| 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 | 45 | Very low | 69.9 | Low | 231 Ų | 231 | 90.3 Ų | 90.3 | 100% | 1.138 | 46% | 0.461 | S | S | * | . | 0 | 114.4 | 0 | -86.1 | 172.3 | 141.6 | 0 | 0 | 108.9 | R3 | M1-R3 PolarHBondContact O-N 3.42Š| |||
| 2 | S | 43.2 | Very low | 70.8 | Confident | 85 Ų | 85 | 92.6 Ų | 92.6 | 59% | 0.594 | 46% | 0.46 | S | S | * | . | trans | -63.4 | 123.3 | 172.2 | -178.5 | 0 | 0 | 0 | 0 | 109.1 | H4 | S2-H4 PolarHBondContact O-N 3.33Å; S2-H4 PolarHBondContact OG-CD2 3Å; S2-H4 VanDerWaalsContact OG-CD2 3.31Å; S2-H4 PolarHBondContact OG-CE1 3.25Å; S2-H4 PolarHBondContact OG-NE2 3.49Å | ||
| 3 | R | 58.1 | Low | 71.4 | Confident | 235 Ų | 235 | 86.2 Ų | 86.2 | 89% | 0.887 | 43% | 0.429 | S | S | * | . | trans | -79 | 67.1 | -178.4 | -63.1 | -174.2 | -151.4 | -166.8 | 5.2 | 110.2 | M1 T5 | M1-R3 PolarHBondContact O-N 3.42Å; R3-T5 PolarHBondContact O-N 3.16Å | ||
| 4 | H | 71.7 | Confident | 72 | Confident | 58 Ų | 58 | 86.7 Ų | 86.7 | 27% | 0.269 | 44% | 0.439 | S | S | . | . | trans | -74.4 | 124.9 | 172.1 | -65.2 | -57.8 | 0 | 0 | 0 | 110.2 | S2 D8 F237 | S2-H4 PolarHBondContact O-N 3.33Å; S2-H4 PolarHBondContact OG-CD2 3Å; S2-H4 VanDerWaalsContact OG-CD2 3.31Å; S2-H4 PolarHBondContact OG-CE1 3.25Å; S2-H4 PolarHBondContact OG-NE2 3.49Å; H4-D8 WeakPolarHBondContact CA-OD2 3.25Å; H4-D8 HydrophobicContact CB-CB 4.44Å; H4-F237 HydrophobicContact CB-CB 4.37Å; H4-F237 HydrophobicContact CB-CD2 3.33Å; H4-F237 HydrophobicContact CB-CE2 3.64Å; H4-F237 HydrophobicContact CB-CG 3.9Å; H4-F237 HydrophobicContact CB-CZ 4.46Å | ||
| 5 | T | 78.1 | Confident | 72.4 | Confident | 57 Ų | 57 | 83.8 Ų | 83.8 | 35% | 0.35 | 43% | 0.433 | S | S | . | . | trans | -91.9 | 167.1 | -178.7 | 61.8 | 0 | 0 | 0 | 0 | 111.3 | R3 L7 D8 I9 | R3-T5 PolarHBondContact O-N 3.16Å; T5-L7 PolarHBondContact O-N 3.1Å; T5-L7 PolarHBondContact OG1-N 3.11Å; T5-D8 PolarHBondContact N-OD2 2.73Å; T5-D8 WeakPolarHBondContact O-CB 3.18Å; T5-D8 PolarHBondContact O-N 3.41Å; T5-D8 PolarHBondContact OG1-N 2.88Å; T5-D8 PolarHBondContact OG1-OD2 2.97Å; T5-I9 PolarHBondContact O-N 2.95Å | ||
| 6 | D | 76.9 | Confident | 72.9 | Confident | 4 Ų | 4 | 81.4 Ų | 81.4 | 2% | 0.021 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -59.9 | -28.3 | 169.8 | 173.7 | 60.4 | 0 | 0 | 0 | 111.8 | D8 I9 K10 R244 E254 Y257 | D6-D8 VanDerWaalsContact C-N 3.34Å; D6-D8 PolarHBondContact O-N 3.32Å; D6-I9 PolarHBondContact O-N 2.85Å; D6-K10 WeakPolarHBondContact O-CB 3.45Å; D6-K10 WeakPolarHBondContact O-CG 3.26Å; D6-K10 PolarHBondContact O-N 3.41Å; D6-K10 WeakPolarHBondContact OD2-CD 3.27Å; D6-K10 WeakPolarHBondContact OD2-CE 3.41Å; D6-K10 IonicContact OD2-NZ 2.76Å; D6-K10 PolarHBondContact OD2-NZ 2.97Å; D6-R244 IonicContact OD1-NH2 3.79Å; D6-R244 PolarHBondContact OD1-NH2 2.88Å; D6-E254 HydrophobicContact CB-CB 3.87Å; D6-E254 HydrophobicContact CB-CG 4.07Å; D6-E254 PolarHBondContact OD2-N 3.29Å; D6-Y257 HydrophobicContact CB-CD1 4.27Å |
| 7 | L | 77.1 | Confident | 73 | Confident | 125 Ų | 125 | 81.6 Ų | 81.6 | 65% | 0.654 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -62.3 | -41.2 | 172.6 | -67.2 | 170.8 | 0 | 0 | 0 | 111.5 | T5 I9 K10 A11 | T5-L7 PolarHBondContact O-N 3.1Å; T5-L7 PolarHBondContact OG1-N 3.11Å; L7-I9 VanDerWaalsContact C-N 3.34Å; L7-I9 PolarHBondContact O-N 3.36Å; L7-K10 PolarHBondContact O-N 3.2Å; L7-A11 WeakPolarHBondContact O-CB 3.49Å; L7-A11 PolarHBondContact O-N 3.38Å |
| 8 | D | 79.6 | Confident | 72.9 | Confident | 60 Ų | 60 | 82.4 Ų | 82.4 | 32% | 0.321 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -64.7 | -39.5 | 175.8 | -61.3 | -51.4 | 0 | 0 | 0 | 111.6 | H4 T5 D6 A11 R12 F237 | H4-D8 WeakPolarHBondContact CA-OD2 3.25Å; H4-D8 HydrophobicContact CB-CB 4.44Å; T5-D8 PolarHBondContact N-OD2 2.73Å; T5-D8 WeakPolarHBondContact O-CB 3.18Å; T5-D8 PolarHBondContact O-N 3.41Å; T5-D8 PolarHBondContact OG1-N 2.88Å; T5-D8 PolarHBondContact OG1-OD2 2.97Å; D6-D8 VanDerWaalsContact C-N 3.34Å; D6-D8 PolarHBondContact O-N 3.32Å; D8-A11 PolarHBondContact O-N 3.33Å; D8-R12 WeakPolarHBondContact O-CG 3.42Å; D8-R12 PolarHBondContact O-N 3.49Å; D8-F237 HydrophobicContact CB-CE2 3.84Å; D8-F237 HydrophobicContact CB-CZ 4.34Å |
| 9 | I | 78.3 | Confident | 73 | Confident | 0 Ų | 0 | 85.6 Ų | 85.6 | 0% | 0 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -62.6 | -47.8 | 175.9 | -65.4 | 177.9 | 0 | 0 | 0 | 109.8 | T5 D6 L7 R12 S13 F237 V240 Y257 | T5-I9 PolarHBondContact O-N 2.95Å; D6-I9 PolarHBondContact O-N 2.85Å; L7-I9 VanDerWaalsContact C-N 3.34Å; L7-I9 PolarHBondContact O-N 3.36Å; I9-R12 PolarHBondContact O-N 2.84Å; I9-S13 VanDerWaalsContact O-CB 3.28Å; I9-S13 WeakPolarHBondContact O-CB 3.41Å; I9-S13 PolarHBondContact O-N 3.07Å; I9-S13 PolarHBondContact O-OG 2.82Å; I9-F237 HydrophobicContact CB-CE2 4.13Å; I9-F237 HydrophobicContact CD1-CD2 3.81Å; I9-F237 HydrophobicContact CD1-CE2 4.24Å; I9-F237 HydrophobicContact CG1-CD2 3.23Å; I9-F237 HydrophobicContact CG1-CE2 3.17Å; I9-F237 HydrophobicContact CG1-CG 4.25Å; I9-F237 HydrophobicContact CG1-CZ 4.12Å; I9-V240 HydrophobicContact CD1-CB 4.19Å; I9-V240 HydrophobicContact CD1-CG1 3.99Å; I9-V240 HydrophobicContact CG2-CG1 4.15Å; I9-Y257 HydrophobicContact CD1-CD1 4.13Å; I9-Y257 HydrophobicContact CD1-CD2 3.9Å; I9-Y257 HydrophobicContact CD1-CE1 3.66Å; I9-Y257 HydrophobicContact CD1-CE2 3.46Å; I9-Y257 VanDerWaalsContact CD1-CE2 3.46Å; I9-Y257 HydrophobicContact CD1-CG 4.24Å |
| 10 | K | 80.4 | Confident | 72.5 | Confident | 78 Ų | 78 | 84.6 Ų | 84.6 | 34% | 0.339 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -60.7 | -48 | 178.3 | -77.6 | 170.1 | 173.2 | 161.9 | 0 | 111.2 | D6 L7 R12 S13 V14 R244 Q252 | D6-K10 WeakPolarHBondContact O-CB 3.45Å; D6-K10 WeakPolarHBondContact O-CG 3.26Å; D6-K10 PolarHBondContact O-N 3.41Å; D6-K10 WeakPolarHBondContact OD2-CD 3.27Å; D6-K10 WeakPolarHBondContact OD2-CE 3.41Å; D6-K10 IonicContact OD2-NZ 2.76Å; D6-K10 PolarHBondContact OD2-NZ 2.97Å; L7-K10 PolarHBondContact O-N 3.2Å; K10-R12 PolarHBondContact O-N 3.48Å; K10-S13 PolarHBondContact O-N 2.87Å; K10-V14 VanDerWaalsContact O-CG2 3.31Å; K10-V14 WeakPolarHBondContact O-CG2 3.24Å; K10-V14 PolarHBondContact O-N 3.34Å; K10-R244 VanDerWaalsContact CG-NH1 3.33Å; K10-Q252 WeakPolarHBondContact CE-O 3.39Å; K10-Q252 PolarHBondContact NZ-O 3.26Å |
| 11 | A | 80.3 | Confident | 72.4 | Confident | 60 Ų | 60 | 83.9 Ų | 83.9 | 50% | 0.496 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -58.6 | -48.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | L7 D8 S13 V14 A15 | L7-A11 WeakPolarHBondContact O-CB 3.49Å; L7-A11 PolarHBondContact O-N 3.38Å; D8-A11 PolarHBondContact O-N 3.33Å; A11-S13 PolarHBondContact O-N 3.02Å; A11-V14 PolarHBondContact O-N 3.4Å; A11-A15 PolarHBondContact O-N 2.78Å |
| 12 | R | 81.4 | Confident | 74.1 | Confident | 118 Ų | 118 | 74 Ų | 74 | 45% | 0.445 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -66.4 | -37.7 | 177.1 | -70 | -163.6 | -174.7 | -163.9 | -5.3 | 113.3 | D8 I9 K10 V14 A15 W16 F237 L241 | D8-R12 WeakPolarHBondContact O-CG 3.42Å; D8-R12 PolarHBondContact O-N 3.49Å; I9-R12 PolarHBondContact O-N 2.84Å; K10-R12 PolarHBondContact O-N 3.48Å; R12-V14 VanDerWaalsContact C-N 3.29Å; R12-V14 PolarHBondContact O-N 2.78Å; R12-A15 PolarHBondContact O-N 3.19Å; R12-W16 WeakPolarHBondContact O-CB 3.46Å; R12-W16 PolarHBondContact O-N 3.37Å; R12-F237 HydrophobicContact CG-CZ 4.48Å; R12-L241 HydrophobicContact CB-CD1 3.89Å; R12-L241 HydrophobicContact CB-CD2 4.35Å |
| 13 | S | 77.9 | Confident | 76.4 | Confident | 9 Ų | 9 | 71.6 Ų | 71.6 | 6% | 0.063 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -63 | -38.4 | 175.7 | -58.7 | 0 | 0 | 0 | 0 | 111.3 | I9 K10 A11 K17 R244 | I9-S13 VanDerWaalsContact O-CB 3.28Å; I9-S13 WeakPolarHBondContact O-CB 3.41Å; I9-S13 PolarHBondContact O-N 3.07Å; I9-S13 PolarHBondContact O-OG 2.82Å; K10-S13 PolarHBondContact O-N 2.87Å; A11-S13 PolarHBondContact O-N 3.02Å; S13-K17 VanDerWaalsContact O-CG 3.29Å; S13-K17 WeakPolarHBondContact O-CG 3.47Å; S13-K17 PolarHBondContact O-N 2.89Å; S13-R244 WeakPolarHBondContact OG-CD 3.31Å |
| 14 | V | 80.1 | Confident | 78.2 | Confident | 94 Ų | 94 | 62.8 Ų | 62.8 | 57% | 0.57 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -69.9 | -46.1 | 176.6 | 170.6 | 0 | 0 | 0 | 0 | 110.7 | K10 A11 R12 W16 K17 S18 | K10-V14 VanDerWaalsContact O-CG2 3.31Å; K10-V14 WeakPolarHBondContact O-CG2 3.24Å; K10-V14 PolarHBondContact O-N 3.34Å; A11-V14 PolarHBondContact O-N 3.4Å; R12-V14 VanDerWaalsContact C-N 3.29Å; R12-V14 PolarHBondContact O-N 2.78Å; V14-W16 VanDerWaalsContact C-N 3.32Å; V14-W16 PolarHBondContact O-N 3.09Å; V14-K17 WeakPolarHBondContact O-CB 3.31Å; V14-K17 PolarHBondContact O-N 2.84Å; V14-K17 VanDerWaalsContact O-N 3.12Å; V14-S18 PolarHBondContact O-N 2.98Å; V14-S18 PolarHBondContact O-OG 3.02Å |
| 15 | A | 77.3 | Confident | 79.4 | Confident | 43 Ų | 43 | 67.4 Ų | 67.4 | 36% | 0.355 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -55.2 | -48.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | A11 R12 K17 S18 E19 | A11-A15 PolarHBondContact O-N 2.78Å; R12-A15 PolarHBondContact O-N 3.19Å; A15-K17 VanDerWaalsContact C-N 3.32Å; A15-K17 PolarHBondContact O-N 2.9Å; A15-S18 WeakPolarHBondContact CA-OG 3.49Å; A15-S18 PolarHBondContact O-N 3.2Å; A15-S18 VanDerWaalsContact O-N 3.1Å; A15-S18 PolarHBondContact O-OG 2.81Å; A15-E19 WeakPolarHBondContact O-CG 3.49Å; A15-E19 PolarHBondContact O-N 3.31Å; A15-E19 VanDerWaalsContact O-N 3.12Å |
| 16 | W | 80.3 | Confident | 80.3 | Confident | 45 Ų | 45 | 64.9 Ų | 64.9 | 17% | 0.17 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -59.2 | -38.7 | 176.9 | 178.4 | 75 | 0 | 0 | 0 | 113.2 | R12 V14 V21 C22 Y44 K245 | R12-W16 WeakPolarHBondContact O-CB 3.46Å; R12-W16 PolarHBondContact O-N 3.37Å; V14-W16 VanDerWaalsContact C-N 3.32Å; V14-W16 PolarHBondContact O-N 3.09Å; W16-V21 HydrophobicContact CZ2-CB 4.23Å; W16-V21 HydrophobicContact CZ2-CG1 3.77Å; W16-C22 HydrophobicContact CE3-CB 4.2Å; W16-C22 HydrophobicContact CH2-CB 3.47Å; W16-C22 VanDerWaalsContact CH2-CB 3.47Å; W16-C22 HydrophobicContact CZ2-CB 4.27Å; W16-C22 HydrophobicContact CZ3-CB 3.42Å; W16-C22 VanDerWaalsContact CZ3-CB 3.42Å; W16-Y44 HydrophobicContact CZ3-CE2 4.37Å; W16-K245 HydrophobicContact CD2-CB 4.42Å; W16-K245 HydrophobicContact CD2-CD 4.32Å; W16-K245 HydrophobicContact CD2-CG 3.79Å; W16-K245 HydrophobicContact CE3-CB 4.44Å; W16-K245 HydrophobicContact CE3-CG 4.09Å; W16-K245 HydrophobicContact CG-CD 4.49Å; W16-K245 HydrophobicContact CG-CG 4.28Å; W16-K245 HydrophobicContact CH2-CB 3.83Å; W16-K245 HydrophobicContact CH2-CG 4.27Å; W16-K245 WeakPolarHBondContact CH2-O 3.17Å; W16-K245 HydrophobicContact CZ2-CB 3.8Å; W16-K245 HydrophobicContact CZ2-CD 4.34Å; W16-K245 HydrophobicContact CZ2-CG 3.99Å; W16-K245 HydrophobicContact CZ3-CB 4.16Å; W16-K245 HydrophobicContact CZ3-CG 4.32Å |
| 17 | K | 75.3 | Confident | 81.2 | Confident | 85 Ų | 85 | 64.7 Ų | 64.7 | 37% | 0.37 | 36% | 0.364 | S | S | . | . | I | π-helix | trans | -67.1 | -42 | 174.1 | -70.6 | 172.9 | -166.5 | -165.7 | 0 | 112.2 | S13 V14 A15 E19 G20 Y44 | S13-K17 VanDerWaalsContact O-CG 3.29Å; S13-K17 WeakPolarHBondContact O-CG 3.47Å; S13-K17 PolarHBondContact O-N 2.89Å; V14-K17 WeakPolarHBondContact O-CB 3.31Å; V14-K17 PolarHBondContact O-N 2.84Å; V14-K17 VanDerWaalsContact O-N 3.12Å; A15-K17 VanDerWaalsContact C-N 3.32Å; A15-K17 PolarHBondContact O-N 2.9Å; K17-E19 PolarHBondContact O-N 2.7Å; K17-G20 PolarHBondContact O-N 2.94Å; K17-Y44 WeakPolarHBondContact CE-OH 3.33Å; K17-Y44 PolarHBondContact NZ-OH 3.34Å |
| 18 | S | 71 | Confident | 82.1 | Confident | 97 Ų | 97 | 62 Ų | 62 | 68% | 0.678 | 36% | 0.355 | S | S | * | . | I | π-helix | trans | -68.6 | -20.7 | -177.7 | 55.4 | 0 | 0 | 0 | 0 | 113.6 | V14 A15 G20 | V14-S18 PolarHBondContact O-N 2.98Å; V14-S18 PolarHBondContact O-OG 3.02Å; A15-S18 WeakPolarHBondContact CA-OG 3.49Å; A15-S18 PolarHBondContact O-N 3.2Å; A15-S18 VanDerWaalsContact O-N 3.1Å; A15-S18 PolarHBondContact O-OG 2.81Å; S18-G20 PolarHBondContact O-N 2.8Å |
| 19 | E | 75.9 | Confident | 83 | Confident | 142 Ų | 142 | 66.4 Ų | 66.4 | 66% | 0.664 | 37% | 0.368 | S | S | * | . | I | π-helix | trans | -72.2 | 3.3 | 172.6 | -71.3 | 169.9 | -172.9 | 0 | 0 | 113.4 | A15 K17 V21 | A15-E19 WeakPolarHBondContact O-CG 3.49Å; A15-E19 PolarHBondContact O-N 3.31Å; A15-E19 VanDerWaalsContact O-N 3.12Å; K17-E19 PolarHBondContact O-N 2.7Å; E19-V21 VanDerWaalsContact C-N 3.26Å; E19-V21 HydrophobicContact CB-CG2 4.04Å; E19-V21 PolarHBondContact O-N 3.38Å |
| 20 | G | 61.6 | Low | 83.6 | Confident | 66 Ų | 66 | 74.1 Ų | 74.1 | 68% | 0.68 | 41% | 0.408 | S | S | * | . | I | π-helix | trans | 76.7 | 10.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | K17 S18 C22 | K17-G20 PolarHBondContact O-N 2.94Å; S18-G20 PolarHBondContact O-N 2.8Å; G20-C22 PolarHBondContact O-N 2.77Å |
| 21 | V | 70.7 | Confident | 84.3 | Confident | 70 Ų | 70 | 73.1 Ų | 73.1 | 42% | 0.424 | 42% | 0.42 | S | S | . | . | I | π-helix | trans | -76.8 | -12.4 | -176.9 | -172.7 | 0 | 0 | 0 | 0 | 112.3 | W16 E19 | W16-V21 HydrophobicContact CZ2-CB 4.23Å; W16-V21 HydrophobicContact CZ2-CG1 3.77Å; E19-V21 VanDerWaalsContact C-N 3.26Å; E19-V21 HydrophobicContact CB-CG2 4.04Å; E19-V21 PolarHBondContact O-N 3.38Å |
| 22 | C | 80.3 | Confident | 85.1 | Confident | 23 Ų | 23 | 71.1 Ų | 71.1 | 16% | 0.155 | 40% | 0.401 | C | S | . | . | trans | -137.2 | 122.1 | -170.3 | -168 | 0 | 0 | 0 | 0 | 112.7 | W16 G20 Y44 | W16-C22 HydrophobicContact CE3-CB 4.2Å; W16-C22 HydrophobicContact CH2-CB 3.47Å; W16-C22 VanDerWaalsContact CH2-CB 3.47Å; W16-C22 HydrophobicContact CZ2-CB 4.27Å; W16-C22 HydrophobicContact CZ3-CB 3.42Å; W16-C22 VanDerWaalsContact CZ3-CB 3.42Å; G20-C22 PolarHBondContact O-N 2.77Å; C22-Y44 WeakPolarHBondContact SG-CD1 3.38Å; C22-Y44 VanDerWaalsContact SG-CD2 3.59Å; C22-Y44 WeakPolarHBondContact SG-CE1 3.43Å | ||
| 23 | S | 92.6 | Very high | 85.9 | Confident | 35 Ų | 35 | 68.7 Ų | 68.7 | 25% | 0.245 | 40% | 0.399 | C | S | . | . | trans | -121.7 | 157.5 | -177.7 | 61.3 | 0 | 0 | 0 | 0 | 112.5 | Y44 D45 E46 | S23-Y44 CarbonylContact O-C 3.55Å; S23-Y44 WeakPolarHBondContact O-CA 3.13Å; S23-D45 PolarHBondContact O-N 3.05Å; S23-D45 PolarHBondContact OG-OD2 3.3Å; S23-E46 PolarHBondContact N-OE1 2.98Å; S23-E46 PolarHBondContact N-OE2 3.14Å; S23-E46 PolarHBondContact OG-OE1 3.18Å | ||
| 24 | T | 95.3 | Very high | 86.8 | Confident | 50 Ų | 50 | 72.9 Ų | 72.9 | 31% | 0.307 | 42% | 0.421 | S | S | . | . | trans | -128.4 | 25.5 | 179.7 | 61.4 | 0 | 0 | 0 | 0 | 111.9 | A26 G27 S28 V42 Y44 | T24-A26 VanDerWaalsContact C-N 3.32Å; T24-A26 PolarHBondContact O-N 2.61Å; T24-G27 PolarHBondContact O-N 3.27Å; T24-S28 WeakPolarHBondContact O-CB 3.31Å; T24-S28 PolarHBondContact O-N 3.2Å; T24-S28 PolarHBondContact O-OG 3.11Å; T24-S28 VanDerWaalsContact O-OG 3.05Å; T24-V42 HydrophobicContact CG2-CB 4.11Å; T24-V42 HydrophobicContact CG2-CG1 4.28Å; T24-Y44 HydrophobicContact CG2-CD1 3.97Å; T24-Y44 HydrophobicContact CG2-CE1 4.4Å | ||
| 25 | K | 96.3 | Very high | 87.7 | Confident | 154 Ų | 154 | 70 Ų | 70 | 67% | 0.67 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -58.4 | -42.6 | -171.5 | -63.2 | 175.1 | -178.4 | 172.8 | 0 | 111.2 | S28 R29 D45 | K25-S28 PolarHBondContact O-N 3.34Å; K25-R29 WeakPolarHBondContact O-CG 3.29Å; K25-R29 PolarHBondContact O-N 2.98Å; K25-D45 WeakPolarHBondContact CA-OD2 3.18Å; K25-D45 VanDerWaalsContact CB-OD2 3.25Å; K25-D45 WeakPolarHBondContact CB-OD2 3.45Å; K25-D45 PolarHBondContact N-OD1 3.24Å; K25-D45 PolarHBondContact N-OD2 3.1Å |
| 26 | A | 97.1 | Very high | 88.7 | Confident | 5 Ų | 5 | 68.7 Ų | 68.7 | 4% | 0.041 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -62.6 | -45.9 | -177.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | T24 S28 R29 N32 D45 Y62 | T24-A26 VanDerWaalsContact C-N 3.32Å; T24-A26 PolarHBondContact O-N 2.61Å; A26-S28 VanDerWaalsContact C-N 3.32Å; A26-S28 PolarHBondContact O-N 3.38Å; A26-R29 WeakPolarHBondContact O-CB 3.43Å; A26-R29 PolarHBondContact O-N 2.88Å; A26-N32 PolarHBondContact O-ND2 3.42Å; A26-D45 WeakPolarHBondContact CB-OD1 3.3Å; A26-D45 PolarHBondContact N-OD1 2.8Å; A26-Y62 HydrophobicContact CB-CD2 4.34Å |
| 27 | G | 96.8 | Very high | 89.6 | Confident | 0 Ų | 0 | 68.6 Ų | 68.6 | 0% | 0 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -74.4 | -20.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | T24 N36 Y62 | T24-G27 PolarHBondContact O-N 3.27Å; G27-N36 PolarHBondContact O-ND2 2.84Å; G27-Y62 VanDerWaalsContact CA-OH 3.31Å; G27-Y62 WeakPolarHBondContact CA-OH 3.21Å |
| 28 | S | 96.4 | Very high | 90.6 | Very high | 67 Ų | 67 | 67.7 Ų | 67.7 | 47% | 0.469 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -87 | -4.6 | 174.5 | -60.3 | 0 | 0 | 0 | 0 | 114 | T24 K25 A26 | T24-S28 WeakPolarHBondContact O-CB 3.31Å; T24-S28 PolarHBondContact O-N 3.2Å; T24-S28 PolarHBondContact O-OG 3.11Å; T24-S28 VanDerWaalsContact O-OG 3.05Å; K25-S28 PolarHBondContact O-N 3.34Å; A26-S28 VanDerWaalsContact C-N 3.32Å; A26-S28 PolarHBondContact O-N 3.38Å |
| 29 | R | 96.7 | Very high | 91.8 | Very high | 153 Ų | 153 | 72.7 Ų | 72.7 | 58% | 0.577 | 39% | 0.392 | S | S | * | . | S | Bend | trans | -60.8 | 141.1 | 173.6 | -69.5 | 179.2 | -177.1 | 177.3 | -0.6 | 110.4 | K25 A26 G31 N32 T33 | K25-R29 WeakPolarHBondContact O-CG 3.29Å; K25-R29 PolarHBondContact O-N 2.98Å; A26-R29 WeakPolarHBondContact O-CB 3.43Å; A26-R29 PolarHBondContact O-N 2.88Å; R29-G31 PolarHBondContact O-N 2.86Å; R29-G31 VanDerWaalsContact O-N 3.1Å; R29-N32 HydrophobicContact CB-CB 4.47Å; R29-N32 WeakPolarHBondContact O-CA 3.38Å; R29-N32 PolarHBondContact O-N 3.18Å; R29-T33 WeakPolarHBondContact O-CG2 3.44Å; R29-T33 PolarHBondContact O-N 3.46Å |
| 30 | L | 92.8 | Very high | 92.6 | Very high | 162 Ų | 162 | 72.4 Ų | 72.4 | 85% | 0.848 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -48 | -45.6 | -176.5 | -171.2 | 66.5 | 0 | 0 | 0 | 112.7 | N32 T33 | L30-N32 VanDerWaalsContact C-N 3.28Å; L30-N32 PolarHBondContact O-N 3.3Å; L30-T33 PolarHBondContact O-OG1 3.36Å |
| 31 | G | 93.7 | Very high | 94.3 | Very high | 57 Ų | 57 | 69.8 Ų | 69.8 | 59% | 0.588 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -71.4 | -9.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 116.7 | R29 N34 | R29-G31 PolarHBondContact O-N 2.86Å; R29-G31 VanDerWaalsContact O-N 3.1Å; G31-N34 PolarHBondContact O-OD1 3.39Å |
| 32 | N | 97.9 | Very high | 95.6 | Very high | 18 Ų | 18 | 67.3 Ų | 67.3 | 10% | 0.096 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -111.9 | -19.8 | -178.9 | -71.4 | -21.8 | 0 | 0 | 0 | 113.3 | A26 R29 L30 N34 K35 Y62 | A26-N32 PolarHBondContact O-ND2 3.42Å; R29-N32 HydrophobicContact CB-CB 4.47Å; R29-N32 WeakPolarHBondContact O-CA 3.38Å; R29-N32 PolarHBondContact O-N 3.18Å; L30-N32 VanDerWaalsContact C-N 3.28Å; L30-N32 PolarHBondContact O-N 3.3Å; N32-N34 PolarHBondContact O-N 3.02Å; N32-K35 WeakPolarHBondContact O-CA 3.14Å; N32-K35 VanDerWaalsContact O-CB 3.31Å; N32-K35 WeakPolarHBondContact O-CB 3.35Å; N32-K35 PolarHBondContact O-N 2.94Å; N32-Y62 HydrophobicContact CB-CD1 3.59Å; N32-Y62 HydrophobicContact CB-CE1 3.95Å; N32-Y62 HydrophobicContact CB-CG 3.94Å; N32-Y62 VanDerWaalsContact CG-CB 3.46Å; N32-Y62 VanDerWaalsContact CG-CG 3.5Å; N32-Y62 VanDerWaalsContact ND2-CB 3.31Å; N32-Y62 WeakPolarHBondContact ND2-CB 3.35Å; N32-Y62 WeakPolarHBondContact OD1-CB 3.03Å |
| 33 | T | 97.3 | Very high | 96.4 | Very high | 68 Ų | 68 | 66.2 Ų | 66.2 | 42% | 0.417 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -55.1 | -37.7 | -177.9 | 54.8 | 0 | 0 | 0 | 0 | 113.5 | R29 L30 K35 N36 | R29-T33 WeakPolarHBondContact O-CG2 3.44Å; R29-T33 PolarHBondContact O-N 3.46Å; L30-T33 PolarHBondContact O-OG1 3.36Å; T33-K35 PolarHBondContact O-N 2.75Å; T33-N36 PolarHBondContact O-N 3.39Å |
| 34 | N | 97.7 | Very high | 96.7 | Very high | 97 Ų | 97 | 65 Ų | 65 | 52% | 0.519 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.5 | -16.6 | 176.7 | 65.9 | -17.2 | 0 | 0 | 0 | 113.4 | G31 N32 N36 H86 | G31-N34 PolarHBondContact O-OD1 3.39Å; N32-N34 PolarHBondContact O-N 3.02Å; N34-N36 VanDerWaalsContact C-N 3.31Å; N34-H86 PolarHBondContact O-CE1 2.88Å; N34-H86 PolarHBondContact O-NE2 2.88Å |
| 35 | K | 98.6 | Very high | 96.8 | Very high | 32 Ų | 32 | 64.3 Ų | 64.3 | 14% | 0.139 | 33% | 0.328 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.7 | -8 | 176.1 | -58.6 | -173.6 | 172.4 | -154.4 | 0 | 112.8 | N32 T33 Y62 Q81 T87 D90 | N32-K35 WeakPolarHBondContact O-CA 3.14Å; N32-K35 VanDerWaalsContact O-CB 3.31Å; N32-K35 WeakPolarHBondContact O-CB 3.35Å; N32-K35 PolarHBondContact O-N 2.94Å; T33-K35 PolarHBondContact O-N 2.75Å; K35-Y62 HydrophobicContact CB-CD1 4.13Å; K35-Y62 HydrophobicContact CB-CE1 4.09Å; K35-Y62 HydrophobicContact CD-CD1 4.01Å; K35-Y62 PolarHBondContact NZ-O 3.22Å; K35-Q81 PolarHBondContact O-NE2 3.46Å; K35-T87 HydrophobicContact CB-CG2 3.91Å; K35-T87 HydrophobicContact CG-CG2 4.08Å; K35-D90 IonicContact NZ-OD1 2.73Å; K35-D90 IonicContact NZ-OD2 3.32Å; K35-D90 PolarHBondContact NZ-OD2 3.36Å |
| 36 | N | 98.6 | Very high | 96.8 | Very high | 17 Ų | 17 | 61.6 Ų | 61.6 | 9% | 0.091 | 32% | 0.318 | C | S | . | . | trans | -90 | 119.9 | 175.7 | -57 | -39.1 | 0 | 0 | 0 | 109.9 | G27 T33 N34 Y38 Y62 N64 | G27-N36 PolarHBondContact O-ND2 2.84Å; T33-N36 PolarHBondContact O-N 3.39Å; N34-N36 VanDerWaalsContact C-N 3.31Å; N36-Y38 PolarHBondContact O-N 3.3Å; N36-Y62 WeakPolarHBondContact OD1-CE1 3.47Å; N36-Y62 PolarHBondContact OD1-OH 2.94Å; N36-N64 PolarHBondContact OD1-ND2 3.19Å | ||
| 37 | R | 98.3 | Very high | 96.8 | Very high | 42 Ų | 42 | 62.4 Ų | 62.4 | 16% | 0.158 | 32% | 0.322 | C | S | . | . | S | Bend | trans | -62.4 | -36.4 | 176.8 | 176.2 | 174.6 | -72.7 | -80.3 | 1.3 | 111.8 | G82 P83 L84 R115 K116 S206 | R37-G82 PolarHBondContact NE-O 3Å; R37-G82 PolarHBondContact NH2-O 2.86Å; R37-P83 PolarHBondContact NH2-O 3.2Å; R37-L84 HydrophobicContact CB-CD1 4.43Å; R37-L84 HydrophobicContact CB-CD2 4.09Å; R37-L84 HydrophobicContact CB-CG 4.34Å; R37-L84 HydrophobicContact CG-CD2 4.19Å; R37-R115 PolarHBondContact NH1-O 3.5Å; R37-K116 PolarHBondContact NE-O 3.42Å; R37-K116 VanDerWaalsContact NE-O 3.15Å; R37-S206 WeakPolarHBondContact CD-OG 3.25Å |
| 38 | Y | 97.5 | Very high | 96.9 | Very high | 66 Ų | 66 | 64 Ų | 64 | 26% | 0.259 | 33% | 0.328 | S | S | . | . | S | Bend | trans | -124.7 | 130.7 | 179 | -60.4 | -72.1 | 0 | 0 | 0 | 109.4 | N36 D40 V41 S206 A207 | N36-Y38 PolarHBondContact O-N 3.3Å; Y38-D40 WeakPolarHBondContact CB-OD1 3.45Å; Y38-D40 PolarHBondContact O-N 2.76Å; Y38-V41 PolarHBondContact O-N 3.17Å; Y38-S206 PolarHBondContact OH-OG 2.84Å; Y38-A207 HydrophobicContact CD2-CB 3.62Å; Y38-A207 HydrophobicContact CE2-CB 3.68Å |
| 39 | K | 95.1 | Very high | 97 | Very high | 202 Ų | 202 | 60.9 Ų | 60.9 | 88% | 0.878 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.1 | -28.8 | -175.5 | -66.1 | -176.6 | 179.5 | -179.1 | 0 | 112.8 | ||
| 40 | D | 93.6 | Very high | 97.1 | Very high | 136 Ų | 136 | 57.8 Ų | 57.8 | 73% | 0.727 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.9 | -3.1 | -179.9 | 62.2 | -41.8 | 0 | 0 | 0 | 113.5 | Y38 | Y38-D40 WeakPolarHBondContact CB-OD1 3.45Å; Y38-D40 PolarHBondContact O-N 2.76Å |
| 41 | V | 96.3 | Very high | 97.4 | Very high | 11 Ų | 11 | 50.1 Ų | 50.1 | 7% | 0.067 | 26% | 0.26 | C | S | . | . | trans | -117.3 | 94.2 | 177 | -176.2 | 0 | 0 | 0 | 0 | 109 | Y38 N64 A207 C209 | Y38-V41 PolarHBondContact O-N 3.17Å; V41-N64 PolarHBondContact O-ND2 3.17Å; V41-A207 HydrophobicContact CG2-CB 4.33Å; V41-C209 WeakPolarHBondContact CG1-SG 3.37Å | ||
| 42 | V | 97.8 | Very high | 97.6 | Very high | 18 Ų | 18 | 50.7 Ų | 50.7 | 11% | 0.109 | 26% | 0.255 | C | S | . | . | trans | -120.9 | 134.5 | 180 | -170.4 | 0 | 0 | 0 | 0 | 109.2 | T24 P248 | T24-V42 HydrophobicContact CG2-CB 4.11Å; T24-V42 HydrophobicContact CG2-CG1 4.28Å; V42-P248 WeakPolarHBondContact O-CG 3.27Å | ||
| 43 | A | 98.1 | Very high | 97.6 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 26% | 0.259 | C | S | . | . | trans | -61.6 | 139.6 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | R48 N66 | A43-R48 HydrophobicContact CB-CB 4.22Å; A43-N66 VanDerWaalsContact CA-OD1 3.3Å; A43-N66 WeakPolarHBondContact CA-OD1 3.26Å; A43-N66 VanDerWaalsContact CB-OD1 3.27Å; A43-N66 WeakPolarHBondContact CB-OD1 3.42Å | ||
| 44 | Y | 97.8 | Very high | 97.6 | Very high | 9 Ų | 9 | 48.9 Ų | 48.9 | 4% | 0.035 | 24% | 0.242 | C | C | . | . | trans | -69.1 | 133.7 | 173.7 | -59.2 | -34.1 | 0 | 0 | 0 | 111.5 | W16 K17 C22 S23 T24 E46 T47 R48 N66 R244 P248 | W16-Y44 HydrophobicContact CZ3-CE2 4.37Å; K17-Y44 WeakPolarHBondContact CE-OH 3.33Å; K17-Y44 PolarHBondContact NZ-OH 3.34Å; C22-Y44 WeakPolarHBondContact SG-CD1 3.38Å; C22-Y44 VanDerWaalsContact SG-CD2 3.59Å; C22-Y44 WeakPolarHBondContact SG-CE1 3.43Å; S23-Y44 CarbonylContact O-C 3.55Å; S23-Y44 WeakPolarHBondContact O-CA 3.13Å; T24-Y44 HydrophobicContact CG2-CD1 3.97Å; T24-Y44 HydrophobicContact CG2-CE1 4.4Å; Y44-E46 PolarHBondContact O-N 2.93Å; Y44-T47 PolarHBondContact O-N 3.47Å; Y44-R48 WeakPolarHBondContact O-CA 3.33Å; Y44-R48 VanDerWaalsContact O-CB 3.25Å; Y44-R48 WeakPolarHBondContact O-CB 3.38Å; Y44-R48 PolarHBondContact O-N 3.12Å; Y44-N66 PolarHBondContact N-ND2 2.78Å; Y44-N66 VanDerWaalsContact N-ND2 3.18Å; Y44-N66 PolarHBondContact O-ND2 3.21Å; Y44-R244 WeakPolarHBondContact CE2-O 3.41Å; Y44-P248 HydrophobicContact CD1-CG 3.92Å; Y44-P248 HydrophobicContact CD2-CG 4.19Å; Y44-P248 HydrophobicContact CE1-CB 4.01Å; Y44-P248 HydrophobicContact CE1-CG 3.57Å; Y44-P248 HydrophobicContact CE2-CB 4.16Å; Y44-P248 HydrophobicContact CE2-CG 3.82Å; Y44-P248 HydrophobicContact CG-CG 4.22Å; Y44-P248 VanDerWaalsContact CZ-CG 3.49Å; Y44-P248 VanDerWaalsContact OH-CA 3.25Å; Y44-P248 WeakPolarHBondContact OH-CA 3.3Å; Y44-P248 WeakPolarHBondContact OH-CB 3.48Å | ||
| 45 | D | 97.5 | Very high | 97.5 | Very high | 37 Ų | 37 | 49.8 Ų | 49.8 | 20% | 0.198 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -33 | -177.3 | -70.3 | -30.7 | 0 | 0 | 0 | 111.5 | S23 K25 A26 T47 | S23-D45 PolarHBondContact O-N 3.05Å; S23-D45 PolarHBondContact OG-OD2 3.3Å; K25-D45 WeakPolarHBondContact CA-OD2 3.18Å; K25-D45 VanDerWaalsContact CB-OD2 3.25Å; K25-D45 WeakPolarHBondContact CB-OD2 3.45Å; K25-D45 PolarHBondContact N-OD1 3.24Å; K25-D45 PolarHBondContact N-OD2 3.1Å; A26-D45 WeakPolarHBondContact CB-OD1 3.3Å; A26-D45 PolarHBondContact N-OD1 2.8Å; D45-T47 VanDerWaalsContact C-N 3.29Å; D45-T47 PolarHBondContact O-N 2.73Å |
| 46 | E | 96.8 | Very high | 97.3 | Very high | 97 Ų | 97 | 58 Ų | 58 | 45% | 0.453 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | -25 | -173.8 | -59.6 | 74.1 | -153.5 | 0 | 0 | 113.2 | S23 Y44 | S23-E46 PolarHBondContact N-OE1 2.98Å; S23-E46 PolarHBondContact N-OE2 3.14Å; S23-E46 PolarHBondContact OG-OE1 3.18Å; Y44-E46 PolarHBondContact O-N 2.93Å |
| 47 | T | 98 | Very high | 97.1 | Very high | 21 Ų | 21 | 62.9 Ų | 62.9 | 13% | 0.129 | 31% | 0.305 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -131.4 | 6.4 | -175.6 | 59.6 | 0 | 0 | 0 | 0 | 112.9 | Y44 D45 N66 F67 Q246 | Y44-T47 PolarHBondContact O-N 3.47Å; D45-T47 VanDerWaalsContact C-N 3.29Å; D45-T47 PolarHBondContact O-N 2.73Å; T47-N66 CarbonylContact O-C 3.56Å; T47-N66 VanDerWaalsContact O-CA 3.26Å; T47-N66 WeakPolarHBondContact O-CA 3.27Å; T47-N66 PolarHBondContact OG1-ND2 3.45Å; T47-F67 PolarHBondContact O-N 2.89Å; T47-Q246 HydrophobicContact CG2-CB 4.37Å; T47-Q246 HydrophobicContact CG2-CG 4.28Å; T47-Q246 PolarHBondContact OG1-O 3.45Å |
| 48 | R | 98.6 | Very high | 96.9 | Very high | 35 Ų | 35 | 64.3 Ų | 64.3 | 13% | 0.132 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.8 | 150 | -179.1 | 67.5 | 179.7 | -175.3 | 94.9 | -2.6 | 110.6 | A43 Y44 I50 D61 A65 N66 | A43-R48 HydrophobicContact CB-CB 4.22Å; Y44-R48 WeakPolarHBondContact O-CA 3.33Å; Y44-R48 VanDerWaalsContact O-CB 3.25Å; Y44-R48 WeakPolarHBondContact O-CB 3.38Å; Y44-R48 PolarHBondContact O-N 3.12Å; R48-I50 HydrophobicContact CG-CG1 4.27Å; R48-D61 IonicContact CZ-OD2 2.65Å; R48-D61 VanDerWaalsContact CZ-OD2 3.32Å; R48-D61 IonicContact NH1-OD1 2.74Å; R48-D61 IonicContact NH1-OD2 2.68Å; R48-D61 PolarHBondContact NH1-OD2 2.86Å; R48-D61 IonicContact NH2-OD2 3.62Å; R48-D61 PolarHBondContact NH2-OD2 2.87Å; R48-A65 VanDerWaalsContact CA-O 3.27Å; R48-A65 WeakPolarHBondContact CA-O 3.45Å; R48-N66 WeakPolarHBondContact CA-ND2 3.27Å; R48-N66 PolarHBondContact N-ND2 2.9Å |
| 49 | V | 98.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 63.9 Ų | 63.9 | 0% | 0 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 133.5 | 165.7 | -177.6 | 0 | 0 | 0 | 0 | 108.6 | L51 I63 A65 F67 I78 L94 F98 | V49-L51 HydrophobicContact CG1-CD2 4.2Å; V49-I63 HydrophobicContact CB-CG2 4.08Å; V49-I63 HydrophobicContact CG1-CG2 4.23Å; V49-A65 HydrophobicContact CB-CB 4.03Å; V49-A65 HydrophobicContact CG2-CB 3.67Å; V49-A65 PolarHBondContact N-O 3.11Å; V49-F67 HydrophobicContact CB-CE2 4.19Å; V49-F67 HydrophobicContact CB-CZ 4.49Å; V49-F67 HydrophobicContact CG1-CE2 4.25Å; V49-F67 HydrophobicContact CG1-CZ 4.19Å; V49-F67 HydrophobicContact CG2-CD2 4.01Å; V49-F67 HydrophobicContact CG2-CE1 4.32Å; V49-F67 HydrophobicContact CG2-CE2 3.8Å; V49-F67 HydrophobicContact CG2-CG 4.37Å; V49-F67 HydrophobicContact CG2-CZ 3.96Å; V49-I78 HydrophobicContact CG2-CG1 4.26Å; V49-I78 HydrophobicContact CG2-CG2 3.92Å; V49-L94 HydrophobicContact CB-CD1 4.3Å; V49-L94 HydrophobicContact CG1-CD1 3.95Å; V49-L94 HydrophobicContact CG1-CG 4.33Å; V49-L94 HydrophobicContact CG2-CD1 4.28Å; V49-F98 HydrophobicContact CG1-CD2 3.99Å; V49-F98 HydrophobicContact CG1-CE2 3.22Å; V49-F98 HydrophobicContact CG1-CZ 3.7Å |
| 50 | I | 98.8 | Very high | 96.9 | Very high | 89 Ų | 89 | 56 Ų | 56 | 46% | 0.456 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 118.6 | 177.2 | -53.4 | -174.2 | 0 | 0 | 0 | 106.7 | R48 D61 F98 | R48-I50 HydrophobicContact CG-CG1 4.27Å; I50-D61 HydrophobicContact CG2-CB 3.94Å; I50-F98 WeakPolarHBondContact O-CZ 3.35Å |
| 51 | L | 98.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 28% | 0.283 | C | S | . | . | trans | -90.9 | 121.2 | 178.9 | -60 | 177.1 | 0 | 0 | 0 | 110.8 | V49 D61 I63 D90 R93 L94 E97 F98 | V49-L51 HydrophobicContact CG1-CD2 4.2Å; L51-D61 PolarHBondContact N-O 2.84Å; L51-D61 VanDerWaalsContact O-CA 3.26Å; L51-D61 WeakPolarHBondContact O-CA 3.42Å; L51-D61 WeakPolarHBondContact O-CB 3.44Å; L51-I63 HydrophobicContact CD1-CB 3.92Å; L51-I63 HydrophobicContact CD1-CG2 3.81Å; L51-I63 HydrophobicContact CD2-CG2 4.24Å; L51-I63 HydrophobicContact CG-CG2 3.86Å; L51-D90 HydrophobicContact CD1-CB 4.12Å; L51-R93 HydrophobicContact CD1-CB 4.19Å; L51-R93 HydrophobicContact CD2-CB 4.45Å; L51-L94 HydrophobicContact CD2-CB 3.86Å; L51-E97 WeakPolarHBondContact CA-OE2 3.11Å; L51-F98 HydrophobicContact CD2-CE2 4.07Å | ||
| 52 | S | 98.4 | Very high | 97.3 | Very high | 70 Ų | 70 | 50.7 Ų | 50.7 | 49% | 0.49 | 28% | 0.28 | S | S | . | . | trans | -102.8 | -20.3 | 170.2 | 66 | 0 | 0 | 0 | 0 | 113.3 | L54 Q55 E97 | S52-L54 PolarHBondContact O-N 2.9Å; S52-Q55 WeakPolarHBondContact O-CB 3.48Å; S52-Q55 PolarHBondContact O-N 2.96Å; S52-Q55 VanDerWaalsContact O-N 3.11Å; S52-E97 VanDerWaalsContact N-CD 3.31Å; S52-E97 PolarHBondContact N-OE1 3.33Å; S52-E97 PolarHBondContact N-OE2 3.26Å; S52-E97 PolarHBondContact OG-OE1 2.76Å; S52-E97 VanDerWaalsContact OG-OE1 3.09Å | ||
| 53 | L | 97.9 | Very high | 97.3 | Very high | 36 Ų | 36 | 50.2 Ų | 50.2 | 19% | 0.188 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | 132.7 | -179.3 | -173.6 | 65.7 | 0 | 0 | 0 | 110.7 | Q55 R93 W96 E97 F133 F156 | L53-Q55 PolarHBondContact O-N 3.39Å; L53-R93 HydrophobicContact CD2-CB 4.48Å; L53-R93 PolarHBondContact O-NE 3.03Å; L53-R93 PolarHBondContact O-NH2 2.88Å; L53-W96 HydrophobicContact CD2-CB 3.95Å; L53-W96 HydrophobicContact CD2-CG 4.04Å; L53-E97 HydrophobicContact CB-CB 4.15Å; L53-E97 HydrophobicContact CB-CG 4.31Å; L53-E97 WeakPolarHBondContact CB-OE2 3.42Å; L53-E97 HydrophobicContact CD2-CB 4.39Å; L53-E97 PolarHBondContact N-OE2 2.84Å; L53-F133 HydrophobicContact CD2-CZ 3.88Å; L53-F156 HydrophobicContact CD1-CE1 4.13Å; L53-F156 HydrophobicContact CD1-CZ 4.27Å |
| 54 | L | 97.5 | Very high | 97.3 | Very high | 12 Ų | 12 | 50.3 Ų | 50.3 | 6% | 0.063 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 63.2 | 17.2 | -174.2 | -44.9 | 177.6 | 0 | 0 | 0 | 115.2 | S52 E56 E57 H59 L89 R93 P132 F156 | S52-L54 PolarHBondContact O-N 2.9Å; L54-E56 VanDerWaalsContact C-N 3.3Å; L54-E56 PolarHBondContact O-N 3Å; L54-E57 HydrophobicContact CB-CB 4.48Å; L54-E57 VanDerWaalsContact CD2-OE1 3.27Å; L54-E57 WeakPolarHBondContact CD2-OE1 3.47Å; L54-E57 PolarHBondContact O-N 2.84Å; L54-E57 VanDerWaalsContact O-N 3.16Å; L54-H59 HydrophobicContact CB-CB 4.28Å; L54-H59 WeakPolarHBondContact O-CB 3.27Å; L54-H59 PolarHBondContact O-CD2 3.01Å; L54-H59 PolarHBondContact O-N 2.96Å; L54-L89 HydrophobicContact CD1-CD1 4.17Å; L54-R93 HydrophobicContact CD1-CG 4.08Å; L54-P132 HydrophobicContact CD1-CG 3.75Å; L54-P132 HydrophobicContact CD2-CG 4.45Å; L54-F156 HydrophobicContact CD2-CE2 3.96Å; L54-F156 HydrophobicContact CD2-CZ 3.76Å |
| 55 | Q | 95.1 | Very high | 97.4 | Very high | 115 Ų | 115 | 49.9 Ų | 49.9 | 54% | 0.537 | 28% | 0.275 | S | S | . | . | G | 310 helix | trans | -64 | -35.6 | 177.9 | -171.9 | 175.9 | 27.8 | 0 | 0 | 112.5 | S52 L53 E57 G58 | S52-Q55 WeakPolarHBondContact O-CB 3.48Å; S52-Q55 PolarHBondContact O-N 2.96Å; S52-Q55 VanDerWaalsContact O-N 3.11Å; L53-Q55 PolarHBondContact O-N 3.39Å; Q55-E57 PolarHBondContact O-N 3.36Å; Q55-G58 PolarHBondContact O-N 3.31Å |
| 56 | E | 93.8 | Very high | 97.5 | Very high | 205 Ų | 205 | 48.1 Ų | 48.1 | 96% | 0.958 | 27% | 0.266 | S | S | * | . | G | 310 helix | trans | -63.2 | -23.2 | 175.6 | -61.6 | -178.2 | -174.1 | 0 | 0 | 112.9 | L54 G58 | L54-E56 VanDerWaalsContact C-N 3.3Å; L54-E56 PolarHBondContact O-N 3Å; E56-G58 VanDerWaalsContact C-N 3.26Å; E56-G58 PolarHBondContact O-N 3.38Å |
| 57 | E | 94 | Very high | 97.6 | Very high | 120 Ų | 120 | 44.3 Ų | 44.3 | 56% | 0.561 | 25% | 0.248 | S | C | * | . | G | 310 helix | trans | -87.8 | 7.3 | 175.8 | -62.4 | 170 | -146.7 | 0 | 0 | 112.3 | L54 Q55 | L54-E57 HydrophobicContact CB-CB 4.48Å; L54-E57 VanDerWaalsContact CD2-OE1 3.27Å; L54-E57 WeakPolarHBondContact CD2-OE1 3.47Å; L54-E57 PolarHBondContact O-N 2.84Å; L54-E57 VanDerWaalsContact O-N 3.16Å; Q55-E57 PolarHBondContact O-N 3.36Å |
| 58 | G | 94.4 | Very high | 97.6 | Very high | 71 Ų | 71 | 43.4 Ų | 43.4 | 73% | 0.732 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 89.1 | 7.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | Q55 E56 | Q55-G58 PolarHBondContact O-N 3.31Å; E56-G58 VanDerWaalsContact C-N 3.26Å; E56-G58 PolarHBondContact O-N 3.38Å |
| 59 | H | 96.8 | Very high | 97.6 | Very high | 57 Ų | 57 | 48.3 Ų | 48.3 | 26% | 0.264 | 26% | 0.261 | S | S | . | . | trans | -75.5 | 129.2 | 175.5 | -67.3 | -81 | 0 | 0 | 0 | 111.6 | L54 L89 | L54-H59 HydrophobicContact CB-CB 4.28Å; L54-H59 WeakPolarHBondContact O-CB 3.27Å; L54-H59 PolarHBondContact O-CD2 3.01Å; L54-H59 PolarHBondContact O-N 2.96Å; H59-L89 WeakPolarHBondContact CE1-CD2 3.44Å | ||
| 60 | G | 96.6 | Very high | 97.5 | Very high | 37 Ų | 37 | 48.6 Ų | 48.6 | 38% | 0.381 | 26% | 0.264 | S | S | . | . | trans | -65.9 | 167.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | R93 | G60-R93 PolarHBondContact O-NH1 2.93Å; G60-R93 PolarHBondContact O-NH2 2.92Å | ||
| 61 | D | 98.3 | Very high | 97.4 | Very high | 36 Ų | 36 | 47 Ų | 47 | 19% | 0.193 | 26% | 0.255 | C | S | . | . | S | Bend | trans | -89 | -2.8 | -175.1 | 75.9 | -30.1 | 0 | 0 | 0 | 114.5 | R48 I50 L51 | R48-D61 IonicContact CZ-OD2 2.65Å; R48-D61 VanDerWaalsContact CZ-OD2 3.32Å; R48-D61 IonicContact NH1-OD1 2.74Å; R48-D61 IonicContact NH1-OD2 2.68Å; R48-D61 PolarHBondContact NH1-OD2 2.86Å; R48-D61 IonicContact NH2-OD2 3.62Å; R48-D61 PolarHBondContact NH2-OD2 2.87Å; I50-D61 HydrophobicContact CG2-CB 3.94Å; L51-D61 PolarHBondContact N-O 2.84Å; L51-D61 VanDerWaalsContact O-CA 3.26Å; L51-D61 WeakPolarHBondContact O-CA 3.42Å; L51-D61 WeakPolarHBondContact O-CB 3.44Å |
| 62 | Y | 98.7 | Very high | 97.2 | Very high | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 131 | -170.2 | -176.3 | -98.2 | 0 | 0 | 0 | 113.4 | A26 G27 N32 K35 N36 N64 | A26-Y62 HydrophobicContact CB-CD2 4.34Å; G27-Y62 VanDerWaalsContact CA-OH 3.31Å; G27-Y62 WeakPolarHBondContact CA-OH 3.21Å; N32-Y62 HydrophobicContact CB-CD1 3.59Å; N32-Y62 HydrophobicContact CB-CE1 3.95Å; N32-Y62 HydrophobicContact CB-CG 3.94Å; N32-Y62 VanDerWaalsContact CG-CB 3.46Å; N32-Y62 VanDerWaalsContact CG-CG 3.5Å; N32-Y62 VanDerWaalsContact ND2-CB 3.31Å; N32-Y62 WeakPolarHBondContact ND2-CB 3.35Å; N32-Y62 WeakPolarHBondContact OD1-CB 3.03Å; K35-Y62 HydrophobicContact CB-CD1 4.13Å; K35-Y62 HydrophobicContact CB-CE1 4.09Å; K35-Y62 HydrophobicContact CD-CD1 4.01Å; K35-Y62 PolarHBondContact NZ-O 3.22Å; N36-Y62 WeakPolarHBondContact OD1-CE1 3.47Å; N36-Y62 PolarHBondContact OD1-OH 2.94Å; Y62-N64 HydrophobicContact CE1-CB 4.46Å |
| 63 | I | 98.9 | Very high | 97 | Very high | 8 Ų | 8 | 51.3 Ų | 51.3 | 4% | 0.041 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 146.1 | 162.1 | -178.9 | 163.1 | 0 | 0 | 0 | 107.9 | V49 L51 A65 D90 L94 | V49-I63 HydrophobicContact CB-CG2 4.08Å; V49-I63 HydrophobicContact CG1-CG2 4.23Å; L51-I63 HydrophobicContact CD1-CB 3.92Å; L51-I63 HydrophobicContact CD1-CG2 3.81Å; L51-I63 HydrophobicContact CD2-CG2 4.24Å; L51-I63 HydrophobicContact CG-CG2 3.86Å; I63-A65 HydrophobicContact CG1-CB 4.46Å; I63-A65 HydrophobicContact CG2-CB 4.17Å; I63-A65 PolarHBondContact O-N 3.45Å; I63-D90 HydrophobicContact CB-CB 4.46Å; I63-D90 HydrophobicContact CD1-CB 4.1Å; I63-D90 WeakPolarHBondContact CD1-O 3.46Å; I63-D90 HydrophobicContact CG1-CB 4.49Å; I63-L94 HydrophobicContact CD1-CB 4.15Å; I63-L94 HydrophobicContact CD1-CD1 3.78Å; I63-L94 HydrophobicContact CG1-CD1 4.47Å; I63-L94 HydrophobicContact CG2-CD1 3.96Å |
| 64 | N | 98.9 | Very high | 96.9 | Very high | 1 Ų | 1 | 52 Ų | 52 | 1% | 0.005 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 76.9 | 177.5 | -168.3 | -35.2 | 0 | 0 | 0 | 110.7 | N36 V41 Y62 T80 Q81 R247 | N36-N64 PolarHBondContact OD1-ND2 3.19Å; V41-N64 PolarHBondContact O-ND2 3.17Å; Y62-N64 HydrophobicContact CE1-CB 4.46Å; N64-T80 PolarHBondContact O-OG1 3.18Å; N64-Q81 HydrophobicContact CB-CG 4.16Å; N64-Q81 PolarHBondContact ND2-OE1 3.12Å; N64-Q81 PolarHBondContact O-N 3.26Å; N64-R247 PolarHBondContact OD1-NH1 2.98Å; N64-R247 PolarHBondContact OD1-NH2 3.37Å |
| 65 | A | 98.9 | Very high | 96.8 | Very high | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 150.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | R48 V49 I63 I78 A79 T80 L94 | R48-A65 VanDerWaalsContact CA-O 3.27Å; R48-A65 WeakPolarHBondContact CA-O 3.45Å; V49-A65 HydrophobicContact CB-CB 4.03Å; V49-A65 HydrophobicContact CG2-CB 3.67Å; V49-A65 PolarHBondContact N-O 3.11Å; I63-A65 HydrophobicContact CG1-CB 4.46Å; I63-A65 HydrophobicContact CG2-CB 4.17Å; I63-A65 PolarHBondContact O-N 3.45Å; A65-I78 HydrophobicContact CB-CG2 4.03Å; A65-A79 CarbonylContact C-O 3.58Å; A65-A79 VanDerWaalsContact CA-O 3.27Å; A65-A79 WeakPolarHBondContact CA-O 3.44Å; A65-T80 WeakPolarHBondContact CB-OG1 3.47Å; A65-L94 HydrophobicContact CB-CD1 3.87Å |
| 66 | N | 98.9 | Very high | 97 | Very high | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 146.4 | 172 | -65.7 | 92.9 | 0 | 0 | 0 | 110.4 | A43 Y44 T47 R48 A79 Q246 R247 | A43-N66 VanDerWaalsContact CA-OD1 3.3Å; A43-N66 WeakPolarHBondContact CA-OD1 3.26Å; A43-N66 VanDerWaalsContact CB-OD1 3.27Å; A43-N66 WeakPolarHBondContact CB-OD1 3.42Å; Y44-N66 PolarHBondContact N-ND2 2.78Å; Y44-N66 VanDerWaalsContact N-ND2 3.18Å; Y44-N66 PolarHBondContact O-ND2 3.21Å; T47-N66 CarbonylContact O-C 3.56Å; T47-N66 VanDerWaalsContact O-CA 3.26Å; T47-N66 WeakPolarHBondContact O-CA 3.27Å; T47-N66 PolarHBondContact OG1-ND2 3.45Å; R48-N66 WeakPolarHBondContact CA-ND2 3.27Å; R48-N66 PolarHBondContact N-ND2 2.9Å; N66-A79 PolarHBondContact N-O 2.97Å; N66-A79 PolarHBondContact O-N 2.8Å; N66-Q246 WeakPolarHBondContact CB-O 3.31Å; N66-Q246 VanDerWaalsContact CG-O 3.31Å; N66-Q246 PolarHBondContact ND2-O 3.33Å; N66-R247 HydrophobicContact CB-CB 4.35Å; N66-R247 WeakPolarHBondContact OD1-CD 3.36Å; N66-R247 PolarHBondContact OD1-NH1 3.15Å |
| 67 | F | 98.9 | Very high | 97.2 | Very high | 18 Ų | 18 | 41.8 Ų | 41.8 | 8% | 0.079 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 142.7 | 163.9 | -69.9 | -71.6 | 0 | 0 | 0 | 110.3 | T47 V49 Q75 Y77 I78 F98 | T47-F67 PolarHBondContact O-N 2.89Å; V49-F67 HydrophobicContact CB-CE2 4.19Å; V49-F67 HydrophobicContact CB-CZ 4.49Å; V49-F67 HydrophobicContact CG1-CE2 4.25Å; V49-F67 HydrophobicContact CG1-CZ 4.19Å; V49-F67 HydrophobicContact CG2-CD2 4.01Å; V49-F67 HydrophobicContact CG2-CE1 4.32Å; V49-F67 HydrophobicContact CG2-CE2 3.8Å; V49-F67 HydrophobicContact CG2-CG 4.37Å; V49-F67 HydrophobicContact CG2-CZ 3.96Å; F67-Q75 HydrophobicContact CB-CB 4.49Å; F67-Q75 HydrophobicContact CB-CG 4.08Å; F67-Q75 HydrophobicContact CD1-CB 3.7Å; F67-Q75 HydrophobicContact CD1-CG 3.88Å; F67-Q75 HydrophobicContact CE1-CB 4.18Å; F67-Q75 HydrophobicContact CE1-CG 4.45Å; F67-Q75 HydrophobicContact CG-CB 4.24Å; F67-Q75 HydrophobicContact CG-CG 3.92Å; F67-Y77 WeakPolarHBondContact CA-O 3.44Å; F67-I78 HydrophobicContact CD1-CD1 4.46Å; F67-I78 HydrophobicContact CD1-CG1 3.67Å; F67-I78 HydrophobicContact CE1-CD1 3.75Å; F67-I78 HydrophobicContact CE1-CG1 3.47Å; F67-I78 VanDerWaalsContact CE1-CG1 3.47Å; F67-I78 HydrophobicContact CZ-CD1 4.37Å; F67-I78 HydrophobicContact CZ-CG1 4.38Å; F67-F98 HydrophobicContact CE1-CD1 4.25Å; F67-F98 HydrophobicContact CE1-CE1 4.45Å; F67-F98 HydrophobicContact CE2-CE1 4.37Å; F67-F98 HydrophobicContact CE2-CZ 4.47Å; F67-F98 AromaticContact CZ-CD1 3.77Å; F67-F98 HydrophobicContact CZ-CD1 3.77Å; F67-F98 AromaticContact CZ-CE1 3.55Å; F67-F98 HydrophobicContact CZ-CE1 3.55Å; F67-F98 HydrophobicContact CZ-CE2 4.36Å; F67-F98 HydrophobicContact CZ-CG 4.29Å; F67-F98 AromaticContact CZ-CZ 3.87Å; F67-F98 HydrophobicContact CZ-CZ 3.87Å |
| 68 | I | 98.8 | Very high | 97.5 | Very high | 1 Ų | 1 | 36.1 Ų | 36.1 | 1% | 0.005 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 134.4 | 166.6 | -56.5 | 176.8 | 0 | 0 | 0 | 107.4 | A76 Y77 A79 M243 Q246 R247 | I68-A76 PolarHBondContact O-N 3.34Å; I68-Y77 HydrophobicContact CB-CD2 3.98Å; I68-Y77 HydrophobicContact CG2-CD2 4.01Å; I68-Y77 PolarHBondContact N-O 2.83Å; I68-Y77 WeakPolarHBondContact O-CD2 3.37Å; I68-Y77 PolarHBondContact O-N 3.23Å; I68-Y77 VanDerWaalsContact O-N 3.14Å; I68-A79 HydrophobicContact CD1-CB 3.67Å; I68-A79 HydrophobicContact CG1-CB 4.21Å; I68-M243 HydrophobicContact CG2-CE 4.49Å; I68-M243 HydrophobicContact CG2-CG 4.04Å; I68-Q246 HydrophobicContact CG1-CB 4.22Å; I68-R247 HydrophobicContact CD1-CB 3.9Å; I68-R247 HydrophobicContact CG1-CB 4.23Å |
| 69 | R | 98.4 | Very high | 97.7 | Very high | 139 Ų | 139 | 32.8 Ų | 32.8 | 53% | 0.525 | 18% | 0.184 | S | C | . | . | trans | -72.5 | 144.7 | -179.1 | -67.4 | -179.7 | -139.8 | -85 | -0.2 | 112.6 | S74 | R69-S74 CarbonylContact C-O 3.56Å; R69-S74 WeakPolarHBondContact CA-O 3.12Å | ||
| 70 | G | 97.3 | Very high | 97.8 | Very high | 6 Ų | 6 | 30.1 Ų | 30.1 | 6% | 0.062 | 17% | 0.171 | C | C | . | . | trans | -83.1 | -176.8 | 168.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | D72 G73 S74 A76 Y220 | G70-D72 PolarHBondContact O-N 2.88Å; G70-G73 PolarHBondContact O-N 2.73Å; G70-S74 PolarHBondContact N-O 3.32Å; G70-A76 VanDerWaalsContact CA-CB 3.45Å; G70-Y220 VanDerWaalsContact C-CE2 3.49Å | ||
| 71 | I | 96.2 | Very high | 97.9 | Very high | 54 Ų | 54 | 28.7 Ų | 28.7 | 28% | 0.277 | 16% | 0.155 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -23.3 | -177.9 | 63.9 | 165.6 | 0 | 0 | 0 | 113.3 | Y220 Q223 L224 T227 | I71-Y220 HydrophobicContact CB-CE2 4.36Å; I71-Y220 HydrophobicContact CG2-CD1 4.24Å; I71-Y220 HydrophobicContact CG2-CD2 3.85Å; I71-Y220 HydrophobicContact CG2-CE1 4.09Å; I71-Y220 HydrophobicContact CG2-CE2 3.69Å; I71-Y220 HydrophobicContact CG2-CG 4.12Å; I71-Y220 WeakPolarHBondContact CG2-O 3.39Å; I71-Q223 HydrophobicContact CD1-CB 3.91Å; I71-Q223 HydrophobicContact CG1-CB 4.34Å; I71-Q223 HydrophobicContact CG2-CB 4.09Å; I71-L224 HydrophobicContact CB-CD2 3.83Å; I71-L224 HydrophobicContact CB-CG 4.47Å; I71-L224 HydrophobicContact CG2-CD2 3.5Å; I71-L224 HydrophobicContact CG2-CG 3.61Å; I71-T227 HydrophobicContact CD1-CG2 3.88Å; I71-T227 WeakPolarHBondContact CD1-OG1 3.21Å |
| 72 | D | 93.9 | Very high | 97.9 | Very high | 121 Ų | 121 | 27 Ų | 27 | 65% | 0.647 | 15% | 0.146 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -95.9 | 4 | 178.4 | 64.4 | -11.7 | 0 | 0 | 0 | 112.6 | G70 S74 | G70-D72 PolarHBondContact O-N 2.88Å; D72-S74 VanDerWaalsContact CG-OG 3.31Å; D72-S74 PolarHBondContact O-N 3.15Å; D72-S74 WeakPolarHBondContact OD1-CB 3.4Å; D72-S74 PolarHBondContact OD1-N 2.91Å; D72-S74 PolarHBondContact OD1-OG 3.21Å; D72-S74 PolarHBondContact OD2-OG 3.26Å |
| 73 | G | 94.7 | Very high | 97.9 | Very high | 40 Ų | 40 | 27 Ų | 27 | 41% | 0.412 | 15% | 0.146 | S | C | . | . | S | Bend | trans | 80.1 | -3.5 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115 | G70 | G70-G73 PolarHBondContact O-N 2.73Š|
| 74 | S | 95.5 | Very high | 97.9 | Very high | 51 Ų | 51 | 27.7 Ų | 27.7 | 36% | 0.357 | 15% | 0.149 | S | C | . | . | S | Bend | trans | -66.5 | 161.1 | 175.6 | 70.6 | 0 | 0 | 0 | 0 | 111.7 | R69 G70 D72 A76 | R69-S74 CarbonylContact C-O 3.56Å; R69-S74 WeakPolarHBondContact CA-O 3.12Å; G70-S74 PolarHBondContact N-O 3.32Å; D72-S74 VanDerWaalsContact CG-OG 3.31Å; D72-S74 PolarHBondContact O-N 3.15Å; D72-S74 WeakPolarHBondContact OD1-CB 3.4Å; D72-S74 PolarHBondContact OD1-N 2.91Å; D72-S74 PolarHBondContact OD1-OG 3.21Å; D72-S74 PolarHBondContact OD2-OG 3.26Å; S74-A76 PolarHBondContact O-N 2.85Å |
| 75 | Q | 97 | Very high | 97.9 | Very high | 101 Ų | 101 | 31.3 Ų | 31.3 | 47% | 0.472 | 17% | 0.173 | S | C | . | . | trans | -74.1 | 73.4 | 171.1 | -70.3 | 179.3 | -17.5 | 0 | 0 | 110.2 | F67 Y77 P200 | F67-Q75 HydrophobicContact CB-CB 4.49Å; F67-Q75 HydrophobicContact CB-CG 4.08Å; F67-Q75 HydrophobicContact CD1-CB 3.7Å; F67-Q75 HydrophobicContact CD1-CG 3.88Å; F67-Q75 HydrophobicContact CE1-CB 4.18Å; F67-Q75 HydrophobicContact CE1-CG 4.45Å; F67-Q75 HydrophobicContact CG-CB 4.24Å; F67-Q75 HydrophobicContact CG-CG 3.92Å; Q75-Y77 VanDerWaalsContact C-N 3.34Å; Q75-Y77 PolarHBondContact O-N 3.4Å; Q75-P200 WeakPolarHBondContact O-CB 3.48Å | ||
| 76 | A | 97.8 | Very high | 97.8 | Very high | 14 Ų | 14 | 36.2 Ų | 36.2 | 12% | 0.116 | 20% | 0.196 | C | C | . | . | trans | -74.9 | -22.6 | -173.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | I68 G70 S74 P200 L201 | I68-A76 PolarHBondContact O-N 3.34Å; G70-A76 VanDerWaalsContact CA-CB 3.45Å; S74-A76 PolarHBondContact O-N 2.85Å; A76-P200 WeakPolarHBondContact O-CA 3.35Å; A76-L201 PolarHBondContact O-N 3.39Å | ||
| 77 | Y | 98.8 | Very high | 97.8 | Very high | 3 Ų | 3 | 36.5 Ų | 36.5 | 1% | 0.012 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 147.1 | -178.3 | -38.9 | -85.3 | 0 | 0 | 0 | 111.9 | F67 I68 Q75 L201 V203 D219 Y220 | F67-Y77 WeakPolarHBondContact CA-O 3.44Å; I68-Y77 HydrophobicContact CB-CD2 3.98Å; I68-Y77 HydrophobicContact CG2-CD2 4.01Å; I68-Y77 PolarHBondContact N-O 2.83Å; I68-Y77 WeakPolarHBondContact O-CD2 3.37Å; I68-Y77 PolarHBondContact O-N 3.23Å; I68-Y77 VanDerWaalsContact O-N 3.14Å; Q75-Y77 VanDerWaalsContact C-N 3.34Å; Q75-Y77 PolarHBondContact O-N 3.4Å; Y77-L201 CarbonylContact C-O 3.53Å; Y77-L201 WeakPolarHBondContact CA-O 3.08Å; Y77-L201 HydrophobicContact CD1-CB 4.19Å; Y77-L201 HydrophobicContact CD1-CD1 4.32Å; Y77-L201 HydrophobicContact CE1-CD1 4.19Å; Y77-V203 HydrophobicContact CD1-CG2 4.49Å; Y77-D219 HydrophobicContact CE1-CB 4.28Å; Y77-D219 WeakPolarHBondContact CE1-OD2 3.24Å; Y77-D219 VanDerWaalsContact CZ-OD2 3.26Å; Y77-D219 PolarHBondContact OH-OD2 2.94Å; Y77-Y220 HydrophobicContact CE2-CD2 4.45Å; Y77-Y220 WeakPolarHBondContact OH-CA 3.29Å; Y77-Y220 PolarHBondContact OH-N 3.33Å |
| 78 | I | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 113.2 | 159.6 | -67.9 | 172.8 | 0 | 0 | 0 | 107.7 | V49 A65 F67 L94 F98 V100 P200 L201 V203 | V49-I78 HydrophobicContact CG2-CG1 4.26Å; V49-I78 HydrophobicContact CG2-CG2 3.92Å; A65-I78 HydrophobicContact CB-CG2 4.03Å; F67-I78 HydrophobicContact CD1-CD1 4.46Å; F67-I78 HydrophobicContact CD1-CG1 3.67Å; F67-I78 HydrophobicContact CE1-CD1 3.75Å; F67-I78 HydrophobicContact CE1-CG1 3.47Å; F67-I78 VanDerWaalsContact CE1-CG1 3.47Å; F67-I78 HydrophobicContact CZ-CD1 4.37Å; F67-I78 HydrophobicContact CZ-CG1 4.38Å; I78-L94 HydrophobicContact CD1-CD2 3.78Å; I78-L94 HydrophobicContact CD1-CG 4.12Å; I78-L94 HydrophobicContact CG2-CD1 3.82Å; I78-L94 HydrophobicContact CG2-CD2 4.04Å; I78-L94 HydrophobicContact CG2-CG 4.4Å; I78-F98 HydrophobicContact CD1-CB 3.93Å; I78-F98 HydrophobicContact CD1-CD2 4Å; I78-F98 HydrophobicContact CD1-CG 3.99Å; I78-V100 HydrophobicContact CD1-CG2 4.31Å; I78-P200 HydrophobicContact CD1-CB 4.27Å; I78-P200 HydrophobicContact CD1-CG 3.55Å; I78-P200 HydrophobicContact CG1-CB 3.97Å; I78-P200 HydrophobicContact CG1-CG 3.79Å; I78-L201 PolarHBondContact N-O 2.82Å; I78-V203 PolarHBondContact O-N 2.68Å |
| 79 | A | 98.9 | Very high | 97.8 | Very high | 1 Ų | 1 | 38.4 Ų | 38.4 | 1% | 0.008 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 113.5 | 171.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | A65 N66 I68 V203 T212 R247 | A65-A79 CarbonylContact C-O 3.58Å; A65-A79 VanDerWaalsContact CA-O 3.27Å; A65-A79 WeakPolarHBondContact CA-O 3.44Å; N66-A79 PolarHBondContact N-O 2.97Å; N66-A79 PolarHBondContact O-N 2.8Å; I68-A79 HydrophobicContact CD1-CB 3.67Å; I68-A79 HydrophobicContact CG1-CB 4.21Å; A79-V203 WeakPolarHBondContact CA-O 3.31Å; A79-T212 HydrophobicContact CB-CG2 3.67Å; A79-R247 HydrophobicContact CB-CB 4.22Å; A79-R247 HydrophobicContact CB-CG 3.84Å |
| 80 | T | 98.9 | Very high | 97.9 | Very high | 1 Ų | 1 | 32.1 Ų | 32.1 | 1% | 0.006 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 161.8 | -175 | -170.6 | 0 | 0 | 0 | 0 | 112.6 | N64 A65 F91 V203 H204 G208 | N64-T80 PolarHBondContact O-OG1 3.18Å; A65-T80 WeakPolarHBondContact CB-OG1 3.47Å; T80-F91 HydrophobicContact CG2-CD2 4.41Å; T80-F91 HydrophobicContact CG2-CE2 4.04Å; T80-V203 PolarHBondContact N-O 3.2Å; T80-V203 VanDerWaalsContact N-O 3.08Å; T80-H204 HydrophobicContact CG2-CB 3.72Å; T80-H204 WeakPolarHBondContact O-CA 2.94Å; T80-H204 WeakPolarHBondContact O-CB 3.35Å; T80-G208 WeakPolarHBondContact O-CA 3.38Å |
| 81 | Q | 98.8 | Very high | 97.9 | Very high | 7 Ų | 7 | 31.9 Ų | 31.9 | 3% | 0.033 | 18% | 0.182 | C | C | . | . | P | Polyproline II helix | trans | -72.5 | 159.9 | 171.2 | 73.5 | 177.6 | 31.6 | 0 | 0 | 111.5 | K35 N64 S206 | K35-Q81 PolarHBondContact O-NE2 3.46Å; N64-Q81 HydrophobicContact CB-CG 4.16Å; N64-Q81 PolarHBondContact ND2-OE1 3.12Å; N64-Q81 PolarHBondContact O-N 3.26Å; Q81-S206 WeakPolarHBondContact CA-O 3.25Å; Q81-S206 WeakPolarHBondContact CB-O 3.41Å |
| 82 | G | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 17% | 0.169 | C | C | . | . | P | Polyproline II helix | trans | -64.2 | 122.5 | 165.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | R37 C205 S206 | R37-G82 PolarHBondContact NE-O 3Å; R37-G82 PolarHBondContact NH2-O 2.86Å; G82-C205 WeakPolarHBondContact CA-O 3.4Å; G82-C205 PolarHBondContact N-O 2.86Å; G82-S206 PolarHBondContact N-O 2.7Å |
| 83 | P | 98.8 | Very high | 98.3 | Very high | 2 Ų | 2 | 23.6 Ų | 23.6 | 1% | 0.013 | 14% | 0.138 | C | C | . | . | P | Polyproline II helix | trans | -57.4 | 147.8 | -171.7 | 21.4 | -34.5 | 0 | 0 | 0 | 112.4 | R37 L88 F91 C117 E118 Y120 | R37-P83 PolarHBondContact NH2-O 3.2Å; P83-L88 HydrophobicContact CB-CD2 4.13Å; P83-L88 HydrophobicContact CG-CD2 4.15Å; P83-F91 HydrophobicContact CB-CB 4.06Å; P83-F91 HydrophobicContact CB-CD2 4.41Å; P83-F91 HydrophobicContact CB-CG 4.3Å; P83-F91 HydrophobicContact CG-CB 4.41Å; P83-F91 HydrophobicContact CG-CD2 4.16Å; P83-F91 HydrophobicContact CG-CG 4.15Å; P83-C117 VanDerWaalsContact CD-SG 3.58Å; P83-E118 VanDerWaalsContact O-CB 3.27Å; P83-E118 WeakPolarHBondContact O-CB 3.16Å; P83-E118 PolarHBondContact O-N 2.91Å; P83-Y120 HydrophobicContact CG-CD1 3.57Å; P83-Y120 HydrophobicContact CG-CE1 4.38Å; P83-Y120 HydrophobicContact CG-CG 4.22Å |
| 84 | L | 98.7 | Very high | 98.5 | Very high | 21 Ų | 21 | 21.7 Ų | 21.7 | 11% | 0.11 | 12% | 0.119 | C | C | . | . | P | Polyproline II helix | trans | -88.3 | 162.3 | 169.3 | -63.4 | 163.1 | 0 | 0 | 0 | 109 | R37 H86 T87 L88 | R37-L84 HydrophobicContact CB-CD1 4.43Å; R37-L84 HydrophobicContact CB-CD2 4.09Å; R37-L84 HydrophobicContact CB-CG 4.34Å; R37-L84 HydrophobicContact CG-CD2 4.19Å; L84-H86 VanDerWaalsContact C-N 3.27Å; L84-H86 PolarHBondContact O-N 2.99Å; L84-T87 HydrophobicContact CB-CG2 4.13Å; L84-T87 HydrophobicContact CD1-CG2 4.23Å; L84-T87 PolarHBondContact N-OG1 3.27Å; L84-T87 CarbonylContact O-C 3.58Å; L84-T87 PolarHBondContact O-N 2.92Å; L84-T87 PolarHBondContact O-OG1 3.34Å; L84-L88 PolarHBondContact O-N 3.04Å |
| 85 | P | 98.5 | Very high | 98.7 | Very high | 78 Ų | 78 | 19.4 Ų | 19.4 | 51% | 0.506 | 10% | 0.103 | S | C | . | . | G | 310 helix | trans | -50.1 | -46.3 | 176.4 | -28.6 | 35.3 | 0 | 0 | 0 | 113.3 | T87 E118 | P85-T87 VanDerWaalsContact C-N 3.32Å; P85-T87 PolarHBondContact O-N 2.91Å; P85-E118 HydrophobicContact CG-CG 4.17Å |
| 86 | H | 98.4 | Very high | 98.7 | Very high | 103 Ų | 103 | 15.5 Ų | 15.5 | 48% | 0.477 | 8% | 0.084 | S | C | . | . | G | 310 helix | trans | -83.7 | 1.5 | 179.9 | 59.2 | -79.3 | 0 | 0 | 0 | 114.7 | N34 L84 | N34-H86 PolarHBondContact O-CE1 2.88Å; N34-H86 PolarHBondContact O-NE2 2.88Å; L84-H86 VanDerWaalsContact C-N 3.27Å; L84-H86 PolarHBondContact O-N 2.99Å |
| 87 | T | 98.8 | Very high | 98.8 | Very high | 5 Ų | 5 | 17.2 Ų | 17.2 | 3% | 0.031 | 9% | 0.09 | C | C | . | . | G | 310 helix | trans | -115.8 | 10.4 | 173.3 | 75.1 | 0 | 0 | 0 | 0 | 112.5 | K35 L84 P85 L89 D90 F91 | K35-T87 HydrophobicContact CB-CG2 3.91Å; K35-T87 HydrophobicContact CG-CG2 4.08Å; L84-T87 HydrophobicContact CB-CG2 4.13Å; L84-T87 HydrophobicContact CD1-CG2 4.23Å; L84-T87 PolarHBondContact N-OG1 3.27Å; L84-T87 CarbonylContact O-C 3.58Å; L84-T87 PolarHBondContact O-N 2.92Å; L84-T87 PolarHBondContact O-OG1 3.34Å; P85-T87 VanDerWaalsContact C-N 3.32Å; P85-T87 PolarHBondContact O-N 2.91Å; T87-L89 VanDerWaalsContact C-N 3.29Å; T87-L89 PolarHBondContact O-N 3.05Å; T87-D90 PolarHBondContact O-N 3.08Å; T87-F91 PolarHBondContact O-N 2.92Å |
| 88 | L | 98.8 | Very high | 98.8 | Very high | 28 Ų | 28 | 19.4 Ų | 19.4 | 15% | 0.147 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -60.1 | -40.6 | 175.1 | -77.7 | 174.2 | 0 | 0 | 0 | 111.7 | P83 L84 F91 W92 E118 A130 | P83-L88 HydrophobicContact CB-CD2 4.13Å; P83-L88 HydrophobicContact CG-CD2 4.15Å; L84-L88 PolarHBondContact O-N 3.04Å; L88-F91 PolarHBondContact O-N 3.4Å; L88-W92 PolarHBondContact O-N 2.96Å; L88-W92 VanDerWaalsContact O-N 3.11Å; L88-E118 HydrophobicContact CD1-CG 4.09Å; L88-E118 HydrophobicContact CD2-CB 4.33Å; L88-E118 HydrophobicContact CD2-CG 4.37Å; L88-E118 HydrophobicContact CG-CG 4.41Å; L88-A130 HydrophobicContact CB-CB 4.41Å |
| 89 | L | 98.8 | Very high | 98.7 | Very high | 32 Ų | 32 | 20.9 Ų | 20.9 | 17% | 0.168 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -62.7 | -46.6 | 174.5 | 175.5 | 55.7 | 0 | 0 | 0 | 111.4 | L54 H59 T87 F91 W92 R93 F133 | L54-L89 HydrophobicContact CD1-CD1 4.17Å; H59-L89 WeakPolarHBondContact CE1-CD2 3.44Å; T87-L89 VanDerWaalsContact C-N 3.29Å; T87-L89 PolarHBondContact O-N 3.05Å; L89-F91 VanDerWaalsContact C-N 3.26Å; L89-F91 PolarHBondContact O-N 3.24Å; L89-W92 PolarHBondContact O-N 3.43Å; L89-R93 HydrophobicContact CD1-CG 4.1Å; L89-R93 HydrophobicContact CG-CG 4.38Å; L89-R93 VanDerWaalsContact O-CG 3.29Å; L89-R93 WeakPolarHBondContact O-CG 3.42Å; L89-R93 PolarHBondContact O-N 2.85Å; L89-F133 HydrophobicContact CD1-CD2 3.81Å; L89-F133 HydrophobicContact CD1-CE2 3.84Å |
| 90 | D | 98.9 | Very high | 98.7 | Very high | 7 Ų | 7 | 21 Ų | 21 | 4% | 0.037 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -60.6 | -37.5 | 178.1 | -66.4 | -32.7 | 0 | 0 | 0 | 111.7 | K35 L51 I63 T87 R93 L94 | K35-D90 IonicContact NZ-OD1 2.73Å; K35-D90 IonicContact NZ-OD2 3.32Å; K35-D90 PolarHBondContact NZ-OD2 3.36Å; L51-D90 HydrophobicContact CD1-CB 4.12Å; I63-D90 HydrophobicContact CB-CB 4.46Å; I63-D90 HydrophobicContact CD1-CB 4.1Å; I63-D90 WeakPolarHBondContact CD1-O 3.46Å; I63-D90 HydrophobicContact CG1-CB 4.49Å; T87-D90 PolarHBondContact O-N 3.08Å; D90-R93 PolarHBondContact O-N 3.42Å; D90-R93 IonicContact OD1-CZ 2.97Å; D90-R93 IonicContact OD1-NH1 3.87Å; D90-R93 PolarHBondContact OD1-NH1 2.84Å; D90-L94 PolarHBondContact O-N 2.96Å |
| 91 | F | 98.9 | Very high | 98.7 | Very high | 1 Ų | 1 | 25.5 Ų | 25.5 | 0% | 0.004 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -63.9 | -44.4 | 175.7 | -177.9 | -92.7 | 0 | 0 | 0 | 112.2 | T80 P83 T87 L88 L89 L94 V95 I103 Y120 | T80-F91 HydrophobicContact CG2-CD2 4.41Å; T80-F91 HydrophobicContact CG2-CE2 4.04Å; P83-F91 HydrophobicContact CB-CB 4.06Å; P83-F91 HydrophobicContact CB-CD2 4.41Å; P83-F91 HydrophobicContact CB-CG 4.3Å; P83-F91 HydrophobicContact CG-CB 4.41Å; P83-F91 HydrophobicContact CG-CD2 4.16Å; P83-F91 HydrophobicContact CG-CG 4.15Å; T87-F91 PolarHBondContact O-N 2.92Å; L88-F91 PolarHBondContact O-N 3.4Å; L89-F91 VanDerWaalsContact C-N 3.26Å; L89-F91 PolarHBondContact O-N 3.24Å; F91-L94 WeakPolarHBondContact O-CB 3Å; F91-L94 PolarHBondContact O-N 2.67Å; F91-V95 HydrophobicContact CD1-CG2 4.25Å; F91-V95 HydrophobicContact CE1-CG2 3.87Å; F91-V95 HydrophobicContact CZ-CG2 4.19Å; F91-V95 WeakPolarHBondContact O-CG2 3.38Å; F91-V95 PolarHBondContact O-N 3.26Å; F91-I103 HydrophobicContact CE1-CD1 4.1Å; F91-I103 HydrophobicContact CZ-CD1 4.1Å; F91-I103 HydrophobicContact CZ-CG2 4.32Å; F91-Y120 HydrophobicContact CD1-CD2 4.17Å; F91-Y120 HydrophobicContact CD1-CG 4.1Å; F91-Y120 HydrophobicContact CE1-CD1 4.24Å; F91-Y120 AromaticContact CE1-CD2 3.45Å; F91-Y120 HydrophobicContact CE1-CD2 3.45Å; F91-Y120 VanDerWaalsContact CE1-CD2 3.45Å; F91-Y120 HydrophobicContact CE1-CE1 4.44Å; F91-Y120 AromaticContact CE1-CE2 3.73Å; F91-Y120 HydrophobicContact CE1-CE2 3.73Å; F91-Y120 AromaticContact CE1-CG 3.73Å; F91-Y120 HydrophobicContact CE1-CG 3.73Å; F91-Y120 HydrophobicContact CZ-CD1 4.4Å; F91-Y120 HydrophobicContact CZ-CD2 4.09Å; F91-Y120 HydrophobicContact CZ-CE1 4.23Å; F91-Y120 AromaticContact CZ-CE2 3.94Å; F91-Y120 HydrophobicContact CZ-CE2 3.94Å; F91-Y120 HydrophobicContact CZ-CG 4.31Å; F91-Y120 AromaticContact CZ-CZ 3.99Å |
| 92 | W | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -73.2 | -30.5 | 177.7 | -76.5 | 114.6 | 0 | 0 | 0 | 113.1 | L88 L89 L94 V95 W96 Y120 A130 F133 I135 L152 V154 | L88-W92 PolarHBondContact O-N 2.96Å; L88-W92 VanDerWaalsContact O-N 3.11Å; L89-W92 PolarHBondContact O-N 3.43Å; W92-L94 VanDerWaalsContact C-N 3.34Å; W92-V95 HydrophobicContact CE3-CB 3.93Å; W92-V95 HydrophobicContact CE3-CG1 3.9Å; W92-V95 HydrophobicContact CE3-CG2 4.32Å; W92-V95 HydrophobicContact CZ3-CB 4.19Å; W92-V95 HydrophobicContact CZ3-CG1 3.71Å; W92-V95 HydrophobicContact CZ3-CG2 4.42Å; W92-V95 PolarHBondContact O-N 3.2Å; W92-W96 WeakPolarHBondContact O-CB 3.2Å; W92-W96 PolarHBondContact O-N 3.15Å; W92-Y120 AromaticContact CZ2-CD2 3.88Å; W92-Y120 HydrophobicContact CZ2-CD2 3.88Å; W92-Y120 WeakPolarHBondContact CZ2-O 3.35Å; W92-Y120 PolarHBondContact NE1-O 3.36Å; W92-Y120 VanDerWaalsContact NE1-O 3.15Å; W92-A130 HydrophobicContact CG-CB 4.39Å; W92-F133 HydrophobicContact CB-CB 4.31Å; W92-F133 HydrophobicContact CB-CD1 4.34Å; W92-F133 HydrophobicContact CB-CD2 3.75Å; W92-F133 HydrophobicContact CB-CE2 4.15Å; W92-F133 HydrophobicContact CB-CG 3.87Å; W92-I135 HydrophobicContact CD2-CD1 3.92Å; W92-I135 HydrophobicContact CD2-CG1 4.04Å; W92-I135 HydrophobicContact CE3-CG1 4.39Å; W92-I135 HydrophobicContact CG-CD1 4.08Å; W92-I135 HydrophobicContact CH2-CG1 4Å; W92-I135 HydrophobicContact CH2-CG2 4.27Å; W92-I135 HydrophobicContact CZ2-CB 4.39Å; W92-I135 HydrophobicContact CZ2-CD1 4.13Å; W92-I135 HydrophobicContact CZ2-CG1 3.6Å; W92-I135 HydrophobicContact CZ2-CG2 4.04Å; W92-I135 HydrophobicContact CZ3-CG1 4.37Å; W92-L152 HydrophobicContact CH2-CD1 4.11Å; W92-V154 HydrophobicContact CE3-CG1 4.1Å; W92-V154 HydrophobicContact CE3-CG2 4.13Å; W92-V154 HydrophobicContact CH2-CG2 3.85Å; W92-V154 HydrophobicContact CZ3-CB 4.47Å; W92-V154 HydrophobicContact CZ3-CG1 4.23Å; W92-V154 HydrophobicContact CZ3-CG2 3.41Å; W92-V154 VanDerWaalsContact CZ3-CG2 3.41Å |
| 93 | R | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -57.7 | -48 | 167.4 | -72.2 | 167.5 | 65.8 | -146.3 | 3.5 | 110.7 | L51 L53 L54 G60 L89 D90 W96 E97 F133 | L51-R93 HydrophobicContact CD1-CB 4.19Å; L51-R93 HydrophobicContact CD2-CB 4.45Å; L53-R93 HydrophobicContact CD2-CB 4.48Å; L53-R93 PolarHBondContact O-NE 3.03Å; L53-R93 PolarHBondContact O-NH2 2.88Å; L54-R93 HydrophobicContact CD1-CG 4.08Å; G60-R93 PolarHBondContact O-NH1 2.93Å; G60-R93 PolarHBondContact O-NH2 2.92Å; L89-R93 HydrophobicContact CD1-CG 4.1Å; L89-R93 HydrophobicContact CG-CG 4.38Å; L89-R93 VanDerWaalsContact O-CG 3.29Å; L89-R93 WeakPolarHBondContact O-CG 3.42Å; L89-R93 PolarHBondContact O-N 2.85Å; D90-R93 PolarHBondContact O-N 3.42Å; D90-R93 IonicContact OD1-CZ 2.97Å; D90-R93 IonicContact OD1-NH1 3.87Å; D90-R93 PolarHBondContact OD1-NH1 2.84Å; R93-W96 PolarHBondContact O-N 2.85Å; R93-E97 WeakPolarHBondContact O-CB 3.46Å; R93-E97 PolarHBondContact O-N 3.27Å; R93-F133 HydrophobicContact CG-CE2 4Å; R93-F133 HydrophobicContact CG-CZ 4.47Å |
| 94 | L | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -58 | -51.1 | 176 | -179.7 | 152.4 | 0 | 0 | 0 | 112 | V49 L51 I63 A65 I78 D90 F91 W92 W96 F98 V100 | V49-L94 HydrophobicContact CB-CD1 4.3Å; V49-L94 HydrophobicContact CG1-CD1 3.95Å; V49-L94 HydrophobicContact CG1-CG 4.33Å; V49-L94 HydrophobicContact CG2-CD1 4.28Å; L51-L94 HydrophobicContact CD2-CB 3.86Å; I63-L94 HydrophobicContact CD1-CB 4.15Å; I63-L94 HydrophobicContact CD1-CD1 3.78Å; I63-L94 HydrophobicContact CG1-CD1 4.47Å; I63-L94 HydrophobicContact CG2-CD1 3.96Å; A65-L94 HydrophobicContact CB-CD1 3.87Å; I78-L94 HydrophobicContact CD1-CD2 3.78Å; I78-L94 HydrophobicContact CD1-CG 4.12Å; I78-L94 HydrophobicContact CG2-CD1 3.82Å; I78-L94 HydrophobicContact CG2-CD2 4.04Å; I78-L94 HydrophobicContact CG2-CG 4.4Å; D90-L94 PolarHBondContact O-N 2.96Å; F91-L94 WeakPolarHBondContact O-CB 3Å; F91-L94 PolarHBondContact O-N 2.67Å; W92-L94 VanDerWaalsContact C-N 3.34Å; L94-W96 VanDerWaalsContact C-N 3.28Å; L94-W96 PolarHBondContact O-N 3.41Å; L94-F98 HydrophobicContact CG-CD2 4.22Å; L94-F98 WeakPolarHBondContact O-CD2 3.14Å; L94-F98 PolarHBondContact O-N 2.73Å; L94-V100 HydrophobicContact CD2-CG2 4.48Å |
| 95 | V | 98.9 | Very high | 98.7 | Very high | 4 Ų | 4 | 24.2 Ų | 24.2 | 2% | 0.024 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -60.6 | -41.6 | -177.8 | 168.7 | 0 | 0 | 0 | 0 | 110.9 | F91 W92 G99 V100 I103 V163 | F91-V95 HydrophobicContact CD1-CG2 4.25Å; F91-V95 HydrophobicContact CE1-CG2 3.87Å; F91-V95 HydrophobicContact CZ-CG2 4.19Å; F91-V95 WeakPolarHBondContact O-CG2 3.38Å; F91-V95 PolarHBondContact O-N 3.26Å; W92-V95 HydrophobicContact CE3-CB 3.93Å; W92-V95 HydrophobicContact CE3-CG1 3.9Å; W92-V95 HydrophobicContact CE3-CG2 4.32Å; W92-V95 HydrophobicContact CZ3-CB 4.19Å; W92-V95 HydrophobicContact CZ3-CG1 3.71Å; W92-V95 HydrophobicContact CZ3-CG2 4.42Å; W92-V95 PolarHBondContact O-N 3.2Å; V95-G99 PolarHBondContact O-N 3.25Å; V95-V100 HydrophobicContact CB-CB 4.39Å; V95-V100 HydrophobicContact CG1-CB 4.04Å; V95-V100 HydrophobicContact CG1-CG1 4.36Å; V95-V100 PolarHBondContact O-N 3Å; V95-I103 HydrophobicContact CG2-CD1 4Å; V95-V163 HydrophobicContact CG1-CG1 4.36Å; V95-V163 HydrophobicContact CG1-CG2 4.08Å |
| 96 | W | 98.7 | Very high | 98.7 | Very high | 18 Ų | 18 | 20.5 Ų | 20.5 | 7% | 0.068 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -72.3 | -50 | -179.6 | -168.6 | -89.1 | 0 | 0 | 0 | 113.2 | L53 W92 R93 L94 F98 G99 F133 V154 F156 E159 R161 | L53-W96 HydrophobicContact CD2-CB 3.95Å; L53-W96 HydrophobicContact CD2-CG 4.04Å; W92-W96 WeakPolarHBondContact O-CB 3.2Å; W92-W96 PolarHBondContact O-N 3.15Å; R93-W96 PolarHBondContact O-N 2.85Å; L94-W96 VanDerWaalsContact C-N 3.28Å; L94-W96 PolarHBondContact O-N 3.41Å; W96-F98 VanDerWaalsContact C-N 3.34Å; W96-F98 PolarHBondContact O-N 2.97Å; W96-G99 PolarHBondContact O-N 3.01Å; W96-F133 HydrophobicContact CB-CE1 3.6Å; W96-F133 HydrophobicContact CB-CZ 3.93Å; W96-F133 AromaticContact CD2-CE1 3.89Å; W96-F133 HydrophobicContact CD2-CE1 3.89Å; W96-F133 HydrophobicContact CE3-CD1 4.41Å; W96-F133 HydrophobicContact CE3-CE1 4.02Å; W96-F133 AromaticContact CG-CE1 3.72Å; W96-F133 HydrophobicContact CG-CE1 3.72Å; W96-F133 HydrophobicContact CG-CZ 4.25Å; W96-V154 HydrophobicContact CE3-CG1 3.98Å; W96-V154 HydrophobicContact CZ3-CB 4.39Å; W96-V154 HydrophobicContact CZ3-CG1 4.08Å; W96-F156 AromaticContact CD1-CD1 3.97Å; W96-F156 HydrophobicContact CD2-CB 4.05Å; W96-F156 HydrophobicContact CD2-CD1 4.08Å; W96-F156 HydrophobicContact CD2-CG 4.37Å; W96-F156 AromaticContact CE2-CD1 3.48Å; W96-F156 VanDerWaalsContact CE2-CD1 3.48Å; W96-F156 HydrophobicContact CE3-CB 4.01Å; W96-F156 HydrophobicContact CG-CD1 4.36Å; W96-F156 HydrophobicContact CH2-CB 3.78Å; W96-F156 HydrophobicContact CZ2-CB 3.82Å; W96-F156 AromaticContact CZ2-CD1 3.78Å; W96-F156 HydrophobicContact CZ2-CD1 3.78Å; W96-F156 HydrophobicContact CZ2-CG 4.3Å; W96-F156 HydrophobicContact CZ3-CB 3.88Å; W96-F156 AromaticContact NE1-CD1 3.39Å; W96-F156 AromaticContact NE1-CE1 3.88Å; W96-E159 HydrophobicContact CH2-CB 3.79Å; W96-E159 HydrophobicContact CZ2-CB 3.81Å; W96-R161 VanDerWaalsContact CE2-CZ 3.45Å; W96-R161 HydrophobicContact CE3-CG 4.46Å; W96-R161 HydrophobicContact CH2-CG 3.8Å; W96-R161 HydrophobicContact CZ3-CB 4.11Å; W96-R161 HydrophobicContact CZ3-CG 3.76Å; W96-R161 PolarHBondContact O-NH1 3.01Å |
| 97 | E | 98.6 | Very high | 98.6 | Very high | 51 Ų | 51 | 15.6 Ų | 15.6 | 24% | 0.238 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -60.8 | -43 | -175.1 | -174.8 | 173.2 | 152 | 0 | 0 | 111.8 | L51 S52 L53 R93 G99 | L51-E97 WeakPolarHBondContact CA-OE2 3.11Å; S52-E97 VanDerWaalsContact N-CD 3.31Å; S52-E97 PolarHBondContact N-OE1 3.33Å; S52-E97 PolarHBondContact N-OE2 3.26Å; S52-E97 PolarHBondContact OG-OE1 2.76Å; S52-E97 VanDerWaalsContact OG-OE1 3.09Å; L53-E97 HydrophobicContact CB-CB 4.15Å; L53-E97 HydrophobicContact CB-CG 4.31Å; L53-E97 WeakPolarHBondContact CB-OE2 3.42Å; L53-E97 HydrophobicContact CD2-CB 4.39Å; L53-E97 PolarHBondContact N-OE2 2.84Å; R93-E97 WeakPolarHBondContact O-CB 3.46Å; R93-E97 PolarHBondContact O-N 3.27Å; E97-G99 VanDerWaalsContact C-N 3.33Å; E97-G99 PolarHBondContact O-N 2.55Å |
| 98 | F | 98.5 | Very high | 98.4 | Very high | 49 Ų | 49 | 19.4 Ų | 19.4 | 22% | 0.215 | 10% | 0.098 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.4 | 7.7 | -178.8 | -62.2 | -72.6 | 0 | 0 | 0 | 113.7 | V49 I50 L51 F67 I78 L94 W96 V100 P200 | V49-F98 HydrophobicContact CG1-CD2 3.99Å; V49-F98 HydrophobicContact CG1-CE2 3.22Å; V49-F98 HydrophobicContact CG1-CZ 3.7Å; I50-F98 WeakPolarHBondContact O-CZ 3.35Å; L51-F98 HydrophobicContact CD2-CE2 4.07Å; F67-F98 HydrophobicContact CE1-CD1 4.25Å; F67-F98 HydrophobicContact CE1-CE1 4.45Å; F67-F98 HydrophobicContact CE2-CE1 4.37Å; F67-F98 HydrophobicContact CE2-CZ 4.47Å; F67-F98 AromaticContact CZ-CD1 3.77Å; F67-F98 HydrophobicContact CZ-CD1 3.77Å; F67-F98 AromaticContact CZ-CE1 3.55Å; F67-F98 HydrophobicContact CZ-CE1 3.55Å; F67-F98 HydrophobicContact CZ-CE2 4.36Å; F67-F98 HydrophobicContact CZ-CG 4.29Å; F67-F98 AromaticContact CZ-CZ 3.87Å; F67-F98 HydrophobicContact CZ-CZ 3.87Å; I78-F98 HydrophobicContact CD1-CB 3.93Å; I78-F98 HydrophobicContact CD1-CD2 4Å; I78-F98 HydrophobicContact CD1-CG 3.99Å; L94-F98 HydrophobicContact CG-CD2 4.22Å; L94-F98 WeakPolarHBondContact O-CD2 3.14Å; L94-F98 PolarHBondContact O-N 2.73Å; W96-F98 VanDerWaalsContact C-N 3.34Å; W96-F98 PolarHBondContact O-N 2.97Å; F98-V100 VanDerWaalsContact C-N 3.25Å; F98-V100 HydrophobicContact CB-CG2 4.39Å; F98-V100 PolarHBondContact O-N 2.95Å; F98-P200 HydrophobicContact CB-CG 4.11Å; F98-P200 WeakPolarHBondContact O-CD 3.27Å |
| 99 | G | 97.9 | Very high | 98.3 | Very high | 30 Ų | 30 | 20.7 Ų | 20.7 | 31% | 0.309 | 10% | 0.104 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59 | 36.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | V95 W96 E97 K101 | V95-G99 PolarHBondContact O-N 3.25Å; W96-G99 PolarHBondContact O-N 3.01Å; E97-G99 VanDerWaalsContact C-N 3.33Å; E97-G99 PolarHBondContact O-N 2.55Å; G99-K101 PolarHBondContact O-N 3.39Å |
| 100 | V | 98.7 | Very high | 98.2 | Very high | 5 Ų | 5 | 22.4 Ų | 22.4 | 3% | 0.03 | 12% | 0.116 | C | C | . | . | trans | -64 | 123.7 | 179.8 | 169.2 | 0 | 0 | 0 | 0 | 109.3 | I78 L94 V95 F98 V102 I103 P200 C202 | I78-V100 HydrophobicContact CD1-CG2 4.31Å; L94-V100 HydrophobicContact CD2-CG2 4.48Å; V95-V100 HydrophobicContact CB-CB 4.39Å; V95-V100 HydrophobicContact CG1-CB 4.04Å; V95-V100 HydrophobicContact CG1-CG1 4.36Å; V95-V100 PolarHBondContact O-N 3Å; F98-V100 VanDerWaalsContact C-N 3.25Å; F98-V100 HydrophobicContact CB-CG2 4.39Å; F98-V100 PolarHBondContact O-N 2.95Å; V100-V102 WeakPolarHBondContact CG1-O 3.3Å; V100-I103 HydrophobicContact CG1-CG1 4.01Å; V100-P200 HydrophobicContact CG2-CG 4.14Å; V100-C202 HydrophobicContact CB-CB 4.46Å; V100-C202 HydrophobicContact CG1-CB 3.53Å; V100-C202 HydrophobicContact CG2-CB 4.1Å | ||
| 101 | K | 98.5 | Very high | 97.9 | Very high | 94 Ų | 94 | 22.9 Ų | 22.9 | 41% | 0.409 | 12% | 0.117 | S | C | . | . | trans | -97.1 | -29.6 | 174.8 | -66 | -176.6 | -178.6 | -178.6 | 0 | 113.1 | G99 V163 H164 | G99-K101 PolarHBondContact O-N 3.39Å; K101-V163 CarbonylContact O-C 3.55Å; K101-V163 WeakPolarHBondContact O-CA 3.26Å; K101-H164 PolarHBondContact O-N 3.29Å | ||
| 102 | V | 98.9 | Very high | 97.5 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 128.2 | -173.6 | -175.3 | 0 | 0 | 0 | 0 | 110.6 | V100 H164 L166 A190 L193 Q194 L201 C202 | V100-V102 WeakPolarHBondContact CG1-O 3.3Å; V102-H164 CarbonylContact C-O 3.58Å; V102-H164 VanDerWaalsContact CA-O 3.32Å; V102-H164 WeakPolarHBondContact CA-O 3.44Å; V102-L166 HydrophobicContact CG1-CD1 4.2Å; V102-A190 HydrophobicContact CG1-CB 3.88Å; V102-L193 HydrophobicContact CG2-CB 3.78Å; V102-Q194 HydrophobicContact CG2-CB 4.12Å; V102-L201 HydrophobicContact CB-CD2 3.74Å; V102-L201 HydrophobicContact CG1-CD2 4.15Å; V102-L201 HydrophobicContact CG2-CD2 4.42Å; V102-C202 PolarHBondContact O-N 3.27Å |
| 103 | I | 98.9 | Very high | 97.1 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 125.3 | 174.8 | -56.1 | 171.1 | 0 | 0 | 0 | 108.7 | F91 V95 V100 Y120 V163 H164 Q165 L166 C202 | F91-I103 HydrophobicContact CE1-CD1 4.1Å; F91-I103 HydrophobicContact CZ-CD1 4.1Å; F91-I103 HydrophobicContact CZ-CG2 4.32Å; V95-I103 HydrophobicContact CG2-CD1 4Å; V100-I103 HydrophobicContact CG1-CG1 4.01Å; I103-Y120 HydrophobicContact CD1-CE2 4.12Å; I103-Y120 HydrophobicContact CG2-CE2 4.4Å; I103-Y120 WeakPolarHBondContact CG2-OH 3.4Å; I103-V163 HydrophobicContact CD1-CG1 3.66Å; I103-V163 HydrophobicContact CG1-CG1 3.92Å; I103-H164 PolarHBondContact N-O 2.6Å; I103-Q165 HydrophobicContact CB-CB 4.38Å; I103-Q165 HydrophobicContact CB-CG 4.21Å; I103-Q165 HydrophobicContact CG2-CG 4.3Å; I103-Q165 CarbonylContact O-C 3.6Å; I103-Q165 WeakPolarHBondContact O-CA 3.35Å; I103-L166 PolarHBondContact O-N 3.26Å; I103-C202 CarbonylContact C-O 3.54Å; I103-C202 VanDerWaalsContact CA-O 3.28Å; I103-C202 WeakPolarHBondContact CA-O 3.34Å; I103-C202 HydrophobicContact CG1-CB 4.16Å |
| 104 | L | 98.9 | Very high | 96.9 | Very high | 3 Ų | 3 | 42.3 Ų | 42.3 | 2% | 0.016 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 110.7 | 173.4 | -73.9 | 160.9 | 0 | 0 | 0 | 108.9 | L166 M186 A190 L201 C202 V203 H204 L215 | L104-L166 HydrophobicContact CD2-CB 4.08Å; L104-L166 HydrophobicContact CD2-CD1 4.05Å; L104-M186 HydrophobicContact CB-CE 4.45Å; L104-M186 HydrophobicContact CD2-CE 3.64Å; L104-M186 HydrophobicContact CD2-CG 3.68Å; L104-M186 HydrophobicContact CD2-SD 3.85Å; L104-A190 HydrophobicContact CD1-CB 4.15Å; L104-A190 HydrophobicContact CD2-CB 3.86Å; L104-A190 HydrophobicContact CG-CB 4.2Å; L104-L201 HydrophobicContact CD1-CD1 4.26Å; L104-C202 PolarHBondContact N-O 3.46Å; L104-V203 HydrophobicContact CB-CB 4.42Å; L104-V203 HydrophobicContact CB-CG1 4Å; L104-V203 HydrophobicContact CB-CG2 4.31Å; L104-V203 HydrophobicContact CD1-CG2 3.94Å; L104-V203 WeakPolarHBondContact O-CA 3.46Å; L104-H204 PolarHBondContact O-N 3.43Å; L104-L215 HydrophobicContact CB-CD1 4.22Å |
| 105 | M | 98.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 114.8 | 178.6 | 178.2 | 168.3 | -178.3 | 0 | 0 | 110.7 | C107 C117 Y120 W121 Q165 L166 Q167 Y168 H204 | M105-C107 WeakPolarHBondContact CE-O 3.37Å; M105-C117 HydrophobicContact CE-CB 3.77Å; M105-Y120 HydrophobicContact SD-CE1 3.94Å; M105-W121 HydrophobicContact CE-CH2 3.75Å; M105-W121 HydrophobicContact CE-CZ3 3.72Å; M105-W121 HydrophobicContact SD-CE3 4.33Å; M105-W121 HydrophobicContact SD-CH2 3.86Å; M105-W121 HydrophobicContact SD-CZ3 3.47Å; M105-W121 WeakPolarHBondContact SD-CZ3 3.48Å; M105-Q165 PolarHBondContact SD-NE2 2.8Å; M105-Q165 VanDerWaalsContact SD-NE2 3.43Å; M105-L166 PolarHBondContact N-O 3.45Å; M105-Q167 HydrophobicContact CB-CB 4.25Å; M105-Q167 HydrophobicContact CB-CG 4.11Å; M105-Q167 HydrophobicContact CG-CG 3.89Å; M105-Q167 CarbonylContact O-C 3.48Å; M105-Q167 WeakPolarHBondContact O-CA 3.47Å; M105-Q167 HydrophobicContact SD-CG 4.02Å; M105-Y168 PolarHBondContact O-N 2.64Å; M105-H204 WeakPolarHBondContact CB-NE2 3.37Å; M105-H204 WeakPolarHBondContact CG-CE1 3.46Å |
| 106 | A | 97.8 | Very high | 96.7 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 26% | 0.257 | C | S | . | . | trans | -107.2 | 33.5 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | W171 H204 C205 R211 L215 | A106-W171 HydrophobicContact CB-CE3 3.92Å; A106-W171 HydrophobicContact CB-CZ3 4.18Å; A106-H204 PolarHBondContact N-O 3.09Å; A106-C205 HydrophobicContact CB-CB 4.17Å; A106-R211 HydrophobicContact CB-CB 3.84Å; A106-R211 VanDerWaalsContact O-CD 3.22Å; A106-R211 WeakPolarHBondContact O-CD 3.37Å; A106-R211 PolarHBondContact O-NE 2.78Å; A106-R211 PolarHBondContact O-NH1 2.87Å; A106-L215 HydrophobicContact CB-CD1 3.81Å | ||
| 107 | C | 96.3 | Very high | 96.7 | Very high | 1 Ų | 1 | 49.7 Ų | 49.7 | 1% | 0.007 | 25% | 0.254 | C | S | . | . | S | Bend | trans | -150.5 | 163.4 | 174.5 | 66.7 | 0 | 0 | 0 | 0 | 111.4 | M105 E111 Q167 C205 R211 | M105-C107 WeakPolarHBondContact CE-O 3.37Å; C107-E111 WeakPolarHBondContact CA-OE1 3.35Å; C107-E111 VanDerWaalsContact CB-OE1 3.27Å; C107-E111 WeakPolarHBondContact CB-OE1 3.45Å; C107-Q167 PolarHBondContact O-NE2 2.71Å; C107-Q167 VanDerWaalsContact O-NE2 3.08Å; C107-C205 HydrophobicContact CB-CB 4.32Å; C107-C205 PolarHBondContact SG-O 3.24Å; C107-C205 VanDerWaalsContact SG-O 3.41Å; C107-R211 VanDerWaalsContact CB-NH1 3.31Å |
| 108 | Q | 95.8 | Very high | 96.7 | Very high | 84 Ų | 84 | 49 Ų | 49 | 39% | 0.393 | 25% | 0.251 | S | S | . | . | trans | -84.2 | 168 | 165.9 | -63 | -172.9 | 39 | 0 | 0 | 111 | T110 E111 K116 M169 | Q108-T110 VanDerWaalsContact C-N 3.28Å; Q108-T110 PolarHBondContact O-N 2.97Å; Q108-E111 HydrophobicContact CB-CG 4.03Å; Q108-E111 PolarHBondContact N-OE1 2.84Å; Q108-K116 WeakPolarHBondContact O-CB 3.47Å; Q108-M169 WeakPolarHBondContact CG-O 3.47Å; Q108-M169 PolarHBondContact NE2-O 3.18Å | ||
| 109 | E | 96.4 | Very high | 96.7 | Very high | 56 Ų | 56 | 48.7 Ų | 48.7 | 26% | 0.262 | 25% | 0.248 | S | C | . | . | S | Bend | trans | -61.9 | -40 | 172.3 | -65 | -178.7 | -133.2 | 0 | 0 | 111 | R115 K116 C117 W121 R123 | E109-R115 CarbonylContact O-C 3.53Å; E109-K116 PolarHBondContact O-N 2.77Å; E109-C117 WeakPolarHBondContact CA-O 3.49Å; E109-C117 PolarHBondContact O-N 3.46Å; E109-W121 HydrophobicContact CG-CH2 3.73Å; E109-W121 HydrophobicContact CG-CZ2 4.22Å; E109-W121 WeakPolarHBondContact OE1-CZ2 3.5Å; E109-R123 IonicContact OE1-NH2 3.76Å |
| 110 | T | 95.7 | Very high | 96.7 | Very high | 68 Ų | 68 | 47.2 Ų | 47.2 | 42% | 0.417 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 132.2 | 178.8 | -62.6 | 0 | 0 | 0 | 0 | 110 | Q108 R114 | Q108-T110 VanDerWaalsContact C-N 3.28Å; Q108-T110 PolarHBondContact O-N 2.97Å; T110-R114 WeakPolarHBondContact CA-O 3.47Å |
| 111 | E | 93.4 | Very high | 96.7 | Very high | 16 Ų | 16 | 47.2 Ų | 47.2 | 8% | 0.075 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 131.6 | 176.3 | -63 | 170.3 | 172.3 | 0 | 0 | 108.1 | C107 Q108 G113 R114 K116 D173 R211 | C107-E111 WeakPolarHBondContact CA-OE1 3.35Å; C107-E111 VanDerWaalsContact CB-OE1 3.27Å; C107-E111 WeakPolarHBondContact CB-OE1 3.45Å; Q108-E111 HydrophobicContact CB-CG 4.03Å; Q108-E111 PolarHBondContact N-OE1 2.84Å; E111-G113 PolarHBondContact O-N 2.87Å; E111-R114 PolarHBondContact N-O 3.47Å; E111-R114 PolarHBondContact O-N 3.14Å; E111-K116 HydrophobicContact CB-CD 4.5Å; E111-K116 HydrophobicContact CB-CG 3.78Å; E111-K116 HydrophobicContact CG-CG 3.83Å; E111-K116 WeakPolarHBondContact OE2-CG 3.48Å; E111-D173 WeakPolarHBondContact OE2-CB 3.46Å; E111-R211 IonicContact OE1-CZ 3.97Å; E111-R211 IonicContact OE1-NH1 3.45Å; E111-R211 PolarHBondContact OE1-NH1 3.26Å; E111-R211 IonicContact OE1-NH2 3.26Å; E111-R211 PolarHBondContact OE1-NH2 2.83Å; E111-R211 IonicContact OE2-CZ 3.86Å; E111-R211 IonicContact OE2-NH1 3.6Å; E111-R211 IonicContact OE2-NH2 2.73Å; E111-R211 PolarHBondContact OE2-NH2 3.3Å |
| 112 | N | 89.9 | Confident | 96.7 | Very high | 148 Ų | 148 | 42.7 Ų | 42.7 | 79% | 0.791 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 49.6 | 42.5 | -178.9 | -59.5 | -32 | 0 | 0 | 0 | 113.1 | R114 | N112-R114 PolarHBondContact O-N 3.34Š|
| 113 | G | 91.8 | Very high | 96.7 | Very high | 76 Ų | 76 | 48.3 Ų | 48.3 | 78% | 0.784 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 72.4 | 5.3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | E111 | E111-G113 PolarHBondContact O-N 2.87Š|
| 114 | R | 93.8 | Very high | 96.5 | Very high | 185 Ų | 185 | 55.7 Ų | 55.7 | 70% | 0.698 | 27% | 0.268 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 133.6 | 179.6 | -63.2 | -177.8 | 180 | 180 | 0.4 | 111 | T110 E111 N112 K116 | T110-R114 WeakPolarHBondContact CA-O 3.47Å; E111-R114 PolarHBondContact N-O 3.47Å; E111-R114 PolarHBondContact O-N 3.14Å; N112-R114 PolarHBondContact O-N 3.34Å; R114-K116 PolarHBondContact O-N 3.33Å |
| 115 | R | 96.4 | Very high | 96.2 | Very high | 161 Ų | 161 | 64.3 Ų | 64.3 | 61% | 0.608 | 31% | 0.309 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -64.8 | 124 | 172.2 | -72.2 | -159.3 | -171.6 | -145 | 1.6 | 110.7 | R37 E109 E118 | R37-R115 PolarHBondContact NH1-O 3.5Å; E109-R115 CarbonylContact O-C 3.53Å; R115-E118 IonicContact NH1-OE1 3.7Å; R115-E118 PolarHBondContact NH1-OE1 2.95Å; R115-E118 IonicContact NH1-OE2 3.5Å; R115-E118 PolarHBondContact NH1-OE2 3.16Å |
| 116 | K | 97.3 | Very high | 96.1 | Very high | 16 Ų | 16 | 68.3 Ų | 68.3 | 7% | 0.07 | 33% | 0.327 | C | S | . | . | trans | -108.4 | -30.7 | -178.1 | -68.9 | -67.1 | -179.3 | 171.5 | 0 | 113.1 | R37 Q108 E109 E111 R114 D173 S206 | R37-K116 PolarHBondContact NE-O 3.42Å; R37-K116 VanDerWaalsContact NE-O 3.15Å; Q108-K116 WeakPolarHBondContact O-CB 3.47Å; E109-K116 PolarHBondContact O-N 2.77Å; E111-K116 HydrophobicContact CB-CD 4.5Å; E111-K116 HydrophobicContact CB-CG 3.78Å; E111-K116 HydrophobicContact CG-CG 3.83Å; E111-K116 WeakPolarHBondContact OE2-CG 3.48Å; R114-K116 PolarHBondContact O-N 3.33Å; K116-D173 WeakPolarHBondContact CE-OD2 3.21Å; K116-D173 IonicContact NZ-OD1 3.51Å; K116-D173 IonicContact NZ-OD2 2.8Å; K116-D173 PolarHBondContact NZ-OD2 3.32Å; K116-S206 WeakPolarHBondContact CA-OG 3.22Å; K116-S206 WeakPolarHBondContact CD-OG 3.47Å; K116-S206 WeakPolarHBondContact O-CA 3.43Å; K116-S206 WeakPolarHBondContact O-CB 3.29Å; K116-S206 PolarHBondContact O-OG 2.8Å | ||
| 117 | C | 98.4 | Very high | 96.1 | Very high | 1 Ų | 1 | 71.9 Ų | 71.9 | 1% | 0.007 | 35% | 0.351 | C | S | . | . | trans | -151.8 | 137.6 | -179.8 | -172.5 | 0 | 0 | 0 | 0 | 108.3 | P83 M105 E109 | P83-C117 VanDerWaalsContact CD-SG 3.58Å; M105-C117 HydrophobicContact CE-CB 3.77Å; E109-C117 WeakPolarHBondContact CA-O 3.49Å; E109-C117 PolarHBondContact O-N 3.46Å | ||
| 118 | E | 98.6 | Very high | 96.2 | Very high | 37 Ų | 37 | 72.8 Ų | 72.8 | 17% | 0.173 | 36% | 0.355 | C | S | . | . | trans | -76.9 | 142.6 | 165.9 | -162.7 | 60.2 | -153.5 | 0 | 0 | 109 | P83 P85 L88 R115 Y120 | P83-E118 VanDerWaalsContact O-CB 3.27Å; P83-E118 WeakPolarHBondContact O-CB 3.16Å; P83-E118 PolarHBondContact O-N 2.91Å; P85-E118 HydrophobicContact CG-CG 4.17Å; L88-E118 HydrophobicContact CD1-CG 4.09Å; L88-E118 HydrophobicContact CD2-CB 4.33Å; L88-E118 HydrophobicContact CD2-CG 4.37Å; L88-E118 HydrophobicContact CG-CG 4.41Å; R115-E118 IonicContact NH1-OE1 3.7Å; R115-E118 PolarHBondContact NH1-OE1 2.95Å; R115-E118 IonicContact NH1-OE2 3.5Å; R115-E118 PolarHBondContact NH1-OE2 3.16Å; E118-Y120 PolarHBondContact O-N 3.4Å | ||
| 119 | R | 98.6 | Very high | 96.3 | Very high | 41 Ų | 41 | 77 Ų | 77 | 16% | 0.155 | 37% | 0.372 | C | S | . | . | trans | -65.1 | 118.2 | 174 | -179.6 | 172.6 | 61 | 90.4 | -8.6 | 109.5 | W121 E126 L128 | R119-W121 HydrophobicContact CB-CH2 4.43Å; R119-W121 HydrophobicContact CB-CZ3 4.49Å; R119-W121 HydrophobicContact CG-CD2 3.76Å; R119-W121 HydrophobicContact CG-CE3 4.04Å; R119-W121 HydrophobicContact CG-CG 4.23Å; R119-W121 HydrophobicContact CG-CH2 4.22Å; R119-W121 HydrophobicContact CG-CZ2 3.96Å; R119-W121 HydrophobicContact CG-CZ3 4.25Å; R119-W121 WeakPolarHBondContact CG-O 3.43Å; R119-W121 PolarHBondContact NH1-O 3.36Å; R119-E126 IonicContact CZ-OE1 3.78Å; R119-E126 IonicContact NH1-OE1 3.91Å; R119-E126 IonicContact NH2-OE1 3.38Å; R119-E126 PolarHBondContact NH2-OE1 3.32Å; R119-E126 IonicContact NH2-OE2 3.64Å; R119-L128 WeakPolarHBondContact O-CD1 3.41Å | ||
| 120 | Y | 98.8 | Very high | 96.4 | Very high | 0 Ų | 0 | 74.6 Ų | 74.6 | 0% | 0 | 36% | 0.362 | C | S | . | . | trans | -105.9 | -9.6 | 176.2 | 57.9 | -95.3 | 0 | 0 | 0 | 112.8 | P83 F91 W92 I103 M105 E118 Q165 H204 | P83-Y120 HydrophobicContact CG-CD1 3.57Å; P83-Y120 HydrophobicContact CG-CE1 4.38Å; P83-Y120 HydrophobicContact CG-CG 4.22Å; F91-Y120 HydrophobicContact CD1-CD2 4.17Å; F91-Y120 HydrophobicContact CD1-CG 4.1Å; F91-Y120 HydrophobicContact CE1-CD1 4.24Å; F91-Y120 AromaticContact CE1-CD2 3.45Å; F91-Y120 HydrophobicContact CE1-CD2 3.45Å; F91-Y120 VanDerWaalsContact CE1-CD2 3.45Å; F91-Y120 HydrophobicContact CE1-CE1 4.44Å; F91-Y120 AromaticContact CE1-CE2 3.73Å; F91-Y120 HydrophobicContact CE1-CE2 3.73Å; F91-Y120 AromaticContact CE1-CG 3.73Å; F91-Y120 HydrophobicContact CE1-CG 3.73Å; F91-Y120 HydrophobicContact CZ-CD1 4.4Å; F91-Y120 HydrophobicContact CZ-CD2 4.09Å; F91-Y120 HydrophobicContact CZ-CE1 4.23Å; F91-Y120 AromaticContact CZ-CE2 3.94Å; F91-Y120 HydrophobicContact CZ-CE2 3.94Å; F91-Y120 HydrophobicContact CZ-CG 4.31Å; F91-Y120 AromaticContact CZ-CZ 3.99Å; W92-Y120 AromaticContact CZ2-CD2 3.88Å; W92-Y120 HydrophobicContact CZ2-CD2 3.88Å; W92-Y120 WeakPolarHBondContact CZ2-O 3.35Å; W92-Y120 PolarHBondContact NE1-O 3.36Å; W92-Y120 VanDerWaalsContact NE1-O 3.15Å; I103-Y120 HydrophobicContact CD1-CE2 4.12Å; I103-Y120 HydrophobicContact CG2-CE2 4.4Å; I103-Y120 WeakPolarHBondContact CG2-OH 3.4Å; M105-Y120 HydrophobicContact SD-CE1 3.94Å; E118-Y120 PolarHBondContact O-N 3.4Å; Y120-Q165 HydrophobicContact CE2-CG 4.28Å; Y120-Q165 PolarHBondContact OH-NE2 3.37Å; Y120-Q165 VanDerWaalsContact OH-NE2 3.07Å; Y120-H204 AromaticContact CE1-CE1 3.59Å; Y120-H204 AromaticContact CE1-NE2 3.27Å; Y120-H204 VanDerWaalsContact CE1-NE2 3.27Å; Y120-H204 WeakPolarHBondContact CE1-NE2 3.42Å; Y120-H204 AromaticContact CZ-NE2 3.33Å; Y120-H204 VanDerWaalsContact CZ-NE2 3.33Å; Y120-H204 PolarHBondContact OH-NE2 3.37Å | ||
| 121 | W | 98.8 | Very high | 96.4 | Very high | 4 Ų | 4 | 74.2 Ų | 74.2 | 2% | 0.015 | 37% | 0.372 | C | S | . | . | S | Bend | trans | -96.6 | 156.2 | 177.5 | 64.3 | 96.2 | 0 | 0 | 0 | 112.3 | M105 E109 R119 R150 L152 Q165 | M105-W121 HydrophobicContact CE-CH2 3.75Å; M105-W121 HydrophobicContact CE-CZ3 3.72Å; M105-W121 HydrophobicContact SD-CE3 4.33Å; M105-W121 HydrophobicContact SD-CH2 3.86Å; M105-W121 HydrophobicContact SD-CZ3 3.47Å; M105-W121 WeakPolarHBondContact SD-CZ3 3.48Å; E109-W121 HydrophobicContact CG-CH2 3.73Å; E109-W121 HydrophobicContact CG-CZ2 4.22Å; E109-W121 WeakPolarHBondContact OE1-CZ2 3.5Å; R119-W121 HydrophobicContact CB-CH2 4.43Å; R119-W121 HydrophobicContact CB-CZ3 4.49Å; R119-W121 HydrophobicContact CG-CD2 3.76Å; R119-W121 HydrophobicContact CG-CE3 4.04Å; R119-W121 HydrophobicContact CG-CG 4.23Å; R119-W121 HydrophobicContact CG-CH2 4.22Å; R119-W121 HydrophobicContact CG-CZ2 3.96Å; R119-W121 HydrophobicContact CG-CZ3 4.25Å; R119-W121 WeakPolarHBondContact CG-O 3.43Å; R119-W121 PolarHBondContact NH1-O 3.36Å; W121-R150 VanDerWaalsContact CD1-CD 3.42Å; W121-R150 VanDerWaalsContact NE1-CZ 3.33Å; W121-L152 HydrophobicContact CB-CD1 3.83Å; W121-L152 HydrophobicContact CB-CD2 4.08Å; W121-Q165 VanDerWaalsContact CE3-NE2 3.32Å |
| 122 | A | 98.3 | Very high | 96.6 | Very high | 0 Ų | 0 | 76.3 Ų | 76.3 | 0% | 0 | 39% | 0.387 | C | S | . | . | trans | -78.6 | 159.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112 | E126 L128 I135 L137 | A122-E126 WeakPolarHBondContact CB-O 3.43Å; A122-L128 HydrophobicContact CB-CB 4.36Å; A122-I135 HydrophobicContact CB-CG2 4.14Å; A122-I135 VanDerWaalsContact CB-O 3.26Å; A122-I135 WeakPolarHBondContact CB-O 3.41Å; A122-L137 HydrophobicContact CB-CB 4.27Å | ||
| 123 | R | 97.4 | Very high | 97 | Very high | 118 Ų | 118 | 69.4 Ų | 69.4 | 45% | 0.445 | 35% | 0.349 | S | S | . | . | B | Isolated β-bridge | trans | -109.4 | 169.6 | 168.3 | -65.4 | 177.1 | 176.2 | 172.4 | -0.7 | 109.3 | E109 Q125 E126 | E109-R123 IonicContact OE1-NH2 3.76Å; R123-Q125 PolarHBondContact O-N 2.92Å; R123-E126 HydrophobicContact CB-CB 4.11Å; R123-E126 PolarHBondContact N-O 3.18Å; R123-E126 VanDerWaalsContact N-O 3.15Å; R123-E126 CarbonylContact O-C 3.5Å; R123-E126 PolarHBondContact O-N 3.48Å |
| 124 | E | 94.6 | Very high | 97.3 | Very high | 154 Ų | 154 | 67.7 Ų | 67.7 | 72% | 0.72 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.7 | 128.3 | 175.2 | -176 | 167.3 | -160.3 | 0 | 0 | 109.8 | E126 L137 | E124-E126 PolarHBondContact O-N 3.01Å; E124-L137 HydrophobicContact CB-CD2 4.45Å |
| 125 | Q | 92.6 | Very high | 97.6 | Very high | 185 Ų | 185 | 58.9 Ų | 58.9 | 86% | 0.864 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.4 | 9.9 | -176.5 | -57.6 | 168.9 | 23.8 | 0 | 0 | 115.5 | R123 | R123-Q125 PolarHBondContact O-N 2.92Š|
| 126 | E | 97.5 | Very high | 97.7 | Very high | 83 Ų | 83 | 53 Ų | 53 | 39% | 0.388 | 27% | 0.274 | S | S | . | . | B | Isolated β-bridge | trans | -127.7 | 79.2 | 179.4 | -166.4 | -160.8 | 150.3 | 0 | 0 | 110.2 | R119 A122 R123 E124 | R119-E126 IonicContact CZ-OE1 3.78Å; R119-E126 IonicContact NH1-OE1 3.91Å; R119-E126 IonicContact NH2-OE1 3.38Å; R119-E126 PolarHBondContact NH2-OE1 3.32Å; R119-E126 IonicContact NH2-OE2 3.64Å; A122-E126 WeakPolarHBondContact CB-O 3.43Å; R123-E126 HydrophobicContact CB-CB 4.11Å; R123-E126 PolarHBondContact N-O 3.18Å; R123-E126 VanDerWaalsContact N-O 3.15Å; R123-E126 CarbonylContact O-C 3.5Å; R123-E126 PolarHBondContact O-N 3.48Å; E124-E126 PolarHBondContact O-N 3.01Å |
| 127 | P | 97.4 | Very high | 97.7 | Very high | 76 Ų | 76 | 54 Ų | 54 | 49% | 0.494 | 28% | 0.28 | S | S | . | . | trans | -58.4 | 140.8 | 173.7 | -23 | 34.2 | 0 | 0 | 0 | 111.7 | I135 T136 | P127-I135 CarbonylContact C-O 3.59Å; P127-I135 VanDerWaalsContact CA-O 3.3Å; P127-I135 WeakPolarHBondContact CA-O 3.34Å; P127-T136 HydrophobicContact CB-CG2 3.98Å; P127-T136 HydrophobicContact CG-CG2 4.13Å | ||
| 128 | L | 98.4 | Very high | 97.7 | Very high | 20 Ų | 20 | 57.7 Ų | 57.7 | 11% | 0.105 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 131.1 | 175 | -175.7 | 146.2 | 0 | 0 | 0 | 110 | R119 A122 A130 I135 | R119-L128 WeakPolarHBondContact O-CD1 3.41Å; A122-L128 HydrophobicContact CB-CB 4.36Å; L128-A130 HydrophobicContact CD2-CB 4.12Å; L128-I135 HydrophobicContact CB-CB 4.37Å; L128-I135 HydrophobicContact CD2-CD1 3.87Å; L128-I135 PolarHBondContact N-O 2.99Å; L128-I135 PolarHBondContact O-N 2.92Å |
| 129 | K | 98.2 | Very high | 97.7 | Very high | 172 Ų | 172 | 62 Ų | 62 | 75% | 0.748 | 32% | 0.321 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 131.1 | 171.7 | -67.8 | -173.3 | 178.8 | -178.3 | 0 | 110.4 | F133 | K129-F133 WeakPolarHBondContact CA-O 3.32Å |
| 130 | A | 97.5 | Very high | 97.7 | Very high | 6 Ų | 6 | 64.6 Ų | 64.6 | 5% | 0.05 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 92.9 | 172.7 | 0 | 0 | 0 | 0 | 0 | 108.7 | L88 W92 L128 F133 | L88-A130 HydrophobicContact CB-CB 4.41Å; W92-A130 HydrophobicContact CG-CB 4.39Å; L128-A130 HydrophobicContact CD2-CB 4.12Å; A130-F133 PolarHBondContact N-O 2.86Å; A130-F133 WeakPolarHBondContact O-CB 3.43Å; A130-F133 WeakPolarHBondContact O-CD2 3.45Å; A130-F133 PolarHBondContact O-N 3.05Å; A130-F133 VanDerWaalsContact O-N 3.11Å |
| 131 | G | 96.4 | Very high | 97.6 | Very high | 60 Ų | 60 | 66.9 Ų | 66.9 | 62% | 0.619 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.7 | -126.7 | -170.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | F133 | G131-F133 PolarHBondContact O-N 2.79Š|
| 132 | P | 97.6 | Very high | 97.5 | Very high | 60 Ų | 60 | 71.7 Ų | 71.7 | 39% | 0.39 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.2 | -5.1 | 179.5 | 33.3 | -35.9 | 0 | 0 | 0 | 114.1 | L54 F156 | L54-P132 HydrophobicContact CD1-CG 3.75Å; L54-P132 HydrophobicContact CD2-CG 4.45Å; P132-F156 HydrophobicContact CB-CD2 3.9Å; P132-F156 HydrophobicContact CB-CE2 3.79Å; P132-F156 HydrophobicContact CG-CD2 3.88Å; P132-F156 HydrophobicContact CG-CE2 3.54Å |
| 133 | F | 98.7 | Very high | 97.3 | Very high | 2 Ų | 2 | 74.5 Ų | 74.5 | 1% | 0.009 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 133.9 | 177.9 | -61.5 | -83.5 | 0 | 0 | 0 | 111.4 | L53 L89 W92 R93 W96 K129 A130 G131 I135 V154 T155 F156 | L53-F133 HydrophobicContact CD2-CZ 3.88Å; L89-F133 HydrophobicContact CD1-CD2 3.81Å; L89-F133 HydrophobicContact CD1-CE2 3.84Å; W92-F133 HydrophobicContact CB-CB 4.31Å; W92-F133 HydrophobicContact CB-CD1 4.34Å; W92-F133 HydrophobicContact CB-CD2 3.75Å; W92-F133 HydrophobicContact CB-CE2 4.15Å; W92-F133 HydrophobicContact CB-CG 3.87Å; R93-F133 HydrophobicContact CG-CE2 4Å; R93-F133 HydrophobicContact CG-CZ 4.47Å; W96-F133 HydrophobicContact CB-CE1 3.6Å; W96-F133 HydrophobicContact CB-CZ 3.93Å; W96-F133 AromaticContact CD2-CE1 3.89Å; W96-F133 HydrophobicContact CD2-CE1 3.89Å; W96-F133 HydrophobicContact CE3-CD1 4.41Å; W96-F133 HydrophobicContact CE3-CE1 4.02Å; W96-F133 AromaticContact CG-CE1 3.72Å; W96-F133 HydrophobicContact CG-CE1 3.72Å; W96-F133 HydrophobicContact CG-CZ 4.25Å; K129-F133 WeakPolarHBondContact CA-O 3.32Å; A130-F133 PolarHBondContact N-O 2.86Å; A130-F133 WeakPolarHBondContact O-CB 3.43Å; A130-F133 WeakPolarHBondContact O-CD2 3.45Å; A130-F133 PolarHBondContact O-N 3.05Å; A130-F133 VanDerWaalsContact O-N 3.11Å; G131-F133 PolarHBondContact O-N 2.79Å; F133-I135 HydrophobicContact CB-CD1 3.89Å; F133-V154 HydrophobicContact CD1-CG1 4.07Å; F133-T155 WeakPolarHBondContact CA-O 3.34Å; F133-F156 HydrophobicContact CD1-CB 3.65Å; F133-F156 HydrophobicContact CD1-CD2 4Å; F133-F156 HydrophobicContact CD1-CG 4.01Å; F133-F156 HydrophobicContact CE1-CB 3.62Å; F133-F156 HydrophobicContact CE1-CD1 4.25Å; F133-F156 AromaticContact CE1-CD2 3.69Å; F133-F156 HydrophobicContact CE1-CD2 3.69Å; F133-F156 HydrophobicContact CE1-CE2 4.43Å; F133-F156 AromaticContact CE1-CG 3.58Å; F133-F156 HydrophobicContact CE1-CG 3.58Å; F133-F156 HydrophobicContact CE2-CD2 4.38Å; F133-F156 HydrophobicContact CG-CD2 4.45Å; F133-F156 AromaticContact CZ-CD2 3.9Å; F133-F156 HydrophobicContact CZ-CD2 3.9Å; F133-F156 HydrophobicContact CZ-CE2 4.22Å; F133-F156 HydrophobicContact CZ-CG 4.14Å |
| 134 | C | 98.6 | Very high | 97 | Very high | 40 Ų | 40 | 70.3 Ų | 70.3 | 27% | 0.27 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 121.4 | 168.2 | -172.9 | 0 | 0 | 0 | 0 | 109.3 | T155 | C134-T155 PolarHBondContact N-O 3.35Å; C134-T155 PolarHBondContact O-N 2.68Å |
| 135 | I | 98.8 | Very high | 96.9 | Very high | 0 Ų | 0 | 67.5 Ų | 67.5 | 0% | 0 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 129.4 | -178.1 | -60.9 | 92.6 | 0 | 0 | 0 | 108.1 | W92 A122 P127 L128 F133 L152 Q153 V154 | W92-I135 HydrophobicContact CD2-CD1 3.92Å; W92-I135 HydrophobicContact CD2-CG1 4.04Å; W92-I135 HydrophobicContact CE3-CG1 4.39Å; W92-I135 HydrophobicContact CG-CD1 4.08Å; W92-I135 HydrophobicContact CH2-CG1 4Å; W92-I135 HydrophobicContact CH2-CG2 4.27Å; W92-I135 HydrophobicContact CZ2-CB 4.39Å; W92-I135 HydrophobicContact CZ2-CD1 4.13Å; W92-I135 HydrophobicContact CZ2-CG1 3.6Å; W92-I135 HydrophobicContact CZ2-CG2 4.04Å; W92-I135 HydrophobicContact CZ3-CG1 4.37Å; A122-I135 HydrophobicContact CB-CG2 4.14Å; A122-I135 VanDerWaalsContact CB-O 3.26Å; A122-I135 WeakPolarHBondContact CB-O 3.41Å; P127-I135 CarbonylContact C-O 3.59Å; P127-I135 VanDerWaalsContact CA-O 3.3Å; P127-I135 WeakPolarHBondContact CA-O 3.34Å; L128-I135 HydrophobicContact CB-CB 4.37Å; L128-I135 HydrophobicContact CD2-CD1 3.87Å; L128-I135 PolarHBondContact N-O 2.99Å; L128-I135 PolarHBondContact O-N 2.92Å; F133-I135 HydrophobicContact CB-CD1 3.89Å; I135-L152 HydrophobicContact CG2-CB 4.26Å; I135-L152 HydrophobicContact CG2-CD1 4.33Å; I135-L152 HydrophobicContact CG2-CD2 4.44Å; I135-Q153 WeakPolarHBondContact CA-O 3.35Å; I135-V154 HydrophobicContact CG1-CG1 4.26Å; I135-V154 HydrophobicContact CG1-CG2 4.24Å |
| 136 | T | 98.6 | Very high | 96.9 | Very high | 39 Ų | 39 | 59.7 Ų | 59.7 | 24% | 0.239 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 145.9 | 175.6 | 55.3 | 0 | 0 | 0 | 0 | 110.1 | P127 L152 Q153 | P127-T136 HydrophobicContact CB-CG2 3.98Å; P127-T136 HydrophobicContact CG-CG2 4.13Å; T136-L152 CarbonylContact O-C 3.53Å; T136-L152 VanDerWaalsContact O-CA 3.31Å; T136-L152 WeakPolarHBondContact O-CA 3.24Å; T136-Q153 PolarHBondContact N-O 2.95Å; T136-Q153 PolarHBondContact O-N 2.89Å; T136-Q153 PolarHBondContact OG1-O 3.42Å |
| 137 | L | 98.8 | Very high | 96.9 | Very high | 37 Ų | 37 | 55.8 Ų | 55.8 | 19% | 0.194 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 122.8 | 173.5 | -179 | 66.4 | 0 | 0 | 0 | 108.2 | A122 E124 K139 E140 R150 L152 | A122-L137 HydrophobicContact CB-CB 4.27Å; E124-L137 HydrophobicContact CB-CD2 4.45Å; L137-K139 WeakPolarHBondContact CD1-O 3.21Å; L137-E140 HydrophobicContact CD1-CB 4.31Å; L137-E140 HydrophobicContact CD2-CB 4.16Å; L137-R150 HydrophobicContact CD1-CB 3.9Å; L137-R150 HydrophobicContact CD1-CG 4.16Å; L137-L152 HydrophobicContact CD1-CD2 3.8Å |
| 138 | T | 98.2 | Very high | 96.9 | Very high | 78 Ų | 78 | 52.9 Ų | 52.9 | 48% | 0.479 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | -34.1 | 176.5 | 62.9 | 0 | 0 | 0 | 0 | 111.9 | T151 Q153 | T138-T151 PolarHBondContact N-O 2.81Å; T138-T151 WeakPolarHBondContact OG1-CB 3.28Å; T138-T151 VanDerWaalsContact OG1-CG2 3.24Å; T138-T151 WeakPolarHBondContact OG1-CG2 3.22Å; T138-T151 PolarHBondContact OG1-O 3.47Å; T138-Q153 HydrophobicContact CG2-CB 3.75Å |
| 139 | K | 98.2 | Very high | 96.9 | Very high | 127 Ų | 127 | 52.6 Ų | 52.6 | 55% | 0.552 | 31% | 0.308 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -154.5 | 138.6 | 178.2 | -174.6 | 174.3 | 177.3 | -179 | 0 | 110.6 | L137 T141 R150 T151 | L137-K139 WeakPolarHBondContact CD1-O 3.21Å; K139-T141 HydrophobicContact CD-CG2 4.37Å; K139-T141 HydrophobicContact CG-CG2 4.17Å; K139-R150 CarbonylContact O-C 3.54Å; K139-R150 WeakPolarHBondContact O-CA 3.49Å; K139-T151 PolarHBondContact N-O 2.84Å; K139-T151 PolarHBondContact O-N 2.79Å |
| 140 | E | 98.2 | Very high | 97 | Very high | 96 Ų | 96 | 45.2 Ų | 45.2 | 45% | 0.449 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 131.7 | 168.2 | -176.8 | 164.7 | 135.4 | 0 | 0 | 109 | L137 T148 L149 R150 | L137-E140 HydrophobicContact CD1-CB 4.31Å; L137-E140 HydrophobicContact CD2-CB 4.16Å; E140-T148 HydrophobicContact CG-CG2 3.71Å; E140-L149 WeakPolarHBondContact CA-O 3.36Å; E140-R150 HydrophobicContact CB-CG 4.48Å; E140-R150 HydrophobicContact CG-CG 4.09Å; E140-R150 IonicContact OE1-NH2 3.7Å; E140-R150 WeakPolarHBondContact OE2-CD 3.31Å; E140-R150 IonicContact OE2-CZ 2.64Å; E140-R150 IonicContact OE2-NE 3.35Å; E140-R150 PolarHBondContact OE2-NE 2.79Å; E140-R150 IonicContact OE2-NH2 2.71Å |
| 141 | T | 97.2 | Very high | 97 | Very high | 48 Ų | 48 | 46.1 Ų | 46.1 | 29% | 0.294 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 146.5 | 178.8 | 48.2 | 0 | 0 | 0 | 0 | 110.9 | K139 L149 | K139-T141 HydrophobicContact CD-CG2 4.37Å; K139-T141 HydrophobicContact CG-CG2 4.17Å; T141-L149 PolarHBondContact N-O 2.81Å; T141-L149 PolarHBondContact O-N 2.85Å |
| 142 | T | 96.2 | Very high | 97.1 | Very high | 104 Ų | 104 | 43.2 Ų | 43.2 | 64% | 0.638 | 25% | 0.251 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 118.5 | 171.2 | -57 | 0 | 0 | 0 | 0 | 108.9 | N144 | T142-N144 WeakPolarHBondContact CG2-O 3.38Å |
| 143 | L | 93.4 | Very high | 97.2 | Very high | 60 Ų | 60 | 43.8 Ų | 43.8 | 31% | 0.314 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | -38.8 | 177.1 | -67.6 | 179.3 | 0 | 0 | 0 | 111.5 | I147 L149 L166 E189 | L143-I147 HydrophobicContact CB-CB 4.31Å; L143-I147 HydrophobicContact CB-CG2 4.36Å; L143-I147 HydrophobicContact CD1-CG2 3.89Å; L143-I147 HydrophobicContact CG-CG2 4.45Å; L143-I147 PolarHBondContact N-O 3.33Å; L143-L149 HydrophobicContact CD1-CB 4.06Å; L143-L149 HydrophobicContact CD2-CB 4.24Å; L143-L149 HydrophobicContact CD2-CD2 4.04Å; L143-L149 HydrophobicContact CG-CB 3.91Å; L143-L166 HydrophobicContact CD1-CD2 3.36Å; L143-E189 HydrophobicContact CD1-CB 4.14Å; L143-E189 HydrophobicContact CD1-CG 3.73Å |
| 144 | N | 92.4 | Very high | 97.2 | Very high | 30 Ų | 30 | 43.8 Ų | 43.8 | 16% | 0.16 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158 | -177.2 | 172.4 | 61.1 | 37.6 | 0 | 0 | 0 | 108.7 | T142 D146 I147 H182 | T142-N144 WeakPolarHBondContact CG2-O 3.38Å; N144-D146 PolarHBondContact O-N 3.5Å; N144-D146 PolarHBondContact OD1-N 3.48Å; N144-I147 PolarHBondContact O-N 2.87Å; N144-I147 WeakPolarHBondContact OD1-CG1 3.28Å; N144-I147 PolarHBondContact OD1-N 2.9Å; N144-H182 PolarHBondContact ND2-CD2 3.49Å |
| 145 | A | 91 | Very high | 97.2 | Very high | 94 Ų | 94 | 44 Ų | 44 | 78% | 0.777 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.8 | -22.2 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 146 | D | 94 | Very high | 97.2 | Very high | 22 Ų | 22 | 44.2 Ų | 44.2 | 12% | 0.118 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -112.2 | -9.6 | -173.3 | -69 | -33.6 | 0 | 0 | 0 | 114.2 | N144 Y168 M169 S170 H182 | N144-D146 PolarHBondContact O-N 3.5Å; N144-D146 PolarHBondContact OD1-N 3.48Å; D146-Y168 HydrophobicContact CB-CE1 4.04Å; D146-Y168 HydrophobicContact CB-CE2 4.19Å; D146-Y168 CarbonylContact O-C 3.58Å; D146-Y168 WeakPolarHBondContact O-CA 3.36Å; D146-Y168 PolarHBondContact OD2-OH 3.05Å; D146-M169 PolarHBondContact O-N 3.5Å; D146-S170 WeakPolarHBondContact CB-OG 3.5Å; D146-S170 VanDerWaalsContact OD1-CB 3.28Å; D146-S170 WeakPolarHBondContact OD1-CB 3.45Å; D146-S170 PolarHBondContact OD1-OG 3.05Å; D146-S170 PolarHBondContact OD2-OG 2.84Å; D146-H182 IonicContact OD2-CE1 3.8Å; D146-H182 PolarHBondContact OD2-CE1 3.26Å; D146-H182 IonicContact OD2-CG 2.59Å; D146-H182 IonicContact OD2-ND1 3.74Å; D146-H182 PolarHBondContact OD2-ND1 2.69Å |
| 147 | I | 96.9 | Very high | 97 | Very high | 1 Ų | 1 | 48.9 Ų | 48.9 | 1% | 0.005 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 123 | -170.4 | -56.4 | 169.2 | 0 | 0 | 0 | 112.1 | L143 N144 L166 Q167 Y168 H182 M186 | L143-I147 HydrophobicContact CB-CB 4.31Å; L143-I147 HydrophobicContact CB-CG2 4.36Å; L143-I147 HydrophobicContact CD1-CG2 3.89Å; L143-I147 HydrophobicContact CG-CG2 4.45Å; L143-I147 PolarHBondContact N-O 3.33Å; N144-I147 PolarHBondContact O-N 2.87Å; N144-I147 WeakPolarHBondContact OD1-CG1 3.28Å; N144-I147 PolarHBondContact OD1-N 2.9Å; I147-L166 HydrophobicContact CG2-CD2 3.97Å; I147-Q167 WeakPolarHBondContact CA-O 3.27Å; I147-Y168 HydrophobicContact CD1-CD2 4.17Å; I147-Y168 HydrophobicContact CD1-CE2 4.37Å; I147-Y168 HydrophobicContact CG1-CD2 3.84Å; I147-Y168 HydrophobicContact CG1-CE2 4.21Å; I147-H182 HydrophobicContact CD1-CB 4.36Å; I147-H182 WeakPolarHBondContact CD1-O 3.37Å; I147-M186 HydrophobicContact CD1-CB 3.61Å; I147-M186 HydrophobicContact CD1-CG 4.04Å; I147-M186 HydrophobicContact CG2-CG 4.47Å |
| 148 | T | 98.1 | Very high | 96.8 | Very high | 15 Ų | 15 | 56.9 Ų | 56.9 | 9% | 0.092 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 130.2 | 168.6 | -54.6 | 0 | 0 | 0 | 0 | 109.9 | E140 R150 L166 Q167 | E140-T148 HydrophobicContact CG-CG2 3.71Å; T148-R150 HydrophobicContact CG2-CG 4.25Å; T148-L166 WeakPolarHBondContact O-CA 3.36Å; T148-Q167 PolarHBondContact N-O 3.08Å; T148-Q167 PolarHBondContact O-N 3.42Å |
| 149 | L | 98.6 | Very high | 96.8 | Very high | 14 Ų | 14 | 58.3 Ų | 58.3 | 7% | 0.073 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 124.4 | 170.1 | 170.7 | 60.2 | 0 | 0 | 0 | 109.5 | E140 T141 L143 H164 Q165 L166 L193 | E140-L149 WeakPolarHBondContact CA-O 3.36Å; T141-L149 PolarHBondContact N-O 2.81Å; T141-L149 PolarHBondContact O-N 2.85Å; L143-L149 HydrophobicContact CD1-CB 4.06Å; L143-L149 HydrophobicContact CD2-CB 4.24Å; L143-L149 HydrophobicContact CD2-CD2 4.04Å; L143-L149 HydrophobicContact CG-CB 3.91Å; L149-H164 HydrophobicContact CD1-CB 4.17Å; L149-Q165 WeakPolarHBondContact CA-O 3.44Å; L149-L166 HydrophobicContact CB-CD2 3.97Å; L149-L166 HydrophobicContact CD1-CD2 3.83Å; L149-L166 HydrophobicContact CD1-CG 4.02Å; L149-L166 HydrophobicContact CG-CD2 4.38Å; L149-L193 HydrophobicContact CD1-CD1 3.71Å; L149-L193 HydrophobicContact CD2-CD1 4.22Å |
| 150 | R | 98.8 | Very high | 96.7 | Very high | 16 Ų | 16 | 59.1 Ų | 59.1 | 6% | 0.06 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 135.2 | 171 | -58.2 | -173 | 179.4 | 88.8 | 7.6 | 110 | W121 L137 K139 E140 T148 L152 H164 Q165 | W121-R150 VanDerWaalsContact CD1-CD 3.42Å; W121-R150 VanDerWaalsContact NE1-CZ 3.33Å; L137-R150 HydrophobicContact CD1-CB 3.9Å; L137-R150 HydrophobicContact CD1-CG 4.16Å; K139-R150 CarbonylContact O-C 3.54Å; K139-R150 WeakPolarHBondContact O-CA 3.49Å; E140-R150 HydrophobicContact CB-CG 4.48Å; E140-R150 HydrophobicContact CG-CG 4.09Å; E140-R150 IonicContact OE1-NH2 3.7Å; E140-R150 WeakPolarHBondContact OE2-CD 3.31Å; E140-R150 IonicContact OE2-CZ 2.64Å; E140-R150 IonicContact OE2-NE 3.35Å; E140-R150 PolarHBondContact OE2-NE 2.79Å; E140-R150 IonicContact OE2-NH2 2.71Å; T148-R150 HydrophobicContact CG2-CG 4.25Å; R150-L152 HydrophobicContact CB-CD2 4.14Å; R150-L152 HydrophobicContact CB-CG 4.42Å; R150-H164 CarbonylContact O-C 3.57Å; R150-H164 WeakPolarHBondContact O-CA 3.44Å; R150-Q165 HydrophobicContact CB-CB 4.38Å; R150-Q165 PolarHBondContact N-O 2.86Å; R150-Q165 PolarHBondContact O-N 2.92Å |
| 151 | T | 98.8 | Very high | 96.7 | Very high | 25 Ų | 25 | 58.7 Ų | 58.7 | 15% | 0.153 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 120.6 | 163.6 | -54.9 | 0 | 0 | 0 | 0 | 107.6 | T138 K139 H164 | T138-T151 PolarHBondContact N-O 2.81Å; T138-T151 WeakPolarHBondContact OG1-CB 3.28Å; T138-T151 VanDerWaalsContact OG1-CG2 3.24Å; T138-T151 WeakPolarHBondContact OG1-CG2 3.22Å; T138-T151 PolarHBondContact OG1-O 3.47Å; K139-T151 PolarHBondContact N-O 2.84Å; K139-T151 PolarHBondContact O-N 2.79Å; T151-H164 PolarHBondContact OG1-ND1 3.38Å |
| 152 | L | 98.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 137.1 | -177.6 | -53.8 | 175.8 | 0 | 0 | 0 | 108.8 | W92 W121 I135 T136 L137 R150 S162 V163 Q165 | W92-L152 HydrophobicContact CH2-CD1 4.11Å; W121-L152 HydrophobicContact CB-CD1 3.83Å; W121-L152 HydrophobicContact CB-CD2 4.08Å; I135-L152 HydrophobicContact CG2-CB 4.26Å; I135-L152 HydrophobicContact CG2-CD1 4.33Å; I135-L152 HydrophobicContact CG2-CD2 4.44Å; T136-L152 CarbonylContact O-C 3.53Å; T136-L152 VanDerWaalsContact O-CA 3.31Å; T136-L152 WeakPolarHBondContact O-CA 3.24Å; L137-L152 HydrophobicContact CD1-CD2 3.8Å; R150-L152 HydrophobicContact CB-CD2 4.14Å; R150-L152 HydrophobicContact CB-CG 4.42Å; L152-S162 CarbonylContact O-C 3.58Å; L152-S162 WeakPolarHBondContact O-CA 3.49Å; L152-V163 WeakPolarHBondContact CA-O 3.41Å; L152-V163 WeakPolarHBondContact CB-O 3.47Å; L152-V163 PolarHBondContact N-O 3.43Å; L152-V163 PolarHBondContact O-N 3.07Å; L152-Q165 HydrophobicContact CD1-CB 4.26Å |
| 153 | Q | 98.6 | Very high | 96.9 | Very high | 72 Ų | 72 | 54.6 Ų | 54.6 | 34% | 0.336 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 121.3 | 164.5 | 176.5 | -179.6 | -24.6 | 0 | 0 | 108.3 | I135 T136 T138 F160 | I135-Q153 WeakPolarHBondContact CA-O 3.35Å; T136-Q153 PolarHBondContact N-O 2.95Å; T136-Q153 PolarHBondContact O-N 2.89Å; T136-Q153 PolarHBondContact OG1-O 3.42Å; T138-Q153 HydrophobicContact CG2-CB 3.75Å; Q153-F160 HydrophobicContact CG-CB 4.09Å |
| 154 | V | 98.7 | Very high | 97.1 | Very high | 2 Ų | 2 | 53.4 Ų | 53.4 | 1% | 0.012 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 122.8 | 178.2 | -175 | 0 | 0 | 0 | 0 | 107.6 | W92 W96 F133 I135 F160 R161 V163 | W92-V154 HydrophobicContact CE3-CG1 4.1Å; W92-V154 HydrophobicContact CE3-CG2 4.13Å; W92-V154 HydrophobicContact CH2-CG2 3.85Å; W92-V154 HydrophobicContact CZ3-CB 4.47Å; W92-V154 HydrophobicContact CZ3-CG1 4.23Å; W92-V154 HydrophobicContact CZ3-CG2 3.41Å; W92-V154 VanDerWaalsContact CZ3-CG2 3.41Å; W96-V154 HydrophobicContact CE3-CG1 3.98Å; W96-V154 HydrophobicContact CZ3-CB 4.39Å; W96-V154 HydrophobicContact CZ3-CG1 4.08Å; F133-V154 HydrophobicContact CD1-CG1 4.07Å; I135-V154 HydrophobicContact CG1-CG1 4.26Å; I135-V154 HydrophobicContact CG1-CG2 4.24Å; V154-F160 CarbonylContact O-C 3.6Å; V154-F160 VanDerWaalsContact O-CA 3.24Å; V154-F160 WeakPolarHBondContact O-CA 3.43Å; V154-R161 PolarHBondContact N-O 2.73Å; V154-R161 PolarHBondContact O-N 2.88Å; V154-V163 HydrophobicContact CG2-CB 4.17Å; V154-V163 HydrophobicContact CG2-CG2 3.73Å |
| 155 | T | 98.6 | Very high | 97.4 | Very high | 44 Ų | 44 | 52 Ų | 52 | 27% | 0.27 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 130.8 | 179.7 | -53.1 | 0 | 0 | 0 | 0 | 109.9 | F133 C134 E159 | F133-T155 WeakPolarHBondContact CA-O 3.34Å; C134-T155 PolarHBondContact N-O 3.35Å; C134-T155 PolarHBondContact O-N 2.68Å; T155-E159 CarbonylContact C-O 3.53Å; T155-E159 VanDerWaalsContact CA-O 3.3Å; T155-E159 WeakPolarHBondContact CA-O 3.08Å |
| 156 | F | 98.4 | Very high | 97.8 | Very high | 5 Ų | 5 | 47.5 Ų | 47.5 | 2% | 0.022 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.3 | 130.8 | 176.3 | 173.2 | -107 | 0 | 0 | 0 | 109.4 | L53 L54 W96 P132 F133 K158 E159 | L53-F156 HydrophobicContact CD1-CE1 4.13Å; L53-F156 HydrophobicContact CD1-CZ 4.27Å; L54-F156 HydrophobicContact CD2-CE2 3.96Å; L54-F156 HydrophobicContact CD2-CZ 3.76Å; W96-F156 AromaticContact CD1-CD1 3.97Å; W96-F156 HydrophobicContact CD2-CB 4.05Å; W96-F156 HydrophobicContact CD2-CD1 4.08Å; W96-F156 HydrophobicContact CD2-CG 4.37Å; W96-F156 AromaticContact CE2-CD1 3.48Å; W96-F156 VanDerWaalsContact CE2-CD1 3.48Å; W96-F156 HydrophobicContact CE3-CB 4.01Å; W96-F156 HydrophobicContact CG-CD1 4.36Å; W96-F156 HydrophobicContact CH2-CB 3.78Å; W96-F156 HydrophobicContact CZ2-CB 3.82Å; W96-F156 AromaticContact CZ2-CD1 3.78Å; W96-F156 HydrophobicContact CZ2-CD1 3.78Å; W96-F156 HydrophobicContact CZ2-CG 4.3Å; W96-F156 HydrophobicContact CZ3-CB 3.88Å; W96-F156 AromaticContact NE1-CD1 3.39Å; W96-F156 AromaticContact NE1-CE1 3.88Å; P132-F156 HydrophobicContact CB-CD2 3.9Å; P132-F156 HydrophobicContact CB-CE2 3.79Å; P132-F156 HydrophobicContact CG-CD2 3.88Å; P132-F156 HydrophobicContact CG-CE2 3.54Å; F133-F156 HydrophobicContact CD1-CB 3.65Å; F133-F156 HydrophobicContact CD1-CD2 4Å; F133-F156 HydrophobicContact CD1-CG 4.01Å; F133-F156 HydrophobicContact CE1-CB 3.62Å; F133-F156 HydrophobicContact CE1-CD1 4.25Å; F133-F156 AromaticContact CE1-CD2 3.69Å; F133-F156 HydrophobicContact CE1-CD2 3.69Å; F133-F156 HydrophobicContact CE1-CE2 4.43Å; F133-F156 AromaticContact CE1-CG 3.58Å; F133-F156 HydrophobicContact CE1-CG 3.58Å; F133-F156 HydrophobicContact CE2-CD2 4.38Å; F133-F156 HydrophobicContact CG-CD2 4.45Å; F133-F156 AromaticContact CZ-CD2 3.9Å; F133-F156 HydrophobicContact CZ-CD2 3.9Å; F133-F156 HydrophobicContact CZ-CE2 4.22Å; F133-F156 HydrophobicContact CZ-CG 4.14Å; F156-K158 VanDerWaalsContact C-N 3.27Å; F156-K158 PolarHBondContact O-N 3.17Å; F156-K158 VanDerWaalsContact O-N 3.14Å; F156-E159 PolarHBondContact N-O 2.87Å; F156-E159 PolarHBondContact O-N 3.35Å |
| 157 | Q | 94.5 | Very high | 98 | Very high | 136 Ų | 136 | 46.6 Ų | 46.6 | 64% | 0.636 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 47.4 | 43.9 | 177.9 | -65.8 | -178.5 | -10 | 0 | 0 | 114.8 | E159 | Q157-E159 PolarHBondContact O-N 3.43Š|
| 158 | K | 94.8 | Very high | 98 | Very high | 206 Ų | 206 | 46.6 Ų | 46.6 | 90% | 0.896 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 69.8 | -3.4 | -178 | -49.3 | 174.1 | -179.6 | 175.3 | 0 | 115.5 | F156 | F156-K158 VanDerWaalsContact C-N 3.27Å; F156-K158 PolarHBondContact O-N 3.17Å; F156-K158 VanDerWaalsContact O-N 3.14Å |
| 159 | E | 98 | Very high | 97.7 | Very high | 107 Ų | 107 | 48.9 Ų | 48.9 | 50% | 0.5 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 149.8 | 167.1 | -66.8 | -174.2 | -178.1 | 0 | 0 | 110.4 | W96 T155 F156 Q157 R161 | W96-E159 HydrophobicContact CH2-CB 3.79Å; W96-E159 HydrophobicContact CZ2-CB 3.81Å; T155-E159 CarbonylContact C-O 3.53Å; T155-E159 VanDerWaalsContact CA-O 3.3Å; T155-E159 WeakPolarHBondContact CA-O 3.08Å; F156-E159 PolarHBondContact N-O 2.87Å; F156-E159 PolarHBondContact O-N 3.35Å; Q157-E159 PolarHBondContact O-N 3.43Å; E159-R161 IonicContact OE2-NH2 2.78Å |
| 160 | F | 97.3 | Very high | 97.1 | Very high | 144 Ų | 144 | 50.3 Ų | 50.3 | 63% | 0.632 | 24% | 0.243 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 144.1 | 171.2 | 63 | -88.4 | 0 | 0 | 0 | 110.8 | Q153 V154 | Q153-F160 HydrophobicContact CG-CB 4.09Å; V154-F160 CarbonylContact O-C 3.6Å; V154-F160 VanDerWaalsContact O-CA 3.24Å; V154-F160 WeakPolarHBondContact O-CA 3.43Å |
| 161 | R | 98 | Very high | 96.5 | Very high | 87 Ų | 87 | 49.9 Ų | 49.9 | 33% | 0.328 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 142.8 | 177.4 | -62.2 | 179.6 | -171.3 | 175.7 | 4.3 | 109.8 | W96 V154 E159 | W96-R161 VanDerWaalsContact CE2-CZ 3.45Å; W96-R161 HydrophobicContact CE3-CG 4.46Å; W96-R161 HydrophobicContact CH2-CG 3.8Å; W96-R161 HydrophobicContact CZ3-CB 4.11Å; W96-R161 HydrophobicContact CZ3-CG 3.76Å; W96-R161 PolarHBondContact O-NH1 3.01Å; V154-R161 PolarHBondContact N-O 2.73Å; V154-R161 PolarHBondContact O-N 2.88Å; E159-R161 IonicContact OE2-NH2 2.78Å |
| 162 | S | 98 | Very high | 95.6 | Very high | 63 Ų | 63 | 51.6 Ų | 51.6 | 44% | 0.441 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 128.8 | 169.5 | -173.6 | 0 | 0 | 0 | 0 | 109.4 | L152 | L152-S162 CarbonylContact O-C 3.58Å; L152-S162 WeakPolarHBondContact O-CA 3.49Å |
| 163 | V | 98.7 | Very high | 93.8 | Very high | 4 Ų | 4 | 53.5 Ų | 53.5 | 2% | 0.024 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 125.6 | 174.2 | 179.9 | 0 | 0 | 0 | 0 | 108.4 | V95 K101 I103 L152 V154 | V95-V163 HydrophobicContact CG1-CG1 4.36Å; V95-V163 HydrophobicContact CG1-CG2 4.08Å; K101-V163 CarbonylContact O-C 3.55Å; K101-V163 WeakPolarHBondContact O-CA 3.26Å; I103-V163 HydrophobicContact CD1-CG1 3.66Å; I103-V163 HydrophobicContact CG1-CG1 3.92Å; L152-V163 WeakPolarHBondContact CA-O 3.41Å; L152-V163 WeakPolarHBondContact CB-O 3.47Å; L152-V163 PolarHBondContact N-O 3.43Å; L152-V163 PolarHBondContact O-N 3.07Å; V154-V163 HydrophobicContact CG2-CB 4.17Å; V154-V163 HydrophobicContact CG2-CG2 3.73Å |
| 164 | H | 98.8 | Very high | 92.1 | Very high | 34 Ų | 34 | 55 Ų | 55 | 16% | 0.157 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 132 | 175.6 | -57.9 | -76.4 | 0 | 0 | 0 | 109.9 | K101 V102 I103 L149 R150 T151 L193 | K101-H164 PolarHBondContact O-N 3.29Å; V102-H164 CarbonylContact C-O 3.58Å; V102-H164 VanDerWaalsContact CA-O 3.32Å; V102-H164 WeakPolarHBondContact CA-O 3.44Å; I103-H164 PolarHBondContact N-O 2.6Å; L149-H164 HydrophobicContact CD1-CB 4.17Å; R150-H164 CarbonylContact O-C 3.57Å; R150-H164 WeakPolarHBondContact O-CA 3.44Å; T151-H164 PolarHBondContact OG1-ND1 3.38Å; H164-L193 HydrophobicContact CB-CB 4.45Å; H164-L193 HydrophobicContact CB-CD1 3.83Å |
| 165 | Q | 98.9 | Very high | 91.1 | Very high | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 119 | 175 | -174.9 | -127.3 | 25.6 | 0 | 0 | 109.2 | I103 M105 Y120 W121 L149 R150 L152 | I103-Q165 HydrophobicContact CB-CB 4.38Å; I103-Q165 HydrophobicContact CB-CG 4.21Å; I103-Q165 HydrophobicContact CG2-CG 4.3Å; I103-Q165 CarbonylContact O-C 3.6Å; I103-Q165 WeakPolarHBondContact O-CA 3.35Å; M105-Q165 PolarHBondContact SD-NE2 2.8Å; M105-Q165 VanDerWaalsContact SD-NE2 3.43Å; Y120-Q165 HydrophobicContact CE2-CG 4.28Å; Y120-Q165 PolarHBondContact OH-NE2 3.37Å; Y120-Q165 VanDerWaalsContact OH-NE2 3.07Å; W121-Q165 VanDerWaalsContact CE3-NE2 3.32Å; L149-Q165 WeakPolarHBondContact CA-O 3.44Å; R150-Q165 HydrophobicContact CB-CB 4.38Å; R150-Q165 PolarHBondContact N-O 2.86Å; R150-Q165 PolarHBondContact O-N 2.92Å; L152-Q165 HydrophobicContact CD1-CB 4.26Å |
| 166 | L | 98.8 | Very high | 90.5 | Very high | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 120 | 171.9 | -72.8 | 158.1 | 0 | 0 | 0 | 107.9 | V102 I103 L104 M105 L143 I147 T148 L149 M186 E189 A190 L193 | V102-L166 HydrophobicContact CG1-CD1 4.2Å; I103-L166 PolarHBondContact O-N 3.26Å; L104-L166 HydrophobicContact CD2-CB 4.08Å; L104-L166 HydrophobicContact CD2-CD1 4.05Å; M105-L166 PolarHBondContact N-O 3.45Å; L143-L166 HydrophobicContact CD1-CD2 3.36Å; I147-L166 HydrophobicContact CG2-CD2 3.97Å; T148-L166 WeakPolarHBondContact O-CA 3.36Å; L149-L166 HydrophobicContact CB-CD2 3.97Å; L149-L166 HydrophobicContact CD1-CD2 3.83Å; L149-L166 HydrophobicContact CD1-CG 4.02Å; L149-L166 HydrophobicContact CG-CD2 4.38Å; L166-M186 HydrophobicContact CB-CE 3.71Å; L166-M186 HydrophobicContact CB-CG 4.2Å; L166-M186 WeakPolarHBondContact O-CE 3.37Å; L166-E189 HydrophobicContact CD1-CB 4.43Å; L166-E189 HydrophobicContact CD1-CG 4.41Å; L166-E189 HydrophobicContact CD2-CG 4.11Å; L166-A190 HydrophobicContact CD1-CB 3.65Å; L166-L193 HydrophobicContact CD1-CD1 4.32Å |
| 167 | Q | 98.5 | Very high | 89.9 | Confident | 4 Ų | 4 | 54.7 Ų | 54.7 | 2% | 0.019 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 120.8 | 178 | -172.7 | 178.7 | 8.2 | 0 | 0 | 110.6 | M105 C107 I147 T148 M169 | M105-Q167 HydrophobicContact CB-CB 4.25Å; M105-Q167 HydrophobicContact CB-CG 4.11Å; M105-Q167 HydrophobicContact CG-CG 3.89Å; M105-Q167 CarbonylContact O-C 3.48Å; M105-Q167 WeakPolarHBondContact O-CA 3.47Å; M105-Q167 HydrophobicContact SD-CG 4.02Å; C107-Q167 PolarHBondContact O-NE2 2.71Å; C107-Q167 VanDerWaalsContact O-NE2 3.08Å; I147-Q167 WeakPolarHBondContact CA-O 3.27Å; T148-Q167 PolarHBondContact N-O 3.08Å; T148-Q167 PolarHBondContact O-N 3.42Å; Q167-M169 HydrophobicContact CB-SD 4.19Å; Q167-M169 HydrophobicContact CG-SD 3.56Å; Q167-M169 VanDerWaalsContact CG-SD 3.56Å |
| 168 | Y | 96.8 | Very high | 89.4 | Confident | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 116.2 | 170.5 | -159.8 | -72.2 | 0 | 0 | 0 | 109.3 | M105 D146 I147 S170 W171 P177 H182 I183 M186 | M105-Y168 PolarHBondContact O-N 2.64Å; D146-Y168 HydrophobicContact CB-CE1 4.04Å; D146-Y168 HydrophobicContact CB-CE2 4.19Å; D146-Y168 CarbonylContact O-C 3.58Å; D146-Y168 WeakPolarHBondContact O-CA 3.36Å; D146-Y168 PolarHBondContact OD2-OH 3.05Å; I147-Y168 HydrophobicContact CD1-CD2 4.17Å; I147-Y168 HydrophobicContact CD1-CE2 4.37Å; I147-Y168 HydrophobicContact CG1-CD2 3.84Å; I147-Y168 HydrophobicContact CG1-CE2 4.21Å; Y168-S170 VanDerWaalsContact CE1-OG 3.23Å; Y168-S170 WeakPolarHBondContact CE1-OG 3.19Å; Y168-W171 HydrophobicContact CD1-CB 3.69Å; Y168-W171 HydrophobicContact CD1-CE3 4.49Å; Y168-W171 HydrophobicContact CE1-CB 4.09Å; Y168-W171 HydrophobicContact CG-CE3 4.45Å; Y168-P177 HydrophobicContact CE1-CB 4.3Å; Y168-H182 HydrophobicContact CE2-CB 3.84Å; Y168-I183 HydrophobicContact CD2-CD1 3.61Å; Y168-I183 HydrophobicContact CE2-CD1 3.48Å; Y168-I183 VanDerWaalsContact CE2-CD1 3.48Å; Y168-I183 HydrophobicContact CE2-CG1 4.11Å; Y168-I183 HydrophobicContact CG-CD1 4.41Å; Y168-M186 HydrophobicContact CD2-SD 4.1Å |
| 169 | M | 91.2 | Very high | 89 | Confident | 63 Ų | 63 | 44.7 Ų | 44.7 | 31% | 0.31 | 24% | 0.241 | S | C | . | . | S | Bend | trans | -89.1 | -28.7 | -166.7 | -61.6 | -59.7 | -72.8 | 0 | 0 | 113.4 | Q108 D146 Q167 | Q108-M169 WeakPolarHBondContact CG-O 3.47Å; Q108-M169 PolarHBondContact NE2-O 3.18Å; D146-M169 PolarHBondContact O-N 3.5Å; Q167-M169 HydrophobicContact CB-SD 4.19Å; Q167-M169 HydrophobicContact CG-SD 3.56Å; Q167-M169 VanDerWaalsContact CG-SD 3.56Å |
| 170 | S | 87.1 | Confident | 88.7 | Confident | 44 Ų | 44 | 40 Ų | 40 | 31% | 0.308 | 22% | 0.221 | S | C | . | . | trans | -111.6 | 21 | -169.3 | 60.3 | 0 | 0 | 0 | 0 | 114.4 | D146 Y168 P172 | D146-S170 WeakPolarHBondContact CB-OG 3.5Å; D146-S170 VanDerWaalsContact OD1-CB 3.28Å; D146-S170 WeakPolarHBondContact OD1-CB 3.45Å; D146-S170 PolarHBondContact OD1-OG 3.05Å; D146-S170 PolarHBondContact OD2-OG 2.84Å; Y168-S170 VanDerWaalsContact CE1-OG 3.23Å; Y168-S170 WeakPolarHBondContact CE1-OG 3.19Å; S170-P172 WeakPolarHBondContact O-CD 3.4Å | ||
| 171 | W | 86.3 | Confident | 88.5 | Confident | 7 Ų | 7 | 36.3 Ų | 36.3 | 3% | 0.027 | 21% | 0.207 | C | C | . | . | trans | -82 | 109.2 | 177 | -161.3 | -29.4 | 0 | 0 | 0 | 110.3 | A106 Y168 G175 P177 I183 R211 V214 L215 | A106-W171 HydrophobicContact CB-CE3 3.92Å; A106-W171 HydrophobicContact CB-CZ3 4.18Å; Y168-W171 HydrophobicContact CD1-CB 3.69Å; Y168-W171 HydrophobicContact CD1-CE3 4.49Å; Y168-W171 HydrophobicContact CE1-CB 4.09Å; Y168-W171 HydrophobicContact CG-CE3 4.45Å; W171-G175 PolarHBondContact NE1-O 3.06Å; W171-G175 VanDerWaalsContact NE1-O 3.15Å; W171-P177 HydrophobicContact CD2-CG 3.52Å; W171-P177 VanDerWaalsContact CE2-CG 3.49Å; W171-P177 HydrophobicContact CE3-CG 3.77Å; W171-P177 HydrophobicContact CG-CG 4.02Å; W171-P177 HydrophobicContact CH2-CG 3.98Å; W171-P177 HydrophobicContact CZ2-CG 3.74Å; W171-P177 HydrophobicContact CZ3-CG 4.01Å; W171-I183 HydrophobicContact CE3-CD1 3.83Å; W171-I183 HydrophobicContact CH2-CD1 4.1Å; W171-I183 HydrophobicContact CZ3-CD1 3.41Å; W171-I183 VanDerWaalsContact CZ3-CD1 3.41Å; W171-R211 HydrophobicContact CD2-CB 4.12Å; W171-R211 HydrophobicContact CD2-CG 3.85Å; W171-R211 HydrophobicContact CE3-CB 4.27Å; W171-R211 HydrophobicContact CG-CG 4.15Å; W171-R211 HydrophobicContact CH2-CB 4.14Å; W171-R211 HydrophobicContact CZ2-CB 3.97Å; W171-R211 HydrophobicContact CZ2-CG 3.93Å; W171-R211 HydrophobicContact CZ3-CB 4.28Å; W171-R211 PolarHBondContact O-NH1 3.15Å; W171-V214 HydrophobicContact CH2-CB 3.83Å; W171-V214 HydrophobicContact CH2-CG1 3.7Å; W171-V214 HydrophobicContact CZ2-CB 4.16Å; W171-V214 HydrophobicContact CZ2-CG1 4.13Å; W171-V214 HydrophobicContact CZ2-CG2 4.4Å; W171-L215 HydrophobicContact CH2-CG 4.47Å; W171-L215 HydrophobicContact CZ3-CD1 4.49Å; W171-L215 HydrophobicContact CZ3-CD2 4.09Å; W171-L215 HydrophobicContact CZ3-CG 4.02Å | ||
| 172 | P | 78 | Confident | 88.4 | Confident | 62 Ų | 62 | 34.4 Ų | 34.4 | 40% | 0.403 | 20% | 0.202 | S | C | . | . | trans | -65.9 | 146.7 | -179.6 | 28.3 | -35.5 | 0 | 0 | 0 | 112 | S170 H174 G175 V176 | S170-P172 WeakPolarHBondContact O-CD 3.4Å; P172-H174 PolarHBondContact O-N 3.24Å; P172-G175 PolarHBondContact O-N 3.28Å; P172-V176 WeakPolarHBondContact CD-O 3.38Å; P172-V176 WeakPolarHBondContact CG-O 3.33Å | ||
| 173 | D | 61.4 | Low | 88.2 | Confident | 40 Ų | 40 | 31.4 Ų | 31.4 | 21% | 0.214 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | 131.5 | 175.6 | -159.6 | 31.1 | 0 | 0 | 0 | 110.6 | E111 K116 G175 R211 | E111-D173 WeakPolarHBondContact OE2-CB 3.46Å; K116-D173 WeakPolarHBondContact CE-OD2 3.21Å; K116-D173 IonicContact NZ-OD1 3.51Å; K116-D173 IonicContact NZ-OD2 2.8Å; K116-D173 PolarHBondContact NZ-OD2 3.32Å; D173-G175 PolarHBondContact O-N 2.65Å; D173-R211 IonicContact OD1-CZ 2.55Å; D173-R211 IonicContact OD1-NH2 3.65Å; D173-R211 PolarHBondContact OD1-NH2 2.74Å |
| 174 | H | 62.9 | Low | 88.1 | Confident | 102 Ų | 102 | 31.2 Ų | 31.2 | 47% | 0.472 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 62 | -3.3 | -173.1 | -55.6 | -69.8 | 0 | 0 | 0 | 117.7 | P172 | P172-H174 PolarHBondContact O-N 3.24Š|
| 175 | G | 77.9 | Confident | 87.9 | Confident | 9 Ų | 9 | 32 Ų | 32 | 9% | 0.093 | 19% | 0.187 | C | C | . | . | S | Bend | trans | -100.7 | -158 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | W171 P172 D173 | W171-G175 PolarHBondContact NE1-O 3.06Å; W171-G175 VanDerWaalsContact NE1-O 3.15Å; P172-G175 PolarHBondContact O-N 3.28Å; D173-G175 PolarHBondContact O-N 2.65Å |
| 176 | V | 85.3 | Confident | 87.9 | Confident | 32 Ų | 32 | 32 Ų | 32 | 19% | 0.194 | 19% | 0.187 | C | C | . | . | trans | -125.6 | 156.9 | -179.5 | -60.3 | 0 | 0 | 0 | 0 | 111.9 | P172 E255 Q256 F259 | P172-V176 WeakPolarHBondContact CD-O 3.38Å; P172-V176 WeakPolarHBondContact CG-O 3.33Å; V176-E255 HydrophobicContact CG1-CB 4.17Å; V176-E255 HydrophobicContact CG1-CG 3.72Å; V176-E255 WeakPolarHBondContact CG1-O 3.39Å; V176-E255 HydrophobicContact CG2-CG 4.29Å; V176-Q256 HydrophobicContact CG1-CG 4.28Å; V176-F259 HydrophobicContact CB-CB 3.84Å; V176-F259 HydrophobicContact CB-CD2 3.85Å; V176-F259 HydrophobicContact CB-CG 3.83Å; V176-F259 HydrophobicContact CG1-CB 3.51Å; V176-F259 HydrophobicContact CG1-CD2 4.48Å; V176-F259 HydrophobicContact CG1-CG 4.01Å; V176-F259 HydrophobicContact CG2-CB 4.39Å; V176-F259 HydrophobicContact CG2-CD2 4.14Å; V176-F259 HydrophobicContact CG2-CG 4.49Å | ||
| 177 | P | 86.9 | Confident | 87.8 | Confident | 4 Ų | 4 | 32 Ų | 32 | 3% | 0.026 | 19% | 0.187 | C | C | . | . | trans | -59.4 | 146.2 | 171.4 | -20.7 | 35.5 | 0 | 0 | 0 | 110.6 | Y168 W171 S179 I183 F259 | Y168-P177 HydrophobicContact CE1-CB 4.3Å; W171-P177 HydrophobicContact CD2-CG 3.52Å; W171-P177 VanDerWaalsContact CE2-CG 3.49Å; W171-P177 HydrophobicContact CE3-CG 3.77Å; W171-P177 HydrophobicContact CG-CG 4.02Å; W171-P177 HydrophobicContact CH2-CG 3.98Å; W171-P177 HydrophobicContact CZ2-CG 3.74Å; W171-P177 HydrophobicContact CZ3-CG 4.01Å; P177-S179 PolarHBondContact O-N 2.87Å; P177-I183 HydrophobicContact CB-CD1 4.28Å; P177-I183 HydrophobicContact CB-CG1 4Å; P177-I183 HydrophobicContact CG-CD1 3.7Å; P177-I183 HydrophobicContact CG-CG1 3.69Å; P177-F259 HydrophobicContact CB-CE2 4.13Å; P177-F259 HydrophobicContact CB-CZ 3.88Å; P177-F259 HydrophobicContact CG-CE1 3.93Å; P177-F259 HydrophobicContact CG-CE2 4.23Å; P177-F259 HydrophobicContact CG-CZ 3.66Å; P177-F259 WeakPolarHBondContact O-CE2 3.33Å | ||
| 178 | S | 83.4 | Confident | 87.7 | Confident | 109 Ų | 109 | 35 Ų | 35 | 76% | 0.762 | 20% | 0.202 | S | C | * | . | S | Bend | trans | -66.8 | -24.9 | 174.6 | 51.4 | 0 | 0 | 0 | 0 | 112.8 | ||
| 179 | S | 87.6 | Confident | 87.8 | Confident | 23 Ų | 23 | 37.7 Ų | 37.7 | 16% | 0.161 | 21% | 0.214 | C | C | . | . | trans | -132.4 | 120.4 | -176.4 | 178.5 | 0 | 0 | 0 | 0 | 111.3 | P177 D181 H182 | P177-S179 PolarHBondContact O-N 2.87Å; S179-D181 WeakPolarHBondContact OG-CB 3.3Å; S179-D181 PolarHBondContact OG-N 3.41Å; S179-H182 PolarHBondContact OG-N 2.89Å | ||
| 180 | S | 91.4 | Very high | 88.1 | Confident | 10 Ų | 10 | 34.7 Ų | 34.7 | 7% | 0.07 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -67.9 | -26.4 | 167.4 | 43.5 | 0 | 0 | 0 | 0 | 112 | H182 I183 L184 H262 Q266 | S180-H182 PolarHBondContact O-N 3.49Å; S180-I183 PolarHBondContact O-N 3.44Å; S180-L184 WeakPolarHBondContact O-CG 3.23Å; S180-L184 PolarHBondContact O-N 3.1Å; S180-H262 PolarHBondContact OG-CE1 2.97Å; S180-H262 PolarHBondContact OG-ND1 2.65Å; S180-Q266 VanDerWaalsContact CB-OE1 3.3Å; S180-Q266 PolarHBondContact OG-OE1 3.39Å |
| 181 | D | 93.3 | Very high | 88.6 | Confident | 65 Ų | 65 | 35 Ų | 35 | 35% | 0.348 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -61.4 | -44.3 | 177.5 | -61.4 | -29.8 | 0 | 0 | 0 | 111.4 | S179 I183 L184 T185 Q266 R270 | S179-D181 WeakPolarHBondContact OG-CB 3.3Å; S179-D181 PolarHBondContact OG-N 3.41Å; D181-I183 VanDerWaalsContact C-N 3.32Å; D181-I183 PolarHBondContact O-N 3.42Å; D181-L184 PolarHBondContact O-N 2.86Å; D181-T185 PolarHBondContact O-N 3.47Å; D181-T185 PolarHBondContact O-OG1 3.26Å; D181-T185 VanDerWaalsContact O-OG1 3.08Å; D181-Q266 PolarHBondContact OD1-NE2 3.09Å; D181-R270 IonicContact OD1-CZ 3.42Å; D181-R270 IonicContact OD1-NH2 3.6Å; D181-R270 PolarHBondContact OD1-NH2 3.39Å |
| 182 | H | 94.2 | Very high | 89.1 | Confident | 48 Ų | 48 | 39 Ų | 39 | 22% | 0.222 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -65.9 | -37 | -180 | -63.7 | 169.9 | 0 | 0 | 0 | 111.6 | N144 D146 I147 Y168 S179 S180 T185 M186 | N144-H182 PolarHBondContact ND2-CD2 3.49Å; D146-H182 IonicContact OD2-CE1 3.8Å; D146-H182 PolarHBondContact OD2-CE1 3.26Å; D146-H182 IonicContact OD2-CG 2.59Å; D146-H182 IonicContact OD2-ND1 3.74Å; D146-H182 PolarHBondContact OD2-ND1 2.69Å; I147-H182 HydrophobicContact CD1-CB 4.36Å; I147-H182 WeakPolarHBondContact CD1-O 3.37Å; Y168-H182 HydrophobicContact CE2-CB 3.84Å; S179-H182 PolarHBondContact OG-N 2.89Å; S180-H182 PolarHBondContact O-N 3.49Å; H182-T185 PolarHBondContact O-N 3.46Å; H182-M186 PolarHBondContact O-N 2.96Å |
| 183 | I | 95.1 | Very high | 90 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -62.8 | -43.6 | 172.8 | -65.3 | -62.4 | 0 | 0 | 0 | 111.6 | Y168 W171 P177 S180 D181 M186 V187 L215 V218 F259 | Y168-I183 HydrophobicContact CD2-CD1 3.61Å; Y168-I183 HydrophobicContact CE2-CD1 3.48Å; Y168-I183 VanDerWaalsContact CE2-CD1 3.48Å; Y168-I183 HydrophobicContact CE2-CG1 4.11Å; Y168-I183 HydrophobicContact CG-CD1 4.41Å; W171-I183 HydrophobicContact CE3-CD1 3.83Å; W171-I183 HydrophobicContact CH2-CD1 4.1Å; W171-I183 HydrophobicContact CZ3-CD1 3.41Å; W171-I183 VanDerWaalsContact CZ3-CD1 3.41Å; P177-I183 HydrophobicContact CB-CD1 4.28Å; P177-I183 HydrophobicContact CB-CG1 4Å; P177-I183 HydrophobicContact CG-CD1 3.7Å; P177-I183 HydrophobicContact CG-CG1 3.69Å; S180-I183 PolarHBondContact O-N 3.44Å; D181-I183 VanDerWaalsContact C-N 3.32Å; D181-I183 PolarHBondContact O-N 3.42Å; I183-M186 WeakPolarHBondContact O-CB 3.48Å; I183-M186 PolarHBondContact O-N 3.01Å; I183-V187 WeakPolarHBondContact O-CG2 3.12Å; I183-V187 PolarHBondContact O-N 3.33Å; I183-L215 HydrophobicContact CD1-CD2 4.14Å; I183-L215 HydrophobicContact CG2-CD2 4.01Å; I183-V218 HydrophobicContact CG2-CG1 4.39Å; I183-V218 HydrophobicContact CG2-CG2 4.34Å; I183-F259 HydrophobicContact CG1-CE1 4.14Å; I183-F259 HydrophobicContact CG1-CZ 3.88Å |
| 184 | L | 95.8 | Very high | 91.7 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -61.8 | -45.4 | 176 | -68.2 | 176.8 | 0 | 0 | 0 | 111.2 | S180 D181 M186 V187 E188 V218 T263 L267 | S180-L184 WeakPolarHBondContact O-CG 3.23Å; S180-L184 PolarHBondContact O-N 3.1Å; D181-L184 PolarHBondContact O-N 2.86Å; L184-M186 VanDerWaalsContact C-N 3.32Å; L184-M186 PolarHBondContact O-N 3.33Å; L184-V187 PolarHBondContact O-N 3.3Å; L184-E188 WeakPolarHBondContact O-CB 3.37Å; L184-E188 VanDerWaalsContact O-CG 3.23Å; L184-E188 WeakPolarHBondContact O-CG 3.25Å; L184-E188 PolarHBondContact O-N 2.58Å; L184-V218 HydrophobicContact CD2-CG1 3.83Å; L184-T263 HydrophobicContact CD2-CG2 3.86Å; L184-T263 HydrophobicContact CG-CG2 4.09Å; L184-L267 HydrophobicContact CD2-CD1 4.01Å |
| 185 | T | 95.8 | Very high | 93.2 | Very high | 49 Ų | 49 | 33.8 Ų | 33.8 | 30% | 0.301 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -57.4 | -43.1 | 174 | -59 | 0 | 0 | 0 | 0 | 111.9 | D181 H182 V187 E188 E189 | D181-T185 PolarHBondContact O-N 3.47Å; D181-T185 PolarHBondContact O-OG1 3.26Å; D181-T185 VanDerWaalsContact O-OG1 3.08Å; H182-T185 PolarHBondContact O-N 3.46Å; T185-V187 PolarHBondContact O-N 3.5Å; T185-E188 PolarHBondContact O-N 3.22Å; T185-E189 WeakPolarHBondContact O-CB 3.49Å; T185-E189 PolarHBondContact O-N 3.27Å |
| 186 | M | 97.6 | Very high | 93.6 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -60.3 | -45.3 | 177.6 | -160.6 | -173.9 | -171.4 | 0 | 0 | 112 | L104 I147 L166 Y168 H182 I183 L184 A190 L215 | L104-M186 HydrophobicContact CB-CE 4.45Å; L104-M186 HydrophobicContact CD2-CE 3.64Å; L104-M186 HydrophobicContact CD2-CG 3.68Å; L104-M186 HydrophobicContact CD2-SD 3.85Å; I147-M186 HydrophobicContact CD1-CB 3.61Å; I147-M186 HydrophobicContact CD1-CG 4.04Å; I147-M186 HydrophobicContact CG2-CG 4.47Å; L166-M186 HydrophobicContact CB-CE 3.71Å; L166-M186 HydrophobicContact CB-CG 4.2Å; L166-M186 WeakPolarHBondContact O-CE 3.37Å; Y168-M186 HydrophobicContact CD2-SD 4.1Å; H182-M186 PolarHBondContact O-N 2.96Å; I183-M186 WeakPolarHBondContact O-CB 3.48Å; I183-M186 PolarHBondContact O-N 3.01Å; L184-M186 VanDerWaalsContact C-N 3.32Å; L184-M186 PolarHBondContact O-N 3.33Å; M186-A190 VanDerWaalsContact O-CB 3.27Å; M186-A190 WeakPolarHBondContact O-CB 3.22Å; M186-A190 PolarHBondContact O-N 3.31Å; M186-L215 HydrophobicContact SD-CD1 4.37Å; M186-L215 HydrophobicContact SD-CD2 4.21Å |
| 187 | V | 97.5 | Very high | 93.2 | Very high | 1 Ų | 1 | 41.7 Ų | 41.7 | 1% | 0.006 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -69 | -41 | -179.8 | 168.6 | 0 | 0 | 0 | 0 | 111.2 | I183 L184 T185 A190 R191 L215 V218 D219 | I183-V187 WeakPolarHBondContact O-CG2 3.12Å; I183-V187 PolarHBondContact O-N 3.33Å; L184-V187 PolarHBondContact O-N 3.3Å; T185-V187 PolarHBondContact O-N 3.5Å; V187-A190 PolarHBondContact O-N 3.06Å; V187-R191 PolarHBondContact O-N 3.45Å; V187-L215 HydrophobicContact CG2-CD2 4.38Å; V187-V218 HydrophobicContact CG2-CG1 4.14Å; V187-D219 HydrophobicContact CG1-CB 3.72Å; V187-D219 WeakPolarHBondContact CG1-OD1 3.37Å; V187-D219 HydrophobicContact CG2-CB 4.45Å |
| 188 | E | 96.6 | Very high | 93 | Very high | 68 Ų | 68 | 48.1 Ų | 48.1 | 32% | 0.318 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -60.3 | -50.2 | 175.7 | -75.5 | 165.2 | -177.7 | 0 | 0 | 111.4 | L184 T185 A190 R191 C192 | L184-E188 WeakPolarHBondContact O-CB 3.37Å; L184-E188 VanDerWaalsContact O-CG 3.23Å; L184-E188 WeakPolarHBondContact O-CG 3.25Å; L184-E188 PolarHBondContact O-N 2.58Å; T185-E188 PolarHBondContact O-N 3.22Å; E188-A190 PolarHBondContact O-N 3.27Å; E188-R191 PolarHBondContact O-N 2.9Å; E188-C192 PolarHBondContact O-N 3.49Å |
| 189 | E | 98.3 | Very high | 93.4 | Very high | 55 Ų | 55 | 43.8 Ų | 43.8 | 26% | 0.257 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -64.3 | -41.2 | 177.9 | -173.7 | 63 | -162.1 | 0 | 0 | 111.4 | L143 L166 T185 R191 C192 L193 | L143-E189 HydrophobicContact CD1-CB 4.14Å; L143-E189 HydrophobicContact CD1-CG 3.73Å; L166-E189 HydrophobicContact CD1-CB 4.43Å; L166-E189 HydrophobicContact CD1-CG 4.41Å; L166-E189 HydrophobicContact CD2-CG 4.11Å; T185-E189 WeakPolarHBondContact O-CB 3.49Å; T185-E189 PolarHBondContact O-N 3.27Å; E189-R191 VanDerWaalsContact C-N 3.27Å; E189-R191 PolarHBondContact O-N 3.23Å; E189-C192 WeakPolarHBondContact O-CB 3.49Å; E189-C192 PolarHBondContact O-N 2.99Å; E189-L193 HydrophobicContact CG-CD1 3.84Å; E189-L193 HydrophobicContact CG-CG 4.31Å; E189-L193 WeakPolarHBondContact O-CB 3.39Å; E189-L193 VanDerWaalsContact O-CG 3.32Å; E189-L193 WeakPolarHBondContact O-CG 3.41Å; E189-L193 PolarHBondContact O-N 3.48Å |
| 190 | A | 98.3 | Very high | 94 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -58.1 | -41 | 176 | 0 | 0 | 0 | 0 | 0 | 112.1 | V102 L104 L166 M186 V187 E188 Q194 | V102-A190 HydrophobicContact CG1-CB 3.88Å; L104-A190 HydrophobicContact CD1-CB 4.15Å; L104-A190 HydrophobicContact CD2-CB 3.86Å; L104-A190 HydrophobicContact CG-CB 4.2Å; L166-A190 HydrophobicContact CD1-CB 3.65Å; M186-A190 VanDerWaalsContact O-CB 3.27Å; M186-A190 WeakPolarHBondContact O-CB 3.22Å; M186-A190 PolarHBondContact O-N 3.31Å; V187-A190 PolarHBondContact O-N 3.06Å; E188-A190 PolarHBondContact O-N 3.27Å; A190-Q194 VanDerWaalsContact O-CB 3.25Å; A190-Q194 WeakPolarHBondContact O-CB 3.32Å; A190-Q194 PolarHBondContact O-N 3.5Å |
| 191 | R | 96.9 | Very high | 94.3 | Very high | 52 Ų | 52 | 42.7 Ų | 42.7 | 20% | 0.196 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -72.6 | -35.4 | 176.9 | -73.2 | -65.3 | -177.7 | -172.7 | -1.4 | 112.8 | V187 E188 E189 Q194 G195 D219 | V187-R191 PolarHBondContact O-N 3.45Å; E188-R191 PolarHBondContact O-N 2.9Å; E189-R191 VanDerWaalsContact C-N 3.27Å; E189-R191 PolarHBondContact O-N 3.23Å; R191-Q194 PolarHBondContact O-N 3.26Å; R191-G195 PolarHBondContact O-N 3.41Å; R191-D219 WeakPolarHBondContact CG-OD1 3.44Å; R191-D219 IonicContact CZ-OD1 3.56Å; R191-D219 IonicContact CZ-OD2 3.61Å; R191-D219 IonicContact NE-OD1 3.17Å; R191-D219 PolarHBondContact NE-OD1 3.04Å; R191-D219 IonicContact NE-OD2 3.62Å; R191-D219 PolarHBondContact NE-OD2 3.45Å; R191-D219 IonicContact NH2-OD1 2.8Å; R191-D219 IonicContact NH2-OD2 2.86Å; R191-D219 PolarHBondContact NH2-OD2 3.39Å |
| 192 | C | 97.2 | Very high | 94.6 | Very high | 91 Ų | 91 | 39.6 Ų | 39.6 | 62% | 0.615 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -58.3 | -50.9 | 171.8 | -172.5 | 0 | 0 | 0 | 0 | 111.1 | E188 E189 Q194 G195 | E188-C192 PolarHBondContact O-N 3.49Å; E189-C192 WeakPolarHBondContact O-CB 3.49Å; E189-C192 PolarHBondContact O-N 2.99Å; C192-Q194 PolarHBondContact O-N 3.08Å; C192-G195 PolarHBondContact O-N 3.29Å |
| 193 | L | 97.5 | Very high | 94.8 | Very high | 41 Ų | 41 | 37.4 Ų | 37.4 | 22% | 0.215 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -68.9 | -31.8 | -179.4 | -66 | 168.9 | 0 | 0 | 0 | 113.2 | V102 L149 H164 L166 E189 G195 | V102-L193 HydrophobicContact CG2-CB 3.78Å; L149-L193 HydrophobicContact CD1-CD1 3.71Å; L149-L193 HydrophobicContact CD2-CD1 4.22Å; H164-L193 HydrophobicContact CB-CB 4.45Å; H164-L193 HydrophobicContact CB-CD1 3.83Å; L166-L193 HydrophobicContact CD1-CD1 4.32Å; E189-L193 HydrophobicContact CG-CD1 3.84Å; E189-L193 HydrophobicContact CG-CG 4.31Å; E189-L193 WeakPolarHBondContact O-CB 3.39Å; E189-L193 VanDerWaalsContact O-CG 3.32Å; E189-L193 WeakPolarHBondContact O-CG 3.41Å; E189-L193 PolarHBondContact O-N 3.48Å; L193-G195 VanDerWaalsContact C-N 3.33Å |
| 194 | Q | 96.9 | Very high | 95 | Very high | 4 Ų | 4 | 37.4 Ų | 37.4 | 2% | 0.019 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -64.9 | -39.1 | 175.3 | -179.6 | 64.4 | 29.9 | 0 | 0 | 111.6 | V102 A190 R191 C192 G197 G199 L201 | V102-Q194 HydrophobicContact CG2-CB 4.12Å; A190-Q194 VanDerWaalsContact O-CB 3.25Å; A190-Q194 WeakPolarHBondContact O-CB 3.32Å; A190-Q194 PolarHBondContact O-N 3.5Å; R191-Q194 PolarHBondContact O-N 3.26Å; C192-Q194 PolarHBondContact O-N 3.08Å; Q194-G197 PolarHBondContact NE2-O 3.11Å; Q194-G199 PolarHBondContact NE2-O 2.82Å; Q194-L201 HydrophobicContact CB-CD2 4.19Å; Q194-L201 HydrophobicContact CG-CD2 4.25Å |
| 195 | G | 94.4 | Very high | 95 | Very high | 48 Ų | 48 | 37.6 Ų | 37.6 | 50% | 0.495 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.8 | -149 | -174.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | R191 C192 L193 G197 | R191-G195 PolarHBondContact O-N 3.41Å; C192-G195 PolarHBondContact O-N 3.29Å; L193-G195 VanDerWaalsContact C-N 3.33Å; G195-G197 PolarHBondContact O-N 3.02Å |
| 196 | L | 86.1 | Confident | 95.1 | Very high | 189 Ų | 189 | 35.4 Ų | 35.4 | 99% | 0.99 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82.4 | 13.1 | -180 | -59.8 | 176.4 | 0 | 0 | 0 | 113.9 | ||
| 197 | G | 76.8 | Confident | 95.1 | Very high | 18 Ų | 18 | 36.1 Ų | 36.1 | 19% | 0.186 | 22% | 0.221 | C | C | . | . | trans | -74.9 | 139.3 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113 | Q194 G195 G199 | Q194-G197 PolarHBondContact NE2-O 3.11Å; G195-G197 PolarHBondContact O-N 3.02Å; G197-G199 VanDerWaalsContact C-N 3.28Å; G197-G199 PolarHBondContact O-N 2.82Å | ||
| 198 | P | 82.2 | Confident | 95.1 | Very high | 139 Ų | 139 | 36 Ų | 36 | 90% | 0.903 | 22% | 0.22 | S | C | * | . | trans | -77.7 | -6.5 | -176.7 | 32.6 | -37.2 | 0 | 0 | 0 | 114.5 | ||||
| 199 | G | 93.3 | Very high | 95.2 | Very high | 19 Ų | 19 | 32.8 Ų | 32.8 | 20% | 0.196 | 21% | 0.205 | C | C | . | . | S | Bend | trans | -68.4 | 149.5 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q194 G197 | Q194-G199 PolarHBondContact NE2-O 2.82Å; G197-G199 VanDerWaalsContact C-N 3.28Å; G197-G199 PolarHBondContact O-N 2.82Å |
| 200 | P | 98.3 | Very high | 95.1 | Very high | 9 Ų | 9 | 30.3 Ų | 30.3 | 6% | 0.058 | 19% | 0.194 | C | C | . | . | P | Polyproline II helix | trans | -68.8 | 153 | 179.6 | 25.6 | -30.8 | 0 | 0 | 0 | 112.5 | Q75 A76 I78 F98 V100 | Q75-P200 WeakPolarHBondContact O-CB 3.48Å; A76-P200 WeakPolarHBondContact O-CA 3.35Å; I78-P200 HydrophobicContact CD1-CB 4.27Å; I78-P200 HydrophobicContact CD1-CG 3.55Å; I78-P200 HydrophobicContact CG1-CB 3.97Å; I78-P200 HydrophobicContact CG1-CG 3.79Å; F98-P200 HydrophobicContact CB-CG 4.11Å; F98-P200 WeakPolarHBondContact O-CD 3.27Å; V100-P200 HydrophobicContact CG2-CG 4.14Å |
| 201 | L | 98.8 | Very high | 95 | Very high | 1 Ų | 1 | 30.5 Ų | 30.5 | 1% | 0.005 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 126.7 | 159.1 | -64.3 | 178.3 | 0 | 0 | 0 | 108.8 | A76 Y77 I78 V102 L104 Q194 V203 | A76-L201 PolarHBondContact O-N 3.39Å; Y77-L201 CarbonylContact C-O 3.53Å; Y77-L201 WeakPolarHBondContact CA-O 3.08Å; Y77-L201 HydrophobicContact CD1-CB 4.19Å; Y77-L201 HydrophobicContact CD1-CD1 4.32Å; Y77-L201 HydrophobicContact CE1-CD1 4.19Å; I78-L201 PolarHBondContact N-O 2.82Å; V102-L201 HydrophobicContact CB-CD2 3.74Å; V102-L201 HydrophobicContact CG1-CD2 4.15Å; V102-L201 HydrophobicContact CG2-CD2 4.42Å; L104-L201 HydrophobicContact CD1-CD1 4.26Å; Q194-L201 HydrophobicContact CB-CD2 4.19Å; Q194-L201 HydrophobicContact CG-CD2 4.25Å; L201-V203 HydrophobicContact CB-CG2 4.16Å |
| 202 | C | 98.9 | Very high | 95.1 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 116.9 | 170.5 | -178.4 | 0 | 0 | 0 | 0 | 108.8 | V100 V102 I103 L104 | V100-C202 HydrophobicContact CB-CB 4.46Å; V100-C202 HydrophobicContact CG1-CB 3.53Å; V100-C202 HydrophobicContact CG2-CB 4.1Å; V102-C202 PolarHBondContact O-N 3.27Å; I103-C202 CarbonylContact C-O 3.54Å; I103-C202 VanDerWaalsContact CA-O 3.28Å; I103-C202 WeakPolarHBondContact CA-O 3.34Å; I103-C202 HydrophobicContact CG1-CB 4.16Å; L104-C202 PolarHBondContact N-O 3.46Å |
| 203 | V | 98.9 | Very high | 95.1 | Very high | 1 Ų | 1 | 23.8 Ų | 23.8 | 1% | 0.006 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 126.4 | -175 | -165.8 | 0 | 0 | 0 | 0 | 108.9 | Y77 I78 A79 T80 L104 L201 T212 L215 | Y77-V203 HydrophobicContact CD1-CG2 4.49Å; I78-V203 PolarHBondContact O-N 2.68Å; A79-V203 WeakPolarHBondContact CA-O 3.31Å; T80-V203 PolarHBondContact N-O 3.2Å; T80-V203 VanDerWaalsContact N-O 3.08Å; L104-V203 HydrophobicContact CB-CB 4.42Å; L104-V203 HydrophobicContact CB-CG1 4Å; L104-V203 HydrophobicContact CB-CG2 4.31Å; L104-V203 HydrophobicContact CD1-CG2 3.94Å; L104-V203 WeakPolarHBondContact O-CA 3.46Å; L201-V203 HydrophobicContact CB-CG2 4.16Å; V203-T212 HydrophobicContact CB-CG2 4.01Å; V203-T212 HydrophobicContact CG1-CG2 3.86Å; V203-T212 WeakPolarHBondContact O-CG2 3.48Å; V203-L215 HydrophobicContact CG1-CB 3.9Å; V203-L215 HydrophobicContact CG1-CD1 3.94Å |
| 204 | H | 98.8 | Very high | 95.2 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 161.9 | 178.3 | 82.2 | 90.7 | 0 | 0 | 0 | 112.7 | T80 L104 M105 A106 Y120 T212 | T80-H204 HydrophobicContact CG2-CB 3.72Å; T80-H204 WeakPolarHBondContact O-CA 2.94Å; T80-H204 WeakPolarHBondContact O-CB 3.35Å; L104-H204 PolarHBondContact O-N 3.43Å; M105-H204 WeakPolarHBondContact CB-NE2 3.37Å; M105-H204 WeakPolarHBondContact CG-CE1 3.46Å; A106-H204 PolarHBondContact N-O 3.09Å; Y120-H204 AromaticContact CE1-CE1 3.59Å; Y120-H204 AromaticContact CE1-NE2 3.27Å; Y120-H204 VanDerWaalsContact CE1-NE2 3.27Å; Y120-H204 WeakPolarHBondContact CE1-NE2 3.42Å; Y120-H204 AromaticContact CZ-NE2 3.33Å; Y120-H204 VanDerWaalsContact CZ-NE2 3.33Å; Y120-H204 PolarHBondContact OH-NE2 3.37Å; H204-T212 VanDerWaalsContact C-OG1 3.27Å; H204-T212 WeakPolarHBondContact CA-OG1 3.36Å |
| 205 | C | 96.7 | Very high | 95.3 | Very high | 5 Ų | 5 | 21.7 Ų | 21.7 | 3% | 0.034 | 15% | 0.146 | C | C | . | . | trans | -132.1 | -129.6 | 164.3 | 63.8 | 0 | 0 | 0 | 0 | 106.9 | G82 A106 C107 G208 R211 T212 | G82-C205 WeakPolarHBondContact CA-O 3.4Å; G82-C205 PolarHBondContact N-O 2.86Å; A106-C205 HydrophobicContact CB-CB 4.17Å; C107-C205 HydrophobicContact CB-CB 4.32Å; C107-C205 PolarHBondContact SG-O 3.24Å; C107-C205 VanDerWaalsContact SG-O 3.41Å; C205-G208 PolarHBondContact SG-N 2.84Å; C205-G208 VanDerWaalsContact SG-N 3.36Å; C205-R211 HydrophobicContact CB-CB 3.96Å; C205-T212 PolarHBondContact N-OG1 3.01Å; C205-T212 VanDerWaalsContact N-OG1 3.17Å; C205-T212 PolarHBondContact SG-OG1 3.07Å | ||
| 206 | S | 97.7 | Very high | 95.5 | Very high | 3 Ų | 3 | 19.5 Ų | 19.5 | 2% | 0.021 | 12% | 0.123 | C | C | . | . | S | Bend | trans | -84 | -60 | 168.5 | -166.6 | 0 | 0 | 0 | 0 | 112.3 | R37 Y38 Q81 G82 K116 | R37-S206 WeakPolarHBondContact CD-OG 3.25Å; Y38-S206 PolarHBondContact OH-OG 2.84Å; Q81-S206 WeakPolarHBondContact CA-O 3.25Å; Q81-S206 WeakPolarHBondContact CB-O 3.41Å; G82-S206 PolarHBondContact N-O 2.7Å; K116-S206 WeakPolarHBondContact CA-OG 3.22Å; K116-S206 WeakPolarHBondContact CD-OG 3.47Å; K116-S206 WeakPolarHBondContact O-CA 3.43Å; K116-S206 WeakPolarHBondContact O-CB 3.29Å; K116-S206 PolarHBondContact O-OG 2.8Å |
| 207 | A | 97.6 | Very high | 96.1 | Very high | 14 Ų | 14 | 10.5 Ų | 10.5 | 12% | 0.116 | 8% | 0.076 | C | C | . | . | S | Bend | trans | -84.9 | -15 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y38 V41 C209 R247 | Y38-A207 HydrophobicContact CD2-CB 3.62Å; Y38-A207 HydrophobicContact CE2-CB 3.68Å; V41-A207 HydrophobicContact CG2-CB 4.33Å; A207-C209 HydrophobicContact CB-CB 4.3Å; A207-C209 PolarHBondContact O-SG 2.81Å; A207-C209 VanDerWaalsContact O-SG 3.4Å; A207-R247 PolarHBondContact O-NH2 2.95Å |
| 208 | G | 97.9 | Very high | 97.1 | Very high | 0 Ų | 0 | 9.7 Ų | 9.7 | 0% | 0 | 7% | 0.067 | C | C | . | . | S | Bend | trans | 69.5 | 33.8 | -172.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | T80 C205 T212 R247 | T80-G208 WeakPolarHBondContact O-CA 3.38Å; C205-G208 PolarHBondContact SG-N 2.84Å; C205-G208 VanDerWaalsContact SG-N 3.36Å; G208-T212 WeakPolarHBondContact CA-OG1 3.39Å; G208-R247 WeakPolarHBondContact O-CG 3.47Å; G208-R247 PolarHBondContact O-NE 2.93Å |
| 209 | C | 97.5 | Very high | 97.9 | Very high | 0 Ų | 0 | 3.2 Ų | 3.2 | 0% | 0 | 3% | 0.025 | C | C | . | . | S | Bend | trans | -123.3 | -86.9 | -172.3 | -61 | 0 | 0 | 0 | 0 | 111.4 | V41 A207 G213 P248 A249 | V41-C209 WeakPolarHBondContact CG1-SG 3.37Å; A207-C209 HydrophobicContact CB-CB 4.3Å; A207-C209 PolarHBondContact O-SG 2.81Å; A207-C209 VanDerWaalsContact O-SG 3.4Å; C209-G213 WeakPolarHBondContact O-CA 3.4Å; C209-G213 PolarHBondContact O-N 3.32Å; C209-P248 PolarHBondContact SG-O 3.4Å; C209-A249 HydrophobicContact CB-CB 4.29Å |
| 210 | G | 96.1 | Very high | 98.2 | Very high | 2 Ų | 2 | 4.8 Ų | 4.8 | 2% | 0.021 | 3% | 0.026 | C | C | . | . | H | α-helix | trans | -61.2 | -71.2 | -171.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | T212 G213 V214 | G210-T212 VanDerWaalsContact C-N 3.29Å; G210-T212 PolarHBondContact O-N 2.77Å; G210-G213 PolarHBondContact O-N 3.42Å; G210-G213 VanDerWaalsContact O-N 3.11Å; G210-V214 PolarHBondContact O-N 2.75Å |
| 211 | R | 97 | Very high | 98.2 | Very high | 5 Ų | 5 | 4.4 Ų | 4.4 | 2% | 0.019 | 2% | 0.023 | C | C | . | . | H | α-helix | trans | -58.2 | -40.9 | -179.3 | -56.9 | -179.1 | -94.3 | 179.6 | -16.2 | 112.3 | A106 C107 E111 W171 D173 C205 V214 L215 | A106-R211 HydrophobicContact CB-CB 3.84Å; A106-R211 VanDerWaalsContact O-CD 3.22Å; A106-R211 WeakPolarHBondContact O-CD 3.37Å; A106-R211 PolarHBondContact O-NE 2.78Å; A106-R211 PolarHBondContact O-NH1 2.87Å; C107-R211 VanDerWaalsContact CB-NH1 3.31Å; E111-R211 IonicContact OE1-CZ 3.97Å; E111-R211 IonicContact OE1-NH1 3.45Å; E111-R211 PolarHBondContact OE1-NH1 3.26Å; E111-R211 IonicContact OE1-NH2 3.26Å; E111-R211 PolarHBondContact OE1-NH2 2.83Å; E111-R211 IonicContact OE2-CZ 3.86Å; E111-R211 IonicContact OE2-NH1 3.6Å; E111-R211 IonicContact OE2-NH2 2.73Å; E111-R211 PolarHBondContact OE2-NH2 3.3Å; W171-R211 HydrophobicContact CD2-CB 4.12Å; W171-R211 HydrophobicContact CD2-CG 3.85Å; W171-R211 HydrophobicContact CE3-CB 4.27Å; W171-R211 HydrophobicContact CG-CG 4.15Å; W171-R211 HydrophobicContact CH2-CB 4.14Å; W171-R211 HydrophobicContact CZ2-CB 3.97Å; W171-R211 HydrophobicContact CZ2-CG 3.93Å; W171-R211 HydrophobicContact CZ3-CB 4.28Å; W171-R211 PolarHBondContact O-NH1 3.15Å; D173-R211 IonicContact OD1-CZ 2.55Å; D173-R211 IonicContact OD1-NH2 3.65Å; D173-R211 PolarHBondContact OD1-NH2 2.74Å; C205-R211 HydrophobicContact CB-CB 3.96Å; R211-V214 PolarHBondContact O-N 3.07Å; R211-L215 PolarHBondContact O-N 3.28Å; R211-L215 VanDerWaalsContact O-N 3.08Å |
| 212 | T | 98.6 | Very high | 98.1 | Very high | 1 Ų | 1 | 6.2 Ų | 6.2 | 1% | 0.006 | 3% | 0.03 | C | C | . | . | H | α-helix | trans | -57.1 | -50.1 | 172.7 | -60.1 | 0 | 0 | 0 | 0 | 112.2 | A79 V203 H204 C205 G208 G210 V214 L215 C216 | A79-T212 HydrophobicContact CB-CG2 3.67Å; V203-T212 HydrophobicContact CB-CG2 4.01Å; V203-T212 HydrophobicContact CG1-CG2 3.86Å; V203-T212 WeakPolarHBondContact O-CG2 3.48Å; H204-T212 VanDerWaalsContact C-OG1 3.27Å; H204-T212 WeakPolarHBondContact CA-OG1 3.36Å; C205-T212 PolarHBondContact N-OG1 3.01Å; C205-T212 VanDerWaalsContact N-OG1 3.17Å; C205-T212 PolarHBondContact SG-OG1 3.07Å; G208-T212 WeakPolarHBondContact CA-OG1 3.39Å; G210-T212 VanDerWaalsContact C-N 3.29Å; G210-T212 PolarHBondContact O-N 2.77Å; T212-V214 VanDerWaalsContact C-N 3.31Å; T212-V214 PolarHBondContact O-N 3.26Å; T212-L215 PolarHBondContact O-N 3.48Å; T212-C216 PolarHBondContact O-N 3.3Å; T212-C216 PolarHBondContact O-SG 3.19Å; T212-C216 VanDerWaalsContact O-SG 3.39Å |
| 213 | G | 98.3 | Very high | 98 | Very high | 1 Ų | 1 | 8.3 Ų | 8.3 | 1% | 0.01 | 4% | 0.039 | C | C | . | . | H | α-helix | trans | -63.7 | -35.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | C209 G210 A217 | C209-G213 WeakPolarHBondContact O-CA 3.4Å; C209-G213 PolarHBondContact O-N 3.32Å; G210-G213 PolarHBondContact O-N 3.42Å; G210-G213 VanDerWaalsContact O-N 3.11Å; G213-A217 WeakPolarHBondContact O-CB 3.2Å; G213-A217 PolarHBondContact O-N 3.31Å |
| 214 | V | 98.3 | Very high | 97.8 | Very high | 0 Ų | 0 | 8.9 Ų | 8.9 | 0% | 0 | 4% | 0.043 | C | C | . | . | H | α-helix | trans | -62.5 | -49.4 | 173.6 | 174.3 | 0 | 0 | 0 | 0 | 110.6 | W171 G210 R211 T212 C216 A217 V218 V251 Q256 F259 L260 | W171-V214 HydrophobicContact CH2-CB 3.83Å; W171-V214 HydrophobicContact CH2-CG1 3.7Å; W171-V214 HydrophobicContact CZ2-CB 4.16Å; W171-V214 HydrophobicContact CZ2-CG1 4.13Å; W171-V214 HydrophobicContact CZ2-CG2 4.4Å; G210-V214 PolarHBondContact O-N 2.75Å; R211-V214 PolarHBondContact O-N 3.07Å; T212-V214 VanDerWaalsContact C-N 3.31Å; T212-V214 PolarHBondContact O-N 3.26Å; V214-C216 PolarHBondContact O-N 3.19Å; V214-A217 PolarHBondContact O-N 3.5Å; V214-V218 HydrophobicContact CG1-CG2 4.29Å; V214-V218 WeakPolarHBondContact O-CG2 3.48Å; V214-V218 PolarHBondContact O-N 3.25Å; V214-V251 HydrophobicContact CG2-CG1 4.28Å; V214-V251 HydrophobicContact CG2-CG2 4.1Å; V214-Q256 HydrophobicContact CG2-CB 3.88Å; V214-Q256 HydrophobicContact CG2-CG 4.33Å; V214-F259 HydrophobicContact CG1-CD1 4.07Å; V214-F259 HydrophobicContact CG1-CE1 4.17Å; V214-L260 HydrophobicContact CG1-CD1 4.41Å |
| 215 | L | 98.7 | Very high | 97.7 | Very high | 1 Ų | 1 | 10.1 Ų | 10.1 | 1% | 0.005 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -60.3 | -46 | 178.2 | -72.5 | 178.6 | 0 | 0 | 0 | 112.3 | L104 A106 W171 I183 M186 V187 V203 R211 T212 A217 V218 D219 | L104-L215 HydrophobicContact CB-CD1 4.22Å; A106-L215 HydrophobicContact CB-CD1 3.81Å; W171-L215 HydrophobicContact CH2-CG 4.47Å; W171-L215 HydrophobicContact CZ3-CD1 4.49Å; W171-L215 HydrophobicContact CZ3-CD2 4.09Å; W171-L215 HydrophobicContact CZ3-CG 4.02Å; I183-L215 HydrophobicContact CD1-CD2 4.14Å; I183-L215 HydrophobicContact CG2-CD2 4.01Å; M186-L215 HydrophobicContact SD-CD1 4.37Å; M186-L215 HydrophobicContact SD-CD2 4.21Å; V187-L215 HydrophobicContact CG2-CD2 4.38Å; V203-L215 HydrophobicContact CG1-CB 3.9Å; V203-L215 HydrophobicContact CG1-CD1 3.94Å; R211-L215 PolarHBondContact O-N 3.28Å; R211-L215 VanDerWaalsContact O-N 3.08Å; T212-L215 PolarHBondContact O-N 3.48Å; L215-A217 VanDerWaalsContact C-N 3.34Å; L215-A217 PolarHBondContact O-N 3Å; L215-V218 PolarHBondContact O-N 2.86Å; L215-D219 WeakPolarHBondContact O-CB 3.36Å; L215-D219 PolarHBondContact O-N 3.34Å |
| 216 | C | 98.8 | Very high | 97.5 | Very high | 1 Ų | 1 | 14.7 Ų | 14.7 | 1% | 0.007 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -59.6 | -43.9 | 175.4 | -68 | 0 | 0 | 0 | 0 | 111.6 | T212 V214 Y220 M243 | T212-C216 PolarHBondContact O-N 3.3Å; T212-C216 PolarHBondContact O-SG 3.19Å; T212-C216 VanDerWaalsContact O-SG 3.39Å; V214-C216 PolarHBondContact O-N 3.19Å; C216-Y220 VanDerWaalsContact O-CB 3.23Å; C216-Y220 WeakPolarHBondContact O-CB 3.46Å; C216-Y220 PolarHBondContact O-N 2.85Å; C216-M243 HydrophobicContact CB-CE 4.15Å; C216-M243 HydrophobicContact CB-SD 4.07Å |
| 217 | A | 98.7 | Very high | 97.3 | Very high | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -68.1 | -42.3 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | G213 V214 L215 Y220 V221 M243 L260 | G213-A217 WeakPolarHBondContact O-CB 3.2Å; G213-A217 PolarHBondContact O-N 3.31Å; V214-A217 PolarHBondContact O-N 3.5Å; L215-A217 VanDerWaalsContact C-N 3.34Å; L215-A217 PolarHBondContact O-N 3Å; A217-Y220 PolarHBondContact O-N 3.09Å; A217-V221 VanDerWaalsContact O-CG2 3.29Å; A217-V221 WeakPolarHBondContact O-CG2 3.32Å; A217-V221 PolarHBondContact O-N 3.06Å; A217-M243 HydrophobicContact CB-CE 4.16Å; A217-M243 HydrophobicContact CB-SD 3.81Å; A217-L260 HydrophobicContact CB-CD1 3.74Å; A217-L260 HydrophobicContact CB-CD2 3.64Å; A217-L260 HydrophobicContact CB-CG 4.34Å |
| 218 | V | 98.5 | Very high | 97.1 | Very high | 1 Ų | 1 | 25.8 Ų | 25.8 | 1% | 0.006 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -59.6 | -49.8 | 175.1 | 171.3 | 0 | 0 | 0 | 0 | 110.1 | I183 L184 V187 V214 L215 V221 R222 L260 T263 | I183-V218 HydrophobicContact CG2-CG1 4.39Å; I183-V218 HydrophobicContact CG2-CG2 4.34Å; L184-V218 HydrophobicContact CD2-CG1 3.83Å; V187-V218 HydrophobicContact CG2-CG1 4.14Å; V214-V218 HydrophobicContact CG1-CG2 4.29Å; V214-V218 WeakPolarHBondContact O-CG2 3.48Å; V214-V218 PolarHBondContact O-N 3.25Å; L215-V218 PolarHBondContact O-N 2.86Å; V218-V221 PolarHBondContact O-N 2.94Å; V218-R222 WeakPolarHBondContact O-CB 3.29Å; V218-R222 PolarHBondContact O-N 3.32Å; V218-L260 HydrophobicContact CG2-CD1 3.5Å; V218-T263 HydrophobicContact CG1-CG2 4.11Å; V218-T263 HydrophobicContact CG2-CG2 3.83Å |
| 219 | D | 98.6 | Very high | 97 | Very high | 3 Ų | 3 | 29.3 Ų | 29.3 | 2% | 0.016 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -62.8 | -46.3 | 178.5 | 176.6 | 84.5 | 0 | 0 | 0 | 112.2 | Y77 V187 R191 L215 V221 R222 Q223 | Y77-D219 HydrophobicContact CE1-CB 4.28Å; Y77-D219 WeakPolarHBondContact CE1-OD2 3.24Å; Y77-D219 VanDerWaalsContact CZ-OD2 3.26Å; Y77-D219 PolarHBondContact OH-OD2 2.94Å; V187-D219 HydrophobicContact CG1-CB 3.72Å; V187-D219 WeakPolarHBondContact CG1-OD1 3.37Å; V187-D219 HydrophobicContact CG2-CB 4.45Å; R191-D219 WeakPolarHBondContact CG-OD1 3.44Å; R191-D219 IonicContact CZ-OD1 3.56Å; R191-D219 IonicContact CZ-OD2 3.61Å; R191-D219 IonicContact NE-OD1 3.17Å; R191-D219 PolarHBondContact NE-OD1 3.04Å; R191-D219 IonicContact NE-OD2 3.62Å; R191-D219 PolarHBondContact NE-OD2 3.45Å; R191-D219 IonicContact NH2-OD1 2.8Å; R191-D219 IonicContact NH2-OD2 2.86Å; R191-D219 PolarHBondContact NH2-OD2 3.39Å; L215-D219 WeakPolarHBondContact O-CB 3.36Å; L215-D219 PolarHBondContact O-N 3.34Å; D219-V221 VanDerWaalsContact C-N 3.33Å; D219-V221 PolarHBondContact O-N 3.38Å; D219-R222 CarbonylContact O-C 3.6Å; D219-R222 WeakPolarHBondContact O-CA 3.36Å; D219-R222 WeakPolarHBondContact O-CB 3.48Å; D219-R222 PolarHBondContact O-N 3.46Å; D219-R222 VanDerWaalsContact O-N 3.09Å; D219-Q223 WeakPolarHBondContact O-CG 3.38Å; D219-Q223 PolarHBondContact O-N 2.76Å |
| 220 | Y | 98.6 | Very high | 96.9 | Very high | 53 Ų | 53 | 31.7 Ų | 31.7 | 21% | 0.208 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -55.2 | -47.9 | 178.3 | -178.6 | -84.4 | 0 | 0 | 0 | 111.8 | G70 I71 Y77 C216 A217 R222 Q223 L224 V239 M243 | G70-Y220 VanDerWaalsContact C-CE2 3.49Å; I71-Y220 HydrophobicContact CB-CE2 4.36Å; I71-Y220 HydrophobicContact CG2-CD1 4.24Å; I71-Y220 HydrophobicContact CG2-CD2 3.85Å; I71-Y220 HydrophobicContact CG2-CE1 4.09Å; I71-Y220 HydrophobicContact CG2-CE2 3.69Å; I71-Y220 HydrophobicContact CG2-CG 4.12Å; I71-Y220 WeakPolarHBondContact CG2-O 3.39Å; Y77-Y220 HydrophobicContact CE2-CD2 4.45Å; Y77-Y220 WeakPolarHBondContact OH-CA 3.29Å; Y77-Y220 PolarHBondContact OH-N 3.33Å; C216-Y220 VanDerWaalsContact O-CB 3.23Å; C216-Y220 WeakPolarHBondContact O-CB 3.46Å; C216-Y220 PolarHBondContact O-N 2.85Å; A217-Y220 PolarHBondContact O-N 3.09Å; Y220-R222 VanDerWaalsContact C-N 3.35Å; Y220-Q223 PolarHBondContact O-N 3.24Å; Y220-L224 HydrophobicContact CD1-CD1 4.07Å; Y220-L224 HydrophobicContact CD1-CG 4.37Å; Y220-L224 HydrophobicContact CE1-CD1 3.64Å; Y220-L224 HydrophobicContact CE1-CG 4.07Å; Y220-L224 PolarHBondContact O-N 3.49Å; Y220-V239 HydrophobicContact CD1-CG1 3.91Å; Y220-V239 HydrophobicContact CD1-CG2 4.38Å; Y220-V239 HydrophobicContact CE1-CG1 4.31Å; Y220-V239 HydrophobicContact CE1-CG2 4.17Å; Y220-M243 HydrophobicContact CD2-CE 4.25Å; Y220-M243 HydrophobicContact CG-CE 3.98Å |
| 221 | V | 98.4 | Very high | 96.8 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -67.3 | -37 | 178.3 | 176.3 | 0 | 0 | 0 | 0 | 111.4 | A217 V218 D219 Q223 L224 L225 F234 L236 V264 F268 | A217-V221 VanDerWaalsContact O-CG2 3.29Å; A217-V221 WeakPolarHBondContact O-CG2 3.32Å; A217-V221 PolarHBondContact O-N 3.06Å; V218-V221 PolarHBondContact O-N 2.94Å; D219-V221 VanDerWaalsContact C-N 3.33Å; D219-V221 PolarHBondContact O-N 3.38Å; V221-Q223 VanDerWaalsContact C-N 3.33Å; V221-Q223 PolarHBondContact O-N 3.04Å; V221-L224 WeakPolarHBondContact O-CB 3.29Å; V221-L224 PolarHBondContact O-N 2.94Å; V221-L225 PolarHBondContact O-N 3.42Å; V221-F234 HydrophobicContact CG1-CE2 4.37Å; V221-F234 HydrophobicContact CG1-CZ 3.9Å; V221-F234 HydrophobicContact CG2-CE2 4.03Å; V221-F234 HydrophobicContact CG2-CZ 3.75Å; V221-L236 HydrophobicContact CG2-CD1 4.12Å; V221-V264 HydrophobicContact CB-CG2 4.27Å; V221-V264 HydrophobicContact CG1-CG1 3.86Å; V221-V264 HydrophobicContact CG1-CG2 4.1Å; V221-V264 HydrophobicContact CG2-CG2 4.29Å; V221-F268 HydrophobicContact CG1-CE1 3.71Å; V221-F268 HydrophobicContact CG1-CZ 4.34Å |
| 222 | R | 97.2 | Very high | 96.5 | Very high | 40 Ų | 40 | 40.8 Ų | 40.8 | 15% | 0.151 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -60.4 | -42.5 | 173 | -173.2 | 179.3 | 178 | -78.7 | -4.8 | 111.9 | V218 D219 Y220 L225 L226 L267 | V218-R222 WeakPolarHBondContact O-CB 3.29Å; V218-R222 PolarHBondContact O-N 3.32Å; D219-R222 CarbonylContact O-C 3.6Å; D219-R222 WeakPolarHBondContact O-CA 3.36Å; D219-R222 WeakPolarHBondContact O-CB 3.48Å; D219-R222 PolarHBondContact O-N 3.46Å; D219-R222 VanDerWaalsContact O-N 3.09Å; Y220-R222 VanDerWaalsContact C-N 3.35Å; R222-L225 WeakPolarHBondContact O-CB 3.5Å; R222-L225 PolarHBondContact O-N 2.91Å; R222-L226 HydrophobicContact CG-CD1 4.24Å; R222-L226 HydrophobicContact CG-CG 4.42Å; R222-L226 WeakPolarHBondContact O-CG 3.33Å; R222-L226 PolarHBondContact O-N 2.78Å; R222-L267 HydrophobicContact CB-CD2 3.74Å; R222-L267 HydrophobicContact CG-CD1 4.38Å; R222-L267 HydrophobicContact CG-CD2 4.15Å |
| 223 | Q | 96.3 | Very high | 96.3 | Very high | 43 Ų | 43 | 47 Ų | 47 | 20% | 0.201 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -65.3 | -39 | 176.6 | -63.6 | -57.7 | 93.1 | 0 | 0 | 111.7 | I71 D219 Y220 V221 L225 L226 T227 | I71-Q223 HydrophobicContact CD1-CB 3.91Å; I71-Q223 HydrophobicContact CG1-CB 4.34Å; I71-Q223 HydrophobicContact CG2-CB 4.09Å; D219-Q223 WeakPolarHBondContact O-CG 3.38Å; D219-Q223 PolarHBondContact O-N 2.76Å; Y220-Q223 PolarHBondContact O-N 3.24Å; V221-Q223 VanDerWaalsContact C-N 3.33Å; V221-Q223 PolarHBondContact O-N 3.04Å; Q223-L225 VanDerWaalsContact C-N 3.32Å; Q223-L225 PolarHBondContact O-N 3.17Å; Q223-L226 PolarHBondContact O-N 3.32Å; Q223-T227 WeakPolarHBondContact O-CB 3.46Å; Q223-T227 WeakPolarHBondContact O-CG2 3.43Å; Q223-T227 PolarHBondContact O-N 2.92Å; Q223-T227 PolarHBondContact O-OG1 3.02Å |
| 224 | L | 96.7 | Very high | 96.2 | Very high | 14 Ų | 14 | 49.4 Ų | 49.4 | 7% | 0.073 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -59.4 | -42.8 | 172.6 | -70.5 | 177.3 | 0 | 0 | 0 | 111.9 | I71 Y220 V221 T227 Q228 T229 I230 F234 | I71-L224 HydrophobicContact CB-CD2 3.83Å; I71-L224 HydrophobicContact CB-CG 4.47Å; I71-L224 HydrophobicContact CG2-CD2 3.5Å; I71-L224 HydrophobicContact CG2-CG 3.61Å; Y220-L224 HydrophobicContact CD1-CD1 4.07Å; Y220-L224 HydrophobicContact CD1-CG 4.37Å; Y220-L224 HydrophobicContact CE1-CD1 3.64Å; Y220-L224 HydrophobicContact CE1-CG 4.07Å; Y220-L224 PolarHBondContact O-N 3.49Å; V221-L224 WeakPolarHBondContact O-CB 3.29Å; V221-L224 PolarHBondContact O-N 2.94Å; L224-T227 PolarHBondContact O-OG1 2.9Å; L224-Q228 PolarHBondContact O-N 3.27Å; L224-Q228 VanDerWaalsContact O-N 3.11Å; L224-T229 WeakPolarHBondContact CD2-OG1 3.36Å; L224-T229 PolarHBondContact O-N 2.95Å; L224-T229 PolarHBondContact O-OG1 3.47Å; L224-I230 HydrophobicContact CB-CD1 3.33Å; L224-I230 HydrophobicContact CB-CG1 3.97Å; L224-I230 HydrophobicContact CD1-CD1 3.97Å; L224-I230 HydrophobicContact CG-CD1 4.3Å; L224-F234 HydrophobicContact CD1-CD2 4.31Å; L224-F234 HydrophobicContact CD1-CE2 4.08Å |
| 225 | L | 95.3 | Very high | 96.1 | Very high | 25 Ų | 25 | 51.3 Ų | 51.3 | 13% | 0.131 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -64.6 | -50.3 | 177.6 | -75.3 | 165.9 | 0 | 0 | 0 | 112.2 | V221 R222 Q223 T227 Q228 I230 L267 F268 | V221-L225 PolarHBondContact O-N 3.42Å; R222-L225 WeakPolarHBondContact O-CB 3.5Å; R222-L225 PolarHBondContact O-N 2.91Å; Q223-L225 VanDerWaalsContact C-N 3.32Å; Q223-L225 PolarHBondContact O-N 3.17Å; L225-T227 VanDerWaalsContact C-N 3.26Å; L225-T227 PolarHBondContact O-N 3.45Å; L225-Q228 PolarHBondContact O-N 3.05Å; L225-I230 HydrophobicContact CD2-CD1 4.14Å; L225-I230 HydrophobicContact CD2-CG1 3.78Å; L225-I230 HydrophobicContact CG-CD1 4.03Å; L225-I230 HydrophobicContact CG-CG1 4.08Å; L225-L267 HydrophobicContact CD1-CB 4.29Å; L225-L267 HydrophobicContact CD1-CD2 3.41Å; L225-L267 VanDerWaalsContact CD1-CD2 3.41Å; L225-L267 HydrophobicContact CD1-CG 3.42Å; L225-L267 VanDerWaalsContact CD1-CG 3.42Å; L225-F268 HydrophobicContact CD1-CD1 3.46Å; L225-F268 VanDerWaalsContact CD1-CD1 3.46Å; L225-F268 HydrophobicContact CD1-CE1 3.57Å; L225-F268 HydrophobicContact CD2-CD1 3.67Å; L225-F268 HydrophobicContact CD2-CE1 3.59Å; L225-F268 HydrophobicContact CD2-CG 4.33Å; L225-F268 HydrophobicContact CD2-CZ 4.21Å; L225-F268 HydrophobicContact CG-CD1 3.99Å; L225-F268 HydrophobicContact CG-CE1 3.73Å |
| 226 | L | 93.6 | Very high | 96 | Very high | 101 Ų | 101 | 51.5 Ų | 51.5 | 53% | 0.529 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -64.9 | -32.3 | -176.8 | -70.8 | -178 | 0 | 0 | 0 | 112.8 | R222 Q223 Q228 | R222-L226 HydrophobicContact CG-CD1 4.24Å; R222-L226 HydrophobicContact CG-CG 4.42Å; R222-L226 WeakPolarHBondContact O-CG 3.33Å; R222-L226 PolarHBondContact O-N 2.78Å; Q223-L226 PolarHBondContact O-N 3.32Å; L226-Q228 VanDerWaalsContact C-N 3.3Å |
| 227 | T | 93.4 | Very high | 95.9 | Very high | 71 Ų | 71 | 51.5 Ų | 51.5 | 44% | 0.436 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87 | 0 | 174.6 | 59.2 | 0 | 0 | 0 | 0 | 113.3 | I71 Q223 L224 L225 T229 | I71-T227 HydrophobicContact CD1-CG2 3.88Å; I71-T227 WeakPolarHBondContact CD1-OG1 3.21Å; Q223-T227 WeakPolarHBondContact O-CB 3.46Å; Q223-T227 WeakPolarHBondContact O-CG2 3.43Å; Q223-T227 PolarHBondContact O-N 2.92Å; Q223-T227 PolarHBondContact O-OG1 3.02Å; L224-T227 PolarHBondContact O-OG1 2.9Å; L225-T227 VanDerWaalsContact C-N 3.26Å; L225-T227 PolarHBondContact O-N 3.45Å; T227-T229 WeakPolarHBondContact O-CG2 3.27Å; T227-T229 PolarHBondContact O-N 2.93Å; T227-T229 PolarHBondContact OG1-OG1 3.21Å |
| 228 | Q | 93.6 | Very high | 95.8 | Very high | 180 Ų | 180 | 55.2 Ų | 55.2 | 84% | 0.841 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.4 | 35 | -177.6 | -54.2 | -178.1 | 6.5 | 0 | 0 | 113.2 | L224 L225 L226 | L224-Q228 PolarHBondContact O-N 3.27Å; L224-Q228 VanDerWaalsContact O-N 3.11Å; L225-Q228 PolarHBondContact O-N 3.05Å; L226-Q228 VanDerWaalsContact C-N 3.3Å |
| 229 | T | 95.3 | Very high | 95.7 | Very high | 73 Ų | 73 | 56 Ų | 56 | 45% | 0.448 | 30% | 0.299 | S | S | . | . | trans | -107.4 | 16.1 | -177.9 | 56.7 | 0 | 0 | 0 | 0 | 113.2 | L224 T227 P231 | L224-T229 WeakPolarHBondContact CD2-OG1 3.36Å; L224-T229 PolarHBondContact O-N 2.95Å; L224-T229 PolarHBondContact O-OG1 3.47Å; T227-T229 WeakPolarHBondContact O-CG2 3.27Å; T227-T229 PolarHBondContact O-N 2.93Å; T227-T229 PolarHBondContact OG1-OG1 3.21Å; T229-P231 VanDerWaalsContact O-CD 3.31Å; T229-P231 WeakPolarHBondContact O-CD 3.43Å | ||
| 230 | I | 94.9 | Very high | 95.7 | Very high | 51 Ų | 51 | 55.8 Ų | 55.8 | 26% | 0.262 | 30% | 0.298 | S | S | . | . | trans | -60.7 | 118.7 | 173.9 | -64.5 | -75 | 0 | 0 | 0 | 109.2 | L224 L225 F234 F268 | L224-I230 HydrophobicContact CB-CD1 3.33Å; L224-I230 HydrophobicContact CB-CG1 3.97Å; L224-I230 HydrophobicContact CD1-CD1 3.97Å; L224-I230 HydrophobicContact CG-CD1 4.3Å; L225-I230 HydrophobicContact CD2-CD1 4.14Å; L225-I230 HydrophobicContact CD2-CG1 3.78Å; L225-I230 HydrophobicContact CG-CD1 4.03Å; L225-I230 HydrophobicContact CG-CG1 4.08Å; I230-F234 HydrophobicContact CD1-CD2 4.29Å; I230-F234 HydrophobicContact CD1-CE2 4.4Å; I230-F234 HydrophobicContact CG2-CB 3.83Å; I230-F234 HydrophobicContact CG2-CD2 4.43Å; I230-F234 HydrophobicContact CG2-CG 4.12Å; I230-F268 HydrophobicContact CD1-CE1 4.22Å; I230-F268 HydrophobicContact CD1-CZ 3.94Å; I230-F268 HydrophobicContact CG2-CZ 4.47Å | ||
| 231 | P | 93.4 | Very high | 95.6 | Very high | 53 Ų | 53 | 53.8 Ų | 53.8 | 34% | 0.344 | 29% | 0.291 | S | S | . | . | trans | -72.6 | 151.3 | -179.6 | 29.7 | -34.4 | 0 | 0 | 0 | 110.9 | T229 N233 F234 | T229-P231 VanDerWaalsContact O-CD 3.31Å; T229-P231 WeakPolarHBondContact O-CD 3.43Å; P231-N233 PolarHBondContact O-N 3.28Å; P231-N233 VanDerWaalsContact O-N 3.12Å; P231-F234 HydrophobicContact CG-CB 4.15Å; P231-F234 VanDerWaalsContact O-CB 3.27Å; P231-F234 WeakPolarHBondContact O-CB 3.38Å; P231-F234 PolarHBondContact O-N 2.86Å | ||
| 232 | P | 92.4 | Very high | 95.5 | Very high | 145 Ų | 145 | 57.8 Ų | 57.8 | 94% | 0.942 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | -26.1 | -178.1 | 24.4 | -34.6 | 0 | 0 | 0 | 113.3 | ||
| 233 | N | 93.6 | Very high | 95.5 | Very high | 132 Ų | 132 | 56.1 Ų | 56.1 | 71% | 0.706 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102 | 29.9 | 175.1 | 65.3 | -24.3 | 0 | 0 | 0 | 112.5 | P231 S235 | P231-N233 PolarHBondContact O-N 3.28Å; P231-N233 VanDerWaalsContact O-N 3.12Å; N233-S235 PolarHBondContact O-N 3.33Å |
| 234 | F | 96.1 | Very high | 95.5 | Very high | 51 Ų | 51 | 54.8 Ų | 54.8 | 22% | 0.224 | 30% | 0.297 | C | S | . | . | trans | -47.9 | 129.8 | 178.9 | 173.5 | -101.1 | 0 | 0 | 0 | 112 | V221 L224 I230 P231 L236 V239 V264 F268 | V221-F234 HydrophobicContact CG1-CE2 4.37Å; V221-F234 HydrophobicContact CG1-CZ 3.9Å; V221-F234 HydrophobicContact CG2-CE2 4.03Å; V221-F234 HydrophobicContact CG2-CZ 3.75Å; L224-F234 HydrophobicContact CD1-CD2 4.31Å; L224-F234 HydrophobicContact CD1-CE2 4.08Å; I230-F234 HydrophobicContact CD1-CD2 4.29Å; I230-F234 HydrophobicContact CD1-CE2 4.4Å; I230-F234 HydrophobicContact CG2-CB 3.83Å; I230-F234 HydrophobicContact CG2-CD2 4.43Å; I230-F234 HydrophobicContact CG2-CG 4.12Å; P231-F234 HydrophobicContact CG-CB 4.15Å; P231-F234 VanDerWaalsContact O-CB 3.27Å; P231-F234 WeakPolarHBondContact O-CB 3.38Å; P231-F234 PolarHBondContact O-N 2.86Å; F234-L236 HydrophobicContact CE1-CB 4.42Å; F234-L236 HydrophobicContact CZ-CB 4.47Å; F234-L236 HydrophobicContact CZ-CD1 4.38Å; F234-V239 HydrophobicContact CE2-CG2 3.98Å; F234-V264 HydrophobicContact CE1-CG1 4.29Å; F234-V264 HydrophobicContact CZ-CG1 4.49Å; F234-F268 HydrophobicContact CD1-CE2 4.32Å; F234-F268 HydrophobicContact CD1-CZ 4.01Å; F234-F268 HydrophobicContact CE1-CE2 4.42Å; F234-F268 AromaticContact CE1-CZ 3.83Å; F234-F268 HydrophobicContact CE1-CZ 3.83Å; F234-F268 HydrophobicContact CZ-CZ 4.36Å | ||
| 235 | S | 96.7 | Very high | 95.5 | Very high | 40 Ų | 40 | 56.9 Ų | 56.9 | 28% | 0.28 | 31% | 0.306 | S | S | . | . | trans | -137.5 | 109 | -177.7 | -176.6 | 0 | 0 | 0 | 0 | 110 | N233 F237 Q238 V239 | N233-S235 PolarHBondContact O-N 3.33Å; S235-F237 PolarHBondContact O-N 3.14Å; S235-Q238 PolarHBondContact O-N 3.48Å; S235-V239 PolarHBondContact O-N 3.49Å; S235-V239 VanDerWaalsContact O-N 3.1Å | ||
| 236 | L | 96.8 | Very high | 95.6 | Very high | 5 Ų | 5 | 56.8 Ų | 56.8 | 3% | 0.026 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -59.5 | -31 | 174.7 | -170.3 | 60.4 | 0 | 0 | 0 | 112 | V221 F234 Q238 V239 V240 Y257 L260 Y261 V264 | V221-L236 HydrophobicContact CG2-CD1 4.12Å; F234-L236 HydrophobicContact CE1-CB 4.42Å; F234-L236 HydrophobicContact CZ-CB 4.47Å; F234-L236 HydrophobicContact CZ-CD1 4.38Å; L236-Q238 PolarHBondContact O-N 2.9Å; L236-V239 PolarHBondContact O-N 3.48Å; L236-V240 WeakPolarHBondContact O-CG2 3.43Å; L236-V240 PolarHBondContact O-N 2.79Å; L236-Y257 HydrophobicContact CG-CE2 4.45Å; L236-L260 HydrophobicContact CD1-CD2 4Å; L236-L260 HydrophobicContact CD1-CG 4.12Å; L236-L260 HydrophobicContact CD2-CD2 4.38Å; L236-L260 HydrophobicContact CD2-CG 4.06Å; L236-L260 HydrophobicContact CG-CD2 4.25Å; L236-L260 HydrophobicContact CG-CG 4.4Å; L236-Y261 HydrophobicContact CB-CE1 4.04Å; L236-Y261 HydrophobicContact CD2-CD1 3.56Å; L236-Y261 HydrophobicContact CD2-CD2 3.98Å; L236-Y261 HydrophobicContact CD2-CE1 3.78Å; L236-Y261 HydrophobicContact CD2-CE2 4.22Å; L236-Y261 HydrophobicContact CD2-CG 3.64Å; L236-V264 HydrophobicContact CD1-CG2 4.02Å; L236-V264 HydrophobicContact CD2-CB 4.43Å; L236-V264 HydrophobicContact CD2-CG2 4.3Å |
| 237 | F | 95.9 | Very high | 95.8 | Very high | 1 Ų | 1 | 52 Ų | 52 | 0% | 0.004 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -57.5 | -47.3 | 171.2 | 175.1 | -88.6 | 0 | 0 | 0 | 111.9 | H4 D8 I9 R12 S235 V240 L241 Y257 | H4-F237 HydrophobicContact CB-CB 4.37Å; H4-F237 HydrophobicContact CB-CD2 3.33Å; H4-F237 HydrophobicContact CB-CE2 3.64Å; H4-F237 HydrophobicContact CB-CG 3.9Å; H4-F237 HydrophobicContact CB-CZ 4.46Å; D8-F237 HydrophobicContact CB-CE2 3.84Å; D8-F237 HydrophobicContact CB-CZ 4.34Å; I9-F237 HydrophobicContact CB-CE2 4.13Å; I9-F237 HydrophobicContact CD1-CD2 3.81Å; I9-F237 HydrophobicContact CD1-CE2 4.24Å; I9-F237 HydrophobicContact CG1-CD2 3.23Å; I9-F237 HydrophobicContact CG1-CE2 3.17Å; I9-F237 HydrophobicContact CG1-CG 4.25Å; I9-F237 HydrophobicContact CG1-CZ 4.12Å; R12-F237 HydrophobicContact CG-CZ 4.48Å; S235-F237 PolarHBondContact O-N 3.14Å; F237-V240 PolarHBondContact O-N 2.61Å; F237-L241 HydrophobicContact CE1-CD2 3.98Å; F237-L241 VanDerWaalsContact O-CB 3.3Å; F237-L241 WeakPolarHBondContact O-CB 3.41Å; F237-L241 PolarHBondContact O-N 3.18Å; F237-Y257 WeakPolarHBondContact CA-OH 3.42Å; F237-Y257 WeakPolarHBondContact CB-OH 3.16Å; F237-Y257 PolarHBondContact N-OH 3.38Å |
| 238 | Q | 96.2 | Very high | 95.9 | Very high | 77 Ų | 77 | 49.1 Ų | 49.1 | 36% | 0.36 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -67.4 | -39.5 | 179.2 | -65 | -63.4 | -10.4 | 0 | 0 | 111.3 | S235 L236 V240 L241 E242 | S235-Q238 PolarHBondContact O-N 3.48Å; L236-Q238 PolarHBondContact O-N 2.9Å; Q238-V240 PolarHBondContact O-N 3.3Å; Q238-L241 PolarHBondContact O-N 3.06Å; Q238-E242 WeakPolarHBondContact O-CG 3.37Å; Q238-E242 PolarHBondContact O-N 2.56Å |
| 239 | V | 97.8 | Very high | 96 | Very high | 17 Ų | 17 | 42 Ų | 42 | 10% | 0.103 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -55.8 | -51.4 | 174.3 | 175.1 | 0 | 0 | 0 | 0 | 110.8 | Y220 F234 S235 L236 L241 E242 M243 | Y220-V239 HydrophobicContact CD1-CG1 3.91Å; Y220-V239 HydrophobicContact CD1-CG2 4.38Å; Y220-V239 HydrophobicContact CE1-CG1 4.31Å; Y220-V239 HydrophobicContact CE1-CG2 4.17Å; F234-V239 HydrophobicContact CE2-CG2 3.98Å; S235-V239 PolarHBondContact O-N 3.49Å; S235-V239 VanDerWaalsContact O-N 3.1Å; L236-V239 PolarHBondContact O-N 3.48Å; V239-L241 PolarHBondContact O-N 3.24Å; V239-E242 PolarHBondContact O-N 3.12Å; V239-M243 HydrophobicContact CG1-CE 4.05Å; V239-M243 WeakPolarHBondContact O-CG 3.4Å; V239-M243 PolarHBondContact O-N 2.93Å |
| 240 | V | 97.8 | Very high | 96.1 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -66.3 | -38.8 | 179.7 | 176 | 0 | 0 | 0 | 0 | 111.7 | I9 L236 F237 Q238 M243 R244 V251 Y257 L260 | I9-V240 HydrophobicContact CD1-CB 4.19Å; I9-V240 HydrophobicContact CD1-CG1 3.99Å; I9-V240 HydrophobicContact CG2-CG1 4.15Å; L236-V240 WeakPolarHBondContact O-CG2 3.43Å; L236-V240 PolarHBondContact O-N 2.79Å; F237-V240 PolarHBondContact O-N 2.61Å; Q238-V240 PolarHBondContact O-N 3.3Å; V240-M243 PolarHBondContact O-N 2.78Å; V240-R244 WeakPolarHBondContact O-CG 3.49Å; V240-R244 PolarHBondContact O-N 3.41Å; V240-V251 HydrophobicContact CG1-CB 3.9Å; V240-V251 HydrophobicContact CG1-CG2 4.07Å; V240-V251 HydrophobicContact CG2-CG2 4.1Å; V240-Y257 HydrophobicContact CB-CE2 4.29Å; V240-Y257 HydrophobicContact CG2-CD2 4.07Å; V240-Y257 HydrophobicContact CG2-CE2 3.81Å; V240-L260 HydrophobicContact CG2-CD2 3.58Å |
| 241 | L | 95.9 | Very high | 96.2 | Very high | 11 Ų | 11 | 36.1 Ų | 36.1 | 6% | 0.058 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -61.8 | -46.2 | 177 | -175 | 62.2 | 0 | 0 | 0 | 111.5 | R12 F237 Q238 V239 M243 R244 K245 | R12-L241 HydrophobicContact CB-CD1 3.89Å; R12-L241 HydrophobicContact CB-CD2 4.35Å; F237-L241 HydrophobicContact CE1-CD2 3.98Å; F237-L241 VanDerWaalsContact O-CB 3.3Å; F237-L241 WeakPolarHBondContact O-CB 3.41Å; F237-L241 PolarHBondContact O-N 3.18Å; Q238-L241 PolarHBondContact O-N 3.06Å; V239-L241 PolarHBondContact O-N 3.24Å; L241-M243 VanDerWaalsContact C-N 3.34Å; L241-M243 PolarHBondContact O-N 2.9Å; L241-R244 PolarHBondContact O-N 3.27Å; L241-K245 WeakPolarHBondContact O-CG 3.28Å; L241-K245 PolarHBondContact O-N 2.98Å; L241-K245 VanDerWaalsContact O-N 3.16Å |
| 242 | E | 96.1 | Very high | 96.1 | Very high | 83 Ų | 83 | 36.4 Ų | 36.4 | 39% | 0.388 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -65.5 | -35.3 | 176.3 | -67.9 | -49.7 | 134.6 | 0 | 0 | 112.4 | Q238 V239 R244 K245 Q246 | Q238-E242 WeakPolarHBondContact O-CG 3.37Å; Q238-E242 PolarHBondContact O-N 2.56Å; V239-E242 PolarHBondContact O-N 3.12Å; E242-R244 VanDerWaalsContact C-N 3.34Å; E242-K245 VanDerWaalsContact CD-NZ 3.33Å; E242-K245 PolarHBondContact O-N 3.39Å; E242-K245 IonicContact OE1-NZ 3.21Å; E242-K245 PolarHBondContact OE1-NZ 3.35Å; E242-K245 WeakPolarHBondContact OE2-CD 3.27Å; E242-K245 IonicContact OE2-NZ 2.85Å; E242-K245 PolarHBondContact OE2-NZ 3.02Å; E242-Q246 PolarHBondContact O-NE2 3.02Å |
| 243 | M | 97.9 | Very high | 96.1 | Very high | 5 Ų | 5 | 30.9 Ų | 30.9 | 3% | 0.025 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -64.7 | -39 | 172 | -72 | -171.1 | 176.8 | 0 | 0 | 111.9 | I68 C216 A217 Y220 V239 V240 L241 K245 Q246 R247 A250 | I68-M243 HydrophobicContact CG2-CE 4.49Å; I68-M243 HydrophobicContact CG2-CG 4.04Å; C216-M243 HydrophobicContact CB-CE 4.15Å; C216-M243 HydrophobicContact CB-SD 4.07Å; A217-M243 HydrophobicContact CB-CE 4.16Å; A217-M243 HydrophobicContact CB-SD 3.81Å; Y220-M243 HydrophobicContact CD2-CE 4.25Å; Y220-M243 HydrophobicContact CG-CE 3.98Å; V239-M243 HydrophobicContact CG1-CE 4.05Å; V239-M243 WeakPolarHBondContact O-CG 3.4Å; V239-M243 PolarHBondContact O-N 2.93Å; V240-M243 PolarHBondContact O-N 2.78Å; L241-M243 VanDerWaalsContact C-N 3.34Å; L241-M243 PolarHBondContact O-N 2.9Å; M243-K245 VanDerWaalsContact C-N 3.27Å; M243-K245 PolarHBondContact O-N 2.7Å; M243-Q246 PolarHBondContact O-N 3.3Å; M243-R247 PolarHBondContact O-N 3.23Å; M243-A250 HydrophobicContact CB-CB 4.09Å |
| 244 | R | 96.8 | Very high | 96.1 | Very high | 16 Ų | 16 | 28.2 Ų | 28.2 | 6% | 0.06 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -68.9 | -20.8 | 177.3 | -80.2 | -170.2 | 172.9 | -162.4 | 11.8 | 114.5 | D6 K10 S13 Y44 V240 L241 E242 R247 A250 V251 | D6-R244 IonicContact OD1-NH2 3.79Å; D6-R244 PolarHBondContact OD1-NH2 2.88Å; K10-R244 VanDerWaalsContact CG-NH1 3.33Å; S13-R244 WeakPolarHBondContact OG-CD 3.31Å; Y44-R244 WeakPolarHBondContact CE2-O 3.41Å; V240-R244 WeakPolarHBondContact O-CG 3.49Å; V240-R244 PolarHBondContact O-N 3.41Å; L241-R244 PolarHBondContact O-N 3.27Å; E242-R244 VanDerWaalsContact C-N 3.34Å; R244-R247 WeakPolarHBondContact CA-O 3.23Å; R244-A250 HydrophobicContact CG-CB 4Å; R244-A250 WeakPolarHBondContact CG-O 3.39Å; R244-A250 PolarHBondContact NE-O 3.44Å; R244-V251 PolarHBondContact NH2-O 3.11Å |
| 245 | K | 95.9 | Very high | 95.9 | Very high | 58 Ų | 58 | 30.5 Ų | 30.5 | 25% | 0.252 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -73.8 | -19 | 169 | -63.4 | -178.7 | -168.3 | 164.1 | 0 | 112.5 | W16 L241 E242 M243 | W16-K245 HydrophobicContact CD2-CB 4.42Å; W16-K245 HydrophobicContact CD2-CD 4.32Å; W16-K245 HydrophobicContact CD2-CG 3.79Å; W16-K245 HydrophobicContact CE3-CB 4.44Å; W16-K245 HydrophobicContact CE3-CG 4.09Å; W16-K245 HydrophobicContact CG-CD 4.49Å; W16-K245 HydrophobicContact CG-CG 4.28Å; W16-K245 HydrophobicContact CH2-CB 3.83Å; W16-K245 HydrophobicContact CH2-CG 4.27Å; W16-K245 WeakPolarHBondContact CH2-O 3.17Å; W16-K245 HydrophobicContact CZ2-CB 3.8Å; W16-K245 HydrophobicContact CZ2-CD 4.34Å; W16-K245 HydrophobicContact CZ2-CG 3.99Å; W16-K245 HydrophobicContact CZ3-CB 4.16Å; W16-K245 HydrophobicContact CZ3-CG 4.32Å; L241-K245 WeakPolarHBondContact O-CG 3.28Å; L241-K245 PolarHBondContact O-N 2.98Å; L241-K245 VanDerWaalsContact O-N 3.16Å; E242-K245 VanDerWaalsContact CD-NZ 3.33Å; E242-K245 PolarHBondContact O-N 3.39Å; E242-K245 IonicContact OE1-NZ 3.21Å; E242-K245 PolarHBondContact OE1-NZ 3.35Å; E242-K245 WeakPolarHBondContact OE2-CD 3.27Å; E242-K245 IonicContact OE2-NZ 2.85Å; E242-K245 PolarHBondContact OE2-NZ 3.02Å; M243-K245 VanDerWaalsContact C-N 3.27Å; M243-K245 PolarHBondContact O-N 2.7Å |
| 246 | Q | 97.9 | Very high | 95.8 | Very high | 22 Ų | 22 | 28.7 Ų | 28.7 | 10% | 0.103 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -105.4 | -36.7 | -175.2 | -64.8 | 173 | 84.4 | 0 | 0 | 112.5 | T47 N66 I68 E242 M243 | T47-Q246 HydrophobicContact CG2-CB 4.37Å; T47-Q246 HydrophobicContact CG2-CG 4.28Å; T47-Q246 PolarHBondContact OG1-O 3.45Å; N66-Q246 WeakPolarHBondContact CB-O 3.31Å; N66-Q246 VanDerWaalsContact CG-O 3.31Å; N66-Q246 PolarHBondContact ND2-O 3.33Å; I68-Q246 HydrophobicContact CG1-CB 4.22Å; E242-Q246 PolarHBondContact O-NE2 3.02Å; M243-Q246 PolarHBondContact O-N 3.3Å |
| 247 | R | 98.1 | Very high | 95.8 | Very high | 1 Ų | 1 | 28.7 Ų | 28.7 | 0% | 0.004 | 14% | 0.142 | C | C | . | . | S | Bend | trans | -129.6 | 129.9 | 173.2 | -179.8 | 71.3 | -169.6 | 161.6 | -5.8 | 110.1 | N64 N66 I68 A79 A207 G208 M243 R244 A249 A250 | N64-R247 PolarHBondContact OD1-NH1 2.98Å; N64-R247 PolarHBondContact OD1-NH2 3.37Å; N66-R247 HydrophobicContact CB-CB 4.35Å; N66-R247 WeakPolarHBondContact OD1-CD 3.36Å; N66-R247 PolarHBondContact OD1-NH1 3.15Å; I68-R247 HydrophobicContact CD1-CB 3.9Å; I68-R247 HydrophobicContact CG1-CB 4.23Å; A79-R247 HydrophobicContact CB-CB 4.22Å; A79-R247 HydrophobicContact CB-CG 3.84Å; A207-R247 PolarHBondContact O-NH2 2.95Å; G208-R247 WeakPolarHBondContact O-CG 3.47Å; G208-R247 PolarHBondContact O-NE 2.93Å; M243-R247 PolarHBondContact O-N 3.23Å; R244-R247 WeakPolarHBondContact CA-O 3.23Å; R247-A249 PolarHBondContact O-N 2.91Å; R247-A250 PolarHBondContact O-N 3.47Å |
| 248 | P | 95.9 | Very high | 95.8 | Very high | 10 Ų | 10 | 35.9 Ų | 35.9 | 7% | 0.065 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56 | 133.6 | 180 | -15 | 20.4 | 0 | 0 | 0 | 112.6 | V42 Y44 C209 A250 | V42-P248 WeakPolarHBondContact O-CG 3.27Å; Y44-P248 HydrophobicContact CD1-CG 3.92Å; Y44-P248 HydrophobicContact CD2-CG 4.19Å; Y44-P248 HydrophobicContact CE1-CB 4.01Å; Y44-P248 HydrophobicContact CE1-CG 3.57Å; Y44-P248 HydrophobicContact CE2-CB 4.16Å; Y44-P248 HydrophobicContact CE2-CG 3.82Å; Y44-P248 HydrophobicContact CG-CG 4.22Å; Y44-P248 VanDerWaalsContact CZ-CG 3.49Å; Y44-P248 VanDerWaalsContact OH-CA 3.25Å; Y44-P248 WeakPolarHBondContact OH-CA 3.3Å; Y44-P248 WeakPolarHBondContact OH-CB 3.48Å; C209-P248 PolarHBondContact SG-O 3.4Å; P248-A250 PolarHBondContact O-N 2.93Å |
| 249 | A | 95.1 | Very high | 95.8 | Very high | 30 Ų | 30 | 33.1 Ų | 33.1 | 25% | 0.248 | 16% | 0.156 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 53.7 | 28.9 | 172.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | C209 R247 V251 Q252 | C209-A249 HydrophobicContact CB-CB 4.29Å; R247-A249 PolarHBondContact O-N 2.91Å; A249-V251 PolarHBondContact O-N 3.48Å; A249-Q252 HydrophobicContact CB-CG 4.49Å |
| 250 | A | 96.9 | Very high | 95.7 | Very high | 1 Ų | 1 | 32.3 Ų | 32.3 | 1% | 0.008 | 15% | 0.151 | C | C | . | . | S | Bend | trans | -51.4 | 128.4 | 167.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | M243 R244 R247 P248 | M243-A250 HydrophobicContact CB-CB 4.09Å; R244-A250 HydrophobicContact CG-CB 4Å; R244-A250 WeakPolarHBondContact CG-O 3.39Å; R244-A250 PolarHBondContact NE-O 3.44Å; R247-A250 PolarHBondContact O-N 3.47Å; P248-A250 PolarHBondContact O-N 2.93Å |
| 251 | V | 96.3 | Very high | 95.7 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 17% | 0.167 | C | C | . | . | S | Bend | trans | 54.5 | 90.6 | -166.8 | -172.2 | 0 | 0 | 0 | 0 | 110.4 | V214 V240 R244 A249 Q256 Y257 L260 | V214-V251 HydrophobicContact CG2-CG1 4.28Å; V214-V251 HydrophobicContact CG2-CG2 4.1Å; V240-V251 HydrophobicContact CG1-CB 3.9Å; V240-V251 HydrophobicContact CG1-CG2 4.07Å; V240-V251 HydrophobicContact CG2-CG2 4.1Å; R244-V251 PolarHBondContact NH2-O 3.11Å; A249-V251 PolarHBondContact O-N 3.48Å; V251-Q256 HydrophobicContact CG1-CB 3.99Å; V251-Y257 HydrophobicContact CG1-CD2 4.27Å; V251-L260 HydrophobicContact CG2-CD2 4.14Å |
| 252 | Q | 92.4 | Very high | 95.7 | Very high | 60 Ų | 60 | 41.2 Ų | 41.2 | 28% | 0.28 | 19% | 0.189 | S | C | . | . | trans | -88.4 | -34.1 | -160.2 | -172.4 | 178.1 | 26.7 | 0 | 0 | 113.6 | K10 A249 | K10-Q252 WeakPolarHBondContact CE-O 3.39Å; K10-Q252 PolarHBondContact NZ-O 3.26Å; A249-Q252 HydrophobicContact CB-CG 4.49Å | ||
| 253 | T | 92.4 | Very high | 95.7 | Very high | 28 Ų | 28 | 37.3 Ų | 37.3 | 17% | 0.172 | 17% | 0.171 | C | C | . | . | S | Bend | trans | -114.9 | 155.8 | -174.3 | 68.7 | 0 | 0 | 0 | 0 | 111.6 | E255 Q256 Y257 | T253-E255 PolarHBondContact O-N 3.02Å; T253-Q256 WeakPolarHBondContact O-CB 3.42Å; T253-Q256 PolarHBondContact O-N 3.34Å; T253-Q256 VanDerWaalsContact OG1-CG 3.29Å; T253-Q256 WeakPolarHBondContact OG1-CG 3.5Å; T253-Q256 PolarHBondContact OG1-N 3.4Å; T253-Y257 PolarHBondContact O-N 2.94Å; T253-Y257 VanDerWaalsContact O-N 3.09Å |
| 254 | E | 92.6 | Very high | 95.7 | Very high | 77 Ų | 77 | 37.4 Ų | 37.4 | 36% | 0.36 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -60.1 | -37.3 | 174.4 | -177.4 | 177.3 | -170.6 | 0 | 0 | 111.7 | D6 Q256 Y257 R258 | D6-E254 HydrophobicContact CB-CB 3.87Å; D6-E254 HydrophobicContact CB-CG 4.07Å; D6-E254 PolarHBondContact OD2-N 3.29Å; E254-Q256 PolarHBondContact O-N 2.86Å; E254-Y257 PolarHBondContact O-N 3.42Å; E254-Y257 VanDerWaalsContact O-N 3.14Å; E254-R258 HydrophobicContact CG-CG 4.44Å; E254-R258 WeakPolarHBondContact O-CG 3.47Å; E254-R258 PolarHBondContact O-N 2.98Å; E254-R258 IonicContact OE1-CZ 3.3Å; E254-R258 IonicContact OE1-NE 2.65Å; E254-R258 PolarHBondContact OE1-NE 3.38Å; E254-R258 IonicContact OE1-NH2 3.34Å; E254-R258 PolarHBondContact OE1-NH2 3.18Å; E254-R258 IonicContact OE2-NH2 2.61Å |
| 255 | E | 93.1 | Very high | 95.7 | Very high | 98 Ų | 98 | 39.3 Ų | 39.3 | 46% | 0.458 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -59.8 | -45.9 | 176.7 | -159.1 | -173.1 | 162.6 | 0 | 0 | 111.4 | V176 T253 Y257 R258 F259 | V176-E255 HydrophobicContact CG1-CB 4.17Å; V176-E255 HydrophobicContact CG1-CG 3.72Å; V176-E255 WeakPolarHBondContact CG1-O 3.39Å; V176-E255 HydrophobicContact CG2-CG 4.29Å; T253-E255 PolarHBondContact O-N 3.02Å; E255-Y257 VanDerWaalsContact C-N 3.29Å; E255-Y257 PolarHBondContact O-N 2.9Å; E255-R258 PolarHBondContact O-N 2.89Å; E255-F259 WeakPolarHBondContact O-CB 3.42Å; E255-F259 PolarHBondContact O-N 2.83Å |
| 256 | Q | 94.9 | Very high | 95.6 | Very high | 2 Ų | 2 | 38.6 Ų | 38.6 | 1% | 0.009 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -60.6 | -38.8 | 174.1 | -73.5 | 167.7 | 0.9 | 0 | 0 | 112.1 | V176 V214 V251 T253 E254 F259 L260 | V176-Q256 HydrophobicContact CG1-CG 4.28Å; V214-Q256 HydrophobicContact CG2-CB 3.88Å; V214-Q256 HydrophobicContact CG2-CG 4.33Å; V251-Q256 HydrophobicContact CG1-CB 3.99Å; T253-Q256 WeakPolarHBondContact O-CB 3.42Å; T253-Q256 PolarHBondContact O-N 3.34Å; T253-Q256 VanDerWaalsContact OG1-CG 3.29Å; T253-Q256 WeakPolarHBondContact OG1-CG 3.5Å; T253-Q256 PolarHBondContact OG1-N 3.4Å; E254-Q256 PolarHBondContact O-N 2.86Å; Q256-F259 PolarHBondContact O-N 3Å; Q256-L260 WeakPolarHBondContact O-CB 3.45Å; Q256-L260 PolarHBondContact O-N 3.43Å |
| 257 | Y | 96 | Very high | 95.5 | Very high | 6 Ų | 6 | 38 Ų | 38 | 2% | 0.024 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -68.9 | -40.5 | 178 | -171.3 | -126.1 | 0 | 0 | 0 | 112.3 | D6 I9 L236 F237 V240 V251 T253 E254 E255 L260 Y261 | D6-Y257 HydrophobicContact CB-CD1 4.27Å; I9-Y257 HydrophobicContact CD1-CD1 4.13Å; I9-Y257 HydrophobicContact CD1-CD2 3.9Å; I9-Y257 HydrophobicContact CD1-CE1 3.66Å; I9-Y257 HydrophobicContact CD1-CE2 3.46Å; I9-Y257 VanDerWaalsContact CD1-CE2 3.46Å; I9-Y257 HydrophobicContact CD1-CG 4.24Å; L236-Y257 HydrophobicContact CG-CE2 4.45Å; F237-Y257 WeakPolarHBondContact CA-OH 3.42Å; F237-Y257 WeakPolarHBondContact CB-OH 3.16Å; F237-Y257 PolarHBondContact N-OH 3.38Å; V240-Y257 HydrophobicContact CB-CE2 4.29Å; V240-Y257 HydrophobicContact CG2-CD2 4.07Å; V240-Y257 HydrophobicContact CG2-CE2 3.81Å; V251-Y257 HydrophobicContact CG1-CD2 4.27Å; T253-Y257 PolarHBondContact O-N 2.94Å; T253-Y257 VanDerWaalsContact O-N 3.09Å; E254-Y257 PolarHBondContact O-N 3.42Å; E254-Y257 VanDerWaalsContact O-N 3.14Å; E255-Y257 VanDerWaalsContact C-N 3.29Å; E255-Y257 PolarHBondContact O-N 2.9Å; Y257-L260 HydrophobicContact CD2-CD2 4.49Å; Y257-L260 WeakPolarHBondContact O-CB 3.33Å; Y257-L260 PolarHBondContact O-N 3.37Å; Y257-Y261 HydrophobicContact CD1-CD2 4.28Å; Y257-Y261 HydrophobicContact CD1-CE2 4.01Å; Y257-Y261 HydrophobicContact CE1-CD2 4.06Å; Y257-Y261 AromaticContact CE1-CE2 3.34Å; Y257-Y261 HydrophobicContact CE1-CE2 3.34Å; Y257-Y261 HydrophobicContact CE2-CD2 4.34Å; Y257-Y261 AromaticContact CE2-CE2 3.89Å; Y257-Y261 HydrophobicContact CE2-CE2 3.89Å; Y257-Y261 AromaticContact CZ-CE2 3.23Å; Y257-Y261 AromaticContact CZ-CZ 3.92Å; Y257-Y261 WeakPolarHBondContact O-CD2 3.37Å; Y257-Y261 PolarHBondContact O-N 3.38Å; Y257-Y261 VanDerWaalsContact OH-CE2 3.29Å; Y257-Y261 WeakPolarHBondContact OH-CE2 3.23Å; Y257-Y261 PolarHBondContact OH-OH 2.86Å |
| 258 | R | 95.2 | Very high | 95.3 | Very high | 152 Ų | 152 | 40.8 Ų | 40.8 | 57% | 0.574 | 20% | 0.198 | S | C | * | . | H | α-helix | trans | -64.2 | -42.3 | 172.9 | -70.5 | 177.6 | -175.1 | 160.4 | -3.4 | 111.8 | E254 E255 L260 Y261 H262 | E254-R258 HydrophobicContact CG-CG 4.44Å; E254-R258 WeakPolarHBondContact O-CG 3.47Å; E254-R258 PolarHBondContact O-N 2.98Å; E254-R258 IonicContact OE1-CZ 3.3Å; E254-R258 IonicContact OE1-NE 2.65Å; E254-R258 PolarHBondContact OE1-NE 3.38Å; E254-R258 IonicContact OE1-NH2 3.34Å; E254-R258 PolarHBondContact OE1-NH2 3.18Å; E254-R258 IonicContact OE2-NH2 2.61Å; E255-R258 PolarHBondContact O-N 2.89Å; R258-L260 VanDerWaalsContact C-N 3.33Å; R258-L260 PolarHBondContact O-N 3.28Å; R258-Y261 WeakPolarHBondContact O-CB 3.45Å; R258-Y261 PolarHBondContact O-N 3.08Å; R258-H262 PolarHBondContact O-N 3.24Å |
| 259 | F | 95.9 | Very high | 95.2 | Very high | 18 Ų | 18 | 43.2 Ų | 43.2 | 8% | 0.079 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -62.3 | -40.9 | 174.6 | 174.8 | -92.4 | 0 | 0 | 0 | 111.9 | V176 P177 I183 V214 E255 Q256 Y261 H262 T263 | V176-F259 HydrophobicContact CB-CB 3.84Å; V176-F259 HydrophobicContact CB-CD2 3.85Å; V176-F259 HydrophobicContact CB-CG 3.83Å; V176-F259 HydrophobicContact CG1-CB 3.51Å; V176-F259 HydrophobicContact CG1-CD2 4.48Å; V176-F259 HydrophobicContact CG1-CG 4.01Å; V176-F259 HydrophobicContact CG2-CB 4.39Å; V176-F259 HydrophobicContact CG2-CD2 4.14Å; V176-F259 HydrophobicContact CG2-CG 4.49Å; P177-F259 HydrophobicContact CB-CE2 4.13Å; P177-F259 HydrophobicContact CB-CZ 3.88Å; P177-F259 HydrophobicContact CG-CE1 3.93Å; P177-F259 HydrophobicContact CG-CE2 4.23Å; P177-F259 HydrophobicContact CG-CZ 3.66Å; P177-F259 WeakPolarHBondContact O-CE2 3.33Å; I183-F259 HydrophobicContact CG1-CE1 4.14Å; I183-F259 HydrophobicContact CG1-CZ 3.88Å; V214-F259 HydrophobicContact CG1-CD1 4.07Å; V214-F259 HydrophobicContact CG1-CE1 4.17Å; E255-F259 WeakPolarHBondContact O-CB 3.42Å; E255-F259 PolarHBondContact O-N 2.83Å; Q256-F259 PolarHBondContact O-N 3Å; F259-Y261 VanDerWaalsContact C-N 3.35Å; F259-Y261 PolarHBondContact O-N 3.49Å; F259-H262 WeakPolarHBondContact O-CB 3.49Å; F259-H262 PolarHBondContact O-N 3.34Å; F259-T263 WeakPolarHBondContact CE1-OG1 3.41Å; F259-T263 WeakPolarHBondContact O-CB 2.93Å; F259-T263 PolarHBondContact O-N 2.94Å; F259-T263 PolarHBondContact O-OG1 2.88Å |
| 260 | L | 97 | Very high | 95 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -60.7 | -43.7 | 174.7 | -179.4 | 63.6 | 0 | 0 | 0 | 111.4 | V214 A217 V218 L236 V240 V251 Q256 Y257 R258 T263 V264 | V214-L260 HydrophobicContact CG1-CD1 4.41Å; A217-L260 HydrophobicContact CB-CD1 3.74Å; A217-L260 HydrophobicContact CB-CD2 3.64Å; A217-L260 HydrophobicContact CB-CG 4.34Å; V218-L260 HydrophobicContact CG2-CD1 3.5Å; L236-L260 HydrophobicContact CD1-CD2 4Å; L236-L260 HydrophobicContact CD1-CG 4.12Å; L236-L260 HydrophobicContact CD2-CD2 4.38Å; L236-L260 HydrophobicContact CD2-CG 4.06Å; L236-L260 HydrophobicContact CG-CD2 4.25Å; L236-L260 HydrophobicContact CG-CG 4.4Å; V240-L260 HydrophobicContact CG2-CD2 3.58Å; V251-L260 HydrophobicContact CG2-CD2 4.14Å; Q256-L260 WeakPolarHBondContact O-CB 3.45Å; Q256-L260 PolarHBondContact O-N 3.43Å; Y257-L260 HydrophobicContact CD2-CD2 4.49Å; Y257-L260 WeakPolarHBondContact O-CB 3.33Å; Y257-L260 PolarHBondContact O-N 3.37Å; R258-L260 VanDerWaalsContact C-N 3.33Å; R258-L260 PolarHBondContact O-N 3.28Å; L260-T263 PolarHBondContact O-N 3.45Å; L260-V264 HydrophobicContact CD1-CG2 4.22Å; L260-V264 WeakPolarHBondContact O-CB 3.29Å; L260-V264 WeakPolarHBondContact O-CG2 3.42Å; L260-V264 PolarHBondContact O-N 3.23Å |
| 261 | Y | 96.6 | Very high | 94.5 | Very high | 87 Ų | 87 | 47.5 Ų | 47.5 | 34% | 0.341 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -57.6 | -48.2 | 172.4 | -94 | -72.8 | 0 | 0 | 0 | 112.6 | L236 Y257 R258 F259 T263 V264 A265 | L236-Y261 HydrophobicContact CB-CE1 4.04Å; L236-Y261 HydrophobicContact CD2-CD1 3.56Å; L236-Y261 HydrophobicContact CD2-CD2 3.98Å; L236-Y261 HydrophobicContact CD2-CE1 3.78Å; L236-Y261 HydrophobicContact CD2-CE2 4.22Å; L236-Y261 HydrophobicContact CD2-CG 3.64Å; Y257-Y261 HydrophobicContact CD1-CD2 4.28Å; Y257-Y261 HydrophobicContact CD1-CE2 4.01Å; Y257-Y261 HydrophobicContact CE1-CD2 4.06Å; Y257-Y261 AromaticContact CE1-CE2 3.34Å; Y257-Y261 HydrophobicContact CE1-CE2 3.34Å; Y257-Y261 HydrophobicContact CE2-CD2 4.34Å; Y257-Y261 AromaticContact CE2-CE2 3.89Å; Y257-Y261 HydrophobicContact CE2-CE2 3.89Å; Y257-Y261 AromaticContact CZ-CE2 3.23Å; Y257-Y261 AromaticContact CZ-CZ 3.92Å; Y257-Y261 WeakPolarHBondContact O-CD2 3.37Å; Y257-Y261 PolarHBondContact O-N 3.38Å; Y257-Y261 VanDerWaalsContact OH-CE2 3.29Å; Y257-Y261 WeakPolarHBondContact OH-CE2 3.23Å; Y257-Y261 PolarHBondContact OH-OH 2.86Å; R258-Y261 WeakPolarHBondContact O-CB 3.45Å; R258-Y261 PolarHBondContact O-N 3.08Å; F259-Y261 VanDerWaalsContact C-N 3.35Å; F259-Y261 PolarHBondContact O-N 3.49Å; Y261-T263 VanDerWaalsContact C-N 3.32Å; Y261-T263 PolarHBondContact O-N 3.38Å; Y261-V264 PolarHBondContact O-N 2.98Å; Y261-A265 WeakPolarHBondContact O-CB 3.38Å; Y261-A265 PolarHBondContact O-N 3.36Å |
| 262 | H | 96.4 | Very high | 94.2 | Very high | 111 Ų | 111 | 53.2 Ų | 53.2 | 51% | 0.514 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -57.9 | -46.3 | 178.1 | 177.7 | -90.6 | 0 | 0 | 0 | 111.3 | S180 R258 F259 A265 Q266 | S180-H262 PolarHBondContact OG-CE1 2.97Å; S180-H262 PolarHBondContact OG-ND1 2.65Å; R258-H262 PolarHBondContact O-N 3.24Å; F259-H262 WeakPolarHBondContact O-CB 3.49Å; F259-H262 PolarHBondContact O-N 3.34Å; H262-A265 PolarHBondContact O-N 3.11Å; H262-Q266 WeakPolarHBondContact O-CB 3.45Å; H262-Q266 PolarHBondContact O-N 2.93Å |
| 263 | T | 97.3 | Very high | 93.9 | Very high | 1 Ų | 1 | 55.4 Ų | 55.4 | 1% | 0.006 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -65.6 | -42.9 | -178.4 | -54.1 | 0 | 0 | 0 | 0 | 111.6 | L184 V218 F259 L260 Y261 Q266 L267 | L184-T263 HydrophobicContact CD2-CG2 3.86Å; L184-T263 HydrophobicContact CG-CG2 4.09Å; V218-T263 HydrophobicContact CG1-CG2 4.11Å; V218-T263 HydrophobicContact CG2-CG2 3.83Å; F259-T263 WeakPolarHBondContact CE1-OG1 3.41Å; F259-T263 WeakPolarHBondContact O-CB 2.93Å; F259-T263 PolarHBondContact O-N 2.94Å; F259-T263 PolarHBondContact O-OG1 2.88Å; L260-T263 PolarHBondContact O-N 3.45Å; Y261-T263 VanDerWaalsContact C-N 3.32Å; Y261-T263 PolarHBondContact O-N 3.38Å; T263-Q266 PolarHBondContact O-N 3.35Å; T263-L267 WeakPolarHBondContact O-CB 3.41Å; T263-L267 PolarHBondContact O-N 3.46Å |
| 264 | V | 96.8 | Very high | 93.1 | Very high | 8 Ų | 8 | 58.9 Ų | 58.9 | 5% | 0.048 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -66.7 | -42.4 | 176.9 | 167.6 | 0 | 0 | 0 | 0 | 111.5 | V221 F234 L236 L260 Y261 Q266 L267 F268 | V221-V264 HydrophobicContact CB-CG2 4.27Å; V221-V264 HydrophobicContact CG1-CG1 3.86Å; V221-V264 HydrophobicContact CG1-CG2 4.1Å; V221-V264 HydrophobicContact CG2-CG2 4.29Å; F234-V264 HydrophobicContact CE1-CG1 4.29Å; F234-V264 HydrophobicContact CZ-CG1 4.49Å; L236-V264 HydrophobicContact CD1-CG2 4.02Å; L236-V264 HydrophobicContact CD2-CB 4.43Å; L236-V264 HydrophobicContact CD2-CG2 4.3Å; L260-V264 HydrophobicContact CD1-CG2 4.22Å; L260-V264 WeakPolarHBondContact O-CB 3.29Å; L260-V264 WeakPolarHBondContact O-CG2 3.42Å; L260-V264 PolarHBondContact O-N 3.23Å; Y261-V264 PolarHBondContact O-N 2.98Å; V264-Q266 VanDerWaalsContact C-N 3.31Å; V264-Q266 PolarHBondContact O-N 3.11Å; V264-L267 WeakPolarHBondContact O-CB 3.47Å; V264-L267 PolarHBondContact O-N 3.44Å; V264-F268 HydrophobicContact CG1-CD1 4.13Å; V264-F268 HydrophobicContact CG1-CE1 3.81Å; V264-F268 HydrophobicContact CG1-CZ 4.21Å; V264-F268 VanDerWaalsContact O-CD1 3.29Å; V264-F268 WeakPolarHBondContact O-CD1 3.41Å; V264-F268 PolarHBondContact O-N 3.38Å |
| 265 | A | 96.3 | Very high | 91.9 | Very high | 55 Ų | 55 | 59.7 Ų | 59.7 | 46% | 0.455 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -61.3 | -42.7 | 176 | 0 | 0 | 0 | 0 | 0 | 111.2 | Y261 H262 F268 S269 | Y261-A265 WeakPolarHBondContact O-CB 3.38Å; Y261-A265 PolarHBondContact O-N 3.36Å; H262-A265 PolarHBondContact O-N 3.11Å; A265-F268 PolarHBondContact O-N 3.42Å; A265-S269 PolarHBondContact O-N 2.61Å; A265-S269 PolarHBondContact O-OG 3.4Å; A265-S269 VanDerWaalsContact O-OG 3.09Å |
| 266 | Q | 95.3 | Very high | 90.1 | Very high | 44 Ų | 44 | 57.3 Ų | 57.3 | 21% | 0.206 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -61.6 | -44 | 174.7 | -173.5 | -176.9 | 6.3 | 0 | 0 | 112 | S180 D181 H262 T263 V264 F268 S269 R270 | S180-Q266 VanDerWaalsContact CB-OE1 3.3Å; S180-Q266 PolarHBondContact OG-OE1 3.39Å; D181-Q266 PolarHBondContact OD1-NE2 3.09Å; H262-Q266 WeakPolarHBondContact O-CB 3.45Å; H262-Q266 PolarHBondContact O-N 2.93Å; T263-Q266 PolarHBondContact O-N 3.35Å; V264-Q266 VanDerWaalsContact C-N 3.31Å; V264-Q266 PolarHBondContact O-N 3.11Å; Q266-F268 VanDerWaalsContact C-N 3.33Å; Q266-F268 PolarHBondContact O-N 2.6Å; Q266-S269 PolarHBondContact O-N 3.21Å; Q266-R270 WeakPolarHBondContact O-CG 3.41Å; Q266-R270 PolarHBondContact O-N 2.97Å |
| 267 | L | 94.4 | Very high | 88.2 | Confident | 10 Ų | 10 | 61.8 Ų | 61.8 | 5% | 0.052 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -59.5 | -44.2 | 178 | -173.5 | 65.4 | 0 | 0 | 0 | 111.4 | L184 R222 L225 T263 V264 R270 T271 | L184-L267 HydrophobicContact CD2-CD1 4.01Å; R222-L267 HydrophobicContact CB-CD2 3.74Å; R222-L267 HydrophobicContact CG-CD1 4.38Å; R222-L267 HydrophobicContact CG-CD2 4.15Å; L225-L267 HydrophobicContact CD1-CB 4.29Å; L225-L267 HydrophobicContact CD1-CD2 3.41Å; L225-L267 VanDerWaalsContact CD1-CD2 3.41Å; L225-L267 HydrophobicContact CD1-CG 3.42Å; L225-L267 VanDerWaalsContact CD1-CG 3.42Å; T263-L267 WeakPolarHBondContact O-CB 3.41Å; T263-L267 PolarHBondContact O-N 3.46Å; V264-L267 WeakPolarHBondContact O-CB 3.47Å; V264-L267 PolarHBondContact O-N 3.44Å; L267-R270 PolarHBondContact O-N 2.59Å; L267-T271 PolarHBondContact O-N 3.37Å; L267-T271 VanDerWaalsContact O-N 3.11Å; L267-T271 PolarHBondContact O-OG1 2.96Å; L267-T271 VanDerWaalsContact O-OG1 3.11Å |
| 268 | F | 93.9 | Very high | 86 | Confident | 58 Ų | 58 | 68.4 Ų | 68.4 | 25% | 0.254 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -63.2 | -45.4 | 176.5 | -78.6 | 28.6 | 0 | 0 | 0 | 111.2 | V221 L225 I230 F234 V264 A265 Q266 R270 T271 L272 | V221-F268 HydrophobicContact CG1-CE1 3.71Å; V221-F268 HydrophobicContact CG1-CZ 4.34Å; L225-F268 HydrophobicContact CD1-CD1 3.46Å; L225-F268 VanDerWaalsContact CD1-CD1 3.46Å; L225-F268 HydrophobicContact CD1-CE1 3.57Å; L225-F268 HydrophobicContact CD2-CD1 3.67Å; L225-F268 HydrophobicContact CD2-CE1 3.59Å; L225-F268 HydrophobicContact CD2-CG 4.33Å; L225-F268 HydrophobicContact CD2-CZ 4.21Å; L225-F268 HydrophobicContact CG-CD1 3.99Å; L225-F268 HydrophobicContact CG-CE1 3.73Å; I230-F268 HydrophobicContact CD1-CE1 4.22Å; I230-F268 HydrophobicContact CD1-CZ 3.94Å; I230-F268 HydrophobicContact CG2-CZ 4.47Å; F234-F268 HydrophobicContact CD1-CE2 4.32Å; F234-F268 HydrophobicContact CD1-CZ 4.01Å; F234-F268 HydrophobicContact CE1-CE2 4.42Å; F234-F268 AromaticContact CE1-CZ 3.83Å; F234-F268 HydrophobicContact CE1-CZ 3.83Å; F234-F268 HydrophobicContact CZ-CZ 4.36Å; V264-F268 HydrophobicContact CG1-CD1 4.13Å; V264-F268 HydrophobicContact CG1-CE1 3.81Å; V264-F268 HydrophobicContact CG1-CZ 4.21Å; V264-F268 VanDerWaalsContact O-CD1 3.29Å; V264-F268 WeakPolarHBondContact O-CD1 3.41Å; V264-F268 PolarHBondContact O-N 3.38Å; A265-F268 PolarHBondContact O-N 3.42Å; Q266-F268 VanDerWaalsContact C-N 3.33Å; Q266-F268 PolarHBondContact O-N 2.6Å; F268-R270 VanDerWaalsContact C-N 3.34Å; F268-R270 PolarHBondContact O-N 3.46Å; F268-T271 PolarHBondContact O-N 2.95Å; F268-L272 WeakPolarHBondContact O-CG 3.34Å; F268-L272 PolarHBondContact O-N 3.02Å |
| 269 | S | 93.8 | Very high | 83.6 | Confident | 61 Ų | 61 | 66.9 Ų | 66.9 | 43% | 0.427 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -59 | -43.4 | 177.9 | -66 | 0 | 0 | 0 | 0 | 112.2 | A265 Q266 L272 Q273 | A265-S269 PolarHBondContact O-N 2.61Å; A265-S269 PolarHBondContact O-OG 3.4Å; A265-S269 VanDerWaalsContact O-OG 3.09Å; Q266-S269 PolarHBondContact O-N 3.21Å; S269-L272 PolarHBondContact O-N 3.26Å; S269-Q273 VanDerWaalsContact O-CG 3.31Å; S269-Q273 WeakPolarHBondContact O-CG 3.36Å; S269-Q273 PolarHBondContact O-N 3.02Å |
| 270 | R | 90.9 | Very high | 81.1 | Confident | 73 Ų | 73 | 72.4 Ų | 72.4 | 28% | 0.275 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -60.9 | -48.7 | 176.3 | -72.1 | 175.9 | 178 | -158.8 | -2 | 111.5 | D181 Q266 L267 F268 L272 Q273 D274 | D181-R270 IonicContact OD1-CZ 3.42Å; D181-R270 IonicContact OD1-NH2 3.6Å; D181-R270 PolarHBondContact OD1-NH2 3.39Å; Q266-R270 WeakPolarHBondContact O-CG 3.41Å; Q266-R270 PolarHBondContact O-N 2.97Å; L267-R270 PolarHBondContact O-N 2.59Å; F268-R270 VanDerWaalsContact C-N 3.34Å; F268-R270 PolarHBondContact O-N 3.46Å; R270-L272 VanDerWaalsContact C-N 3.32Å; R270-L272 PolarHBondContact O-N 2.99Å; R270-Q273 PolarHBondContact O-N 3.06Å; R270-D274 PolarHBondContact O-N 3.37Å |
| 271 | T | 87.9 | Confident | 78.4 | Confident | 49 Ų | 49 | 77.3 Ų | 77.3 | 30% | 0.301 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -59.5 | -43.2 | 178.1 | -55.6 | 0 | 0 | 0 | 0 | 111.8 | L267 F268 Q273 D274 T275 | L267-T271 PolarHBondContact O-N 3.37Å; L267-T271 VanDerWaalsContact O-N 3.11Å; L267-T271 PolarHBondContact O-OG1 2.96Å; L267-T271 VanDerWaalsContact O-OG1 3.11Å; F268-T271 PolarHBondContact O-N 2.95Å; T271-Q273 VanDerWaalsContact C-N 3.35Å; T271-Q273 PolarHBondContact O-N 3.38Å; T271-D274 PolarHBondContact O-N 3.3Å; T271-T275 WeakPolarHBondContact O-CG2 3.41Å; T271-T275 PolarHBondContact O-N 3.43Å; T271-T275 PolarHBondContact O-OG1 3.21Å |
| 272 | L | 88.5 | Confident | 76 | Confident | 120 Ų | 120 | 77.9 Ų | 77.9 | 63% | 0.628 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -62.9 | -39.8 | 177.3 | -72.2 | 171.5 | 0 | 0 | 0 | 112.4 | F268 S269 R270 T275 S276 | F268-L272 WeakPolarHBondContact O-CG 3.34Å; F268-L272 PolarHBondContact O-N 3.02Å; S269-L272 PolarHBondContact O-N 3.26Å; R270-L272 VanDerWaalsContact C-N 3.32Å; R270-L272 PolarHBondContact O-N 2.99Å; L272-T275 WeakPolarHBondContact CA-OG1 3.31Å; L272-T275 PolarHBondContact O-N 2.97Å; L272-T275 PolarHBondContact O-OG1 3.18Å; L272-S276 PolarHBondContact O-N 3.41Å |
| 273 | Q | 86.4 | Confident | 73.4 | Confident | 106 Ų | 106 | 80.1 Ų | 80.1 | 50% | 0.495 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -65.3 | -44.1 | 176.4 | -73.3 | 171.5 | -4.7 | 0 | 0 | 112 | S269 R270 T271 T275 S276 | S269-Q273 VanDerWaalsContact O-CG 3.31Å; S269-Q273 WeakPolarHBondContact O-CG 3.36Å; S269-Q273 PolarHBondContact O-N 3.02Å; R270-Q273 PolarHBondContact O-N 3.06Å; T271-Q273 VanDerWaalsContact C-N 3.35Å; T271-Q273 PolarHBondContact O-N 3.38Å; Q273-T275 VanDerWaalsContact C-N 3.26Å; Q273-T275 PolarHBondContact O-N 3.18Å; Q273-S276 WeakPolarHBondContact O-CB 3.44Å; Q273-S276 PolarHBondContact O-N 3.36Å |
| 274 | D | 76.3 | Confident | 70.6 | Confident | 101 Ų | 101 | 87.5 Ų | 87.5 | 54% | 0.54 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -65.4 | -29 | 177.8 | -73.7 | -28.8 | 0 | 0 | 0 | 112.6 | R270 T271 | R270-D274 PolarHBondContact O-N 3.37Å; T271-D274 PolarHBondContact O-N 3.3Å |
| 275 | T | 66.1 | Low | 68 | Low | 93 Ų | 93 | 92.8 Ų | 92.8 | 57% | 0.571 | 48% | 0.483 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.2 | -4.7 | 176.6 | 57.6 | 0 | 0 | 0 | 0 | 114.5 | T271 L272 Q273 | T271-T275 WeakPolarHBondContact O-CG2 3.41Å; T271-T275 PolarHBondContact O-N 3.43Å; T271-T275 PolarHBondContact O-OG1 3.21Å; L272-T275 WeakPolarHBondContact CA-OG1 3.31Å; L272-T275 PolarHBondContact O-N 2.97Å; L272-T275 PolarHBondContact O-OG1 3.18Å; Q273-T275 VanDerWaalsContact C-N 3.26Å; Q273-T275 PolarHBondContact O-N 3.18Å |
| 276 | S | 56.7 | Low | 65.3 | Low | 49 Ų | 49 | 98.2 Ų | 98.2 | 34% | 0.343 | 50% | 0.499 | S | S | . | . | S | Bend | trans | -76.5 | 131.9 | 179.1 | -176.1 | 0 | 0 | 0 | 0 | 110.9 | L272 Q273 H278 Y279 | L272-S276 PolarHBondContact O-N 3.41Å; Q273-S276 WeakPolarHBondContact O-CB 3.44Å; Q273-S276 PolarHBondContact O-N 3.36Å; S276-H278 PolarHBondContact O-N 3.38Å; S276-Y279 PolarHBondContact O-N 3.05Å |
| 277 | P | 55.3 | Low | 62.4 | Low | 95 Ų | 95 | 100.7 Ų | 100.7 | 62% | 0.617 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -54.2 | -25.6 | -179.9 | -23.9 | 31.1 | 0 | 0 | 0 | 113.9 | Y279 | P277-Y279 VanDerWaalsContact C-N 3.29Å; P277-Y279 PolarHBondContact O-N 2.96Å |
| 278 | H | 48.8 | Very low | 60 | Low | 145 Ų | 145 | 106.3 Ų | 106.3 | 67% | 0.671 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -70.4 | -22.6 | -177.7 | -146 | -32.2 | 0 | 0 | 0 | 113.6 | S276 | S276-H278 PolarHBondContact O-N 3.38Å |
| 279 | Y | 45.3 | Very low | 57.4 | Low | 121 Ų | 121 | 116.3 Ų | 116.3 | 48% | 0.475 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -92.2 | -25.8 | 179.9 | -104.5 | -88.5 | 0 | 0 | 0 | 113.9 | S276 P277 N281 L282 | S276-Y279 PolarHBondContact O-N 3.05Å; P277-Y279 VanDerWaalsContact C-N 3.29Å; P277-Y279 PolarHBondContact O-N 2.96Å; Y279-N281 VanDerWaalsContact C-N 3.29Å; Y279-N281 PolarHBondContact O-N 3.36Å; Y279-L282 PolarHBondContact O-N 3.29Å |
| 280 | Q | 43.4 | Very low | 55.6 | Low | 133 Ų | 133 | 119.1 Ų | 119.1 | 62% | 0.621 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -63.5 | -38 | 172.8 | -71.9 | -173.1 | -23.9 | 0 | 0 | 111.1 | L282 K283 | Q280-L282 VanDerWaalsContact C-N 3.31Å; Q280-L282 PolarHBondContact O-N 3.47Å; Q280-K283 PolarHBondContact O-N 3.45Å |
| 281 | N | 40.8 | Very low | 53.7 | Low | 103 Ų | 103 | 121.5 Ų | 121.5 | 55% | 0.551 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -71.8 | -18.1 | 177.8 | -66.5 | -16.8 | 0 | 0 | 0 | 114.3 | Y279 V285 | Y279-N281 VanDerWaalsContact C-N 3.29Å; Y279-N281 PolarHBondContact O-N 3.36Å; N281-V285 VanDerWaalsContact O-CG2 3.29Å; N281-V285 WeakPolarHBondContact O-CG2 3.29Å |
| 282 | L | 44.8 | Very low | 51.8 | Low | 99 Ų | 99 | 125.6 Ų | 125.6 | 52% | 0.518 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -85.4 | -25.1 | 178.4 | -79.1 | 163.3 | 0 | 0 | 0 | 112.7 | Y279 Q280 | Y279-L282 PolarHBondContact O-N 3.29Å; Q280-L282 VanDerWaalsContact C-N 3.31Å; Q280-L282 PolarHBondContact O-N 3.47Å |
| 283 | K | 42 | Very low | 49.6 | Very low | 159 Ų | 159 | 125.9 Ų | 125.9 | 69% | 0.691 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -79.3 | -27.6 | 174.9 | -76.2 | -173.7 | 179.1 | 175 | 0 | 113 | Q280 V285 | Q280-K283 PolarHBondContact O-N 3.45Å; K283-V285 VanDerWaalsContact C-N 3.31Å; K283-V285 PolarHBondContact O-N 3.5Å |
| 284 | E | 39.4 | Very low | 47.3 | Very low | 155 Ų | 155 | 127.1 Ų | 127.1 | 72% | 0.724 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -72.9 | -22.2 | 175.3 | -75.7 | -173.5 | 163.4 | 0 | 0 | 113.4 | ||
| 285 | V | 42.2 | Very low | 45.4 | Very low | 120 Ų | 120 | 128.9 Ų | 128.9 | 73% | 0.727 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.4 | -6.2 | -176.3 | -179.1 | 0 | 0 | 0 | 0 | 113.1 | N281 K283 | N281-V285 VanDerWaalsContact O-CG2 3.29Å; N281-V285 WeakPolarHBondContact O-CG2 3.29Å; K283-V285 VanDerWaalsContact C-N 3.31Å; K283-V285 PolarHBondContact O-N 3.5Å |
| 286 | Q | 39.8 | Very low | 43.9 | Very low | 168 Ų | 168 | 131.4 Ų | 131.4 | 79% | 0.785 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.6 | 33.3 | -179.5 | -69.6 | -166.5 | -17.9 | 0 | 0 | 114.5 | ||
| 287 | S | 33.2 | Very low | 42.9 | Very low | 97 Ų | 97 | 137.8 Ų | 137.8 | 68% | 0.678 | 70% | 0.703 | S | S | * | * | trans | -101.9 | 108.5 | 163.7 | -54.1 | 0 | 0 | 0 | 0 | 109 | ||||
| 288 | P | 44.9 | Very low | 41.9 | Very low | 128 Ų | 128 | 141.3 Ų | 141.3 | 83% | 0.831 | 71% | 0.711 | S | S | * | * | trans | -73.9 | 141.1 | 172.7 | 20.3 | -13.4 | 0 | 0 | 0 | 110.4 | ||||
| 289 | Q | 38.3 | Very low | 41.3 | Very low | 268 Ų | 268 | 141 Ų | 141 | 100% | 1.252 | 71% | 0.714 | S | S | * | * | trans | -59.8 | 0 | 166.4 | -72.1 | -176.5 | -24.5 | 0 | 0 | 111.8 |
Retrieved 289 of 289 residues in 148.5 ms
(Link to these results)