| 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 | 53.9 | Low | 90.9 | Very high | 241 Ų | 241 | 78.7 Ų | 78.7 | 100% | 1.187 | 42% | 0.419 | S | S | * | . | 0 | 142.1 | 0 | -66.9 | 176.9 | -152.7 | 0 | 0 | 107.5 | |||||
| 2 | A | 80.1 | Confident | 91.5 | Very high | 94 Ų | 94 | 72.2 Ų | 72.2 | 78% | 0.777 | 38% | 0.384 | S | S | * | . | trans | -60.2 | 140.4 | 171.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | P4 | A2-P4 VanDerWaalsContact O-CD 3.24Å; A2-P4 WeakPolarHBondContact O-CD 3.38Å | ||
| 3 | D | 90.4 | Very high | 92 | Very high | 49 Ų | 49 | 69.2 Ų | 69.2 | 26% | 0.262 | 37% | 0.368 | S | S | . | . | trans | -73.5 | 108.2 | 174.8 | -179.1 | -8.1 | 0 | 0 | 0 | 108.5 | W5 K6 R134 | D3-W5 PolarHBondContact O-N 2.72Å; D3-W5 PolarHBondContact OD1-N 3.37Å; D3-W5 VanDerWaalsContact OD1-N 3.14Å; D3-K6 HydrophobicContact CB-CB 4.14Å; D3-K6 PolarHBondContact O-N 3.07Å; D3-R134 IonicContact OD1-CZ 3.75Å; D3-R134 IonicContact OD1-NE 2.71Å; D3-R134 PolarHBondContact OD1-NE 3.01Å; D3-R134 IonicContact OD1-NH2 3.35Å; D3-R134 PolarHBondContact OD1-NH2 3.21Å; D3-R134 IonicContact OD2-CZ 2.59Å; D3-R134 IonicContact OD2-NE 3.43Å; D3-R134 PolarHBondContact OD2-NE 2.91Å; D3-R134 IonicContact OD2-NH2 2.87Å | ||
| 4 | P | 91.6 | Very high | 92.4 | Very high | 89 Ų | 89 | 73.3 Ų | 73.3 | 58% | 0.578 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.8 | -18.2 | -172.3 | 29.6 | -35.9 | 0 | 0 | 0 | 112.9 | A2 | A2-P4 VanDerWaalsContact O-CD 3.24Å; A2-P4 WeakPolarHBondContact O-CD 3.38Å |
| 5 | W | 97.1 | Very high | 92.8 | Very high | 57 Ų | 57 | 68.6 Ų | 68.6 | 22% | 0.216 | 36% | 0.36 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.3 | 2.6 | -175.6 | -50.4 | 134.7 | 0 | 0 | 0 | 113.1 | D3 E7 C8 M9 P85 F111 V113 F119 R134 | D3-W5 PolarHBondContact O-N 2.72Å; D3-W5 PolarHBondContact OD1-N 3.37Å; D3-W5 VanDerWaalsContact OD1-N 3.14Å; W5-E7 VanDerWaalsContact C-N 3.35Å; W5-E7 PolarHBondContact O-N 3.39Å; W5-C8 WeakPolarHBondContact O-CB 3.45Å; W5-C8 PolarHBondContact O-N 3.44Å; W5-M9 PolarHBondContact O-N 3.41Å; W5-M9 VanDerWaalsContact O-N 3.07Å; W5-P85 HydrophobicContact CH2-CG 4.12Å; W5-F111 HydrophobicContact CB-CE1 4.18Å; W5-F111 AromaticContact CD2-CE1 3.82Å; W5-F111 HydrophobicContact CD2-CE1 3.82Å; W5-F111 HydrophobicContact CD2-CZ 4.33Å; W5-F111 AromaticContact CE3-CE1 3.9Å; W5-F111 HydrophobicContact CE3-CE1 3.9Å; W5-F111 AromaticContact CE3-CZ 3.95Å; W5-F111 HydrophobicContact CE3-CZ 3.95Å; W5-F111 AromaticContact CG-CE1 3.93Å; W5-F111 HydrophobicContact CG-CE1 3.93Å; W5-F111 HydrophobicContact CZ3-CZ 4.27Å; W5-V113 HydrophobicContact CD2-CG2 4.48Å; W5-V113 HydrophobicContact CH2-CG2 4.43Å; W5-V113 HydrophobicContact CZ2-CG1 4.06Å; W5-V113 HydrophobicContact CZ2-CG2 3.88Å; W5-F119 HydrophobicContact CB-CE1 4.45Å; W5-R134 VanDerWaalsContact CD1-NH2 3.35Å |
| 6 | K | 96.2 | Very high | 93.1 | Very high | 110 Ų | 110 | 64.4 Ų | 64.4 | 48% | 0.478 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -60 | -46.1 | 177.2 | -169.1 | -166.2 | -178.7 | -52.7 | 0 | 111.4 | D3 C8 M9 D10 | D3-K6 HydrophobicContact CB-CB 4.14Å; D3-K6 PolarHBondContact O-N 3.07Å; K6-C8 VanDerWaalsContact C-N 3.29Å; K6-C8 PolarHBondContact O-N 3.42Å; K6-M9 PolarHBondContact O-N 2.67Å; K6-M9 VanDerWaalsContact O-N 3.16Å; K6-D10 IonicContact NZ-OD1 3.48Å; K6-D10 PolarHBondContact NZ-OD1 3Å; K6-D10 IonicContact NZ-OD2 2.78Å; K6-D10 PolarHBondContact NZ-OD2 3.5Å; K6-D10 VanDerWaalsContact O-CG 3.24Å; K6-D10 PolarHBondContact O-N 3.42Å |
| 7 | E | 97.6 | Very high | 93.3 | Very high | 113 Ų | 113 | 67.7 Ų | 67.7 | 53% | 0.528 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -63.9 | -35.5 | -179.9 | -174 | 178.2 | -177.3 | 0 | 0 | 112.4 | W5 H11 K61 F62 | W5-E7 VanDerWaalsContact C-N 3.35Å; W5-E7 PolarHBondContact O-N 3.39Å; E7-H11 WeakPolarHBondContact O-CB 3.2Å; E7-H11 PolarHBondContact O-N 3.33Å; E7-K61 WeakPolarHBondContact OE1-CE 3.06Å; E7-K61 IonicContact OE1-NZ 3.45Å; E7-K61 PolarHBondContact OE1-NZ 2.93Å; E7-K61 VanDerWaalsContact OE1-NZ 3.14Å; E7-F62 HydrophobicContact CG-CZ 4.48Å |
| 8 | C | 98.5 | Very high | 93.5 | Very high | 4 Ų | 4 | 70 Ų | 70 | 3% | 0.027 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -61.5 | -46.9 | 173.3 | -67.1 | 0 | 0 | 0 | 0 | 110.9 | W5 K6 C12 F62 W87 F111 F119 | W5-C8 WeakPolarHBondContact O-CB 3.45Å; W5-C8 PolarHBondContact O-N 3.44Å; K6-C8 VanDerWaalsContact C-N 3.29Å; K6-C8 PolarHBondContact O-N 3.42Å; C8-C12 VanDerWaalsContact O-CB 3.27Å; C8-C12 WeakPolarHBondContact O-CB 3.42Å; C8-C12 PolarHBondContact O-N 3.12Å; C8-F62 HydrophobicContact CB-CZ 4.33Å; C8-W87 HydrophobicContact CB-CH2 3.66Å; C8-W87 HydrophobicContact CB-CZ2 4.1Å; C8-W87 WeakPolarHBondContact O-CH2 3.46Å; C8-F111 HydrophobicContact CB-CZ 4.49Å; C8-F119 HydrophobicContact CB-CE1 3.83Å; C8-F119 HydrophobicContact CB-CZ 3.99Å |
| 9 | M | 98.4 | Very high | 93.6 | Very high | 24 Ų | 24 | 66.3 Ų | 66.3 | 12% | 0.118 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -65.6 | -45 | 178.9 | -173.3 | -178.1 | -178.7 | 0 | 0 | 112.2 | W5 K6 C12 L13 F119 T132 R134 | W5-M9 PolarHBondContact O-N 3.41Å; W5-M9 VanDerWaalsContact O-N 3.07Å; K6-M9 PolarHBondContact O-N 2.67Å; K6-M9 VanDerWaalsContact O-N 3.16Å; M9-C12 PolarHBondContact O-N 2.9Å; M9-L13 HydrophobicContact CG-CD1 4.41Å; M9-L13 WeakPolarHBondContact O-CG 3.47Å; M9-L13 PolarHBondContact O-N 3.21Å; M9-F119 HydrophobicContact CB-CD1 3.98Å; M9-F119 HydrophobicContact CB-CD2 4.19Å; M9-F119 HydrophobicContact CB-CE1 3.94Å; M9-F119 HydrophobicContact CB-CE2 4.17Å; M9-F119 HydrophobicContact CB-CG 4.1Å; M9-F119 HydrophobicContact CB-CZ 4.04Å; M9-F119 HydrophobicContact CG-CD1 4.5Å; M9-F119 HydrophobicContact CG-CD2 4.03Å; M9-F119 HydrophobicContact CG-CE2 4.33Å; M9-F119 HydrophobicContact CG-CG 4.13Å; M9-F119 HydrophobicContact SD-CB 4.23Å; M9-F119 HydrophobicContact SD-CG 4.44Å; M9-T132 HydrophobicContact CE-CG2 4.46Å; M9-R134 HydrophobicContact CE-CB 4.36Å; M9-R134 HydrophobicContact SD-CB 3.78Å; M9-R134 HydrophobicContact SD-CG 4.42Å |
| 10 | D | 98.1 | Very high | 93.7 | Very high | 62 Ų | 62 | 63 Ų | 63 | 33% | 0.332 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -60.2 | -47.4 | 179 | -66.2 | -22.7 | 0 | 0 | 0 | 110.9 | K6 C12 L13 E14 | K6-D10 IonicContact NZ-OD1 3.48Å; K6-D10 PolarHBondContact NZ-OD1 3Å; K6-D10 IonicContact NZ-OD2 2.78Å; K6-D10 PolarHBondContact NZ-OD2 3.5Å; K6-D10 VanDerWaalsContact O-CG 3.24Å; K6-D10 PolarHBondContact O-N 3.42Å; D10-C12 PolarHBondContact O-N 3.35Å; D10-L13 WeakPolarHBondContact O-CB 3.45Å; D10-L13 PolarHBondContact O-N 2.65Å; D10-E14 PolarHBondContact O-N 3.11Å |
| 11 | H | 98.3 | Very high | 93.7 | Very high | 23 Ų | 23 | 66.2 Ų | 66.2 | 11% | 0.106 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -60.4 | -45.4 | 175.9 | -173 | 75.9 | 0 | 0 | 0 | 111.5 | E7 L13 E14 V15 S57 K61 F62 | E7-H11 WeakPolarHBondContact O-CB 3.2Å; E7-H11 PolarHBondContact O-N 3.33Å; H11-L13 VanDerWaalsContact C-N 3.28Å; H11-L13 PolarHBondContact O-N 3.47Å; H11-E14 PolarHBondContact O-N 3.3Å; H11-E14 VanDerWaalsContact O-N 3.15Å; H11-V15 WeakPolarHBondContact O-CG2 3.27Å; H11-V15 PolarHBondContact O-N 3.47Å; H11-V15 VanDerWaalsContact O-N 3.07Å; H11-S57 PolarHBondContact NE2-O 3.33Å; H11-S57 PolarHBondContact NE2-OG 3.21Å; H11-K61 HydrophobicContact CB-CD 4.09Å; H11-K61 WeakPolarHBondContact ND1-CD 3.46Å; H11-F62 HydrophobicContact CB-CE2 4.18Å |
| 12 | C | 97.9 | Very high | 95.6 | Very high | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -61 | -37.6 | 178.8 | -165.1 | 0 | 0 | 0 | 0 | 112.2 | C8 M9 D10 E14 V15 T16 W87 F119 I121 | C8-C12 VanDerWaalsContact O-CB 3.27Å; C8-C12 WeakPolarHBondContact O-CB 3.42Å; C8-C12 PolarHBondContact O-N 3.12Å; M9-C12 PolarHBondContact O-N 2.9Å; D10-C12 PolarHBondContact O-N 3.35Å; C12-E14 PolarHBondContact O-N 3.17Å; C12-V15 PolarHBondContact O-N 3.17Å; C12-T16 VanDerWaalsContact O-CB 3.32Å; C12-T16 WeakPolarHBondContact O-CB 3.43Å; C12-T16 PolarHBondContact O-N 2.64Å; C12-T16 PolarHBondContact O-OG1 3.04Å; C12-W87 HydrophobicContact CB-CH2 4.39Å; C12-W87 HydrophobicContact CB-CZ3 3.78Å; C12-F119 HydrophobicContact CB-CE2 4.35Å; C12-I121 HydrophobicContact CB-CD1 3.73Å |
| 13 | L | 97.9 | Very high | 96.2 | Very high | 33 Ų | 33 | 53.2 Ų | 53.2 | 17% | 0.173 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -63.6 | -39 | 175.1 | -76.3 | 168 | 0 | 0 | 0 | 112.8 | M9 D10 H11 K17 I121 M130 T132 | M9-L13 HydrophobicContact CG-CD1 4.41Å; M9-L13 WeakPolarHBondContact O-CG 3.47Å; M9-L13 PolarHBondContact O-N 3.21Å; D10-L13 WeakPolarHBondContact O-CB 3.45Å; D10-L13 PolarHBondContact O-N 2.65Å; H11-L13 VanDerWaalsContact C-N 3.28Å; H11-L13 PolarHBondContact O-N 3.47Å; L13-K17 VanDerWaalsContact O-CG 3.28Å; L13-K17 WeakPolarHBondContact O-CG 3.22Å; L13-K17 PolarHBondContact O-N 2.98Å; L13-K17 VanDerWaalsContact O-N 3.12Å; L13-I121 HydrophobicContact CB-CD1 4.48Å; L13-I121 HydrophobicContact CD2-CD1 3.66Å; L13-I121 HydrophobicContact CD2-CG1 3.99Å; L13-I121 HydrophobicContact CD2-CG2 4.06Å; L13-I121 HydrophobicContact CG-CD1 3.65Å; L13-I121 HydrophobicContact CG-CG1 4.41Å; L13-M130 HydrophobicContact CD2-CG 4.18Å; L13-M130 HydrophobicContact CD2-SD 4.07Å; L13-T132 HydrophobicContact CD2-CG2 3.52Å |
| 14 | E | 97.9 | Very high | 96.2 | Very high | 127 Ų | 127 | 54.1 Ų | 54.1 | 59% | 0.593 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -64.3 | -49.2 | 176.6 | -68.9 | 174.6 | 177 | 0 | 0 | 110.8 | D10 H11 C12 T16 K17 E18 | D10-E14 PolarHBondContact O-N 3.11Å; H11-E14 PolarHBondContact O-N 3.3Å; H11-E14 VanDerWaalsContact O-N 3.15Å; C12-E14 PolarHBondContact O-N 3.17Å; E14-T16 VanDerWaalsContact C-N 3.34Å; E14-T16 PolarHBondContact O-N 3.44Å; E14-K17 WeakPolarHBondContact O-CB 3.31Å; E14-K17 PolarHBondContact O-N 3.48Å; E14-E18 PolarHBondContact O-N 3.2Å; E14-E18 VanDerWaalsContact O-N 3.14Å |
| 15 | V | 97.5 | Very high | 96.2 | Very high | 3 Ų | 3 | 55 Ų | 55 | 2% | 0.018 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -63.4 | -39.8 | 178.8 | 179.7 | 0 | 0 | 0 | 0 | 111.6 | H11 C12 K17 E18 A19 I54 S57 | H11-V15 WeakPolarHBondContact O-CG2 3.27Å; H11-V15 PolarHBondContact O-N 3.47Å; H11-V15 VanDerWaalsContact O-N 3.07Å; C12-V15 PolarHBondContact O-N 3.17Å; V15-K17 VanDerWaalsContact C-N 3.33Å; V15-K17 PolarHBondContact O-N 2.96Å; V15-E18 PolarHBondContact O-N 3.44Å; V15-A19 WeakPolarHBondContact O-CB 3.23Å; V15-A19 PolarHBondContact O-N 3.22Å; V15-I54 HydrophobicContact CG1-CB 4.31Å; V15-I54 HydrophobicContact CG1-CG1 4.03Å; V15-I54 HydrophobicContact CG1-CG2 4.5Å; V15-S57 WeakPolarHBondContact CG2-OG 3.45Å |
| 16 | T | 97.6 | Very high | 95.8 | Very high | 1 Ų | 1 | 53.1 Ų | 53.1 | 1% | 0.006 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -62.7 | -39.5 | 176.4 | -55.1 | 0 | 0 | 0 | 0 | 111.2 | C12 E14 E18 G20 M107 I109 I121 Y123 M130 | C12-T16 VanDerWaalsContact O-CB 3.32Å; C12-T16 WeakPolarHBondContact O-CB 3.43Å; C12-T16 PolarHBondContact O-N 2.64Å; C12-T16 PolarHBondContact O-OG1 3.04Å; E14-T16 VanDerWaalsContact C-N 3.34Å; E14-T16 PolarHBondContact O-N 3.44Å; T16-E18 VanDerWaalsContact C-N 3.33Å; T16-E18 PolarHBondContact O-N 3.05Å; T16-G20 PolarHBondContact O-N 3.39Å; T16-M107 HydrophobicContact CG2-CE 3.71Å; T16-M107 VanDerWaalsContact O-CE 3.28Å; T16-M107 WeakPolarHBondContact O-CE 3.24Å; T16-I109 WeakPolarHBondContact OG1-CD1 3.07Å; T16-I121 HydrophobicContact CG2-CG2 4.02Å; T16-Y123 HydrophobicContact CG2-CG 4.4Å; T16-M130 HydrophobicContact CG2-CE 3.85Å; T16-M130 HydrophobicContact CG2-SD 4.2Å |
| 17 | K | 96.8 | Very high | 95.4 | Very high | 121 Ų | 121 | 48.8 Ų | 48.8 | 53% | 0.526 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -65.9 | -37.3 | 176.4 | -72.9 | 167.9 | -175.8 | 173.1 | 0 | 112 | L13 E14 V15 K21 M130 | L13-K17 VanDerWaalsContact O-CG 3.28Å; L13-K17 WeakPolarHBondContact O-CG 3.22Å; L13-K17 PolarHBondContact O-N 2.98Å; L13-K17 VanDerWaalsContact O-N 3.12Å; E14-K17 WeakPolarHBondContact O-CB 3.31Å; E14-K17 PolarHBondContact O-N 3.48Å; V15-K17 VanDerWaalsContact C-N 3.33Å; V15-K17 PolarHBondContact O-N 2.96Å; K17-K21 PolarHBondContact O-N 3.09Å; K17-M130 HydrophobicContact CG-CE 3.98Å |
| 18 | E | 96.4 | Very high | 94.8 | Very high | 109 Ų | 109 | 51.5 Ų | 51.5 | 51% | 0.509 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -66.7 | -51.9 | 175.8 | -173.5 | 179.4 | 178.1 | 0 | 0 | 111.3 | E14 V15 T16 G20 K21 M22 L53 | E14-E18 PolarHBondContact O-N 3.2Å; E14-E18 VanDerWaalsContact O-N 3.14Å; V15-E18 PolarHBondContact O-N 3.44Å; T16-E18 VanDerWaalsContact C-N 3.33Å; T16-E18 PolarHBondContact O-N 3.05Å; E18-G20 PolarHBondContact O-N 3.29Å; E18-K21 WeakPolarHBondContact O-CB 3.3Å; E18-K21 PolarHBondContact O-N 3.37Å; E18-K21 VanDerWaalsContact O-N 3.13Å; E18-M22 PolarHBondContact O-N 2.99Å; E18-L53 HydrophobicContact CG-CD2 4.18Å |
| 19 | A | 96.3 | Very high | 94 | Very high | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -58 | -37.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | V15 K21 M22 I23 V50 L53 I54 M107 | V15-A19 WeakPolarHBondContact O-CB 3.23Å; V15-A19 PolarHBondContact O-N 3.22Å; A19-K21 VanDerWaalsContact C-N 3.3Å; A19-K21 PolarHBondContact O-N 2.86Å; A19-M22 VanDerWaalsContact O-CB 3.28Å; A19-M22 WeakPolarHBondContact O-CB 3.39Å; A19-M22 PolarHBondContact O-N 3.31Å; A19-I23 PolarHBondContact O-N 3.13Å; A19-I23 VanDerWaalsContact O-N 3.08Å; A19-V50 HydrophobicContact CB-CG1 4.08Å; A19-L53 HydrophobicContact CB-CD2 4.1Å; A19-I54 HydrophobicContact CB-CD1 4.3Å; A19-I54 HydrophobicContact CB-CG1 4.2Å; A19-M107 HydrophobicContact CB-CE 4.06Å; A19-M107 HydrophobicContact CB-SD 3.48Å; A19-M107 WeakPolarHBondContact CB-SD 3.49Å |
| 20 | G | 94.8 | Very high | 92.9 | Very high | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -62.9 | -34.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | T16 E18 I23 Q24 M107 | T16-G20 PolarHBondContact O-N 3.39Å; E18-G20 PolarHBondContact O-N 3.29Å; G20-I23 PolarHBondContact O-N 3.35Å; G20-Q24 VanDerWaalsContact O-CG 3.29Å; G20-Q24 WeakPolarHBondContact O-CG 3.41Å; G20-Q24 PolarHBondContact O-N 2.6Å; G20-M107 VanDerWaalsContact CA-CE 3.5Å |
| 21 | K | 93.9 | Very high | 91.9 | Very high | 131 Ų | 131 | 62.6 Ų | 62.6 | 57% | 0.57 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -65.5 | -40.8 | 172.9 | -67.2 | 173 | -176.7 | 176.6 | 0 | 111.1 | K17 E18 A19 I23 Q24 E25 | K17-K21 PolarHBondContact O-N 3.09Å; E18-K21 WeakPolarHBondContact O-CB 3.3Å; E18-K21 PolarHBondContact O-N 3.37Å; E18-K21 VanDerWaalsContact O-N 3.13Å; A19-K21 VanDerWaalsContact C-N 3.3Å; A19-K21 PolarHBondContact O-N 2.86Å; K21-I23 VanDerWaalsContact C-N 3.33Å; K21-I23 PolarHBondContact O-N 3.1Å; K21-Q24 PolarHBondContact O-N 3.47Å; K21-E25 WeakPolarHBondContact O-CB 3.35Å; K21-E25 WeakPolarHBondContact O-CG 3.28Å; K21-E25 PolarHBondContact O-N 3.12Å |
| 22 | M | 94 | Very high | 90.6 | Very high | 62 Ų | 62 | 64.5 Ų | 64.5 | 31% | 0.305 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -59 | -44.4 | 176.6 | -172.4 | -173.8 | -63.8 | 0 | 0 | 111.5 | E18 A19 E25 A26 K49 V50 L53 | E18-M22 PolarHBondContact O-N 2.99Å; A19-M22 VanDerWaalsContact O-CB 3.28Å; A19-M22 WeakPolarHBondContact O-CB 3.39Å; A19-M22 PolarHBondContact O-N 3.31Å; M22-E25 PolarHBondContact O-N 3Å; M22-A26 WeakPolarHBondContact O-CB 3.48Å; M22-A26 PolarHBondContact O-N 2.82Å; M22-K49 HydrophobicContact SD-CB 3.88Å; M22-V50 HydrophobicContact CG-CG2 4.39Å; M22-V50 HydrophobicContact SD-CG2 3.77Å; M22-L53 HydrophobicContact CE-CD2 3.83Å |
| 23 | I | 92.5 | Very high | 89.6 | Confident | 0 Ų | 0 | 68.9 Ų | 68.9 | 0% | 0 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -64.2 | -45.5 | 176.6 | -64.5 | 171.2 | 0 | 0 | 0 | 110.9 | A19 G20 K21 E25 A26 L27 T46 V50 I92 F98 V105 M107 C125 | A19-I23 PolarHBondContact O-N 3.13Å; A19-I23 VanDerWaalsContact O-N 3.08Å; G20-I23 PolarHBondContact O-N 3.35Å; K21-I23 VanDerWaalsContact C-N 3.33Å; K21-I23 PolarHBondContact O-N 3.1Å; I23-E25 VanDerWaalsContact C-N 3.34Å; I23-E25 PolarHBondContact O-N 3.47Å; I23-A26 PolarHBondContact O-N 2.96Å; I23-L27 HydrophobicContact CG2-CD1 4.39Å; I23-L27 WeakPolarHBondContact O-CG 3.36Å; I23-L27 PolarHBondContact O-N 2.8Å; I23-T46 HydrophobicContact CG1-CG2 4.41Å; I23-V50 HydrophobicContact CD1-CG1 4.4Å; I23-V50 HydrophobicContact CD1-CG2 4.2Å; I23-V50 HydrophobicContact CG1-CG2 3.75Å; I23-I92 HydrophobicContact CD1-CD1 4.47Å; I23-I92 HydrophobicContact CD1-CG1 4.01Å; I23-I92 HydrophobicContact CG1-CD1 4.26Å; I23-I92 HydrophobicContact CG1-CG1 4.33Å; I23-F98 HydrophobicContact CG2-CD2 4.21Å; I23-F98 HydrophobicContact CG2-CE2 3.96Å; I23-V105 HydrophobicContact CG2-CG1 4.27Å; I23-M107 HydrophobicContact CD1-CE 4.05Å; I23-M107 HydrophobicContact CD1-CG 3.56Å; I23-M107 HydrophobicContact CD1-SD 3.66Å; I23-C125 HydrophobicContact CG2-CB 3.97Å |
| 24 | Q | 91.4 | Very high | 88.5 | Confident | 68 Ų | 68 | 70.4 Ų | 70.4 | 32% | 0.318 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -61.2 | -40.9 | 178.2 | -74.1 | 175.1 | -9.8 | 0 | 0 | 112.4 | G20 K21 L27 Y123 C125 | G20-Q24 VanDerWaalsContact O-CG 3.29Å; G20-Q24 WeakPolarHBondContact O-CG 3.41Å; G20-Q24 PolarHBondContact O-N 2.6Å; K21-Q24 PolarHBondContact O-N 3.47Å; Q24-L27 PolarHBondContact O-N 2.73Å; Q24-Y123 PolarHBondContact NE2-OH 2.84Å; Q24-C125 PolarHBondContact NE2-O 2.85Å |
| 25 | E | 91.1 | Very high | 87.3 | Confident | 108 Ų | 108 | 70.5 Ų | 70.5 | 51% | 0.505 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -66.9 | -37.1 | 175.1 | -73.4 | 177.2 | -165.5 | 0 | 0 | 112.3 | K21 M22 I23 Q28 | K21-E25 WeakPolarHBondContact O-CB 3.35Å; K21-E25 WeakPolarHBondContact O-CG 3.28Å; K21-E25 PolarHBondContact O-N 3.12Å; M22-E25 PolarHBondContact O-N 3Å; I23-E25 VanDerWaalsContact C-N 3.34Å; I23-E25 PolarHBondContact O-N 3.47Å; E25-Q28 PolarHBondContact O-N 2.83Å |
| 26 | A | 89.8 | Confident | 85.9 | Confident | 17 Ų | 17 | 73 Ų | 73 | 14% | 0.14 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -67 | -36.7 | 178 | 0 | 0 | 0 | 0 | 0 | 112.1 | M22 I23 Q28 K29 T46 F98 | M22-A26 WeakPolarHBondContact O-CB 3.48Å; M22-A26 PolarHBondContact O-N 2.82Å; I23-A26 PolarHBondContact O-N 2.96Å; A26-Q28 PolarHBondContact O-N 3.18Å; A26-K29 PolarHBondContact O-N 3.37Å; A26-K29 VanDerWaalsContact O-N 3.09Å; A26-T46 HydrophobicContact CB-CG2 3.67Å; A26-F98 HydrophobicContact CB-CE2 4.22Å; A26-F98 HydrophobicContact CB-CZ 3.76Å |
| 27 | L | 86.3 | Confident | 84.3 | Confident | 19 Ų | 19 | 77 Ų | 77 | 10% | 0.099 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -61.4 | -24.5 | 175.4 | -76 | 168 | 0 | 0 | 0 | 113.7 | I23 Q24 F98 R101 Q126 | I23-L27 HydrophobicContact CG2-CD1 4.39Å; I23-L27 WeakPolarHBondContact O-CG 3.36Å; I23-L27 PolarHBondContact O-N 2.8Å; Q24-L27 PolarHBondContact O-N 2.73Å; L27-F98 HydrophobicContact CD1-CD2 4.48Å; L27-F98 HydrophobicContact CD2-CD2 3.42Å; L27-F98 VanDerWaalsContact CD2-CD2 3.42Å; L27-F98 HydrophobicContact CD2-CE2 3.65Å; L27-F98 HydrophobicContact CD2-CG 4.24Å; L27-F98 HydrophobicContact CG-CD2 3.81Å; L27-F98 HydrophobicContact CG-CE2 3.62Å; L27-R101 HydrophobicContact CD2-CG 4.42Å; L27-R101 PolarHBondContact O-NE 2.99Å; L27-Q126 HydrophobicContact CD1-CG 3.42Å; L27-Q126 VanDerWaalsContact CD1-CG 3.42Å |
| 28 | Q | 84.6 | Confident | 82.2 | Confident | 169 Ų | 169 | 71.9 Ų | 71.9 | 79% | 0.79 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.7 | -8.1 | 178.4 | -63.7 | -176.9 | 7.1 | 0 | 0 | 113.8 | E25 A26 | E25-Q28 PolarHBondContact O-N 2.83Å; A26-Q28 PolarHBondContact O-N 3.18Å |
| 29 | K | 82.8 | Confident | 80.1 | Confident | 129 Ų | 129 | 71.1 Ų | 71.1 | 56% | 0.561 | 37% | 0.366 | S | S | * | . | S | Bend | trans | -110.6 | 174.8 | -176.8 | -65.6 | 173 | -174.4 | 166.4 | 0 | 110.8 | A26 R101 | A26-K29 PolarHBondContact O-N 3.37Å; A26-K29 VanDerWaalsContact O-N 3.09Å; K29-R101 PolarHBondContact O-NH2 2.94Å |
| 30 | D | 75.9 | Confident | 78.2 | Confident | 162 Ų | 162 | 74.5 Ų | 74.5 | 87% | 0.866 | 39% | 0.387 | S | S | * | . | P | Polyproline II helix | trans | -68.9 | 130 | 165.8 | -70.4 | -33.3 | 0 | 0 | 0 | 109.6 | ||
| 31 | I | 76.1 | Confident | 76.9 | Confident | 32 Ų | 32 | 76.5 Ų | 76.5 | 16% | 0.164 | 40% | 0.398 | C | S | . | . | P | Polyproline II helix | trans | -95.8 | 122 | -174.9 | -60.8 | 171.3 | 0 | 0 | 0 | 108.5 | I33 T44 F98 | I31-I33 HydrophobicContact CG2-CG1 4.35Å; I31-T44 HydrophobicContact CG2-CG2 3.64Å; I31-F98 HydrophobicContact CD1-CD1 4.14Å; I31-F98 HydrophobicContact CD1-CE1 3.84Å; I31-F98 HydrophobicContact CD1-CZ 4.13Å; I31-F98 WeakPolarHBondContact CD1-O 3.26Å; I31-F98 HydrophobicContact CG1-CE1 4.2Å; I31-F98 HydrophobicContact CG1-CZ 4.44Å; I31-F98 HydrophobicContact CG2-CD1 4.31Å; I31-F98 HydrophobicContact CG2-CE1 3.75Å |
| 32 | S | 71.4 | Confident | 76 | Confident | 64 Ų | 64 | 71.3 Ų | 71.3 | 45% | 0.448 | 38% | 0.376 | S | S | . | . | P | Polyproline II helix | trans | -77.6 | 118.5 | 170.1 | -172.7 | 0 | 0 | 0 | 0 | 109.4 | T44 | S32-T44 WeakPolarHBondContact O-CB 3.43Š|
| 33 | I | 76.1 | Confident | 75.4 | Confident | 92 Ų | 92 | 68.8 Ų | 68.8 | 47% | 0.472 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 128 | -175.1 | -54.3 | 165.3 | 0 | 0 | 0 | 109.4 | I31 L42 V99 | I31-I33 HydrophobicContact CG2-CG1 4.35Å; I33-L42 HydrophobicContact CG2-CD1 4.45Å; I33-L42 HydrophobicContact CG2-CD2 4.03Å; I33-V99 HydrophobicContact CD1-CG1 3.49Å; I33-V99 VanDerWaalsContact CD1-CG1 3.49Å; I33-V99 HydrophobicContact CD1-CG2 4.49Å; I33-V99 HydrophobicContact CG1-CG1 4.04Å; I33-V99 HydrophobicContact CG1-CG2 4.13Å |
| 34 | M | 75.1 | Confident | 74.9 | Confident | 65 Ų | 65 | 68.8 Ų | 68.8 | 32% | 0.32 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 163.1 | 169.8 | -63.3 | 177.9 | -73.8 | 0 | 0 | 109.5 | V43 E45 | M34-V43 CarbonylContact C-O 3.58Å; M34-V43 WeakPolarHBondContact CA-O 3.43Å; M34-V43 HydrophobicContact CB-CG1 3.65Å; M34-V43 WeakPolarHBondContact CB-O 3.27Å; M34-V43 HydrophobicContact CE-CG1 4.41Å; M34-V43 PolarHBondContact N-O 2.54Å; M34-V43 PolarHBondContact O-N 3.33Å; M34-V43 VanDerWaalsContact O-O 3.07Å; M34-E45 HydrophobicContact CE-CG 3.94Å |
| 35 | Q | 73.4 | Confident | 74.8 | Confident | 129 Ų | 129 | 69.5 Ų | 69.5 | 60% | 0.603 | 37% | 0.367 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 139.5 | 178.7 | -65 | 178.4 | -3.1 | 0 | 0 | 109.9 | L42 | Q35-L42 HydrophobicContact CG-CD2 4.3Å |
| 36 | K | 67.9 | Low | 74.7 | Confident | 56 Ų | 56 | 65.2 Ų | 65.2 | 24% | 0.243 | 35% | 0.349 | C | S | . | . | S | Bend | trans | -93.1 | -108.1 | 174.2 | -62.7 | -174.5 | -170.3 | -173.9 | 0 | 110.6 | D41 V43 E70 E71 | K36-D41 HydrophobicContact CB-CB 4.43Å; K36-D41 VanDerWaalsContact CB-OD2 3.29Å; K36-D41 WeakPolarHBondContact CB-OD2 2.95Å; K36-D41 PolarHBondContact N-O 3.26Å; K36-V43 HydrophobicContact CD-CB 4.23Å; K36-V43 VanDerWaalsContact CE-CB 3.42Å; K36-V43 HydrophobicContact CG-CB 3.8Å; K36-V43 HydrophobicContact CG-CG1 3.78Å; K36-E70 IonicContact NZ-OE1 2.65Å; K36-E70 PolarHBondContact NZ-OE1 2.85Å; K36-E71 WeakPolarHBondContact CE-OE1 3.46Å; K36-E71 WeakPolarHBondContact CE-OE2 3.24Å; K36-E71 VanDerWaalsContact NZ-CD 3.35Å; K36-E71 IonicContact NZ-OE1 2.8Å; K36-E71 PolarHBondContact NZ-OE1 2.94Å; K36-E71 IonicContact NZ-OE2 2.74Å; K36-E71 PolarHBondContact NZ-OE2 3.46Å |
| 37 | S | 63.8 | Low | 74.8 | Confident | 84 Ų | 84 | 64.4 Ų | 64.4 | 59% | 0.587 | 34% | 0.342 | S | S | * | . | S | Bend | trans | -84.9 | -14.8 | -172.1 | 74.5 | 0 | 0 | 0 | 0 | 114.1 | D41 K167 | S37-D41 VanDerWaalsContact CB-OD2 3.25Å; S37-D41 WeakPolarHBondContact CB-OD2 3.16Å; S37-D41 PolarHBondContact N-OD2 3.15Å; S37-D41 PolarHBondContact OG-OD2 3.37Å; S37-K167 PolarHBondContact O-NZ 2.87Å |
| 38 | S | 52.5 | Low | 75 | Confident | 14 Ų | 14 | 68 Ų | 68 | 10% | 0.098 | 36% | 0.358 | C | S | . | . | S | Bend | trans | -156.4 | 164.1 | -178.2 | 83.6 | 0 | 0 | 0 | 0 | 112.4 | V40 D41 | S38-V40 PolarHBondContact O-N 3.04Å; S38-V40 WeakPolarHBondContact OG-CG2 3.48Å; S38-V40 PolarHBondContact OG-N 3.31Å; S38-D41 PolarHBondContact O-N 3.19Å; S38-D41 WeakPolarHBondContact OG-CB 3.34Å; S38-D41 PolarHBondContact OG-N 2.94Å |
| 39 | P | 51.7 | Low | 75.5 | Confident | 92 Ų | 92 | 64.8 Ų | 64.8 | 60% | 0.597 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61 | -13.9 | 177.9 | -24.4 | 35 | 0 | 0 | 0 | 115.3 | ||
| 40 | V | 57.9 | Low | 76.1 | Confident | 72 Ų | 72 | 58.7 Ų | 58.7 | 44% | 0.436 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110.5 | -2.4 | 179.8 | -62.1 | 0 | 0 | 0 | 0 | 112.5 | S38 F165 | S38-V40 PolarHBondContact O-N 3.04Å; S38-V40 WeakPolarHBondContact OG-CG2 3.48Å; S38-V40 PolarHBondContact OG-N 3.31Å; V40-F165 HydrophobicContact CB-CD1 3.75Å; V40-F165 HydrophobicContact CB-CE1 4.14Å; V40-F165 HydrophobicContact CB-CG 4.38Å; V40-F165 HydrophobicContact CG2-CB 3.79Å; V40-F165 HydrophobicContact CG2-CD1 3.59Å; V40-F165 HydrophobicContact CG2-CE1 4.46Å; V40-F165 HydrophobicContact CG2-CG 3.89Å |
| 41 | D | 66.6 | Low | 77.1 | Confident | 42 Ų | 42 | 51.3 Ų | 51.3 | 23% | 0.225 | 28% | 0.275 | C | S | . | . | S | Bend | trans | -101.2 | 97.6 | 175.2 | -179.7 | 17.4 | 0 | 0 | 0 | 107.4 | K36 S37 S38 | K36-D41 HydrophobicContact CB-CB 4.43Å; K36-D41 VanDerWaalsContact CB-OD2 3.29Å; K36-D41 WeakPolarHBondContact CB-OD2 2.95Å; K36-D41 PolarHBondContact N-O 3.26Å; S37-D41 VanDerWaalsContact CB-OD2 3.25Å; S37-D41 WeakPolarHBondContact CB-OD2 3.16Å; S37-D41 PolarHBondContact N-OD2 3.15Å; S37-D41 PolarHBondContact OG-OD2 3.37Å; S38-D41 PolarHBondContact O-N 3.19Å; S38-D41 WeakPolarHBondContact OG-CB 3.34Å; S38-D41 PolarHBondContact OG-N 2.94Å |
| 42 | L | 75.9 | Confident | 78.2 | Confident | 22 Ų | 22 | 56.4 Ų | 56.4 | 12% | 0.115 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 150 | -166.2 | -55.8 | -178.9 | 0 | 0 | 0 | 110.7 | I33 Q35 T95 V99 | I33-L42 HydrophobicContact CG2-CD1 4.45Å; I33-L42 HydrophobicContact CG2-CD2 4.03Å; Q35-L42 HydrophobicContact CG-CD2 4.3Å; L42-T95 HydrophobicContact CB-CG2 4.33Å; L42-T95 WeakPolarHBondContact O-CG2 3.32Å; L42-V99 HydrophobicContact CD1-CB 4.19Å; L42-V99 HydrophobicContact CD1-CG1 4.12Å; L42-V99 HydrophobicContact CD1-CG2 3.99Å |
| 43 | V | 80.3 | Confident | 79.4 | Confident | 8 Ų | 8 | 55 Ų | 55 | 5% | 0.048 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 148.2 | 169.4 | 64.5 | 0 | 0 | 0 | 0 | 108.9 | M34 K36 D47 E71 | M34-V43 CarbonylContact C-O 3.58Å; M34-V43 WeakPolarHBondContact CA-O 3.43Å; M34-V43 HydrophobicContact CB-CG1 3.65Å; M34-V43 WeakPolarHBondContact CB-O 3.27Å; M34-V43 HydrophobicContact CE-CG1 4.41Å; M34-V43 PolarHBondContact N-O 2.54Å; M34-V43 PolarHBondContact O-N 3.33Å; M34-V43 VanDerWaalsContact O-O 3.07Å; K36-V43 HydrophobicContact CD-CB 4.23Å; K36-V43 VanDerWaalsContact CE-CB 3.42Å; K36-V43 HydrophobicContact CG-CB 3.8Å; K36-V43 HydrophobicContact CG-CG1 3.78Å; V43-D47 HydrophobicContact CG2-CB 3.94Å; V43-E71 WeakPolarHBondContact CG2-OE1 3.48Å; V43-E71 WeakPolarHBondContact CG2-OE2 3.34Å |
| 44 | T | 83 | Confident | 80.5 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 164.7 | 173.5 | 81.6 | 0 | 0 | 0 | 0 | 110.1 | I31 S32 T46 D47 T95 F98 V99 | I31-T44 HydrophobicContact CG2-CG2 3.64Å; S32-T44 WeakPolarHBondContact O-CB 3.43Å; T44-T46 PolarHBondContact O-N 3.1Å; T44-T46 VanDerWaalsContact O-N 3.13Å; T44-T46 VanDerWaalsContact OG1-CB 3.25Å; T44-T46 WeakPolarHBondContact OG1-CB 3.35Å; T44-T46 PolarHBondContact OG1-N 3.36Å; T44-T46 VanDerWaalsContact OG1-N 3.12Å; T44-T46 PolarHBondContact OG1-OG1 3.39Å; T44-D47 VanDerWaalsContact CA-OD2 3.31Å; T44-D47 WeakPolarHBondContact CA-OD2 3.48Å; T44-D47 VanDerWaalsContact CB-OD2 3.27Å; T44-D47 WeakPolarHBondContact CB-OD2 3.27Å; T44-D47 PolarHBondContact N-OD2 2.8Å; T44-D47 PolarHBondContact O-N 2.86Å; T44-D47 PolarHBondContact OG1-OD2 2.77Å; T44-T95 HydrophobicContact CG2-CG2 4.26Å; T44-F98 HydrophobicContact CG2-CD1 3.87Å; T44-F98 HydrophobicContact CG2-CE1 3.84Å; T44-V99 HydrophobicContact CG2-CG2 3.97Å |
| 45 | E | 87.6 | Confident | 81.6 | Confident | 83 Ų | 83 | 48.9 Ų | 48.9 | 39% | 0.388 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -59.8 | -21.3 | 170.8 | -66.7 | -178.2 | -162.5 | 0 | 0 | 112.3 | M34 K49 | M34-E45 HydrophobicContact CE-CG 3.94Å; E45-K49 WeakPolarHBondContact O-CB 3.43Å; E45-K49 WeakPolarHBondContact O-CD 3.44Å; E45-K49 WeakPolarHBondContact O-CG 3.42Å; E45-K49 PolarHBondContact O-N 2.89Å; E45-K49 VanDerWaalsContact O-N 3.11Å; E45-K49 IonicContact OE2-NZ 3.69Å; E45-K49 PolarHBondContact OE2-NZ 2.8Å |
| 46 | T | 90.1 | Very high | 82.7 | Confident | 19 Ų | 19 | 45.7 Ų | 45.7 | 12% | 0.117 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -68.3 | -44.1 | 179.1 | -41.4 | 0 | 0 | 0 | 0 | 110.4 | I23 A26 T44 Q48 K49 V50 I92 F98 | I23-T46 HydrophobicContact CG1-CG2 4.41Å; A26-T46 HydrophobicContact CB-CG2 3.67Å; T44-T46 PolarHBondContact O-N 3.1Å; T44-T46 VanDerWaalsContact O-N 3.13Å; T44-T46 VanDerWaalsContact OG1-CB 3.25Å; T44-T46 WeakPolarHBondContact OG1-CB 3.35Å; T44-T46 PolarHBondContact OG1-N 3.36Å; T44-T46 VanDerWaalsContact OG1-N 3.12Å; T44-T46 PolarHBondContact OG1-OG1 3.39Å; T46-Q48 VanDerWaalsContact C-N 3.34Å; T46-Q48 PolarHBondContact O-N 3.45Å; T46-K49 PolarHBondContact O-N 2.87Å; T46-V50 HydrophobicContact CG2-CG2 4.17Å; T46-V50 WeakPolarHBondContact O-CB 3.29Å; T46-V50 VanDerWaalsContact O-CG2 3.25Å; T46-V50 WeakPolarHBondContact O-CG2 3.48Å; T46-V50 PolarHBondContact O-N 2.91Å; T46-I92 HydrophobicContact CG2-CD1 3.89Å; T46-F98 HydrophobicContact CG2-CZ 4.07Å |
| 47 | D | 90.8 | Very high | 84.2 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -55 | -50.5 | 178.2 | -52.1 | -116.7 | 0 | 0 | 0 | 110.2 | V43 T44 K49 V50 E51 E71 P91 I92 T95 | V43-D47 HydrophobicContact CG2-CB 3.94Å; T44-D47 VanDerWaalsContact CA-OD2 3.31Å; T44-D47 WeakPolarHBondContact CA-OD2 3.48Å; T44-D47 VanDerWaalsContact CB-OD2 3.27Å; T44-D47 WeakPolarHBondContact CB-OD2 3.27Å; T44-D47 PolarHBondContact N-OD2 2.8Å; T44-D47 PolarHBondContact O-N 2.86Å; T44-D47 PolarHBondContact OG1-OD2 2.77Å; D47-K49 PolarHBondContact O-N 3.02Å; D47-V50 PolarHBondContact O-N 2.76Å; D47-E51 PolarHBondContact O-N 3.09Å; D47-E71 HydrophobicContact CB-CG 4.15Å; D47-P91 HydrophobicContact CB-CG 4.27Å; D47-P91 WeakPolarHBondContact O-CB 3.45Å; D47-I92 HydrophobicContact CB-CD1 4.38Å; D47-I92 WeakPolarHBondContact OD1-CB 3.42Å; D47-T95 WeakPolarHBondContact OD1-CG2 3.39Å; D47-T95 PolarHBondContact OD1-OG1 3.01Å |
| 48 | Q | 92 | Very high | 85.8 | Confident | 94 Ų | 94 | 40.2 Ų | 40.2 | 44% | 0.439 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -63.5 | -43.9 | 179.5 | -65 | 177.5 | -10.8 | 0 | 0 | 112.9 | T46 Q52 E71 | T46-Q48 VanDerWaalsContact C-N 3.34Å; T46-Q48 PolarHBondContact O-N 3.45Å; Q48-Q52 VanDerWaalsContact O-CB 3.3Å; Q48-Q52 WeakPolarHBondContact O-CB 3.36Å; Q48-Q52 PolarHBondContact O-N 3.46Å; Q48-E71 HydrophobicContact CG-CG 4.48Å |
| 49 | K | 94.4 | Very high | 88 | Confident | 102 Ų | 102 | 45.3 Ų | 45.3 | 44% | 0.443 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -66.7 | -40.3 | 179.8 | -73.8 | 168.7 | -169.4 | 161.2 | 0 | 111.6 | M22 E45 T46 D47 L53 | M22-K49 HydrophobicContact SD-CB 3.88Å; E45-K49 WeakPolarHBondContact O-CB 3.43Å; E45-K49 WeakPolarHBondContact O-CD 3.44Å; E45-K49 WeakPolarHBondContact O-CG 3.42Å; E45-K49 PolarHBondContact O-N 2.89Å; E45-K49 VanDerWaalsContact O-N 3.11Å; E45-K49 IonicContact OE2-NZ 3.69Å; E45-K49 PolarHBondContact OE2-NZ 2.8Å; T46-K49 PolarHBondContact O-N 2.87Å; D47-K49 PolarHBondContact O-N 3.02Å; K49-L53 WeakPolarHBondContact O-CB 3.21Å; K49-L53 PolarHBondContact O-N 3.04Å |
| 50 | V | 95.9 | Very high | 90.2 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -65.4 | -48.3 | 177.1 | 167.1 | 0 | 0 | 0 | 0 | 110.4 | A19 M22 I23 T46 D47 Q52 L53 I54 P91 M107 | A19-V50 HydrophobicContact CB-CG1 4.08Å; M22-V50 HydrophobicContact CG-CG2 4.39Å; M22-V50 HydrophobicContact SD-CG2 3.77Å; I23-V50 HydrophobicContact CD1-CG1 4.4Å; I23-V50 HydrophobicContact CD1-CG2 4.2Å; I23-V50 HydrophobicContact CG1-CG2 3.75Å; T46-V50 HydrophobicContact CG2-CG2 4.17Å; T46-V50 WeakPolarHBondContact O-CB 3.29Å; T46-V50 VanDerWaalsContact O-CG2 3.25Å; T46-V50 WeakPolarHBondContact O-CG2 3.48Å; T46-V50 PolarHBondContact O-N 2.91Å; D47-V50 PolarHBondContact O-N 2.76Å; V50-Q52 VanDerWaalsContact C-N 3.32Å; V50-Q52 PolarHBondContact O-N 2.81Å; V50-L53 PolarHBondContact O-N 3.49Å; V50-I54 HydrophobicContact CG1-CD1 3.68Å; V50-I54 HydrophobicContact CG1-CG1 4.48Å; V50-I54 WeakPolarHBondContact O-CG1 3.5Å; V50-I54 PolarHBondContact O-N 2.96Å; V50-P91 HydrophobicContact CB-CB 4Å; V50-P91 HydrophobicContact CG1-CB 3.67Å; V50-M107 HydrophobicContact CG1-CG 4.41Å; V50-M107 HydrophobicContact CG1-SD 3.83Å |
| 51 | E | 97.6 | Very high | 92.1 | Very high | 7 Ų | 7 | 49.5 Ų | 49.5 | 3% | 0.033 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -60.8 | -44.4 | 178.5 | -166.4 | 177 | 107.1 | 0 | 0 | 111.3 | D47 L53 I54 I55 G69 E70 E71 S72 I89 P91 | D47-E51 PolarHBondContact O-N 3.09Å; E51-L53 PolarHBondContact O-N 3.23Å; E51-I54 PolarHBondContact O-N 2.86Å; E51-I55 HydrophobicContact CG-CD1 3.69Å; E51-I55 HydrophobicContact CG-CG1 4.2Å; E51-I55 WeakPolarHBondContact O-CB 3.47Å; E51-I55 WeakPolarHBondContact O-CG1 3.4Å; E51-I55 PolarHBondContact O-N 2.77Å; E51-G69 WeakPolarHBondContact OE2-CA 3.4Å; E51-E70 PolarHBondContact OE2-N 2.87Å; E51-E70 VanDerWaalsContact OE2-N 3.14Å; E51-E71 WeakPolarHBondContact OE2-CB 3.35Å; E51-E71 PolarHBondContact OE2-N 3.04Å; E51-S72 WeakPolarHBondContact OE1-CA 3.17Å; E51-S72 VanDerWaalsContact OE1-CB 3.23Å; E51-S72 WeakPolarHBondContact OE1-CB 3.32Å; E51-S72 PolarHBondContact OE1-N 2.85Å; E51-S72 PolarHBondContact OE1-OG 3.5Å; E51-I89 HydrophobicContact CG-CG2 4.45Å; E51-P91 HydrophobicContact CB-CB 3.88Å; E51-P91 HydrophobicContact CB-CG 4.01Å |
| 52 | Q | 97.4 | Very high | 93.6 | Very high | 140 Ų | 140 | 48.7 Ų | 48.7 | 65% | 0.654 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -60.4 | -43.5 | 177.9 | -173.3 | -179.9 | 16.5 | 0 | 0 | 112.1 | Q48 V50 S56 | Q48-Q52 VanDerWaalsContact O-CB 3.3Å; Q48-Q52 WeakPolarHBondContact O-CB 3.36Å; Q48-Q52 PolarHBondContact O-N 3.46Å; V50-Q52 VanDerWaalsContact C-N 3.32Å; V50-Q52 PolarHBondContact O-N 2.81Å; Q52-S56 WeakPolarHBondContact O-CB 3.24Å; Q52-S56 PolarHBondContact O-N 3.04Å; Q52-S56 PolarHBondContact O-OG 3.42Å |
| 53 | L | 97.8 | Very high | 94.7 | Very high | 35 Ų | 35 | 52.1 Ų | 52.1 | 18% | 0.183 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -59.2 | -49 | 175.8 | 174 | 66.3 | 0 | 0 | 0 | 111 | E18 A19 M22 K49 V50 E51 S56 S57 | E18-L53 HydrophobicContact CG-CD2 4.18Å; A19-L53 HydrophobicContact CB-CD2 4.1Å; M22-L53 HydrophobicContact CE-CD2 3.83Å; K49-L53 WeakPolarHBondContact O-CB 3.21Å; K49-L53 PolarHBondContact O-N 3.04Å; V50-L53 PolarHBondContact O-N 3.49Å; E51-L53 PolarHBondContact O-N 3.23Å; L53-S56 PolarHBondContact O-OG 3.33Å; L53-S56 VanDerWaalsContact O-OG 3.12Å; L53-S57 VanDerWaalsContact O-CB 3.32Å; L53-S57 WeakPolarHBondContact O-CB 3.46Å; L53-S57 PolarHBondContact O-N 3.06Å; L53-S57 VanDerWaalsContact O-N 3.08Å |
| 54 | I | 97.9 | Very high | 95.5 | Very high | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -62.9 | -52.9 | -177.9 | -65.7 | 165 | 0 | 0 | 0 | 110.4 | V15 A19 V50 E51 S56 I58 I89 M107 I109 | V15-I54 HydrophobicContact CG1-CB 4.31Å; V15-I54 HydrophobicContact CG1-CG1 4.03Å; V15-I54 HydrophobicContact CG1-CG2 4.5Å; A19-I54 HydrophobicContact CB-CD1 4.3Å; A19-I54 HydrophobicContact CB-CG1 4.2Å; V50-I54 HydrophobicContact CG1-CD1 3.68Å; V50-I54 HydrophobicContact CG1-CG1 4.48Å; V50-I54 WeakPolarHBondContact O-CG1 3.5Å; V50-I54 PolarHBondContact O-N 2.96Å; E51-I54 PolarHBondContact O-N 2.86Å; I54-S56 PolarHBondContact O-N 2.67Å; I54-I58 HydrophobicContact CG2-CD1 3.63Å; I54-I58 WeakPolarHBondContact O-CB 3.44Å; I54-I58 VanDerWaalsContact O-CG1 3.26Å; I54-I58 WeakPolarHBondContact O-CG1 3.46Å; I54-I58 PolarHBondContact O-N 2.92Å; I54-I89 HydrophobicContact CD1-CG2 4.18Å; I54-I89 HydrophobicContact CG2-CD1 3.74Å; I54-I89 HydrophobicContact CG2-CG1 4.23Å; I54-I89 HydrophobicContact CG2-CG2 4.33Å; I54-M107 HydrophobicContact CD1-SD 4.17Å; I54-I109 HydrophobicContact CD1-CD1 4.16Å; I54-I109 HydrophobicContact CG2-CD1 4.03Å |
| 55 | I | 98.3 | Very high | 96.3 | Very high | 28 Ų | 28 | 58 Ų | 58 | 14% | 0.144 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -62.4 | -46.2 | -177.6 | -68.1 | 179.8 | 0 | 0 | 0 | 110.7 | E51 I58 K59 F67 I89 | E51-I55 HydrophobicContact CG-CD1 3.69Å; E51-I55 HydrophobicContact CG-CG1 4.2Å; E51-I55 WeakPolarHBondContact O-CB 3.47Å; E51-I55 WeakPolarHBondContact O-CG1 3.4Å; E51-I55 PolarHBondContact O-N 2.77Å; I55-I58 PolarHBondContact O-N 3.23Å; I55-K59 WeakPolarHBondContact O-CB 3.16Å; I55-K59 PolarHBondContact O-N 3.45Å; I55-F67 HydrophobicContact CB-CD1 4.33Å; I55-F67 HydrophobicContact CB-CE1 4.41Å; I55-F67 HydrophobicContact CG1-CD1 3.91Å; I55-F67 HydrophobicContact CG1-CE1 4.4Å; I55-F67 HydrophobicContact CG1-CG 4.49Å; I55-F67 HydrophobicContact CG2-CD1 4.04Å; I55-F67 HydrophobicContact CG2-CD2 4.44Å; I55-F67 HydrophobicContact CG2-CE1 4.12Å; I55-F67 HydrophobicContact CG2-CG 4.2Å; I55-F67 HydrophobicContact CG2-CZ 4.37Å; I55-I89 HydrophobicContact CD1-CD1 4.47Å; I55-I89 HydrophobicContact CG1-CD1 3.71Å |
| 56 | S | 98.1 | Very high | 96.8 | Very high | 62 Ų | 62 | 56 Ų | 56 | 43% | 0.434 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -63.2 | -46.8 | -177.9 | 58.2 | 0 | 0 | 0 | 0 | 112.3 | Q52 L53 I54 I58 K59 E60 | Q52-S56 WeakPolarHBondContact O-CB 3.24Å; Q52-S56 PolarHBondContact O-N 3.04Å; Q52-S56 PolarHBondContact O-OG 3.42Å; L53-S56 PolarHBondContact O-OG 3.33Å; L53-S56 VanDerWaalsContact O-OG 3.12Å; I54-S56 PolarHBondContact O-N 2.67Å; S56-I58 PolarHBondContact O-N 3.47Å; S56-K59 PolarHBondContact O-N 2.92Å; S56-E60 WeakPolarHBondContact O-CB 3.38Å; S56-E60 PolarHBondContact O-N 2.93Å |
| 57 | S | 98.4 | Very high | 97.2 | Very high | 25 Ų | 25 | 57.3 Ų | 57.3 | 18% | 0.175 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -62.4 | -43.4 | 178.4 | 178.5 | 0 | 0 | 0 | 0 | 112.4 | H11 V15 L53 K61 | H11-S57 PolarHBondContact NE2-O 3.33Å; H11-S57 PolarHBondContact NE2-OG 3.21Å; V15-S57 WeakPolarHBondContact CG2-OG 3.45Å; L53-S57 VanDerWaalsContact O-CB 3.32Å; L53-S57 WeakPolarHBondContact O-CB 3.46Å; L53-S57 PolarHBondContact O-N 3.06Å; L53-S57 VanDerWaalsContact O-N 3.08Å; S57-K61 PolarHBondContact O-N 2.85Å |
| 58 | I | 98.1 | Very high | 97.6 | Very high | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -68.2 | -42 | 177.8 | -69 | 173.9 | 0 | 0 | 0 | 110.9 | I54 I55 S56 E60 K61 F62 F67 W87 | I54-I58 HydrophobicContact CG2-CD1 3.63Å; I54-I58 WeakPolarHBondContact O-CB 3.44Å; I54-I58 VanDerWaalsContact O-CG1 3.26Å; I54-I58 WeakPolarHBondContact O-CG1 3.46Å; I54-I58 PolarHBondContact O-N 2.92Å; I55-I58 PolarHBondContact O-N 3.23Å; S56-I58 PolarHBondContact O-N 3.47Å; I58-E60 VanDerWaalsContact C-N 3.33Å; I58-E60 PolarHBondContact O-N 3.42Å; I58-K61 PolarHBondContact O-N 3.29Å; I58-F62 HydrophobicContact CG2-CD2 4.15Å; I58-F62 PolarHBondContact O-N 3.19Å; I58-F67 HydrophobicContact CB-CE1 3.93Å; I58-F67 HydrophobicContact CB-CZ 4.19Å; I58-F67 HydrophobicContact CG2-CE1 3.6Å; I58-F67 HydrophobicContact CG2-CZ 3.71Å; I58-W87 HydrophobicContact CD1-CD2 3.97Å; I58-W87 HydrophobicContact CD1-CE3 3.78Å; I58-W87 HydrophobicContact CD1-CG 4.42Å; I58-W87 HydrophobicContact CD1-CZ3 4.07Å; I58-W87 HydrophobicContact CG2-CD2 3.65Å; I58-W87 HydrophobicContact CG2-CE3 4.36Å; I58-W87 HydrophobicContact CG2-CG 3.92Å; I58-W87 HydrophobicContact CG2-CH2 4.22Å; I58-W87 HydrophobicContact CG2-CZ2 3.54Å |
| 59 | K | 98.1 | Very high | 97.8 | Very high | 120 Ų | 120 | 53 Ų | 53 | 52% | 0.522 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -67.5 | -33 | -178.6 | -172.8 | 173.7 | -177.1 | 176.2 | 0 | 112.5 | I55 S56 K61 F62 P63 F67 | I55-K59 WeakPolarHBondContact O-CB 3.16Å; I55-K59 PolarHBondContact O-N 3.45Å; S56-K59 PolarHBondContact O-N 2.92Å; K59-K61 VanDerWaalsContact C-N 3.34Å; K59-F62 CarbonylContact O-C 3.48Å; K59-P63 WeakPolarHBondContact O-CA 3.4Å; K59-F67 HydrophobicContact CB-CE2 4.05Å; K59-F67 HydrophobicContact CB-CZ 3.83Å; K59-F67 HydrophobicContact CD-CE2 4.44Å; K59-F67 HydrophobicContact CG-CE2 4.26Å |
| 60 | E | 98.2 | Very high | 97.9 | Very high | 170 Ų | 170 | 49.5 Ų | 49.5 | 79% | 0.794 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -61.4 | -44.2 | 173.3 | -176.2 | 175.8 | 179.1 | 0 | 0 | 111.3 | S56 I58 | S56-E60 WeakPolarHBondContact O-CB 3.38Å; S56-E60 PolarHBondContact O-N 2.93Å; I58-E60 VanDerWaalsContact C-N 3.33Å; I58-E60 PolarHBondContact O-N 3.42Å |
| 61 | K | 98.2 | Very high | 97.9 | Very high | 82 Ų | 82 | 50.3 Ų | 50.3 | 36% | 0.357 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -80.4 | -35.1 | -179.5 | -167.9 | 169.7 | -176.7 | 176.9 | 0 | 113.6 | E7 H11 S57 I58 K59 P63 | E7-K61 WeakPolarHBondContact OE1-CE 3.06Å; E7-K61 IonicContact OE1-NZ 3.45Å; E7-K61 PolarHBondContact OE1-NZ 2.93Å; E7-K61 VanDerWaalsContact OE1-NZ 3.14Å; H11-K61 HydrophobicContact CB-CD 4.09Å; H11-K61 WeakPolarHBondContact ND1-CD 3.46Å; S57-K61 PolarHBondContact O-N 2.85Å; I58-K61 PolarHBondContact O-N 3.29Å; K59-K61 VanDerWaalsContact C-N 3.34Å; K61-P63 WeakPolarHBondContact O-CD 3.22Å |
| 62 | F | 98.1 | Very high | 97.8 | Very high | 25 Ų | 25 | 51.8 Ų | 51.8 | 11% | 0.11 | 27% | 0.273 | C | S | . | . | trans | -127.8 | 68.8 | -175.1 | -52.2 | -70.7 | 0 | 0 | 0 | 111.1 | E7 C8 H11 I58 K59 T64 H65 W87 | E7-F62 HydrophobicContact CG-CZ 4.48Å; C8-F62 HydrophobicContact CB-CZ 4.33Å; H11-F62 HydrophobicContact CB-CE2 4.18Å; I58-F62 HydrophobicContact CG2-CD2 4.15Å; I58-F62 PolarHBondContact O-N 3.19Å; K59-F62 CarbonylContact O-C 3.48Å; F62-T64 PolarHBondContact O-N 3.39Å; F62-T64 VanDerWaalsContact O-N 3.08Å; F62-H65 HydrophobicContact CB-CB 4.23Å; F62-H65 WeakPolarHBondContact CB-ND1 3.41Å; F62-H65 AromaticContact CD1-CE1 3.9Å; F62-H65 AromaticContact CG-CE1 3.82Å; F62-H65 AromaticContact CG-ND1 3.93Å; F62-H65 PolarHBondContact O-N 3.31Å; F62-H65 VanDerWaalsContact O-N 3.1Å; F62-W87 HydrophobicContact CD2-CH2 4.37Å; F62-W87 AromaticContact CD2-CZ2 3.69Å; F62-W87 HydrophobicContact CD2-CZ2 3.69Å; F62-W87 HydrophobicContact CE2-CH2 4.28Å; F62-W87 HydrophobicContact CE2-CZ2 4.02Å; F62-W87 HydrophobicContact CG-CZ2 4.36Å | ||
| 63 | P | 98 | Very high | 97.7 | Very high | 94 Ų | 94 | 46.8 Ų | 46.8 | 61% | 0.61 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.8 | -15.8 | -169 | 26.2 | -36.4 | 0 | 0 | 0 | 114.7 | K59 K61 | K59-P63 WeakPolarHBondContact O-CA 3.4Å; K61-P63 WeakPolarHBondContact O-CD 3.22Å |
| 64 | T | 98.2 | Very high | 97.3 | Very high | 107 Ų | 107 | 48.3 Ų | 48.3 | 66% | 0.656 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.7 | -5.4 | 179.3 | 61.6 | 0 | 0 | 0 | 0 | 113.4 | F62 N84 | F62-T64 PolarHBondContact O-N 3.39Å; F62-T64 VanDerWaalsContact O-N 3.08Å; T64-N84 PolarHBondContact O-ND2 3.18Å |
| 65 | H | 98.5 | Very high | 97 | Very high | 25 Ų | 25 | 52.6 Ų | 52.6 | 12% | 0.116 | 31% | 0.306 | C | S | . | . | trans | -79.4 | 155.2 | -179.7 | -67.7 | -165.9 | 0 | 0 | 0 | 111.2 | F62 F67 P85 W87 F111 | F62-H65 HydrophobicContact CB-CB 4.23Å; F62-H65 WeakPolarHBondContact CB-ND1 3.41Å; F62-H65 AromaticContact CD1-CE1 3.9Å; F62-H65 AromaticContact CG-CE1 3.82Å; F62-H65 AromaticContact CG-ND1 3.93Å; F62-H65 PolarHBondContact O-N 3.31Å; F62-H65 VanDerWaalsContact O-N 3.1Å; H65-F67 WeakPolarHBondContact O-CE2 3.38Å; H65-P85 CarbonylContact C-O 3.48Å; H65-P85 WeakPolarHBondContact CA-O 3.28Å; H65-P85 WeakPolarHBondContact CB-O 3.43Å; H65-W87 VanDerWaalsContact CB-NE1 3.32Å; H65-W87 AromaticContact CG-NE1 3.55Å; H65-W87 AromaticContact ND1-CE2 3.55Å; H65-W87 AromaticContact ND1-CZ2 3.65Å; H65-W87 AromaticContact ND1-NE1 3.03Å; H65-W87 PolarHBondContact ND1-NE1 3.43Å; H65-F111 AromaticContact CE1-CE2 3.97Å; H65-F111 AromaticContact ND1-CE2 3.71Å | ||
| 66 | S | 98.6 | Very high | 96.8 | Very high | 41 Ų | 41 | 54.5 Ų | 54.5 | 29% | 0.287 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 163.8 | 177.5 | -64.6 | 0 | 0 | 0 | 0 | 111.4 | N84 P85 T86 W87 | S66-N84 PolarHBondContact OG-ND2 3.36Å; S66-P85 PolarHBondContact N-O 3.49Å; S66-T86 WeakPolarHBondContact O-CA 3.4Å; S66-W87 PolarHBondContact O-N 3.48Å |
| 67 | F | 98.6 | Very high | 96.6 | Very high | 46 Ų | 46 | 53.9 Ų | 53.9 | 20% | 0.202 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 141 | -177.4 | -61.2 | -92.2 | 0 | 0 | 0 | 110.5 | I55 I58 K59 H65 W87 I89 | I55-F67 HydrophobicContact CB-CD1 4.33Å; I55-F67 HydrophobicContact CB-CE1 4.41Å; I55-F67 HydrophobicContact CG1-CD1 3.91Å; I55-F67 HydrophobicContact CG1-CE1 4.4Å; I55-F67 HydrophobicContact CG1-CG 4.49Å; I55-F67 HydrophobicContact CG2-CD1 4.04Å; I55-F67 HydrophobicContact CG2-CD2 4.44Å; I55-F67 HydrophobicContact CG2-CE1 4.12Å; I55-F67 HydrophobicContact CG2-CG 4.2Å; I55-F67 HydrophobicContact CG2-CZ 4.37Å; I58-F67 HydrophobicContact CB-CE1 3.93Å; I58-F67 HydrophobicContact CB-CZ 4.19Å; I58-F67 HydrophobicContact CG2-CE1 3.6Å; I58-F67 HydrophobicContact CG2-CZ 3.71Å; K59-F67 HydrophobicContact CB-CE2 4.05Å; K59-F67 HydrophobicContact CB-CZ 3.83Å; K59-F67 HydrophobicContact CD-CE2 4.44Å; K59-F67 HydrophobicContact CG-CE2 4.26Å; H65-F67 WeakPolarHBondContact O-CE2 3.38Å; F67-W87 CarbonylContact C-O 3.57Å; F67-W87 WeakPolarHBondContact CA-O 3.49Å; F67-W87 HydrophobicContact CD1-CB 3.82Å; F67-W87 AromaticContact CD1-CD1 3.97Å; F67-W87 HydrophobicContact CD1-CG 4.18Å; F67-W87 HydrophobicContact CE1-CB 4.08Å; F67-W87 AromaticContact CE1-CD1 3.57Å; F67-W87 AromaticContact CE1-CG 3.96Å; F67-W87 HydrophobicContact CE1-CG 3.96Å; F67-W87 AromaticContact CZ-CD1 3.91Å; F67-I89 HydrophobicContact CD1-CD1 4.05Å |
| 68 | I | 98.6 | Very high | 96.4 | Very high | 3 Ų | 3 | 56.9 Ų | 56.9 | 2% | 0.015 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 102.7 | 165 | -59.7 | 172.1 | 0 | 0 | 0 | 105.5 | V73 L81 T86 W87 I88 I89 W219 | I68-V73 HydrophobicContact CG2-CG2 4.33Å; I68-L81 HydrophobicContact CD1-CB 4.16Å; I68-L81 HydrophobicContact CD1-CD1 4.17Å; I68-T86 HydrophobicContact CD1-CG2 4.01Å; I68-T86 HydrophobicContact CG1-CG2 3.94Å; I68-W87 PolarHBondContact N-O 3.3Å; I68-I88 HydrophobicContact CB-CG2 4.27Å; I68-I88 HydrophobicContact CD1-CG1 4.48Å; I68-I88 HydrophobicContact CG2-CG2 4.36Å; I68-I88 CarbonylContact O-C 3.53Å; I68-I88 VanDerWaalsContact O-CA 3.26Å; I68-I88 WeakPolarHBondContact O-CA 3.46Å; I68-I89 PolarHBondContact O-N 3Å; I68-W219 HydrophobicContact CG2-CE3 4Å; I68-W219 HydrophobicContact CG2-CZ3 4.25Å |
| 69 | G | 98 | Very high | 96.2 | Very high | 1 Ų | 1 | 57.8 Ų | 57.8 | 1% | 0.01 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 141.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | E51 E71 S72 V73 I89 | E51-G69 WeakPolarHBondContact OE2-CA 3.4Å; G69-E71 PolarHBondContact O-N 3.49Å; G69-S72 PolarHBondContact O-N 2.92Å; G69-V73 WeakPolarHBondContact O-CB 3.4Å; G69-V73 VanDerWaalsContact O-CG2 3.25Å; G69-V73 WeakPolarHBondContact O-CG2 3.38Å; G69-V73 PolarHBondContact O-N 2.86Å; G69-I89 WeakPolarHBondContact CA-O 3.43Å |
| 70 | E | 96.4 | Very high | 96 | Very high | 29 Ų | 29 | 55.9 Ų | 55.9 | 14% | 0.136 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -53.8 | -52 | 178.2 | -178.9 | -179.1 | -179.6 | 0 | 0 | 112.2 | K36 E51 V73 A74 I89 W219 | K36-E70 IonicContact NZ-OE1 2.65Å; K36-E70 PolarHBondContact NZ-OE1 2.85Å; E51-E70 PolarHBondContact OE2-N 2.87Å; E51-E70 VanDerWaalsContact OE2-N 3.14Å; E70-V73 PolarHBondContact O-N 3.39Å; E70-A74 PolarHBondContact O-N 2.79Å; E70-I89 PolarHBondContact N-O 3.42Å; E70-I89 VanDerWaalsContact N-O 3.17Å; E70-W219 HydrophobicContact CB-CD2 3.98Å; E70-W219 HydrophobicContact CB-CG 4.06Å; E70-W219 HydrophobicContact CB-CZ2 4.21Å; E70-W219 HydrophobicContact CG-CD2 4.46Å; E70-W219 HydrophobicContact CG-CZ2 3.87Å |
| 71 | E | 94.3 | Very high | 95.9 | Very high | 17 Ų | 17 | 48.7 Ų | 48.7 | 8% | 0.079 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -72.9 | -33.9 | -176.1 | -58.6 | -55.7 | 152.8 | 0 | 0 | 111.2 | K36 V43 D47 Q48 E51 G69 V73 A74 A75 P91 | K36-E71 WeakPolarHBondContact CE-OE1 3.46Å; K36-E71 WeakPolarHBondContact CE-OE2 3.24Å; K36-E71 VanDerWaalsContact NZ-CD 3.35Å; K36-E71 IonicContact NZ-OE1 2.8Å; K36-E71 PolarHBondContact NZ-OE1 2.94Å; K36-E71 IonicContact NZ-OE2 2.74Å; K36-E71 PolarHBondContact NZ-OE2 3.46Å; V43-E71 WeakPolarHBondContact CG2-OE1 3.48Å; V43-E71 WeakPolarHBondContact CG2-OE2 3.34Å; D47-E71 HydrophobicContact CB-CG 4.15Å; Q48-E71 HydrophobicContact CG-CG 4.48Å; E51-E71 WeakPolarHBondContact OE2-CB 3.35Å; E51-E71 PolarHBondContact OE2-N 3.04Å; G69-E71 PolarHBondContact O-N 3.49Å; E71-V73 VanDerWaalsContact C-N 3.35Å; E71-A74 PolarHBondContact O-N 2.9Å; E71-A75 WeakPolarHBondContact O-CB 3.46Å; E71-A75 PolarHBondContact O-N 2.96Å; E71-P91 HydrophobicContact CG-CG 4Å |
| 72 | S | 95.7 | Very high | 95.9 | Very high | 37 Ų | 37 | 47.8 Ų | 47.8 | 26% | 0.259 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -61 | -43.2 | 171.8 | -69.6 | 0 | 0 | 0 | 0 | 111.7 | E51 G69 A75 G76 A77 | E51-S72 WeakPolarHBondContact OE1-CA 3.17Å; E51-S72 VanDerWaalsContact OE1-CB 3.23Å; E51-S72 WeakPolarHBondContact OE1-CB 3.32Å; E51-S72 PolarHBondContact OE1-N 2.85Å; E51-S72 PolarHBondContact OE1-OG 3.5Å; G69-S72 PolarHBondContact O-N 2.92Å; S72-A75 CarbonylContact O-C 3.55Å; S72-A75 PolarHBondContact O-N 2.9Å; S72-G76 PolarHBondContact O-N 3.36Å; S72-A77 WeakPolarHBondContact O-CB 3.44Å; S72-A77 PolarHBondContact O-N 3.38Å |
| 73 | V | 95.3 | Very high | 95.9 | Very high | 35 Ų | 35 | 51.4 Ų | 51.4 | 21% | 0.212 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -67.5 | -41.7 | 176.8 | 170.5 | 0 | 0 | 0 | 0 | 110.5 | I68 G69 E70 E71 A75 G76 A77 W219 | I68-V73 HydrophobicContact CG2-CG2 4.33Å; G69-V73 WeakPolarHBondContact O-CB 3.4Å; G69-V73 VanDerWaalsContact O-CG2 3.25Å; G69-V73 WeakPolarHBondContact O-CG2 3.38Å; G69-V73 PolarHBondContact O-N 2.86Å; E70-V73 PolarHBondContact O-N 3.39Å; E71-V73 VanDerWaalsContact C-N 3.35Å; V73-A75 PolarHBondContact O-N 3.36Å; V73-G76 PolarHBondContact O-N 2.69Å; V73-A77 WeakPolarHBondContact CA-O 3.49Å; V73-W219 HydrophobicContact CB-CH2 4.19Å; V73-W219 HydrophobicContact CB-CZ3 4.2Å; V73-W219 HydrophobicContact CG1-CH2 4.02Å; V73-W219 HydrophobicContact CG1-CZ3 4.29Å; V73-W219 HydrophobicContact CG2-CH2 4.48Å; V73-W219 HydrophobicContact CG2-CZ3 3.99Å |
| 74 | A | 90.4 | Very high | 95.9 | Very high | 68 Ų | 68 | 49.8 Ų | 49.8 | 56% | 0.562 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -59.8 | -30.3 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | E70 E71 G76 | E70-A74 PolarHBondContact O-N 2.79Å; E71-A74 PolarHBondContact O-N 2.9Å; A74-G76 VanDerWaalsContact C-N 3.32Å |
| 75 | A | 91.8 | Very high | 96 | Very high | 90 Ų | 90 | 45.7 Ų | 45.7 | 74% | 0.744 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.1 | 3.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | E71 S72 V73 | E71-A75 WeakPolarHBondContact O-CB 3.46Å; E71-A75 PolarHBondContact O-N 2.96Å; S72-A75 CarbonylContact O-C 3.55Å; S72-A75 PolarHBondContact O-N 2.9Å; V73-A75 PolarHBondContact O-N 3.36Å |
| 76 | G | 93.5 | Very high | 96 | Very high | 67 Ų | 67 | 44.5 Ų | 44.5 | 69% | 0.691 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 101 | 10.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | S72 V73 A74 | S72-G76 PolarHBondContact O-N 3.36Å; V73-G76 PolarHBondContact O-N 2.69Å; A74-G76 VanDerWaalsContact C-N 3.32Å |
| 77 | A | 94.2 | Very high | 96 | Very high | 50 Ų | 50 | 42.6 Ų | 42.6 | 41% | 0.413 | 28% | 0.281 | S | S | . | . | trans | -71.1 | 151.3 | 168.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | S72 V73 | S72-A77 WeakPolarHBondContact O-CB 3.44Å; S72-A77 PolarHBondContact O-N 3.38Å; V73-A77 WeakPolarHBondContact CA-O 3.49Å | ||
| 78 | T | 93.1 | Very high | 96 | Very high | 87 Ų | 87 | 40.4 Ų | 40.4 | 53% | 0.534 | 27% | 0.272 | S | S | . | . | trans | -80.2 | 140.1 | 176.5 | 62.2 | 0 | 0 | 0 | 0 | 111.3 | N80 | T78-N80 VanDerWaalsContact C-N 3.29Å; T78-N80 PolarHBondContact O-N 3.24Å | ||
| 79 | S | 94.2 | Very high | 96 | Very high | 19 Ų | 19 | 40.2 Ų | 40.2 | 13% | 0.133 | 27% | 0.271 | C | S | . | . | trans | -89.6 | 27.2 | 172.3 | 36.1 | 0 | 0 | 0 | 0 | 113.7 | L81 M246 D274 | S79-L81 PolarHBondContact O-N 3.39Å; S79-M246 WeakPolarHBondContact O-CE 3.49Å; S79-D274 WeakPolarHBondContact CB-O 3.38Å; S79-D274 PolarHBondContact OG-O 2.93Å | ||
| 80 | N | 93.8 | Very high | 96 | Very high | 80 Ų | 80 | 40.3 Ų | 40.3 | 43% | 0.428 | 27% | 0.271 | S | S | . | . | trans | -77.1 | 114.9 | -176.3 | -76.1 | -35.3 | 0 | 0 | 0 | 112.6 | T78 T82 | T78-N80 VanDerWaalsContact C-N 3.29Å; T78-N80 PolarHBondContact O-N 3.24Å; N80-T82 PolarHBondContact O-N 2.93Å | ||
| 81 | L | 97.4 | Very high | 96.1 | Very high | 19 Ų | 19 | 38.9 Ų | 38.9 | 10% | 0.099 | 26% | 0.264 | C | S | . | . | trans | -83 | 114.2 | 175.5 | -172.7 | 62.7 | 0 | 0 | 0 | 111.5 | I68 S79 T86 I88 A112 K115 L245 M246 | I68-L81 HydrophobicContact CD1-CB 4.16Å; I68-L81 HydrophobicContact CD1-CD1 4.17Å; S79-L81 PolarHBondContact O-N 3.39Å; L81-T86 HydrophobicContact CD1-CG2 3.94Å; L81-I88 HydrophobicContact CD1-CD1 4.19Å; L81-A112 HydrophobicContact CD1-CB 4.14Å; L81-K115 HydrophobicContact CD2-CB 4.07Å; L81-K115 HydrophobicContact CD2-CG 4.45Å; L81-K115 HydrophobicContact CG-CB 4.32Å; L81-K115 HydrophobicContact CG-CG 4.19Å; L81-K115 VanDerWaalsContact O-CE 3.26Å; L81-K115 WeakPolarHBondContact O-CE 3.26Å; L81-L245 HydrophobicContact CD2-CD2 4.07Å; L81-M246 HydrophobicContact CB-CE 4.32Å; L81-M246 HydrophobicContact CB-SD 4.01Å; L81-M246 HydrophobicContact CD2-SD 4.26Å | ||
| 82 | T | 97.7 | Very high | 96.2 | Very high | 64 Ų | 64 | 38.1 Ų | 38.1 | 39% | 0.393 | 26% | 0.261 | S | S | . | . | trans | -104.1 | -176.2 | 179.5 | 74.8 | 0 | 0 | 0 | 0 | 111.7 | N80 N84 K115 | N80-T82 PolarHBondContact O-N 2.93Å; T82-N84 VanDerWaalsContact C-N 3.26Å; T82-N84 WeakPolarHBondContact OG1-CB 3.46Å; T82-N84 PolarHBondContact OG1-N 2.79Å; T82-K115 WeakPolarHBondContact O-CG 3.5Å | ||
| 83 | D | 98.3 | Very high | 96.2 | Very high | 101 Ų | 101 | 37 Ų | 37 | 54% | 0.54 | 25% | 0.252 | S | S | . | . | S | Bend | trans | -77.8 | -13.2 | 175.2 | -68.4 | -9.6 | 0 | 0 | 0 | 113.5 | K114 K115 | D83-K114 HydrophobicContact CB-CG 4.34Å; D83-K114 PolarHBondContact O-N 3.45Å; D83-K115 WeakPolarHBondContact OD1-CE 3.48Å |
| 84 | N | 98.4 | Very high | 96.1 | Very high | 60 Ų | 60 | 35.8 Ų | 35.8 | 32% | 0.321 | 25% | 0.247 | S | C | . | . | S | Bend | trans | -64.9 | 147.1 | 177.5 | -161.2 | 45.1 | 0 | 0 | 0 | 110.5 | T64 S66 T82 T86 | T64-N84 PolarHBondContact O-ND2 3.18Å; S66-N84 PolarHBondContact OG-ND2 3.36Å; T82-N84 VanDerWaalsContact C-N 3.26Å; T82-N84 WeakPolarHBondContact OG1-CB 3.46Å; T82-N84 PolarHBondContact OG1-N 2.79Å; N84-T86 PolarHBondContact O-N 3.35Å; N84-T86 PolarHBondContact O-OG1 2.93Å |
| 85 | P | 98.8 | Very high | 96.1 | Very high | 20 Ų | 20 | 33.2 Ų | 33.2 | 13% | 0.13 | 22% | 0.224 | C | C | . | . | trans | -52.3 | 118.2 | 170.2 | -28.1 | 37.9 | 0 | 0 | 0 | 111 | W5 H65 S66 F111 A112 V113 | W5-P85 HydrophobicContact CH2-CG 4.12Å; H65-P85 CarbonylContact C-O 3.48Å; H65-P85 WeakPolarHBondContact CA-O 3.28Å; H65-P85 WeakPolarHBondContact CB-O 3.43Å; S66-P85 PolarHBondContact N-O 3.49Å; P85-F111 HydrophobicContact CB-CE2 3.81Å; P85-F111 HydrophobicContact CB-CZ 3.7Å; P85-A112 CarbonylContact C-O 3.56Å; P85-A112 WeakPolarHBondContact CA-O 3.44Å; P85-V113 HydrophobicContact CB-CG2 4.21Å; P85-V113 HydrophobicContact CG-CG2 4.27Å | ||
| 86 | T | 98.9 | Very high | 96.1 | Very high | 1 Ų | 1 | 31 Ų | 31 | 1% | 0.006 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 128.7 | -170.8 | -56.8 | 0 | 0 | 0 | 0 | 110.2 | S66 I68 L81 N84 I88 F111 A112 | S66-T86 WeakPolarHBondContact O-CA 3.4Å; I68-T86 HydrophobicContact CD1-CG2 4.01Å; I68-T86 HydrophobicContact CG1-CG2 3.94Å; L81-T86 HydrophobicContact CD1-CG2 3.94Å; N84-T86 PolarHBondContact O-N 3.35Å; N84-T86 PolarHBondContact O-OG1 2.93Å; T86-I88 HydrophobicContact CG2-CG1 4.27Å; T86-F111 WeakPolarHBondContact O-CA 3.4Å; T86-A112 PolarHBondContact N-O 3.22Å; T86-A112 PolarHBondContact O-N 3.25Å |
| 87 | W | 98.8 | Very high | 96.1 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 123.2 | 172.3 | -52.3 | 89.8 | 0 | 0 | 0 | 109 | C8 C12 I58 F62 H65 S66 F67 I68 I89 I109 F111 F119 | C8-W87 HydrophobicContact CB-CH2 3.66Å; C8-W87 HydrophobicContact CB-CZ2 4.1Å; C8-W87 WeakPolarHBondContact O-CH2 3.46Å; C12-W87 HydrophobicContact CB-CH2 4.39Å; C12-W87 HydrophobicContact CB-CZ3 3.78Å; I58-W87 HydrophobicContact CD1-CD2 3.97Å; I58-W87 HydrophobicContact CD1-CE3 3.78Å; I58-W87 HydrophobicContact CD1-CG 4.42Å; I58-W87 HydrophobicContact CD1-CZ3 4.07Å; I58-W87 HydrophobicContact CG2-CD2 3.65Å; I58-W87 HydrophobicContact CG2-CE3 4.36Å; I58-W87 HydrophobicContact CG2-CG 3.92Å; I58-W87 HydrophobicContact CG2-CH2 4.22Å; I58-W87 HydrophobicContact CG2-CZ2 3.54Å; F62-W87 HydrophobicContact CD2-CH2 4.37Å; F62-W87 AromaticContact CD2-CZ2 3.69Å; F62-W87 HydrophobicContact CD2-CZ2 3.69Å; F62-W87 HydrophobicContact CE2-CH2 4.28Å; F62-W87 HydrophobicContact CE2-CZ2 4.02Å; F62-W87 HydrophobicContact CG-CZ2 4.36Å; H65-W87 VanDerWaalsContact CB-NE1 3.32Å; H65-W87 AromaticContact CG-NE1 3.55Å; H65-W87 AromaticContact ND1-CE2 3.55Å; H65-W87 AromaticContact ND1-CZ2 3.65Å; H65-W87 AromaticContact ND1-NE1 3.03Å; H65-W87 PolarHBondContact ND1-NE1 3.43Å; S66-W87 PolarHBondContact O-N 3.48Å; F67-W87 CarbonylContact C-O 3.57Å; F67-W87 WeakPolarHBondContact CA-O 3.49Å; F67-W87 HydrophobicContact CD1-CB 3.82Å; F67-W87 AromaticContact CD1-CD1 3.97Å; F67-W87 HydrophobicContact CD1-CG 4.18Å; F67-W87 HydrophobicContact CE1-CB 4.08Å; F67-W87 AromaticContact CE1-CD1 3.57Å; F67-W87 AromaticContact CE1-CG 3.96Å; F67-W87 HydrophobicContact CE1-CG 3.96Å; F67-W87 AromaticContact CZ-CD1 3.91Å; I68-W87 PolarHBondContact N-O 3.3Å; W87-I89 HydrophobicContact CB-CD1 4.11Å; W87-I89 HydrophobicContact CB-CG1 4.35Å; W87-I109 HydrophobicContact CE3-CG2 4.37Å; W87-F111 AromaticContact CD2-CD2 3.63Å; W87-F111 HydrophobicContact CD2-CD2 3.63Å; W87-F111 HydrophobicContact CD2-CE2 4.12Å; W87-F111 AromaticContact CE2-CD2 3.73Å; W87-F111 AromaticContact CE2-CE2 3.73Å; W87-F111 HydrophobicContact CE3-CB 4.34Å; W87-F111 AromaticContact CE3-CD2 3.77Å; W87-F111 HydrophobicContact CE3-CD2 3.77Å; W87-F111 HydrophobicContact CE3-CG 4.44Å; W87-F111 HydrophobicContact CG-CD2 4.23Å; W87-F111 HydrophobicContact CH2-CD2 4.18Å; W87-F111 HydrophobicContact CH2-CE2 4.38Å; W87-F111 HydrophobicContact CZ2-CD2 4.01Å; W87-F111 AromaticContact CZ2-CE2 3.88Å; W87-F111 HydrophobicContact CZ2-CE2 3.88Å; W87-F111 HydrophobicContact CZ3-CD2 4.05Å; W87-F119 HydrophobicContact CE3-CZ 4.44Å; W87-F119 HydrophobicContact CH2-CZ 4.02Å; W87-F119 HydrophobicContact CZ3-CE2 4.07Å; W87-F119 AromaticContact CZ3-CZ 3.61Å; W87-F119 HydrophobicContact CZ3-CZ 3.61Å |
| 88 | I | 98.9 | Very high | 96 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 114.7 | -179.1 | -47.5 | 176.8 | 0 | 0 | 0 | 106.9 | I68 L81 T86 I109 G110 A112 C218 W219 A222 L245 | I68-I88 HydrophobicContact CB-CG2 4.27Å; I68-I88 HydrophobicContact CD1-CG1 4.48Å; I68-I88 HydrophobicContact CG2-CG2 4.36Å; I68-I88 CarbonylContact O-C 3.53Å; I68-I88 VanDerWaalsContact O-CA 3.26Å; I68-I88 WeakPolarHBondContact O-CA 3.46Å; L81-I88 HydrophobicContact CD1-CD1 4.19Å; T86-I88 HydrophobicContact CG2-CG1 4.27Å; I88-I109 CarbonylContact O-C 3.48Å; I88-I109 WeakPolarHBondContact O-CA 3.06Å; I88-G110 PolarHBondContact N-O 3.49Å; I88-G110 PolarHBondContact O-N 3.29Å; I88-A112 HydrophobicContact CD1-CB 4.33Å; I88-C218 HydrophobicContact CG2-CB 4.39Å; I88-W219 HydrophobicContact CG2-CB 4.02Å; I88-A222 HydrophobicContact CB-CB 3.87Å; I88-A222 HydrophobicContact CD1-CB 3.96Å; I88-A222 HydrophobicContact CG1-CB 4.48Å; I88-A222 HydrophobicContact CG2-CB 3.97Å; I88-L245 HydrophobicContact CD1-CD2 3.61Å |
| 89 | I | 98.8 | Very high | 95.9 | Very high | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 126.5 | -161.7 | -60.3 | 157.7 | 0 | 0 | 0 | 109.9 | E51 I54 I55 F67 I68 G69 E70 W87 I109 W219 | E51-I89 HydrophobicContact CG-CG2 4.45Å; I54-I89 HydrophobicContact CD1-CG2 4.18Å; I54-I89 HydrophobicContact CG2-CD1 3.74Å; I54-I89 HydrophobicContact CG2-CG1 4.23Å; I54-I89 HydrophobicContact CG2-CG2 4.33Å; I55-I89 HydrophobicContact CD1-CD1 4.47Å; I55-I89 HydrophobicContact CG1-CD1 3.71Å; F67-I89 HydrophobicContact CD1-CD1 4.05Å; I68-I89 PolarHBondContact O-N 3Å; G69-I89 WeakPolarHBondContact CA-O 3.43Å; E70-I89 PolarHBondContact N-O 3.42Å; E70-I89 VanDerWaalsContact N-O 3.17Å; W87-I89 HydrophobicContact CB-CD1 4.11Å; W87-I89 HydrophobicContact CB-CG1 4.35Å; I89-I109 HydrophobicContact CG1-CG2 4.15Å; I89-W219 WeakPolarHBondContact O-CB 3.42Å |
| 90 | D | 98.4 | Very high | 95.8 | Very high | 2 Ų | 2 | 28.7 Ų | 28.7 | 1% | 0.011 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 112.1 | 159.5 | -173.1 | -31 | 0 | 0 | 0 | 107.6 | I92 D93 S108 W219 | D90-I92 PolarHBondContact OD1-N 3.16Å; D90-D93 PolarHBondContact OD1-N 3.46Å; D90-D93 WeakPolarHBondContact OD2-CA 3.5Å; D90-D93 VanDerWaalsContact OD2-CB 3.29Å; D90-D93 WeakPolarHBondContact OD2-CB 3.46Å; D90-S108 PolarHBondContact N-O 2.93Å; D90-S108 PolarHBondContact O-N 3.27Å; D90-W219 HydrophobicContact CB-CB 4.03Å; D90-W219 HydrophobicContact CB-CG 4.39Å |
| 91 | P | 96.9 | Very high | 95.6 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | -29.2 | -178.1 | 30.9 | -35.7 | 0 | 0 | 0 | 113.3 | D47 V50 E51 E71 M107 | D47-P91 HydrophobicContact CB-CG 4.27Å; D47-P91 WeakPolarHBondContact O-CB 3.45Å; V50-P91 HydrophobicContact CB-CB 4Å; V50-P91 HydrophobicContact CG1-CB 3.67Å; E51-P91 HydrophobicContact CB-CB 3.88Å; E51-P91 HydrophobicContact CB-CG 4.01Å; E71-P91 HydrophobicContact CG-CG 4Å; P91-M107 WeakPolarHBondContact O-CG 3.41Å |
| 92 | I | 96.6 | Very high | 95.5 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.4 | 87.1 | 177.6 | -55.4 | -173.7 | 0 | 0 | 0 | 108.9 | I23 T46 D47 D90 G94 T95 F98 V105 S106 | I23-I92 HydrophobicContact CD1-CD1 4.47Å; I23-I92 HydrophobicContact CD1-CG1 4.01Å; I23-I92 HydrophobicContact CG1-CD1 4.26Å; I23-I92 HydrophobicContact CG1-CG1 4.33Å; T46-I92 HydrophobicContact CG2-CD1 3.89Å; D47-I92 HydrophobicContact CB-CD1 4.38Å; D47-I92 WeakPolarHBondContact OD1-CB 3.42Å; D90-I92 PolarHBondContact OD1-N 3.16Å; I92-G94 PolarHBondContact O-N 3.38Å; I92-T95 PolarHBondContact O-N 3.3Å; I92-T95 PolarHBondContact O-OG1 2.88Å; I92-T95 VanDerWaalsContact O-OG1 3.13Å; I92-F98 HydrophobicContact CD1-CD2 4.46Å; I92-F98 HydrophobicContact CD1-CE2 4.41Å; I92-F98 HydrophobicContact CD1-CZ 4.45Å; I92-F98 HydrophobicContact CG2-CB 4.02Å; I92-F98 HydrophobicContact CG2-CG 4.27Å; I92-V105 HydrophobicContact CG2-CG1 3.55Å; I92-S106 CarbonylContact C-O 3.53Å; I92-S106 WeakPolarHBondContact CA-O 3.49Å |
| 93 | D | 96.2 | Very high | 95.2 | Very high | 13 Ų | 13 | 33.9 Ų | 33.9 | 7% | 0.07 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 124.4 | 169.4 | 177.5 | 26.9 | 0 | 0 | 0 | 108.9 | D90 S106 S195 A196 A197 | D90-D93 PolarHBondContact OD1-N 3.46Å; D90-D93 WeakPolarHBondContact OD2-CA 3.5Å; D90-D93 VanDerWaalsContact OD2-CB 3.29Å; D90-D93 WeakPolarHBondContact OD2-CB 3.46Å; D93-S106 PolarHBondContact N-O 3.32Å; D93-S106 PolarHBondContact O-N 2.74Å; D93-S106 VanDerWaalsContact O-N 3.08Å; D93-S195 VanDerWaalsContact CG-OG 3.31Å; D93-S195 VanDerWaalsContact OD2-C 3.29Å; D93-S195 WeakPolarHBondContact OD2-CA 3.2Å; D93-S195 WeakPolarHBondContact OD2-CB 3.1Å; D93-S195 PolarHBondContact OD2-OG 3.25Å; D93-A196 PolarHBondContact OD1-N 2.67Å; D93-A196 PolarHBondContact OD2-N 3.06Å; D93-A197 HydrophobicContact CB-CB 4.42Å; D93-A197 WeakPolarHBondContact OD2-CB 3.42Å; D93-A197 PolarHBondContact OD2-N 3.12Å |
| 94 | G | 93.1 | Very high | 95 | Very high | 10 Ų | 10 | 31.3 Ų | 31.3 | 10% | 0.103 | 16% | 0.156 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 87.8 | 43.9 | -170.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | I92 T96 N97 F98 G194 | I92-G94 PolarHBondContact O-N 3.38Å; G94-T96 PolarHBondContact O-N 2.8Å; G94-N97 CarbonylContact O-C 3.54Å; G94-N97 WeakPolarHBondContact O-CA 3.3Å; G94-N97 VanDerWaalsContact O-CB 3.24Å; G94-N97 WeakPolarHBondContact O-CB 3.19Å; G94-N97 PolarHBondContact O-N 2.98Å; G94-F98 PolarHBondContact O-N 2.73Å; G94-G194 WeakPolarHBondContact CA-O 3.47Å |
| 95 | T | 90.1 | Very high | 94.9 | Very high | 15 Ų | 15 | 28.4 Ų | 28.4 | 9% | 0.092 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -53.4 | -37 | 175.6 | -40.3 | 0 | 0 | 0 | 0 | 112.9 | L42 T44 D47 I92 N97 F98 V99 | L42-T95 HydrophobicContact CB-CG2 4.33Å; L42-T95 WeakPolarHBondContact O-CG2 3.32Å; T44-T95 HydrophobicContact CG2-CG2 4.26Å; D47-T95 WeakPolarHBondContact OD1-CG2 3.39Å; D47-T95 PolarHBondContact OD1-OG1 3.01Å; I92-T95 PolarHBondContact O-N 3.3Å; I92-T95 PolarHBondContact O-OG1 2.88Å; I92-T95 VanDerWaalsContact O-OG1 3.13Å; T95-N97 VanDerWaalsContact C-N 3.34Å; T95-N97 PolarHBondContact O-N 3.06Å; T95-F98 WeakPolarHBondContact O-CB 3.44Å; T95-F98 PolarHBondContact O-N 3.34Å; T95-V99 WeakPolarHBondContact O-CG2 3.48Å; T95-V99 PolarHBondContact O-N 3.2Å |
| 96 | T | 91.6 | Very high | 94.8 | Very high | 42 Ų | 42 | 27.5 Ų | 27.5 | 26% | 0.258 | 14% | 0.135 | S | C | . | . | H | α-helix | trans | -60 | -44.1 | 172 | -53.4 | 0 | 0 | 0 | 0 | 111.5 | G94 F98 V99 H100 F165 | G94-T96 PolarHBondContact O-N 2.8Å; T96-F98 VanDerWaalsContact C-N 3.32Å; T96-F98 PolarHBondContact O-N 3.04Å; T96-V99 PolarHBondContact O-N 2.78Å; T96-H100 PolarHBondContact O-CD2 3.42Å; T96-H100 VanDerWaalsContact O-CD2 3.26Å; T96-H100 PolarHBondContact O-N 3.48Å; T96-F165 HydrophobicContact CG2-CZ 4.47Å |
| 97 | N | 94.3 | Very high | 94.7 | Very high | 18 Ų | 18 | 27.4 Ų | 27.4 | 10% | 0.096 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -62.3 | -41.7 | 175.1 | -73.6 | -10.8 | 0 | 0 | 0 | 111.3 | G94 T95 H100 R101 F102 F104 V105 P193 G194 | G94-N97 CarbonylContact O-C 3.54Å; G94-N97 WeakPolarHBondContact O-CA 3.3Å; G94-N97 VanDerWaalsContact O-CB 3.24Å; G94-N97 WeakPolarHBondContact O-CB 3.19Å; G94-N97 PolarHBondContact O-N 2.98Å; T95-N97 VanDerWaalsContact C-N 3.34Å; T95-N97 PolarHBondContact O-N 3.06Å; N97-H100 CarbonylContact O-C 3.48Å; N97-H100 PolarHBondContact O-N 3.12Å; N97-R101 CarbonylContact O-C 3.57Å; N97-R101 WeakPolarHBondContact O-CA 3.09Å; N97-R101 PolarHBondContact O-N 3Å; N97-F102 HydrophobicContact CB-CB 3.86Å; N97-F102 HydrophobicContact CB-CD1 4.4Å; N97-F102 PolarHBondContact O-N 3.4Å; N97-F102 WeakPolarHBondContact OD1-CD1 3.32Å; N97-F104 VanDerWaalsContact CB-O 3.22Å; N97-F104 WeakPolarHBondContact CB-O 3.28Å; N97-F104 PolarHBondContact ND2-O 2.75Å; N97-V105 HydrophobicContact CB-CG2 4.02Å; N97-P193 PolarHBondContact ND2-O 3.26Å; N97-G194 PolarHBondContact ND2-O 3.21Å |
| 98 | F | 92.7 | Very high | 94.7 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -59.1 | -49.2 | 176.6 | 177.1 | -100.1 | 0 | 0 | 0 | 111.8 | I23 A26 L27 I31 T44 T46 I92 G94 T95 T96 H100 R101 V105 | I23-F98 HydrophobicContact CG2-CD2 4.21Å; I23-F98 HydrophobicContact CG2-CE2 3.96Å; A26-F98 HydrophobicContact CB-CE2 4.22Å; A26-F98 HydrophobicContact CB-CZ 3.76Å; L27-F98 HydrophobicContact CD1-CD2 4.48Å; L27-F98 HydrophobicContact CD2-CD2 3.42Å; L27-F98 VanDerWaalsContact CD2-CD2 3.42Å; L27-F98 HydrophobicContact CD2-CE2 3.65Å; L27-F98 HydrophobicContact CD2-CG 4.24Å; L27-F98 HydrophobicContact CG-CD2 3.81Å; L27-F98 HydrophobicContact CG-CE2 3.62Å; I31-F98 HydrophobicContact CD1-CD1 4.14Å; I31-F98 HydrophobicContact CD1-CE1 3.84Å; I31-F98 HydrophobicContact CD1-CZ 4.13Å; I31-F98 WeakPolarHBondContact CD1-O 3.26Å; I31-F98 HydrophobicContact CG1-CE1 4.2Å; I31-F98 HydrophobicContact CG1-CZ 4.44Å; I31-F98 HydrophobicContact CG2-CD1 4.31Å; I31-F98 HydrophobicContact CG2-CE1 3.75Å; T44-F98 HydrophobicContact CG2-CD1 3.87Å; T44-F98 HydrophobicContact CG2-CE1 3.84Å; T46-F98 HydrophobicContact CG2-CZ 4.07Å; I92-F98 HydrophobicContact CD1-CD2 4.46Å; I92-F98 HydrophobicContact CD1-CE2 4.41Å; I92-F98 HydrophobicContact CD1-CZ 4.45Å; I92-F98 HydrophobicContact CG2-CB 4.02Å; I92-F98 HydrophobicContact CG2-CG 4.27Å; G94-F98 PolarHBondContact O-N 2.73Å; T95-F98 WeakPolarHBondContact O-CB 3.44Å; T95-F98 PolarHBondContact O-N 3.34Å; T96-F98 VanDerWaalsContact C-N 3.32Å; T96-F98 PolarHBondContact O-N 3.04Å; F98-H100 VanDerWaalsContact C-N 3.29Å; F98-H100 PolarHBondContact O-N 3.24Å; F98-R101 PolarHBondContact O-N 3.4Å; F98-R101 VanDerWaalsContact O-N 3.11Å; F98-V105 HydrophobicContact CB-CG1 4.07Å; F98-V105 HydrophobicContact CB-CG2 3.9Å; F98-V105 HydrophobicContact CD2-CG1 4.1Å |
| 99 | V | 90.2 | Very high | 94.7 | Very high | 17 Ų | 17 | 27.5 Ų | 27.5 | 10% | 0.103 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -58.7 | -40.8 | 177.2 | 167.7 | 0 | 0 | 0 | 0 | 111.9 | I33 L42 T44 T95 T96 | I33-V99 HydrophobicContact CD1-CG1 3.49Å; I33-V99 VanDerWaalsContact CD1-CG1 3.49Å; I33-V99 HydrophobicContact CD1-CG2 4.49Å; I33-V99 HydrophobicContact CG1-CG1 4.04Å; I33-V99 HydrophobicContact CG1-CG2 4.13Å; L42-V99 HydrophobicContact CD1-CB 4.19Å; L42-V99 HydrophobicContact CD1-CG1 4.12Å; L42-V99 HydrophobicContact CD1-CG2 3.99Å; T44-V99 HydrophobicContact CG2-CG2 3.97Å; T95-V99 WeakPolarHBondContact O-CG2 3.48Å; T95-V99 PolarHBondContact O-N 3.2Å; T96-V99 PolarHBondContact O-N 2.78Å |
| 100 | H | 91.5 | Very high | 94.7 | Very high | 140 Ų | 140 | 27.5 Ų | 27.5 | 65% | 0.648 | 14% | 0.135 | S | C | * | . | H | α-helix | trans | -87.6 | -1.1 | -179.9 | -75.9 | -81.9 | 0 | 0 | 0 | 114.3 | T96 N97 F98 F102 | T96-H100 PolarHBondContact O-CD2 3.42Å; T96-H100 VanDerWaalsContact O-CD2 3.26Å; T96-H100 PolarHBondContact O-N 3.48Å; N97-H100 CarbonylContact O-C 3.48Å; N97-H100 PolarHBondContact O-N 3.12Å; F98-H100 VanDerWaalsContact C-N 3.29Å; F98-H100 PolarHBondContact O-N 3.24Å; H100-F102 PolarHBondContact O-N 3.33Å |
| 101 | R | 90.4 | Very high | 94.8 | Very high | 121 Ų | 121 | 27.4 Ų | 27.4 | 46% | 0.457 | 14% | 0.135 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.3 | 31.3 | -171.8 | -54.9 | -179.4 | 175.7 | 85.2 | -4.4 | 113 | L27 K29 N97 F98 | L27-R101 HydrophobicContact CD2-CG 4.42Å; L27-R101 PolarHBondContact O-NE 2.99Å; K29-R101 PolarHBondContact O-NH2 2.94Å; N97-R101 CarbonylContact O-C 3.57Å; N97-R101 WeakPolarHBondContact O-CA 3.09Å; N97-R101 PolarHBondContact O-N 3Å; F98-R101 PolarHBondContact O-N 3.4Å; F98-R101 VanDerWaalsContact O-N 3.11Å |
| 102 | F | 94.1 | Very high | 94.8 | Very high | 93 Ų | 93 | 27.4 Ų | 27.4 | 41% | 0.408 | 14% | 0.135 | S | C | . | . | trans | -70.4 | 142.4 | 169.9 | -164.5 | -106.1 | 0 | 0 | 0 | 109 | N97 H100 F104 Q126 P193 | N97-F102 HydrophobicContact CB-CB 3.86Å; N97-F102 HydrophobicContact CB-CD1 4.4Å; N97-F102 PolarHBondContact O-N 3.4Å; N97-F102 WeakPolarHBondContact OD1-CD1 3.32Å; H100-F102 PolarHBondContact O-N 3.33Å; F102-F104 AromaticContact CD1-CD2 3.94Å; F102-F104 HydrophobicContact CD1-CD2 3.94Å; F102-F104 AromaticContact CE1-CD2 3.52Å; F102-F104 HydrophobicContact CE1-CD2 3.52Å; F102-F104 HydrophobicContact CE1-CE2 4.01Å; F102-F104 HydrophobicContact CZ-CD2 4.39Å; F102-F104 HydrophobicContact CZ-CE2 4.48Å; F102-F104 PolarHBondContact O-N 3.46Å; F102-Q126 PolarHBondContact O-NE2 3.28Å; F102-P193 WeakPolarHBondContact CE1-O 3.2Å | ||
| 103 | P | 91.5 | Very high | 94.9 | Very high | 58 Ų | 58 | 28.3 Ų | 28.3 | 38% | 0.377 | 14% | 0.14 | S | C | . | . | S | Bend | trans | -76.6 | 2.6 | -160 | 29.5 | -36.4 | 0 | 0 | 0 | 116.2 | ||
| 104 | F | 95.2 | Very high | 95 | Very high | 47 Ų | 47 | 35 Ų | 35 | 21% | 0.206 | 17% | 0.169 | C | C | . | . | trans | -110.1 | 92.5 | 177.8 | -57.1 | -68.7 | 0 | 0 | 0 | 110.2 | N97 F102 P193 V198 | N97-F104 VanDerWaalsContact CB-O 3.22Å; N97-F104 WeakPolarHBondContact CB-O 3.28Å; N97-F104 PolarHBondContact ND2-O 2.75Å; F102-F104 AromaticContact CD1-CD2 3.94Å; F102-F104 HydrophobicContact CD1-CD2 3.94Å; F102-F104 AromaticContact CE1-CD2 3.52Å; F102-F104 HydrophobicContact CE1-CD2 3.52Å; F102-F104 HydrophobicContact CE1-CE2 4.01Å; F102-F104 HydrophobicContact CZ-CD2 4.39Å; F102-F104 HydrophobicContact CZ-CE2 4.48Å; F102-F104 PolarHBondContact O-N 3.46Å; F104-P193 HydrophobicContact CB-CB 4.46Å; F104-P193 HydrophobicContact CD2-CB 3.86Å; F104-P193 HydrophobicContact CE2-CB 4.26Å; F104-P193 HydrophobicContact CG-CB 4.1Å; F104-V198 HydrophobicContact CB-CG1 4.44Å; F104-V198 HydrophobicContact CD1-CG1 3.88Å; F104-V198 HydrophobicContact CG-CG1 4.4Å | ||
| 105 | V | 95.4 | Very high | 95.3 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 19% | 0.189 | C | C | . | . | trans | -131.2 | 126.9 | 175.1 | 178.7 | 0 | 0 | 0 | 0 | 106.9 | I23 I92 N97 F98 C125 | I23-V105 HydrophobicContact CG2-CG1 4.27Å; I92-V105 HydrophobicContact CG2-CG1 3.55Å; N97-V105 HydrophobicContact CB-CG2 4.02Å; F98-V105 HydrophobicContact CB-CG1 4.07Å; F98-V105 HydrophobicContact CB-CG2 3.9Å; F98-V105 HydrophobicContact CD2-CG1 4.1Å; V105-C125 PolarHBondContact O-N 2.84Å | ||
| 106 | S | 97.3 | Very high | 95.6 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 157.1 | -177.1 | 71.2 | 0 | 0 | 0 | 0 | 114.2 | I92 D93 Y123 S195 | I92-S106 CarbonylContact C-O 3.53Å; I92-S106 WeakPolarHBondContact CA-O 3.49Å; D93-S106 PolarHBondContact N-O 3.32Å; D93-S106 PolarHBondContact O-N 2.74Å; D93-S106 VanDerWaalsContact O-N 3.08Å; S106-Y123 CarbonylContact C-O 3.53Å; S106-Y123 WeakPolarHBondContact CA-O 3.32Å; S106-Y123 WeakPolarHBondContact CB-O 3.45Å; S106-S195 PolarHBondContact OG-OG 2.91Å |
| 107 | M | 97.7 | Very high | 96 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 143.8 | 159.6 | -79.5 | 175.8 | -62 | 0 | 0 | 108.8 | T16 A19 G20 I23 V50 I54 P91 V122 Y123 | T16-M107 HydrophobicContact CG2-CE 3.71Å; T16-M107 VanDerWaalsContact O-CE 3.28Å; T16-M107 WeakPolarHBondContact O-CE 3.24Å; A19-M107 HydrophobicContact CB-CE 4.06Å; A19-M107 HydrophobicContact CB-SD 3.48Å; A19-M107 WeakPolarHBondContact CB-SD 3.49Å; G20-M107 VanDerWaalsContact CA-CE 3.5Å; I23-M107 HydrophobicContact CD1-CE 4.05Å; I23-M107 HydrophobicContact CD1-CG 3.56Å; I23-M107 HydrophobicContact CD1-SD 3.66Å; V50-M107 HydrophobicContact CG1-CG 4.41Å; V50-M107 HydrophobicContact CG1-SD 3.83Å; I54-M107 HydrophobicContact CD1-SD 4.17Å; P91-M107 WeakPolarHBondContact O-CG 3.41Å; M107-V122 CarbonylContact O-C 3.57Å; M107-V122 WeakPolarHBondContact O-CA 3.47Å; M107-Y123 HydrophobicContact CE-CD1 3.6Å; M107-Y123 HydrophobicContact CE-CG 4.36Å; M107-Y123 PolarHBondContact N-O 3.19Å; M107-Y123 PolarHBondContact O-N 3.48Å |
| 108 | S | 98.6 | Very high | 96.2 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 125.8 | 173.1 | 174.7 | 0 | 0 | 0 | 0 | 110 | D90 W219 G223 | D90-S108 PolarHBondContact N-O 2.93Å; D90-S108 PolarHBondContact O-N 3.27Å; S108-W219 PolarHBondContact OG-O 3.3Å; S108-W219 VanDerWaalsContact OG-O 3.13Å; S108-G223 PolarHBondContact OG-N 3.22Å |
| 109 | I | 98.9 | Very high | 96.5 | Very high | 1 Ų | 1 | 43.5 Ų | 43.5 | 1% | 0.005 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 116.7 | 175.4 | -51.6 | 174 | 0 | 0 | 0 | 108.9 | T16 I54 W87 I88 I89 G120 I121 | T16-I109 WeakPolarHBondContact OG1-CD1 3.07Å; I54-I109 HydrophobicContact CD1-CD1 4.16Å; I54-I109 HydrophobicContact CG2-CD1 4.03Å; W87-I109 HydrophobicContact CE3-CG2 4.37Å; I88-I109 CarbonylContact O-C 3.48Å; I88-I109 WeakPolarHBondContact O-CA 3.06Å; I89-I109 HydrophobicContact CG1-CG2 4.15Å; I109-G120 CarbonylContact O-C 3.54Å; I109-G120 VanDerWaalsContact O-CA 3.3Å; I109-G120 WeakPolarHBondContact O-CA 3.42Å; I109-I121 PolarHBondContact N-O 2.74Å; I109-I121 PolarHBondContact O-N 3.44Å |
| 110 | G | 98.8 | Very high | 96.9 | Very high | 1 Ų | 1 | 42.7 Ų | 42.7 | 1% | 0.01 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 145.4 | 168.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | I88 | I88-G110 PolarHBondContact N-O 3.49Å; I88-G110 PolarHBondContact O-N 3.29Å |
| 111 | F | 98.9 | Very high | 97.2 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 121.8 | 171.9 | 179.2 | -107.2 | 0 | 0 | 0 | 110 | W5 C8 H65 P85 T86 W87 V113 E118 F119 | W5-F111 HydrophobicContact CB-CE1 4.18Å; W5-F111 AromaticContact CD2-CE1 3.82Å; W5-F111 HydrophobicContact CD2-CE1 3.82Å; W5-F111 HydrophobicContact CD2-CZ 4.33Å; W5-F111 AromaticContact CE3-CE1 3.9Å; W5-F111 HydrophobicContact CE3-CE1 3.9Å; W5-F111 AromaticContact CE3-CZ 3.95Å; W5-F111 HydrophobicContact CE3-CZ 3.95Å; W5-F111 AromaticContact CG-CE1 3.93Å; W5-F111 HydrophobicContact CG-CE1 3.93Å; W5-F111 HydrophobicContact CZ3-CZ 4.27Å; C8-F111 HydrophobicContact CB-CZ 4.49Å; H65-F111 AromaticContact CE1-CE2 3.97Å; H65-F111 AromaticContact ND1-CE2 3.71Å; P85-F111 HydrophobicContact CB-CE2 3.81Å; P85-F111 HydrophobicContact CB-CZ 3.7Å; T86-F111 WeakPolarHBondContact O-CA 3.4Å; W87-F111 AromaticContact CD2-CD2 3.63Å; W87-F111 HydrophobicContact CD2-CD2 3.63Å; W87-F111 HydrophobicContact CD2-CE2 4.12Å; W87-F111 AromaticContact CE2-CD2 3.73Å; W87-F111 AromaticContact CE2-CE2 3.73Å; W87-F111 HydrophobicContact CE3-CB 4.34Å; W87-F111 AromaticContact CE3-CD2 3.77Å; W87-F111 HydrophobicContact CE3-CD2 3.77Å; W87-F111 HydrophobicContact CE3-CG 4.44Å; W87-F111 HydrophobicContact CG-CD2 4.23Å; W87-F111 HydrophobicContact CH2-CD2 4.18Å; W87-F111 HydrophobicContact CH2-CE2 4.38Å; W87-F111 HydrophobicContact CZ2-CD2 4.01Å; W87-F111 AromaticContact CZ2-CE2 3.88Å; W87-F111 HydrophobicContact CZ2-CE2 3.88Å; W87-F111 HydrophobicContact CZ3-CD2 4.05Å; F111-V113 HydrophobicContact CD1-CG2 4.25Å; F111-V113 HydrophobicContact CE1-CG2 3.53Å; F111-V113 HydrophobicContact CZ-CG2 3.85Å; F111-E118 HydrophobicContact CD1-CB 3.99Å; F111-E118 PolarHBondContact O-N 3.49Å; F111-F119 HydrophobicContact CB-CD1 3.81Å; F111-F119 HydrophobicContact CB-CD2 3.84Å; F111-F119 HydrophobicContact CB-CE1 3.44Å; F111-F119 VanDerWaalsContact CB-CE1 3.44Å; F111-F119 HydrophobicContact CB-CE2 3.46Å; F111-F119 VanDerWaalsContact CB-CE2 3.46Å; F111-F119 HydrophobicContact CB-CG 4Å; F111-F119 HydrophobicContact CB-CZ 3.25Å; F111-F119 AromaticContact CD1-CD1 3.61Å; F111-F119 HydrophobicContact CD1-CD1 3.61Å; F111-F119 AromaticContact CD1-CE1 3.16Å; F111-F119 HydrophobicContact CD1-CE1 3.16Å; F111-F119 AromaticContact CD1-CZ 3.82Å; F111-F119 HydrophobicContact CD1-CZ 3.82Å; F111-F119 HydrophobicContact CD2-CE1 4.35Å; F111-F119 HydrophobicContact CD2-CZ 4.23Å; F111-F119 AromaticContact CE1-CE1 3.91Å; F111-F119 HydrophobicContact CE1-CE1 3.91Å; F111-F119 HydrophobicContact CG-CD1 4.05Å; F111-F119 AromaticContact CG-CE1 3.4Å; F111-F119 HydrophobicContact CG-CE1 3.4Å; F111-F119 VanDerWaalsContact CG-CE1 3.4Å; F111-F119 HydrophobicContact CG-CE2 4.25Å; F111-F119 AromaticContact CG-CZ 3.52Å; F111-F119 HydrophobicContact CG-CZ 3.52Å; F111-F119 PolarHBondContact N-O 3.3Å; F111-F119 PolarHBondContact O-N 3.14Å |
| 112 | A | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 142.8 | -176.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | L81 P85 T86 I88 E116 | L81-A112 HydrophobicContact CD1-CB 4.14Å; P85-A112 CarbonylContact C-O 3.56Å; P85-A112 WeakPolarHBondContact CA-O 3.44Å; T86-A112 PolarHBondContact N-O 3.22Å; T86-A112 PolarHBondContact O-N 3.25Å; I88-A112 HydrophobicContact CD1-CB 4.33Å; A112-E116 CarbonylContact C-O 3.58Å; A112-E116 WeakPolarHBondContact CA-O 3.48Å |
| 113 | V | 98.6 | Very high | 97.9 | Very high | 19 Ų | 19 | 27.3 Ų | 27.3 | 12% | 0.115 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 132.1 | 174 | 179.5 | 0 | 0 | 0 | 0 | 107.3 | W5 P85 F111 K115 E116 E118 | W5-V113 HydrophobicContact CD2-CG2 4.48Å; W5-V113 HydrophobicContact CH2-CG2 4.43Å; W5-V113 HydrophobicContact CZ2-CG1 4.06Å; W5-V113 HydrophobicContact CZ2-CG2 3.88Å; P85-V113 HydrophobicContact CB-CG2 4.21Å; P85-V113 HydrophobicContact CG-CG2 4.27Å; F111-V113 HydrophobicContact CD1-CG2 4.25Å; F111-V113 HydrophobicContact CE1-CG2 3.53Å; F111-V113 HydrophobicContact CZ-CG2 3.85Å; V113-K115 PolarHBondContact O-N 3.48Å; V113-E116 PolarHBondContact N-O 2.89Å; V113-E116 PolarHBondContact O-N 3.3Å; V113-E118 HydrophobicContact CB-CG 4Å; V113-E118 HydrophobicContact CG2-CG 3.99Å |
| 114 | K | 98.1 | Very high | 98.1 | Very high | 153 Ų | 153 | 24.6 Ų | 24.6 | 67% | 0.665 | 11% | 0.111 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52.9 | 39.5 | -173.9 | -61.2 | 178.1 | -179.5 | -176.5 | 0 | 112.2 | D83 E116 | D83-K114 HydrophobicContact CB-CG 4.34Å; D83-K114 PolarHBondContact O-N 3.45Å; K114-E116 PolarHBondContact O-N 2.95Å |
| 115 | K | 97.9 | Very high | 98 | Very high | 121 Ų | 121 | 22.3 Ų | 22.3 | 53% | 0.526 | 10% | 0.101 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 60.9 | 9.5 | -176.9 | -47.2 | -177.7 | -175.5 | -173 | 0 | 115.3 | L81 T82 D83 V113 | L81-K115 HydrophobicContact CD2-CB 4.07Å; L81-K115 HydrophobicContact CD2-CG 4.45Å; L81-K115 HydrophobicContact CG-CB 4.32Å; L81-K115 HydrophobicContact CG-CG 4.19Å; L81-K115 VanDerWaalsContact O-CE 3.26Å; L81-K115 WeakPolarHBondContact O-CE 3.26Å; T82-K115 WeakPolarHBondContact O-CG 3.5Å; D83-K115 WeakPolarHBondContact OD1-CE 3.48Å; V113-K115 PolarHBondContact O-N 3.48Å |
| 116 | E | 98.1 | Very high | 97.7 | Very high | 102 Ų | 102 | 26 Ų | 26 | 48% | 0.477 | 12% | 0.118 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 132.6 | 177.1 | -72 | -67.4 | 164.1 | 0 | 0 | 110.1 | A112 V113 K114 E118 | A112-E116 CarbonylContact C-O 3.58Å; A112-E116 WeakPolarHBondContact CA-O 3.48Å; V113-E116 PolarHBondContact N-O 2.89Å; V113-E116 PolarHBondContact O-N 3.3Å; K114-E116 PolarHBondContact O-N 2.95Å; E116-E118 PolarHBondContact O-N 2.99Å |
| 117 | I | 98.4 | Very high | 97.6 | Very high | 12 Ų | 12 | 29 Ų | 29 | 6% | 0.062 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 121.3 | 179.1 | -56.5 | 171.1 | 0 | 0 | 0 | 109 | A222 A225 A226 L245 | I117-A222 HydrophobicContact CD1-CB 4.47Å; I117-A225 HydrophobicContact CD1-CB 3.69Å; I117-A226 HydrophobicContact CG2-CB 3.77Å; I117-L245 HydrophobicContact CD1-CD1 4.36Å; I117-L245 HydrophobicContact CD1-CD2 4.13Å; I117-L245 HydrophobicContact CG1-CD2 4.29Å |
| 118 | E | 98.7 | Very high | 97.5 | Very high | 29 Ų | 29 | 30.4 Ų | 30.4 | 14% | 0.136 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | -36.5 | -177.6 | -75.1 | -62.9 | 129.1 | 0 | 0 | 112 | F111 V113 E116 R134 K135 | F111-E118 HydrophobicContact CD1-CB 3.99Å; F111-E118 PolarHBondContact O-N 3.49Å; V113-E118 HydrophobicContact CB-CG 4Å; V113-E118 HydrophobicContact CG2-CG 3.99Å; E116-E118 PolarHBondContact O-N 2.99Å; E118-R134 WeakPolarHBondContact O-CD 3.44Å; E118-R134 PolarHBondContact O-NH1 2.84Å; E118-R134 IonicContact OE2-CZ 3.56Å; E118-R134 IonicContact OE2-NH1 3.25Å; E118-R134 PolarHBondContact OE2-NH1 3.33Å; E118-R134 IonicContact OE2-NH2 3.04Å; E118-R134 PolarHBondContact OE2-NH2 3.25Å; E118-K135 WeakPolarHBondContact O-CB 3.3Å; E118-K135 PolarHBondContact O-N 3.33Å; E118-K135 IonicContact OE1-NZ 3.36Å; E118-K135 PolarHBondContact OE1-NZ 2.82Å |
| 119 | F | 98.9 | Very high | 97.4 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.3 | 166.1 | 169.6 | 64.1 | -101.6 | 0 | 0 | 0 | 111.4 | W5 C8 M9 C12 W87 F111 A133 R134 | W5-F119 HydrophobicContact CB-CE1 4.45Å; C8-F119 HydrophobicContact CB-CE1 3.83Å; C8-F119 HydrophobicContact CB-CZ 3.99Å; M9-F119 HydrophobicContact CB-CD1 3.98Å; M9-F119 HydrophobicContact CB-CD2 4.19Å; M9-F119 HydrophobicContact CB-CE1 3.94Å; M9-F119 HydrophobicContact CB-CE2 4.17Å; M9-F119 HydrophobicContact CB-CG 4.1Å; M9-F119 HydrophobicContact CB-CZ 4.04Å; M9-F119 HydrophobicContact CG-CD1 4.5Å; M9-F119 HydrophobicContact CG-CD2 4.03Å; M9-F119 HydrophobicContact CG-CE2 4.33Å; M9-F119 HydrophobicContact CG-CG 4.13Å; M9-F119 HydrophobicContact SD-CB 4.23Å; M9-F119 HydrophobicContact SD-CG 4.44Å; C12-F119 HydrophobicContact CB-CE2 4.35Å; W87-F119 HydrophobicContact CE3-CZ 4.44Å; W87-F119 HydrophobicContact CH2-CZ 4.02Å; W87-F119 HydrophobicContact CZ3-CE2 4.07Å; W87-F119 AromaticContact CZ3-CZ 3.61Å; W87-F119 HydrophobicContact CZ3-CZ 3.61Å; F111-F119 HydrophobicContact CB-CD1 3.81Å; F111-F119 HydrophobicContact CB-CD2 3.84Å; F111-F119 HydrophobicContact CB-CE1 3.44Å; F111-F119 VanDerWaalsContact CB-CE1 3.44Å; F111-F119 HydrophobicContact CB-CE2 3.46Å; F111-F119 VanDerWaalsContact CB-CE2 3.46Å; F111-F119 HydrophobicContact CB-CG 4Å; F111-F119 HydrophobicContact CB-CZ 3.25Å; F111-F119 AromaticContact CD1-CD1 3.61Å; F111-F119 HydrophobicContact CD1-CD1 3.61Å; F111-F119 AromaticContact CD1-CE1 3.16Å; F111-F119 HydrophobicContact CD1-CE1 3.16Å; F111-F119 AromaticContact CD1-CZ 3.82Å; F111-F119 HydrophobicContact CD1-CZ 3.82Å; F111-F119 HydrophobicContact CD2-CE1 4.35Å; F111-F119 HydrophobicContact CD2-CZ 4.23Å; F111-F119 AromaticContact CE1-CE1 3.91Å; F111-F119 HydrophobicContact CE1-CE1 3.91Å; F111-F119 HydrophobicContact CG-CD1 4.05Å; F111-F119 AromaticContact CG-CE1 3.4Å; F111-F119 HydrophobicContact CG-CE1 3.4Å; F111-F119 VanDerWaalsContact CG-CE1 3.4Å; F111-F119 HydrophobicContact CG-CE2 4.25Å; F111-F119 AromaticContact CG-CZ 3.52Å; F111-F119 HydrophobicContact CG-CZ 3.52Å; F111-F119 PolarHBondContact N-O 3.3Å; F111-F119 PolarHBondContact O-N 3.14Å; F119-A133 CarbonylContact C-O 3.52Å; F119-A133 WeakPolarHBondContact CA-O 3.2Å; F119-A133 WeakPolarHBondContact CB-O 3.5Å; F119-R134 HydrophobicContact CB-CB 4.3Å |
| 120 | G | 98.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.7 | 148.2 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | I109 T132 A133 A226 | I109-G120 CarbonylContact O-C 3.54Å; I109-G120 VanDerWaalsContact O-CA 3.3Å; I109-G120 WeakPolarHBondContact O-CA 3.42Å; G120-T132 WeakPolarHBondContact O-CA 3.45Å; G120-A133 PolarHBondContact N-O 3.33Å; G120-A133 PolarHBondContact O-N 3.07Å; G120-A226 VanDerWaalsContact N-CB 3.27Å |
| 121 | I | 98.9 | Very high | 97.4 | Very high | 1 Ų | 1 | 34.5 Ų | 34.5 | 1% | 0.005 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 128.8 | 176.4 | -61.2 | 168.4 | 0 | 0 | 0 | 106.9 | C12 L13 T16 I109 M130 Y131 T132 | C12-I121 HydrophobicContact CB-CD1 3.73Å; L13-I121 HydrophobicContact CB-CD1 4.48Å; L13-I121 HydrophobicContact CD2-CD1 3.66Å; L13-I121 HydrophobicContact CD2-CG1 3.99Å; L13-I121 HydrophobicContact CD2-CG2 4.06Å; L13-I121 HydrophobicContact CG-CD1 3.65Å; L13-I121 HydrophobicContact CG-CG1 4.41Å; T16-I121 HydrophobicContact CG2-CG2 4.02Å; I109-I121 PolarHBondContact N-O 2.74Å; I109-I121 PolarHBondContact O-N 3.44Å; I121-M130 HydrophobicContact CG2-SD 3.54Å; I121-M130 VanDerWaalsContact CG2-SD 3.54Å; I121-Y131 WeakPolarHBondContact CA-O 3.15Å; I121-T132 HydrophobicContact CG1-CG2 4.4Å |
| 122 | V | 98.9 | Very high | 97.4 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 124.5 | 170.3 | 175.1 | 0 | 0 | 0 | 0 | 107.9 | M107 Y131 A197 I227 | M107-V122 CarbonylContact O-C 3.57Å; M107-V122 WeakPolarHBondContact O-CA 3.47Å; V122-Y131 HydrophobicContact CB-CD2 4.43Å; V122-Y131 HydrophobicContact CG1-CD2 4.35Å; V122-Y131 PolarHBondContact N-O 3.04Å; V122-Y131 WeakPolarHBondContact O-CA 3.42Å; V122-Y131 WeakPolarHBondContact O-CB 3.13Å; V122-Y131 WeakPolarHBondContact O-CD2 3.44Å; V122-Y131 PolarHBondContact O-N 3.17Å; V122-A197 HydrophobicContact CG1-CB 3.82Å; V122-A197 HydrophobicContact CG2-CB 4.02Å; V122-I227 HydrophobicContact CB-CD1 3.74Å; V122-I227 HydrophobicContact CG2-CD1 3.5Å; V122-I227 VanDerWaalsContact CG2-CD1 3.5Å |
| 123 | Y | 98.6 | Very high | 97.4 | Very high | 30 Ų | 30 | 35.4 Ų | 35.4 | 12% | 0.118 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 105.2 | 178.9 | -177.3 | -125 | 0 | 0 | 0 | 110.7 | T16 Q24 S106 M107 C125 K129 M130 | T16-Y123 HydrophobicContact CG2-CG 4.4Å; Q24-Y123 PolarHBondContact NE2-OH 2.84Å; S106-Y123 CarbonylContact C-O 3.53Å; S106-Y123 WeakPolarHBondContact CA-O 3.32Å; S106-Y123 WeakPolarHBondContact CB-O 3.45Å; M107-Y123 HydrophobicContact CE-CD1 3.6Å; M107-Y123 HydrophobicContact CE-CG 4.36Å; M107-Y123 PolarHBondContact N-O 3.19Å; M107-Y123 PolarHBondContact O-N 3.48Å; Y123-C125 HydrophobicContact CD1-CB 4.39Å; Y123-C125 WeakPolarHBondContact CD1-SG 3.47Å; Y123-C125 HydrophobicContact CE1-CB 4.23Å; Y123-C125 PolarHBondContact O-N 3.05Å; Y123-C125 VanDerWaalsContact O-N 3.17Å; Y123-C125 PolarHBondContact O-SG 3.07Å; Y123-C125 VanDerWaalsContact O-SG 3.41Å; Y123-K129 WeakPolarHBondContact CD2-O 3.28Å; Y123-M130 HydrophobicContact CD1-CE 4.42Å; Y123-M130 HydrophobicContact CD2-CB 4.01Å; Y123-M130 HydrophobicContact CD2-CE 3.45Å; Y123-M130 VanDerWaalsContact CD2-CE 3.45Å; Y123-M130 HydrophobicContact CD2-SD 3.97Å; Y123-M130 HydrophobicContact CE2-CB 4.48Å; Y123-M130 HydrophobicContact CE2-CE 4.09Å; Y123-M130 HydrophobicContact CG-CE 3.64Å; Y123-M130 HydrophobicContact CG-SD 4.2Å |
| 124 | S | 97.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 102.4 | 170.4 | -178.4 | 0 | 0 | 0 | 0 | 108.8 | E127 G128 K129 | S124-E127 WeakPolarHBondContact CB-OE2 3.39Å; S124-E127 PolarHBondContact O-N 2.93Å; S124-E127 WeakPolarHBondContact OG-CG 3.18Å; S124-E127 PolarHBondContact OG-OE2 2.98Å; S124-G128 PolarHBondContact O-N 3.14Å; S124-K129 PolarHBondContact N-O 3.43Å; S124-K129 PolarHBondContact O-N 3.48Å |
| 125 | C | 92.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 16% | 0.157 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | -42 | -162.5 | -68.6 | 0 | 0 | 0 | 0 | 112.6 | I23 Q24 V105 Y123 | I23-C125 HydrophobicContact CG2-CB 3.97Å; Q24-C125 PolarHBondContact NE2-O 2.85Å; V105-C125 PolarHBondContact O-N 2.84Å; Y123-C125 HydrophobicContact CD1-CB 4.39Å; Y123-C125 WeakPolarHBondContact CD1-SG 3.47Å; Y123-C125 HydrophobicContact CE1-CB 4.23Å; Y123-C125 PolarHBondContact O-N 3.05Å; Y123-C125 VanDerWaalsContact O-N 3.17Å; Y123-C125 PolarHBondContact O-SG 3.07Å; Y123-C125 VanDerWaalsContact O-SG 3.41Å |
| 126 | Q | 89.1 | Confident | 97.4 | Very high | 76 Ų | 76 | 30.2 Ų | 30.2 | 36% | 0.355 | 16% | 0.163 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.3 | -35.6 | 179.4 | -73 | -174 | 54.7 | 0 | 0 | 112.3 | L27 F102 G128 | L27-Q126 HydrophobicContact CD1-CG 3.42Å; L27-Q126 VanDerWaalsContact CD1-CG 3.42Å; F102-Q126 PolarHBondContact O-NE2 3.28Å; Q126-G128 VanDerWaalsContact C-N 3.29Å; Q126-G128 PolarHBondContact O-N 3.28Å |
| 127 | E | 93.9 | Very high | 97.4 | Very high | 63 Ų | 63 | 31.6 Ų | 31.6 | 29% | 0.294 | 17% | 0.167 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.5 | -16.3 | 178 | -61.6 | -176.9 | 89.9 | 0 | 0 | 113 | S124 K129 | S124-E127 WeakPolarHBondContact CB-OE2 3.39Å; S124-E127 PolarHBondContact O-N 2.93Å; S124-E127 WeakPolarHBondContact OG-CG 3.18Å; S124-E127 PolarHBondContact OG-OE2 2.98Å; E127-K129 VanDerWaalsContact C-N 3.29Å; E127-K129 HydrophobicContact CB-CB 4.4Å; E127-K129 HydrophobicContact CB-CD 4.05Å; E127-K129 HydrophobicContact CB-CG 3.94Å; E127-K129 PolarHBondContact O-N 2.95Å; E127-K129 WeakPolarHBondContact OE1-CE 3.48Å; E127-K129 IonicContact OE1-NZ 3.42Å; E127-K129 PolarHBondContact OE1-NZ 3.33Å |
| 128 | G | 95.8 | Very high | 97.4 | Very high | 30 Ų | 30 | 32 Ų | 32 | 31% | 0.309 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 64 | 34.9 | -173.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | S124 Q126 N142 | S124-G128 PolarHBondContact O-N 3.14Å; Q126-G128 VanDerWaalsContact C-N 3.29Å; Q126-G128 PolarHBondContact O-N 3.28Å; G128-N142 PolarHBondContact O-ND2 3.25Å; G128-N142 PolarHBondContact O-OD1 2.73Å |
| 129 | K | 98.2 | Very high | 97.4 | Very high | 68 Ų | 68 | 30.8 Ų | 30.8 | 30% | 0.296 | 17% | 0.169 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 113.5 | -179.4 | -66.8 | 179.3 | -174.5 | 162.3 | 0 | 110.6 | Y123 S124 E127 Y131 | Y123-K129 WeakPolarHBondContact CD2-O 3.28Å; S124-K129 PolarHBondContact N-O 3.43Å; S124-K129 PolarHBondContact O-N 3.48Å; E127-K129 VanDerWaalsContact C-N 3.29Å; E127-K129 HydrophobicContact CB-CB 4.4Å; E127-K129 HydrophobicContact CB-CD 4.05Å; E127-K129 HydrophobicContact CB-CG 3.94Å; E127-K129 PolarHBondContact O-N 2.95Å; E127-K129 WeakPolarHBondContact OE1-CE 3.48Å; E127-K129 IonicContact OE1-NZ 3.42Å; E127-K129 PolarHBondContact OE1-NZ 3.33Å; K129-Y131 HydrophobicContact CB-CD2 4.44Å; K129-Y131 HydrophobicContact CB-CE2 3.7Å; K129-Y131 WeakPolarHBondContact CD-OH 3.46Å |
| 130 | M | 98.6 | Very high | 97.4 | Very high | 18 Ų | 18 | 33.9 Ų | 33.9 | 9% | 0.089 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 104 | 175.8 | -175.5 | 65.9 | 72.4 | 0 | 0 | 109.6 | L13 T16 K17 I121 Y123 T132 C141 N142 | L13-M130 HydrophobicContact CD2-CG 4.18Å; L13-M130 HydrophobicContact CD2-SD 4.07Å; T16-M130 HydrophobicContact CG2-CE 3.85Å; T16-M130 HydrophobicContact CG2-SD 4.2Å; K17-M130 HydrophobicContact CG-CE 3.98Å; I121-M130 HydrophobicContact CG2-SD 3.54Å; I121-M130 VanDerWaalsContact CG2-SD 3.54Å; Y123-M130 HydrophobicContact CD1-CE 4.42Å; Y123-M130 HydrophobicContact CD2-CB 4.01Å; Y123-M130 HydrophobicContact CD2-CE 3.45Å; Y123-M130 VanDerWaalsContact CD2-CE 3.45Å; Y123-M130 HydrophobicContact CD2-SD 3.97Å; Y123-M130 HydrophobicContact CE2-CB 4.48Å; Y123-M130 HydrophobicContact CE2-CE 4.09Å; Y123-M130 HydrophobicContact CG-CE 3.64Å; Y123-M130 HydrophobicContact CG-SD 4.2Å; M130-T132 HydrophobicContact CG-CG2 3.91Å; M130-C141 CarbonylContact O-C 3.51Å; M130-C141 WeakPolarHBondContact O-CA 3.44Å; M130-N142 PolarHBondContact N-OD1 2.99Å; M130-N142 PolarHBondContact O-N 3.23Å |
| 131 | Y | 98.9 | Very high | 97.4 | Very high | 3 Ų | 3 | 34.9 Ų | 34.9 | 1% | 0.012 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 133.9 | 174 | -54.3 | -84.8 | 0 | 0 | 0 | 110 | I121 V122 K129 F140 C141 I146 C201 C205 | I121-Y131 WeakPolarHBondContact CA-O 3.15Å; V122-Y131 HydrophobicContact CB-CD2 4.43Å; V122-Y131 HydrophobicContact CG1-CD2 4.35Å; V122-Y131 PolarHBondContact N-O 3.04Å; V122-Y131 WeakPolarHBondContact O-CA 3.42Å; V122-Y131 WeakPolarHBondContact O-CB 3.13Å; V122-Y131 WeakPolarHBondContact O-CD2 3.44Å; V122-Y131 PolarHBondContact O-N 3.17Å; K129-Y131 HydrophobicContact CB-CD2 4.44Å; K129-Y131 HydrophobicContact CB-CE2 3.7Å; K129-Y131 WeakPolarHBondContact CD-OH 3.46Å; Y131-F140 CarbonylContact C-O 3.56Å; Y131-F140 VanDerWaalsContact CA-O 3.28Å; Y131-F140 WeakPolarHBondContact CA-O 3.04Å; Y131-C141 HydrophobicContact CD1-CB 3.68Å; Y131-C141 HydrophobicContact CE1-CB 3.75Å; Y131-C141 WeakPolarHBondContact CE1-SG 3.39Å; Y131-I146 HydrophobicContact CD1-CD1 4.21Å; Y131-C201 HydrophobicContact CD1-CB 3.88Å; Y131-C201 HydrophobicContact CD2-CB 3.8Å; Y131-C201 HydrophobicContact CE1-CB 3.89Å; Y131-C201 HydrophobicContact CE2-CB 3.79Å; Y131-C201 HydrophobicContact CG-CB 3.83Å; Y131-C205 VanDerWaalsContact CE1-SG 3.55Å |
| 132 | T | 98.9 | Very high | 97.4 | Very high | 18 Ų | 18 | 39.2 Ų | 39.2 | 11% | 0.11 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 142.4 | -176.2 | 63.7 | 0 | 0 | 0 | 0 | 110.5 | M9 L13 G120 I121 M130 S139 F140 | M9-T132 HydrophobicContact CE-CG2 4.46Å; L13-T132 HydrophobicContact CD2-CG2 3.52Å; G120-T132 WeakPolarHBondContact O-CA 3.45Å; I121-T132 HydrophobicContact CG1-CG2 4.4Å; M130-T132 HydrophobicContact CG-CG2 3.91Å; T132-S139 WeakPolarHBondContact O-CA 3.41Å; T132-F140 PolarHBondContact N-O 2.99Å; T132-F140 PolarHBondContact O-N 2.73Å |
| 133 | A | 98.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 141.6 | 172 | 0 | 0 | 0 | 0 | 0 | 110.8 | F119 G120 G138 A226 I227 E230 | F119-A133 CarbonylContact C-O 3.52Å; F119-A133 WeakPolarHBondContact CA-O 3.2Å; F119-A133 WeakPolarHBondContact CB-O 3.5Å; G120-A133 PolarHBondContact N-O 3.33Å; G120-A133 PolarHBondContact O-N 3.07Å; A133-G138 WeakPolarHBondContact CA-O 3.25Å; A133-A226 HydrophobicContact CB-CB 4.31Å; A133-A226 WeakPolarHBondContact CB-O 3.49Å; A133-I227 HydrophobicContact CB-CB 4.36Å; A133-I227 HydrophobicContact CB-CG1 3.98Å; A133-E230 HydrophobicContact CB-CB 3.89Å; A133-E230 HydrophobicContact CB-CG 3.98Å |
| 134 | R | 98.4 | Very high | 97.4 | Very high | 23 Ų | 23 | 47 Ų | 47 | 9% | 0.087 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 133.1 | 174.9 | 170.6 | 73 | -175.9 | 112 | -0.8 | 107.7 | D3 W5 M9 E118 F119 G136 K137 E230 | D3-R134 IonicContact OD1-CZ 3.75Å; D3-R134 IonicContact OD1-NE 2.71Å; D3-R134 PolarHBondContact OD1-NE 3.01Å; D3-R134 IonicContact OD1-NH2 3.35Å; D3-R134 PolarHBondContact OD1-NH2 3.21Å; D3-R134 IonicContact OD2-CZ 2.59Å; D3-R134 IonicContact OD2-NE 3.43Å; D3-R134 PolarHBondContact OD2-NE 2.91Å; D3-R134 IonicContact OD2-NH2 2.87Å; W5-R134 VanDerWaalsContact CD1-NH2 3.35Å; M9-R134 HydrophobicContact CE-CB 4.36Å; M9-R134 HydrophobicContact SD-CB 3.78Å; M9-R134 HydrophobicContact SD-CG 4.42Å; E118-R134 WeakPolarHBondContact O-CD 3.44Å; E118-R134 PolarHBondContact O-NH1 2.84Å; E118-R134 IonicContact OE2-CZ 3.56Å; E118-R134 IonicContact OE2-NH1 3.25Å; E118-R134 PolarHBondContact OE2-NH1 3.33Å; E118-R134 IonicContact OE2-NH2 3.04Å; E118-R134 PolarHBondContact OE2-NH2 3.25Å; F119-R134 HydrophobicContact CB-CB 4.3Å; R134-G136 PolarHBondContact O-N 2.79Å; R134-K137 HydrophobicContact CB-CB 3.93Å; R134-K137 HydrophobicContact CB-CG 3.97Å; R134-K137 HydrophobicContact CG-CB 4.11Å; R134-K137 HydrophobicContact CG-CG 3.56Å; R134-K137 WeakPolarHBondContact O-CA 3.37Å; R134-K137 VanDerWaalsContact O-CB 3.32Å; R134-K137 WeakPolarHBondContact O-CB 3.4Å; R134-K137 PolarHBondContact O-N 3.07Å; R134-E230 VanDerWaalsContact O-CD 3.31Å |
| 135 | K | 98.1 | Very high | 97.4 | Very high | 98 Ų | 98 | 51.6 Ų | 51.6 | 43% | 0.426 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -48.6 | 121 | -177.6 | -171.1 | 172.7 | -179.8 | 172.9 | 0 | 112.3 | E118 K137 E230 | E118-K135 WeakPolarHBondContact O-CB 3.3Å; E118-K135 PolarHBondContact O-N 3.33Å; E118-K135 IonicContact OE1-NZ 3.36Å; E118-K135 PolarHBondContact OE1-NZ 2.82Å; K135-K137 VanDerWaalsContact C-N 3.31Å; K135-K137 PolarHBondContact O-N 2.88Å; K135-E230 VanDerWaalsContact CA-OE1 3.29Å; K135-E230 WeakPolarHBondContact CA-OE1 3.42Å |
| 136 | G | 97.8 | Very high | 97.7 | Very high | 63 Ų | 63 | 52.9 Ų | 52.9 | 65% | 0.649 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.6 | 18.1 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | R134 E230 | R134-G136 PolarHBondContact O-N 2.79Å; G136-E230 WeakPolarHBondContact CA-OE2 3.49Å; G136-E230 PolarHBondContact N-OE1 3.39Å; G136-E230 PolarHBondContact N-OE2 3.13Å |
| 137 | K | 98.1 | Very high | 98.2 | Very high | 131 Ų | 131 | 57.1 Ų | 57.1 | 57% | 0.57 | 32% | 0.319 | S | S | * | . | S | Bend | trans | -122.8 | -3 | -179.3 | -56.4 | -62.6 | 177.5 | -171.9 | 0 | 113.4 | R134 K135 F140 E230 | R134-K137 HydrophobicContact CB-CB 3.93Å; R134-K137 HydrophobicContact CB-CG 3.97Å; R134-K137 HydrophobicContact CG-CB 4.11Å; R134-K137 HydrophobicContact CG-CG 3.56Å; R134-K137 WeakPolarHBondContact O-CA 3.37Å; R134-K137 VanDerWaalsContact O-CB 3.32Å; R134-K137 WeakPolarHBondContact O-CB 3.4Å; R134-K137 PolarHBondContact O-N 3.07Å; K135-K137 VanDerWaalsContact C-N 3.31Å; K135-K137 PolarHBondContact O-N 2.88Å; K137-F140 WeakPolarHBondContact O-CE2 3.34Å; K137-E230 PolarHBondContact N-OE2 3.44Å |
| 138 | G | 98.4 | Very high | 98.4 | Very high | 21 Ų | 21 | 55 Ų | 55 | 22% | 0.216 | 31% | 0.31 | C | S | . | . | trans | 88.2 | 176.7 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | A133 E230 | A133-G138 WeakPolarHBondContact CA-O 3.25Å; G138-E230 VanDerWaalsContact C-CB 3.49Å; G138-E230 PolarHBondContact N-OE2 3.49Å | ||
| 139 | S | 98.8 | Very high | 98.5 | Very high | 3 Ų | 3 | 56.1 Ų | 56.1 | 2% | 0.021 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 138.7 | -176 | -165.5 | 0 | 0 | 0 | 0 | 109.4 | T132 P145 I146 I227 | T132-S139 WeakPolarHBondContact O-CA 3.41Å; S139-P145 WeakPolarHBondContact O-CA 3.45Å; S139-I146 PolarHBondContact O-N 2.88Å; S139-I227 WeakPolarHBondContact CB-O 3.35Å; S139-I227 WeakPolarHBondContact OG-CG2 3.47Å; S139-I227 PolarHBondContact OG-O 3.14Å |
| 140 | F | 98.9 | Very high | 98.5 | Very high | 65 Ų | 65 | 55 Ų | 55 | 29% | 0.285 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 147.4 | -172.1 | -54.5 | -96.6 | 0 | 0 | 0 | 111.5 | Y131 T132 K137 G143 E144 P145 | Y131-F140 CarbonylContact C-O 3.56Å; Y131-F140 VanDerWaalsContact CA-O 3.28Å; Y131-F140 WeakPolarHBondContact CA-O 3.04Å; T132-F140 PolarHBondContact N-O 2.99Å; T132-F140 PolarHBondContact O-N 2.73Å; K137-F140 WeakPolarHBondContact O-CE2 3.34Å; F140-G143 WeakPolarHBondContact CD1-O 3.05Å; F140-E144 CarbonylContact C-O 3.58Å; F140-E144 WeakPolarHBondContact CA-O 3.26Å; F140-P145 HydrophobicContact CD1-CB 4.3Å; F140-P145 HydrophobicContact CD1-CG 4.11Å; F140-P145 HydrophobicContact CE1-CB 4.29Å; F140-P145 HydrophobicContact CE1-CG 3.93Å |
| 141 | C | 98.8 | Very high | 98.5 | Very high | 21 Ų | 21 | 56.8 Ų | 56.8 | 14% | 0.142 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 118.7 | 167 | 177 | 0 | 0 | 0 | 0 | 108.7 | M130 Y131 G143 E144 I146 | M130-C141 CarbonylContact O-C 3.51Å; M130-C141 WeakPolarHBondContact O-CA 3.44Å; Y131-C141 HydrophobicContact CD1-CB 3.68Å; Y131-C141 HydrophobicContact CE1-CB 3.75Å; Y131-C141 WeakPolarHBondContact CE1-SG 3.39Å; C141-G143 PolarHBondContact O-N 3.48Å; C141-G143 VanDerWaalsContact O-N 3.16Å; C141-E144 PolarHBondContact N-O 3.46Å; C141-E144 PolarHBondContact O-N 3.15Å; C141-I146 HydrophobicContact CB-CG2 3.64Å |
| 142 | N | 98.5 | Very high | 98.5 | Very high | 93 Ų | 93 | 62.6 Ų | 62.6 | 50% | 0.497 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.2 | 32.5 | -176.1 | -68.6 | -12.2 | 0 | 0 | 0 | 113.6 | G128 M130 E144 | G128-N142 PolarHBondContact O-ND2 3.25Å; G128-N142 PolarHBondContact O-OD1 2.73Å; M130-N142 PolarHBondContact N-OD1 2.99Å; M130-N142 PolarHBondContact O-N 3.23Å; N142-E144 VanDerWaalsContact C-N 3.29Å; N142-E144 PolarHBondContact O-N 3.2Å |
| 143 | G | 97.8 | Very high | 98.5 | Very high | 54 Ų | 54 | 64.1 Ų | 64.1 | 56% | 0.557 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86.7 | -11.2 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | F140 C141 | F140-G143 WeakPolarHBondContact CD1-O 3.05Å; C141-G143 PolarHBondContact O-N 3.48Å; C141-G143 VanDerWaalsContact O-N 3.16Å |
| 144 | E | 98.6 | Very high | 98.4 | Very high | 138 Ų | 138 | 64.9 Ų | 64.9 | 65% | 0.645 | 37% | 0.368 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 132.7 | 176.5 | -64.4 | -58.3 | 141.9 | 0 | 0 | 110.8 | F140 C141 N142 I146 | F140-E144 CarbonylContact C-O 3.58Å; F140-E144 WeakPolarHBondContact CA-O 3.26Å; C141-E144 PolarHBondContact N-O 3.46Å; C141-E144 PolarHBondContact O-N 3.15Å; N142-E144 VanDerWaalsContact C-N 3.29Å; N142-E144 PolarHBondContact O-N 3.2Å; E144-I146 PolarHBondContact O-N 3.3Å |
| 145 | P | 98.7 | Very high | 98.4 | Very high | 97 Ų | 97 | 66.5 Ų | 66.5 | 63% | 0.63 | 38% | 0.38 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -60.5 | 136.8 | 177.9 | -20 | 29.8 | 0 | 0 | 0 | 112.2 | S139 F140 | S139-P145 WeakPolarHBondContact O-CA 3.45Å; F140-P145 HydrophobicContact CD1-CB 4.3Å; F140-P145 HydrophobicContact CD1-CG 4.11Å; F140-P145 HydrophobicContact CE1-CB 4.29Å; F140-P145 HydrophobicContact CE1-CG 3.93Å |
| 146 | I | 98.8 | Very high | 98.4 | Very high | 28 Ų | 28 | 67 Ų | 67 | 14% | 0.144 | 38% | 0.382 | C | S | . | . | trans | -117.3 | 154.2 | 175.1 | 62.7 | 173.4 | 0 | 0 | 0 | 111.2 | Y131 S139 C141 E144 A204 I227 | Y131-I146 HydrophobicContact CD1-CD1 4.21Å; S139-I146 PolarHBondContact O-N 2.88Å; C141-I146 HydrophobicContact CB-CG2 3.64Å; E144-I146 PolarHBondContact O-N 3.3Å; I146-A204 HydrophobicContact CD1-CB 3.98Å; I146-I227 HydrophobicContact CD1-CG2 4.14Å | ||
| 147 | K | 98.8 | Very high | 98.4 | Very high | 164 Ų | 164 | 64 Ų | 64 | 71% | 0.713 | 35% | 0.352 | S | S | * | . | trans | -147.6 | 150.1 | 177.8 | 65.2 | 177.9 | -175 | 175.1 | 0 | 110.4 | A204 C205 G206 A231 | K147-A204 CarbonylContact C-O 3.59Å; K147-A204 PolarHBondContact N-O 3.33Å; K147-A204 VanDerWaalsContact O-O 3.09Å; K147-C205 CarbonylContact O-C 3.45Å; K147-C205 VanDerWaalsContact O-C 3.26Å; K147-G206 PolarHBondContact O-N 2.77Å; K147-A231 WeakPolarHBondContact CA-O 3.38Å | ||
| 148 | V | 98.9 | Very high | 98.5 | Very high | 18 Ų | 18 | 59.7 Ų | 59.7 | 11% | 0.109 | 33% | 0.334 | C | S | . | . | trans | -64 | 162.9 | 172.5 | -62.4 | 0 | 0 | 0 | 0 | 112.3 | G150 A204 I228 A231 S254 | V148-G150 VanDerWaalsContact C-N 3.34Å; V148-G150 PolarHBondContact O-N 3.33Å; V148-A204 PolarHBondContact N-O 3.18Å; V148-I228 HydrophobicContact CG1-CD1 3.54Å; V148-A231 HydrophobicContact CG1-CB 4.26Å; V148-A231 PolarHBondContact N-O 3.44Å; V148-A231 VanDerWaalsContact N-O 3.15Å; V148-S254 WeakPolarHBondContact CG2-O 3.42Å | ||
| 149 | S | 98.7 | Very high | 98.5 | Very high | 55 Ų | 55 | 58.7 Ų | 58.7 | 39% | 0.385 | 32% | 0.324 | S | S | . | . | trans | -67.4 | -29.7 | -176.9 | 65.1 | 0 | 0 | 0 | 0 | 114.4 | Q151 D209 S254 | S149-Q151 VanDerWaalsContact C-N 3.31Å; S149-Q151 PolarHBondContact OG-N 2.71Å; S149-D209 WeakPolarHBondContact CB-OD1 3.3Å; S149-D209 PolarHBondContact OG-OD1 3.23Å; S149-S254 WeakPolarHBondContact OG-CB 3.17Å; S149-S254 PolarHBondContact OG-OG 2.65Å; S149-S254 VanDerWaalsContact OG-OG 3.1Å | ||
| 150 | G | 98.1 | Very high | 98.5 | Very high | 44 Ų | 44 | 58.7 Ų | 58.7 | 45% | 0.454 | 32% | 0.324 | S | S | . | . | trans | 72.7 | 14.7 | -173 | 0 | 0 | 0 | 0 | 0 | 115.1 | V148 | V148-G150 VanDerWaalsContact C-N 3.34Å; V148-G150 PolarHBondContact O-N 3.33Å | ||
| 151 | Q | 98.5 | Very high | 98.4 | Very high | 55 Ų | 55 | 55.7 Ų | 55.7 | 26% | 0.257 | 31% | 0.311 | S | S | . | . | trans | -61.5 | 139.2 | 175.2 | -178.7 | 59.6 | -89.2 | 0 | 0 | 111.1 | S149 D209 S254 S255 I258 | S149-Q151 VanDerWaalsContact C-N 3.31Å; S149-Q151 PolarHBondContact OG-N 2.71Å; Q151-D209 HydrophobicContact CB-CB 4.49Å; Q151-D209 VanDerWaalsContact CB-OD1 3.31Å; Q151-D209 WeakPolarHBondContact CB-OD1 3.37Å; Q151-S254 PolarHBondContact O-OG 3.39Å; Q151-S255 VanDerWaalsContact O-CB 3.24Å; Q151-S255 WeakPolarHBondContact O-CB 3.36Å; Q151-S255 PolarHBondContact O-OG 3.2Å; Q151-I258 HydrophobicContact CB-CD1 3.91Å; Q151-I258 HydrophobicContact CG-CD1 3.86Å; Q151-I258 WeakPolarHBondContact O-CD1 3.38Å | ||
| 152 | E | 98.4 | Very high | 98.2 | Very high | 125 Ų | 125 | 56 Ų | 56 | 58% | 0.584 | 31% | 0.31 | S | S | * | . | trans | -120.8 | -18 | 178.3 | -62.9 | -171.4 | 158.7 | 0 | 0 | 112.8 | T257 | E152-T257 WeakPolarHBondContact O-CG2 3.24Š| ||
| 153 | D | 98 | Very high | 97.6 | Very high | 51 Ų | 51 | 56.3 Ų | 56.3 | 27% | 0.273 | 31% | 0.31 | S | S | . | . | trans | -92.4 | 107.6 | 177.5 | -175.8 | -10.5 | 0 | 0 | 0 | 110.1 | T155 K156 | D153-T155 VanDerWaalsContact CG-OG1 3.3Å; D153-T155 PolarHBondContact O-N 3.06Å; D153-T155 WeakPolarHBondContact OD1-CB 3.34Å; D153-T155 PolarHBondContact OD1-N 3.34Å; D153-T155 PolarHBondContact OD1-OG1 3.25Å; D153-T155 PolarHBondContact OD2-OG1 3.49Å; D153-K156 HydrophobicContact CB-CB 4.41Å; D153-K156 HydrophobicContact CB-CD 4.29Å; D153-K156 HydrophobicContact CB-CG 4.36Å; D153-K156 PolarHBondContact O-N 2.68Å; D153-K156 WeakPolarHBondContact OD2-CE 3.31Å; D153-K156 IonicContact OD2-NZ 2.72Å; D153-K156 PolarHBondContact OD2-NZ 3.35Å | ||
| 154 | I | 97.6 | Very high | 96.3 | Very high | 15 Ų | 15 | 54.7 Ų | 54.7 | 8% | 0.077 | 29% | 0.293 | C | S | . | . | G | 310 helix | trans | -58.9 | -29.2 | -179.3 | -166.2 | 163.4 | 0 | 0 | 0 | 112.5 | K156 S157 I185 V187 R261 I262 | I154-K156 PolarHBondContact O-N 3.12Å; I154-S157 WeakPolarHBondContact O-CB 3.36Å; I154-S157 PolarHBondContact O-N 3.43Å; I154-S157 VanDerWaalsContact O-N 3.11Å; I154-S157 PolarHBondContact O-OG 3.32Å; I154-I185 HydrophobicContact CB-CG2 4.44Å; I154-I185 HydrophobicContact CD1-CG2 4.13Å; I154-I185 HydrophobicContact CG1-CG2 4.14Å; I154-I185 HydrophobicContact CG2-CG2 3.49Å; I154-I185 VanDerWaalsContact CG2-CG2 3.49Å; I154-V187 HydrophobicContact CG1-CG1 3.96Å; I154-R261 HydrophobicContact CB-CG 4.16Å; I154-R261 HydrophobicContact CD1-CB 4.02Å; I154-R261 HydrophobicContact CD1-CG 3.44Å; I154-R261 VanDerWaalsContact CD1-CG 3.44Å; I154-R261 HydrophobicContact CG1-CG 4.38Å; I154-R261 HydrophobicContact CG2-CG 3.9Å; I154-I262 HydrophobicContact CD1-CG1 3.98Å |
| 155 | T | 97.8 | Very high | 94.6 | Very high | 58 Ų | 58 | 53.8 Ų | 53.8 | 36% | 0.356 | 29% | 0.287 | S | S | . | . | G | 310 helix | trans | -70 | -13.5 | 179.3 | 71.7 | 0 | 0 | 0 | 0 | 112.6 | D153 P186 H188 | D153-T155 VanDerWaalsContact CG-OG1 3.3Å; D153-T155 PolarHBondContact O-N 3.06Å; D153-T155 WeakPolarHBondContact OD1-CB 3.34Å; D153-T155 PolarHBondContact OD1-N 3.34Å; D153-T155 PolarHBondContact OD1-OG1 3.25Å; D153-T155 PolarHBondContact OD2-OG1 3.49Å; T155-P186 CarbonylContact C-O 3.56Å; T155-P186 VanDerWaalsContact CA-O 3.28Å; T155-P186 WeakPolarHBondContact CA-O 3.34Å; T155-H188 PolarHBondContact O-CD2 3.02Å |
| 156 | K | 98.1 | Very high | 93 | Very high | 108 Ų | 108 | 52 Ų | 52 | 47% | 0.47 | 27% | 0.27 | S | S | . | . | G | 310 helix | trans | -108.4 | 12.6 | 176.6 | -61.6 | -178.4 | -176.6 | 116.4 | 0 | 113 | D153 I154 H188 | D153-K156 HydrophobicContact CB-CB 4.41Å; D153-K156 HydrophobicContact CB-CD 4.29Å; D153-K156 HydrophobicContact CB-CG 4.36Å; D153-K156 PolarHBondContact O-N 2.68Å; D153-K156 WeakPolarHBondContact OD2-CE 3.31Å; D153-K156 IonicContact OD2-NZ 2.72Å; D153-K156 PolarHBondContact OD2-NZ 3.35Å; I154-K156 PolarHBondContact O-N 3.12Å; K156-H188 PolarHBondContact O-ND1 3.33Å |
| 157 | S | 98.5 | Very high | 91.6 | Very high | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 30% | 0.296 | C | S | . | . | trans | -95.5 | 150.2 | -173.3 | 72.4 | 0 | 0 | 0 | 0 | 113.3 | I154 H188 D209 | I154-S157 WeakPolarHBondContact O-CB 3.36Å; I154-S157 PolarHBondContact O-N 3.43Å; I154-S157 VanDerWaalsContact O-N 3.11Å; I154-S157 PolarHBondContact O-OG 3.32Å; S157-H188 WeakPolarHBondContact O-CB 3.47Å; S157-H188 PolarHBondContact O-N 3.14Å; S157-D209 VanDerWaalsContact CA-OD2 3.22Å; S157-D209 WeakPolarHBondContact CA-OD2 2.93Å | ||
| 158 | L | 98.9 | Very high | 90.9 | Very high | 40 Ų | 40 | 53.6 Ų | 53.6 | 21% | 0.209 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 119.8 | 163.2 | -176.2 | 69.9 | 0 | 0 | 0 | 109.1 | R191 A208 D209 A210 | L158-R191 HydrophobicContact CD1-CG 4.15Å; L158-R191 HydrophobicContact CD2-CG 4.43Å; L158-A208 HydrophobicContact CD2-CB 4.38Å; L158-D209 PolarHBondContact N-OD2 3.38Å; L158-D209 PolarHBondContact O-N 3.14Å; L158-A210 PolarHBondContact O-N 2.88Å |
| 159 | V | 98.8 | Very high | 90.3 | Very high | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 140.4 | -176.2 | -177.7 | 0 | 0 | 0 | 0 | 110.4 | I182 V187 G189 I190 R191 A210 Y212 I262 | V159-I182 HydrophobicContact CB-CG2 4.26Å; V159-I182 HydrophobicContact CG1-CG2 4.34Å; V159-I182 HydrophobicContact CG2-CG2 4.16Å; V159-V187 HydrophobicContact CG2-CB 4.5Å; V159-V187 HydrophobicContact CG2-CG1 4.03Å; V159-G189 PolarHBondContact N-O 3.16Å; V159-G189 VanDerWaalsContact N-O 3.09Å; V159-I190 HydrophobicContact CB-CG1 4.41Å; V159-I190 CarbonylContact O-C 3.6Å; V159-I190 WeakPolarHBondContact O-CA 3.5Å; V159-R191 PolarHBondContact O-N 3.27Å; V159-A210 CarbonylContact C-O 2.99Å; V159-A210 HydrophobicContact CG1-CB 4.49Å; V159-Y212 HydrophobicContact CG1-CD1 3.87Å; V159-Y212 HydrophobicContact CG1-CE1 3.92Å; V159-I262 HydrophobicContact CG1-CD1 4.42Å; V159-I262 HydrophobicContact CG2-CD1 4.48Å |
| 160 | L | 98.8 | Very high | 89.9 | Confident | 3 Ų | 3 | 60 Ų | 60 | 2% | 0.016 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 145.7 | 171.9 | -50.1 | -177.6 | 0 | 0 | 0 | 109.7 | R191 N199 L202 V203 A208 A210 Y211 Y212 | L160-R191 WeakPolarHBondContact CA-O 3.4Å; L160-R191 HydrophobicContact CD2-CB 3.62Å; L160-R191 HydrophobicContact CD2-CG 4.32Å; L160-N199 HydrophobicContact CB-CB 4.43Å; L160-N199 HydrophobicContact CD1-CB 3.87Å; L160-N199 WeakPolarHBondContact CD1-O 3.43Å; L160-L202 HydrophobicContact CD1-CB 3.95Å; L160-L202 HydrophobicContact CD1-CD1 4.16Å; L160-V203 HydrophobicContact CD1-CG2 4.16Å; L160-A208 HydrophobicContact CD1-CB 3.71Å; L160-A208 HydrophobicContact CD2-CB 3.86Å; L160-A208 HydrophobicContact CG-CB 3.61Å; L160-A210 PolarHBondContact N-O 3.13Å; L160-Y211 HydrophobicContact CB-CD2 3.79Å; L160-Y211 HydrophobicContact CB-CG 4.32Å; L160-Y211 WeakPolarHBondContact O-CA 3.48Å; L160-Y211 WeakPolarHBondContact O-CD2 3.12Å; L160-Y212 PolarHBondContact O-N 3.26Å |
| 161 | T | 97.8 | Very high | 89.5 | Confident | 2 Ų | 2 | 59.3 Ų | 59.3 | 1% | 0.012 | 29% | 0.294 | C | S | . | . | trans | -160.4 | 166.4 | 166.1 | -176.4 | 0 | 0 | 0 | 0 | 107.2 | I179 I190 R191 S192 Y212 | T161-I179 HydrophobicContact CG2-CD1 4.22Å; T161-I179 HydrophobicContact CG2-CG1 4.05Å; T161-I190 HydrophobicContact CG2-CG2 3.74Å; T161-R191 PolarHBondContact N-O 3.49Å; T161-R191 VanDerWaalsContact O-O 3.13Å; T161-S192 WeakPolarHBondContact O-CA 3.4Å; T161-S192 VanDerWaalsContact O-CB 3.24Å; T161-S192 WeakPolarHBondContact O-CB 3.34Å; T161-S192 PolarHBondContact O-OG 3.15Å; T161-Y212 HydrophobicContact CG2-CE1 4.15Å; T161-Y212 PolarHBondContact OG1-O 3.46Å | ||
| 162 | E | 94.8 | Very high | 89.1 | Confident | 27 Ų | 27 | 61.7 Ų | 61.7 | 13% | 0.126 | 30% | 0.304 | C | S | . | . | trans | -115.2 | 155.7 | 172.3 | -61.8 | -59.6 | 149.6 | 0 | 0 | 110.8 | G164 S192 P193 G194 N199 | E162-G164 PolarHBondContact O-N 3.41Å; E162-S192 VanDerWaalsContact OE1-C 3.26Å; E162-S192 WeakPolarHBondContact OE1-CA 3.33Å; E162-S192 WeakPolarHBondContact OE2-CB 3.26Å; E162-P193 WeakPolarHBondContact OE1-CD 3.33Å; E162-P193 VanDerWaalsContact OE1-N 3.13Å; E162-G194 PolarHBondContact OE1-N 3.47Å; E162-G194 VanDerWaalsContact OE2-CA 3.31Å; E162-G194 WeakPolarHBondContact OE2-CA 3.15Å; E162-G194 PolarHBondContact OE2-N 3.07Å; E162-N199 PolarHBondContact OE1-ND2 3.1Å | ||
| 163 | M | 85.8 | Confident | 88.8 | Confident | 101 Ų | 101 | 62 Ų | 62 | 50% | 0.498 | 30% | 0.303 | S | S | . | . | trans | -86.3 | 88.2 | 165 | -61 | 99.6 | 172.5 | 0 | 0 | 107.9 | M175 M176 | M163-M175 HydrophobicContact CB-SD 4.48Å; M163-M176 HydrophobicContact CG-CE 3.92Å | ||
| 164 | G | 70.8 | Confident | 88.6 | Confident | 19 Ų | 19 | 61.4 Ų | 61.4 | 20% | 0.196 | 30% | 0.302 | C | S | . | . | trans | -61.1 | 150.8 | 179 | 0 | 0 | 0 | 0 | 0 | 112.9 | E162 K166 M175 | E162-G164 PolarHBondContact O-N 3.41Å; G164-K166 PolarHBondContact O-N 2.59Å; G164-M175 PolarHBondContact N-SD 2.87Å | ||
| 165 | F | 61.9 | Low | 88.5 | Confident | 120 Ų | 120 | 61.1 Ų | 61.1 | 53% | 0.526 | 30% | 0.3 | S | S | . | . | trans | -80.5 | 107.6 | 178.8 | -52.6 | -74.3 | 0 | 0 | 0 | 110.6 | V40 T96 | V40-F165 HydrophobicContact CB-CD1 3.75Å; V40-F165 HydrophobicContact CB-CE1 4.14Å; V40-F165 HydrophobicContact CB-CG 4.38Å; V40-F165 HydrophobicContact CG2-CB 3.79Å; V40-F165 HydrophobicContact CG2-CD1 3.59Å; V40-F165 HydrophobicContact CG2-CE1 4.46Å; V40-F165 HydrophobicContact CG2-CG 3.89Å; T96-F165 HydrophobicContact CG2-CZ 4.47Å | ||
| 166 | K | 65.4 | Low | 88.3 | Confident | 59 Ų | 59 | 61.1 Ų | 61.1 | 26% | 0.257 | 30% | 0.297 | S | S | . | . | trans | -133.2 | 128.4 | 172.6 | -67.5 | -163.7 | 173.6 | -152 | 0 | 112 | G164 D168 H171 F269 | G164-K166 PolarHBondContact O-N 2.59Å; K166-D168 PolarHBondContact O-N 3.16Å; K166-H171 HydrophobicContact CB-CB 4.32Å; K166-H171 HydrophobicContact CD-CB 3.67Å; K166-F269 HydrophobicContact CD-CE2 4.11Å | ||
| 167 | K | 69.3 | Low | 88.2 | Confident | 163 Ų | 163 | 57.1 Ų | 57.1 | 71% | 0.709 | 29% | 0.286 | S | S | * | . | S | Bend | trans | -65.2 | -15.1 | 170.7 | -64.4 | -178.8 | -174.5 | 170.1 | 0 | 112.6 | S37 P169 | S37-K167 PolarHBondContact O-NZ 2.87Å; K167-P169 WeakPolarHBondContact O-CD 2.98Å |
| 168 | D | 83.6 | Confident | 88.1 | Confident | 63 Ų | 63 | 57.2 Ų | 57.2 | 34% | 0.337 | 29% | 0.287 | S | S | . | . | trans | -88.8 | 111.8 | -178.1 | -172.4 | -27.3 | 0 | 0 | 0 | 111.2 | K166 E170 H171 F172 | K166-D168 PolarHBondContact O-N 3.16Å; D168-E170 VanDerWaalsContact C-N 3.28Å; D168-E170 PolarHBondContact O-N 3.46Å; D168-E170 PolarHBondContact OD1-N 3.16Å; D168-H171 HydrophobicContact CB-CB 4.09Å; D168-H171 WeakPolarHBondContact CB-ND1 3.49Å; D168-H171 PolarHBondContact O-N 3.37Å; D168-H171 PolarHBondContact OD1-N 2.8Å; D168-H171 IonicContact OD2-CD2 3.39Å; D168-H171 IonicContact OD2-CE1 3.58Å; D168-H171 PolarHBondContact OD2-CE1 2.99Å; D168-H171 IonicContact OD2-CG 2.69Å; D168-H171 IonicContact OD2-ND1 3.58Å; D168-H171 PolarHBondContact OD2-ND1 3.04Å; D168-H171 IonicContact OD2-NE2 3.5Å; D168-F172 PolarHBondContact O-N 2.87Å; D168-F172 VanDerWaalsContact O-N 3.16Å | ||
| 169 | P | 87.2 | Confident | 88 | Confident | 96 Ų | 96 | 56.4 Ų | 56.4 | 62% | 0.623 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -61.2 | -30.8 | 179.7 | -23.2 | 35.3 | 0 | 0 | 0 | 114.2 | K167 F172 K173 | K167-P169 WeakPolarHBondContact O-CD 2.98Å; P169-F172 PolarHBondContact O-N 2.93Å; P169-K173 WeakPolarHBondContact O-CB 3.4Å; P169-K173 PolarHBondContact O-N 2.9Å |
| 170 | E | 89.8 | Confident | 87.9 | Confident | 111 Ų | 111 | 62.6 Ų | 62.6 | 52% | 0.519 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -74.8 | -35.1 | -179.4 | -71 | -58.3 | 130.5 | 0 | 0 | 111.5 | D168 K173 T174 | D168-E170 VanDerWaalsContact C-N 3.28Å; D168-E170 PolarHBondContact O-N 3.46Å; D168-E170 PolarHBondContact OD1-N 3.16Å; E170-K173 PolarHBondContact O-N 2.78Å; E170-K173 IonicContact OE2-NZ 2.77Å; E170-T174 WeakPolarHBondContact O-CB 3.48Å; E170-T174 PolarHBondContact O-N 2.89Å; E170-T174 PolarHBondContact O-OG1 2.74Å |
| 171 | H | 90.4 | Very high | 87.8 | Confident | 30 Ų | 30 | 64.7 Ų | 64.7 | 14% | 0.139 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -62.6 | -45.5 | 169.7 | -67.8 | 162.3 | 0 | 0 | 0 | 111.4 | K166 D168 K173 T174 M175 F269 P270 | K166-H171 HydrophobicContact CB-CB 4.32Å; K166-H171 HydrophobicContact CD-CB 3.67Å; D168-H171 HydrophobicContact CB-CB 4.09Å; D168-H171 WeakPolarHBondContact CB-ND1 3.49Å; D168-H171 PolarHBondContact O-N 3.37Å; D168-H171 PolarHBondContact OD1-N 2.8Å; D168-H171 IonicContact OD2-CD2 3.39Å; D168-H171 IonicContact OD2-CE1 3.58Å; D168-H171 PolarHBondContact OD2-CE1 2.99Å; D168-H171 IonicContact OD2-CG 2.69Å; D168-H171 IonicContact OD2-ND1 3.58Å; D168-H171 PolarHBondContact OD2-ND1 3.04Å; D168-H171 IonicContact OD2-NE2 3.5Å; H171-K173 PolarHBondContact O-N 3.43Å; H171-T174 PolarHBondContact O-N 2.85Å; H171-M175 WeakPolarHBondContact O-CB 3.27Å; H171-M175 PolarHBondContact O-N 3.03Å; H171-F269 HydrophobicContact CB-CD2 4.12Å; H171-F269 HydrophobicContact CB-CE2 4.38Å; H171-F269 HydrophobicContact CB-CG 4.46Å; H171-F269 AromaticContact CD2-CD2 3.69Å; H171-F269 AromaticContact CD2-CG 3.88Å; H171-F269 AromaticContact CG-CD2 3.81Å; H171-P270 PolarHBondContact CE1-O 3.49Å; H171-P270 PolarHBondContact NE2-O 3.4Å |
| 172 | F | 89.8 | Confident | 87.8 | Confident | 104 Ų | 104 | 64.6 Ų | 64.6 | 46% | 0.456 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -61.2 | -45 | 177.4 | -175.4 | -99.7 | 0 | 0 | 0 | 111.8 | D168 P169 T174 M175 M176 | D168-F172 PolarHBondContact O-N 2.87Å; D168-F172 VanDerWaalsContact O-N 3.16Å; P169-F172 PolarHBondContact O-N 2.93Å; F172-T174 PolarHBondContact O-N 3.27Å; F172-M175 WeakPolarHBondContact O-CB 3.34Å; F172-M175 PolarHBondContact O-N 2.84Å; F172-M176 HydrophobicContact CD1-CG 4.12Å; F172-M176 HydrophobicContact CE1-CG 3.69Å; F172-M176 HydrophobicContact CE1-SD 4.46Å; F172-M176 HydrophobicContact CE2-CE 3.99Å; F172-M176 HydrophobicContact CE2-CG 4.37Å; F172-M176 HydrophobicContact CE2-SD 4.48Å; F172-M176 HydrophobicContact CZ-CE 4.14Å; F172-M176 HydrophobicContact CZ-CG 3.83Å; F172-M176 HydrophobicContact CZ-SD 4.03Å; F172-M176 WeakPolarHBondContact O-CG 3.34Å; F172-M176 PolarHBondContact O-N 2.84Å |
| 173 | K | 92.6 | Very high | 87.9 | Confident | 131 Ų | 131 | 67.1 Ų | 67.1 | 57% | 0.57 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -59.6 | -43.1 | 175.6 | -178.1 | -178.4 | 174.8 | -170.5 | 0 | 112.4 | P169 E170 H171 M176 G177 | P169-K173 WeakPolarHBondContact O-CB 3.4Å; P169-K173 PolarHBondContact O-N 2.9Å; E170-K173 PolarHBondContact O-N 2.78Å; E170-K173 IonicContact OE2-NZ 2.77Å; H171-K173 PolarHBondContact O-N 3.43Å; K173-M176 PolarHBondContact O-N 2.91Å; K173-G177 PolarHBondContact O-N 2.88Å |
| 174 | T | 93.9 | Very high | 88.3 | Confident | 39 Ų | 39 | 66.9 Ų | 66.9 | 24% | 0.239 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -65.1 | -43 | 177.1 | -55.9 | 0 | 0 | 0 | 0 | 111.3 | E170 H171 F172 G177 N178 K267 F269 | E170-T174 WeakPolarHBondContact O-CB 3.48Å; E170-T174 PolarHBondContact O-N 2.89Å; E170-T174 PolarHBondContact O-OG1 2.74Å; H171-T174 PolarHBondContact O-N 2.85Å; F172-T174 PolarHBondContact O-N 3.27Å; T174-G177 PolarHBondContact O-N 2.67Å; T174-N178 VanDerWaalsContact O-CG 3.28Å; T174-N178 PolarHBondContact O-N 2.82Å; T174-K267 HydrophobicContact CG2-CB 3.96Å; T174-F269 HydrophobicContact CG2-CB 4.38Å; T174-F269 HydrophobicContact CG2-CD1 3.78Å |
| 175 | M | 94.3 | Very high | 89.3 | Confident | 9 Ų | 9 | 67 Ų | 67 | 4% | 0.044 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -60.2 | -47.9 | 175.7 | -176.9 | -170 | -67.2 | 0 | 0 | 112 | M163 G164 H171 F172 G177 N178 I179 F269 | M163-M175 HydrophobicContact CB-SD 4.48Å; G164-M175 PolarHBondContact N-SD 2.87Å; H171-M175 WeakPolarHBondContact O-CB 3.27Å; H171-M175 PolarHBondContact O-N 3.03Å; F172-M175 WeakPolarHBondContact O-CB 3.34Å; F172-M175 PolarHBondContact O-N 2.84Å; M175-G177 VanDerWaalsContact C-N 3.34Å; M175-G177 PolarHBondContact O-N 2.92Å; M175-N178 WeakPolarHBondContact O-CB 3.36Å; M175-N178 PolarHBondContact O-N 2.91Å; M175-I179 PolarHBondContact O-N 2.83Å; M175-F269 HydrophobicContact CB-CE1 4.31Å; M175-F269 HydrophobicContact CE-CZ 4.23Å |
| 176 | M | 94.5 | Very high | 90.4 | Very high | 58 Ų | 58 | 65.4 Ų | 65.4 | 29% | 0.286 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -62.5 | -41 | 176.1 | -69 | -58.1 | 105.7 | 0 | 0 | 111.9 | M163 F172 K173 N178 I179 E180 | M163-M176 HydrophobicContact CG-CE 3.92Å; F172-M176 HydrophobicContact CD1-CG 4.12Å; F172-M176 HydrophobicContact CE1-CG 3.69Å; F172-M176 HydrophobicContact CE1-SD 4.46Å; F172-M176 HydrophobicContact CE2-CE 3.99Å; F172-M176 HydrophobicContact CE2-CG 4.37Å; F172-M176 HydrophobicContact CE2-SD 4.48Å; F172-M176 HydrophobicContact CZ-CE 4.14Å; F172-M176 HydrophobicContact CZ-CG 3.83Å; F172-M176 HydrophobicContact CZ-SD 4.03Å; F172-M176 WeakPolarHBondContact O-CG 3.34Å; F172-M176 PolarHBondContact O-N 2.84Å; K173-M176 PolarHBondContact O-N 2.91Å; M176-N178 VanDerWaalsContact C-N 3.29Å; M176-N178 PolarHBondContact O-N 2.83Å; M176-I179 HydrophobicContact CE-CD1 3.63Å; M176-I179 WeakPolarHBondContact O-CB 3.42Å; M176-I179 PolarHBondContact O-N 3.13Å; M176-I179 HydrophobicContact SD-CD1 4.38Å; M176-E180 PolarHBondContact O-N 3.25Å |
| 177 | G | 96.4 | Very high | 91.9 | Very high | 24 Ų | 24 | 63.2 Ų | 63.2 | 25% | 0.247 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -62.3 | -33.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | K173 T174 M175 T181 | K173-G177 PolarHBondContact O-N 2.88Å; T174-G177 PolarHBondContact O-N 2.67Å; M175-G177 VanDerWaalsContact C-N 3.34Å; M175-G177 PolarHBondContact O-N 2.92Å; G177-T181 WeakPolarHBondContact O-CB 3.41Å; G177-T181 PolarHBondContact O-N 2.84Å; G177-T181 PolarHBondContact O-OG1 3.21Å |
| 178 | N | 96.5 | Very high | 93.3 | Very high | 3 Ų | 3 | 62.1 Ų | 62.1 | 2% | 0.016 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -68.7 | -42.2 | 173.5 | -70.2 | -17.7 | 0 | 0 | 0 | 111.8 | T174 M175 M176 T181 I182 Y212 M214 I266 K267 | T174-N178 VanDerWaalsContact O-CG 3.28Å; T174-N178 PolarHBondContact O-N 2.82Å; M175-N178 WeakPolarHBondContact O-CB 3.36Å; M175-N178 PolarHBondContact O-N 2.91Å; M176-N178 VanDerWaalsContact C-N 3.29Å; M176-N178 PolarHBondContact O-N 2.83Å; N178-T181 WeakPolarHBondContact O-CB 3.49Å; N178-T181 PolarHBondContact O-N 2.82Å; N178-I182 WeakPolarHBondContact O-CG1 3.44Å; N178-I182 PolarHBondContact O-N 2.85Å; N178-Y212 HydrophobicContact CB-CE2 4.49Å; N178-M214 WeakPolarHBondContact ND2-CE 3.4Å; N178-I266 HydrophobicContact CB-CB 4.4Å; N178-I266 HydrophobicContact CB-CG2 4.28Å; N178-K267 PolarHBondContact ND2-O 3.11Å; N178-K267 PolarHBondContact OD1-N 3.26Å |
| 179 | I | 96.4 | Very high | 94 | Very high | 22 Ų | 22 | 59.6 Ų | 59.6 | 11% | 0.113 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -59.9 | -47.2 | 175.1 | -71 | 174.8 | 0 | 0 | 0 | 110.4 | T161 M175 M176 T181 I182 L183 I190 | T161-I179 HydrophobicContact CG2-CD1 4.22Å; T161-I179 HydrophobicContact CG2-CG1 4.05Å; M175-I179 PolarHBondContact O-N 2.83Å; M176-I179 HydrophobicContact CE-CD1 3.63Å; M176-I179 WeakPolarHBondContact O-CB 3.42Å; M176-I179 PolarHBondContact O-N 3.13Å; M176-I179 HydrophobicContact SD-CD1 4.38Å; I179-T181 VanDerWaalsContact C-N 3.33Å; I179-T181 PolarHBondContact O-N 3.02Å; I179-I182 PolarHBondContact O-N 2.92Å; I179-L183 HydrophobicContact CG2-CD1 3.92Å; I179-L183 WeakPolarHBondContact O-CG 3.47Å; I179-L183 PolarHBondContact O-N 3.39Å; I179-I190 HydrophobicContact CB-CD1 4.44Å; I179-I190 HydrophobicContact CG2-CD1 3.9Å |
| 180 | E | 96.9 | Very high | 94.5 | Very high | 130 Ų | 130 | 56.2 Ų | 56.2 | 61% | 0.607 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -58.1 | -45.5 | 174.6 | -177 | -177.2 | 174.8 | 0 | 0 | 111.3 | M176 I182 L183 T184 | M176-E180 PolarHBondContact O-N 3.25Å; E180-I182 VanDerWaalsContact C-N 3.35Å; E180-I182 PolarHBondContact O-N 2.52Å; E180-L183 PolarHBondContact O-N 3.18Å; E180-T184 HydrophobicContact CG-CG2 4.44Å; E180-T184 WeakPolarHBondContact O-CB 3.5Å; E180-T184 VanDerWaalsContact O-CG2 3.27Å; E180-T184 WeakPolarHBondContact O-CG2 3.38Å; E180-T184 PolarHBondContact O-N 2.83Å; E180-T184 PolarHBondContact O-OG1 2.72Å |
| 181 | T | 96.7 | Very high | 94.9 | Very high | 47 Ų | 47 | 57.5 Ų | 57.5 | 29% | 0.288 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -60.2 | -42.9 | 178.3 | -60.5 | 0 | 0 | 0 | 0 | 111.8 | G177 N178 I179 T184 I185 V265 | G177-T181 WeakPolarHBondContact O-CB 3.41Å; G177-T181 PolarHBondContact O-N 2.84Å; G177-T181 PolarHBondContact O-OG1 3.21Å; N178-T181 WeakPolarHBondContact O-CB 3.49Å; N178-T181 PolarHBondContact O-N 2.82Å; I179-T181 VanDerWaalsContact C-N 3.33Å; I179-T181 PolarHBondContact O-N 3.02Å; T181-T184 WeakPolarHBondContact CA-OG1 3.22Å; T181-T184 PolarHBondContact O-N 2.82Å; T181-T184 PolarHBondContact O-OG1 3.38Å; T181-I185 WeakPolarHBondContact O-CD1 3.24Å; T181-I185 WeakPolarHBondContact O-CG1 3.35Å; T181-I185 PolarHBondContact O-N 2.58Å; T181-V265 HydrophobicContact CG2-CB 3.76Å; T181-V265 HydrophobicContact CG2-CG2 4.17Å |
| 182 | I | 96.9 | Very high | 95.2 | Very high | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -67.5 | -45.4 | 177.8 | -67 | -65.9 | 0 | 0 | 0 | 111.3 | V159 N178 I179 E180 T184 I185 V187 I190 Y212 I262 V265 I266 | V159-I182 HydrophobicContact CB-CG2 4.26Å; V159-I182 HydrophobicContact CG1-CG2 4.34Å; V159-I182 HydrophobicContact CG2-CG2 4.16Å; N178-I182 WeakPolarHBondContact O-CG1 3.44Å; N178-I182 PolarHBondContact O-N 2.85Å; I179-I182 PolarHBondContact O-N 2.92Å; E180-I182 VanDerWaalsContact C-N 3.35Å; E180-I182 PolarHBondContact O-N 2.52Å; I182-T184 PolarHBondContact O-N 3.31Å; I182-I185 HydrophobicContact CD1-CD1 4.42Å; I182-I185 PolarHBondContact O-N 3Å; I182-I185 VanDerWaalsContact O-N 3.13Å; I182-V187 HydrophobicContact CG2-CG1 3.89Å; I182-V187 HydrophobicContact CG2-CG2 3.9Å; I182-I190 HydrophobicContact CB-CD1 4.1Å; I182-I190 HydrophobicContact CG2-CD1 3.83Å; I182-I190 HydrophobicContact CG2-CG1 4.18Å; I182-Y212 HydrophobicContact CG1-CE1 4.09Å; I182-I262 HydrophobicContact CD1-CG1 4.14Å; I182-I262 HydrophobicContact CD1-CG2 4.29Å; I182-V265 HydrophobicContact CD1-CG2 3.76Å; I182-I266 HydrophobicContact CD1-CG2 4.05Å; I182-I266 HydrophobicContact CG1-CG2 4.19Å |
| 183 | L | 96.6 | Very high | 95.5 | Very high | 81 Ų | 81 | 53.7 Ų | 53.7 | 42% | 0.424 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -63.4 | -29.2 | 178.7 | -72 | 171 | 0 | 0 | 0 | 112.9 | I179 E180 I185 V187 I190 | I179-L183 HydrophobicContact CG2-CD1 3.92Å; I179-L183 WeakPolarHBondContact O-CG 3.47Å; I179-L183 PolarHBondContact O-N 3.39Å; E180-L183 PolarHBondContact O-N 3.18Å; L183-I185 VanDerWaalsContact C-N 3.35Å; L183-V187 HydrophobicContact CD2-CG2 4.17Å; L183-I190 HydrophobicContact CD1-CD1 4.3Å; L183-I190 HydrophobicContact CD2-CB 4.36Å; L183-I190 HydrophobicContact CD2-CD1 3.95Å; L183-I190 HydrophobicContact CD2-CG1 3.88Å; L183-I190 HydrophobicContact CG-CD1 3.71Å; L183-I190 HydrophobicContact CG-CG1 4.23Å |
| 184 | T | 95.1 | Very high | 95.6 | Very high | 96 Ų | 96 | 48.6 Ų | 48.6 | 59% | 0.589 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.2 | -4.1 | 177.9 | 53.7 | 0 | 0 | 0 | 0 | 114.2 | E180 T181 I182 P186 | E180-T184 HydrophobicContact CG-CG2 4.44Å; E180-T184 WeakPolarHBondContact O-CB 3.5Å; E180-T184 VanDerWaalsContact O-CG2 3.27Å; E180-T184 WeakPolarHBondContact O-CG2 3.38Å; E180-T184 PolarHBondContact O-N 2.83Å; E180-T184 PolarHBondContact O-OG1 2.72Å; T181-T184 WeakPolarHBondContact CA-OG1 3.22Å; T181-T184 PolarHBondContact O-N 2.82Å; T181-T184 PolarHBondContact O-OG1 3.38Å; I182-T184 PolarHBondContact O-N 3.31Å; T184-P186 WeakPolarHBondContact O-CD 3.34Å |
| 185 | I | 90.8 | Very high | 95.8 | Very high | 21 Ų | 21 | 46.8 Ų | 46.8 | 11% | 0.108 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.2 | 24.8 | 166.4 | -64.6 | 162.1 | 0 | 0 | 0 | 111.5 | I154 T181 I182 L183 V187 V265 | I154-I185 HydrophobicContact CB-CG2 4.44Å; I154-I185 HydrophobicContact CD1-CG2 4.13Å; I154-I185 HydrophobicContact CG1-CG2 4.14Å; I154-I185 HydrophobicContact CG2-CG2 3.49Å; I154-I185 VanDerWaalsContact CG2-CG2 3.49Å; T181-I185 WeakPolarHBondContact O-CD1 3.24Å; T181-I185 WeakPolarHBondContact O-CG1 3.35Å; T181-I185 PolarHBondContact O-N 2.58Å; I182-I185 HydrophobicContact CD1-CD1 4.42Å; I182-I185 PolarHBondContact O-N 3Å; I182-I185 VanDerWaalsContact O-N 3.13Å; L183-I185 VanDerWaalsContact C-N 3.35Å; I185-V187 VanDerWaalsContact C-N 3.34Å; I185-V187 PolarHBondContact O-N 3.39Å; I185-V265 HydrophobicContact CD1-CB 3.96Å; I185-V265 HydrophobicContact CD1-CG1 3.8Å; I185-V265 HydrophobicContact CD1-CG2 3.58Å |
| 186 | P | 85.3 | Confident | 96 | Very high | 86 Ų | 86 | 46.6 Ų | 46.6 | 56% | 0.558 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 11.3 | 67.9 | -148.6 | 18.6 | -38.3 | 0 | 0 | 0 | 117.1 | T155 T184 | T155-P186 CarbonylContact C-O 3.56Å; T155-P186 VanDerWaalsContact CA-O 3.28Å; T155-P186 WeakPolarHBondContact CA-O 3.34Å; T184-P186 WeakPolarHBondContact O-CD 3.34Å |
| 187 | V | 97.3 | Very high | 96.1 | Very high | 14 Ų | 14 | 43.9 Ų | 43.9 | 9% | 0.085 | 24% | 0.243 | C | C | . | . | trans | -64.2 | 157.8 | 161.5 | -59.4 | 0 | 0 | 0 | 0 | 110 | I154 V159 I182 L183 I185 G189 | I154-V187 HydrophobicContact CG1-CG1 3.96Å; V159-V187 HydrophobicContact CG2-CB 4.5Å; V159-V187 HydrophobicContact CG2-CG1 4.03Å; I182-V187 HydrophobicContact CG2-CG1 3.89Å; I182-V187 HydrophobicContact CG2-CG2 3.9Å; L183-V187 HydrophobicContact CD2-CG2 4.17Å; I185-V187 VanDerWaalsContact C-N 3.34Å; I185-V187 PolarHBondContact O-N 3.39Å; V187-G189 PolarHBondContact O-N 3.2Å | ||
| 188 | H | 98.4 | Very high | 96.2 | Very high | 140 Ų | 140 | 42.7 Ų | 42.7 | 65% | 0.648 | 23% | 0.231 | S | C | * | . | S | Bend | trans | -64.3 | -23.7 | 174.9 | -72.8 | 168 | 0 | 0 | 0 | 112.8 | T155 K156 S157 | T155-H188 PolarHBondContact O-CD2 3.02Å; K156-H188 PolarHBondContact O-ND1 3.33Å; S157-H188 WeakPolarHBondContact O-CB 3.47Å; S157-H188 PolarHBondContact O-N 3.14Å |
| 189 | G | 97.8 | Very high | 96.3 | Very high | 9 Ų | 9 | 42.6 Ų | 42.6 | 9% | 0.093 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 163.5 | -177.8 | 168 | 0 | 0 | 0 | 0 | 0 | 113.3 | V159 V187 | V159-G189 PolarHBondContact N-O 3.16Å; V159-G189 VanDerWaalsContact N-O 3.09Å; V187-G189 PolarHBondContact O-N 3.2Å |
| 190 | I | 98.3 | Very high | 96.5 | Very high | 26 Ų | 26 | 41.5 Ų | 41.5 | 13% | 0.133 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 147.3 | 172.3 | -67.5 | 176 | 0 | 0 | 0 | 109.9 | V159 T161 I179 I182 L183 | V159-I190 HydrophobicContact CB-CG1 4.41Å; V159-I190 CarbonylContact O-C 3.6Å; V159-I190 WeakPolarHBondContact O-CA 3.5Å; T161-I190 HydrophobicContact CG2-CG2 3.74Å; I179-I190 HydrophobicContact CB-CD1 4.44Å; I179-I190 HydrophobicContact CG2-CD1 3.9Å; I182-I190 HydrophobicContact CB-CD1 4.1Å; I182-I190 HydrophobicContact CG2-CD1 3.83Å; I182-I190 HydrophobicContact CG2-CG1 4.18Å; L183-I190 HydrophobicContact CD1-CD1 4.3Å; L183-I190 HydrophobicContact CD2-CB 4.36Å; L183-I190 HydrophobicContact CD2-CD1 3.95Å; L183-I190 HydrophobicContact CD2-CG1 3.88Å; L183-I190 HydrophobicContact CG-CD1 3.71Å; L183-I190 HydrophobicContact CG-CG1 4.23Å |
| 191 | R | 98.3 | Very high | 96.5 | Very high | 137 Ų | 137 | 35.3 Ų | 35.3 | 52% | 0.517 | 20% | 0.196 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 154.3 | 167.4 | -56.2 | -70.4 | -179.1 | -83.4 | -3 | 110.5 | L158 V159 L160 T161 | L158-R191 HydrophobicContact CD1-CG 4.15Å; L158-R191 HydrophobicContact CD2-CG 4.43Å; V159-R191 PolarHBondContact O-N 3.27Å; L160-R191 WeakPolarHBondContact CA-O 3.4Å; L160-R191 HydrophobicContact CD2-CB 3.62Å; L160-R191 HydrophobicContact CD2-CG 4.32Å; T161-R191 PolarHBondContact N-O 3.49Å; T161-R191 VanDerWaalsContact O-O 3.13Å |
| 192 | S | 97.2 | Very high | 96.6 | Very high | 43 Ų | 43 | 34.6 Ų | 34.6 | 30% | 0.301 | 19% | 0.19 | S | C | . | . | trans | -138.1 | 79.9 | 178.8 | -56.6 | 0 | 0 | 0 | 0 | 110.1 | T161 E162 G194 | T161-S192 WeakPolarHBondContact O-CA 3.4Å; T161-S192 VanDerWaalsContact O-CB 3.24Å; T161-S192 WeakPolarHBondContact O-CB 3.34Å; T161-S192 PolarHBondContact O-OG 3.15Å; E162-S192 VanDerWaalsContact OE1-C 3.26Å; E162-S192 WeakPolarHBondContact OE1-CA 3.33Å; E162-S192 WeakPolarHBondContact OE2-CB 3.26Å; S192-G194 PolarHBondContact O-N 3.34Å | ||
| 193 | P | 95.9 | Very high | 96.7 | Very high | 12 Ų | 12 | 34.6 Ų | 34.6 | 8% | 0.078 | 19% | 0.19 | C | C | . | . | trans | -61.4 | -20.8 | 176.7 | -28.3 | 37.9 | 0 | 0 | 0 | 115.9 | N97 F102 F104 E162 N199 L202 | N97-P193 PolarHBondContact ND2-O 3.26Å; F102-P193 WeakPolarHBondContact CE1-O 3.2Å; F104-P193 HydrophobicContact CB-CB 4.46Å; F104-P193 HydrophobicContact CD2-CB 3.86Å; F104-P193 HydrophobicContact CE2-CB 4.26Å; F104-P193 HydrophobicContact CG-CB 4.1Å; E162-P193 WeakPolarHBondContact OE1-CD 3.33Å; E162-P193 VanDerWaalsContact OE1-N 3.13Å; P193-N199 WeakPolarHBondContact CB-OD1 3.47Å; P193-N199 WeakPolarHBondContact CD-OD1 3.46Å; P193-N199 WeakPolarHBondContact CG-OD1 3.28Å; P193-L202 HydrophobicContact CG-CD1 3.91Å | ||
| 194 | G | 95.1 | Very high | 96.8 | Very high | 24 Ų | 24 | 30.8 Ų | 30.8 | 25% | 0.247 | 17% | 0.17 | C | C | . | . | S | Bend | trans | 89.9 | 12.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 116 | G94 N97 E162 S192 | G94-G194 WeakPolarHBondContact CA-O 3.47Å; N97-G194 PolarHBondContact ND2-O 3.21Å; E162-G194 PolarHBondContact OE1-N 3.47Å; E162-G194 VanDerWaalsContact OE2-CA 3.31Å; E162-G194 WeakPolarHBondContact OE2-CA 3.15Å; E162-G194 PolarHBondContact OE2-N 3.07Å; S192-G194 PolarHBondContact O-N 3.34Å |
| 195 | S | 96.8 | Very high | 97 | Very high | 1 Ų | 1 | 28.4 Ų | 28.4 | 1% | 0.007 | 16% | 0.157 | C | C | . | . | trans | -140.9 | 122.7 | 173.4 | 149.6 | 0 | 0 | 0 | 0 | 109.2 | D93 S106 V198 N199 | D93-S195 VanDerWaalsContact CG-OG 3.31Å; D93-S195 VanDerWaalsContact OD2-C 3.29Å; D93-S195 WeakPolarHBondContact OD2-CA 3.2Å; D93-S195 WeakPolarHBondContact OD2-CB 3.1Å; D93-S195 PolarHBondContact OD2-OG 3.25Å; S106-S195 PolarHBondContact OG-OG 2.91Å; S195-V198 PolarHBondContact O-N 3.2Å; S195-V198 WeakPolarHBondContact OG-CB 3.26Å; S195-V198 VanDerWaalsContact OG-CG2 3.24Å; S195-V198 WeakPolarHBondContact OG-CG2 3.38Å; S195-V198 PolarHBondContact OG-N 3.47Å; S195-V198 VanDerWaalsContact OG-N 3.15Å; S195-N199 PolarHBondContact O-N 2.97Å; S195-N199 PolarHBondContact O-ND2 3.08Å | ||
| 196 | A | 97.9 | Very high | 97.4 | Very high | 5 Ų | 5 | 28.7 Ų | 28.7 | 4% | 0.041 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -65.2 | -43.9 | -176.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | D93 N199 M200 Y211 I216 D220 | D93-A196 PolarHBondContact OD1-N 2.67Å; D93-A196 PolarHBondContact OD2-N 3.06Å; A196-N199 WeakPolarHBondContact O-CB 3.43Å; A196-N199 PolarHBondContact O-N 2.85Å; A196-M200 VanDerWaalsContact O-CG 3.3Å; A196-M200 WeakPolarHBondContact O-CG 3.25Å; A196-M200 PolarHBondContact O-N 3.44Å; A196-Y211 HydrophobicContact CB-CE1 4.44Å; A196-Y211 WeakPolarHBondContact CB-OH 3.29Å; A196-I216 HydrophobicContact CB-CG2 4.11Å; A196-D220 HydrophobicContact CB-CB 3.97Å |
| 197 | A | 98.3 | Very high | 98 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -64.1 | -41.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | D93 V122 M200 C201 | D93-A197 HydrophobicContact CB-CB 4.42Å; D93-A197 WeakPolarHBondContact OD2-CB 3.42Å; D93-A197 PolarHBondContact OD2-N 3.12Å; V122-A197 HydrophobicContact CG1-CB 3.82Å; V122-A197 HydrophobicContact CG2-CB 4.02Å; A197-M200 PolarHBondContact O-N 3.44Å; A197-C201 PolarHBondContact O-N 3.47Å; A197-C201 PolarHBondContact O-SG 3.17Å |
| 198 | V | 98.4 | Very high | 98.1 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -63.4 | -43.5 | 173.3 | 170.3 | 0 | 0 | 0 | 0 | 110.9 | F104 S195 M200 C201 L202 | F104-V198 HydrophobicContact CB-CG1 4.44Å; F104-V198 HydrophobicContact CD1-CG1 3.88Å; F104-V198 HydrophobicContact CG-CG1 4.4Å; S195-V198 PolarHBondContact O-N 3.2Å; S195-V198 WeakPolarHBondContact OG-CB 3.26Å; S195-V198 VanDerWaalsContact OG-CG2 3.24Å; S195-V198 WeakPolarHBondContact OG-CG2 3.38Å; S195-V198 PolarHBondContact OG-N 3.47Å; S195-V198 VanDerWaalsContact OG-N 3.15Å; V198-M200 VanDerWaalsContact C-N 3.27Å; V198-M200 PolarHBondContact O-N 3.18Å; V198-C201 CarbonylContact O-C 3.55Å; V198-C201 WeakPolarHBondContact O-CB 3.38Å; V198-C201 PolarHBondContact O-N 3.41Å; V198-C201 VanDerWaalsContact O-N 3.07Å; V198-L202 HydrophobicContact CG1-CD1 4.02Å; V198-L202 HydrophobicContact CG1-CG 4.16Å; V198-L202 WeakPolarHBondContact O-CG 3.44Å; V198-L202 PolarHBondContact O-N 2.86Å |
| 199 | N | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -57.2 | -43 | 176.3 | -73 | -22.8 | 0 | 0 | 0 | 112.2 | L160 E162 P193 S195 A196 C201 L202 V203 Y211 | L160-N199 HydrophobicContact CB-CB 4.43Å; L160-N199 HydrophobicContact CD1-CB 3.87Å; L160-N199 WeakPolarHBondContact CD1-O 3.43Å; E162-N199 PolarHBondContact OE1-ND2 3.1Å; P193-N199 WeakPolarHBondContact CB-OD1 3.47Å; P193-N199 WeakPolarHBondContact CD-OD1 3.46Å; P193-N199 WeakPolarHBondContact CG-OD1 3.28Å; S195-N199 PolarHBondContact O-N 2.97Å; S195-N199 PolarHBondContact O-ND2 3.08Å; A196-N199 WeakPolarHBondContact O-CB 3.43Å; A196-N199 PolarHBondContact O-N 2.85Å; N199-C201 VanDerWaalsContact C-N 3.33Å; N199-C201 PolarHBondContact O-N 3.5Å; N199-L202 PolarHBondContact O-N 3.49Å; N199-V203 WeakPolarHBondContact O-CG2 3.32Å; N199-V203 PolarHBondContact O-N 2.72Å; N199-V203 VanDerWaalsContact O-N 3.16Å; N199-Y211 HydrophobicContact CB-CD1 4.15Å; N199-Y211 HydrophobicContact CB-CD2 3.77Å; N199-Y211 HydrophobicContact CB-CE1 4.31Å; N199-Y211 HydrophobicContact CB-CE2 3.93Å; N199-Y211 HydrophobicContact CB-CG 3.89Å; N199-Y211 WeakPolarHBondContact ND2-CE2 3.06Å |
| 200 | M | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -62.8 | -40.7 | 175.9 | -63.6 | 176 | 82.5 | 0 | 0 | 112.2 | A196 A197 V198 V203 A204 Y211 A225 I235 L250 I252 | A196-M200 VanDerWaalsContact O-CG 3.3Å; A196-M200 WeakPolarHBondContact O-CG 3.25Å; A196-M200 PolarHBondContact O-N 3.44Å; A197-M200 PolarHBondContact O-N 3.44Å; V198-M200 VanDerWaalsContact C-N 3.27Å; V198-M200 PolarHBondContact O-N 3.18Å; M200-V203 PolarHBondContact O-N 2.78Å; M200-A204 WeakPolarHBondContact O-CB 3.48Å; M200-A204 PolarHBondContact O-N 3.27Å; M200-Y211 HydrophobicContact CG-CD1 3.82Å; M200-Y211 HydrophobicContact CG-CE1 4.06Å; M200-A225 HydrophobicContact CE-CB 4.09Å; M200-I235 HydrophobicContact CE-CD1 4.34Å; M200-L250 HydrophobicContact CE-CD2 3.88Å; M200-L250 HydrophobicContact SD-CD2 4.1Å; M200-I252 HydrophobicContact CB-CD1 3.93Å; M200-I252 HydrophobicContact CE-CG2 4.12Å; M200-I252 HydrophobicContact CG-CD1 3.84Å |
| 201 | C | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -68 | -35.1 | 176.6 | -64.1 | 0 | 0 | 0 | 0 | 112.9 | Y131 A197 V198 N199 A204 C205 | Y131-C201 HydrophobicContact CD1-CB 3.88Å; Y131-C201 HydrophobicContact CD2-CB 3.8Å; Y131-C201 HydrophobicContact CE1-CB 3.89Å; Y131-C201 HydrophobicContact CE2-CB 3.79Å; Y131-C201 HydrophobicContact CG-CB 3.83Å; A197-C201 PolarHBondContact O-N 3.47Å; A197-C201 PolarHBondContact O-SG 3.17Å; V198-C201 CarbonylContact O-C 3.55Å; V198-C201 WeakPolarHBondContact O-CB 3.38Å; V198-C201 PolarHBondContact O-N 3.41Å; V198-C201 VanDerWaalsContact O-N 3.07Å; N199-C201 VanDerWaalsContact C-N 3.33Å; N199-C201 PolarHBondContact O-N 3.5Å; C201-A204 PolarHBondContact O-N 3.01Å; C201-C205 PolarHBondContact O-N 3.08Å; C201-C205 PolarHBondContact O-SG 3.4Å |
| 202 | L | 98.8 | Very high | 98.2 | Very high | 32 Ų | 32 | 13 Ų | 13 | 17% | 0.168 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -64.2 | -41.1 | 175.6 | -72 | 172.6 | 0 | 0 | 0 | 111.5 | L160 P193 V198 N199 C205 G206 A207 A208 | L160-L202 HydrophobicContact CD1-CB 3.95Å; L160-L202 HydrophobicContact CD1-CD1 4.16Å; P193-L202 HydrophobicContact CG-CD1 3.91Å; V198-L202 HydrophobicContact CG1-CD1 4.02Å; V198-L202 HydrophobicContact CG1-CG 4.16Å; V198-L202 WeakPolarHBondContact O-CG 3.44Å; V198-L202 PolarHBondContact O-N 2.86Å; N199-L202 PolarHBondContact O-N 3.49Å; L202-C205 PolarHBondContact O-N 2.95Å; L202-G206 PolarHBondContact O-N 3.17Å; L202-A207 HydrophobicContact CB-CB 4.47Å; L202-A207 HydrophobicContact CD2-CB 4.17Å; L202-A207 WeakPolarHBondContact O-CB 3.18Å; L202-A207 PolarHBondContact O-N 2.84Å; L202-A208 PolarHBondContact O-N 3.04Å |
| 203 | V | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 11.6 Ų | 11.6 | 0% | 0 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -65.7 | -43.7 | 172.9 | -179.8 | 0 | 0 | 0 | 0 | 110.7 | L160 N199 M200 C205 G206 A208 I228 I252 | L160-V203 HydrophobicContact CD1-CG2 4.16Å; N199-V203 WeakPolarHBondContact O-CG2 3.32Å; N199-V203 PolarHBondContact O-N 2.72Å; N199-V203 VanDerWaalsContact O-N 3.16Å; M200-V203 PolarHBondContact O-N 2.78Å; V203-C205 PolarHBondContact O-N 2.95Å; V203-G206 PolarHBondContact O-N 3.47Å; V203-A208 WeakPolarHBondContact CA-O 3.26Å; V203-A208 HydrophobicContact CG2-CB 4.1Å; V203-I228 HydrophobicContact CB-CD1 4.25Å; V203-I228 HydrophobicContact CG1-CD1 3.75Å; V203-I252 HydrophobicContact CB-CD1 3.71Å; V203-I252 HydrophobicContact CG1-CD1 4.02Å; V203-I252 HydrophobicContact CG2-CD1 3.87Å; V203-I252 HydrophobicContact CG2-CG1 4.47Å |
| 204 | A | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 11.4 Ų | 11.4 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -62 | -27.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | I146 K147 V148 M200 C201 G206 I227 I228 A231 | I146-A204 HydrophobicContact CD1-CB 3.98Å; K147-A204 CarbonylContact C-O 3.59Å; K147-A204 PolarHBondContact N-O 3.33Å; K147-A204 VanDerWaalsContact O-O 3.09Å; V148-A204 PolarHBondContact N-O 3.18Å; M200-A204 WeakPolarHBondContact O-CB 3.48Å; M200-A204 PolarHBondContact O-N 3.27Å; C201-A204 PolarHBondContact O-N 3.01Å; A204-G206 VanDerWaalsContact C-N 3.33Å; A204-I227 HydrophobicContact CB-CG2 3.61Å; A204-I228 HydrophobicContact CB-CD1 4.08Å; A204-A231 HydrophobicContact CB-CB 3.81Å |
| 205 | C | 98.6 | Very high | 98 | Very high | 46 Ų | 46 | 10.9 Ų | 10.9 | 31% | 0.311 | 8% | 0.08 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83 | -5.6 | 172.6 | -65.6 | 0 | 0 | 0 | 0 | 114.1 | Y131 K147 C201 L202 V203 A207 | Y131-C205 VanDerWaalsContact CE1-SG 3.55Å; K147-C205 CarbonylContact O-C 3.45Å; K147-C205 VanDerWaalsContact O-C 3.26Å; C201-C205 PolarHBondContact O-N 3.08Å; C201-C205 PolarHBondContact O-SG 3.4Å; L202-C205 PolarHBondContact O-N 2.95Å; V203-C205 PolarHBondContact O-N 2.95Å; C205-A207 PolarHBondContact O-N 2.8Å |
| 206 | G | 98.6 | Very high | 97.9 | Very high | 27 Ų | 27 | 11.3 Ų | 11.3 | 28% | 0.278 | 8% | 0.082 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 70.5 | 15.3 | -172 | 0 | 0 | 0 | 0 | 0 | 114.1 | K147 L202 V203 A204 A208 | K147-G206 PolarHBondContact O-N 2.77Å; L202-G206 PolarHBondContact O-N 3.17Å; V203-G206 PolarHBondContact O-N 3.47Å; A204-G206 VanDerWaalsContact C-N 3.33Å; G206-A208 VanDerWaalsContact C-N 3.31Å |
| 207 | A | 98.5 | Very high | 97.9 | Very high | 61 Ų | 61 | 13.4 Ų | 13.4 | 50% | 0.504 | 9% | 0.091 | S | C | . | . | S | Bend | trans | -77.7 | -20.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | L202 C205 | L202-A207 HydrophobicContact CB-CB 4.47Å; L202-A207 HydrophobicContact CD2-CB 4.17Å; L202-A207 WeakPolarHBondContact O-CB 3.18Å; L202-A207 PolarHBondContact O-N 2.84Å; C205-A207 PolarHBondContact O-N 2.8Å |
| 208 | A | 98.8 | Very high | 97.9 | Very high | 2 Ų | 2 | 13.4 Ų | 13.4 | 2% | 0.017 | 9% | 0.091 | C | C | . | . | S | Bend | trans | -137.9 | 164.2 | 167.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | L158 L160 L202 V203 G206 | L158-A208 HydrophobicContact CD2-CB 4.38Å; L160-A208 HydrophobicContact CD1-CB 3.71Å; L160-A208 HydrophobicContact CD2-CB 3.86Å; L160-A208 HydrophobicContact CG-CB 3.61Å; L202-A208 PolarHBondContact O-N 3.04Å; V203-A208 WeakPolarHBondContact CA-O 3.26Å; V203-A208 HydrophobicContact CG2-CB 4.1Å; G206-A208 VanDerWaalsContact C-N 3.31Å |
| 209 | D | 98.9 | Very high | 97.9 | Very high | 17 Ų | 17 | 14 Ų | 14 | 9% | 0.091 | 9% | 0.093 | C | C | . | . | S | Bend | trans | -101.5 | -24.6 | -173.2 | -61.1 | -64.4 | 0 | 0 | 0 | 113 | S149 Q151 S157 L158 A253 S254 I258 | S149-D209 WeakPolarHBondContact CB-OD1 3.3Å; S149-D209 PolarHBondContact OG-OD1 3.23Å; Q151-D209 HydrophobicContact CB-CB 4.49Å; Q151-D209 VanDerWaalsContact CB-OD1 3.31Å; Q151-D209 WeakPolarHBondContact CB-OD1 3.37Å; S157-D209 VanDerWaalsContact CA-OD2 3.22Å; S157-D209 WeakPolarHBondContact CA-OD2 2.93Å; L158-D209 PolarHBondContact N-OD2 3.38Å; L158-D209 PolarHBondContact O-N 3.14Å; D209-A253 CarbonylContact O-C 3.53Å; D209-A253 VanDerWaalsContact O-CA 3.24Å; D209-A253 WeakPolarHBondContact O-CA 3.39Å; D209-S254 PolarHBondContact O-N 2.92Å; D209-S254 PolarHBondContact O-OG 3.26Å; D209-I258 HydrophobicContact CB-CD1 3.99Å |
| 210 | A | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 14.8 Ų | 14.8 | 0% | 0 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.4 | 157.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | L158 V159 L160 I252 A253 I258 I262 | L158-A210 PolarHBondContact O-N 2.88Å; V159-A210 CarbonylContact C-O 2.99Å; V159-A210 HydrophobicContact CG1-CB 4.49Å; L160-A210 PolarHBondContact N-O 3.13Å; A210-I252 CarbonylContact C-O 3.26Å; A210-I252 VanDerWaalsContact CA-O 3.22Å; A210-I252 WeakPolarHBondContact CA-O 3.41Å; A210-I252 WeakPolarHBondContact CB-O 3.21Å; A210-A253 HydrophobicContact CB-CB 3.94Å; A210-I258 HydrophobicContact CB-CG2 3.78Å; A210-I262 HydrophobicContact CB-CD1 3.42Å; A210-I262 VanDerWaalsContact CB-CD1 3.42Å |
| 211 | Y | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 14.8 Ų | 14.8 | 0% | 0 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 132.5 | 167.2 | 167.8 | -119.3 | 0 | 0 | 0 | 108.4 | L160 A196 N199 M200 H213 I216 L250 I251 I252 | L160-Y211 HydrophobicContact CB-CD2 3.79Å; L160-Y211 HydrophobicContact CB-CG 4.32Å; L160-Y211 WeakPolarHBondContact O-CA 3.48Å; L160-Y211 WeakPolarHBondContact O-CD2 3.12Å; A196-Y211 HydrophobicContact CB-CE1 4.44Å; A196-Y211 WeakPolarHBondContact CB-OH 3.29Å; N199-Y211 HydrophobicContact CB-CD1 4.15Å; N199-Y211 HydrophobicContact CB-CD2 3.77Å; N199-Y211 HydrophobicContact CB-CE1 4.31Å; N199-Y211 HydrophobicContact CB-CE2 3.93Å; N199-Y211 HydrophobicContact CB-CG 3.89Å; N199-Y211 WeakPolarHBondContact ND2-CE2 3.06Å; M200-Y211 HydrophobicContact CG-CD1 3.82Å; M200-Y211 HydrophobicContact CG-CE1 4.06Å; Y211-H213 HydrophobicContact CE1-CB 4.21Å; Y211-H213 HydrophobicContact CE2-CB 4.04Å; Y211-H213 VanDerWaalsContact OH-CB 3.28Å; Y211-H213 WeakPolarHBondContact OH-CB 3.48Å; Y211-I216 HydrophobicContact CE1-CD1 4.5Å; Y211-L250 HydrophobicContact CD1-CD1 3.69Å; Y211-L250 HydrophobicContact CE1-CD1 3.91Å; Y211-I251 CarbonylContact O-C 3.54Å; Y211-I251 WeakPolarHBondContact O-CA 3.05Å; Y211-I252 HydrophobicContact CD1-CD1 4.38Å; Y211-I252 HydrophobicContact CD1-CG1 4.13Å; Y211-I252 HydrophobicContact CG-CG1 4.4Å; Y211-I252 PolarHBondContact N-O 2.65Å; Y211-I252 PolarHBondContact O-N 2.78Å |
| 212 | Y | 98.4 | Very high | 97.8 | Very high | 4 Ų | 4 | 14.8 Ų | 14.8 | 2% | 0.016 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 146 | 170.9 | 74.9 | -86 | 0 | 0 | 0 | 109.9 | V159 L160 T161 N178 I182 L250 I262 I266 | V159-Y212 HydrophobicContact CG1-CD1 3.87Å; V159-Y212 HydrophobicContact CG1-CE1 3.92Å; L160-Y212 PolarHBondContact O-N 3.26Å; T161-Y212 HydrophobicContact CG2-CE1 4.15Å; T161-Y212 PolarHBondContact OG1-O 3.46Å; N178-Y212 HydrophobicContact CB-CE2 4.49Å; I182-Y212 HydrophobicContact CG1-CE1 4.09Å; Y212-L250 WeakPolarHBondContact CA-O 3.38Å; Y212-I262 HydrophobicContact CD1-CG2 4.21Å; Y212-I262 HydrophobicContact CG-CG2 4.27Å; Y212-I266 HydrophobicContact CD2-CD1 4.01Å; Y212-I266 HydrophobicContact CE2-CG2 4.32Å; Y212-I266 HydrophobicContact CG-CD1 4.4Å |
| 213 | H | 96.9 | Very high | 97.8 | Very high | 12 Ų | 12 | 13.2 Ų | 13.2 | 6% | 0.056 | 9% | 0.089 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.1 | 154.2 | 174.4 | -154.4 | -86.3 | 0 | 0 | 0 | 112.5 | Y211 I216 R249 L250 | Y211-H213 HydrophobicContact CE1-CB 4.21Å; Y211-H213 HydrophobicContact CE2-CB 4.04Å; Y211-H213 VanDerWaalsContact OH-CB 3.28Å; Y211-H213 WeakPolarHBondContact OH-CB 3.48Å; H213-I216 HydrophobicContact CB-CD1 4.01Å; H213-I216 HydrophobicContact CB-CG1 4.24Å; H213-I216 HydrophobicContact CB-CG2 4.41Å; H213-I216 VanDerWaalsContact ND1-CG2 3.3Å; H213-I216 WeakPolarHBondContact ND1-CG2 3.22Å; H213-R249 WeakPolarHBondContact O-CA 3.41Å; H213-L250 PolarHBondContact N-O 2.56Å; H213-L250 PolarHBondContact O-N 3.29Å |
| 214 | M | 94.9 | Very high | 97.8 | Very high | 8 Ų | 8 | 13.2 Ų | 13.2 | 4% | 0.039 | 9% | 0.089 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 131.5 | 175.5 | -65.8 | 174.6 | -84.2 | 0 | 0 | 109.5 | N178 I238 R248 R249 F269 V271 | N178-M214 WeakPolarHBondContact ND2-CE 3.4Å; M214-I238 HydrophobicContact CG-CD1 3.78Å; M214-I238 HydrophobicContact CG-CG2 3.97Å; M214-I238 HydrophobicContact SD-CD1 3.4Å; M214-I238 WeakPolarHBondContact SD-CD1 3.5Å; M214-R248 CarbonylContact C-O 3.56Å; M214-R249 HydrophobicContact CB-CG 4.45Å; M214-R249 HydrophobicContact CG-CG 4.18Å; M214-F269 HydrophobicContact CB-CE1 4.18Å; M214-F269 HydrophobicContact CB-CE2 4.03Å; M214-F269 HydrophobicContact CB-CZ 3.67Å; M214-F269 HydrophobicContact CE-CD1 3.9Å; M214-F269 HydrophobicContact CE-CE1 3.38Å; M214-F269 HydrophobicContact CE-CZ 4.08Å; M214-F269 HydrophobicContact SD-CD1 4.01Å; M214-F269 HydrophobicContact SD-CE1 3.85Å; M214-F269 HydrophobicContact SD-CZ 4.27Å; M214-V271 HydrophobicContact CB-CG1 4.08Å |
| 215 | G | 92.6 | Very high | 97.8 | Very high | 14 Ų | 14 | 13.2 Ų | 13.2 | 14% | 0.144 | 9% | 0.089 | C | C | . | . | S | Bend | trans | 87.7 | 19.9 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | R248 | G215-R248 VanDerWaalsContact C-NH2 3.31Å; G215-R248 PolarHBondContact N-O 3.2Å; G215-R248 PolarHBondContact O-NH2 3.38Å |
| 216 | I | 94.6 | Very high | 97.8 | Very high | 10 Ų | 10 | 11.4 Ų | 11.4 | 5% | 0.051 | 8% | 0.077 | C | C | . | . | trans | -83.4 | 168.8 | 159.9 | 47.6 | 173.2 | 0 | 0 | 0 | 109.4 | A196 Y211 H213 D220 M221 R248 L250 | A196-I216 HydrophobicContact CB-CG2 4.11Å; Y211-I216 HydrophobicContact CE1-CD1 4.5Å; H213-I216 HydrophobicContact CB-CD1 4.01Å; H213-I216 HydrophobicContact CB-CG1 4.24Å; H213-I216 HydrophobicContact CB-CG2 4.41Å; H213-I216 VanDerWaalsContact ND1-CG2 3.3Å; H213-I216 WeakPolarHBondContact ND1-CG2 3.22Å; I216-D220 VanDerWaalsContact CA-OD2 3.26Å; I216-D220 WeakPolarHBondContact CA-OD2 3.23Å; I216-D220 HydrophobicContact CB-CB 3.95Å; I216-D220 WeakPolarHBondContact CB-OD2 3.46Å; I216-D220 HydrophobicContact CG2-CB 4.24Å; I216-D220 WeakPolarHBondContact CG2-OD2 3.48Å; I216-M221 HydrophobicContact CD1-CG 3.34Å; I216-M221 HydrophobicContact CD1-SD 3.65Å; I216-M221 HydrophobicContact CG1-CE 4.38Å; I216-M221 HydrophobicContact CG1-CG 3.97Å; I216-M221 HydrophobicContact CG1-SD 3.89Å; I216-R248 PolarHBondContact N-O 2.91Å; I216-R248 WeakPolarHBondContact O-CA 3.25Å; I216-R248 WeakPolarHBondContact O-CB 3.34Å; I216-R248 WeakPolarHBondContact O-CG 3.41Å; I216-R248 PolarHBondContact O-NE 3.19Å; I216-L250 HydrophobicContact CD1-CD2 3.69Å; I216-L250 HydrophobicContact CD1-CG 3.89Å | ||
| 217 | H | 97.3 | Very high | 97.8 | Very high | 49 Ų | 49 | 10.1 Ų | 10.1 | 23% | 0.227 | 6% | 0.064 | C | C | . | . | trans | -111.4 | 168 | -178.7 | -68.9 | -81.3 | 0 | 0 | 0 | 111.3 | W219 D220 M221 R248 D274 | H217-W219 HydrophobicContact CB-CD2 3.65Å; H217-W219 HydrophobicContact CB-CE3 4.09Å; H217-W219 HydrophobicContact CB-CG 4.23Å; H217-W219 HydrophobicContact CB-CH2 3.84Å; H217-W219 HydrophobicContact CB-CZ2 3.36Å; H217-W219 HydrophobicContact CB-CZ3 4.17Å; H217-W219 AromaticContact CD2-CZ2 3.68Å; H217-W219 AromaticContact CG-CE2 3.72Å; H217-W219 AromaticContact CG-CH2 3.78Å; H217-W219 AromaticContact CG-CZ2 3.31Å; H217-W219 AromaticContact ND1-CH2 3.76Å; H217-W219 AromaticContact ND1-CZ2 3.74Å; H217-W219 PolarHBondContact O-N 2.87Å; H217-D220 PolarHBondContact N-OD2 3.46Å; H217-D220 WeakPolarHBondContact O-CB 3.24Å; H217-D220 PolarHBondContact O-N 3.46Å; H217-M221 VanDerWaalsContact O-CE 3.26Å; H217-M221 WeakPolarHBondContact O-CE 3.45Å; H217-M221 WeakPolarHBondContact O-CG 3.25Å; H217-M221 PolarHBondContact O-N 2.95Å; H217-R248 PolarHBondContact CE1-NH2 2.9Å; H217-R248 PolarHBondContact NE2-NH2 2.95Å; H217-D274 WeakPolarHBondContact CA-OD2 3.44Å; H217-D274 IonicContact CE1-OD1 3.14Å; H217-D274 IonicContact CG-OD1 3.46Å; H217-D274 IonicContact ND1-OD1 2.65Å; H217-D274 PolarHBondContact ND1-OD1 3.13Å; H217-D274 IonicContact ND1-OD2 2.74Å | ||
| 218 | C | 98.4 | Very high | 97.8 | Very high | 0 Ų | 0 | 7.2 Ų | 7.2 | 0% | 0 | 4% | 0.04 | C | C | . | . | H | α-helix | trans | -56.8 | -33.4 | -179.1 | 57.7 | 0 | 0 | 0 | 0 | 113.4 | I88 M221 A222 L245 M246 D274 | I88-C218 HydrophobicContact CG2-CB 4.39Å; C218-M221 PolarHBondContact O-N 2.55Å; C218-A222 VanDerWaalsContact O-CB 3.25Å; C218-A222 WeakPolarHBondContact O-CB 3.49Å; C218-A222 PolarHBondContact O-N 2.98Å; C218-L245 HydrophobicContact CB-CD1 4.21Å; C218-L245 HydrophobicContact CB-CG 3.92Å; C218-M246 HydrophobicContact CB-CE 4.29Å; C218-M246 HydrophobicContact CB-SD 3.77Å; C218-D274 PolarHBondContact N-OD2 3.35Å |
| 219 | W | 98.6 | Very high | 97.8 | Very high | 11 Ų | 11 | 11 Ų | 11 | 4% | 0.042 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -69.7 | -37.6 | 177.2 | 49.7 | 82.6 | 0 | 0 | 0 | 113.5 | I68 E70 V73 I88 I89 D90 S108 H217 M221 | I68-W219 HydrophobicContact CG2-CE3 4Å; I68-W219 HydrophobicContact CG2-CZ3 4.25Å; E70-W219 HydrophobicContact CB-CD2 3.98Å; E70-W219 HydrophobicContact CB-CG 4.06Å; E70-W219 HydrophobicContact CB-CZ2 4.21Å; E70-W219 HydrophobicContact CG-CD2 4.46Å; E70-W219 HydrophobicContact CG-CZ2 3.87Å; V73-W219 HydrophobicContact CB-CH2 4.19Å; V73-W219 HydrophobicContact CB-CZ3 4.2Å; V73-W219 HydrophobicContact CG1-CH2 4.02Å; V73-W219 HydrophobicContact CG1-CZ3 4.29Å; V73-W219 HydrophobicContact CG2-CH2 4.48Å; V73-W219 HydrophobicContact CG2-CZ3 3.99Å; I88-W219 HydrophobicContact CG2-CB 4.02Å; I89-W219 WeakPolarHBondContact O-CB 3.42Å; D90-W219 HydrophobicContact CB-CB 4.03Å; D90-W219 HydrophobicContact CB-CG 4.39Å; S108-W219 PolarHBondContact OG-O 3.3Å; S108-W219 VanDerWaalsContact OG-O 3.13Å; H217-W219 HydrophobicContact CB-CD2 3.65Å; H217-W219 HydrophobicContact CB-CE3 4.09Å; H217-W219 HydrophobicContact CB-CG 4.23Å; H217-W219 HydrophobicContact CB-CH2 3.84Å; H217-W219 HydrophobicContact CB-CZ2 3.36Å; H217-W219 HydrophobicContact CB-CZ3 4.17Å; H217-W219 AromaticContact CD2-CZ2 3.68Å; H217-W219 AromaticContact CG-CE2 3.72Å; H217-W219 AromaticContact CG-CH2 3.78Å; H217-W219 AromaticContact CG-CZ2 3.31Å; H217-W219 AromaticContact ND1-CH2 3.76Å; H217-W219 AromaticContact ND1-CZ2 3.74Å; H217-W219 PolarHBondContact O-N 2.87Å; W219-M221 PolarHBondContact O-N 2.65Å |
| 220 | D | 98.3 | Very high | 97.8 | Very high | 17 Ų | 17 | 12.7 Ų | 12.7 | 9% | 0.091 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -59.7 | -32.9 | 171.8 | -52.8 | -20.7 | 0 | 0 | 0 | 111.9 | A196 I216 H217 | A196-D220 HydrophobicContact CB-CB 3.97Å; I216-D220 VanDerWaalsContact CA-OD2 3.26Å; I216-D220 WeakPolarHBondContact CA-OD2 3.23Å; I216-D220 HydrophobicContact CB-CB 3.95Å; I216-D220 WeakPolarHBondContact CB-OD2 3.46Å; I216-D220 HydrophobicContact CG2-CB 4.24Å; I216-D220 WeakPolarHBondContact CG2-OD2 3.48Å; H217-D220 PolarHBondContact N-OD2 3.46Å; H217-D220 WeakPolarHBondContact O-CB 3.24Å; H217-D220 PolarHBondContact O-N 3.46Å |
| 221 | M | 98.5 | Very high | 97.8 | Very high | 0 Ų | 0 | 13 Ų | 13 | 0% | 0 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -96.8 | -35 | -170.2 | -64.6 | -173.9 | -80.8 | 0 | 0 | 113.8 | I216 H217 C218 W219 G223 G224 A225 F243 L245 L250 | I216-M221 HydrophobicContact CD1-CG 3.34Å; I216-M221 HydrophobicContact CD1-SD 3.65Å; I216-M221 HydrophobicContact CG1-CE 4.38Å; I216-M221 HydrophobicContact CG1-CG 3.97Å; I216-M221 HydrophobicContact CG1-SD 3.89Å; H217-M221 VanDerWaalsContact O-CE 3.26Å; H217-M221 WeakPolarHBondContact O-CE 3.45Å; H217-M221 WeakPolarHBondContact O-CG 3.25Å; H217-M221 PolarHBondContact O-N 2.95Å; C218-M221 PolarHBondContact O-N 2.55Å; W219-M221 PolarHBondContact O-N 2.65Å; M221-G223 PolarHBondContact O-N 3.01Å; M221-G224 PolarHBondContact O-N 3.01Å; M221-A225 WeakPolarHBondContact O-CB 3.47Å; M221-A225 PolarHBondContact O-N 2.79Å; M221-F243 HydrophobicContact CB-CZ 4.4Å; M221-F243 HydrophobicContact SD-CE2 3.94Å; M221-F243 HydrophobicContact SD-CZ 4.36Å; M221-L245 HydrophobicContact CB-CD1 3.77Å; M221-L245 WeakPolarHBondContact CE-O 3.09Å; M221-L250 HydrophobicContact CB-CD2 4.27Å; M221-L250 HydrophobicContact CG-CD2 3.56Å; M221-L250 HydrophobicContact SD-CB 4.27Å; M221-L250 HydrophobicContact SD-CD2 3.63Å; M221-L250 HydrophobicContact SD-CG 4.23Å |
| 222 | A | 98.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 15.7 Ų | 15.7 | 0% | 0 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -63.3 | -47.3 | -162.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | I88 I117 C218 A226 L245 | I88-A222 HydrophobicContact CB-CB 3.87Å; I88-A222 HydrophobicContact CD1-CB 3.96Å; I88-A222 HydrophobicContact CG1-CB 4.48Å; I88-A222 HydrophobicContact CG2-CB 3.97Å; I117-A222 HydrophobicContact CD1-CB 4.47Å; C218-A222 VanDerWaalsContact O-CB 3.25Å; C218-A222 WeakPolarHBondContact O-CB 3.49Å; C218-A222 PolarHBondContact O-N 2.98Å; A222-A226 PolarHBondContact O-N 3.26Å; A222-L245 HydrophobicContact CB-CD1 4.2Å; A222-L245 HydrophobicContact CB-CD2 4.41Å |
| 223 | G | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 16.2 Ų | 16.2 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -63.1 | -52.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | S108 M221 A225 A226 I227 | S108-G223 PolarHBondContact OG-N 3.22Å; M221-G223 PolarHBondContact O-N 3.01Å; G223-A225 VanDerWaalsContact C-N 3.29Å; G223-A225 PolarHBondContact O-N 3.38Å; G223-A226 PolarHBondContact O-N 3.35Å; G223-I227 WeakPolarHBondContact O-CG1 3.17Å; G223-I227 PolarHBondContact O-N 3.21Å |
| 224 | G | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -61.4 | -33.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | M221 A226 I227 I228 | M221-G224 PolarHBondContact O-N 3.01Å; G224-A226 PolarHBondContact O-N 2.9Å; G224-I227 PolarHBondContact O-N 3.42Å; G224-I228 WeakPolarHBondContact O-CG2 3.29Å; G224-I228 PolarHBondContact O-N 3.19Å |
| 225 | A | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 17.7 Ų | 17.7 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -66.9 | -35.6 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | I117 M200 M221 G223 I228 R229 I235 F243 | I117-A225 HydrophobicContact CD1-CB 3.69Å; M200-A225 HydrophobicContact CE-CB 4.09Å; M221-A225 WeakPolarHBondContact O-CB 3.47Å; M221-A225 PolarHBondContact O-N 2.79Å; G223-A225 VanDerWaalsContact C-N 3.29Å; G223-A225 PolarHBondContact O-N 3.38Å; A225-I228 WeakPolarHBondContact O-CG2 3.36Å; A225-R229 WeakPolarHBondContact O-CB 3.21Å; A225-R229 WeakPolarHBondContact O-CD 3.11Å; A225-R229 WeakPolarHBondContact O-CG 3.49Å; A225-R229 PolarHBondContact O-N 2.87Å; A225-I235 HydrophobicContact CB-CD1 3.64Å; A225-F243 HydrophobicContact CB-CE1 4.35Å; A225-F243 HydrophobicContact CB-CZ 4.41Å |
| 226 | A | 98.8 | Very high | 98.3 | Very high | 7 Ų | 7 | 17.3 Ų | 17.3 | 6% | 0.058 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -64.5 | -45.4 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111 | I117 G120 A133 A222 G223 G224 R229 E230 | I117-A226 HydrophobicContact CG2-CB 3.77Å; G120-A226 VanDerWaalsContact N-CB 3.27Å; A133-A226 HydrophobicContact CB-CB 4.31Å; A133-A226 WeakPolarHBondContact CB-O 3.49Å; A222-A226 PolarHBondContact O-N 3.26Å; G223-A226 PolarHBondContact O-N 3.35Å; G224-A226 PolarHBondContact O-N 2.9Å; A226-R229 PolarHBondContact O-N 3.28Å; A226-E230 PolarHBondContact O-N 3.49Å |
| 227 | I | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -62.3 | -47.2 | -175.3 | -67.7 | 163.7 | 0 | 0 | 0 | 111.5 | V122 A133 S139 I146 A204 G223 G224 A231 | V122-I227 HydrophobicContact CB-CD1 3.74Å; V122-I227 HydrophobicContact CG2-CD1 3.5Å; V122-I227 VanDerWaalsContact CG2-CD1 3.5Å; A133-I227 HydrophobicContact CB-CB 4.36Å; A133-I227 HydrophobicContact CB-CG1 3.98Å; S139-I227 WeakPolarHBondContact CB-O 3.35Å; S139-I227 WeakPolarHBondContact OG-CG2 3.47Å; S139-I227 PolarHBondContact OG-O 3.14Å; I146-I227 HydrophobicContact CD1-CG2 4.14Å; A204-I227 HydrophobicContact CB-CG2 3.61Å; G223-I227 WeakPolarHBondContact O-CG1 3.17Å; G223-I227 PolarHBondContact O-N 3.21Å; G224-I227 PolarHBondContact O-N 3.42Å; I227-A231 VanDerWaalsContact O-CB 3.28Å; I227-A231 WeakPolarHBondContact O-CB 3.49Å; I227-A231 PolarHBondContact O-N 3.34Å |
| 228 | I | 98.6 | Very high | 98.5 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -68.4 | -39.1 | -178.8 | -170.9 | 61.4 | 0 | 0 | 0 | 112.6 | V148 V203 A204 G224 A225 A231 G232 G233 I235 I252 | V148-I228 HydrophobicContact CG1-CD1 3.54Å; V203-I228 HydrophobicContact CB-CD1 4.25Å; V203-I228 HydrophobicContact CG1-CD1 3.75Å; A204-I228 HydrophobicContact CB-CD1 4.08Å; G224-I228 WeakPolarHBondContact O-CG2 3.29Å; G224-I228 PolarHBondContact O-N 3.19Å; A225-I228 WeakPolarHBondContact O-CG2 3.36Å; I228-A231 PolarHBondContact O-N 3.02Å; I228-G232 PolarHBondContact O-N 2.81Å; I228-G233 WeakPolarHBondContact O-CA 3.25Å; I228-G233 PolarHBondContact O-N 3.32Å; I228-I235 HydrophobicContact CG2-CB 4.43Å; I228-I252 HydrophobicContact CD1-CD1 4.27Å; I228-I252 HydrophobicContact CG1-CB 4.13Å; I228-I252 HydrophobicContact CG1-CD1 4.12Å; I228-I252 HydrophobicContact CG1-CG2 4.3Å; I228-I252 HydrophobicContact CG2-CG2 3.98Å |
| 229 | R | 98.3 | Very high | 98.3 | Very high | 82 Ų | 82 | 19.4 Ų | 19.4 | 31% | 0.309 | 12% | 0.121 | S | C | . | . | H | α-helix | trans | -61.1 | -47.4 | 178.8 | -76.9 | 172.5 | -178.7 | 159.8 | -0.6 | 111.1 | A225 A226 A231 G232 I235 F243 | A225-R229 WeakPolarHBondContact O-CB 3.21Å; A225-R229 WeakPolarHBondContact O-CD 3.11Å; A225-R229 WeakPolarHBondContact O-CG 3.49Å; A225-R229 PolarHBondContact O-N 2.87Å; A226-R229 PolarHBondContact O-N 3.28Å; R229-A231 VanDerWaalsContact C-N 3.32Å; R229-G232 PolarHBondContact O-N 3.45Å; R229-I235 HydrophobicContact CG-CG2 3.96Å; R229-F243 VanDerWaalsContact NH2-CD1 3.26Å |
| 230 | E | 98.8 | Very high | 98.2 | Very high | 53 Ų | 53 | 20.6 Ų | 20.6 | 25% | 0.248 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -76.3 | -20.1 | -179 | -67.6 | -63.6 | 130.7 | 0 | 0 | 113.3 | A133 R134 K135 G136 K137 G138 A226 G232 | A133-E230 HydrophobicContact CB-CB 3.89Å; A133-E230 HydrophobicContact CB-CG 3.98Å; R134-E230 VanDerWaalsContact O-CD 3.31Å; K135-E230 VanDerWaalsContact CA-OE1 3.29Å; K135-E230 WeakPolarHBondContact CA-OE1 3.42Å; G136-E230 WeakPolarHBondContact CA-OE2 3.49Å; G136-E230 PolarHBondContact N-OE1 3.39Å; G136-E230 PolarHBondContact N-OE2 3.13Å; K137-E230 PolarHBondContact N-OE2 3.44Å; G138-E230 VanDerWaalsContact C-CB 3.49Å; G138-E230 PolarHBondContact N-OE2 3.49Å; A226-E230 PolarHBondContact O-N 3.49Å; E230-G232 PolarHBondContact O-N 2.96Å |
| 231 | A | 98.8 | Very high | 98.1 | Very high | 7 Ų | 7 | 20.9 Ų | 20.9 | 6% | 0.058 | 14% | 0.144 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.4 | -0.2 | 171.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | K147 V148 A204 I227 I228 R229 | K147-A231 WeakPolarHBondContact CA-O 3.38Å; V148-A231 HydrophobicContact CG1-CB 4.26Å; V148-A231 PolarHBondContact N-O 3.44Å; V148-A231 VanDerWaalsContact N-O 3.15Å; A204-A231 HydrophobicContact CB-CB 3.81Å; I227-A231 VanDerWaalsContact O-CB 3.28Å; I227-A231 WeakPolarHBondContact O-CB 3.49Å; I227-A231 PolarHBondContact O-N 3.34Å; I228-A231 PolarHBondContact O-N 3.02Å; R229-A231 VanDerWaalsContact C-N 3.32Å |
| 232 | G | 98.6 | Very high | 98.1 | Very high | 56 Ų | 56 | 26.7 Ų | 26.7 | 58% | 0.577 | 18% | 0.182 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 85.6 | 12.9 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | I228 R229 E230 | I228-G232 PolarHBondContact O-N 2.81Å; R229-G232 PolarHBondContact O-N 3.45Å; E230-G232 PolarHBondContact O-N 2.96Å |
| 233 | G | 98.5 | Very high | 98.1 | Very high | 15 Ų | 15 | 28.2 Ų | 28.2 | 16% | 0.155 | 19% | 0.189 | C | C | . | . | trans | -83.2 | 175.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | I228 A253 | I228-G233 WeakPolarHBondContact O-CA 3.25Å; I228-G233 PolarHBondContact O-N 3.32Å; G233-A253 WeakPolarHBondContact CA-O 3.4Å | ||
| 234 | V | 98.4 | Very high | 98.1 | Very high | 25 Ų | 25 | 30.9 Ų | 30.9 | 15% | 0.152 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 143.2 | 175.4 | 178.6 | 0 | 0 | 0 | 0 | 109.3 | I252 A253 R256 A259 | V234-I252 CarbonylContact O-C 3.59Å; V234-I252 WeakPolarHBondContact O-CA 3.43Å; V234-I252 WeakPolarHBondContact O-CB 3.5Å; V234-A253 PolarHBondContact N-O 2.84Å; V234-A253 PolarHBondContact O-N 2.57Å; V234-R256 HydrophobicContact CG2-CB 4.1Å; V234-A259 HydrophobicContact CG1-CB 4.23Å |
| 235 | I | 98.5 | Very high | 98 | Very high | 26 Ų | 26 | 31.5 Ų | 31.5 | 13% | 0.133 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 133.3 | 168.5 | -171.7 | 168.9 | 0 | 0 | 0 | 109.3 | M200 A225 I228 R229 F243 I251 I252 | M200-I235 HydrophobicContact CE-CD1 4.34Å; A225-I235 HydrophobicContact CB-CD1 3.64Å; I228-I235 HydrophobicContact CG2-CB 4.43Å; R229-I235 HydrophobicContact CG-CG2 3.96Å; I235-F243 HydrophobicContact CD1-CB 4.5Å; I235-F243 HydrophobicContact CD1-CD1 3.82Å; I235-F243 HydrophobicContact CD1-CD2 3.67Å; I235-F243 HydrophobicContact CD1-CE1 3.79Å; I235-F243 HydrophobicContact CD1-CE2 3.68Å; I235-F243 HydrophobicContact CD1-CG 3.72Å; I235-F243 HydrophobicContact CD1-CZ 3.71Å; I235-F243 HydrophobicContact CG1-CB 3.93Å; I235-F243 HydrophobicContact CG1-CD1 4.19Å; I235-F243 HydrophobicContact CG1-CD2 3.67Å; I235-F243 HydrophobicContact CG1-CE2 4.18Å; I235-F243 HydrophobicContact CG1-CG 3.65Å; I235-F243 HydrophobicContact CG2-CB 4.28Å; I235-F243 HydrophobicContact CG2-CG 4.46Å; I235-I251 WeakPolarHBondContact CA-O 3.28Å; I235-I252 HydrophobicContact CB-CG2 3.84Å; I235-I252 HydrophobicContact CD1-CG2 3.94Å; I235-I252 HydrophobicContact CG1-CG2 3.61Å |
| 236 | M | 98.3 | Very high | 98 | Very high | 6 Ų | 6 | 31.9 Ų | 31.9 | 3% | 0.03 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.1 | 164.9 | -177.2 | 61.1 | -174.6 | -77.9 | 0 | 0 | 111.4 | G241 L250 I251 A259 | M236-G241 WeakPolarHBondContact CB-O 3.33Å; M236-L250 CarbonylContact O-C 3.48Å; M236-L250 WeakPolarHBondContact O-CA 3.29Å; M236-I251 HydrophobicContact CG-CB 3.83Å; M236-I251 HydrophobicContact CG-CG2 4.35Å; M236-I251 PolarHBondContact N-O 2.84Å; M236-I251 PolarHBondContact O-N 3.48Å; M236-A259 HydrophobicContact CG-CB 4.22Å; M236-A259 HydrophobicContact SD-CB 3.3Å; M236-A259 WeakPolarHBondContact SD-CB 3.46Å |
| 237 | D | 98.2 | Very high | 97.9 | Very high | 4 Ų | 4 | 31.6 Ų | 31.6 | 2% | 0.021 | 21% | 0.206 | C | C | . | . | trans | -76.9 | 154.5 | 169.6 | -178.6 | -89.6 | 0 | 0 | 0 | 110.1 | S239 G240 G241 P242 S247 R249 | D237-S239 PolarHBondContact O-N 3.04Å; D237-S239 WeakPolarHBondContact OD1-CB 3.32Å; D237-S239 PolarHBondContact OD1-N 3.48Å; D237-S239 PolarHBondContact OD1-OG 3.26Å; D237-G240 PolarHBondContact O-N 3.47Å; D237-G240 VanDerWaalsContact O-N 3.09Å; D237-G241 PolarHBondContact N-O 3.08Å; D237-P242 WeakPolarHBondContact CB-O 3.28Å; D237-S247 PolarHBondContact OD2-OG 3.08Å; D237-R249 IonicContact OD1-CZ 2.74Å; D237-R249 IonicContact OD1-NH2 2.67Å; D237-R249 IonicContact OD2-CZ 3.44Å; D237-R249 VanDerWaalsContact OD2-CZ 3.25Å; D237-R249 IonicContact OD2-NE 3.21Å; D237-R249 PolarHBondContact OD2-NE 3.11Å; D237-R249 IonicContact OD2-NH2 2.86Å; D237-R249 PolarHBondContact OD2-NH2 3.34Å | ||
| 238 | I | 96.4 | Very high | 97.8 | Very high | 7 Ų | 7 | 33.9 Ų | 33.9 | 4% | 0.036 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | -22.1 | 178.5 | 62.4 | 165.8 | 0 | 0 | 0 | 113.5 | M214 G240 R249 I251 S263 I266 A268 | M214-I238 HydrophobicContact CG-CD1 3.78Å; M214-I238 HydrophobicContact CG-CG2 3.97Å; M214-I238 HydrophobicContact SD-CD1 3.4Å; M214-I238 WeakPolarHBondContact SD-CD1 3.5Å; I238-G240 PolarHBondContact O-N 3.01Å; I238-R249 HydrophobicContact CD1-CB 4.34Å; I238-R249 HydrophobicContact CD1-CG 4.15Å; I238-R249 HydrophobicContact CG1-CB 4.09Å; I238-R249 HydrophobicContact CG1-CG 4.37Å; I238-R249 HydrophobicContact CG2-CB 4.06Å; I238-I251 HydrophobicContact CG2-CG1 4.11Å; I238-S263 WeakPolarHBondContact O-CB 3.21Å; I238-I266 HydrophobicContact CB-CD1 4.05Å; I238-I266 HydrophobicContact CG2-CD1 3.95Å; I238-A268 HydrophobicContact CD1-CB 3.46Å; I238-A268 VanDerWaalsContact CD1-CB 3.46Å |
| 239 | S | 95.1 | Very high | 97.7 | Very high | 91 Ų | 91 | 37.3 Ų | 37.3 | 64% | 0.636 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.4 | -8.8 | 179.1 | 59.6 | 0 | 0 | 0 | 0 | 114.4 | D237 G241 | D237-S239 PolarHBondContact O-N 3.04Å; D237-S239 WeakPolarHBondContact OD1-CB 3.32Å; D237-S239 PolarHBondContact OD1-N 3.48Å; D237-S239 PolarHBondContact OD1-OG 3.26Å; S239-G241 VanDerWaalsContact C-N 3.34Å; S239-G241 PolarHBondContact OG-N 3.12Å |
| 240 | G | 96.1 | Very high | 97.7 | Very high | 37 Ų | 37 | 33.4 Ų | 33.4 | 38% | 0.381 | 21% | 0.213 | S | C | . | . | S | Bend | trans | 98 | -17.1 | -166.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | D237 I238 | D237-G240 PolarHBondContact O-N 3.47Å; D237-G240 VanDerWaalsContact O-N 3.09Å; I238-G240 PolarHBondContact O-N 3.01Å |
| 241 | G | 97.4 | Very high | 97.7 | Very high | 23 Ų | 23 | 30.9 Ų | 30.9 | 24% | 0.237 | 20% | 0.201 | C | C | . | . | S | Bend | trans | -83.3 | -177.9 | -172.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | M236 D237 S239 | M236-G241 WeakPolarHBondContact CB-O 3.33Å; D237-G241 PolarHBondContact N-O 3.08Å; S239-G241 VanDerWaalsContact C-N 3.34Å; S239-G241 PolarHBondContact OG-N 3.12Å |
| 242 | P | 97.9 | Very high | 97.7 | Very high | 122 Ų | 122 | 30.6 Ų | 30.6 | 79% | 0.792 | 20% | 0.198 | S | C | * | . | B | Isolated β-bridge | trans | -56 | 142.1 | 173.7 | -22 | 33.4 | 0 | 0 | 0 | 111.5 | D237 D244 | D237-P242 WeakPolarHBondContact CB-O 3.28Å; P242-D244 PolarHBondContact O-N 3.06Å |
| 243 | F | 98.4 | Very high | 97.7 | Very high | 31 Ų | 31 | 27.9 Ų | 27.9 | 14% | 0.136 | 17% | 0.171 | C | C | . | . | trans | -62.1 | 133 | 171.8 | 169.3 | -108.5 | 0 | 0 | 0 | 110.9 | M221 A225 R229 I235 L245 L250 | M221-F243 HydrophobicContact CB-CZ 4.4Å; M221-F243 HydrophobicContact SD-CE2 3.94Å; M221-F243 HydrophobicContact SD-CZ 4.36Å; A225-F243 HydrophobicContact CB-CE1 4.35Å; A225-F243 HydrophobicContact CB-CZ 4.41Å; R229-F243 VanDerWaalsContact NH2-CD1 3.26Å; I235-F243 HydrophobicContact CD1-CB 4.5Å; I235-F243 HydrophobicContact CD1-CD1 3.82Å; I235-F243 HydrophobicContact CD1-CD2 3.67Å; I235-F243 HydrophobicContact CD1-CE1 3.79Å; I235-F243 HydrophobicContact CD1-CE2 3.68Å; I235-F243 HydrophobicContact CD1-CG 3.72Å; I235-F243 HydrophobicContact CD1-CZ 3.71Å; I235-F243 HydrophobicContact CG1-CB 3.93Å; I235-F243 HydrophobicContact CG1-CD1 4.19Å; I235-F243 HydrophobicContact CG1-CD2 3.67Å; I235-F243 HydrophobicContact CG1-CE2 4.18Å; I235-F243 HydrophobicContact CG1-CG 3.65Å; I235-F243 HydrophobicContact CG2-CB 4.28Å; I235-F243 HydrophobicContact CG2-CG 4.46Å; F243-L245 HydrophobicContact CE1-CB 3.96Å; F243-L245 HydrophobicContact CE1-CD1 4.15Å; F243-L245 HydrophobicContact CZ-CB 4.01Å; F243-L245 HydrophobicContact CZ-CD1 3.7Å; F243-L245 HydrophobicContact CZ-CG 4.49Å; F243-L250 HydrophobicContact CD2-CB 4.21Å; F243-L250 HydrophobicContact CE2-CB 4.09Å | ||
| 244 | D | 98 | Very high | 97.7 | Very high | 56 Ų | 56 | 27.5 Ų | 27.5 | 30% | 0.299 | 17% | 0.165 | S | C | . | . | trans | -124.2 | 115 | 173.2 | 173.7 | -2.9 | 0 | 0 | 0 | 108.6 | P242 M246 S247 R273 | P242-D244 PolarHBondContact O-N 3.06Å; D244-M246 PolarHBondContact O-N 2.94Å; D244-M246 PolarHBondContact OD1-N 3.43Å; D244-S247 WeakPolarHBondContact O-CB 3.47Å; D244-S247 PolarHBondContact O-N 2.94Å; D244-S247 VanDerWaalsContact O-N 3.12Å; D244-S247 PolarHBondContact O-OG 2.88Å; D244-R273 IonicContact OD1-NH2 3.94Å; D244-R273 PolarHBondContact OD1-NH2 3.25Å; D244-R273 IonicContact OD2-CZ 3.3Å; D244-R273 IonicContact OD2-NH1 3.77Å; D244-R273 PolarHBondContact OD2-NH1 3.41Å; D244-R273 IonicContact OD2-NH2 3.88Å; D244-R273 PolarHBondContact OD2-NH2 2.99Å | ||
| 245 | L | 98.3 | Very high | 97.7 | Very high | 13 Ų | 13 | 26.8 Ų | 26.8 | 7% | 0.068 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -27.6 | -175.7 | -176.7 | 61.1 | 0 | 0 | 0 | 113.1 | L81 I88 I117 C218 M221 A222 F243 | L81-L245 HydrophobicContact CD2-CD2 4.07Å; I88-L245 HydrophobicContact CD1-CD2 3.61Å; I117-L245 HydrophobicContact CD1-CD1 4.36Å; I117-L245 HydrophobicContact CD1-CD2 4.13Å; I117-L245 HydrophobicContact CG1-CD2 4.29Å; C218-L245 HydrophobicContact CB-CD1 4.21Å; C218-L245 HydrophobicContact CB-CG 3.92Å; M221-L245 HydrophobicContact CB-CD1 3.77Å; M221-L245 WeakPolarHBondContact CE-O 3.09Å; A222-L245 HydrophobicContact CB-CD1 4.2Å; A222-L245 HydrophobicContact CB-CD2 4.41Å; F243-L245 HydrophobicContact CE1-CB 3.96Å; F243-L245 HydrophobicContact CE1-CD1 4.15Å; F243-L245 HydrophobicContact CZ-CB 4.01Å; F243-L245 HydrophobicContact CZ-CD1 3.7Å; F243-L245 HydrophobicContact CZ-CG 4.49Å |
| 246 | M | 97.9 | Very high | 97.7 | Very high | 9 Ų | 9 | 32.2 Ų | 32.2 | 4% | 0.044 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.2 | -2.3 | -176.9 | -49.4 | -51 | -72.1 | 0 | 0 | 112.4 | S79 L81 C218 D244 R248 R273 D274 D275 | S79-M246 WeakPolarHBondContact O-CE 3.49Å; L81-M246 HydrophobicContact CB-CE 4.32Å; L81-M246 HydrophobicContact CB-SD 4.01Å; L81-M246 HydrophobicContact CD2-SD 4.26Å; C218-M246 HydrophobicContact CB-CE 4.29Å; C218-M246 HydrophobicContact CB-SD 3.77Å; D244-M246 PolarHBondContact O-N 2.94Å; D244-M246 PolarHBondContact OD1-N 3.43Å; M246-R248 VanDerWaalsContact C-N 3.29Å; M246-R248 PolarHBondContact O-N 2.95Å; M246-R273 WeakPolarHBondContact O-CA 3.39Å; M246-R273 WeakPolarHBondContact O-CB 3.45Å; M246-D274 HydrophobicContact CE-CB 3.58Å; M246-D274 PolarHBondContact O-N 3.26Å; M246-D275 HydrophobicContact CB-CB 4.17Å; M246-D275 WeakPolarHBondContact CB-OD2 3.42Å; M246-D275 HydrophobicContact CE-CB 4.22Å; M246-D275 HydrophobicContact CG-CB 4.36Å |
| 247 | S | 97.1 | Very high | 97.7 | Very high | 1 Ų | 1 | 35.4 Ų | 35.4 | 1% | 0.007 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.9 | -9.2 | -174.3 | 74.2 | 0 | 0 | 0 | 0 | 114.8 | D237 D244 R249 | D237-S247 PolarHBondContact OD2-OG 3.08Å; D244-S247 WeakPolarHBondContact O-CB 3.47Å; D244-S247 PolarHBondContact O-N 2.94Å; D244-S247 VanDerWaalsContact O-N 3.12Å; D244-S247 PolarHBondContact O-OG 2.88Å; S247-R249 WeakPolarHBondContact O-CG 3.36Å; S247-R249 PolarHBondContact O-N 3.47Å; S247-R249 PolarHBondContact O-NE 2.85Å; S247-R249 PolarHBondContact OG-N 2.83Å; S247-R249 PolarHBondContact OG-O 3.26Å |
| 248 | R | 96.7 | Very high | 97.7 | Very high | 47 Ų | 47 | 35.2 Ų | 35.2 | 18% | 0.177 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 63.4 | 20.3 | -175.4 | -61.6 | -164.6 | 58.6 | -177.7 | 5.3 | 115.5 | M214 G215 I216 H217 M246 V271 D274 | M214-R248 CarbonylContact C-O 3.56Å; G215-R248 VanDerWaalsContact C-NH2 3.31Å; G215-R248 PolarHBondContact N-O 3.2Å; G215-R248 PolarHBondContact O-NH2 3.38Å; I216-R248 PolarHBondContact N-O 2.91Å; I216-R248 WeakPolarHBondContact O-CA 3.25Å; I216-R248 WeakPolarHBondContact O-CB 3.34Å; I216-R248 WeakPolarHBondContact O-CG 3.41Å; I216-R248 PolarHBondContact O-NE 3.19Å; H217-R248 PolarHBondContact CE1-NH2 2.9Å; H217-R248 PolarHBondContact NE2-NH2 2.95Å; M246-R248 VanDerWaalsContact C-N 3.29Å; M246-R248 PolarHBondContact O-N 2.95Å; R248-V271 HydrophobicContact CB-CB 4.45Å; R248-V271 HydrophobicContact CB-CG2 3.79Å; R248-V271 PolarHBondContact NH1-O 2.84Å; R248-V271 VanDerWaalsContact NH1-O 3.12Å; R248-D274 WeakPolarHBondContact CD-OD1 3.4Å; R248-D274 WeakPolarHBondContact CG-OD1 3.25Å |
| 249 | R | 97 | Very high | 97.8 | Very high | 73 Ų | 73 | 34.9 Ų | 34.9 | 28% | 0.275 | 20% | 0.197 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 140.9 | -173.5 | -55.4 | 165.4 | -50.3 | -170.3 | 6.2 | 109.6 | H213 M214 D237 I238 S247 V271 | H213-R249 WeakPolarHBondContact O-CA 3.41Å; M214-R249 HydrophobicContact CB-CG 4.45Å; M214-R249 HydrophobicContact CG-CG 4.18Å; D237-R249 IonicContact OD1-CZ 2.74Å; D237-R249 IonicContact OD1-NH2 2.67Å; D237-R249 IonicContact OD2-CZ 3.44Å; D237-R249 VanDerWaalsContact OD2-CZ 3.25Å; D237-R249 IonicContact OD2-NE 3.21Å; D237-R249 PolarHBondContact OD2-NE 3.11Å; D237-R249 IonicContact OD2-NH2 2.86Å; D237-R249 PolarHBondContact OD2-NH2 3.34Å; I238-R249 HydrophobicContact CD1-CB 4.34Å; I238-R249 HydrophobicContact CD1-CG 4.15Å; I238-R249 HydrophobicContact CG1-CB 4.09Å; I238-R249 HydrophobicContact CG1-CG 4.37Å; I238-R249 HydrophobicContact CG2-CB 4.06Å; S247-R249 WeakPolarHBondContact O-CG 3.36Å; S247-R249 PolarHBondContact O-N 3.47Å; S247-R249 PolarHBondContact O-NE 2.85Å; S247-R249 PolarHBondContact OG-N 2.83Å; S247-R249 PolarHBondContact OG-O 3.26Å; R249-V271 HydrophobicContact CG-CG2 3.76Å |
| 250 | L | 98 | Very high | 98 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.1 | 158.5 | 169.2 | 68.5 | 77.6 | 0 | 0 | 0 | 112.4 | M200 Y211 Y212 H213 I216 M221 M236 F243 I252 | M200-L250 HydrophobicContact CE-CD2 3.88Å; M200-L250 HydrophobicContact SD-CD2 4.1Å; Y211-L250 HydrophobicContact CD1-CD1 3.69Å; Y211-L250 HydrophobicContact CE1-CD1 3.91Å; Y212-L250 WeakPolarHBondContact CA-O 3.38Å; H213-L250 PolarHBondContact N-O 2.56Å; H213-L250 PolarHBondContact O-N 3.29Å; I216-L250 HydrophobicContact CD1-CD2 3.69Å; I216-L250 HydrophobicContact CD1-CG 3.89Å; M221-L250 HydrophobicContact CB-CD2 4.27Å; M221-L250 HydrophobicContact CG-CD2 3.56Å; M221-L250 HydrophobicContact SD-CB 4.27Å; M221-L250 HydrophobicContact SD-CD2 3.63Å; M221-L250 HydrophobicContact SD-CG 4.23Å; M236-L250 CarbonylContact O-C 3.48Å; M236-L250 WeakPolarHBondContact O-CA 3.29Å; F243-L250 HydrophobicContact CD2-CB 4.21Å; F243-L250 HydrophobicContact CE2-CB 4.09Å; L250-I252 HydrophobicContact CD1-CG1 4.31Å; L250-I252 HydrophobicContact CD1-CG2 4.11Å |
| 251 | I | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 130.9 | 152.4 | -61 | 167.5 | 0 | 0 | 0 | 105.9 | Y211 I235 M236 I238 A259 I262 I266 | Y211-I251 CarbonylContact O-C 3.54Å; Y211-I251 WeakPolarHBondContact O-CA 3.05Å; I235-I251 WeakPolarHBondContact CA-O 3.28Å; M236-I251 HydrophobicContact CG-CB 3.83Å; M236-I251 HydrophobicContact CG-CG2 4.35Å; M236-I251 PolarHBondContact N-O 2.84Å; M236-I251 PolarHBondContact O-N 3.48Å; I238-I251 HydrophobicContact CG2-CG1 4.11Å; I251-A259 HydrophobicContact CG2-CB 3.98Å; I251-I262 HydrophobicContact CD1-CB 4.34Å; I251-I262 HydrophobicContact CD1-CG2 3.88Å; I251-I262 HydrophobicContact CG1-CG2 4.22Å; I251-I262 HydrophobicContact CG2-CB 4.49Å; I251-I262 HydrophobicContact CG2-CG2 4.4Å; I251-I266 HydrophobicContact CD1-CD1 4.01Å; I251-I266 HydrophobicContact CG1-CD1 4.3Å |
| 252 | I | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 149.9 | 160.5 | 60.5 | 155.8 | 0 | 0 | 0 | 109.9 | M200 V203 A210 Y211 I228 V234 I235 L250 | M200-I252 HydrophobicContact CB-CD1 3.93Å; M200-I252 HydrophobicContact CE-CG2 4.12Å; M200-I252 HydrophobicContact CG-CD1 3.84Å; V203-I252 HydrophobicContact CB-CD1 3.71Å; V203-I252 HydrophobicContact CG1-CD1 4.02Å; V203-I252 HydrophobicContact CG2-CD1 3.87Å; V203-I252 HydrophobicContact CG2-CG1 4.47Å; A210-I252 CarbonylContact C-O 3.26Å; A210-I252 VanDerWaalsContact CA-O 3.22Å; A210-I252 WeakPolarHBondContact CA-O 3.41Å; A210-I252 WeakPolarHBondContact CB-O 3.21Å; Y211-I252 HydrophobicContact CD1-CD1 4.38Å; Y211-I252 HydrophobicContact CD1-CG1 4.13Å; Y211-I252 HydrophobicContact CG-CG1 4.4Å; Y211-I252 PolarHBondContact N-O 2.65Å; Y211-I252 PolarHBondContact O-N 2.78Å; I228-I252 HydrophobicContact CD1-CD1 4.27Å; I228-I252 HydrophobicContact CG1-CB 4.13Å; I228-I252 HydrophobicContact CG1-CD1 4.12Å; I228-I252 HydrophobicContact CG1-CG2 4.3Å; I228-I252 HydrophobicContact CG2-CG2 3.98Å; V234-I252 CarbonylContact O-C 3.59Å; V234-I252 WeakPolarHBondContact O-CA 3.43Å; V234-I252 WeakPolarHBondContact O-CB 3.5Å; I235-I252 HydrophobicContact CB-CG2 3.84Å; I235-I252 HydrophobicContact CD1-CG2 3.94Å; I235-I252 HydrophobicContact CG1-CG2 3.61Å; L250-I252 HydrophobicContact CD1-CG1 4.31Å; L250-I252 HydrophobicContact CD1-CG2 4.11Å |
| 253 | A | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.7 | 164.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | D209 A210 G233 V234 S255 I258 A259 | D209-A253 CarbonylContact O-C 3.53Å; D209-A253 VanDerWaalsContact O-CA 3.24Å; D209-A253 WeakPolarHBondContact O-CA 3.39Å; A210-A253 HydrophobicContact CB-CB 3.94Å; G233-A253 WeakPolarHBondContact CA-O 3.4Å; V234-A253 PolarHBondContact N-O 2.84Å; V234-A253 PolarHBondContact O-N 2.57Å; A253-S255 WeakPolarHBondContact CB-O 3.27Å; A253-S255 PolarHBondContact O-N 3.05Å; A253-I258 HydrophobicContact CB-CB 4.09Å; A253-I258 HydrophobicContact CB-CG2 3.93Å; A253-A259 HydrophobicContact CB-CB 3.78Å |
| 254 | S | 98.4 | Very high | 98.1 | Very high | 6 Ų | 6 | 36.2 Ų | 36.2 | 4% | 0.042 | 17% | 0.165 | C | C | . | . | S | Bend | trans | -70.3 | -20.8 | 173.1 | 63.8 | 0 | 0 | 0 | 0 | 113.4 | V148 S149 Q151 D209 | V148-S254 WeakPolarHBondContact CG2-O 3.42Å; S149-S254 WeakPolarHBondContact OG-CB 3.17Å; S149-S254 PolarHBondContact OG-OG 2.65Å; S149-S254 VanDerWaalsContact OG-OG 3.1Å; Q151-S254 PolarHBondContact O-OG 3.39Å; D209-S254 PolarHBondContact O-N 2.92Å; D209-S254 PolarHBondContact O-OG 3.26Å |
| 255 | S | 98.4 | Very high | 98 | Very high | 10 Ų | 10 | 35 Ų | 35 | 7% | 0.07 | 16% | 0.159 | C | C | . | . | S | Bend | trans | -145.4 | 156.3 | 174.8 | 70.5 | 0 | 0 | 0 | 0 | 112.2 | Q151 A253 T257 I258 A259 | Q151-S255 VanDerWaalsContact O-CB 3.24Å; Q151-S255 WeakPolarHBondContact O-CB 3.36Å; Q151-S255 PolarHBondContact O-OG 3.2Å; A253-S255 WeakPolarHBondContact CB-O 3.27Å; A253-S255 PolarHBondContact O-N 3.05Å; S255-T257 VanDerWaalsContact C-N 3.28Å; S255-T257 PolarHBondContact O-N 3.38Å; S255-I258 PolarHBondContact O-N 3.43Å; S255-I258 PolarHBondContact OG-N 2.9Å; S255-A259 PolarHBondContact O-N 3.44Å |
| 256 | R | 98.2 | Very high | 97.9 | Very high | 141 Ų | 141 | 35 Ų | 35 | 53% | 0.532 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -61.2 | -38.6 | 175 | 176.4 | 168.7 | -74.1 | -77.3 | -2.7 | 111.8 | V234 I258 A259 E260 | V234-R256 HydrophobicContact CG2-CB 4.1Å; R256-I258 PolarHBondContact O-N 3.25Å; R256-A259 PolarHBondContact O-N 3.23Å; R256-E260 WeakPolarHBondContact CD-OE1 3.43Å; R256-E260 VanDerWaalsContact CG-CD 3.47Å; R256-E260 HydrophobicContact CG-CG 4.08Å; R256-E260 WeakPolarHBondContact CG-OE1 3.49Å; R256-E260 IonicContact CZ-OE1 3.93Å; R256-E260 IonicContact NH1-OE1 3.01Å; R256-E260 PolarHBondContact NH1-OE1 2.83Å; R256-E260 WeakPolarHBondContact O-CB 3.31Å; R256-E260 WeakPolarHBondContact O-CG 3.37Å; R256-E260 PolarHBondContact O-N 2.99Å |
| 257 | T | 98.3 | Very high | 97.8 | Very high | 73 Ų | 73 | 41.7 Ų | 41.7 | 45% | 0.448 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -57.3 | -46.8 | 179 | -52.9 | 0 | 0 | 0 | 0 | 111.9 | E152 S255 R261 | E152-T257 WeakPolarHBondContact O-CG2 3.24Å; S255-T257 VanDerWaalsContact C-N 3.28Å; S255-T257 PolarHBondContact O-N 3.38Å; T257-R261 VanDerWaalsContact O-CB 3.27Å; T257-R261 WeakPolarHBondContact O-CB 3.36Å; T257-R261 PolarHBondContact O-N 3.25Å |
| 258 | I | 98.4 | Very high | 97.7 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -65.7 | -46.1 | 176.3 | -69.1 | -178.8 | 0 | 0 | 0 | 110.8 | Q151 D209 A210 A253 S255 R256 E260 R261 I262 | Q151-I258 HydrophobicContact CB-CD1 3.91Å; Q151-I258 HydrophobicContact CG-CD1 3.86Å; Q151-I258 WeakPolarHBondContact O-CD1 3.38Å; D209-I258 HydrophobicContact CB-CD1 3.99Å; A210-I258 HydrophobicContact CB-CG2 3.78Å; A253-I258 HydrophobicContact CB-CB 4.09Å; A253-I258 HydrophobicContact CB-CG2 3.93Å; S255-I258 PolarHBondContact O-N 3.43Å; S255-I258 PolarHBondContact OG-N 2.9Å; R256-I258 PolarHBondContact O-N 3.25Å; I258-E260 PolarHBondContact O-N 2.89Å; I258-R261 PolarHBondContact O-N 2.68Å; I258-I262 HydrophobicContact CG2-CD1 3.79Å; I258-I262 HydrophobicContact CG2-CG1 4.39Å; I258-I262 WeakPolarHBondContact O-CG1 3.35Å; I258-I262 PolarHBondContact O-N 2.99Å |
| 259 | A | 98.5 | Very high | 97.4 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -60.1 | -46.9 | -176.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | V234 M236 I251 A253 S255 R256 R261 I262 S263 | V234-A259 HydrophobicContact CG1-CB 4.23Å; M236-A259 HydrophobicContact CG-CB 4.22Å; M236-A259 HydrophobicContact SD-CB 3.3Å; M236-A259 WeakPolarHBondContact SD-CB 3.46Å; I251-A259 HydrophobicContact CG2-CB 3.98Å; A253-A259 HydrophobicContact CB-CB 3.78Å; S255-A259 PolarHBondContact O-N 3.44Å; R256-A259 PolarHBondContact O-N 3.23Å; A259-R261 VanDerWaalsContact C-N 3.35Å; A259-R261 PolarHBondContact O-N 3.03Å; A259-I262 PolarHBondContact O-N 3.21Å; A259-S263 PolarHBondContact O-N 3.44Å |
| 260 | E | 98.3 | Very high | 97.1 | Very high | 74 Ų | 74 | 44.6 Ų | 44.6 | 35% | 0.346 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -67 | -35.9 | 177.6 | -71.4 | 174.6 | -177.5 | 0 | 0 | 112 | R256 I258 I262 S263 Q264 | R256-E260 WeakPolarHBondContact CD-OE1 3.43Å; R256-E260 VanDerWaalsContact CG-CD 3.47Å; R256-E260 HydrophobicContact CG-CG 4.08Å; R256-E260 WeakPolarHBondContact CG-OE1 3.49Å; R256-E260 IonicContact CZ-OE1 3.93Å; R256-E260 IonicContact NH1-OE1 3.01Å; R256-E260 PolarHBondContact NH1-OE1 2.83Å; R256-E260 WeakPolarHBondContact O-CB 3.31Å; R256-E260 WeakPolarHBondContact O-CG 3.37Å; R256-E260 PolarHBondContact O-N 2.99Å; I258-E260 PolarHBondContact O-N 2.89Å; E260-I262 VanDerWaalsContact C-N 3.35Å; E260-S263 WeakPolarHBondContact CA-OG 3.44Å; E260-S263 PolarHBondContact O-N 3.31Å; E260-S263 PolarHBondContact O-OG 3.2Å; E260-Q264 VanDerWaalsContact O-CG 3.23Å; E260-Q264 WeakPolarHBondContact O-CG 3.35Å; E260-Q264 PolarHBondContact O-N 3.49Å; E260-Q264 VanDerWaalsContact O-N 3.12Å |
| 261 | R | 98.1 | Very high | 96.8 | Very high | 100 Ų | 100 | 45.3 Ų | 45.3 | 38% | 0.377 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -65.1 | -40.5 | 175.6 | -178.4 | 58.7 | -179 | 160.7 | 2.5 | 111.7 | I154 T257 I258 A259 V265 | I154-R261 HydrophobicContact CB-CG 4.16Å; I154-R261 HydrophobicContact CD1-CB 4.02Å; I154-R261 HydrophobicContact CD1-CG 3.44Å; I154-R261 VanDerWaalsContact CD1-CG 3.44Å; I154-R261 HydrophobicContact CG1-CG 4.38Å; I154-R261 HydrophobicContact CG2-CG 3.9Å; T257-R261 VanDerWaalsContact O-CB 3.27Å; T257-R261 WeakPolarHBondContact O-CB 3.36Å; T257-R261 PolarHBondContact O-N 3.25Å; I258-R261 PolarHBondContact O-N 2.68Å; A259-R261 VanDerWaalsContact C-N 3.35Å; A259-R261 PolarHBondContact O-N 3.03Å; R261-V265 WeakPolarHBondContact O-CG2 3.4Å |
| 262 | I | 98.2 | Very high | 96.4 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -64.3 | -46.9 | 174.7 | -68.5 | 171.6 | 0 | 0 | 0 | 110.2 | I154 V159 I182 A210 Y212 I251 I258 A259 E260 Q264 V265 I266 | I154-I262 HydrophobicContact CD1-CG1 3.98Å; V159-I262 HydrophobicContact CG1-CD1 4.42Å; V159-I262 HydrophobicContact CG2-CD1 4.48Å; I182-I262 HydrophobicContact CD1-CG1 4.14Å; I182-I262 HydrophobicContact CD1-CG2 4.29Å; A210-I262 HydrophobicContact CB-CD1 3.42Å; A210-I262 VanDerWaalsContact CB-CD1 3.42Å; Y212-I262 HydrophobicContact CD1-CG2 4.21Å; Y212-I262 HydrophobicContact CG-CG2 4.27Å; I251-I262 HydrophobicContact CD1-CB 4.34Å; I251-I262 HydrophobicContact CD1-CG2 3.88Å; I251-I262 HydrophobicContact CG1-CG2 4.22Å; I251-I262 HydrophobicContact CG2-CB 4.49Å; I251-I262 HydrophobicContact CG2-CG2 4.4Å; I258-I262 HydrophobicContact CG2-CD1 3.79Å; I258-I262 HydrophobicContact CG2-CG1 4.39Å; I258-I262 WeakPolarHBondContact O-CG1 3.35Å; I258-I262 PolarHBondContact O-N 2.99Å; A259-I262 PolarHBondContact O-N 3.21Å; E260-I262 VanDerWaalsContact C-N 3.35Å; I262-Q264 PolarHBondContact O-N 3.2Å; I262-V265 VanDerWaalsContact O-CG2 3.27Å; I262-V265 WeakPolarHBondContact O-CG2 3.2Å; I262-V265 PolarHBondContact O-N 3Å; I262-V265 VanDerWaalsContact O-N 3.12Å; I262-I266 HydrophobicContact CG2-CD1 4.07Å; I262-I266 HydrophobicContact CG2-CG2 3.98Å; I262-I266 WeakPolarHBondContact O-CG1 3.3Å; I262-I266 PolarHBondContact O-N 3.41Å; I262-I266 VanDerWaalsContact O-N 3.1Å |
| 263 | S | 98.1 | Very high | 96.3 | Very high | 20 Ų | 20 | 51.4 Ų | 51.4 | 14% | 0.14 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -61.2 | -30.6 | -178.6 | 70.1 | 0 | 0 | 0 | 0 | 113.4 | I238 A259 E260 V265 | I238-S263 WeakPolarHBondContact O-CB 3.21Å; A259-S263 PolarHBondContact O-N 3.44Å; E260-S263 WeakPolarHBondContact CA-OG 3.44Å; E260-S263 PolarHBondContact O-N 3.31Å; E260-S263 PolarHBondContact O-OG 3.2Å; S263-V265 VanDerWaalsContact C-N 3.31Å; S263-V265 PolarHBondContact O-N 2.87Å |
| 264 | Q | 97.6 | Very high | 96.1 | Very high | 138 Ų | 138 | 52 Ų | 52 | 65% | 0.645 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -71.6 | -22.4 | 179 | -75.1 | 168.8 | 7.3 | 0 | 0 | 114.2 | E260 I262 | E260-Q264 VanDerWaalsContact O-CG 3.23Å; E260-Q264 WeakPolarHBondContact O-CG 3.35Å; E260-Q264 PolarHBondContact O-N 3.49Å; E260-Q264 VanDerWaalsContact O-N 3.12Å; I262-Q264 PolarHBondContact O-N 3.2Å |
| 265 | V | 96.9 | Very high | 95.8 | Very high | 29 Ų | 29 | 54.4 Ų | 54.4 | 18% | 0.176 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -112.3 | -27.9 | -169.5 | -59.2 | 0 | 0 | 0 | 0 | 112.9 | T181 I182 I185 R261 I262 S263 | T181-V265 HydrophobicContact CG2-CB 3.76Å; T181-V265 HydrophobicContact CG2-CG2 4.17Å; I182-V265 HydrophobicContact CD1-CG2 3.76Å; I185-V265 HydrophobicContact CD1-CB 3.96Å; I185-V265 HydrophobicContact CD1-CG1 3.8Å; I185-V265 HydrophobicContact CD1-CG2 3.58Å; R261-V265 WeakPolarHBondContact O-CG2 3.4Å; I262-V265 VanDerWaalsContact O-CG2 3.27Å; I262-V265 WeakPolarHBondContact O-CG2 3.2Å; I262-V265 PolarHBondContact O-N 3Å; I262-V265 VanDerWaalsContact O-N 3.12Å; S263-V265 VanDerWaalsContact C-N 3.31Å; S263-V265 PolarHBondContact O-N 2.87Å |
| 266 | I | 96.4 | Very high | 95.1 | Very high | 15 Ų | 15 | 59.1 Ų | 59.1 | 8% | 0.077 | 31% | 0.309 | C | S | . | . | P | Polyproline II helix | trans | -78.6 | 145.4 | 176.9 | 69.4 | 175.7 | 0 | 0 | 0 | 111 | N178 I182 Y212 I238 I251 I262 | N178-I266 HydrophobicContact CB-CB 4.4Å; N178-I266 HydrophobicContact CB-CG2 4.28Å; I182-I266 HydrophobicContact CD1-CG2 4.05Å; I182-I266 HydrophobicContact CG1-CG2 4.19Å; Y212-I266 HydrophobicContact CD2-CD1 4.01Å; Y212-I266 HydrophobicContact CE2-CG2 4.32Å; Y212-I266 HydrophobicContact CG-CD1 4.4Å; I238-I266 HydrophobicContact CB-CD1 4.05Å; I238-I266 HydrophobicContact CG2-CD1 3.95Å; I251-I266 HydrophobicContact CD1-CD1 4.01Å; I251-I266 HydrophobicContact CG1-CD1 4.3Å; I262-I266 HydrophobicContact CG2-CD1 4.07Å; I262-I266 HydrophobicContact CG2-CG2 3.98Å; I262-I266 WeakPolarHBondContact O-CG1 3.3Å; I262-I266 PolarHBondContact O-N 3.41Å; I262-I266 VanDerWaalsContact O-N 3.1Å |
| 267 | K | 96.1 | Very high | 93.2 | Very high | 148 Ų | 148 | 60.7 Ų | 60.7 | 64% | 0.643 | 32% | 0.323 | S | S | * | . | P | Polyproline II helix | trans | -99.8 | 130.7 | 175.3 | -65.4 | 178.6 | -177.8 | 173.5 | 0 | 110.3 | T174 N178 | T174-K267 HydrophobicContact CG2-CB 3.96Å; N178-K267 PolarHBondContact ND2-O 3.11Å; N178-K267 PolarHBondContact OD1-N 3.26Å |
| 268 | A | 93.6 | Very high | 90.8 | Very high | 66 Ų | 66 | 64.3 Ų | 64.3 | 55% | 0.545 | 38% | 0.375 | S | S | . | . | P | Polyproline II helix | trans | -71.3 | 151.2 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | I238 | I238-A268 HydrophobicContact CD1-CB 3.46Å; I238-A268 VanDerWaalsContact CD1-CB 3.46Å |
| 269 | F | 91.8 | Very high | 90.5 | Very high | 14 Ų | 14 | 67.6 Ų | 67.6 | 6% | 0.061 | 39% | 0.393 | C | S | . | . | trans | -132.8 | 156.6 | 163.7 | 53.4 | -97.2 | 0 | 0 | 0 | 110.3 | K166 H171 T174 M175 M214 V271 | K166-F269 HydrophobicContact CD-CE2 4.11Å; H171-F269 HydrophobicContact CB-CD2 4.12Å; H171-F269 HydrophobicContact CB-CE2 4.38Å; H171-F269 HydrophobicContact CB-CG 4.46Å; H171-F269 AromaticContact CD2-CD2 3.69Å; H171-F269 AromaticContact CD2-CG 3.88Å; H171-F269 AromaticContact CG-CD2 3.81Å; T174-F269 HydrophobicContact CG2-CB 4.38Å; T174-F269 HydrophobicContact CG2-CD1 3.78Å; M175-F269 HydrophobicContact CB-CE1 4.31Å; M175-F269 HydrophobicContact CE-CZ 4.23Å; M214-F269 HydrophobicContact CB-CE1 4.18Å; M214-F269 HydrophobicContact CB-CE2 4.03Å; M214-F269 HydrophobicContact CB-CZ 3.67Å; M214-F269 HydrophobicContact CE-CD1 3.9Å; M214-F269 HydrophobicContact CE-CE1 3.38Å; M214-F269 HydrophobicContact CE-CZ 4.08Å; M214-F269 HydrophobicContact SD-CD1 4.01Å; M214-F269 HydrophobicContact SD-CE1 3.85Å; M214-F269 HydrophobicContact SD-CZ 4.27Å; F269-V271 HydrophobicContact CD2-CG1 3.58Å; F269-V271 HydrophobicContact CE2-CG1 3.41Å; F269-V271 VanDerWaalsContact CE2-CG1 3.41Å; F269-V271 HydrophobicContact CZ-CG1 4.46Å; F269-V271 WeakPolarHBondContact O-CG1 3.42Å; F269-V271 PolarHBondContact O-N 3.23Å | ||
| 270 | P | 90.5 | Very high | 90 | Very high | 102 Ų | 102 | 71.1 Ų | 71.1 | 66% | 0.662 | 41% | 0.414 | S | S | * | . | trans | -59.7 | 127 | 179.3 | -24.1 | 34.7 | 0 | 0 | 0 | 112.4 | H171 | H171-P270 PolarHBondContact CE1-O 3.49Å; H171-P270 PolarHBondContact NE2-O 3.4Å | ||
| 271 | V | 90.5 | Very high | 89.6 | Confident | 15 Ų | 15 | 70.9 Ų | 70.9 | 9% | 0.091 | 42% | 0.418 | C | S | . | . | trans | -126.2 | -3 | 178.1 | -59.8 | 0 | 0 | 0 | 0 | 114.1 | M214 R248 R249 F269 | M214-V271 HydrophobicContact CB-CG1 4.08Å; R248-V271 HydrophobicContact CB-CB 4.45Å; R248-V271 HydrophobicContact CB-CG2 3.79Å; R248-V271 PolarHBondContact NH1-O 2.84Å; R248-V271 VanDerWaalsContact NH1-O 3.12Å; R249-V271 HydrophobicContact CG-CG2 3.76Å; F269-V271 HydrophobicContact CD2-CG1 3.58Å; F269-V271 HydrophobicContact CE2-CG1 3.41Å; F269-V271 VanDerWaalsContact CE2-CG1 3.41Å; F269-V271 HydrophobicContact CZ-CG1 4.46Å; F269-V271 WeakPolarHBondContact O-CG1 3.42Å; F269-V271 PolarHBondContact O-N 3.23Å | ||
| 272 | G | 91.9 | Very high | 89.1 | Confident | 52 Ų | 52 | 69.2 Ų | 69.2 | 54% | 0.536 | 42% | 0.42 | S | S | . | . | trans | 69.4 | -167.7 | -170.1 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 273 | R | 95.1 | Very high | 88.5 | Confident | 77 Ų | 77 | 73.6 Ų | 73.6 | 29% | 0.291 | 45% | 0.447 | S | S | . | . | trans | -136.3 | 158.1 | 175.6 | -64.8 | -179.8 | 57.1 | 84.3 | 1.9 | 109.3 | D244 M246 D275 I276 | D244-R273 IonicContact OD1-NH2 3.94Å; D244-R273 PolarHBondContact OD1-NH2 3.25Å; D244-R273 IonicContact OD2-CZ 3.3Å; D244-R273 IonicContact OD2-NH1 3.77Å; D244-R273 PolarHBondContact OD2-NH1 3.41Å; D244-R273 IonicContact OD2-NH2 3.88Å; D244-R273 PolarHBondContact OD2-NH2 2.99Å; M246-R273 WeakPolarHBondContact O-CA 3.39Å; M246-R273 WeakPolarHBondContact O-CB 3.45Å; R273-D275 VanDerWaalsContact C-N 3.35Å; R273-D275 VanDerWaalsContact CB-OD1 3.26Å; R273-D275 WeakPolarHBondContact CB-OD1 3.4Å; R273-D275 IonicContact CZ-OD1 3.81Å; R273-D275 IonicContact CZ-OD2 3.05Å; R273-D275 IonicContact NE-OD1 3.56Å; R273-D275 PolarHBondContact NE-OD1 2.81Å; R273-D275 IonicContact NE-OD2 3.79Å; R273-D275 IonicContact NH2-OD1 3.78Å; R273-D275 PolarHBondContact NH2-OD1 3.12Å; R273-D275 IonicContact NH2-OD2 3.71Å; R273-D275 PolarHBondContact NH2-OD2 3.09Å; R273-I276 HydrophobicContact CB-CD1 4.21Å; R273-I276 HydrophobicContact CB-CG1 4.18Å; R273-I276 HydrophobicContact CG-CD1 4.29Å | ||
| 274 | D | 95.8 | Very high | 87.9 | Confident | 11 Ų | 11 | 77.1 Ų | 77.1 | 6% | 0.059 | 47% | 0.467 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.4 | -18.8 | 177.6 | -70.7 | -22.3 | 0 | 0 | 0 | 113 | S79 H217 C218 M246 R248 | S79-D274 WeakPolarHBondContact CB-O 3.38Å; S79-D274 PolarHBondContact OG-O 2.93Å; H217-D274 WeakPolarHBondContact CA-OD2 3.44Å; H217-D274 IonicContact CE1-OD1 3.14Å; H217-D274 IonicContact CG-OD1 3.46Å; H217-D274 IonicContact ND1-OD1 2.65Å; H217-D274 PolarHBondContact ND1-OD1 3.13Å; H217-D274 IonicContact ND1-OD2 2.74Å; C218-D274 PolarHBondContact N-OD2 3.35Å; M246-D274 HydrophobicContact CE-CB 3.58Å; M246-D274 PolarHBondContact O-N 3.26Å; R248-D274 WeakPolarHBondContact CD-OD1 3.4Å; R248-D274 WeakPolarHBondContact CG-OD1 3.25Å |
| 275 | D | 91.8 | Very high | 87.2 | Confident | 57 Ų | 57 | 72.8 Ų | 72.8 | 31% | 0.305 | 45% | 0.454 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.7 | 13.9 | -176.8 | 59.9 | 0.3 | 0 | 0 | 0 | 113.6 | M246 R273 | M246-D275 HydrophobicContact CB-CB 4.17Å; M246-D275 WeakPolarHBondContact CB-OD2 3.42Å; M246-D275 HydrophobicContact CE-CB 4.22Å; M246-D275 HydrophobicContact CG-CB 4.36Å; R273-D275 VanDerWaalsContact C-N 3.35Å; R273-D275 VanDerWaalsContact CB-OD1 3.26Å; R273-D275 WeakPolarHBondContact CB-OD1 3.4Å; R273-D275 IonicContact CZ-OD1 3.81Å; R273-D275 IonicContact CZ-OD2 3.05Å; R273-D275 IonicContact NE-OD1 3.56Å; R273-D275 PolarHBondContact NE-OD1 2.81Å; R273-D275 IonicContact NE-OD2 3.79Å; R273-D275 IonicContact NH2-OD1 3.78Å; R273-D275 PolarHBondContact NH2-OD1 3.12Å; R273-D275 IonicContact NH2-OD2 3.71Å; R273-D275 PolarHBondContact NH2-OD2 3.09Å |
| 276 | I | 83.2 | Confident | 86.4 | Confident | 110 Ų | 110 | 76.2 Ų | 76.2 | 56% | 0.564 | 48% | 0.476 | S | S | * | . | S | Bend | trans | -120.5 | 125 | 174.9 | -61 | -179 | 0 | 0 | 0 | 107.9 | R273 G278 | R273-I276 HydrophobicContact CB-CD1 4.21Å; R273-I276 HydrophobicContact CB-CG1 4.18Å; R273-I276 HydrophobicContact CG-CD1 4.29Å; I276-G278 PolarHBondContact O-N 2.8Å |
| 277 | E | 58.3 | Low | 85.6 | Confident | 174 Ų | 174 | 81.3 Ų | 81.3 | 81% | 0.813 | 51% | 0.509 | S | S | * | . | trans | -62.2 | 119.7 | 167.9 | -71.4 | -179.8 | 173.8 | 0 | 0 | 108.7 | ||||
| 278 | G | 48.7 | Very low | 84.6 | Confident | 149 Ų | 149 | 75.2 Ų | 75.2 | 100% | 1.536 | 50% | 0.497 | S | S | * | . | trans | -74.1 | 0 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | I276 | I276-G278 PolarHBondContact O-N 2.8Š|
Retrieved 278 of 278 residues in 304.2 ms
(Link to these results)