263 HydrophobicContact CB-CG 3.72Å; A261-L263 PolarHBondContact O-N 3.37Å; A261-F326 HydrophobicContact CB-CB 4.1Å; A261-F326 HydrophobicContact CB-CG 4.38Å; A261-F326 WeakPolarHBondContact O-CD2 3.44Å; A261-F331 HydrophobicContact CB-CE1 4.22Å; A261-F331 HydrophobicContact CB-CE2 4.46Å; A261-F331 HydrophobicContact CB-CZ 4.1Å |
| 262 | K | 90.8 | Very high | 95.4 | Very high | 162 Ų | 162 | 52.9 Ų | 52.9 | 70% | 0.704 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.9 | 45.2 | -176.6 | -56 | -175.9 | 179.3 | -175.5 | 0 | 112.7 | T258 | T258-K262 WeakPolarHBondContact O-CA 3.27Å; T258-K262 PolarHBondContact O-N 3.26Å |
| 263 | L | 90.3 | Very high | 95.3 | Very high | 37 Ų | 37 | 54.7 Ų | 54.7 | 19% | 0.194 | 31% | 0.309 | C | S | . | . | trans | -105.2 | 170.2 | -176.4 | -71.3 | 173.7 | 0 | 0 | 0 | 111.1 | T258 A261 Y282 I325 | T258-L263 WeakPolarHBondContact CG2-O 3.38Å; T258-L263 PolarHBondContact O-N 2.95Å; T258-L263 VanDerWaalsContact O-N 3.11Å; A261-L263 VanDerWaalsContact C-N 3.3Å; A261-L263 HydrophobicContact CB-CB 4.46Å; A261-L263 HydrophobicContact CB-CD1 3.5Å; A261-L263 HydrophobicContact CB-CG 3.72Å; A261-L263 PolarHBondContact O-N 3.37Å; L263-Y282 HydrophobicContact CB-CE2 4.37Å; L263-Y282 WeakPolarHBondContact CB-OH 3.31Å; L263-Y282 HydrophobicContact CD1-CE2 3.73Å; L263-I325 HydrophobicContact CD1-CB 3.63Å; L263-I325 HydrophobicContact CD1-CD1 3.56Å; L263-I325 HydrophobicContact CD1-CG1 3.68Å | ||
| 264 | P | 92.8 | Very high | 95.1 | Very high | 79 Ų | 79 | 55 Ų | 55 | 51% | 0.513 | 31% | 0.31 | S | S | . | . | P | Polyproline II helix | trans | -59.9 | 155.2 | 172.3 | -23.3 | 34.7 | 0 | 0 | 0 | 112.5 | Y266 Y282 | P264-Y266 PolarHBondContact O-N 3.27Å; P264-Y282 PolarHBondContact O-OH 3.31Å |
| 265 | P | 96.7 | Very high | 94.7 | Very high | 106 Ų | 106 | 59.6 Ų | 59.6 | 69% | 0.688 | 34% | 0.341 | S | S | * | . | P | Polyproline II helix | trans | -54.6 | 141.4 | 172.4 | -24.6 | 34.3 | 0 | 0 | 0 | 111.9 | A267 F279 | P265-A267 PolarHBondContact O-N 3.25Å; P265-F279 WeakPolarHBondContact O-CE1 3.24Å |
| 266 | Y | 97.5 | Very high | 94.2 | Very high | 42 Ų | 42 | 60.5 Ų | 60.5 | 17% | 0.165 | 35% | 0.349 | C | S | . | . | P | Polyproline II helix | trans | -55.9 | 133.5 | 176.9 | 175.9 | -101.6 | 0 | 0 | 0 | 112.1 | F245 M254 P264 D268 F279 Y282 R283 | F245-Y266 HydrophobicContact CB-CE1 4.48Å; M254-Y266 HydrophobicContact CB-CD1 4.49Å; M254-Y266 HydrophobicContact CB-CG 4.14Å; M254-Y266 HydrophobicContact CE-CD2 4.34Å; M254-Y266 HydrophobicContact CE-CE1 4.47Å; M254-Y266 HydrophobicContact CE-CE2 4.06Å; M254-Y266 HydrophobicContact CG-CD1 4.12Å; M254-Y266 HydrophobicContact CG-CD2 4.41Å; M254-Y266 HydrophobicContact CG-CG 4Å; M254-Y266 HydrophobicContact SD-CD2 3.99Å; M254-Y266 HydrophobicContact SD-CE2 4.3Å; M254-Y266 HydrophobicContact SD-CG 4.19Å; P264-Y266 PolarHBondContact O-N 3.27Å; Y266-D268 HydrophobicContact CE1-CB 4Å; Y266-D268 PolarHBondContact OH-OD1 3.14Å; Y266-F279 HydrophobicContact CD2-CB 4.32Å; Y266-F279 AromaticContact CD2-CD1 3.83Å; Y266-F279 HydrophobicContact CD2-CD1 3.83Å; Y266-F279 HydrophobicContact CD2-CG 4.5Å; Y266-F279 HydrophobicContact CE2-CB 3.97Å; Y266-F279 HydrophobicContact CE2-CD1 4.32Å; Y266-Y282 AromaticContact CD2-CD1 3.74Å; Y266-Y282 HydrophobicContact CD2-CD1 3.74Å; Y266-Y282 AromaticContact CD2-CG 3.91Å; Y266-Y282 HydrophobicContact CD2-CG 3.91Å; Y266-Y282 HydrophobicContact CG-CD1 4.27Å; Y266-R283 HydrophobicContact CE2-CG 3.92Å; Y266-R283 VanDerWaalsContact OH-CD 3.27Å; Y266-R283 WeakPolarHBondContact OH-CD 3.35Å; Y266-R283 WeakPolarHBondContact OH-CG 3.33Å; Y266-R283 PolarHBondContact OH-NH1 3.39Å |
| 267 | A | 97.4 | Very high | 93.9 | Very high | 37 Ų | 37 | 62 Ų | 62 | 31% | 0.306 | 36% | 0.358 | S | S | . | . | trans | -119.8 | 137.8 | 169.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | P265 V269 F279 | P265-A267 PolarHBondContact O-N 3.25Å; A267-V269 HydrophobicContact CB-CG2 4.24Å; A267-V269 PolarHBondContact O-N 2.8Å; A267-F279 HydrophobicContact CB-CD1 4.34Å; A267-F279 HydrophobicContact CB-CD2 4.27Å; A267-F279 HydrophobicContact CB-CE1 3.96Å; A267-F279 HydrophobicContact CB-CE2 3.84Å; A267-F279 HydrophobicContact CB-CG 4.47Å; A267-F279 HydrophobicContact CB-CZ 3.66Å; A267-F279 VanDerWaalsContact N-CD1 3.3Å; A267-F279 WeakPolarHBondContact O-CB 3.49Å; A267-F279 VanDerWaalsContact O-CG 3.27Å; A267-F279 WeakPolarHBondContact O-CG 3.34Å | ||
| 268 | D | 96.7 | Very high | 93.8 | Very high | 32 Ų | 32 | 64.1 Ų | 64.1 | 17% | 0.171 | 37% | 0.371 | C | S | . | . | trans | -83.7 | 59.5 | -177.2 | -158.7 | 40.8 | 0 | 0 | 0 | 112.6 | S243 C246 Y266 Y270 | S243-D268 WeakPolarHBondContact CB-OD2 3.31Å; S243-D268 VanDerWaalsContact OG-CG 3.23Å; S243-D268 PolarHBondContact OG-OD1 3.25Å; S243-D268 VanDerWaalsContact OG-OD1 3.13Å; S243-D268 PolarHBondContact OG-OD2 3.28Å; C246-D268 VanDerWaalsContact SG-CB 3.51Å; C246-D268 VanDerWaalsContact SG-CG 3.53Å; Y266-D268 HydrophobicContact CE1-CB 4Å; Y266-D268 PolarHBondContact OH-OD1 3.14Å; D268-Y270 WeakPolarHBondContact O-CE2 3.34Å; D268-Y270 WeakPolarHBondContact OD1-CE2 3.31Å; D268-Y270 PolarHBondContact OD1-OH 2.91Å | ||
| 269 | V | 96.4 | Very high | 93.8 | Very high | 45 Ų | 45 | 64.5 Ų | 64.5 | 27% | 0.273 | 37% | 0.37 | S | S | . | . | trans | -112.7 | 155 | -179.2 | -64.8 | 0 | 0 | 0 | 0 | 111.8 | A267 A273 D274 F279 R283 | A267-V269 HydrophobicContact CB-CG2 4.24Å; A267-V269 PolarHBondContact O-N 2.8Å; V269-A273 HydrophobicContact CB-CB 3.98Å; V269-A273 HydrophobicContact CG1-CB 4.39Å; V269-D274 HydrophobicContact CG2-CB 4.15Å; V269-F279 HydrophobicContact CG2-CB 4.46Å; V269-F279 HydrophobicContact CG2-CD2 3.31Å; V269-F279 HydrophobicContact CG2-CE2 3.79Å; V269-F279 HydrophobicContact CG2-CG 4.15Å; V269-R283 PolarHBondContact O-NH1 2.8Å; V269-R283 PolarHBondContact O-NH2 2.83Å; V269-R283 VanDerWaalsContact O-NH2 3.12Å | ||
| 270 | Y | 94.8 | Very high | 93.7 | Very high | 27 Ų | 27 | 58 Ų | 58 | 11% | 0.106 | 35% | 0.347 | C | S | . | . | trans | -144.1 | 154.3 | -167.7 | -59.4 | -95.3 | 0 | 0 | 0 | 111.1 | D88 R89 D268 T272 A273 R283 | D88-Y270 VanDerWaalsContact O-CE1 3.27Å; D88-Y270 WeakPolarHBondContact O-CE1 3.32Å; R89-Y270 HydrophobicContact CG-CD2 4.21Å; R89-Y270 HydrophobicContact CG-CE1 4.06Å; R89-Y270 HydrophobicContact CG-CE2 3.54Å; R89-Y270 VanDerWaalsContact CG-CZ 3.46Å; D268-Y270 WeakPolarHBondContact O-CE2 3.34Å; D268-Y270 WeakPolarHBondContact OD1-CE2 3.31Å; D268-Y270 PolarHBondContact OD1-OH 2.91Å; Y270-T272 PolarHBondContact O-N 2.88Å; Y270-A273 PolarHBondContact O-N 3.48Å; Y270-R283 VanDerWaalsContact CE1-NE 3.35Å | ||
| 271 | G | 92.4 | Very high | 93.8 | Very high | 50 Ų | 50 | 57.7 Ų | 57.7 | 52% | 0.515 | 35% | 0.345 | S | S | . | . | G | 310 helix | trans | 58.7 | -126.1 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | A273 D274 | G271-A273 PolarHBondContact O-N 2.89Å; G271-A273 VanDerWaalsContact O-N 3.12Å; G271-D274 CarbonylContact O-C 3.23Å; G271-D274 VanDerWaalsContact O-C 3.23Å; G271-D274 WeakPolarHBondContact O-CA 3.48Å; G271-D274 PolarHBondContact O-N 3.23Å |
| 272 | T | 93.5 | Very high | 94.1 | Very high | 146 Ų | 146 | 57.7 Ų | 57.7 | 90% | 0.896 | 35% | 0.345 | S | S | * | . | G | 310 helix | trans | -62.9 | -19 | -178.3 | 53.3 | 0 | 0 | 0 | 0 | 114.2 | Y270 D274 | Y270-T272 PolarHBondContact O-N 2.88Å; T272-D274 VanDerWaalsContact C-N 3.33Å |
| 273 | A | 95.4 | Very high | 94.5 | Very high | 63 Ų | 63 | 50.1 Ų | 50.1 | 52% | 0.521 | 31% | 0.312 | S | S | . | . | G | 310 helix | trans | -85.3 | -5.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | V269 Y270 G271 | V269-A273 HydrophobicContact CB-CB 3.98Å; V269-A273 HydrophobicContact CG1-CB 4.39Å; Y270-A273 PolarHBondContact O-N 3.48Å; G271-A273 PolarHBondContact O-N 2.89Å; G271-A273 VanDerWaalsContact O-N 3.12Å |
| 274 | D | 93.9 | Very high | 94.7 | Very high | 6 Ų | 6 | 48.7 Ų | 48.7 | 3% | 0.032 | 30% | 0.304 | C | S | . | . | S | Bend | trans | -134.3 | 61.7 | 174.4 | -172.8 | 23 | 0 | 0 | 0 | 109.7 | V269 G271 T272 D276 N277 V278 F279 C280 | V269-D274 HydrophobicContact CG2-CB 4.15Å; G271-D274 CarbonylContact O-C 3.23Å; G271-D274 VanDerWaalsContact O-C 3.23Å; G271-D274 WeakPolarHBondContact O-CA 3.48Å; G271-D274 PolarHBondContact O-N 3.23Å; T272-D274 VanDerWaalsContact C-N 3.33Å; D274-D276 PolarHBondContact O-N 2.79Å; D274-N277 PolarHBondContact O-N 3.5Å; D274-N277 WeakPolarHBondContact OD2-CA 3.22Å; D274-V278 PolarHBondContact OD1-N 2.88Å; D274-V278 PolarHBondContact OD2-N 2.96Å; D274-F279 PolarHBondContact OD1-N 2.83Å; D274-F279 WeakPolarHBondContact OD2-CA 3.42Å; D274-F279 PolarHBondContact OD2-N 3.48Å; D274-C280 PolarHBondContact OD2-N 3.28Å |
| 275 | P | 89.3 | Confident | 95 | Very high | 101 Ų | 101 | 45 Ų | 45 | 66% | 0.656 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -31.9 | -167.8 | 24.3 | -34.9 | 0 | 0 | 0 | 113.6 | N277 | P275-N277 VanDerWaalsContact C-N 3.34Š|
| 276 | D | 88.5 | Confident | 95 | Very high | 124 Ų | 124 | 39.9 Ų | 39.9 | 66% | 0.663 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91.5 | 5 | 178.5 | -62.6 | -46 | 0 | 0 | 0 | 113 | D274 V278 | D274-D276 PolarHBondContact O-N 2.79Å; D276-V278 HydrophobicContact CB-CG2 4.03Å; D276-V278 PolarHBondContact O-N 2.93Å |
| 277 | N | 91.7 | Very high | 95.1 | Very high | 57 Ų | 57 | 37.9 Ų | 37.9 | 31% | 0.305 | 24% | 0.239 | S | C | . | . | trans | 55 | 32.8 | -177.4 | -72.8 | -53.6 | 0 | 0 | 0 | 113.4 | D274 P275 C280 N281 | D274-N277 PolarHBondContact O-N 3.5Å; D274-N277 WeakPolarHBondContact OD2-CA 3.22Å; P275-N277 VanDerWaalsContact C-N 3.34Å; N277-C280 HydrophobicContact CB-CB 3.85Å; N277-N281 PolarHBondContact O-N 2.99Å; N277-N281 PolarHBondContact O-ND2 3.09Å | ||
| 278 | V | 93.7 | Very high | 95.1 | Very high | 44 Ų | 44 | 36.2 Ų | 36.2 | 27% | 0.267 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -63.2 | -51.8 | -179.3 | 175.7 | 0 | 0 | 0 | 0 | 109.4 | D274 D276 N281 Y282 I325 | D274-V278 PolarHBondContact OD1-N 2.88Å; D274-V278 PolarHBondContact OD2-N 2.96Å; D276-V278 HydrophobicContact CB-CG2 4.03Å; D276-V278 PolarHBondContact O-N 2.93Å; V278-N281 PolarHBondContact O-N 2.87Å; V278-Y282 HydrophobicContact CG1-CE2 4.23Å; V278-Y282 WeakPolarHBondContact O-CD2 3.2Å; V278-Y282 PolarHBondContact O-N 3.3Å; V278-I325 HydrophobicContact CG1-CG2 4.37Å |
| 279 | F | 96.4 | Very high | 95.2 | Very high | 35 Ų | 35 | 34.8 Ų | 34.8 | 15% | 0.154 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -77.7 | -26.1 | -177.6 | -58.7 | -64.5 | 0 | 0 | 0 | 112.6 | P265 Y266 A267 V269 D274 N281 Y282 R283 | P265-F279 WeakPolarHBondContact O-CE1 3.24Å; Y266-F279 HydrophobicContact CD2-CB 4.32Å; Y266-F279 AromaticContact CD2-CD1 3.83Å; Y266-F279 HydrophobicContact CD2-CD1 3.83Å; Y266-F279 HydrophobicContact CD2-CG 4.5Å; Y266-F279 HydrophobicContact CE2-CB 3.97Å; Y266-F279 HydrophobicContact CE2-CD1 4.32Å; A267-F279 HydrophobicContact CB-CD1 4.34Å; A267-F279 HydrophobicContact CB-CD2 4.27Å; A267-F279 HydrophobicContact CB-CE1 3.96Å; A267-F279 HydrophobicContact CB-CE2 3.84Å; A267-F279 HydrophobicContact CB-CG 4.47Å; A267-F279 HydrophobicContact CB-CZ 3.66Å; A267-F279 VanDerWaalsContact N-CD1 3.3Å; A267-F279 WeakPolarHBondContact O-CB 3.49Å; A267-F279 VanDerWaalsContact O-CG 3.27Å; A267-F279 WeakPolarHBondContact O-CG 3.34Å; V269-F279 HydrophobicContact CG2-CB 4.46Å; V269-F279 HydrophobicContact CG2-CD2 3.31Å; V269-F279 HydrophobicContact CG2-CE2 3.79Å; V269-F279 HydrophobicContact CG2-CG 4.15Å; D274-F279 PolarHBondContact OD1-N 2.83Å; D274-F279 WeakPolarHBondContact OD2-CA 3.42Å; D274-F279 PolarHBondContact OD2-N 3.48Å; F279-N281 VanDerWaalsContact C-N 3.3Å; F279-N281 PolarHBondContact O-N 3.45Å; F279-Y282 WeakPolarHBondContact O-CB 3.47Å; F279-Y282 PolarHBondContact O-N 2.85Å; F279-R283 PolarHBondContact O-N 2.64Å; F279-R283 VanDerWaalsContact O-N 3.13Å; F279-R283 PolarHBondContact O-NH1 2.94Å |
| 280 | C | 95.5 | Very high | 95.3 | Very high | 7 Ų | 7 | 32.6 Ų | 32.6 | 5% | 0.047 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -55.1 | -46.8 | 165 | 179.9 | 0 | 0 | 0 | 0 | 111.3 | G86 D274 N277 Y282 R283 I284 | G86-C280 VanDerWaalsContact C-SG 3.59Å; G86-C280 PolarHBondContact O-SG 3.23Å; G86-C280 VanDerWaalsContact O-SG 3.4Å; D274-C280 PolarHBondContact OD2-N 3.28Å; N277-C280 HydrophobicContact CB-CB 3.85Å; C280-Y282 PolarHBondContact O-N 3.3Å; C280-R283 VanDerWaalsContact CA-NH2 3.27Å; C280-R283 PolarHBondContact O-N 3.07Å; C280-I284 WeakPolarHBondContact O-CG1 3.23Å; C280-I284 PolarHBondContact O-N 2.81Å |
| 281 | N | 95 | Very high | 95.4 | Very high | 12 Ų | 12 | 31.3 Ų | 31.3 | 6% | 0.064 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -66 | -34.7 | 178 | -75.2 | -55.7 | 0 | 0 | 0 | 112.9 | N277 V278 F279 R283 I284 I285 S321 I325 | N277-N281 PolarHBondContact O-N 2.99Å; N277-N281 PolarHBondContact O-ND2 3.09Å; V278-N281 PolarHBondContact O-N 2.87Å; F279-N281 VanDerWaalsContact C-N 3.3Å; F279-N281 PolarHBondContact O-N 3.45Å; N281-R283 VanDerWaalsContact C-N 3.35Å; N281-R283 PolarHBondContact O-N 3.08Å; N281-I284 PolarHBondContact O-N 3.42Å; N281-I285 WeakPolarHBondContact O-CB 3.39Å; N281-I285 VanDerWaalsContact O-CD1 3.31Å; N281-I285 WeakPolarHBondContact O-CD1 3.48Å; N281-I285 WeakPolarHBondContact O-CG1 3.15Å; N281-I285 PolarHBondContact O-N 2.81Å; N281-S321 WeakPolarHBondContact OD1-CA 3.4Å; N281-S321 WeakPolarHBondContact OD1-CB 3.26Å; N281-S321 PolarHBondContact OD1-OG 3.28Å; N281-I325 HydrophobicContact CB-CG2 3.63Å |
| 282 | Y | 97.5 | Very high | 95.7 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -56.9 | -48.3 | 170.8 | -89.2 | -119.6 | 0 | 0 | 0 | 112 | M254 I257 T258 L263 P264 Y266 V278 F279 C280 I285 A286 I325 | M254-Y282 HydrophobicContact SD-CD1 4.07Å; I257-Y282 HydrophobicContact CB-CD1 4.17Å; I257-Y282 HydrophobicContact CB-CE1 4.17Å; I257-Y282 HydrophobicContact CG2-CD1 3.76Å; I257-Y282 HydrophobicContact CG2-CD2 4.31Å; I257-Y282 HydrophobicContact CG2-CE1 3.72Å; I257-Y282 HydrophobicContact CG2-CE2 4.26Å; I257-Y282 HydrophobicContact CG2-CG 4.09Å; T258-Y282 WeakPolarHBondContact OG1-CE1 3.44Å; L263-Y282 HydrophobicContact CB-CE2 4.37Å; L263-Y282 WeakPolarHBondContact CB-OH 3.31Å; L263-Y282 HydrophobicContact CD1-CE2 3.73Å; P264-Y282 PolarHBondContact O-OH 3.31Å; Y266-Y282 AromaticContact CD2-CD1 3.74Å; Y266-Y282 HydrophobicContact CD2-CD1 3.74Å; Y266-Y282 AromaticContact CD2-CG 3.91Å; Y266-Y282 HydrophobicContact CD2-CG 3.91Å; Y266-Y282 HydrophobicContact CG-CD1 4.27Å; V278-Y282 HydrophobicContact CG1-CE2 4.23Å; V278-Y282 WeakPolarHBondContact O-CD2 3.2Å; V278-Y282 PolarHBondContact O-N 3.3Å; F279-Y282 WeakPolarHBondContact O-CB 3.47Å; F279-Y282 PolarHBondContact O-N 2.85Å; C280-Y282 PolarHBondContact O-N 3.3Å; Y282-I285 PolarHBondContact O-N 2.96Å; Y282-A286 WeakPolarHBondContact O-CB 3.48Å; Y282-A286 PolarHBondContact O-N 3.33Å; Y282-I325 HydrophobicContact CD2-CD1 4.11Å; Y282-I325 HydrophobicContact CE2-CD1 4.13Å |
| 283 | R | 98 | Very high | 95.9 | Very high | 2 Ų | 2 | 22.1 Ų | 22.1 | 1% | 0.008 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -64.1 | -43.3 | 180 | -68.7 | -177.3 | -70.4 | -91.3 | 5.6 | 112.4 | G86 F245 M254 Y266 V269 Y270 F279 C280 N281 A286 D287 | G86-R283 VanDerWaalsContact O-CZ 3.25Å; G86-R283 PolarHBondContact O-NE 3.14Å; G86-R283 PolarHBondContact O-NH2 3.4Å; F245-R283 HydrophobicContact CB-CG 4.25Å; F245-R283 HydrophobicContact CD1-CB 3.98Å; F245-R283 HydrophobicContact CD1-CG 3.72Å; F245-R283 VanDerWaalsContact CD2-CD 3.42Å; F245-R283 HydrophobicContact CD2-CG 3.94Å; F245-R283 HydrophobicContact CE1-CB 3.75Å; F245-R283 HydrophobicContact CE1-CG 3.97Å; F245-R283 HydrophobicContact CE2-CB 4.42Å; F245-R283 HydrophobicContact CE2-CG 4.19Å; F245-R283 HydrophobicContact CG-CB 4.41Å; F245-R283 HydrophobicContact CG-CG 3.69Å; F245-R283 HydrophobicContact CZ-CB 3.99Å; F245-R283 HydrophobicContact CZ-CG 4.2Å; M254-R283 HydrophobicContact CE-CG 3.99Å; Y266-R283 HydrophobicContact CE2-CG 3.92Å; Y266-R283 VanDerWaalsContact OH-CD 3.27Å; Y266-R283 WeakPolarHBondContact OH-CD 3.35Å; Y266-R283 WeakPolarHBondContact OH-CG 3.33Å; Y266-R283 PolarHBondContact OH-NH1 3.39Å; V269-R283 PolarHBondContact O-NH1 2.8Å; V269-R283 PolarHBondContact O-NH2 2.83Å; V269-R283 VanDerWaalsContact O-NH2 3.12Å; Y270-R283 VanDerWaalsContact CE1-NE 3.35Å; F279-R283 PolarHBondContact O-N 2.64Å; F279-R283 VanDerWaalsContact O-N 3.13Å; F279-R283 PolarHBondContact O-NH1 2.94Å; C280-R283 VanDerWaalsContact CA-NH2 3.27Å; C280-R283 PolarHBondContact O-N 3.07Å; N281-R283 VanDerWaalsContact C-N 3.35Å; N281-R283 PolarHBondContact O-N 3.08Å; R283-A286 PolarHBondContact O-N 3.48Å; R283-D287 WeakPolarHBondContact O-CB 3.42Å; R283-D287 PolarHBondContact O-N 2.83Å |
| 284 | I | 96.4 | Very high | 96.1 | Very high | 8 Ų | 8 | 19.1 Ų | 19.1 | 4% | 0.041 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -58.3 | -50.8 | 174.9 | -67.9 | 165.7 | 0 | 0 | 0 | 110.3 | V85 C280 N281 A286 H288 R317 S321 | V85-I284 WeakPolarHBondContact O-CG1 3.45Å; C280-I284 WeakPolarHBondContact O-CG1 3.23Å; C280-I284 PolarHBondContact O-N 2.81Å; N281-I284 PolarHBondContact O-N 3.42Å; I284-A286 PolarHBondContact O-N 3.32Å; I284-H288 WeakPolarHBondContact O-CB 3.4Å; I284-H288 VanDerWaalsContact O-CG 3.29Å; I284-H288 PolarHBondContact O-N 3.44Å; I284-R317 HydrophobicContact CG2-CG 3.87Å; I284-S321 WeakPolarHBondContact CG2-OG 3.48Å |
| 285 | I | 97.2 | Very high | 96.3 | Very high | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -59.1 | -51.3 | -179.3 | -68.4 | 162 | 0 | 0 | 0 | 110.3 | I257 N281 Y282 C289 A322 I325 F331 L332 V335 | I257-I285 HydrophobicContact CD1-CB 4.01Å; I257-I285 HydrophobicContact CD1-CG2 3.65Å; I257-I285 HydrophobicContact CG1-CG2 3.95Å; N281-I285 WeakPolarHBondContact O-CB 3.39Å; N281-I285 VanDerWaalsContact O-CD1 3.31Å; N281-I285 WeakPolarHBondContact O-CD1 3.48Å; N281-I285 WeakPolarHBondContact O-CG1 3.15Å; N281-I285 PolarHBondContact O-N 2.81Å; Y282-I285 PolarHBondContact O-N 2.96Å; I285-C289 WeakPolarHBondContact O-CB 3.35Å; I285-C289 PolarHBondContact O-N 3.41Å; I285-C289 PolarHBondContact O-SG 3.19Å; I285-A322 HydrophobicContact CD1-CB 4.05Å; I285-A322 HydrophobicContact CG1-CB 4.47Å; I285-I325 HydrophobicContact CD1-CD1 3.45Å; I285-I325 VanDerWaalsContact CD1-CD1 3.45Å; I285-I325 HydrophobicContact CD1-CG1 4.36Å; I285-F331 HydrophobicContact CD1-CE2 4.36Å; I285-F331 HydrophobicContact CD1-CZ 4.23Å; I285-L332 HydrophobicContact CG1-CD2 4.38Å; I285-L332 HydrophobicContact CG2-CD2 3.63Å; I285-V335 HydrophobicContact CG2-CG1 4.18Å; I285-V335 HydrophobicContact CG2-CG2 4.37Å |
| 286 | A | 98.2 | Very high | 96.7 | Very high | 0 Ų | 0 | 14.9 Ų | 14.9 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -61.1 | -50.7 | -176.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | F250 I253 M254 I257 Y282 R283 I284 R290 | F250-A286 HydrophobicContact CD1-CB 3.96Å; F250-A286 HydrophobicContact CE1-CB 4.34Å; I253-A286 HydrophobicContact CB-CB 4.44Å; I253-A286 HydrophobicContact CG2-CB 3.77Å; M254-A286 HydrophobicContact CE-CB 3.85Å; M254-A286 HydrophobicContact SD-CB 3.92Å; I257-A286 HydrophobicContact CD1-CB 4Å; Y282-A286 WeakPolarHBondContact O-CB 3.48Å; Y282-A286 PolarHBondContact O-N 3.33Å; R283-A286 PolarHBondContact O-N 3.48Å; I284-A286 PolarHBondContact O-N 3.32Å; A286-R290 WeakPolarHBondContact O-CG 3.2Å; A286-R290 PolarHBondContact O-N 3.09Å |
| 287 | D | 98.5 | Very high | 97.2 | Very high | 0 Ų | 0 | 9 Ų | 9 | 0% | 0 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -66.1 | -45.6 | -179.3 | 170.8 | 84.5 | 0 | 0 | 0 | 112.2 | V85 L92 S93 F94 F245 F250 R283 C289 R290 M291 | V85-D287 HydrophobicContact CG1-CB 3.7Å; V85-D287 WeakPolarHBondContact CG1-OD2 3.42Å; L92-D287 WeakPolarHBondContact CA-OD1 3.33Å; S93-D287 WeakPolarHBondContact CB-OD2 3.33Å; S93-D287 PolarHBondContact N-OD1 2.95Å; S93-D287 PolarHBondContact N-OD2 3.35Å; S93-D287 PolarHBondContact OG-OD2 3.03Å; F94-D287 PolarHBondContact N-OD1 3.47Å; F245-D287 HydrophobicContact CE1-CB 4.37Å; F250-D287 HydrophobicContact CE1-CB 4.21Å; R283-D287 WeakPolarHBondContact O-CB 3.42Å; R283-D287 PolarHBondContact O-N 2.83Å; D287-C289 PolarHBondContact O-N 3.39Å; D287-R290 WeakPolarHBondContact O-CB 3.4Å; D287-R290 PolarHBondContact O-N 3.03Å; D287-R290 VanDerWaalsContact O-N 3.11Å; D287-M291 PolarHBondContact O-N 3.29Å |
| 288 | H | 97.6 | Very high | 97.4 | Very high | 1 Ų | 1 | 7.8 Ų | 7.8 | 1% | 0.005 | 4% | 0.042 | C | C | . | . | H | α-helix | trans | -68.5 | -35 | -179.4 | -72.4 | 12 | 0 | 0 | 0 | 112.2 | S93 I284 R290 M291 C292 T314 R317 A318 | S93-H288 PolarHBondContact OG-ND1 3.18Å; I284-H288 WeakPolarHBondContact O-CB 3.4Å; I284-H288 VanDerWaalsContact O-CG 3.29Å; I284-H288 PolarHBondContact O-N 3.44Å; H288-R290 VanDerWaalsContact C-N 3.3Å; H288-R290 PolarHBondContact O-N 2.78Å; H288-M291 PolarHBondContact O-N 3.26Å; H288-C292 WeakPolarHBondContact O-CB 3.23Å; H288-C292 PolarHBondContact O-N 3.17Å; H288-C292 PolarHBondContact O-SG 3.31Å; H288-T314 HydrophobicContact CB-CG2 3.67Å; H288-R317 WeakPolarHBondContact NE2-CD 3.47Å; H288-R317 PolarHBondContact NE2-NE 3.32Å; H288-A318 HydrophobicContact CB-CB 3.96Å |
| 289 | C | 98.4 | Very high | 97.6 | Very high | 2 Ų | 2 | 8.2 Ų | 8.2 | 1% | 0.014 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -61.7 | -37.9 | 171 | -76.9 | 0 | 0 | 0 | 0 | 111.6 | I285 D287 T293 V335 V336 V339 | I285-C289 WeakPolarHBondContact O-CB 3.35Å; I285-C289 PolarHBondContact O-N 3.41Å; I285-C289 PolarHBondContact O-SG 3.19Å; D287-C289 PolarHBondContact O-N 3.39Å; C289-T293 WeakPolarHBondContact O-CB 3.3Å; C289-T293 PolarHBondContact O-N 3.16Å; C289-T293 PolarHBondContact O-OG1 3.33Å; C289-V335 HydrophobicContact CB-CG1 3.92Å; C289-V336 HydrophobicContact CB-CG2 3.79Å; C289-V339 HydrophobicContact CB-CG2 4.08Å |
| 290 | R | 98.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 7.1 Ų | 7.1 | 0% | 0 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -60 | -51.2 | 172.1 | -66.6 | 173.9 | 76.1 | -144.3 | 3.2 | 111.4 | F94 E96 E232 F250 I253 A286 D287 H288 C292 T293 F294 V339 | F94-R290 HydrophobicContact CB-CB 4.44Å; F94-R290 HydrophobicContact CD1-CB 3.82Å; F94-R290 HydrophobicContact CE1-CB 4.49Å; F94-R290 HydrophobicContact CG-CB 4.3Å; F94-R290 PolarHBondContact O-NH1 3.06Å; E96-R290 IonicContact OE2-NH2 2.84Å; E232-R290 IonicContact OE1-CZ 2.7Å; E232-R290 IonicContact OE1-NH1 3.95Å; E232-R290 PolarHBondContact OE1-NH1 2.82Å; E232-R290 IonicContact OE1-NH2 2.96Å; E232-R290 PolarHBondContact OE1-NH2 3Å; F250-R290 VanDerWaalsContact CE2-NH1 3.26Å; I253-R290 HydrophobicContact CD1-CG 3.96Å; A286-R290 WeakPolarHBondContact O-CG 3.2Å; A286-R290 PolarHBondContact O-N 3.09Å; D287-R290 WeakPolarHBondContact O-CB 3.4Å; D287-R290 PolarHBondContact O-N 3.03Å; D287-R290 VanDerWaalsContact O-N 3.11Å; H288-R290 VanDerWaalsContact C-N 3.3Å; H288-R290 PolarHBondContact O-N 2.78Å; R290-C292 PolarHBondContact O-N 3.22Å; R290-T293 PolarHBondContact O-N 3.01Å; R290-F294 WeakPolarHBondContact O-CD2 3.17Å; R290-F294 PolarHBondContact O-N 2.89Å; R290-V339 HydrophobicContact CB-CG1 4.45Å; R290-V339 HydrophobicContact CG-CG1 4.06Å; R290-V339 HydrophobicContact CG-CG2 4.11Å |
| 291 | M | 98.2 | Very high | 97.7 | Very high | 0 Ų | 0 | 12 Ų | 12 | 0% | 0 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -57 | -49 | 178.1 | -173.3 | -93.1 | 179.5 | 0 | 0 | 112.1 | F42 V77 F94 D287 H288 T293 F294 A295 V310 L311 T314 | F42-M291 HydrophobicContact CD2-CE 4.25Å; F42-M291 HydrophobicContact CE1-CE 4.18Å; F42-M291 HydrophobicContact CE2-CE 3.63Å; F42-M291 HydrophobicContact CZ-CE 3.58Å; V77-M291 HydrophobicContact CG1-CE 3.77Å; V77-M291 HydrophobicContact CG1-CG 4.29Å; V77-M291 HydrophobicContact CG2-CE 4.17Å; V77-M291 HydrophobicContact CG2-CG 3.97Å; F94-M291 HydrophobicContact CB-CB 3.71Å; F94-M291 HydrophobicContact CB-CG 4.32Å; D287-M291 PolarHBondContact O-N 3.29Å; H288-M291 PolarHBondContact O-N 3.26Å; M291-T293 PolarHBondContact O-N 3.42Å; M291-F294 PolarHBondContact O-N 3.29Å; M291-A295 WeakPolarHBondContact O-CB 3.39Å; M291-A295 PolarHBondContact O-N 3.26Å; M291-V310 HydrophobicContact CE-CG1 4.11Å; M291-L311 HydrophobicContact SD-CD1 4.35Å; M291-T314 HydrophobicContact SD-CG2 3.75Å |
| 292 | C | 98.1 | Very high | 97.7 | Very high | 2 Ų | 2 | 12.1 Ų | 12.1 | 1% | 0.014 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -64.5 | -41.8 | -178.1 | -63.7 | 0 | 0 | 0 | 0 | 112 | H288 R290 F294 A295 L296 L311 I315 | H288-C292 WeakPolarHBondContact O-CB 3.23Å; H288-C292 PolarHBondContact O-N 3.17Å; H288-C292 PolarHBondContact O-SG 3.31Å; R290-C292 PolarHBondContact O-N 3.22Å; C292-F294 PolarHBondContact O-N 3.44Å; C292-A295 PolarHBondContact O-N 3.12Å; C292-L296 WeakPolarHBondContact O-CB 3.49Å; C292-L296 WeakPolarHBondContact O-CD1 3.4Å; C292-L296 WeakPolarHBondContact O-CG 3.39Å; C292-L296 PolarHBondContact O-N 2.62Å; C292-L311 HydrophobicContact CB-CD1 4.01Å; C292-I315 HydrophobicContact CB-CG1 4.24Å; C292-I315 WeakPolarHBondContact SG-CG1 3.25Å |
| 293 | T | 98.5 | Very high | 97.5 | Very high | 0 Ų | 0 | 13 Ų | 13 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -55.3 | -51.3 | 178.1 | -59.4 | 0 | 0 | 0 | 0 | 110.8 | C289 R290 M291 A297 V336 V339 I340 L350 I357 | C289-T293 WeakPolarHBondContact O-CB 3.3Å; C289-T293 PolarHBondContact O-N 3.16Å; C289-T293 PolarHBondContact O-OG1 3.33Å; R290-T293 PolarHBondContact O-N 3.01Å; M291-T293 PolarHBondContact O-N 3.42Å; T293-A297 VanDerWaalsContact O-CB 3.29Å; T293-A297 WeakPolarHBondContact O-CB 3.16Å; T293-A297 PolarHBondContact O-N 3.15Å; T293-V336 HydrophobicContact CG2-CG1 4.36Å; T293-V336 VanDerWaalsContact OG1-CG1 3.31Å; T293-V336 WeakPolarHBondContact OG1-CG1 3.47Å; T293-V339 HydrophobicContact CG2-CG1 3.99Å; T293-I340 HydrophobicContact CG2-CD1 4.28Å; T293-I340 HydrophobicContact CG2-CG1 3.58Å; T293-L350 HydrophobicContact CG2-CD2 4.26Å; T293-I357 HydrophobicContact CG2-CD1 4.41Å |
| 294 | F | 98.5 | Very high | 97 | Very high | 0 Ų | 0 | 16.3 Ų | 16.3 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -73.4 | -36.3 | -178.5 | -77.7 | -68.8 | 0 | 0 | 0 | 113.3 | L31 R75 F94 R290 M291 C292 L296 A297 D298 M343 Y347 L350 | L31-F294 HydrophobicContact CD1-CB 3.53Å; L31-F294 HydrophobicContact CG-CB 4.42Å; R75-F294 VanDerWaalsContact CD-CD1 3.44Å; R75-F294 HydrophobicContact CG-CE1 4.47Å; F94-F294 HydrophobicContact CD1-CD2 4.42Å; F94-F294 HydrophobicContact CD2-CB 4.49Å; F94-F294 HydrophobicContact CD2-CD2 4.14Å; F94-F294 AromaticContact CE1-CD2 3.71Å; F94-F294 HydrophobicContact CE1-CD2 3.71Å; F94-F294 AromaticContact CE1-CE2 3.63Å; F94-F294 HydrophobicContact CE1-CE2 3.63Å; F94-F294 HydrophobicContact CE2-CB 3.9Å; F94-F294 AromaticContact CE2-CD2 3.34Å; F94-F294 HydrophobicContact CE2-CD2 3.34Å; F94-F294 AromaticContact CE2-CE2 3.99Å; F94-F294 HydrophobicContact CE2-CE2 3.99Å; F94-F294 AromaticContact CE2-CG 3.77Å; F94-F294 HydrophobicContact CE2-CG 3.77Å; F94-F294 AromaticContact CZ-CD2 3.11Å; F94-F294 HydrophobicContact CZ-CD2 3.11Å; F94-F294 AromaticContact CZ-CE2 3.25Å; F94-F294 HydrophobicContact CZ-CE2 3.25Å; F94-F294 AromaticContact CZ-CG 3.88Å; F94-F294 HydrophobicContact CZ-CG 3.88Å; F94-F294 HydrophobicContact CZ-CZ 4.08Å; R290-F294 WeakPolarHBondContact O-CD2 3.17Å; R290-F294 PolarHBondContact O-N 2.89Å; M291-F294 PolarHBondContact O-N 3.29Å; C292-F294 PolarHBondContact O-N 3.44Å; F294-L296 VanDerWaalsContact C-N 3.34Å; F294-L296 PolarHBondContact O-N 2.67Å; F294-A297 PolarHBondContact O-N 3.08Å; F294-D298 WeakPolarHBondContact O-CB 3.36Å; F294-D298 PolarHBondContact O-N 3.34Å; F294-M343 HydrophobicContact CE2-CB 4.4Å; F294-M343 HydrophobicContact CE2-CE 3.89Å; F294-M343 HydrophobicContact CE2-CG 4.02Å; F294-M343 HydrophobicContact CZ-CB 3.98Å; F294-M343 HydrophobicContact CZ-CE 3.76Å; F294-M343 HydrophobicContact CZ-CG 4.09Å; F294-Y347 HydrophobicContact CE1-CD1 4.21Å; F294-Y347 AromaticContact CE1-CD2 3.74Å; F294-Y347 HydrophobicContact CE1-CD2 3.74Å; F294-Y347 HydrophobicContact CE1-CE2 4.25Å; F294-Y347 AromaticContact CE1-CG 3.68Å; F294-Y347 HydrophobicContact CE1-CG 3.68Å; F294-Y347 AromaticContact CZ-CD2 3.45Å; F294-Y347 HydrophobicContact CZ-CD2 3.45Å; F294-Y347 VanDerWaalsContact CZ-CD2 3.45Å; F294-Y347 AromaticContact CZ-CE2 3.8Å; F294-Y347 HydrophobicContact CZ-CE2 3.8Å; F294-Y347 AromaticContact CZ-CG 3.91Å; F294-Y347 HydrophobicContact CZ-CG 3.91Å; F294-L350 HydrophobicContact CD1-CD1 4.37Å; F294-L350 HydrophobicContact CD1-CD2 3.85Å; F294-L350 HydrophobicContact CE1-CD1 3.68Å; F294-L350 HydrophobicContact CE1-CD2 3.9Å; F294-L350 HydrophobicContact CE1-CG 4.09Å; F294-L350 HydrophobicContact CZ-CD1 3.83Å |
| 295 | A | 98.3 | Very high | 96.7 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -61.1 | -45 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | F42 M291 C292 D298 G299 V300 L311 | F42-A295 HydrophobicContact CE1-CB 3.95Å; F42-A295 HydrophobicContact CZ-CB 4.27Å; M291-A295 WeakPolarHBondContact O-CB 3.39Å; M291-A295 PolarHBondContact O-N 3.26Å; C292-A295 PolarHBondContact O-N 3.12Å; A295-D298 CarbonylContact O-C 3.58Å; A295-D298 PolarHBondContact O-N 3.5Å; A295-G299 PolarHBondContact O-N 2.77Å; A295-V300 HydrophobicContact CB-CB 4.25Å; A295-V300 VanDerWaalsContact O-CB 3.32Å; A295-V300 WeakPolarHBondContact O-CB 3.32Å; A295-V300 PolarHBondContact O-N 2.8Å; A295-L311 HydrophobicContact CB-CD1 3.88Å; A295-L311 HydrophobicContact CB-CD2 4.29Å |
| 296 | L | 98.3 | Very high | 96.3 | Very high | 18 Ų | 18 | 29.9 Ų | 29.9 | 9% | 0.094 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -67.1 | -42.7 | 175.8 | -73.2 | 163 | 0 | 0 | 0 | 112.1 | C292 F294 D298 G299 V300 L301 L311 I357 M360 L361 | C292-L296 WeakPolarHBondContact O-CB 3.49Å; C292-L296 WeakPolarHBondContact O-CD1 3.4Å; C292-L296 WeakPolarHBondContact O-CG 3.39Å; C292-L296 PolarHBondContact O-N 2.62Å; F294-L296 VanDerWaalsContact C-N 3.34Å; F294-L296 PolarHBondContact O-N 2.67Å; L296-D298 PolarHBondContact O-N 3.48Å; L296-G299 PolarHBondContact O-N 3.16Å; L296-V300 WeakPolarHBondContact CD2-O 3.24Å; L296-L301 HydrophobicContact CD2-CD2 4.37Å; L296-L311 HydrophobicContact CD2-CD2 4.1Å; L296-L311 HydrophobicContact CG-CD2 4.17Å; L296-I357 HydrophobicContact CB-CG1 3.97Å; L296-I357 HydrophobicContact CB-CG2 4.3Å; L296-I357 HydrophobicContact CD1-CG2 3.98Å; L296-M360 HydrophobicContact CD1-CG 4.43Å; L296-M360 HydrophobicContact CD2-CB 4.19Å; L296-M360 HydrophobicContact CD2-CG 3.58Å; L296-L361 HydrophobicContact CD1-CD2 3.03Å |
| 297 | A | 98 | Very high | 96.1 | Very high | 2 Ų | 2 | 30.8 Ų | 30.8 | 2% | 0.017 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -57.9 | -35.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | T293 F294 G299 L350 K353 I357 | T293-A297 VanDerWaalsContact O-CB 3.29Å; T293-A297 WeakPolarHBondContact O-CB 3.16Å; T293-A297 PolarHBondContact O-N 3.15Å; F294-A297 PolarHBondContact O-N 3.08Å; A297-G299 VanDerWaalsContact C-N 3.27Å; A297-G299 PolarHBondContact O-N 3.49Å; A297-L350 HydrophobicContact CB-CD2 3.44Å; A297-L350 VanDerWaalsContact CB-CD2 3.44Å; A297-K353 HydrophobicContact CB-CD 4.22Å; A297-K353 WeakPolarHBondContact O-CD 3.41Å; A297-K353 PolarHBondContact O-NZ 3.01Å; A297-I357 HydrophobicContact CB-CD1 3.93Å |
| 298 | D | 97.1 | Very high | 96 | Very high | 30 Ų | 30 | 31.3 Ų | 31.3 | 16% | 0.16 | 18% | 0.184 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.8 | 7.3 | 178.5 | -70.4 | -3.2 | 0 | 0 | 0 | 113.1 | S30 L31 R75 F294 A295 L296 H349 | S30-D298 WeakPolarHBondContact OG-CB 3.29Å; L31-D298 HydrophobicContact CB-CB 4.41Å; L31-D298 WeakPolarHBondContact CB-OD2 3.2Å; L31-D298 PolarHBondContact N-OD2 2.64Å; R75-D298 IonicContact CZ-OD1 2.84Å; R75-D298 IonicContact CZ-OD2 2.7Å; R75-D298 IonicContact NH1-OD1 3.25Å; R75-D298 PolarHBondContact NH1-OD1 3.37Å; R75-D298 IonicContact NH1-OD2 2.92Å; R75-D298 PolarHBondContact NH1-OD2 2.98Å; R75-D298 IonicContact NH2-OD1 3.81Å; R75-D298 PolarHBondContact NH2-OD1 2.96Å; R75-D298 IonicContact NH2-OD2 2.76Å; R75-D298 PolarHBondContact NH2-OD2 2.67Å; F294-D298 WeakPolarHBondContact O-CB 3.36Å; F294-D298 PolarHBondContact O-N 3.34Å; A295-D298 CarbonylContact O-C 3.58Å; A295-D298 PolarHBondContact O-N 3.5Å; L296-D298 PolarHBondContact O-N 3.48Å; D298-H349 IonicContact OD1-NE2 3.89Å |
| 299 | G | 96.4 | Very high | 95.7 | Very high | 54 Ų | 54 | 35.4 Ų | 35.4 | 56% | 0.557 | 20% | 0.2 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 91 | 8.7 | 170.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | A295 L296 A297 L301 | A295-G299 PolarHBondContact O-N 2.77Å; L296-G299 PolarHBondContact O-N 3.16Å; A297-G299 VanDerWaalsContact C-N 3.27Å; A297-G299 PolarHBondContact O-N 3.49Å; G299-L301 PolarHBondContact O-N 3.22Å |
| 300 | V | 97.1 | Very high | 95.5 | Very high | 11 Ų | 11 | 36 Ų | 36 | 7% | 0.067 | 20% | 0.203 | C | C | . | . | trans | -76.1 | 124 | 173.2 | -174.7 | 0 | 0 | 0 | 0 | 109.1 | V32 F42 A295 L296 L311 | V32-V300 HydrophobicContact CG2-CG2 3.53Å; F42-V300 HydrophobicContact CE1-CG2 3.97Å; F42-V300 HydrophobicContact CZ-CG1 4.21Å; F42-V300 HydrophobicContact CZ-CG2 4.47Å; A295-V300 HydrophobicContact CB-CB 4.25Å; A295-V300 VanDerWaalsContact O-CB 3.32Å; A295-V300 WeakPolarHBondContact O-CB 3.32Å; A295-V300 PolarHBondContact O-N 2.8Å; L296-V300 WeakPolarHBondContact CD2-O 3.24Å; V300-L311 HydrophobicContact CB-CD2 4.13Å; V300-L311 HydrophobicContact CG1-CB 4.18Å; V300-L311 HydrophobicContact CG1-CD2 3.81Å; V300-L311 WeakPolarHBondContact O-CD2 3.42Å | ||
| 301 | L | 97.3 | Very high | 95.4 | Very high | 109 Ų | 109 | 36 Ų | 36 | 57% | 0.571 | 20% | 0.203 | S | C | * | . | trans | -105.2 | 143.7 | 176.5 | -58.6 | -177.9 | 0 | 0 | 0 | 111.2 | L296 G299 G303 G308 M360 | L296-L301 HydrophobicContact CD2-CD2 4.37Å; G299-L301 PolarHBondContact O-N 3.22Å; L301-G303 PolarHBondContact O-N 2.94Å; L301-G308 WeakPolarHBondContact O-CA 3.46Å; L301-M360 HydrophobicContact CD2-CE 4.25Å | ||
| 302 | P | 96.3 | Very high | 95.2 | Very high | 15 Ų | 15 | 39.4 Ų | 39.4 | 10% | 0.097 | 22% | 0.216 | C | C | . | . | trans | -58.7 | 122.5 | 176.2 | -22.4 | 33.2 | 0 | 0 | 0 | 111.2 | L311 R312 I315 M360 E364 | P302-L311 HydrophobicContact CG-CD2 4.05Å; P302-L311 HydrophobicContact CG-CG 4.27Å; P302-R312 HydrophobicContact CB-CB 4.09Å; P302-R312 PolarHBondContact O-NH2 3.38Å; P302-I315 HydrophobicContact CB-CD1 4.41Å; P302-I315 HydrophobicContact CG-CD1 3.68Å; P302-M360 HydrophobicContact CG-CG 4.3Å; P302-M360 HydrophobicContact CG-SD 4.24Å; P302-E364 HydrophobicContact CB-CG 4.14Å; P302-E364 HydrophobicContact CG-CG 3.93Å | ||
| 303 | G | 92.9 | Very high | 94.9 | Very high | 20 Ų | 20 | 41.4 Ų | 41.4 | 21% | 0.206 | 23% | 0.225 | C | C | . | . | trans | -149.8 | -176.3 | -171.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | L301 G308 Y309 R312 | L301-G303 PolarHBondContact O-N 2.94Å; G303-G308 VanDerWaalsContact N-C 3.32Å; G303-G308 PolarHBondContact N-O 2.91Å; G303-G308 CarbonylContact O-C 3.58Å; G303-Y309 VanDerWaalsContact O-CA 3.23Å; G303-Y309 WeakPolarHBondContact O-CA 3.31Å; G303-Y309 PolarHBondContact O-N 3.42Å; G303-R312 PolarHBondContact O-NE 3.12Å | ||
| 304 | A | 87.4 | Confident | 94.8 | Very high | 71 Ų | 71 | 41.5 Ų | 41.5 | 59% | 0.587 | 23% | 0.226 | S | C | * | . | S | Bend | trans | -87.4 | -12.4 | -179 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 305 | H | 89 | Confident | 94.6 | Very high | 153 Ų | 153 | 41.5 Ų | 41.5 | 71% | 0.708 | 23% | 0.226 | S | C | * | . | S | Bend | trans | -131.9 | 154.6 | -171.1 | -53.4 | -59.3 | 0 | 0 | 0 | 112.9 | S307 G308 Y309 | H305-S307 PolarHBondContact O-N 3.29Å; H305-G308 PolarHBondContact O-N 3.07Å; H305-G308 VanDerWaalsContact O-N 3.12Å; H305-Y309 PolarHBondContact O-N 3.15Å |
| 306 | R | 90.3 | Very high | 94.4 | Very high | 139 Ų | 139 | 43.1 Ų | 43.1 | 53% | 0.525 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | 46 | -130.3 | 171.4 | -59.5 | -164.3 | 71 | -174.4 | -0.8 | 112.9 | G38 L40 L41 G308 Y309 V310 | G38-R306 PolarHBondContact O-NH2 2.87Å; G38-R306 VanDerWaalsContact O-NH2 3.14Å; L40-R306 PolarHBondContact O-NH2 3.44Å; L41-R306 HydrophobicContact CD2-CB 3.74Å; L41-R306 HydrophobicContact CD2-CG 4.21Å; R306-G308 VanDerWaalsContact C-N 3.26Å; R306-G308 PolarHBondContact O-N 3.11Å; R306-Y309 WeakPolarHBondContact O-CB 3.15Å; R306-Y309 PolarHBondContact O-N 2.82Å; R306-Y309 VanDerWaalsContact O-N 3.15Å; R306-V310 PolarHBondContact O-N 3.37Å |
| 307 | S | 94.2 | Very high | 94.1 | Very high | 20 Ų | 20 | 42.9 Ų | 42.9 | 14% | 0.14 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -62.5 | -32.7 | -177.6 | -38.1 | 0 | 0 | 0 | 0 | 112.3 | L41 H305 V310 L311 | L41-S307 WeakPolarHBondContact O-CB 3.25Å; L41-S307 PolarHBondContact O-OG 3.18Å; H305-S307 PolarHBondContact O-N 3.29Å; S307-V310 PolarHBondContact O-N 3.46Å; S307-L311 WeakPolarHBondContact O-CB 3.23Å; S307-L311 PolarHBondContact O-N 3.04Å |
| 308 | G | 95.2 | Very high | 93.9 | Very high | 10 Ų | 10 | 42.9 Ų | 42.9 | 10% | 0.103 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -66.7 | -36.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | L301 G303 H305 R306 R312 | L301-G308 WeakPolarHBondContact O-CA 3.46Å; G303-G308 VanDerWaalsContact N-C 3.32Å; G303-G308 PolarHBondContact N-O 2.91Å; G303-G308 CarbonylContact O-C 3.58Å; H305-G308 PolarHBondContact O-N 3.07Å; H305-G308 VanDerWaalsContact O-N 3.12Å; R306-G308 VanDerWaalsContact C-N 3.26Å; R306-G308 PolarHBondContact O-N 3.11Å; G308-R312 WeakPolarHBondContact O-CB 3.11Å; G308-R312 PolarHBondContact O-N 3.45Å |
| 309 | Y | 92.1 | Very high | 93.7 | Very high | 88 Ų | 88 | 42 Ų | 42 | 35% | 0.345 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -64.1 | -47.6 | 172.8 | 173.9 | -98.9 | 0 | 0 | 0 | 111.5 | G303 H305 R306 R312 K313 Y400 | G303-Y309 VanDerWaalsContact O-CA 3.23Å; G303-Y309 WeakPolarHBondContact O-CA 3.31Å; G303-Y309 PolarHBondContact O-N 3.42Å; H305-Y309 PolarHBondContact O-N 3.15Å; R306-Y309 WeakPolarHBondContact O-CB 3.15Å; R306-Y309 PolarHBondContact O-N 2.82Å; R306-Y309 VanDerWaalsContact O-N 3.15Å; Y309-R312 PolarHBondContact O-N 3.14Å; Y309-K313 WeakPolarHBondContact O-CB 3.2Å; Y309-K313 PolarHBondContact O-N 3.27Å; Y309-Y400 PolarHBondContact OH-OH 3.28Å |
| 310 | V | 93.7 | Very high | 93.5 | Very high | 13 Ų | 13 | 39.8 Ų | 39.8 | 8% | 0.079 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -60.5 | -48.4 | 177.6 | 172.7 | 0 | 0 | 0 | 0 | 110.4 | L41 F42 L79 L82 M291 R306 S307 R312 K313 T314 | L41-V310 HydrophobicContact CD1-CG2 3.78Å; F42-V310 HydrophobicContact CD2-CG1 4.24Å; F42-V310 HydrophobicContact CE2-CB 3.88Å; F42-V310 HydrophobicContact CE2-CG1 3.69Å; L79-V310 HydrophobicContact CD2-CG1 3.57Å; L79-V310 HydrophobicContact CD2-CG2 4.44Å; L82-V310 HydrophobicContact CD1-CG1 3.8Å; M291-V310 HydrophobicContact CE-CG1 4.11Å; R306-V310 PolarHBondContact O-N 3.37Å; S307-V310 PolarHBondContact O-N 3.46Å; V310-R312 VanDerWaalsContact C-N 3.34Å; V310-R312 PolarHBondContact O-N 3.02Å; V310-K313 WeakPolarHBondContact O-CB 3.35Å; V310-K313 PolarHBondContact O-N 2.98Å; V310-K313 VanDerWaalsContact O-N 3.14Å; V310-T314 PolarHBondContact O-N 2.92Å; V310-T314 PolarHBondContact O-OG1 2.87Å |
| 311 | L | 96.5 | Very high | 93.3 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -56.8 | -47.4 | 177.2 | 177.7 | 58.8 | 0 | 0 | 0 | 111.5 | M291 C292 A295 L296 V300 P302 S307 K313 T314 I315 | M291-L311 HydrophobicContact SD-CD1 4.35Å; C292-L311 HydrophobicContact CB-CD1 4.01Å; A295-L311 HydrophobicContact CB-CD1 3.88Å; A295-L311 HydrophobicContact CB-CD2 4.29Å; L296-L311 HydrophobicContact CD2-CD2 4.1Å; L296-L311 HydrophobicContact CG-CD2 4.17Å; V300-L311 HydrophobicContact CB-CD2 4.13Å; V300-L311 HydrophobicContact CG1-CB 4.18Å; V300-L311 HydrophobicContact CG1-CD2 3.81Å; V300-L311 WeakPolarHBondContact O-CD2 3.42Å; P302-L311 HydrophobicContact CG-CD2 4.05Å; P302-L311 HydrophobicContact CG-CG 4.27Å; S307-L311 WeakPolarHBondContact O-CB 3.23Å; S307-L311 PolarHBondContact O-N 3.04Å; L311-K313 PolarHBondContact O-N 3.43Å; L311-T314 PolarHBondContact O-N 2.96Å; L311-I315 HydrophobicContact CD1-CD1 3.96Å; L311-I315 HydrophobicContact CD1-CG1 4.15Å; L311-I315 HydrophobicContact CG-CD1 3.91Å; L311-I315 HydrophobicContact CG-CG1 4.5Å; L311-I315 WeakPolarHBondContact O-CG1 3.27Å; L311-I315 PolarHBondContact O-N 2.87Å |
| 312 | R | 94.5 | Very high | 93.1 | Very high | 73 Ų | 73 | 34.5 Ų | 34.5 | 28% | 0.275 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -59.6 | -43.8 | 176.2 | -175.8 | 178.5 | -68.3 | -130.8 | -8.3 | 111.9 | P302 G303 G308 Y309 V310 T314 R316 E364 | P302-R312 HydrophobicContact CB-CB 4.09Å; P302-R312 PolarHBondContact O-NH2 3.38Å; G303-R312 PolarHBondContact O-NE 3.12Å; G308-R312 WeakPolarHBondContact O-CB 3.11Å; G308-R312 PolarHBondContact O-N 3.45Å; Y309-R312 PolarHBondContact O-N 3.14Å; V310-R312 VanDerWaalsContact C-N 3.34Å; V310-R312 PolarHBondContact O-N 3.02Å; R312-T314 VanDerWaalsContact C-N 3.35Å; R312-T314 PolarHBondContact O-N 3.02Å; R312-R316 WeakPolarHBondContact O-CB 3.47Å; R312-R316 VanDerWaalsContact O-CG 3.23Å; R312-R316 WeakPolarHBondContact O-CG 3.38Å; R312-R316 PolarHBondContact O-N 3.42Å; R312-E364 IonicContact NH2-OE1 3.37Å |
| 313 | K | 92.1 | Very high | 92.8 | Very high | 43 Ų | 43 | 34.7 Ų | 34.7 | 19% | 0.187 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -59 | -46.3 | 175.9 | -176.8 | -171.3 | 169.8 | -168.5 | 0 | 110.7 | D83 Y309 V310 L311 R316 R317 P406 | D83-K313 WeakPolarHBondContact OD1-CE 3.25Å; D83-K313 IonicContact OD1-NZ 3.35Å; D83-K313 PolarHBondContact OD1-NZ 3.4Å; D83-K313 IonicContact OD2-NZ 2.95Å; D83-K313 PolarHBondContact OD2-NZ 3.01Å; Y309-K313 WeakPolarHBondContact O-CB 3.2Å; Y309-K313 PolarHBondContact O-N 3.27Å; V310-K313 WeakPolarHBondContact O-CB 3.35Å; V310-K313 PolarHBondContact O-N 2.98Å; V310-K313 VanDerWaalsContact O-N 3.14Å; L311-K313 PolarHBondContact O-N 3.43Å; K313-R316 PolarHBondContact O-N 2.84Å; K313-R317 PolarHBondContact O-N 2.91Å; K313-P406 HydrophobicContact CG-CB 4.04Å; K313-P406 HydrophobicContact CG-CG 4.23Å |
| 314 | T | 95.3 | Very high | 92.5 | Very high | 3 Ų | 3 | 36.8 Ų | 36.8 | 2% | 0.018 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -64.2 | -46.8 | -179.7 | -54.1 | 0 | 0 | 0 | 0 | 112 | L82 H288 M291 V310 L311 R312 R316 R317 A318 | L82-T314 HydrophobicContact CD2-CG2 4.09Å; L82-T314 WeakPolarHBondContact CD2-OG1 3.37Å; H288-T314 HydrophobicContact CB-CG2 3.67Å; M291-T314 HydrophobicContact SD-CG2 3.75Å; V310-T314 PolarHBondContact O-N 2.92Å; V310-T314 PolarHBondContact O-OG1 2.87Å; L311-T314 PolarHBondContact O-N 2.96Å; R312-T314 VanDerWaalsContact C-N 3.35Å; R312-T314 PolarHBondContact O-N 3.02Å; T314-R316 VanDerWaalsContact C-N 3.34Å; T314-R316 PolarHBondContact O-N 3.3Å; T314-R317 PolarHBondContact O-N 3.22Å; T314-A318 PolarHBondContact O-N 3.26Å |
| 315 | I | 95.2 | Very high | 92.5 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -57 | -49 | 175.2 | -68.7 | 169.4 | 0 | 0 | 0 | 110.1 | C292 P302 L311 R317 A318 I319 L361 E364 | C292-I315 HydrophobicContact CB-CG1 4.24Å; C292-I315 WeakPolarHBondContact SG-CG1 3.25Å; P302-I315 HydrophobicContact CB-CD1 4.41Å; P302-I315 HydrophobicContact CG-CD1 3.68Å; L311-I315 HydrophobicContact CD1-CD1 3.96Å; L311-I315 HydrophobicContact CD1-CG1 4.15Å; L311-I315 HydrophobicContact CG-CD1 3.91Å; L311-I315 HydrophobicContact CG-CG1 4.5Å; L311-I315 WeakPolarHBondContact O-CG1 3.27Å; L311-I315 PolarHBondContact O-N 2.87Å; I315-R317 VanDerWaalsContact C-N 3.33Å; I315-R317 PolarHBondContact O-N 3.49Å; I315-A318 WeakPolarHBondContact O-CB 3.44Å; I315-A318 PolarHBondContact O-N 3.37Å; I315-A318 VanDerWaalsContact O-N 3.14Å; I315-I319 HydrophobicContact CG2-CD1 3.6Å; I315-I319 HydrophobicContact CG2-CG1 4.3Å; I315-I319 VanDerWaalsContact O-CG1 3.3Å; I315-I319 WeakPolarHBondContact O-CG1 3.43Å; I315-I319 PolarHBondContact O-N 3.04Å; I315-L361 HydrophobicContact CD1-CD1 4.21Å; I315-L361 HydrophobicContact CG1-CD1 3.98Å; I315-L361 HydrophobicContact CG2-CD1 3.94Å; I315-E364 HydrophobicContact CD1-CG 4.41Å; I315-E364 HydrophobicContact CG2-CB 3.86Å |
| 316 | R | 93 | Very high | 92.3 | Very high | 33 Ų | 33 | 29.2 Ų | 29.2 | 13% | 0.125 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -63.4 | -36.4 | -179.3 | -72.1 | 179.9 | 177.6 | -170.2 | -2.6 | 113.3 | R312 K313 T314 I319 Y320 F368 G404 P406 | R312-R316 WeakPolarHBondContact O-CB 3.47Å; R312-R316 VanDerWaalsContact O-CG 3.23Å; R312-R316 WeakPolarHBondContact O-CG 3.38Å; R312-R316 PolarHBondContact O-N 3.42Å; K313-R316 PolarHBondContact O-N 2.84Å; T314-R316 VanDerWaalsContact C-N 3.34Å; T314-R316 PolarHBondContact O-N 3.3Å; R316-I319 PolarHBondContact O-N 2.97Å; R316-Y320 WeakPolarHBondContact O-CB 3.31Å; R316-Y320 PolarHBondContact O-N 3.41Å; R316-F368 HydrophobicContact CB-CD1 3.95Å; R316-F368 HydrophobicContact CB-CD2 4.4Å; R316-F368 HydrophobicContact CB-CE1 3.68Å; R316-F368 HydrophobicContact CB-CE2 4.15Å; R316-F368 HydrophobicContact CB-CG 4.31Å; R316-F368 HydrophobicContact CB-CZ 3.79Å; R316-F368 HydrophobicContact CG-CB 4.31Å; R316-F368 HydrophobicContact CG-CD1 3.79Å; R316-F368 HydrophobicContact CG-CD2 3.69Å; R316-F368 HydrophobicContact CG-CE1 3.96Å; R316-F368 HydrophobicContact CG-CE2 3.86Å; R316-F368 HydrophobicContact CG-CG 3.65Å; R316-F368 HydrophobicContact CG-CZ 4Å; R316-F368 VanDerWaalsContact O-CE1 3.32Å; R316-F368 WeakPolarHBondContact O-CE1 3.47Å; R316-G404 VanDerWaalsContact NH1-CA 3.34Å; R316-G404 PolarHBondContact NH1-O 3.49Å; R316-P406 HydrophobicContact CB-CG 3.93Å |
| 317 | R | 92.5 | Very high | 91.6 | Very high | 13 Ų | 13 | 27 Ų | 27 | 5% | 0.049 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -63.8 | -45.2 | 172.6 | 174.1 | 170.2 | 168.7 | 145.3 | 0.6 | 111.3 | L82 D83 V85 I284 H288 K313 T314 I315 I319 Y320 S321 | L82-R317 PolarHBondContact O-NE 2.88Å; L82-R317 PolarHBondContact O-NH1 3.17Å; D83-R317 PolarHBondContact O-NH1 3.46Å; D83-R317 PolarHBondContact O-NH2 3.22Å; D83-R317 IonicContact OD1-NH1 3.6Å; V85-R317 PolarHBondContact O-NH2 2.78Å; I284-R317 HydrophobicContact CG2-CG 3.87Å; H288-R317 WeakPolarHBondContact NE2-CD 3.47Å; H288-R317 PolarHBondContact NE2-NE 3.32Å; K313-R317 PolarHBondContact O-N 2.91Å; T314-R317 PolarHBondContact O-N 3.22Å; I315-R317 VanDerWaalsContact C-N 3.33Å; I315-R317 PolarHBondContact O-N 3.49Å; R317-I319 VanDerWaalsContact C-N 3.32Å; R317-I319 PolarHBondContact O-N 3.37Å; R317-Y320 PolarHBondContact O-N 3.13Å; R317-S321 PolarHBondContact O-N 3.01Å; R317-S321 PolarHBondContact O-OG 3.2Å |
| 318 | A | 94.8 | Very high | 90.8 | Very high | 2 Ų | 2 | 32.6 Ų | 32.6 | 2% | 0.017 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -60.6 | -41.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | H288 T314 I315 S321 A322 L332 | H288-A318 HydrophobicContact CB-CB 3.96Å; T314-A318 PolarHBondContact O-N 3.26Å; I315-A318 WeakPolarHBondContact O-CB 3.44Å; I315-A318 PolarHBondContact O-N 3.37Å; I315-A318 VanDerWaalsContact O-N 3.14Å; A318-S321 PolarHBondContact O-N 3.31Å; A318-A322 WeakPolarHBondContact O-CB 3.42Å; A318-A322 PolarHBondContact O-N 2.99Å; A318-L332 HydrophobicContact CB-CD1 3.7Å |
| 319 | I | 92.8 | Very high | 89.9 | Confident | 12 Ų | 12 | 40 Ų | 40 | 6% | 0.062 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -64.5 | -42.2 | 177.2 | -64 | 161.9 | 0 | 0 | 0 | 110.9 | I315 R316 R317 A322 S323 L332 E365 F368 | I315-I319 HydrophobicContact CG2-CD1 3.6Å; I315-I319 HydrophobicContact CG2-CG1 4.3Å; I315-I319 VanDerWaalsContact O-CG1 3.3Å; I315-I319 WeakPolarHBondContact O-CG1 3.43Å; I315-I319 PolarHBondContact O-N 3.04Å; R316-I319 PolarHBondContact O-N 2.97Å; R317-I319 VanDerWaalsContact C-N 3.32Å; R317-I319 PolarHBondContact O-N 3.37Å; I319-A322 WeakPolarHBondContact O-CB 3.4Å; I319-A322 PolarHBondContact O-N 3.43Å; I319-S323 WeakPolarHBondContact O-CB 3.47Å; I319-S323 PolarHBondContact O-N 2.99Å; I319-L332 HydrophobicContact CB-CD1 4.31Å; I319-L332 HydrophobicContact CG1-CD1 3.49Å; I319-L332 VanDerWaalsContact CG1-CD1 3.49Å; I319-E365 HydrophobicContact CD1-CB 4.41Å; I319-E365 HydrophobicContact CD1-CG 4.17Å; I319-E365 HydrophobicContact CG1-CG 4.04Å; I319-F368 HydrophobicContact CB-CD1 3.84Å; I319-F368 HydrophobicContact CB-CE1 4.35Å; I319-F368 HydrophobicContact CD1-CB 3.99Å; I319-F368 HydrophobicContact CD1-CD1 3.96Å; I319-F368 HydrophobicContact CD1-CG 4.41Å; I319-F368 HydrophobicContact CG2-CD1 3.72Å; I319-F368 HydrophobicContact CG2-CE1 4.38Å |
| 320 | Y | 91.1 | Very high | 89.7 | Confident | 7 Ų | 7 | 37.8 Ų | 37.8 | 3% | 0.027 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -61.2 | -47.9 | 175.8 | 177.8 | -102.9 | 0 | 0 | 0 | 111.3 | R316 R317 A322 S323 M324 L372 V409 D412 L413 | R316-Y320 WeakPolarHBondContact O-CB 3.31Å; R316-Y320 PolarHBondContact O-N 3.41Å; R317-Y320 PolarHBondContact O-N 3.13Å; Y320-A322 VanDerWaalsContact C-N 3.32Å; Y320-A322 PolarHBondContact O-N 3.1Å; Y320-S323 WeakPolarHBondContact O-CA 3.41Å; Y320-S323 WeakPolarHBondContact O-CB 3.47Å; Y320-S323 PolarHBondContact O-N 3.05Å; Y320-S323 PolarHBondContact O-OG 3.47Å; Y320-M324 HydrophobicContact CD1-CG 4.27Å; Y320-M324 HydrophobicContact CE1-CG 3.84Å; Y320-M324 HydrophobicContact CE1-SD 4.21Å; Y320-M324 HydrophobicContact CE2-CG 4.44Å; Y320-M324 HydrophobicContact CE2-SD 4.16Å; Y320-M324 WeakPolarHBondContact O-CG 3.41Å; Y320-M324 PolarHBondContact O-N 3.02Å; Y320-L372 HydrophobicContact CD2-CD1 3.81Å; Y320-L372 HydrophobicContact CD2-CD2 3.97Å; Y320-L372 HydrophobicContact CE2-CD1 4.26Å; Y320-V409 HydrophobicContact CD1-CB 4.11Å; Y320-V409 HydrophobicContact CD1-CG1 3.85Å; Y320-V409 HydrophobicContact CD1-CG2 3.57Å; Y320-V409 HydrophobicContact CD2-CB 4.35Å; Y320-V409 HydrophobicContact CD2-CG1 3.3Å; Y320-V409 HydrophobicContact CD2-CG2 4.25Å; Y320-V409 HydrophobicContact CE1-CB 4.36Å; Y320-V409 HydrophobicContact CE1-CG1 3.97Å; Y320-V409 HydrophobicContact CE1-CG2 4.28Å; Y320-V409 HydrophobicContact CE2-CG1 3.45Å; Y320-V409 VanDerWaalsContact CE2-CG1 3.45Å; Y320-V409 HydrophobicContact CG-CB 4.07Å; Y320-V409 HydrophobicContact CG-CG1 3.49Å; Y320-V409 VanDerWaalsContact CG-CG1 3.49Å; Y320-V409 HydrophobicContact CG-CG2 3.52Å; Y320-D412 HydrophobicContact CE1-CB 4.26Å; Y320-D412 VanDerWaalsContact CE1-OD2 3.23Å; Y320-D412 WeakPolarHBondContact CE1-OD2 3.49Å; Y320-D412 VanDerWaalsContact CZ-OD2 3.3Å; Y320-D412 PolarHBondContact OH-OD2 3.35Å; Y320-L413 HydrophobicContact CE2-CD2 4.36Å; Y320-L413 HydrophobicContact CE2-CG 4.36Å |
| 321 | S | 92.6 | Very high | 89.7 | Confident | 4 Ų | 4 | 37.3 Ų | 37.3 | 3% | 0.028 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -58.8 | -41.6 | 175.8 | -74.3 | 0 | 0 | 0 | 0 | 112.5 | N281 I284 R317 A318 S323 M324 I325 | N281-S321 WeakPolarHBondContact OD1-CA 3.4Å; N281-S321 WeakPolarHBondContact OD1-CB 3.26Å; N281-S321 PolarHBondContact OD1-OG 3.28Å; I284-S321 WeakPolarHBondContact CG2-OG 3.48Å; R317-S321 PolarHBondContact O-N 3.01Å; R317-S321 PolarHBondContact O-OG 3.2Å; A318-S321 PolarHBondContact O-N 3.31Å; S321-S323 VanDerWaalsContact C-N 3.34Å; S321-S323 PolarHBondContact O-N 2.77Å; S321-M324 WeakPolarHBondContact O-CB 3.46Å; S321-M324 PolarHBondContact O-N 2.85Å; S321-I325 PolarHBondContact O-N 3.25Å |
| 322 | A | 93.2 | Very high | 89.6 | Confident | 5 Ų | 5 | 37.3 Ų | 37.3 | 4% | 0.041 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -59.6 | -43.7 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | I285 A318 I319 Y320 M324 I325 F326 F331 L332 | I285-A322 HydrophobicContact CD1-CB 4.05Å; I285-A322 HydrophobicContact CG1-CB 4.47Å; A318-A322 WeakPolarHBondContact O-CB 3.42Å; A318-A322 PolarHBondContact O-N 2.99Å; I319-A322 WeakPolarHBondContact O-CB 3.4Å; I319-A322 PolarHBondContact O-N 3.43Å; Y320-A322 VanDerWaalsContact C-N 3.32Å; Y320-A322 PolarHBondContact O-N 3.1Å; A322-M324 PolarHBondContact O-N 2.84Å; A322-I325 VanDerWaalsContact O-CG1 3.31Å; A322-I325 WeakPolarHBondContact O-CG1 3.42Å; A322-I325 PolarHBondContact O-N 3.08Å; A322-F326 CarbonylContact O-C 3.54Å; A322-F326 PolarHBondContact O-N 2.87Å; A322-F331 HydrophobicContact CB-CE1 3.66Å; A322-F331 HydrophobicContact CB-CE2 4.19Å; A322-F331 HydrophobicContact CB-CZ 3.43Å; A322-F331 VanDerWaalsContact CB-CZ 3.43Å; A322-L332 HydrophobicContact CB-CD2 4.08Å |
| 323 | S | 89.5 | Confident | 89.7 | Confident | 20 Ų | 20 | 35.8 Ų | 35.8 | 14% | 0.14 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -66.5 | -22.5 | 178.6 | 84.5 | 0 | 0 | 0 | 0 | 114.1 | I319 Y320 S321 L372 | I319-S323 WeakPolarHBondContact O-CB 3.47Å; I319-S323 PolarHBondContact O-N 2.99Å; Y320-S323 WeakPolarHBondContact O-CA 3.41Å; Y320-S323 WeakPolarHBondContact O-CB 3.47Å; Y320-S323 PolarHBondContact O-N 3.05Å; Y320-S323 PolarHBondContact O-OG 3.47Å; S321-S323 VanDerWaalsContact C-N 3.34Å; S321-S323 PolarHBondContact O-N 2.77Å; S323-L372 WeakPolarHBondContact OG-CD2 3.34Å |
| 324 | M | 87.2 | Confident | 89.9 | Confident | 64 Ų | 64 | 37 Ų | 37 | 32% | 0.315 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -75.8 | -32.1 | 177.4 | -73.6 | -56.8 | -43.3 | 0 | 0 | 112.2 | Y320 S321 A322 K416 | Y320-M324 HydrophobicContact CD1-CG 4.27Å; Y320-M324 HydrophobicContact CE1-CG 3.84Å; Y320-M324 HydrophobicContact CE1-SD 4.21Å; Y320-M324 HydrophobicContact CE2-CG 4.44Å; Y320-M324 HydrophobicContact CE2-SD 4.16Å; Y320-M324 WeakPolarHBondContact O-CG 3.41Å; Y320-M324 PolarHBondContact O-N 3.02Å; S321-M324 WeakPolarHBondContact O-CB 3.46Å; S321-M324 PolarHBondContact O-N 2.85Å; A322-M324 PolarHBondContact O-N 2.84Å; M324-K416 HydrophobicContact CE-CD 4.33Å |
| 325 | I | 87.7 | Confident | 90 | Very high | 21 Ų | 21 | 36.9 Ų | 36.9 | 11% | 0.108 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -97.2 | -30.2 | -179.8 | 63 | -179.3 | 0 | 0 | 0 | 112.3 | I257 L263 V278 N281 Y282 I285 S321 A322 F331 | I257-I325 HydrophobicContact CG2-CD1 4.31Å; L263-I325 HydrophobicContact CD1-CB 3.63Å; L263-I325 HydrophobicContact CD1-CD1 3.56Å; L263-I325 HydrophobicContact CD1-CG1 3.68Å; V278-I325 HydrophobicContact CG1-CG2 4.37Å; N281-I325 HydrophobicContact CB-CG2 3.63Å; Y282-I325 HydrophobicContact CD2-CD1 4.11Å; Y282-I325 HydrophobicContact CE2-CD1 4.13Å; I285-I325 HydrophobicContact CD1-CD1 3.45Å; I285-I325 VanDerWaalsContact CD1-CD1 3.45Å; I285-I325 HydrophobicContact CD1-CG1 4.36Å; S321-I325 PolarHBondContact O-N 3.25Å; A322-I325 VanDerWaalsContact O-CG1 3.31Å; A322-I325 WeakPolarHBondContact O-CG1 3.42Å; A322-I325 PolarHBondContact O-N 3.08Å; I325-F331 HydrophobicContact CD1-CZ 4.33Å |
| 326 | F | 84.7 | Confident | 90.1 | Very high | 44 Ų | 44 | 36.9 Ų | 36.9 | 19% | 0.193 | 19% | 0.185 | C | C | . | . | trans | -151.1 | 89.7 | 179.5 | -164.8 | -112.3 | 0 | 0 | 0 | 111.6 | A261 A322 D328 R329 F331 | A261-F326 HydrophobicContact CB-CB 4.1Å; A261-F326 HydrophobicContact CB-CG 4.38Å; A261-F326 WeakPolarHBondContact O-CD2 3.44Å; A322-F326 CarbonylContact O-C 3.54Å; A322-F326 PolarHBondContact O-N 2.87Å; F326-D328 VanDerWaalsContact C-N 3.29Å; F326-D328 PolarHBondContact O-N 2.8Å; F326-R329 HydrophobicContact CD1-CB 4.03Å; F326-R329 HydrophobicContact CD1-CG 4.42Å; F326-R329 HydrophobicContact CE1-CB 3.7Å; F326-R329 HydrophobicContact CE1-CG 3.61Å; F326-R329 HydrophobicContact CZ-CG 4.44Å; F326-F331 HydrophobicContact CB-CE1 4.14Å; F326-F331 HydrophobicContact CD1-CD1 4.49Å; F326-F331 HydrophobicContact CD1-CE1 4.5Å | ||
| 327 | P | 75.6 | Confident | 90.4 | Very high | 91 Ų | 91 | 36 Ų | 36 | 59% | 0.591 | 19% | 0.185 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.8 | -17.4 | -169.4 | 26.3 | -34.6 | 0 | 0 | 0 | 115.3 | ||
| 328 | D | 76.9 | Confident | 90.7 | Very high | 138 Ų | 138 | 39.5 Ų | 39.5 | 74% | 0.738 | 20% | 0.198 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -95.5 | -2.6 | -164.6 | -63.4 | -37.2 | 0 | 0 | 0 | 115.1 | F326 | F326-D328 VanDerWaalsContact C-N 3.29Å; F326-D328 PolarHBondContact O-N 2.8Å |
| 329 | R | 77.8 | Confident | 90.8 | Very high | 165 Ų | 165 | 39.4 Ų | 39.4 | 62% | 0.623 | 20% | 0.197 | S | C | * | . | trans | -146.4 | 145.2 | -179.5 | -62.6 | -171.5 | -175 | -158.9 | -7.5 | 114.3 | F326 F331 | F326-R329 HydrophobicContact CD1-CB 4.03Å; F326-R329 HydrophobicContact CD1-CG 4.42Å; F326-R329 HydrophobicContact CE1-CB 3.7Å; F326-R329 HydrophobicContact CE1-CG 3.61Å; F326-R329 HydrophobicContact CZ-CG 4.44Å; R329-F331 WeakPolarHBondContact O-CD1 3.48Å | ||
| 330 | S | 86.9 | Confident | 91.1 | Very high | 43 Ų | 43 | 38.9 Ų | 38.9 | 30% | 0.301 | 19% | 0.194 | S | C | . | . | trans | -78.4 | 129.8 | 161.4 | -58.3 | 0 | 0 | 0 | 0 | 109.6 | H333 E365 | S330-H333 PolarHBondContact O-CE1 3.17Å; S330-E365 WeakPolarHBondContact CA-OE1 3.33Å; S330-E365 WeakPolarHBondContact CB-OE1 3.23Å | ||
| 331 | F | 93.4 | Very high | 91.5 | Very high | 2 Ų | 2 | 41.7 Ų | 41.7 | 1% | 0.009 | 21% | 0.21 | C | C | . | . | trans | -146.9 | -0.9 | -177.4 | 64.8 | -98.5 | 0 | 0 | 0 | 113.9 | V260 A261 I285 A322 I325 F326 R329 H333 Q334 V335 E365 | V260-F331 HydrophobicContact CB-CB 4.22Å; V260-F331 HydrophobicContact CG2-CB 3.78Å; V260-F331 HydrophobicContact CG2-CD2 3.44Å; V260-F331 VanDerWaalsContact CG2-CD2 3.44Å; V260-F331 HydrophobicContact CG2-CE2 4.23Å; V260-F331 HydrophobicContact CG2-CG 3.8Å; A261-F331 HydrophobicContact CB-CE1 4.22Å; A261-F331 HydrophobicContact CB-CE2 4.46Å; A261-F331 HydrophobicContact CB-CZ 4.1Å; I285-F331 HydrophobicContact CD1-CE2 4.36Å; I285-F331 HydrophobicContact CD1-CZ 4.23Å; A322-F331 HydrophobicContact CB-CE1 3.66Å; A322-F331 HydrophobicContact CB-CE2 4.19Å; A322-F331 HydrophobicContact CB-CZ 3.43Å; A322-F331 VanDerWaalsContact CB-CZ 3.43Å; I325-F331 HydrophobicContact CD1-CZ 4.33Å; F326-F331 HydrophobicContact CB-CE1 4.14Å; F326-F331 HydrophobicContact CD1-CD1 4.49Å; F326-F331 HydrophobicContact CD1-CE1 4.5Å; R329-F331 WeakPolarHBondContact O-CD1 3.48Å; F331-H333 VanDerWaalsContact C-N 3.28Å; F331-H333 PolarHBondContact O-N 2.76Å; F331-Q334 WeakPolarHBondContact O-CB 3.41Å; F331-Q334 PolarHBondContact O-N 2.93Å; F331-V335 HydrophobicContact CD2-CG2 3.85Å; F331-V335 HydrophobicContact CE2-CG2 4.24Å; F331-V335 PolarHBondContact O-N 3.25Å; F331-E365 PolarHBondContact N-OE1 3.44Å | ||
| 332 | L | 95.2 | Very high | 91.7 | Very high | 1 Ų | 1 | 42.8 Ų | 42.8 | 1% | 0.005 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -64.8 | -33 | -179.3 | -59.6 | -173.9 | 0 | 0 | 0 | 112.2 | I285 A318 I319 A322 Q334 V335 V336 E365 | I285-L332 HydrophobicContact CG1-CD2 4.38Å; I285-L332 HydrophobicContact CG2-CD2 3.63Å; A318-L332 HydrophobicContact CB-CD1 3.7Å; I319-L332 HydrophobicContact CB-CD1 4.31Å; I319-L332 HydrophobicContact CG1-CD1 3.49Å; I319-L332 VanDerWaalsContact CG1-CD1 3.49Å; A322-L332 HydrophobicContact CB-CD2 4.08Å; L332-Q334 PolarHBondContact O-N 3.39Å; L332-V335 PolarHBondContact O-N 2.7Å; L332-V335 VanDerWaalsContact O-N 3.14Å; L332-V336 WeakPolarHBondContact O-CB 3.35Å; L332-V336 WeakPolarHBondContact O-CG2 3.23Å; L332-V336 PolarHBondContact O-N 3.09Å; L332-E365 VanDerWaalsContact CB-CD 3.5Å; L332-E365 HydrophobicContact CB-CG 4.16Å; L332-E365 WeakPolarHBondContact CB-OE1 3.4Å; L332-E365 HydrophobicContact CD1-CG 4.34Å; L332-E365 HydrophobicContact CG-CG 4.4Å; L332-E365 WeakPolarHBondContact CG-OE1 3.42Å; L332-E365 PolarHBondContact N-OE1 3.43Å; L332-E365 PolarHBondContact N-OE2 2.93Å |
| 333 | H | 95.2 | Very high | 92 | Very high | 41 Ų | 41 | 42.6 Ų | 42.6 | 19% | 0.19 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -56.9 | -36.6 | 172.1 | 61.6 | -81.4 | 0 | 0 | 0 | 112.6 | S330 F331 A337 L361 L362 E365 | S330-H333 PolarHBondContact O-CE1 3.17Å; F331-H333 VanDerWaalsContact C-N 3.28Å; F331-H333 PolarHBondContact O-N 2.76Å; H333-A337 WeakPolarHBondContact O-CB 3.27Å; H333-A337 PolarHBondContact O-N 3.16Å; H333-L361 HydrophobicContact CB-CB 4.47Å; H333-L362 HydrophobicContact CB-CB 4.23Å; H333-E365 IonicContact CE1-OE2 3.64Å; H333-E365 IonicContact CG-OE2 3.31Å; H333-E365 PolarHBondContact N-OE2 2.91Å; H333-E365 IonicContact ND1-OE2 3.92Å; H333-E365 PolarHBondContact ND1-OE2 3.11Å |
| 334 | Q | 96.4 | Very high | 92.3 | Very high | 68 Ų | 68 | 42.5 Ų | 42.5 | 32% | 0.318 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -71.4 | -40.6 | 174.2 | -71.4 | 168.5 | 83.5 | 0 | 0 | 111.7 | V260 F331 L332 V336 A337 R338 | V260-Q334 HydrophobicContact CG1-CB 4.02Å; F331-Q334 WeakPolarHBondContact O-CB 3.41Å; F331-Q334 PolarHBondContact O-N 2.93Å; L332-Q334 PolarHBondContact O-N 3.39Å; Q334-V336 VanDerWaalsContact C-N 3.32Å; Q334-V336 PolarHBondContact O-N 3.07Å; Q334-A337 WeakPolarHBondContact O-CB 3.33Å; Q334-A337 PolarHBondContact O-N 3.29Å; Q334-R338 PolarHBondContact O-N 2.92Å |
| 335 | V | 98 | Very high | 92.7 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -61.6 | -42 | 175.4 | -179.3 | 0 | 0 | 0 | 0 | 110.8 | I253 I257 V260 I285 C289 F331 L332 R338 V339 | I253-V335 HydrophobicContact CG2-CG1 3.66Å; I257-V335 HydrophobicContact CD1-CG1 4.43Å; I257-V335 HydrophobicContact CG1-CG1 4.08Å; I257-V335 HydrophobicContact CG1-CG2 3.81Å; V260-V335 HydrophobicContact CG2-CG2 4.34Å; I285-V335 HydrophobicContact CG2-CG1 4.18Å; I285-V335 HydrophobicContact CG2-CG2 4.37Å; C289-V335 HydrophobicContact CB-CG1 3.92Å; F331-V335 HydrophobicContact CD2-CG2 3.85Å; F331-V335 HydrophobicContact CE2-CG2 4.24Å; F331-V335 PolarHBondContact O-N 3.25Å; L332-V335 PolarHBondContact O-N 2.7Å; L332-V335 VanDerWaalsContact O-N 3.14Å; V335-R338 WeakPolarHBondContact O-CB 3.42Å; V335-R338 PolarHBondContact O-N 3.28Å; V335-V339 WeakPolarHBondContact O-CG2 3.2Å; V335-V339 PolarHBondContact O-N 3.49Å |
| 336 | V | 98.1 | Very high | 93.1 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -66.4 | -39.7 | 176.2 | 164.7 | 0 | 0 | 0 | 0 | 111.9 | C289 T293 L332 Q334 R338 V339 I340 I357 L361 | C289-V336 HydrophobicContact CB-CG2 3.79Å; T293-V336 HydrophobicContact CG2-CG1 4.36Å; T293-V336 VanDerWaalsContact OG1-CG1 3.31Å; T293-V336 WeakPolarHBondContact OG1-CG1 3.47Å; L332-V336 WeakPolarHBondContact O-CB 3.35Å; L332-V336 WeakPolarHBondContact O-CG2 3.23Å; L332-V336 PolarHBondContact O-N 3.09Å; Q334-V336 VanDerWaalsContact C-N 3.32Å; Q334-V336 PolarHBondContact O-N 3.07Å; V336-R338 PolarHBondContact O-N 3.38Å; V336-V339 WeakPolarHBondContact O-CB 3.32Å; V336-V339 PolarHBondContact O-N 2.85Å; V336-V339 VanDerWaalsContact O-N 3.13Å; V336-I340 HydrophobicContact CG1-CD1 4.37Å; V336-I340 WeakPolarHBondContact O-CG1 3.23Å; V336-I340 PolarHBondContact O-N 3.49Å; V336-I357 HydrophobicContact CG1-CG2 3.4Å; V336-L361 HydrophobicContact CG2-CG 4.14Å |
| 337 | A | 98.3 | Very high | 93.7 | Very high | 16 Ų | 16 | 40.9 Ų | 40.9 | 13% | 0.132 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -56.4 | -41.2 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | H333 Q334 I340 D341 R354 T358 | H333-A337 WeakPolarHBondContact O-CB 3.27Å; H333-A337 PolarHBondContact O-N 3.16Å; Q334-A337 WeakPolarHBondContact O-CB 3.33Å; Q334-A337 PolarHBondContact O-N 3.29Å; A337-I340 WeakPolarHBondContact O-CB 3.2Å; A337-I340 PolarHBondContact O-N 2.7Å; A337-D341 PolarHBondContact O-N 2.76Å; A337-R354 PolarHBondContact O-NH2 2.91Å; A337-T358 HydrophobicContact CB-CG2 4.07Å |
| 338 | R | 98.6 | Very high | 94.8 | Very high | 86 Ų | 86 | 40.8 Ų | 40.8 | 33% | 0.325 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -68.5 | -38.7 | 174.4 | -176.1 | 60.4 | 163.7 | 169.4 | -5.3 | 113.5 | P252 E256 Q334 V335 V336 I340 D341 V342 | P252-R338 WeakPolarHBondContact O-CG 3.37Å; P252-R338 PolarHBondContact O-NE 3.39Å; E256-R338 HydrophobicContact CB-CB 3.96Å; E256-R338 HydrophobicContact CB-CG 3.76Å; E256-R338 HydrophobicContact CG-CB 3.74Å; E256-R338 HydrophobicContact CG-CG 4.11Å; Q334-R338 PolarHBondContact O-N 2.92Å; V335-R338 WeakPolarHBondContact O-CB 3.42Å; V335-R338 PolarHBondContact O-N 3.28Å; V336-R338 PolarHBondContact O-N 3.38Å; R338-I340 VanDerWaalsContact C-N 3.26Å; R338-I340 PolarHBondContact O-N 3.01Å; R338-D341 PolarHBondContact O-N 2.9Å; R338-D341 VanDerWaalsContact O-N 3.15Å; R338-V342 WeakPolarHBondContact O-CG2 3.31Å; R338-V342 PolarHBondContact O-N 3.24Å |
| 339 | V | 98.7 | Very high | 95.6 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -55.4 | -45.5 | 172.5 | 168.9 | 0 | 0 | 0 | 0 | 110.2 | I253 C289 R290 T293 V335 V336 D341 V342 M343 | I253-V339 HydrophobicContact CD1-CG2 3.79Å; I253-V339 HydrophobicContact CG1-CG2 4.18Å; I253-V339 HydrophobicContact CG2-CG2 4.33Å; C289-V339 HydrophobicContact CB-CG2 4.08Å; R290-V339 HydrophobicContact CB-CG1 4.45Å; R290-V339 HydrophobicContact CG-CG1 4.06Å; R290-V339 HydrophobicContact CG-CG2 4.11Å; T293-V339 HydrophobicContact CG2-CG1 3.99Å; V335-V339 WeakPolarHBondContact O-CG2 3.2Å; V335-V339 PolarHBondContact O-N 3.49Å; V336-V339 WeakPolarHBondContact O-CB 3.32Å; V336-V339 PolarHBondContact O-N 2.85Å; V336-V339 VanDerWaalsContact O-N 3.13Å; V339-D341 VanDerWaalsContact C-N 3.29Å; V339-D341 PolarHBondContact O-N 2.69Å; V339-V342 PolarHBondContact O-N 3.43Å; V339-M343 HydrophobicContact CG1-CG 4.15Å; V339-M343 WeakPolarHBondContact O-CB 3.39Å; V339-M343 VanDerWaalsContact O-CG 3.23Å; V339-M343 WeakPolarHBondContact O-CG 3.42Å; V339-M343 PolarHBondContact O-N 3.46Å |
| 340 | I | 98.7 | Very high | 96.6 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -58.1 | -44.5 | 178 | -68.3 | 168.2 | 0 | 0 | 0 | 110.4 | T293 V336 A337 R338 V342 M343 A344 L350 Q351 R354 I357 | T293-I340 HydrophobicContact CG2-CD1 4.28Å; T293-I340 HydrophobicContact CG2-CG1 3.58Å; V336-I340 HydrophobicContact CG1-CD1 4.37Å; V336-I340 WeakPolarHBondContact O-CG1 3.23Å; V336-I340 PolarHBondContact O-N 3.49Å; A337-I340 WeakPolarHBondContact O-CB 3.2Å; A337-I340 PolarHBondContact O-N 2.7Å; R338-I340 VanDerWaalsContact C-N 3.26Å; R338-I340 PolarHBondContact O-N 3.01Å; I340-V342 PolarHBondContact O-N 3.25Å; I340-M343 PolarHBondContact O-N 3.11Å; I340-A344 WeakPolarHBondContact O-CA 3.46Å; I340-A344 VanDerWaalsContact O-CB 3.24Å; I340-A344 WeakPolarHBondContact O-CB 3.31Å; I340-A344 PolarHBondContact O-N 3.49Å; I340-L350 HydrophobicContact CG1-CB 4.4Å; I340-L350 HydrophobicContact CG2-CB 3.96Å; I340-Q351 HydrophobicContact CG2-CG 4.42Å; I340-R354 HydrophobicContact CD1-CB 4.09Å; I340-R354 HydrophobicContact CD1-CG 3.88Å; I340-I357 HydrophobicContact CD1-CD1 4.15Å |
| 341 | D | 98.4 | Very high | 97.1 | Very high | 66 Ų | 66 | 31 Ų | 31 | 35% | 0.353 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -62.7 | -42.7 | 178.7 | -63.8 | -33.7 | 0 | 0 | 0 | 112.7 | A337 R338 V339 M343 Q351 R354 | A337-D341 PolarHBondContact O-N 2.76Å; R338-D341 PolarHBondContact O-N 2.9Å; R338-D341 VanDerWaalsContact O-N 3.15Å; V339-D341 VanDerWaalsContact C-N 3.29Å; V339-D341 PolarHBondContact O-N 2.69Å; D341-M343 VanDerWaalsContact C-N 3.31Å; D341-M343 PolarHBondContact O-N 3.23Å; D341-Q351 PolarHBondContact OD1-NE2 2.93Å; D341-R354 IonicContact OD1-CZ 3.28Å; D341-R354 IonicContact OD1-NH1 3.6Å; D341-R354 PolarHBondContact OD1-NH1 2.97Å; D341-R354 IonicContact OD1-NH2 2.79Å; D341-R354 PolarHBondContact OD1-NH2 3.36Å; D341-R354 IonicContact OD2-CZ 2.79Å; D341-R354 IonicContact OD2-NH1 3.78Å; D341-R354 IonicContact OD2-NH2 2.85Å; D341-R354 PolarHBondContact OD2-NH2 3.4Å |
| 342 | V | 98.4 | Very high | 97.3 | Very high | 28 Ų | 28 | 36.1 Ų | 36.1 | 17% | 0.17 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -65.1 | -36 | 177.8 | 173.3 | 0 | 0 | 0 | 0 | 111.6 | P252 I253 R338 V339 I340 | P252-V342 HydrophobicContact CB-CG2 3.73Å; P252-V342 HydrophobicContact CG-CG2 4.1Å; I253-V342 HydrophobicContact CG1-CG2 4.26Å; R338-V342 WeakPolarHBondContact O-CG2 3.31Å; R338-V342 PolarHBondContact O-N 3.24Å; V339-V342 PolarHBondContact O-N 3.43Å; I340-V342 PolarHBondContact O-N 3.25Å |
| 343 | M | 98.1 | Very high | 97.5 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -95.6 | -9.2 | -173.1 | -60.3 | -56 | -59.6 | 0 | 0 | 113.9 | E96 L249 F294 V339 I340 D341 S345 A346 Y347 L350 | E96-M343 WeakPolarHBondContact OE2-CE 3.2Å; L249-M343 HydrophobicContact CD2-SD 4.11Å; F294-M343 HydrophobicContact CE2-CB 4.4Å; F294-M343 HydrophobicContact CE2-CE 3.89Å; F294-M343 HydrophobicContact CE2-CG 4.02Å; F294-M343 HydrophobicContact CZ-CB 3.98Å; F294-M343 HydrophobicContact CZ-CE 3.76Å; F294-M343 HydrophobicContact CZ-CG 4.09Å; V339-M343 HydrophobicContact CG1-CG 4.15Å; V339-M343 WeakPolarHBondContact O-CB 3.39Å; V339-M343 VanDerWaalsContact O-CG 3.23Å; V339-M343 WeakPolarHBondContact O-CG 3.42Å; V339-M343 PolarHBondContact O-N 3.46Å; I340-M343 PolarHBondContact O-N 3.11Å; D341-M343 VanDerWaalsContact C-N 3.31Å; D341-M343 PolarHBondContact O-N 3.23Å; M343-S345 VanDerWaalsContact C-N 3.31Å; M343-S345 PolarHBondContact O-N 3.38Å; M343-A346 PolarHBondContact O-N 3.15Å; M343-Y347 HydrophobicContact CB-CD2 4.32Å; M343-Y347 HydrophobicContact CE-CD2 3.76Å; M343-Y347 HydrophobicContact CE-CE2 3.49Å; M343-Y347 VanDerWaalsContact CE-CE2 3.49Å; M343-Y347 PolarHBondContact O-N 3.09Å; M343-L350 HydrophobicContact CB-CD1 3.7Å |
| 344 | A | 96.5 | Very high | 97.6 | Very high | 19 Ų | 19 | 41 Ų | 41 | 16% | 0.157 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -30.4 | -170 | 0 | 0 | 0 | 0 | 0 | 114.5 | I340 Y347 P348 Q351 | I340-A344 WeakPolarHBondContact O-CA 3.46Å; I340-A344 VanDerWaalsContact O-CB 3.24Å; I340-A344 WeakPolarHBondContact O-CB 3.31Å; I340-A344 PolarHBondContact O-N 3.49Å; A344-Y347 CarbonylContact O-C 3.51Å; A344-P348 VanDerWaalsContact O-CA 3.31Å; A344-P348 WeakPolarHBondContact O-CA 3.48Å; A344-P348 VanDerWaalsContact O-N 3.15Å; A344-Q351 HydrophobicContact CB-CG 3.97Å |
| 345 | S | 95.7 | Very high | 97.7 | Very high | 72 Ų | 72 | 43.1 Ų | 43.1 | 50% | 0.503 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -41.9 | 179 | 55.3 | 0 | 0 | 0 | 0 | 112.3 | D8 M343 | D8-S345 PolarHBondContact OD1-OG 3.28Å; D8-S345 VanDerWaalsContact OD1-OG 3.12Å; D8-S345 WeakPolarHBondContact OD2-CB 3.26Å; D8-S345 PolarHBondContact OD2-OG 3.45Å; M343-S345 VanDerWaalsContact C-N 3.31Å; M343-S345 PolarHBondContact O-N 3.38Å |
| 346 | A | 96.7 | Very high | 97.7 | Very high | 14 Ų | 14 | 46.4 Ų | 46.4 | 12% | 0.116 | 26% | 0.262 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.5 | -28.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y73 M343 | Y73-A346 HydrophobicContact CE2-CB 4.42Å; M343-A346 PolarHBondContact O-N 3.15Å |
| 347 | Y | 97.4 | Very high | 97.8 | Very high | 8 Ų | 8 | 46.6 Ų | 46.6 | 3% | 0.031 | 26% | 0.263 | C | S | . | . | trans | -133.3 | 73 | -175.6 | -54.6 | -74.3 | 0 | 0 | 0 | 112.2 | Y73 R75 E96 F294 M343 A344 H349 L350 | Y73-Y347 HydrophobicContact CD2-CE1 4.36Å; Y73-Y347 AromaticContact CD2-CZ 3.99Å; Y73-Y347 VanDerWaalsContact CD2-OH 3.31Å; Y73-Y347 WeakPolarHBondContact CD2-OH 3.43Å; Y73-Y347 HydrophobicContact CE2-CE1 4.06Å; Y73-Y347 AromaticContact CE2-CZ 3.95Å; R75-Y347 VanDerWaalsContact CD-CE1 3.44Å; R75-Y347 HydrophobicContact CG-CE1 3.67Å; R75-Y347 HydrophobicContact CG-CE2 4.33Å; R75-Y347 VanDerWaalsContact CG-OH 3.26Å; R75-Y347 WeakPolarHBondContact CG-OH 3.5Å; E96-Y347 VanDerWaalsContact OE1-CE2 3.25Å; E96-Y347 WeakPolarHBondContact OE1-CE2 3.32Å; E96-Y347 VanDerWaalsContact OE1-CZ 3.32Å; E96-Y347 PolarHBondContact OE1-OH 2.98Å; F294-Y347 HydrophobicContact CE1-CD1 4.21Å; F294-Y347 AromaticContact CE1-CD2 3.74Å; F294-Y347 HydrophobicContact CE1-CD2 3.74Å; F294-Y347 HydrophobicContact CE1-CE2 4.25Å; F294-Y347 AromaticContact CE1-CG 3.68Å; F294-Y347 HydrophobicContact CE1-CG 3.68Å; F294-Y347 AromaticContact CZ-CD2 3.45Å; F294-Y347 HydrophobicContact CZ-CD2 3.45Å; F294-Y347 VanDerWaalsContact CZ-CD2 3.45Å; F294-Y347 AromaticContact CZ-CE2 3.8Å; F294-Y347 HydrophobicContact CZ-CE2 3.8Å; F294-Y347 AromaticContact CZ-CG 3.91Å; F294-Y347 HydrophobicContact CZ-CG 3.91Å; M343-Y347 HydrophobicContact CB-CD2 4.32Å; M343-Y347 HydrophobicContact CE-CD2 3.76Å; M343-Y347 HydrophobicContact CE-CE2 3.49Å; M343-Y347 VanDerWaalsContact CE-CE2 3.49Å; M343-Y347 PolarHBondContact O-N 3.09Å; A344-Y347 CarbonylContact O-C 3.51Å; Y347-H349 AromaticContact CD1-CE1 3.87Å; Y347-H349 PolarHBondContact O-N 2.95Å; Y347-L350 WeakPolarHBondContact O-CB 3.49Å; Y347-L350 WeakPolarHBondContact O-CG 3.39Å; Y347-L350 PolarHBondContact O-N 3.2Å; Y347-L350 VanDerWaalsContact O-N 3.12Å | ||
| 348 | P | 96.8 | Very high | 97.7 | Very high | 89 Ų | 89 | 46.8 Ų | 46.8 | 58% | 0.578 | 26% | 0.262 | S | S | * | . | G | 310 helix | trans | -60.4 | -23 | -176.1 | -25.2 | 34.9 | 0 | 0 | 0 | 114.2 | A344 L350 Q351 P352 | A344-P348 VanDerWaalsContact O-CA 3.31Å; A344-P348 WeakPolarHBondContact O-CA 3.48Å; A344-P348 VanDerWaalsContact O-N 3.15Å; P348-L350 PolarHBondContact O-N 3.31Å; P348-L350 VanDerWaalsContact O-N 3.17Å; P348-Q351 PolarHBondContact O-N 3.41Å; P348-P352 WeakPolarHBondContact O-CD 3.17Å |
| 349 | H | 95.6 | Very high | 97.7 | Very high | 65 Ų | 65 | 47.6 Ų | 47.6 | 30% | 0.301 | 27% | 0.273 | S | S | . | . | G | 310 helix | trans | -67.8 | -9.3 | 178.7 | 68.7 | -77.8 | 0 | 0 | 0 | 114.3 | D298 Y347 | D298-H349 IonicContact OD1-NE2 3.89Å; Y347-H349 AromaticContact CD1-CE1 3.87Å; Y347-H349 PolarHBondContact O-N 2.95Å |
| 350 | L | 98.1 | Very high | 97.6 | Very high | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 28% | 0.284 | C | S | . | . | G | 310 helix | trans | -71.6 | -38.8 | 172.9 | -66.2 | 179.8 | 0 | 0 | 0 | 112.6 | T293 F294 A297 I340 M343 Y347 P348 K353 R354 | T293-L350 HydrophobicContact CG2-CD2 4.26Å; F294-L350 HydrophobicContact CD1-CD1 4.37Å; F294-L350 HydrophobicContact CD1-CD2 3.85Å; F294-L350 HydrophobicContact CE1-CD1 3.68Å; F294-L350 HydrophobicContact CE1-CD2 3.9Å; F294-L350 HydrophobicContact CE1-CG 4.09Å; F294-L350 HydrophobicContact CZ-CD1 3.83Å; A297-L350 HydrophobicContact CB-CD2 3.44Å; A297-L350 VanDerWaalsContact CB-CD2 3.44Å; I340-L350 HydrophobicContact CG1-CB 4.4Å; I340-L350 HydrophobicContact CG2-CB 3.96Å; M343-L350 HydrophobicContact CB-CD1 3.7Å; Y347-L350 WeakPolarHBondContact O-CB 3.49Å; Y347-L350 WeakPolarHBondContact O-CG 3.39Å; Y347-L350 PolarHBondContact O-N 3.2Å; Y347-L350 VanDerWaalsContact O-N 3.12Å; P348-L350 PolarHBondContact O-N 3.31Å; P348-L350 VanDerWaalsContact O-N 3.17Å; L350-K353 CarbonylContact O-C 3.56Å; L350-K353 WeakPolarHBondContact O-CA 3.45Å; L350-K353 PolarHBondContact O-N 2.82Å; L350-R354 PolarHBondContact O-N 3.35Å |
| 351 | Q | 97.6 | Very high | 97.5 | Very high | 76 Ų | 76 | 50 Ų | 50 | 36% | 0.355 | 29% | 0.285 | S | S | . | . | G | 310 helix | trans | -58.2 | -50.2 | -175.7 | -72.1 | -67 | -0.2 | 0 | 0 | 113.8 | I340 D341 A344 P348 K353 R354 | I340-Q351 HydrophobicContact CG2-CG 4.42Å; D341-Q351 PolarHBondContact OD1-NE2 2.93Å; A344-Q351 HydrophobicContact CB-CG 3.97Å; P348-Q351 PolarHBondContact O-N 3.41Å; Q351-K353 PolarHBondContact O-N 3.44Å; Q351-R354 VanDerWaalsContact O-CB 3.31Å; Q351-R354 WeakPolarHBondContact O-CB 3.41Å; Q351-R354 PolarHBondContact O-N 3.03Å; Q351-R354 VanDerWaalsContact O-N 3.09Å |
| 352 | P | 97.8 | Very high | 97.3 | Very high | 110 Ų | 110 | 49.3 Ų | 49.3 | 71% | 0.714 | 28% | 0.281 | S | S | * | . | G | 310 helix | trans | -66.5 | -9.8 | 177.3 | 27.1 | -36 | 0 | 0 | 0 | 113.9 | P348 | P348-P352 WeakPolarHBondContact O-CD 3.17Š|
| 353 | K | 98.2 | Very high | 97.2 | Very high | 84 Ų | 84 | 54.6 Ų | 54.6 | 37% | 0.365 | 30% | 0.302 | S | S | . | . | G | 310 helix | trans | -103.5 | 1.7 | 177.8 | -62.7 | -178.4 | 178.7 | 177.7 | 0 | 112.8 | A297 L350 Q351 D355 A356 I357 | A297-K353 HydrophobicContact CB-CD 4.22Å; A297-K353 WeakPolarHBondContact O-CD 3.41Å; A297-K353 PolarHBondContact O-NZ 3.01Å; L350-K353 CarbonylContact O-C 3.56Å; L350-K353 WeakPolarHBondContact O-CA 3.45Å; L350-K353 PolarHBondContact O-N 2.82Å; Q351-K353 PolarHBondContact O-N 3.44Å; K353-D355 PolarHBondContact O-N 3.13Å; K353-A356 PolarHBondContact O-N 3.18Å; K353-I357 HydrophobicContact CB-CD1 3.81Å; K353-I357 HydrophobicContact CB-CG1 4.27Å; K353-I357 WeakPolarHBondContact O-CD1 3.37Å; K353-I357 VanDerWaalsContact O-CG1 3.22Å; K353-I357 WeakPolarHBondContact O-CG1 3.49Å; K353-I357 PolarHBondContact O-N 3.25Å |
| 354 | R | 98.5 | Very high | 97 | Very high | 60 Ų | 60 | 55.4 Ų | 55.4 | 23% | 0.226 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -50.7 | -57.8 | -173.1 | -173.8 | -172.2 | -163.2 | 102.8 | -2.1 | 112.1 | A337 I340 D341 L350 Q351 A356 I357 T358 | A337-R354 PolarHBondContact O-NH2 2.91Å; I340-R354 HydrophobicContact CD1-CB 4.09Å; I340-R354 HydrophobicContact CD1-CG 3.88Å; D341-R354 IonicContact OD1-CZ 3.28Å; D341-R354 IonicContact OD1-NH1 3.6Å; D341-R354 PolarHBondContact OD1-NH1 2.97Å; D341-R354 IonicContact OD1-NH2 2.79Å; D341-R354 PolarHBondContact OD1-NH2 3.36Å; D341-R354 IonicContact OD2-CZ 2.79Å; D341-R354 IonicContact OD2-NH1 3.78Å; D341-R354 IonicContact OD2-NH2 2.85Å; D341-R354 PolarHBondContact OD2-NH2 3.4Å; L350-R354 PolarHBondContact O-N 3.35Å; Q351-R354 VanDerWaalsContact O-CB 3.31Å; Q351-R354 WeakPolarHBondContact O-CB 3.41Å; Q351-R354 PolarHBondContact O-N 3.03Å; Q351-R354 VanDerWaalsContact O-N 3.09Å; R354-A356 PolarHBondContact O-N 3.03Å; R354-I357 PolarHBondContact O-N 3.26Å; R354-I357 VanDerWaalsContact O-N 3.16Å; R354-T358 HydrophobicContact CG-CG2 4.46Å; R354-T358 WeakPolarHBondContact O-CG2 3.34Å; R354-T358 PolarHBondContact O-N 3.4Å; R354-T358 PolarHBondContact O-OG1 3.44Å; R354-T358 VanDerWaalsContact O-OG1 3.11Å |
| 355 | D | 98.2 | Very high | 96.8 | Very high | 112 Ų | 112 | 54.6 Ų | 54.6 | 60% | 0.599 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -61.6 | -46 | -174.5 | -59 | -14.9 | 0 | 0 | 0 | 111.4 | K353 I357 T358 D359 | K353-D355 PolarHBondContact O-N 3.13Å; D355-I357 VanDerWaalsContact C-N 3.3Å; D355-I357 PolarHBondContact O-N 3.01Å; D355-T358 WeakPolarHBondContact CA-OG1 3.23Å; D355-T358 PolarHBondContact O-N 2.89Å; D355-T358 PolarHBondContact O-OG1 3.32Å; D355-D359 VanDerWaalsContact O-CB 3.26Å; D355-D359 WeakPolarHBondContact O-CB 3.08Å; D355-D359 PolarHBondContact O-N 3.44Å |
| 356 | A | 98.2 | Very high | 96.6 | Very high | 70 Ų | 70 | 57 Ų | 57 | 58% | 0.579 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -60.6 | -38.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | K353 R354 M360 | K353-A356 PolarHBondContact O-N 3.18Å; R354-A356 PolarHBondContact O-N 3.03Å; A356-M360 WeakPolarHBondContact O-CB 3.36Å; A356-M360 PolarHBondContact O-N 3.08Å |
| 357 | I | 98.4 | Very high | 96.2 | Very high | 4 Ų | 4 | 59.5 Ų | 59.5 | 2% | 0.021 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -69.7 | -49.1 | 176.9 | -65.7 | 165.5 | 0 | 0 | 0 | 109.9 | T293 L296 A297 V336 I340 K353 R354 D355 D359 M360 L361 | T293-I357 HydrophobicContact CG2-CD1 4.41Å; L296-I357 HydrophobicContact CB-CG1 3.97Å; L296-I357 HydrophobicContact CB-CG2 4.3Å; L296-I357 HydrophobicContact CD1-CG2 3.98Å; A297-I357 HydrophobicContact CB-CD1 3.93Å; V336-I357 HydrophobicContact CG1-CG2 3.4Å; I340-I357 HydrophobicContact CD1-CD1 4.15Å; K353-I357 HydrophobicContact CB-CD1 3.81Å; K353-I357 HydrophobicContact CB-CG1 4.27Å; K353-I357 WeakPolarHBondContact O-CD1 3.37Å; K353-I357 VanDerWaalsContact O-CG1 3.22Å; K353-I357 WeakPolarHBondContact O-CG1 3.49Å; K353-I357 PolarHBondContact O-N 3.25Å; R354-I357 PolarHBondContact O-N 3.26Å; R354-I357 VanDerWaalsContact O-N 3.16Å; D355-I357 VanDerWaalsContact C-N 3.3Å; D355-I357 PolarHBondContact O-N 3.01Å; I357-D359 PolarHBondContact O-N 3.42Å; I357-M360 PolarHBondContact O-N 2.87Å; I357-L361 HydrophobicContact CG2-CD2 4.43Å; I357-L361 WeakPolarHBondContact O-CD2 3.21Å; I357-L361 PolarHBondContact O-N 3.23Å; I357-L361 VanDerWaalsContact O-N 3.08Å |
| 358 | T | 98.1 | Very high | 95.9 | Very high | 19 Ų | 19 | 59.1 Ų | 59.1 | 12% | 0.117 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -64.9 | -40.3 | -177.6 | 51.4 | 0 | 0 | 0 | 0 | 112.1 | A337 R354 D355 L361 L362 | A337-T358 HydrophobicContact CB-CG2 4.07Å; R354-T358 HydrophobicContact CG-CG2 4.46Å; R354-T358 WeakPolarHBondContact O-CG2 3.34Å; R354-T358 PolarHBondContact O-N 3.4Å; R354-T358 PolarHBondContact O-OG1 3.44Å; R354-T358 VanDerWaalsContact O-OG1 3.11Å; D355-T358 WeakPolarHBondContact CA-OG1 3.23Å; D355-T358 PolarHBondContact O-N 2.89Å; D355-T358 PolarHBondContact O-OG1 3.32Å; T358-L361 PolarHBondContact O-N 2.88Å; T358-L362 WeakPolarHBondContact O-CB 3.42Å; T358-L362 PolarHBondContact O-N 2.86Å |
| 359 | D | 97.6 | Very high | 95.5 | Very high | 103 Ų | 103 | 57 Ų | 57 | 55% | 0.551 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -67.3 | -41.3 | 179.3 | -70.3 | -9.2 | 0 | 0 | 0 | 111.6 | D355 I357 L361 L362 K363 | D355-D359 VanDerWaalsContact O-CB 3.26Å; D355-D359 WeakPolarHBondContact O-CB 3.08Å; D355-D359 PolarHBondContact O-N 3.44Å; I357-D359 PolarHBondContact O-N 3.42Å; D359-L361 VanDerWaalsContact C-N 3.34Å; D359-L361 PolarHBondContact O-N 2.9Å; D359-L362 PolarHBondContact O-N 2.92Å; D359-K363 WeakPolarHBondContact O-CB 3.36Å; D359-K363 PolarHBondContact O-N 3.42Å |
| 360 | M | 97.3 | Very high | 95.1 | Very high | 48 Ų | 48 | 61.1 Ų | 61.1 | 24% | 0.236 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -63.2 | -41.7 | 175.5 | -178.9 | 56.9 | 66.6 | 0 | 0 | 111.5 | L296 L301 P302 A356 I357 E364 | L296-M360 HydrophobicContact CD1-CG 4.43Å; L296-M360 HydrophobicContact CD2-CB 4.19Å; L296-M360 HydrophobicContact CD2-CG 3.58Å; L301-M360 HydrophobicContact CD2-CE 4.25Å; P302-M360 HydrophobicContact CG-CG 4.3Å; P302-M360 HydrophobicContact CG-SD 4.24Å; A356-M360 WeakPolarHBondContact O-CB 3.36Å; A356-M360 PolarHBondContact O-N 3.08Å; I357-M360 PolarHBondContact O-N 2.87Å; M360-E364 PolarHBondContact O-N 2.81Å; M360-E364 VanDerWaalsContact O-N 3.15Å |
| 361 | L | 95.5 | Very high | 94.7 | Very high | 2 Ų | 2 | 62.7 Ų | 62.7 | 1% | 0.01 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -62.8 | -49.9 | 175.5 | -99.5 | -60.1 | 0 | 0 | 0 | 111.2 | L296 I315 H333 V336 I357 T358 D359 K363 E364 E365 | L296-L361 HydrophobicContact CD1-CD2 3.03Å; I315-L361 HydrophobicContact CD1-CD1 4.21Å; I315-L361 HydrophobicContact CG1-CD1 3.98Å; I315-L361 HydrophobicContact CG2-CD1 3.94Å; H333-L361 HydrophobicContact CB-CB 4.47Å; V336-L361 HydrophobicContact CG2-CG 4.14Å; I357-L361 HydrophobicContact CG2-CD2 4.43Å; I357-L361 WeakPolarHBondContact O-CD2 3.21Å; I357-L361 PolarHBondContact O-N 3.23Å; I357-L361 VanDerWaalsContact O-N 3.08Å; T358-L361 PolarHBondContact O-N 2.88Å; D359-L361 VanDerWaalsContact C-N 3.34Å; D359-L361 PolarHBondContact O-N 2.9Å; L361-K363 VanDerWaalsContact C-N 3.27Å; L361-K363 PolarHBondContact O-N 2.71Å; L361-E364 PolarHBondContact O-N 3.29Å; L361-E364 VanDerWaalsContact O-N 3.09Å; L361-E365 WeakPolarHBondContact O-CG 3.4Å; L361-E365 PolarHBondContact O-N 3.28Å |
| 362 | L | 95.4 | Very high | 94.3 | Very high | 53 Ų | 53 | 59.4 Ų | 59.4 | 28% | 0.277 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -56.8 | -43.3 | -179.9 | 178.5 | 59.3 | 0 | 0 | 0 | 111.5 | H333 T358 D359 E364 E365 E366 | H333-L362 HydrophobicContact CB-CB 4.23Å; T358-L362 WeakPolarHBondContact O-CB 3.42Å; T358-L362 PolarHBondContact O-N 2.86Å; D359-L362 PolarHBondContact O-N 2.92Å; L362-E364 PolarHBondContact O-N 3.04Å; L362-E365 WeakPolarHBondContact O-CB 3.27Å; L362-E365 PolarHBondContact O-N 3.08Å; L362-E366 HydrophobicContact CD1-CG 4.23Å; L362-E366 WeakPolarHBondContact O-CG 3.36Å; L362-E366 PolarHBondContact O-N 3.16Å |
| 363 | K | 95.1 | Very high | 93.9 | Very high | 138 Ų | 138 | 56.7 Ų | 56.7 | 60% | 0.6 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -59.6 | -44.2 | 175.8 | -177.4 | 179.5 | 178 | 179.1 | 0 | 112.7 | D359 L361 S367 | D359-K363 WeakPolarHBondContact O-CB 3.36Å; D359-K363 PolarHBondContact O-N 3.42Å; L361-K363 VanDerWaalsContact C-N 3.27Å; L361-K363 PolarHBondContact O-N 2.71Å; K363-S367 WeakPolarHBondContact O-CB 3.39Å; K363-S367 PolarHBondContact O-N 2.86Å; K363-S367 VanDerWaalsContact O-N 3.08Å |
| 364 | E | 94 | Very high | 93.6 | Very high | 17 Ų | 17 | 55.9 Ų | 55.9 | 8% | 0.079 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -69.4 | -35.8 | 175.6 | -73.5 | -69.3 | 138.7 | 0 | 0 | 112.1 | P302 R312 I315 M360 L361 L362 F368 | P302-E364 HydrophobicContact CB-CG 4.14Å; P302-E364 HydrophobicContact CG-CG 3.93Å; R312-E364 IonicContact NH2-OE1 3.37Å; I315-E364 HydrophobicContact CD1-CG 4.41Å; I315-E364 HydrophobicContact CG2-CB 3.86Å; M360-E364 PolarHBondContact O-N 2.81Å; M360-E364 VanDerWaalsContact O-N 3.15Å; L361-E364 PolarHBondContact O-N 3.29Å; L361-E364 VanDerWaalsContact O-N 3.09Å; L362-E364 PolarHBondContact O-N 3.04Å; E364-F368 VanDerWaalsContact O-CB 3.27Å; E364-F368 WeakPolarHBondContact O-CB 3.45Å; E364-F368 PolarHBondContact O-N 3.34Å |
| 365 | E | 92.1 | Very high | 93.3 | Very high | 3 Ų | 3 | 53 Ų | 53 | 1% | 0.014 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -57.3 | -53.9 | 174 | -71.5 | -170.5 | 93 | 0 | 0 | 110.9 | I319 S330 F331 L332 H333 L361 L362 F368 A369 | I319-E365 HydrophobicContact CD1-CB 4.41Å; I319-E365 HydrophobicContact CD1-CG 4.17Å; I319-E365 HydrophobicContact CG1-CG 4.04Å; S330-E365 WeakPolarHBondContact CA-OE1 3.33Å; S330-E365 WeakPolarHBondContact CB-OE1 3.23Å; F331-E365 PolarHBondContact N-OE1 3.44Å; L332-E365 VanDerWaalsContact CB-CD 3.5Å; L332-E365 HydrophobicContact CB-CG 4.16Å; L332-E365 WeakPolarHBondContact CB-OE1 3.4Å; L332-E365 HydrophobicContact CD1-CG 4.34Å; L332-E365 HydrophobicContact CG-CG 4.4Å; L332-E365 WeakPolarHBondContact CG-OE1 3.42Å; L332-E365 PolarHBondContact N-OE1 3.43Å; L332-E365 PolarHBondContact N-OE2 2.93Å; H333-E365 IonicContact CE1-OE2 3.64Å; H333-E365 IonicContact CG-OE2 3.31Å; H333-E365 PolarHBondContact N-OE2 2.91Å; H333-E365 IonicContact ND1-OE2 3.92Å; H333-E365 PolarHBondContact ND1-OE2 3.11Å; L361-E365 WeakPolarHBondContact O-CG 3.4Å; L361-E365 PolarHBondContact O-N 3.28Å; L362-E365 WeakPolarHBondContact O-CB 3.27Å; L362-E365 PolarHBondContact O-N 3.08Å; E365-F368 PolarHBondContact O-N 3.5Å; E365-A369 VanDerWaalsContact O-CB 3.23Å; E365-A369 WeakPolarHBondContact O-CB 3.46Å; E365-A369 PolarHBondContact O-N 2.77Å |
| 366 | E | 91.2 | Very high | 93 | Very high | 121 Ų | 121 | 50.9 Ų | 50.9 | 57% | 0.565 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -63.7 | -45.1 | -179.4 | -69 | 178 | 164.3 | 0 | 0 | 111.9 | L362 F368 | L362-E366 HydrophobicContact CD1-CG 4.23Å; L362-E366 WeakPolarHBondContact O-CG 3.36Å; L362-E366 PolarHBondContact O-N 3.16Å; E366-F368 VanDerWaalsContact C-N 3.35Å; E366-F368 PolarHBondContact O-N 3.46Å |
| 367 | S | 90.2 | Very high | 92.8 | Very high | 68 Ų | 68 | 53.5 Ų | 53.5 | 48% | 0.476 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -62.2 | -42.7 | 179 | -178.4 | 0 | 0 | 0 | 0 | 111.7 | K363 | K363-S367 WeakPolarHBondContact O-CB 3.39Å; K363-S367 PolarHBondContact O-N 2.86Å; K363-S367 VanDerWaalsContact O-N 3.08Å |
| 368 | F | 91.1 | Very high | 92.6 | Very high | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -82.1 | -30.6 | -176.4 | -174.2 | -118.6 | 0 | 0 | 0 | 112.9 | R316 I319 E364 E365 E366 K370 S371 L372 L405 | R316-F368 HydrophobicContact CB-CD1 3.95Å; R316-F368 HydrophobicContact CB-CD2 4.4Å; R316-F368 HydrophobicContact CB-CE1 3.68Å; R316-F368 HydrophobicContact CB-CE2 4.15Å; R316-F368 HydrophobicContact CB-CG 4.31Å; R316-F368 HydrophobicContact CB-CZ 3.79Å; R316-F368 HydrophobicContact CG-CB 4.31Å; R316-F368 HydrophobicContact CG-CD1 3.79Å; R316-F368 HydrophobicContact CG-CD2 3.69Å; R316-F368 HydrophobicContact CG-CE1 3.96Å; R316-F368 HydrophobicContact CG-CE2 3.86Å; R316-F368 HydrophobicContact CG-CG 3.65Å; R316-F368 HydrophobicContact CG-CZ 4Å; R316-F368 VanDerWaalsContact O-CE1 3.32Å; R316-F368 WeakPolarHBondContact O-CE1 3.47Å; I319-F368 HydrophobicContact CB-CD1 3.84Å; I319-F368 HydrophobicContact CB-CE1 4.35Å; I319-F368 HydrophobicContact CD1-CB 3.99Å; I319-F368 HydrophobicContact CD1-CD1 3.96Å; I319-F368 HydrophobicContact CD1-CG 4.41Å; I319-F368 HydrophobicContact CG2-CD1 3.72Å; I319-F368 HydrophobicContact CG2-CE1 4.38Å; E364-F368 VanDerWaalsContact O-CB 3.27Å; E364-F368 WeakPolarHBondContact O-CB 3.45Å; E364-F368 PolarHBondContact O-N 3.34Å; E365-F368 PolarHBondContact O-N 3.5Å; E366-F368 VanDerWaalsContact C-N 3.35Å; E366-F368 PolarHBondContact O-N 3.46Å; F368-K370 PolarHBondContact O-N 2.93Å; F368-S371 CarbonylContact O-C 3.45Å; F368-S371 WeakPolarHBondContact O-CB 3.36Å; F368-S371 PolarHBondContact O-N 3.17Å; F368-L372 HydrophobicContact CE1-CB 4.38Å; F368-L372 HydrophobicContact CZ-CB 4.47Å; F368-L372 WeakPolarHBondContact O-CB 3.42Å; F368-L372 PolarHBondContact O-N 3.37Å; F368-L405 HydrophobicContact CE2-CD1 4.05Å; F368-L405 HydrophobicContact CZ-CD1 4.15Å; F368-L405 HydrophobicContact CZ-CG 4.36Å |
| 369 | A | 86.5 | Confident | 92.4 | Very high | 43 Ų | 43 | 57 Ų | 57 | 36% | 0.355 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -54.9 | -42.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | E365 L372 S373 | E365-A369 VanDerWaalsContact O-CB 3.23Å; E365-A369 WeakPolarHBondContact O-CB 3.46Å; E365-A369 PolarHBondContact O-N 2.77Å; A369-L372 PolarHBondContact O-N 2.97Å; A369-S373 WeakPolarHBondContact O-CB 3.5Å; A369-S373 PolarHBondContact O-N 2.67Å |
| 370 | K | 87.8 | Confident | 92.3 | Very high | 152 Ų | 152 | 54.9 Ų | 54.9 | 66% | 0.661 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -62.1 | -47 | 173.5 | -173.7 | 175.6 | -179.5 | 177.7 | 0 | 112.1 | F368 S373 N374 | F368-K370 PolarHBondContact O-N 2.93Å; K370-S373 PolarHBondContact O-N 3.04Å; K370-N374 PolarHBondContact O-N 3.09Å; K370-N374 VanDerWaalsContact O-N 3.11Å; K370-N374 PolarHBondContact O-ND2 3.26Å |
| 371 | S | 89.4 | Confident | 92.2 | Very high | 33 Ų | 33 | 59.4 Ų | 59.4 | 23% | 0.231 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -62.2 | -42.6 | 177.8 | -65.8 | 0 | 0 | 0 | 0 | 112.4 | F368 N374 A375 | F368-S371 CarbonylContact O-C 3.45Å; F368-S371 WeakPolarHBondContact O-CB 3.36Å; F368-S371 PolarHBondContact O-N 3.17Å; S371-N374 PolarHBondContact O-N 3.03Å; S371-A375 WeakPolarHBondContact O-CB 3.42Å; S371-A375 PolarHBondContact O-N 3.42Å |
| 372 | L | 89.6 | Confident | 92.2 | Very high | 7 Ų | 7 | 59.6 Ų | 59.6 | 4% | 0.037 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -65.7 | -43.1 | 179 | -179.1 | 60 | 0 | 0 | 0 | 111.7 | Y320 S323 F368 A369 N374 A375 K376 L405 | Y320-L372 HydrophobicContact CD2-CD1 3.81Å; Y320-L372 HydrophobicContact CD2-CD2 3.97Å; Y320-L372 HydrophobicContact CE2-CD1 4.26Å; S323-L372 WeakPolarHBondContact OG-CD2 3.34Å; F368-L372 HydrophobicContact CE1-CB 4.38Å; F368-L372 HydrophobicContact CZ-CB 4.47Å; F368-L372 WeakPolarHBondContact O-CB 3.42Å; F368-L372 PolarHBondContact O-N 3.37Å; A369-L372 PolarHBondContact O-N 2.97Å; L372-N374 VanDerWaalsContact C-N 3.32Å; L372-N374 PolarHBondContact O-N 3.25Å; L372-A375 PolarHBondContact O-N 2.81Å; L372-K376 HydrophobicContact CD1-CG 4.42Å; L372-K376 WeakPolarHBondContact O-CG 3.38Å; L372-K376 PolarHBondContact O-N 3.49Å; L372-L405 HydrophobicContact CD1-CD1 4.41Å; L372-L405 HydrophobicContact CD1-CD2 4.2Å; L372-L405 HydrophobicContact CD1-CG 4.36Å |
| 373 | S | 89.2 | Confident | 92.2 | Very high | 54 Ų | 54 | 58.4 Ų | 58.4 | 38% | 0.378 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -58.2 | -45.3 | 174.2 | -175 | 0 | 0 | 0 | 0 | 111.4 | A369 K370 K376 K377 | A369-S373 WeakPolarHBondContact O-CB 3.5Å; A369-S373 PolarHBondContact O-N 2.67Å; K370-S373 PolarHBondContact O-N 3.04Å; S373-K376 PolarHBondContact O-N 3.01Å; S373-K377 WeakPolarHBondContact O-CG 3.43Å; S373-K377 PolarHBondContact O-N 2.86Å |
| 374 | N | 92.3 | Very high | 92.2 | Very high | 67 Ų | 67 | 58.7 Ų | 58.7 | 36% | 0.358 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -66.9 | -38.2 | 177.5 | -68.5 | -25.9 | 0 | 0 | 0 | 112.5 | K370 S371 L372 K377 R378 F403 | K370-N374 PolarHBondContact O-N 3.09Å; K370-N374 VanDerWaalsContact O-N 3.11Å; K370-N374 PolarHBondContact O-ND2 3.26Å; S371-N374 PolarHBondContact O-N 3.03Å; L372-N374 VanDerWaalsContact C-N 3.32Å; L372-N374 PolarHBondContact O-N 3.25Å; N374-K377 PolarHBondContact O-N 3.33Å; N374-R378 WeakPolarHBondContact O-CB 3.44Å; N374-R378 PolarHBondContact O-N 2.94Å; N374-F403 HydrophobicContact CB-CD1 3.96Å; N374-F403 HydrophobicContact CB-CE1 3.63Å |
| 375 | A | 92.2 | Very high | 92.3 | Very high | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -62.5 | -48.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | S371 L372 K377 R378 F379 L399 F403 L405 | S371-A375 WeakPolarHBondContact O-CB 3.42Å; S371-A375 PolarHBondContact O-N 3.42Å; L372-A375 PolarHBondContact O-N 2.81Å; A375-K377 PolarHBondContact O-N 3.43Å; A375-R378 PolarHBondContact O-N 3Å; A375-R378 VanDerWaalsContact O-N 3.14Å; A375-F379 WeakPolarHBondContact O-CB 3.35Å; A375-F379 PolarHBondContact O-N 2.73Å; A375-L399 HydrophobicContact CB-CD2 4.42Å; A375-F403 HydrophobicContact CB-CB 3.74Å; A375-F403 HydrophobicContact CB-CD1 4.12Å; A375-F403 HydrophobicContact CB-CD2 4.09Å; A375-F403 HydrophobicContact CB-CG 3.71Å; A375-L405 HydrophobicContact CB-CD1 3.51Å; A375-L405 HydrophobicContact CB-CD2 3.78Å; A375-L405 HydrophobicContact CB-CG 4.33Å |
| 376 | K | 91 | Very high | 92.4 | Very high | 67 Ų | 67 | 65.4 Ų | 65.4 | 29% | 0.291 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -56.9 | -47.5 | 175.6 | -73.3 | -179.2 | 177.9 | 179.9 | 0 | 110.9 | L372 S373 R378 F379 S380 | L372-K376 HydrophobicContact CD1-CG 4.42Å; L372-K376 WeakPolarHBondContact O-CG 3.38Å; L372-K376 PolarHBondContact O-N 3.49Å; S373-K376 PolarHBondContact O-N 3.01Å; K376-R378 VanDerWaalsContact C-N 3.34Å; K376-R378 PolarHBondContact O-N 3.44Å; K376-F379 PolarHBondContact O-N 3.13Å; K376-S380 PolarHBondContact O-N 3.48Å; K376-S380 PolarHBondContact O-OG 3.21Å; K376-S380 VanDerWaalsContact O-OG 3.06Å |
| 377 | K | 94.1 | Very high | 92.4 | Very high | 124 Ų | 124 | 60.8 Ų | 60.8 | 54% | 0.539 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -61.4 | -37.2 | 175.8 | -71.6 | 175 | -175.1 | 176.1 | 0 | 113.5 | S373 N374 A375 R381 | S373-K377 WeakPolarHBondContact O-CG 3.43Å; S373-K377 PolarHBondContact O-N 2.86Å; N374-K377 PolarHBondContact O-N 3.33Å; A375-K377 PolarHBondContact O-N 3.43Å; K377-R381 WeakPolarHBondContact O-CG 3.44Å; K377-R381 PolarHBondContact O-N 3.13Å; K377-R381 PolarHBondContact O-NE 3.14Å |
| 378 | R | 94.3 | Very high | 92.6 | Very high | 90 Ų | 90 | 60.3 Ų | 60.3 | 34% | 0.34 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -69.5 | -44.7 | 176.4 | 179 | 56.9 | 173.6 | 173.2 | -1.2 | 110.6 | N374 A375 K376 R381 I382 L398 F403 | N374-R378 WeakPolarHBondContact O-CB 3.44Å; N374-R378 PolarHBondContact O-N 2.94Å; A375-R378 PolarHBondContact O-N 3Å; A375-R378 VanDerWaalsContact O-N 3.14Å; K376-R378 VanDerWaalsContact C-N 3.34Å; K376-R378 PolarHBondContact O-N 3.44Å; R378-R381 WeakPolarHBondContact O-CB 3.31Å; R378-R381 PolarHBondContact O-N 3.04Å; R378-I382 HydrophobicContact CG-CD1 4.16Å; R378-I382 WeakPolarHBondContact O-CG1 3.48Å; R378-I382 PolarHBondContact O-N 2.66Å; R378-L398 HydrophobicContact CG-CD2 4.36Å; R378-F403 HydrophobicContact CB-CE2 3.92Å; R378-F403 HydrophobicContact CB-CZ 3.82Å; R378-F403 HydrophobicContact CG-CE2 3.93Å; R378-F403 HydrophobicContact CG-CZ 4.11Å |
| 379 | F | 95.2 | Very high | 92.7 | Very high | 6 Ų | 6 | 65.9 Ų | 65.9 | 3% | 0.026 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -62.4 | -46 | 178.7 | -175.3 | -123.6 | 0 | 0 | 0 | 112 | A375 K376 R381 I382 L383 V391 L396 L399 L413 S417 V419 | A375-F379 WeakPolarHBondContact O-CB 3.35Å; A375-F379 PolarHBondContact O-N 2.73Å; K376-F379 PolarHBondContact O-N 3.13Å; F379-R381 VanDerWaalsContact C-N 3.29Å; F379-R381 PolarHBondContact O-N 2.84Å; F379-I382 PolarHBondContact O-N 3.01Å; F379-I382 VanDerWaalsContact O-N 3.1Å; F379-L383 HydrophobicContact CD1-CD1 3.82Å; F379-L383 HydrophobicContact CE1-CD1 3.52Å; F379-L383 HydrophobicContact CE1-CG 4.28Å; F379-L383 HydrophobicContact CE2-CD1 4.35Å; F379-L383 HydrophobicContact CE2-CG 4.25Å; F379-L383 HydrophobicContact CG-CD1 4.38Å; F379-L383 HydrophobicContact CZ-CD1 3.8Å; F379-L383 HydrophobicContact CZ-CD2 4.34Å; F379-L383 HydrophobicContact CZ-CG 4.1Å; F379-L383 PolarHBondContact O-N 2.63Å; F379-V391 HydrophobicContact CE2-CG1 4.38Å; F379-L396 HydrophobicContact CD2-CD2 4.33Å; F379-L396 HydrophobicContact CE2-CD2 3.62Å; F379-L396 HydrophobicContact CZ-CD2 4.3Å; F379-L399 HydrophobicContact CB-CD1 4.14Å; F379-L399 HydrophobicContact CB-CD2 4.25Å; F379-L399 HydrophobicContact CD2-CD1 3.91Å; F379-L399 HydrophobicContact CG-CD1 4.12Å; F379-L413 HydrophobicContact CE1-CB 4.15Å; F379-S417 WeakPolarHBondContact CE1-OG 3.4Å; F379-V419 HydrophobicContact CZ-CG2 4.17Å |
| 380 | S | 94.9 | Very high | 93.1 | Very high | 59 Ų | 59 | 69.8 Ų | 69.8 | 41% | 0.413 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -58.9 | -37.6 | 174.2 | -57.2 | 0 | 0 | 0 | 0 | 112.8 | K376 L383 N384 | K376-S380 PolarHBondContact O-N 3.48Å; K376-S380 PolarHBondContact O-OG 3.21Å; K376-S380 VanDerWaalsContact O-OG 3.06Å; S380-L383 PolarHBondContact O-N 3.4Å; S380-N384 WeakPolarHBondContact O-CB 3.48Å; S380-N384 PolarHBondContact O-N 3.16Å; S380-N384 PolarHBondContact O-ND2 3.4Å; S380-N384 PolarHBondContact O-OD1 3.26Å |
| 381 | R | 96.2 | Very high | 93.5 | Very high | 143 Ų | 143 | 63.2 Ų | 63.2 | 54% | 0.54 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -65.5 | -41.3 | 174.7 | -78.3 | -179.3 | -73.2 | 152.7 | -7.1 | 112.4 | K377 R378 F379 N384 S385 | K377-R381 WeakPolarHBondContact O-CG 3.44Å; K377-R381 PolarHBondContact O-N 3.13Å; K377-R381 PolarHBondContact O-NE 3.14Å; R378-R381 WeakPolarHBondContact O-CB 3.31Å; R378-R381 PolarHBondContact O-N 3.04Å; F379-R381 VanDerWaalsContact C-N 3.29Å; F379-R381 PolarHBondContact O-N 2.84Å; R381-N384 PolarHBondContact O-N 2.91Å; R381-S385 WeakPolarHBondContact O-CB 3.45Å; R381-S385 PolarHBondContact O-N 3.43Å; R381-S385 PolarHBondContact O-OG 3.43Å; R381-S385 VanDerWaalsContact O-OG 3.13Å |
| 382 | I | 95.2 | Very high | 93.7 | Very high | 6 Ų | 6 | 64.6 Ų | 64.6 | 3% | 0.031 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -62.6 | -49.5 | 176.4 | -66.6 | 167.4 | 0 | 0 | 0 | 109.6 | R378 F379 N384 S385 K386 V391 D395 L398 | R378-I382 HydrophobicContact CG-CD1 4.16Å; R378-I382 WeakPolarHBondContact O-CG1 3.48Å; R378-I382 PolarHBondContact O-N 2.66Å; F379-I382 PolarHBondContact O-N 3.01Å; F379-I382 VanDerWaalsContact O-N 3.1Å; I382-N384 VanDerWaalsContact C-N 3.34Å; I382-N384 PolarHBondContact O-N 3.5Å; I382-S385 WeakPolarHBondContact CA-OG 3.43Å; I382-S385 PolarHBondContact O-N 2.58Å; I382-S385 VanDerWaalsContact O-N 3.1Å; I382-S385 PolarHBondContact O-OG 2.79Å; I382-K386 HydrophobicContact CG2-CD 4.31Å; I382-K386 PolarHBondContact O-N 2.7Å; I382-V391 HydrophobicContact CG2-CG1 4.35Å; I382-V391 HydrophobicContact CG2-CG2 4.12Å; I382-D395 HydrophobicContact CD1-CB 4.27Å; I382-D395 HydrophobicContact CG2-CB 4.07Å; I382-L398 HydrophobicContact CD1-CD2 4.46Å |
| 383 | L | 95.4 | Very high | 94 | Very high | 28 Ų | 28 | 65.5 Ų | 65.5 | 15% | 0.147 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -55.5 | -46.6 | 176.3 | -78.9 | 170.9 | 0 | 0 | 0 | 112.3 | F379 S380 S385 G387 P388 V391 V419 | F379-L383 HydrophobicContact CD1-CD1 3.82Å; F379-L383 HydrophobicContact CE1-CD1 3.52Å; F379-L383 HydrophobicContact CE1-CG 4.28Å; F379-L383 HydrophobicContact CE2-CD1 4.35Å; F379-L383 HydrophobicContact CE2-CG 4.25Å; F379-L383 HydrophobicContact CG-CD1 4.38Å; F379-L383 HydrophobicContact CZ-CD1 3.8Å; F379-L383 HydrophobicContact CZ-CD2 4.34Å; F379-L383 HydrophobicContact CZ-CG 4.1Å; F379-L383 PolarHBondContact O-N 2.63Å; S380-L383 PolarHBondContact O-N 3.4Å; L383-S385 VanDerWaalsContact C-N 3.27Å; L383-S385 PolarHBondContact O-N 2.87Å; L383-G387 WeakPolarHBondContact O-CA 3.44Å; L383-G387 PolarHBondContact O-N 3.4Å; L383-P388 HydrophobicContact CD2-CB 4.43Å; L383-P388 HydrophobicContact CD2-CG 4.28Å; L383-V391 HydrophobicContact CD2-CG2 3.82Å; L383-V419 HydrophobicContact CD2-CG2 3.6Å |
| 384 | N | 95.4 | Very high | 94.2 | Very high | 145 Ų | 145 | 68.5 Ų | 68.5 | 78% | 0.775 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -68.2 | -28 | 179.4 | -68.6 | -8 | 0 | 0 | 0 | 112.9 | S380 R381 I382 | S380-N384 WeakPolarHBondContact O-CB 3.48Å; S380-N384 PolarHBondContact O-N 3.16Å; S380-N384 PolarHBondContact O-ND2 3.4Å; S380-N384 PolarHBondContact O-OD1 3.26Å; R381-N384 PolarHBondContact O-N 2.91Å; I382-N384 VanDerWaalsContact C-N 3.34Å; I382-N384 PolarHBondContact O-N 3.5Å |
| 385 | S | 95.3 | Very high | 94.4 | Very high | 88 Ų | 88 | 66.4 Ų | 66.4 | 62% | 0.615 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -83.6 | -32.7 | -178.8 | 64.3 | 0 | 0 | 0 | 0 | 114.4 | R381 I382 L383 | R381-S385 WeakPolarHBondContact O-CB 3.45Å; R381-S385 PolarHBondContact O-N 3.43Å; R381-S385 PolarHBondContact O-OG 3.43Å; R381-S385 VanDerWaalsContact O-OG 3.13Å; I382-S385 WeakPolarHBondContact CA-OG 3.43Å; I382-S385 PolarHBondContact O-N 2.58Å; I382-S385 VanDerWaalsContact O-N 3.1Å; I382-S385 PolarHBondContact O-OG 2.79Å; L383-S385 VanDerWaalsContact C-N 3.27Å; L383-S385 PolarHBondContact O-N 2.87Å |
| 386 | K | 93.8 | Very high | 94.5 | Very high | 73 Ų | 73 | 66.4 Ų | 66.4 | 32% | 0.317 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -115.4 | -24.8 | -172.8 | -60 | -172.6 | 178.9 | -178.7 | 0 | 113.2 | I382 E390 D395 | I382-K386 HydrophobicContact CG2-CD 4.31Å; I382-K386 PolarHBondContact O-N 2.7Å; K386-E390 HydrophobicContact CB-CB 3.75Å; K386-E390 VanDerWaalsContact O-CB 3.31Å; K386-E390 WeakPolarHBondContact O-CB 3.48Å; K386-E390 VanDerWaalsContact O-CD 3.29Å; K386-E390 WeakPolarHBondContact O-CG 3.38Å; K386-D395 IonicContact NZ-OD1 2.67Å; K386-D395 PolarHBondContact NZ-OD1 2.93Å; K386-D395 IonicContact NZ-OD2 3.23Å; K386-D395 PolarHBondContact NZ-OD2 2.79Å |
| 387 | G | 91.9 | Very high | 94.7 | Very high | 23 Ų | 23 | 64 Ų | 64 | 24% | 0.237 | 34% | 0.341 | C | S | . | . | trans | 76.8 | 160.9 | -165.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | L383 S389 E390 V391 | L383-G387 WeakPolarHBondContact O-CA 3.44Å; L383-G387 PolarHBondContact O-N 3.4Å; G387-S389 VanDerWaalsContact C-N 3.33Å; G387-S389 PolarHBondContact O-N 3.12Å; G387-E390 PolarHBondContact O-N 2.95Å; G387-V391 WeakPolarHBondContact O-CG2 3.33Å | ||
| 388 | P | 93.8 | Very high | 94.7 | Very high | 59 Ų | 59 | 60.5 Ų | 60.5 | 38% | 0.383 | 33% | 0.328 | S | S | . | . | G | 310 helix | trans | -59 | -36.5 | -173.9 | -26.7 | 35.2 | 0 | 0 | 0 | 115.2 | L383 E390 V419 | L383-P388 HydrophobicContact CD2-CB 4.43Å; L383-P388 HydrophobicContact CD2-CG 4.28Å; P388-E390 VanDerWaalsContact C-N 3.3Å; P388-E390 PolarHBondContact O-N 3.06Å; P388-V419 HydrophobicContact CB-CG2 4.17Å |
| 389 | S | 93.6 | Very high | 94.7 | Very high | 117 Ų | 117 | 56.2 Ų | 56.2 | 82% | 0.818 | 31% | 0.312 | S | S | * | . | G | 310 helix | trans | -72 | -20.3 | -177.2 | 50.1 | 0 | 0 | 0 | 0 | 114.2 | G387 | G387-S389 VanDerWaalsContact C-N 3.33Å; G387-S389 PolarHBondContact O-N 3.12Å |
| 390 | E | 94.8 | Very high | 94.5 | Very high | 125 Ų | 125 | 57.6 Ų | 57.6 | 58% | 0.584 | 32% | 0.317 | S | S | * | . | G | 310 helix | trans | -103 | -2.9 | -178.3 | -66 | -172.4 | -177.1 | 0 | 0 | 113 | K386 G387 P388 T392 | K386-E390 HydrophobicContact CB-CB 3.75Å; K386-E390 VanDerWaalsContact O-CB 3.31Å; K386-E390 WeakPolarHBondContact O-CB 3.48Å; K386-E390 VanDerWaalsContact O-CD 3.29Å; K386-E390 WeakPolarHBondContact O-CG 3.38Å; G387-E390 PolarHBondContact O-N 2.95Å; P388-E390 VanDerWaalsContact C-N 3.3Å; P388-E390 PolarHBondContact O-N 3.06Å; E390-T392 PolarHBondContact O-N 3.23Å |
| 391 | V | 95.4 | Very high | 94.2 | Very high | 13 Ų | 13 | 58.9 Ų | 58.9 | 8% | 0.079 | 32% | 0.319 | C | S | . | . | trans | -67.9 | 121 | 173 | -178.9 | 0 | 0 | 0 | 0 | 109.2 | F379 I382 L383 G387 D395 L396 V419 | F379-V391 HydrophobicContact CE2-CG1 4.38Å; I382-V391 HydrophobicContact CG2-CG1 4.35Å; I382-V391 HydrophobicContact CG2-CG2 4.12Å; L383-V391 HydrophobicContact CD2-CG2 3.82Å; G387-V391 WeakPolarHBondContact O-CG2 3.33Å; V391-D395 HydrophobicContact CG1-CB 3.9Å; V391-L396 HydrophobicContact CG1-CD2 4.16Å; V391-L396 HydrophobicContact CG1-CG 4.17Å; V391-V419 HydrophobicContact CB-CG1 3.75Å; V391-V419 HydrophobicContact CB-CG2 4.02Å; V391-V419 HydrophobicContact CG1-CG1 3.78Å; V391-V419 HydrophobicContact CG1-CG2 4.4Å; V391-V419 HydrophobicContact CG2-CG2 3.98Å | ||
| 392 | T | 95.2 | Very high | 93.8 | Very high | 63 Ų | 63 | 56 Ų | 56 | 39% | 0.387 | 32% | 0.318 | S | S | . | . | trans | -91 | 164 | -176.9 | 68 | 0 | 0 | 0 | 0 | 112.3 | E390 L394 D395 L396 | E390-T392 PolarHBondContact O-N 3.23Å; T392-L394 PolarHBondContact O-N 3.22Å; T392-L394 PolarHBondContact OG1-N 2.84Å; T392-D395 WeakPolarHBondContact CB-OD2 3.45Å; T392-D395 PolarHBondContact N-OD2 2.99Å; T392-D395 WeakPolarHBondContact O-CB 3.44Å; T392-D395 PolarHBondContact O-N 3.02Å; T392-D395 VanDerWaalsContact O-N 3.11Å; T392-D395 VanDerWaalsContact OG1-CG 3.27Å; T392-D395 PolarHBondContact OG1-N 3.47Å; T392-D395 VanDerWaalsContact OG1-N 3.16Å; T392-D395 PolarHBondContact OG1-OD2 3.1Å; T392-L396 PolarHBondContact O-N 3.4Å; T392-L396 VanDerWaalsContact O-N 3.17Å | ||
| 393 | M | 94.9 | Very high | 93.5 | Very high | 25 Ų | 25 | 57.4 Ų | 57.4 | 12% | 0.123 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -60.3 | -28.6 | 170.1 | -72.6 | -57.4 | -55.6 | 0 | 0 | 112.9 | L396 F397 F421 S422 K425 F426 L429 | M393-L396 PolarHBondContact O-N 3.45Å; M393-L396 HydrophobicContact SD-CD1 4.07Å; M393-F397 VanDerWaalsContact O-CB 3.26Å; M393-F397 WeakPolarHBondContact O-CB 3.49Å; M393-F397 PolarHBondContact O-N 2.87Å; M393-F421 HydrophobicContact CE-CD2 4.17Å; M393-F421 HydrophobicContact CE-CE2 4.04Å; M393-F421 HydrophobicContact SD-CD2 4.45Å; M393-S422 VanDerWaalsContact CE-O 3.27Å; M393-S422 WeakPolarHBondContact CE-O 3.29Å; M393-S422 PolarHBondContact SD-N 3.25Å; M393-S422 VanDerWaalsContact SD-N 3.39Å; M393-K425 HydrophobicContact CB-CB 4.44Å; M393-K425 HydrophobicContact CE-CB 4.38Å; M393-K425 HydrophobicContact CG-CB 3.9Å; M393-K425 HydrophobicContact CG-CD 3.96Å; M393-F426 HydrophobicContact CE-CB 3.69Å; M393-F426 HydrophobicContact CE-CD2 3.85Å; M393-F426 HydrophobicContact CE-CG 4.28Å; M393-L429 HydrophobicContact CB-CD1 4.05Å |
| 394 | L | 94.4 | Very high | 93.1 | Very high | 117 Ų | 117 | 57.1 Ų | 57.1 | 61% | 0.613 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -69 | -38.4 | 174.3 | -73.7 | 171.3 | 0 | 0 | 0 | 111.9 | T392 L396 F397 L398 L429 | T392-L394 PolarHBondContact O-N 3.22Å; T392-L394 PolarHBondContact OG1-N 2.84Å; L394-L396 VanDerWaalsContact C-N 3.31Å; L394-L396 PolarHBondContact O-N 3.27Å; L394-F397 PolarHBondContact O-N 3.47Å; L394-L398 PolarHBondContact O-N 3.05Å; L394-L429 HydrophobicContact CD2-CD1 4.27Å; L394-L429 HydrophobicContact CD2-CD2 3.61Å |
| 395 | D | 94.9 | Very high | 92.8 | Very high | 23 Ų | 23 | 50.2 Ų | 50.2 | 12% | 0.123 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -62.7 | -40 | 174.5 | -65.1 | -59.5 | 0 | 0 | 0 | 111.3 | I382 K386 V391 T392 L398 | I382-D395 HydrophobicContact CD1-CB 4.27Å; I382-D395 HydrophobicContact CG2-CB 4.07Å; K386-D395 IonicContact NZ-OD1 2.67Å; K386-D395 PolarHBondContact NZ-OD1 2.93Å; K386-D395 IonicContact NZ-OD2 3.23Å; K386-D395 PolarHBondContact NZ-OD2 2.79Å; V391-D395 HydrophobicContact CG1-CB 3.9Å; T392-D395 WeakPolarHBondContact CB-OD2 3.45Å; T392-D395 PolarHBondContact N-OD2 2.99Å; T392-D395 WeakPolarHBondContact O-CB 3.44Å; T392-D395 PolarHBondContact O-N 3.02Å; T392-D395 VanDerWaalsContact O-N 3.11Å; T392-D395 VanDerWaalsContact OG1-CG 3.27Å; T392-D395 PolarHBondContact OG1-N 3.47Å; T392-D395 VanDerWaalsContact OG1-N 3.16Å; T392-D395 PolarHBondContact OG1-OD2 3.1Å; D395-L398 WeakPolarHBondContact O-CB 3.31Å |
| 396 | L | 95.4 | Very high | 92.3 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -70.3 | -40.8 | 174.9 | -65.1 | 177.9 | 0 | 0 | 0 | 111.8 | F379 V391 T392 M393 L394 L398 L399 I410 A414 V419 F421 | F379-L396 HydrophobicContact CD2-CD2 4.33Å; F379-L396 HydrophobicContact CE2-CD2 3.62Å; F379-L396 HydrophobicContact CZ-CD2 4.3Å; V391-L396 HydrophobicContact CG1-CD2 4.16Å; V391-L396 HydrophobicContact CG1-CG 4.17Å; T392-L396 PolarHBondContact O-N 3.4Å; T392-L396 VanDerWaalsContact O-N 3.17Å; M393-L396 PolarHBondContact O-N 3.45Å; M393-L396 HydrophobicContact SD-CD1 4.07Å; L394-L396 VanDerWaalsContact C-N 3.31Å; L394-L396 PolarHBondContact O-N 3.27Å; L396-L398 PolarHBondContact O-N 3.43Å; L396-L399 VanDerWaalsContact O-CB 3.25Å; L396-L399 WeakPolarHBondContact O-CB 3.37Å; L396-L399 PolarHBondContact O-N 3.17Å; L396-I410 HydrophobicContact CB-CG2 3.81Å; L396-I410 HydrophobicContact CD2-CG2 4.16Å; L396-I410 HydrophobicContact CG-CG2 4.44Å; L396-A414 HydrophobicContact CD1-CB 4.15Å; L396-A414 HydrophobicContact CD2-CB 4.3Å; L396-V419 HydrophobicContact CD1-CG1 4.01Å; L396-V419 HydrophobicContact CD2-CG1 4.37Å; L396-F421 HydrophobicContact CD1-CD2 3.98Å |
| 397 | F | 94.7 | Very high | 92 | Very high | 18 Ų | 18 | 44.8 Ų | 44.8 | 8% | 0.079 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -65.2 | -27 | 177.4 | -167.6 | -100.6 | 0 | 0 | 0 | 112.7 | M393 L394 L399 Y400 N401 F426 L429 L430 H433 | M393-F397 VanDerWaalsContact O-CB 3.26Å; M393-F397 WeakPolarHBondContact O-CB 3.49Å; M393-F397 PolarHBondContact O-N 2.87Å; L394-F397 PolarHBondContact O-N 3.47Å; F397-L399 PolarHBondContact O-N 3.16Å; F397-Y400 HydrophobicContact CD2-CD1 4.49Å; F397-Y400 AromaticContact CE2-CD1 3.9Å; F397-Y400 HydrophobicContact CE2-CD1 3.9Å; F397-Y400 HydrophobicContact CE2-CE1 4.43Å; F397-Y400 HydrophobicContact CE2-CG 4.46Å; F397-Y400 AromaticContact CZ-CD1 3.96Å; F397-Y400 HydrophobicContact CZ-CD1 3.96Å; F397-Y400 HydrophobicContact CZ-CE1 4.35Å; F397-Y400 WeakPolarHBondContact O-CB 3.47Å; F397-Y400 PolarHBondContact O-N 3.16Å; F397-Y400 VanDerWaalsContact O-N 3.09Å; F397-N401 HydrophobicContact CD1-CB 4.37Å; F397-N401 HydrophobicContact CE1-CB 4.21Å; F397-N401 PolarHBondContact O-N 3.29Å; F397-F426 HydrophobicContact CD2-CD2 4.3Å; F397-F426 AromaticContact CD2-CE2 3.97Å; F397-F426 HydrophobicContact CD2-CE2 3.97Å; F397-F426 HydrophobicContact CD2-CZ 4.1Å; F397-L429 HydrophobicContact CB-CD1 3.73Å; F397-L429 HydrophobicContact CD1-CB 4.3Å; F397-L429 HydrophobicContact CD2-CB 3.54Å; F397-L429 HydrophobicContact CD2-CD1 4.15Å; F397-L429 HydrophobicContact CD2-CG 4.48Å; F397-L429 HydrophobicContact CE1-CB 4.4Å; F397-L429 HydrophobicContact CE2-CB 3.65Å; F397-L429 HydrophobicContact CG-CB 3.89Å; F397-L429 HydrophobicContact CG-CD1 3.96Å; F397-L429 HydrophobicContact CG-CG 4.47Å; F397-L429 HydrophobicContact CZ-CB 4.1Å; F397-L429 WeakPolarHBondContact CZ-O 3.5Å; F397-L430 HydrophobicContact CE2-CD2 3.79Å; F397-L430 HydrophobicContact CE2-CG 3.96Å; F397-L430 HydrophobicContact CZ-CD2 4.31Å; F397-H433 HydrophobicContact CE1-CB 4Å; F397-H433 HydrophobicContact CZ-CB 3.64Å |
| 398 | L | 94.1 | Very high | 91.6 | Very high | 50 Ų | 50 | 44.5 Ų | 44.5 | 26% | 0.262 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -57.3 | -35.6 | 169.3 | -174.2 | 72.5 | 0 | 0 | 0 | 111.9 | R378 I382 L394 D395 L396 Y400 N401 T402 | R378-L398 HydrophobicContact CG-CD2 4.36Å; I382-L398 HydrophobicContact CD1-CD2 4.46Å; L394-L398 PolarHBondContact O-N 3.05Å; D395-L398 WeakPolarHBondContact O-CB 3.31Å; L396-L398 PolarHBondContact O-N 3.43Å; L398-Y400 VanDerWaalsContact C-N 3.28Å; L398-Y400 PolarHBondContact O-N 3.16Å; L398-N401 PolarHBondContact O-N 2.96Å; L398-T402 WeakPolarHBondContact CD1-OG1 3.31Å; L398-T402 VanDerWaalsContact O-CB 3.24Å; L398-T402 WeakPolarHBondContact O-CB 3.49Å; L398-T402 PolarHBondContact O-N 3.34Å; L398-T402 PolarHBondContact O-OG1 3.2Å |
| 399 | L | 93.7 | Very high | 91.2 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -64.8 | -35.4 | 177.3 | -56.3 | -178.1 | 0 | 0 | 0 | 112 | A375 F379 L396 F397 F403 G404 L405 I410 | A375-L399 HydrophobicContact CB-CD2 4.42Å; F379-L399 HydrophobicContact CB-CD1 4.14Å; F379-L399 HydrophobicContact CB-CD2 4.25Å; F379-L399 HydrophobicContact CD2-CD1 3.91Å; F379-L399 HydrophobicContact CG-CD1 4.12Å; L396-L399 VanDerWaalsContact O-CB 3.25Å; L396-L399 WeakPolarHBondContact O-CB 3.37Å; L396-L399 PolarHBondContact O-N 3.17Å; F397-L399 PolarHBondContact O-N 3.16Å; L399-F403 HydrophobicContact CD2-CD2 4.17Å; L399-F403 HydrophobicContact CD2-CE2 4.35Å; L399-F403 CarbonylContact O-C 3.45Å; L399-F403 WeakPolarHBondContact O-CB 3.48Å; L399-F403 PolarHBondContact O-N 3.14Å; L399-G404 PolarHBondContact O-N 3.07Å; L399-L405 HydrophobicContact CB-CD2 4.29Å; L399-L405 PolarHBondContact O-N 3.33Å; L399-I410 HydrophobicContact CB-CD1 4.04Å; L399-I410 HydrophobicContact CB-CG1 4.04Å |
| 400 | Y | 91.7 | Very high | 91.2 | Very high | 34 Ų | 34 | 36.2 Ų | 36.2 | 13% | 0.133 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -70.5 | -56.8 | 172.3 | 176.4 | -90.7 | 0 | 0 | 0 | 111.1 | Y309 F397 L398 T402 G404 L405 F426 L430 | Y309-Y400 PolarHBondContact OH-OH 3.28Å; F397-Y400 HydrophobicContact CD2-CD1 4.49Å; F397-Y400 AromaticContact CE2-CD1 3.9Å; F397-Y400 HydrophobicContact CE2-CD1 3.9Å; F397-Y400 HydrophobicContact CE2-CE1 4.43Å; F397-Y400 HydrophobicContact CE2-CG 4.46Å; F397-Y400 AromaticContact CZ-CD1 3.96Å; F397-Y400 HydrophobicContact CZ-CD1 3.96Å; F397-Y400 HydrophobicContact CZ-CE1 4.35Å; F397-Y400 WeakPolarHBondContact O-CB 3.47Å; F397-Y400 PolarHBondContact O-N 3.16Å; F397-Y400 VanDerWaalsContact O-N 3.09Å; L398-Y400 VanDerWaalsContact C-N 3.28Å; L398-Y400 PolarHBondContact O-N 3.16Å; Y400-T402 PolarHBondContact O-N 2.84Å; Y400-G404 WeakPolarHBondContact O-CA 3.47Å; Y400-G404 PolarHBondContact O-N 3.41Å; Y400-L405 VanDerWaalsContact CD2-O 3.31Å; Y400-L405 WeakPolarHBondContact CD2-O 3.48Å; Y400-F426 HydrophobicContact CD2-CE1 4.36Å; Y400-F426 HydrophobicContact CD2-CZ 4.03Å; Y400-F426 HydrophobicContact CG-CZ 4.03Å; Y400-L430 HydrophobicContact CD1-CD2 3.99Å; Y400-L430 HydrophobicContact CD2-CD2 4.36Å; Y400-L430 HydrophobicContact CE1-CD2 3.41Å; Y400-L430 VanDerWaalsContact CE1-CD2 3.41Å; Y400-L430 HydrophobicContact CE2-CD2 3.79Å; Y400-L430 HydrophobicContact CG-CD2 4.44Å; Y400-L430 WeakPolarHBondContact OH-CD2 3.44Å |
| 401 | N | 88.4 | Confident | 91 | Very high | 86 Ų | 86 | 33.3 Ų | 33.3 | 46% | 0.46 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -67.2 | -41.3 | -170.5 | -173 | 37.1 | 0 | 0 | 0 | 112.6 | F397 L398 H433 | F397-N401 HydrophobicContact CD1-CB 4.37Å; F397-N401 HydrophobicContact CE1-CB 4.21Å; F397-N401 PolarHBondContact O-N 3.29Å; L398-N401 PolarHBondContact O-N 2.96Å; N401-H433 PolarHBondContact OD1-CE1 3.49Å |
| 402 | T | 88.4 | Confident | 90.7 | Very high | 83 Ų | 83 | 34.5 Ų | 34.5 | 51% | 0.509 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -90.9 | -39.5 | -174.7 | -57 | 0 | 0 | 0 | 0 | 113.2 | L398 Y400 | L398-T402 WeakPolarHBondContact CD1-OG1 3.31Å; L398-T402 VanDerWaalsContact O-CB 3.24Å; L398-T402 WeakPolarHBondContact O-CB 3.49Å; L398-T402 PolarHBondContact O-N 3.34Å; L398-T402 PolarHBondContact O-OG1 3.2Å; Y400-T402 PolarHBondContact O-N 2.84Å |
| 403 | F | 88.5 | Confident | 90.4 | Very high | 35 Ų | 35 | 32.3 Ų | 32.3 | 15% | 0.154 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -108.5 | -7.8 | -173.3 | -56.3 | -83.3 | 0 | 0 | 0 | 112.9 | N374 A375 R378 L399 L405 | N374-F403 HydrophobicContact CB-CD1 3.96Å; N374-F403 HydrophobicContact CB-CE1 3.63Å; A375-F403 HydrophobicContact CB-CB 3.74Å; A375-F403 HydrophobicContact CB-CD1 4.12Å; A375-F403 HydrophobicContact CB-CD2 4.09Å; A375-F403 HydrophobicContact CB-CG 3.71Å; R378-F403 HydrophobicContact CB-CE2 3.92Å; R378-F403 HydrophobicContact CB-CZ 3.82Å; R378-F403 HydrophobicContact CG-CE2 3.93Å; R378-F403 HydrophobicContact CG-CZ 4.11Å; L399-F403 HydrophobicContact CD2-CD2 4.17Å; L399-F403 HydrophobicContact CD2-CE2 4.35Å; L399-F403 CarbonylContact O-C 3.45Å; L399-F403 WeakPolarHBondContact O-CB 3.48Å; L399-F403 PolarHBondContact O-N 3.14Å; F403-L405 VanDerWaalsContact C-N 3.31Å; F403-L405 HydrophobicContact CB-CD1 3.69Å; F403-L405 PolarHBondContact O-N 3.21Å |
| 404 | G | 86.7 | Confident | 90.4 | Very high | 22 Ų | 22 | 31.1 Ų | 31.1 | 23% | 0.227 | 17% | 0.165 | C | C | . | . | trans | 68.5 | 28.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | R316 L399 Y400 | R316-G404 VanDerWaalsContact NH1-CA 3.34Å; R316-G404 PolarHBondContact NH1-O 3.49Å; L399-G404 PolarHBondContact O-N 3.07Å; Y400-G404 WeakPolarHBondContact O-CA 3.47Å; Y400-G404 PolarHBondContact O-N 3.41Å | ||
| 405 | L | 89.2 | Confident | 90.2 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 17% | 0.165 | C | C | . | . | trans | -69.7 | 132 | 175 | -91.2 | 61.6 | 0 | 0 | 0 | 109.9 | F368 L372 A375 L399 Y400 F403 V409 I410 L413 | F368-L405 HydrophobicContact CE2-CD1 4.05Å; F368-L405 HydrophobicContact CZ-CD1 4.15Å; F368-L405 HydrophobicContact CZ-CG 4.36Å; L372-L405 HydrophobicContact CD1-CD1 4.41Å; L372-L405 HydrophobicContact CD1-CD2 4.2Å; L372-L405 HydrophobicContact CD1-CG 4.36Å; A375-L405 HydrophobicContact CB-CD1 3.51Å; A375-L405 HydrophobicContact CB-CD2 3.78Å; A375-L405 HydrophobicContact CB-CG 4.33Å; L399-L405 HydrophobicContact CB-CD2 4.29Å; L399-L405 PolarHBondContact O-N 3.33Å; Y400-L405 VanDerWaalsContact CD2-O 3.31Å; Y400-L405 WeakPolarHBondContact CD2-O 3.48Å; F403-L405 VanDerWaalsContact C-N 3.31Å; F403-L405 HydrophobicContact CB-CD1 3.69Å; F403-L405 PolarHBondContact O-N 3.21Å; L405-V409 HydrophobicContact CB-CG1 4.4Å; L405-V409 HydrophobicContact CD2-CG1 3.87Å; L405-V409 HydrophobicContact CG-CG1 3.99Å; L405-I410 HydrophobicContact CB-CD1 4.03Å; L405-I410 HydrophobicContact CB-CG1 3.79Å; L405-I410 HydrophobicContact CD2-CG1 4.44Å; L405-I410 WeakPolarHBondContact O-CD1 3.34Å; L405-L413 HydrophobicContact CD2-CD1 3.8Å | ||
| 406 | P | 84.6 | Confident | 90 | Very high | 5 Ų | 5 | 33.7 Ų | 33.7 | 3% | 0.032 | 18% | 0.179 | C | C | . | . | trans | -59.3 | 151.4 | 171.8 | -22.5 | 32.5 | 0 | 0 | 0 | 112.2 | K313 R316 S408 V409 I410 | K313-P406 HydrophobicContact CG-CB 4.04Å; K313-P406 HydrophobicContact CG-CG 4.23Å; R316-P406 HydrophobicContact CB-CG 3.93Å; P406-S408 VanDerWaalsContact C-N 3.28Å; P406-S408 PolarHBondContact O-N 3.35Å; P406-V409 HydrophobicContact CB-CG2 4.12Å; P406-V409 HydrophobicContact CG-CG2 4.03Å; P406-V409 WeakPolarHBondContact O-CB 3.4Å; P406-V409 PolarHBondContact O-N 2.96Å; P406-I410 PolarHBondContact O-N 3.22Å; P406-I410 VanDerWaalsContact O-N 3.13Å | ||
| 407 | R | 87.9 | Confident | 89.8 | Confident | 42 Ų | 42 | 35.3 Ų | 35.3 | 16% | 0.158 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -48.6 | -48.3 | 175.5 | -175.2 | -174.4 | 69.4 | 76.6 | 4.1 | 112.6 | D83 V409 I410 E411 F421 F426 E427 | D83-R407 IonicContact OD2-CZ 3.42Å; D83-R407 IonicContact OD2-NE 3.05Å; D83-R407 IonicContact OD2-NH2 3.01Å; D83-R407 PolarHBondContact OD2-NH2 2.92Å; R407-V409 PolarHBondContact O-N 2.93Å; R407-I410 PolarHBondContact O-N 3.34Å; R407-I410 VanDerWaalsContact O-N 3.1Å; R407-E411 IonicContact CZ-OE2 2.76Å; R407-E411 IonicContact NH1-OE2 3.06Å; R407-E411 PolarHBondContact NH1-OE2 3.39Å; R407-E411 WeakPolarHBondContact O-CB 3.49Å; R407-E411 PolarHBondContact O-N 2.82Å; R407-F421 HydrophobicContact CG-CZ 3.85Å; R407-F426 HydrophobicContact CB-CD1 4.18Å; R407-F426 HydrophobicContact CB-CE1 3.73Å; R407-F426 HydrophobicContact CB-CZ 4.23Å; R407-F426 HydrophobicContact CG-CD1 3.63Å; R407-F426 HydrophobicContact CG-CE1 3.69Å; R407-F426 HydrophobicContact CG-CG 4.17Å; R407-F426 HydrophobicContact CG-CZ 4.28Å; R407-E427 IonicContact NE-OE1 3.53Å |
| 408 | S | 83.3 | Confident | 89.8 | Confident | 18 Ų | 18 | 39.3 Ų | 39.3 | 13% | 0.126 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -59.6 | -34.4 | -179.6 | 60.8 | 0 | 0 | 0 | 0 | 113.2 | P406 D412 | P406-S408 VanDerWaalsContact C-N 3.28Å; P406-S408 PolarHBondContact O-N 3.35Å; S408-D412 WeakPolarHBondContact O-CB 3.27Å; S408-D412 PolarHBondContact O-N 3.46Å; S408-D412 VanDerWaalsContact O-N 3.08Å |
| 409 | V | 86.4 | Confident | 89.9 | Confident | 1 Ų | 1 | 37.2 Ų | 37.2 | 1% | 0.006 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -71.6 | -40.6 | 177.1 | 173.5 | 0 | 0 | 0 | 0 | 110.8 | Y320 L405 P406 R407 D412 L413 | Y320-V409 HydrophobicContact CD1-CB 4.11Å; Y320-V409 HydrophobicContact CD1-CG1 3.85Å; Y320-V409 HydrophobicContact CD1-CG2 3.57Å; Y320-V409 HydrophobicContact CD2-CB 4.35Å; Y320-V409 HydrophobicContact CD2-CG1 3.3Å; Y320-V409 HydrophobicContact CD2-CG2 4.25Å; Y320-V409 HydrophobicContact CE1-CB 4.36Å; Y320-V409 HydrophobicContact CE1-CG1 3.97Å; Y320-V409 HydrophobicContact CE1-CG2 4.28Å; Y320-V409 HydrophobicContact CE2-CG1 3.45Å; Y320-V409 VanDerWaalsContact CE2-CG1 3.45Å; Y320-V409 HydrophobicContact CG-CB 4.07Å; Y320-V409 HydrophobicContact CG-CG1 3.49Å; Y320-V409 VanDerWaalsContact CG-CG1 3.49Å; Y320-V409 HydrophobicContact CG-CG2 3.52Å; L405-V409 HydrophobicContact CB-CG1 4.4Å; L405-V409 HydrophobicContact CD2-CG1 3.87Å; L405-V409 HydrophobicContact CG-CG1 3.99Å; P406-V409 HydrophobicContact CB-CG2 4.12Å; P406-V409 HydrophobicContact CG-CG2 4.03Å; P406-V409 WeakPolarHBondContact O-CB 3.4Å; P406-V409 PolarHBondContact O-N 2.96Å; R407-V409 PolarHBondContact O-N 2.93Å; V409-D412 PolarHBondContact O-N 3.17Å; V409-L413 HydrophobicContact CG1-CD1 4.31Å; V409-L413 WeakPolarHBondContact O-CG 3.24Å; V409-L413 PolarHBondContact O-N 3.14Å |
| 410 | I | 92 | Very high | 89.9 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -67.7 | -42.3 | 178.3 | -64.3 | 167.9 | 0 | 0 | 0 | 110.6 | L396 L399 L405 P406 R407 L413 A414 F421 F426 | L396-I410 HydrophobicContact CB-CG2 3.81Å; L396-I410 HydrophobicContact CD2-CG2 4.16Å; L396-I410 HydrophobicContact CG-CG2 4.44Å; L399-I410 HydrophobicContact CB-CD1 4.04Å; L399-I410 HydrophobicContact CB-CG1 4.04Å; L405-I410 HydrophobicContact CB-CD1 4.03Å; L405-I410 HydrophobicContact CB-CG1 3.79Å; L405-I410 HydrophobicContact CD2-CG1 4.44Å; L405-I410 WeakPolarHBondContact O-CD1 3.34Å; P406-I410 PolarHBondContact O-N 3.22Å; P406-I410 VanDerWaalsContact O-N 3.13Å; R407-I410 PolarHBondContact O-N 3.34Å; R407-I410 VanDerWaalsContact O-N 3.1Å; I410-L413 PolarHBondContact O-N 3.11Å; I410-A414 WeakPolarHBondContact O-CB 3.38Å; I410-A414 PolarHBondContact O-N 3.46Å; I410-F421 HydrophobicContact CG2-CE2 4.17Å; I410-F426 HydrophobicContact CD1-CE2 3.91Å; I410-F426 HydrophobicContact CD1-CZ 3.85Å; I410-F426 HydrophobicContact CG2-CE2 4.33Å |
| 411 | E | 91.8 | Very high | 90.1 | Very high | 65 Ų | 65 | 42.8 Ų | 42.8 | 30% | 0.304 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -59.3 | -48.3 | 175 | -177.8 | 167.1 | -161.5 | 0 | 0 | 111.1 | R407 L413 A414 V415 F421 | R407-E411 IonicContact CZ-OE2 2.76Å; R407-E411 IonicContact NH1-OE2 3.06Å; R407-E411 PolarHBondContact NH1-OE2 3.39Å; R407-E411 WeakPolarHBondContact O-CB 3.49Å; R407-E411 PolarHBondContact O-N 2.82Å; E411-L413 PolarHBondContact O-N 3.06Å; E411-A414 PolarHBondContact O-N 3.26Å; E411-V415 WeakPolarHBondContact O-CG2 3.41Å; E411-V415 PolarHBondContact O-N 2.98Å; E411-F421 HydrophobicContact CB-CD1 3.98Å; E411-F421 HydrophobicContact CB-CD2 4.29Å; E411-F421 HydrophobicContact CB-CE1 3.91Å; E411-F421 HydrophobicContact CB-CE2 4.23Å; E411-F421 HydrophobicContact CB-CG 4.19Å; E411-F421 HydrophobicContact CB-CZ 4.05Å; E411-F421 HydrophobicContact CG-CD1 3.62Å; E411-F421 HydrophobicContact CG-CE1 3.86Å; E411-F421 HydrophobicContact CG-CG 4.08Å |
| 412 | D | 88.3 | Confident | 90.3 | Very high | 37 Ų | 37 | 40.2 Ų | 40.2 | 20% | 0.198 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -62.2 | -42.5 | 176.7 | 179.1 | 66.4 | 0 | 0 | 0 | 112.8 | Y320 S408 V409 A414 V415 K416 | Y320-D412 HydrophobicContact CE1-CB 4.26Å; Y320-D412 VanDerWaalsContact CE1-OD2 3.23Å; Y320-D412 WeakPolarHBondContact CE1-OD2 3.49Å; Y320-D412 VanDerWaalsContact CZ-OD2 3.3Å; Y320-D412 PolarHBondContact OH-OD2 3.35Å; S408-D412 WeakPolarHBondContact O-CB 3.27Å; S408-D412 PolarHBondContact O-N 3.46Å; S408-D412 VanDerWaalsContact O-N 3.08Å; V409-D412 PolarHBondContact O-N 3.17Å; D412-A414 VanDerWaalsContact C-N 3.32Å; D412-A414 PolarHBondContact O-N 3.04Å; D412-V415 PolarHBondContact O-N 3.46Å; D412-K416 WeakPolarHBondContact O-CB 3.39Å; D412-K416 WeakPolarHBondContact O-CG 3.38Å; D412-K416 PolarHBondContact O-N 2.88Å; D412-K416 WeakPolarHBondContact OD1-CE 3.39Å; D412-K416 IonicContact OD1-NZ 2.64Å; D412-K416 PolarHBondContact OD1-NZ 3.23Å; D412-K416 IonicContact OD2-NZ 3.76Å; D412-K416 PolarHBondContact OD2-NZ 3.44Å |
| 413 | L | 90.5 | Very high | 90.4 | Very high | 17 Ų | 17 | 38.4 Ų | 38.4 | 9% | 0.089 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -61.5 | -40.2 | 174.5 | -76.1 | 173 | 0 | 0 | 0 | 112.4 | Y320 F379 L405 V409 I410 E411 S417 | Y320-L413 HydrophobicContact CE2-CD2 4.36Å; Y320-L413 HydrophobicContact CE2-CG 4.36Å; F379-L413 HydrophobicContact CE1-CB 4.15Å; L405-L413 HydrophobicContact CD2-CD1 3.8Å; V409-L413 HydrophobicContact CG1-CD1 4.31Å; V409-L413 WeakPolarHBondContact O-CG 3.24Å; V409-L413 PolarHBondContact O-N 3.14Å; I410-L413 PolarHBondContact O-N 3.11Å; E411-L413 PolarHBondContact O-N 3.06Å; L413-S417 WeakPolarHBondContact O-CB 3.21Å; L413-S417 PolarHBondContact O-N 3.48Å; L413-S417 PolarHBondContact O-OG 2.9Å |
| 414 | A | 93.7 | Very high | 90.7 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -66 | -50 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111 | L396 I410 E411 D412 K416 S417 S418 V419 F421 | L396-A414 HydrophobicContact CD1-CB 4.15Å; L396-A414 HydrophobicContact CD2-CB 4.3Å; I410-A414 WeakPolarHBondContact O-CB 3.38Å; I410-A414 PolarHBondContact O-N 3.46Å; E411-A414 PolarHBondContact O-N 3.26Å; D412-A414 VanDerWaalsContact C-N 3.32Å; D412-A414 PolarHBondContact O-N 3.04Å; A414-K416 PolarHBondContact O-N 3.23Å; A414-S417 CarbonylContact O-C 3.56Å; A414-S417 PolarHBondContact O-N 2.71Å; A414-S418 PolarHBondContact O-N 3.04Å; A414-S418 VanDerWaalsContact O-N 3.16Å; A414-V419 CarbonylContact C-O 3.6Å; A414-V419 HydrophobicContact CB-CB 4.01Å; A414-V419 HydrophobicContact CB-CG1 4.16Å; A414-V419 PolarHBondContact O-N 3.41Å; A414-F421 HydrophobicContact CB-CB 4.06Å |
| 415 | V | 91.1 | Very high | 91 | Very high | 99 Ų | 99 | 47.8 Ų | 47.8 | 60% | 0.6 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -58.4 | -47.3 | 179 | 171.4 | 0 | 0 | 0 | 0 | 111.3 | E411 D412 S417 S418 | E411-V415 WeakPolarHBondContact O-CG2 3.41Å; E411-V415 PolarHBondContact O-N 2.98Å; D412-V415 PolarHBondContact O-N 3.46Å; V415-S417 PolarHBondContact O-N 3.48Å; V415-S417 VanDerWaalsContact O-N 3.17Å; V415-S418 PolarHBondContact O-N 2.83Å; V415-S418 VanDerWaalsContact O-N 3.16Å |
| 416 | K | 89 | Confident | 91.2 | Very high | 95 Ų | 95 | 47.8 Ų | 47.8 | 41% | 0.413 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -63.5 | -20.8 | 177.9 | -77.2 | 172.9 | 173.4 | 147.9 | 0 | 114.2 | M324 D412 A414 | M324-K416 HydrophobicContact CE-CD 4.33Å; D412-K416 WeakPolarHBondContact O-CB 3.39Å; D412-K416 WeakPolarHBondContact O-CG 3.38Å; D412-K416 PolarHBondContact O-N 2.88Å; D412-K416 WeakPolarHBondContact OD1-CE 3.39Å; D412-K416 IonicContact OD1-NZ 2.64Å; D412-K416 PolarHBondContact OD1-NZ 3.23Å; D412-K416 IonicContact OD2-NZ 3.76Å; D412-K416 PolarHBondContact OD2-NZ 3.44Å; A414-K416 PolarHBondContact O-N 3.23Å |
| 417 | S | 93.3 | Very high | 91.5 | Very high | 34 Ų | 34 | 52 Ų | 52 | 24% | 0.238 | 28% | 0.283 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106 | 12.4 | -179.2 | -50.2 | 0 | 0 | 0 | 0 | 112.8 | F379 L413 A414 V415 V419 | F379-S417 WeakPolarHBondContact CE1-OG 3.4Å; L413-S417 WeakPolarHBondContact O-CB 3.21Å; L413-S417 PolarHBondContact O-N 3.48Å; L413-S417 PolarHBondContact O-OG 2.9Å; A414-S417 CarbonylContact O-C 3.56Å; A414-S417 PolarHBondContact O-N 2.71Å; V415-S417 PolarHBondContact O-N 3.48Å; V415-S417 VanDerWaalsContact O-N 3.17Å; S417-V419 PolarHBondContact O-N 3.46Å; S417-V419 VanDerWaalsContact O-N 3.16Å |
| 418 | S | 93.9 | Very high | 91.7 | Very high | 102 Ų | 102 | 54.3 Ų | 54.3 | 71% | 0.713 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.7 | 30.2 | -176 | -55.5 | 0 | 0 | 0 | 0 | 113.6 | A414 V415 | A414-S418 PolarHBondContact O-N 3.04Å; A414-S418 VanDerWaalsContact O-N 3.16Å; V415-S418 PolarHBondContact O-N 2.83Å; V415-S418 VanDerWaalsContact O-N 3.16Å |
| 419 | V | 95.9 | Very high | 92.2 | Very high | 7 Ų | 7 | 55.2 Ų | 55.2 | 4% | 0.042 | 30% | 0.298 | C | S | . | . | trans | -91.3 | 134.9 | 174 | 172.4 | 0 | 0 | 0 | 0 | 108.9 | F379 L383 P388 V391 L396 A414 S417 F421 | F379-V419 HydrophobicContact CZ-CG2 4.17Å; L383-V419 HydrophobicContact CD2-CG2 3.6Å; P388-V419 HydrophobicContact CB-CG2 4.17Å; V391-V419 HydrophobicContact CB-CG1 3.75Å; V391-V419 HydrophobicContact CB-CG2 4.02Å; V391-V419 HydrophobicContact CG1-CG1 3.78Å; V391-V419 HydrophobicContact CG1-CG2 4.4Å; V391-V419 HydrophobicContact CG2-CG2 3.98Å; L396-V419 HydrophobicContact CD1-CG1 4.01Å; L396-V419 HydrophobicContact CD2-CG1 4.37Å; A414-V419 CarbonylContact C-O 3.6Å; A414-V419 HydrophobicContact CB-CB 4.01Å; A414-V419 HydrophobicContact CB-CG1 4.16Å; A414-V419 PolarHBondContact O-N 3.41Å; S417-V419 PolarHBondContact O-N 3.46Å; S417-V419 VanDerWaalsContact O-N 3.16Å; V419-F421 PolarHBondContact O-N 3.28Å | ||
| 420 | T | 94 | Very high | 92.2 | Very high | 118 Ų | 118 | 55.8 Ų | 55.8 | 72% | 0.724 | 30% | 0.301 | S | S | * | . | trans | -69.5 | 125.2 | 176.3 | -61 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 421 | F | 94.6 | Very high | 92 | Very high | 32 Ų | 32 | 63 Ų | 63 | 14% | 0.14 | 33% | 0.329 | C | S | . | . | trans | -112.3 | 135.2 | 173.5 | -177.3 | -93.4 | 0 | 0 | 0 | 110.4 | M393 L396 R407 I410 E411 A414 V419 A423 F426 | M393-F421 HydrophobicContact CE-CD2 4.17Å; M393-F421 HydrophobicContact CE-CE2 4.04Å; M393-F421 HydrophobicContact SD-CD2 4.45Å; L396-F421 HydrophobicContact CD1-CD2 3.98Å; R407-F421 HydrophobicContact CG-CZ 3.85Å; I410-F421 HydrophobicContact CG2-CE2 4.17Å; E411-F421 HydrophobicContact CB-CD1 3.98Å; E411-F421 HydrophobicContact CB-CD2 4.29Å; E411-F421 HydrophobicContact CB-CE1 3.91Å; E411-F421 HydrophobicContact CB-CE2 4.23Å; E411-F421 HydrophobicContact CB-CG 4.19Å; E411-F421 HydrophobicContact CB-CZ 4.05Å; E411-F421 HydrophobicContact CG-CD1 3.62Å; E411-F421 HydrophobicContact CG-CE1 3.86Å; E411-F421 HydrophobicContact CG-CG 4.08Å; A414-F421 HydrophobicContact CB-CB 4.06Å; V419-F421 PolarHBondContact O-N 3.28Å; F421-A423 HydrophobicContact CE1-CB 4.13Å; F421-F426 HydrophobicContact CE2-CB 4.34Å; F421-F426 AromaticContact CE2-CD2 3.76Å; F421-F426 HydrophobicContact CE2-CD2 3.76Å; F421-F426 HydrophobicContact CE2-CE2 4.38Å; F421-F426 HydrophobicContact CE2-CG 4.21Å; F421-F426 HydrophobicContact CZ-CB 3.93Å; F421-F426 HydrophobicContact CZ-CD2 4.02Å; F421-F426 AromaticContact CZ-CG 4Å; F421-F426 HydrophobicContact CZ-CG 4Å | ||
| 422 | S | 94.4 | Very high | 91.9 | Very high | 33 Ų | 33 | 65.3 Ų | 65.3 | 23% | 0.231 | 34% | 0.339 | C | S | . | . | trans | -121.1 | 111.3 | 173.7 | 173.3 | 0 | 0 | 0 | 0 | 109.7 | M393 Q424 K425 F426 | M393-S422 VanDerWaalsContact CE-O 3.27Å; M393-S422 WeakPolarHBondContact CE-O 3.29Å; M393-S422 PolarHBondContact SD-N 3.25Å; M393-S422 VanDerWaalsContact SD-N 3.39Å; S422-Q424 VanDerWaalsContact C-N 3.29Å; S422-Q424 PolarHBondContact O-N 3.47Å; S422-K425 PolarHBondContact O-N 3.23Å; S422-K425 PolarHBondContact OG-N 3.07Å; S422-F426 PolarHBondContact O-N 3.42Å | ||
| 423 | A | 90.4 | Very high | 91.7 | Very high | 45 Ų | 45 | 66.2 Ų | 66.2 | 37% | 0.372 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -58.1 | -43.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | F421 F426 E427 | F421-A423 HydrophobicContact CE1-CB 4.13Å; A423-F426 WeakPolarHBondContact O-CB 3.49Å; A423-F426 PolarHBondContact O-N 2.93Å; A423-E427 WeakPolarHBondContact O-CG 3.37Å; A423-E427 PolarHBondContact O-N 3.38Å |
| 424 | Q | 93.2 | Very high | 91.2 | Very high | 138 Ų | 138 | 70.9 Ų | 70.9 | 65% | 0.645 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -58.6 | -51.3 | 178.1 | -176.5 | -178 | -5.7 | 0 | 0 | 112.3 | S422 F426 E427 E428 | S422-Q424 VanDerWaalsContact C-N 3.29Å; S422-Q424 PolarHBondContact O-N 3.47Å; Q424-F426 PolarHBondContact O-N 3.17Å; Q424-E427 PolarHBondContact O-N 3.28Å; Q424-E427 VanDerWaalsContact O-N 3.16Å; Q424-E428 PolarHBondContact NE2-OE1 2.86Å; Q424-E428 WeakPolarHBondContact O-CG 3.4Å; Q424-E428 PolarHBondContact O-N 2.93Å |
| 425 | K | 94.1 | Very high | 90.5 | Very high | 115 Ų | 115 | 73.9 Ų | 73.9 | 50% | 0.5 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -63.7 | -32.5 | 178.2 | -69.4 | -178.8 | 178.8 | -179.6 | 0 | 112.3 | M393 S422 E428 L429 | M393-K425 HydrophobicContact CB-CB 4.44Å; M393-K425 HydrophobicContact CE-CB 4.38Å; M393-K425 HydrophobicContact CG-CB 3.9Å; M393-K425 HydrophobicContact CG-CD 3.96Å; S422-K425 PolarHBondContact O-N 3.23Å; S422-K425 PolarHBondContact OG-N 3.07Å; K425-E428 PolarHBondContact O-N 2.78Å; K425-L429 WeakPolarHBondContact O-CG 3.19Å; K425-L429 PolarHBondContact O-N 2.99Å |
| 426 | F | 92.9 | Very high | 89.8 | Confident | 0 Ų | 0 | 71.6 Ų | 71.6 | 0% | 0 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -66.3 | -41.9 | 175.5 | -163.3 | -86 | 0 | 0 | 0 | 111.4 | M393 F397 Y400 R407 I410 F421 S422 A423 Q424 L429 L430 | M393-F426 HydrophobicContact CE-CB 3.69Å; M393-F426 HydrophobicContact CE-CD2 3.85Å; M393-F426 HydrophobicContact CE-CG 4.28Å; F397-F426 HydrophobicContact CD2-CD2 4.3Å; F397-F426 AromaticContact CD2-CE2 3.97Å; F397-F426 HydrophobicContact CD2-CE2 3.97Å; F397-F426 HydrophobicContact CD2-CZ 4.1Å; Y400-F426 HydrophobicContact CD2-CE1 4.36Å; Y400-F426 HydrophobicContact CD2-CZ 4.03Å; Y400-F426 HydrophobicContact CG-CZ 4.03Å; R407-F426 HydrophobicContact CB-CD1 4.18Å; R407-F426 HydrophobicContact CB-CE1 3.73Å; R407-F426 HydrophobicContact CB-CZ 4.23Å; R407-F426 HydrophobicContact CG-CD1 3.63Å; R407-F426 HydrophobicContact CG-CE1 3.69Å; R407-F426 HydrophobicContact CG-CG 4.17Å; R407-F426 HydrophobicContact CG-CZ 4.28Å; I410-F426 HydrophobicContact CD1-CE2 3.91Å; I410-F426 HydrophobicContact CD1-CZ 3.85Å; I410-F426 HydrophobicContact CG2-CE2 4.33Å; F421-F426 HydrophobicContact CE2-CB 4.34Å; F421-F426 AromaticContact CE2-CD2 3.76Å; F421-F426 HydrophobicContact CE2-CD2 3.76Å; F421-F426 HydrophobicContact CE2-CE2 4.38Å; F421-F426 HydrophobicContact CE2-CG 4.21Å; F421-F426 HydrophobicContact CZ-CB 3.93Å; F421-F426 HydrophobicContact CZ-CD2 4.02Å; F421-F426 AromaticContact CZ-CG 4Å; F421-F426 HydrophobicContact CZ-CG 4Å; S422-F426 PolarHBondContact O-N 3.42Å; A423-F426 WeakPolarHBondContact O-CB 3.49Å; A423-F426 PolarHBondContact O-N 2.93Å; Q424-F426 PolarHBondContact O-N 3.17Å; F426-L429 PolarHBondContact O-N 3.3Å; F426-L430 HydrophobicContact CD1-CD1 3.72Å; F426-L430 HydrophobicContact CD1-CG 3.93Å; F426-L430 HydrophobicContact CE1-CD1 3.72Å; F426-L430 HydrophobicContact CE1-CD2 4.13Å; F426-L430 HydrophobicContact CE1-CG 3.84Å; F426-L430 WeakPolarHBondContact O-CG 3.49Å; F426-L430 PolarHBondContact O-N 3.41Å |
| 427 | E | 90.4 | Very high | 88.9 | Confident | 94 Ų | 94 | 69.9 Ų | 69.9 | 44% | 0.439 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -65.3 | -38.6 | 175.1 | -68.8 | -57.2 | 145.4 | 0 | 0 | 112.4 | R407 A423 Q424 L429 L430 W431 | R407-E427 IonicContact NE-OE1 3.53Å; A423-E427 WeakPolarHBondContact O-CG 3.37Å; A423-E427 PolarHBondContact O-N 3.38Å; Q424-E427 PolarHBondContact O-N 3.28Å; Q424-E427 VanDerWaalsContact O-N 3.16Å; E427-L429 PolarHBondContact O-N 3.06Å; E427-L430 WeakPolarHBondContact O-CB 2.91Å; E427-L430 PolarHBondContact O-N 2.89Å; E427-W431 PolarHBondContact O-N 2.84Å |
| 428 | E | 92.4 | Very high | 87.6 | Confident | 91 Ų | 91 | 76.2 Ų | 76.2 | 43% | 0.425 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -58.9 | -46.7 | 172.4 | -70.6 | 166.2 | -171.2 | 0 | 0 | 111.2 | Q424 K425 L430 W431 H432 | Q424-E428 PolarHBondContact NE2-OE1 2.86Å; Q424-E428 WeakPolarHBondContact O-CG 3.4Å; Q424-E428 PolarHBondContact O-N 2.93Å; K425-E428 PolarHBondContact O-N 2.78Å; E428-L430 PolarHBondContact O-N 3.25Å; E428-W431 WeakPolarHBondContact O-CB 3.38Å; E428-W431 PolarHBondContact O-N 3.1Å; E428-H432 PolarHBondContact O-CD2 3.31Å; E428-H432 PolarHBondContact O-N 3.03Å |
| 429 | L | 93.2 | Very high | 85.4 | Confident | 36 Ų | 36 | 75.3 Ų | 75.3 | 19% | 0.188 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -64.3 | -38.5 | 176.3 | -69.9 | 171.7 | 0 | 0 | 0 | 112.6 | M393 L394 F397 K425 F426 E427 W431 H432 H433 | M393-L429 HydrophobicContact CB-CD1 4.05Å; L394-L429 HydrophobicContact CD2-CD1 4.27Å; L394-L429 HydrophobicContact CD2-CD2 3.61Å; F397-L429 HydrophobicContact CB-CD1 3.73Å; F397-L429 HydrophobicContact CD1-CB 4.3Å; F397-L429 HydrophobicContact CD2-CB 3.54Å; F397-L429 HydrophobicContact CD2-CD1 4.15Å; F397-L429 HydrophobicContact CD2-CG 4.48Å; F397-L429 HydrophobicContact CE1-CB 4.4Å; F397-L429 HydrophobicContact CE2-CB 3.65Å; F397-L429 HydrophobicContact CG-CB 3.89Å; F397-L429 HydrophobicContact CG-CD1 3.96Å; F397-L429 HydrophobicContact CG-CG 4.47Å; F397-L429 HydrophobicContact CZ-CB 4.1Å; F397-L429 WeakPolarHBondContact CZ-O 3.5Å; K425-L429 WeakPolarHBondContact O-CG 3.19Å; K425-L429 PolarHBondContact O-N 2.99Å; F426-L429 PolarHBondContact O-N 3.3Å; E427-L429 PolarHBondContact O-N 3.06Å; L429-W431 VanDerWaalsContact C-N 3.33Å; L429-H432 PolarHBondContact O-N 3.46Å; L429-H433 VanDerWaalsContact O-CB 3.31Å; L429-H433 WeakPolarHBondContact O-CB 3.17Å; L429-H433 PolarHBondContact O-N 3.47Å |
| 430 | L | 88.1 | Confident | 83.1 | Confident | 13 Ų | 13 | 81.9 Ų | 81.9 | 7% | 0.068 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -61.8 | -41.3 | 173.4 | -77.6 | 174.8 | 0 | 0 | 0 | 111.9 | F397 Y400 F426 E427 E428 H433 K434 | F397-L430 HydrophobicContact CE2-CD2 3.79Å; F397-L430 HydrophobicContact CE2-CG 3.96Å; F397-L430 HydrophobicContact CZ-CD2 4.31Å; Y400-L430 HydrophobicContact CD1-CD2 3.99Å; Y400-L430 HydrophobicContact CD2-CD2 4.36Å; Y400-L430 HydrophobicContact CE1-CD2 3.41Å; Y400-L430 VanDerWaalsContact CE1-CD2 3.41Å; Y400-L430 HydrophobicContact CE2-CD2 3.79Å; Y400-L430 HydrophobicContact CG-CD2 4.44Å; Y400-L430 WeakPolarHBondContact OH-CD2 3.44Å; F426-L430 HydrophobicContact CD1-CD1 3.72Å; F426-L430 HydrophobicContact CD1-CG 3.93Å; F426-L430 HydrophobicContact CE1-CD1 3.72Å; F426-L430 HydrophobicContact CE1-CD2 4.13Å; F426-L430 HydrophobicContact CE1-CG 3.84Å; F426-L430 WeakPolarHBondContact O-CG 3.49Å; F426-L430 PolarHBondContact O-N 3.41Å; E427-L430 WeakPolarHBondContact O-CB 2.91Å; E427-L430 PolarHBondContact O-N 2.89Å; E428-L430 PolarHBondContact O-N 3.25Å; L430-H433 PolarHBondContact O-N 3.4Å; L430-K434 VanDerWaalsContact O-CG 3.31Å; L430-K434 WeakPolarHBondContact O-CG 3.45Å; L430-K434 PolarHBondContact O-N 2.9Å |
| 431 | W | 88.1 | Confident | 80.5 | Confident | 152 Ų | 152 | 77.8 Ų | 77.8 | 58% | 0.576 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -62.9 | -50.4 | 177.6 | -175.7 | 88.9 | 0 | 0 | 0 | 111 | E427 E428 L429 H433 K434 E435 | E427-W431 PolarHBondContact O-N 2.84Å; E428-W431 WeakPolarHBondContact O-CB 3.38Å; E428-W431 PolarHBondContact O-N 3.1Å; L429-W431 VanDerWaalsContact C-N 3.33Å; W431-H433 VanDerWaalsContact C-N 3.32Å; W431-H433 PolarHBondContact O-N 2.92Å; W431-K434 PolarHBondContact O-N 2.91Å; W431-K434 VanDerWaalsContact O-N 3.16Å; W431-E435 HydrophobicContact CD2-CG 4.17Å; W431-E435 HydrophobicContact CE3-CG 4.32Å; W431-E435 HydrophobicContact CH2-CG 3.99Å; W431-E435 HydrophobicContact CZ2-CG 3.84Å; W431-E435 HydrophobicContact CZ3-CG 4.23Å; W431-E435 PolarHBondContact O-N 3.17Å |
| 432 | H | 88.4 | Confident | 77.5 | Confident | 113 Ų | 113 | 78.6 Ų | 78.6 | 52% | 0.523 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -59.6 | -40.7 | 176.6 | -74.3 | -62.6 | 0 | 0 | 0 | 112.9 | E428 L429 E435 A436 | E428-H432 PolarHBondContact O-CD2 3.31Å; E428-H432 PolarHBondContact O-N 3.03Å; L429-H432 PolarHBondContact O-N 3.46Å; H432-E435 PolarHBondContact O-N 3.13Å; H432-A436 WeakPolarHBondContact O-CB 3.44Å; H432-A436 PolarHBondContact O-N 2.9Å |
| 433 | H | 84.5 | Confident | 74.9 | Confident | 57 Ų | 57 | 82.1 Ų | 82.1 | 26% | 0.264 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -64.4 | -39.6 | 176.7 | 178.4 | 68.3 | 0 | 0 | 0 | 112.6 | F397 N401 L429 L430 W431 S437 | F397-H433 HydrophobicContact CE1-CB 4Å; F397-H433 HydrophobicContact CZ-CB 3.64Å; N401-H433 PolarHBondContact OD1-CE1 3.49Å; L429-H433 VanDerWaalsContact O-CB 3.31Å; L429-H433 WeakPolarHBondContact O-CB 3.17Å; L429-H433 PolarHBondContact O-N 3.47Å; L430-H433 PolarHBondContact O-N 3.4Å; W431-H433 VanDerWaalsContact C-N 3.32Å; W431-H433 PolarHBondContact O-N 2.92Å; H433-S437 PolarHBondContact O-N 3.12Å; H433-S437 VanDerWaalsContact O-N 3.16Å; H433-S437 PolarHBondContact O-OG 3.35Å; H433-S437 VanDerWaalsContact O-OG 3.09Å |
| 434 | K | 79.4 | Confident | 72.4 | Confident | 114 Ų | 114 | 84 Ų | 84 | 50% | 0.496 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -66.2 | -41.5 | 175.8 | -74 | 171.1 | -175.1 | 170.8 | 0 | 112.1 | L430 W431 S437 R438 | L430-K434 VanDerWaalsContact O-CG 3.31Å; L430-K434 WeakPolarHBondContact O-CG 3.45Å; L430-K434 PolarHBondContact O-N 2.9Å; W431-K434 PolarHBondContact O-N 2.91Å; W431-K434 VanDerWaalsContact O-N 3.16Å; K434-S437 PolarHBondContact O-N 3.2Å; K434-R438 WeakPolarHBondContact O-CG 3.4Å; K434-R438 PolarHBondContact O-N 3.38Å; K434-R438 VanDerWaalsContact O-N 3.11Å |
| 435 | E | 79.2 | Confident | 69.7 | Low | 64 Ų | 64 | 82.5 Ų | 82.5 | 30% | 0.299 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -65.3 | -40.6 | 177.1 | -73.4 | -61.8 | 120.6 | 0 | 0 | 112.2 | W431 H432 R438 T439 | W431-E435 HydrophobicContact CD2-CG 4.17Å; W431-E435 HydrophobicContact CE3-CG 4.32Å; W431-E435 HydrophobicContact CH2-CG 3.99Å; W431-E435 HydrophobicContact CZ2-CG 3.84Å; W431-E435 HydrophobicContact CZ3-CG 4.23Å; W431-E435 PolarHBondContact O-N 3.17Å; H432-E435 PolarHBondContact O-N 3.13Å; E435-R438 PolarHBondContact O-N 2.8Å; E435-R438 IonicContact OE1-CZ 2.66Å; E435-R438 IonicContact OE1-NH1 3.69Å; E435-R438 PolarHBondContact OE1-NH1 2.67Å; E435-T439 PolarHBondContact O-N 2.79Å; E435-T439 VanDerWaalsContact O-N 3.17Å; E435-T439 PolarHBondContact O-OG1 2.87Å |
| 436 | A | 76.4 | Confident | 66.8 | Low | 51 Ų | 51 | 83.7 Ų | 83.7 | 42% | 0.421 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -60.4 | -47.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112 | H432 R438 T439 E440 | H432-A436 WeakPolarHBondContact O-CB 3.44Å; H432-A436 PolarHBondContact O-N 2.9Å; A436-R438 VanDerWaalsContact C-N 3.31Å; A436-R438 PolarHBondContact O-N 3.23Å; A436-T439 PolarHBondContact O-N 2.98Å; A436-T439 VanDerWaalsContact O-N 3.14Å; A436-E440 PolarHBondContact O-N 3.49Å; A436-E440 VanDerWaalsContact O-N 3.11Å |
| 437 | S | 70 | Confident | 63.9 | Low | 59 Ų | 59 | 93.1 Ų | 93.1 | 41% | 0.413 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -65.4 | -30.2 | 178.8 | -60 | 0 | 0 | 0 | 0 | 113.6 | H433 K434 G441 | H433-S437 PolarHBondContact O-N 3.12Å; H433-S437 VanDerWaalsContact O-N 3.16Å; H433-S437 PolarHBondContact O-OG 3.35Å; H433-S437 VanDerWaalsContact O-OG 3.09Å; K434-S437 PolarHBondContact O-N 3.2Å; S437-G441 PolarHBondContact O-N 3.12Å |
| 438 | R | 65.3 | Low | 62.6 | Low | 167 Ų | 167 | 93.1 Ų | 93.1 | 63% | 0.63 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -67.3 | -39.5 | 172.9 | -75.7 | 170.2 | 174.9 | -178.1 | -6.7 | 111.7 | K434 E435 A436 G441 A442 | K434-R438 WeakPolarHBondContact O-CG 3.4Å; K434-R438 PolarHBondContact O-N 3.38Å; K434-R438 VanDerWaalsContact O-N 3.11Å; E435-R438 PolarHBondContact O-N 2.8Å; E435-R438 IonicContact OE1-CZ 2.66Å; E435-R438 IonicContact OE1-NH1 3.69Å; E435-R438 PolarHBondContact OE1-NH1 2.67Å; A436-R438 VanDerWaalsContact C-N 3.31Å; A436-R438 PolarHBondContact O-N 3.23Å; R438-G441 PolarHBondContact O-N 3.36Å; R438-A442 PolarHBondContact O-N 3.4Å |
| 439 | T | 48.6 | Very low | 61.1 | Low | 82 Ų | 82 | 93.2 Ų | 93.2 | 50% | 0.503 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -69.7 | -42.5 | -178.2 | -47.8 | 0 | 0 | 0 | 0 | 111.2 | E435 A436 G441 A442 I443 | E435-T439 PolarHBondContact O-N 2.79Å; E435-T439 VanDerWaalsContact O-N 3.17Å; E435-T439 PolarHBondContact O-OG1 2.87Å; A436-T439 PolarHBondContact O-N 2.98Å; A436-T439 VanDerWaalsContact O-N 3.14Å; T439-G441 PolarHBondContact O-N 2.93Å; T439-A442 PolarHBondContact O-N 3.41Å; T439-I443 HydrophobicContact CG2-CD1 4.3Å; T439-I443 VanDerWaalsContact O-CG1 3.32Å; T439-I443 WeakPolarHBondContact O-CG1 3.32Å; T439-I443 PolarHBondContact O-N 3.27Å; T439-I443 VanDerWaalsContact O-N 3.14Å |
| 440 | E | 46.7 | Very low | 59.3 | Low | 145 Ų | 145 | 96.3 Ų | 96.3 | 68% | 0.678 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -64.5 | -37.6 | 173.6 | -70.9 | -177.7 | 173.6 | 0 | 0 | 112.7 | A436 I443 S444 | A436-E440 PolarHBondContact O-N 3.49Å; A436-E440 VanDerWaalsContact O-N 3.11Å; E440-I443 PolarHBondContact O-N 2.73Å; E440-S444 PolarHBondContact O-N 2.93Å; E440-S444 VanDerWaalsContact O-N 3.1Å; E440-S444 PolarHBondContact O-OG 3.42Å |
| 441 | G | 40.9 | Very low | 57.6 | Low | 32 Ų | 32 | 101.2 Ų | 101.2 | 33% | 0.33 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -63.4 | -38.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | S437 R438 T439 S444 T445 | S437-G441 PolarHBondContact O-N 3.12Å; R438-G441 PolarHBondContact O-N 3.36Å; T439-G441 PolarHBondContact O-N 2.93Å; G441-S444 PolarHBondContact O-N 2.75Å; G441-S444 PolarHBondContact O-OG 3.5Å; G441-T445 PolarHBondContact O-N 3Å; G441-T445 PolarHBondContact O-OG1 3.41Å |
| 442 | A | 31.7 | Very low | 55.7 | Low | 50 Ų | 50 | 98.1 Ų | 98.1 | 41% | 0.413 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -73.1 | -31.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | R438 T439 T445 | R438-A442 PolarHBondContact O-N 3.4Å; T439-A442 PolarHBondContact O-N 3.41Å; A442-T445 PolarHBondContact O-OG1 3.11Å |
| 443 | I | 38.1 | Very low | 53.5 | Low | 106 Ų | 106 | 97.1 Ų | 97.1 | 54% | 0.544 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -72.3 | -34.3 | 175.2 | -64.9 | 164.9 | 0 | 0 | 0 | 110.8 | T439 E440 | T439-I443 HydrophobicContact CG2-CD1 4.3Å; T439-I443 VanDerWaalsContact O-CG1 3.32Å; T439-I443 WeakPolarHBondContact O-CG1 3.32Å; T439-I443 PolarHBondContact O-N 3.27Å; T439-I443 VanDerWaalsContact O-N 3.14Å; E440-I443 PolarHBondContact O-N 2.73Å |
| 444 | S | 38.9 | Very low | 51.3 | Low | 86 Ų | 86 | 99.9 Ų | 99.9 | 60% | 0.601 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -78 | -15.4 | 179.2 | 57.7 | 0 | 0 | 0 | 0 | 115 | E440 G441 | E440-S444 PolarHBondContact O-N 2.93Å; E440-S444 VanDerWaalsContact O-N 3.1Å; E440-S444 PolarHBondContact O-OG 3.42Å; G441-S444 PolarHBondContact O-N 2.75Å; G441-S444 PolarHBondContact O-OG 3.5Å |
| 445 | T | 37.5 | Very low | 49.1 | Very low | 105 Ų | 105 | 98.8 Ų | 98.8 | 64% | 0.644 | 56% | 0.56 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.4 | -7.7 | 173.6 | 54.7 | 0 | 0 | 0 | 0 | 114.4 | G441 A442 | G441-T445 PolarHBondContact O-N 3Å; G441-T445 PolarHBondContact O-OG1 3.41Å; A442-T445 PolarHBondContact O-OG1 3.11Å |
| 446 | N | 32 | Very low | 46.6 | Very low | 140 Ų | 140 | 101.8 Ų | 101.8 | 75% | 0.749 | 58% | 0.582 | S | S | * | * | trans | -105.6 | 12.9 | -179.5 | -84.6 | -13.2 | 0 | 0 | 0 | 113.7 | ||||
| 447 | N | 33.1 | Very low | 43.9 | Very low | 198 Ų | 198 | 106.4 Ų | 106.4 | 100% | 1.059 | 60% | 0.597 | S | S | * | * | trans | -122.7 | 0 | 166 | -73.6 | -26.2 | 0 | 0 | 0 | 108.9 |
Retrieved 447 of 447 residues in 1673.6 ms
(Link to these results)