| 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 | 51.4 | Low | 89.7 | Confident | 243 Ų | 243 | 79.9 Ų | 79.9 | 100% | 1.197 | 42% | 0.419 | S | S | * | . | 0 | 132.3 | 0 | -74.9 | 179.6 | -94.1 | 0 | 0 | 106.8 | |||||
| 2 | S | 75.9 | Confident | 90.4 | Very high | 113 Ų | 113 | 73.3 Ų | 73.3 | 79% | 0.79 | 38% | 0.384 | S | S | * | . | trans | -58.5 | 135.7 | 173.8 | 42.1 | 0 | 0 | 0 | 0 | 109 | P4 | S2-P4 WeakPolarHBondContact O-CD 3.34Š| ||
| 3 | D | 89 | Confident | 91 | Very high | 47 Ų | 47 | 70.6 Ų | 70.6 | 25% | 0.251 | 37% | 0.37 | S | S | . | . | trans | -70.9 | 106.8 | 173.2 | -178.6 | -6.9 | 0 | 0 | 0 | 107.9 | W5 Q6 R134 | D3-W5 PolarHBondContact O-N 2.89Å; D3-W5 PolarHBondContact OD1-N 2.91Å; D3-Q6 HydrophobicContact CB-CB 4.11Å; D3-Q6 PolarHBondContact O-N 3.26Å; D3-R134 IonicContact OD1-CZ 3.32Å; D3-R134 IonicContact OD1-NE 3.31Å; D3-R134 IonicContact OD1-NH2 3.51Å; D3-R134 PolarHBondContact OD1-NH2 3.48Å; D3-R134 IonicContact OD2-CZ 3.68Å; D3-R134 IonicContact OD2-NE 3.67Å; D3-R134 PolarHBondContact OD2-NE 3.09Å; D3-R134 IonicContact OD2-NH2 3.37Å; D3-R134 PolarHBondContact OD2-NH2 3.04Å | ||
| 4 | P | 87 | Confident | 91.5 | Very high | 81 Ų | 81 | 71.6 Ų | 71.6 | 53% | 0.526 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -20.2 | -173.2 | 28.9 | -35.3 | 0 | 0 | 0 | 112.5 | S2 | S2-P4 WeakPolarHBondContact O-CD 3.34Š|
| 5 | W | 96.8 | Very high | 92 | Very high | 60 Ų | 60 | 66.9 Ų | 66.9 | 23% | 0.227 | 35% | 0.351 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.6 | -9.2 | -177.5 | -48.6 | 138.9 | 0 | 0 | 0 | 113.1 | D3 C8 M9 P85 F111 V113 F119 | D3-W5 PolarHBondContact O-N 2.89Å; D3-W5 PolarHBondContact OD1-N 2.91Å; W5-C8 WeakPolarHBondContact O-CB 3.22Å; W5-C8 PolarHBondContact O-N 3.44Å; W5-M9 PolarHBondContact O-N 2.83Å; W5-P85 HydrophobicContact CH2-CG 4.15Å; W5-F111 HydrophobicContact CB-CE1 4.35Å; W5-F111 AromaticContact CD2-CE1 3.93Å; W5-F111 HydrophobicContact CD2-CE1 3.93Å; W5-F111 HydrophobicContact CD2-CZ 4.48Å; W5-F111 AromaticContact CE3-CE1 3.89Å; W5-F111 HydrophobicContact CE3-CE1 3.89Å; W5-F111 HydrophobicContact CE3-CZ 4.01Å; W5-F111 HydrophobicContact CG-CE1 4.12Å; W5-F111 HydrophobicContact CZ3-CZ 4.26Å; W5-V113 HydrophobicContact CD2-CG2 4.46Å; W5-V113 HydrophobicContact CH2-CG2 4.47Å; W5-V113 HydrophobicContact CZ2-CG1 4.27Å; W5-V113 HydrophobicContact CZ2-CG2 3.9Å; W5-F119 HydrophobicContact CB-CD1 4.45Å; W5-F119 HydrophobicContact CB-CE1 4.37Å |
| 6 | Q | 96.9 | Very high | 92.4 | Very high | 65 Ų | 65 | 62.7 Ų | 62.7 | 30% | 0.304 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -62.8 | -43.3 | 174.1 | -172.9 | 62.9 | 56.7 | 0 | 0 | 111.1 | D3 C8 M9 D10 | D3-Q6 HydrophobicContact CB-CB 4.11Å; D3-Q6 PolarHBondContact O-N 3.26Å; Q6-C8 VanDerWaalsContact C-N 3.26Å; Q6-C8 PolarHBondContact O-N 3.09Å; Q6-M9 PolarHBondContact O-N 2.67Å; Q6-M9 VanDerWaalsContact O-N 3.17Å; Q6-D10 PolarHBondContact NE2-OD1 2.91Å; Q6-D10 VanDerWaalsContact O-CG 3.23Å; Q6-D10 PolarHBondContact O-N 3.21Å |
| 7 | E | 96.5 | Very high | 92.8 | Very high | 115 Ų | 115 | 64.5 Ų | 64.5 | 54% | 0.537 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -63.6 | -35 | 177.9 | -163.7 | -162.5 | 147.8 | 0 | 0 | 112.1 | F11 K61 Y62 | E7-F11 WeakPolarHBondContact O-CB 3.04Å; E7-F11 PolarHBondContact O-N 2.95Å; E7-F11 VanDerWaalsContact O-N 3.11Å; E7-K61 WeakPolarHBondContact OE1-CE 3.41Å; E7-K61 IonicContact OE1-NZ 3.62Å; E7-K61 PolarHBondContact OE1-NZ 3.44Å; E7-Y62 PolarHBondContact O-OH 2.94Å |
| 8 | C | 98.3 | Very high | 93.1 | Very high | 4 Ų | 4 | 67.3 Ų | 67.3 | 3% | 0.027 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -63.8 | -46.2 | 174.5 | -65.4 | 0 | 0 | 0 | 0 | 110.8 | W5 Q6 C12 Y62 W87 F119 | W5-C8 WeakPolarHBondContact O-CB 3.22Å; W5-C8 PolarHBondContact O-N 3.44Å; Q6-C8 VanDerWaalsContact C-N 3.26Å; Q6-C8 PolarHBondContact O-N 3.09Å; C8-C12 WeakPolarHBondContact O-CB 3.26Å; C8-C12 PolarHBondContact O-N 2.94Å; C8-Y62 WeakPolarHBondContact CA-OH 3.26Å; C8-W87 HydrophobicContact CB-CH2 3.76Å; C8-W87 HydrophobicContact CB-CZ2 4.25Å; C8-F119 HydrophobicContact CB-CE1 3.91Å; C8-F119 HydrophobicContact CB-CZ 4Å |
| 9 | M | 98.4 | Very high | 93.4 | Very high | 15 Ų | 15 | 63.7 Ų | 63.7 | 7% | 0.074 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -63.3 | -46.8 | 178.1 | -174.5 | -177.6 | 179.7 | 0 | 0 | 112 | W5 Q6 F11 C12 L13 F119 I121 T132 R134 | W5-M9 PolarHBondContact O-N 2.83Å; Q6-M9 PolarHBondContact O-N 2.67Å; Q6-M9 VanDerWaalsContact O-N 3.17Å; M9-F11 PolarHBondContact O-N 3.24Å; M9-C12 WeakPolarHBondContact O-CB 3.47Å; M9-C12 PolarHBondContact O-N 3.41Å; M9-L13 WeakPolarHBondContact O-CB 3.43Å; M9-L13 PolarHBondContact O-N 2.56Å; M9-F119 HydrophobicContact CB-CD1 3.98Å; M9-F119 HydrophobicContact CB-CD2 4.08Å; M9-F119 HydrophobicContact CB-CE1 3.98Å; M9-F119 HydrophobicContact CB-CE2 4.09Å; M9-F119 HydrophobicContact CB-CG 4.03Å; M9-F119 HydrophobicContact CB-CZ 4.04Å; M9-F119 HydrophobicContact CG-CB 4.42Å; M9-F119 HydrophobicContact CG-CD2 3.95Å; M9-F119 HydrophobicContact CG-CE2 4.3Å; M9-F119 HydrophobicContact CG-CG 4.08Å; M9-F119 HydrophobicContact SD-CB 4.12Å; M9-F119 HydrophobicContact SD-CG 4.38Å; M9-I121 HydrophobicContact CG-CD1 4.38Å; M9-T132 HydrophobicContact CE-CG2 4.22Å; M9-R134 HydrophobicContact CE-CB 4.43Å; M9-R134 HydrophobicContact SD-CB 3.77Å |
| 10 | D | 97.9 | Very high | 93.6 | Very high | 85 Ų | 85 | 60.6 Ų | 60.6 | 46% | 0.455 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -62.4 | -44.9 | -178.4 | -65.8 | -17.5 | 0 | 0 | 0 | 111.3 | Q6 L13 D14 | Q6-D10 PolarHBondContact NE2-OD1 2.91Å; Q6-D10 VanDerWaalsContact O-CG 3.23Å; Q6-D10 PolarHBondContact O-N 3.21Å; D10-L13 WeakPolarHBondContact O-CB 3.48Å; D10-L13 PolarHBondContact O-N 3.33Å; D10-D14 PolarHBondContact O-N 3.44Å |
| 11 | F | 98.3 | Very high | 93.8 | Very high | 51 Ų | 51 | 63.3 Ų | 63.3 | 22% | 0.224 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -65 | -41.7 | 175.6 | -177.8 | -105.4 | 0 | 0 | 0 | 112 | E7 M9 L13 D14 V15 S57 L58 K61 Y62 | E7-F11 WeakPolarHBondContact O-CB 3.04Å; E7-F11 PolarHBondContact O-N 2.95Å; E7-F11 VanDerWaalsContact O-N 3.11Å; M9-F11 PolarHBondContact O-N 3.24Å; F11-L13 VanDerWaalsContact C-N 3.28Å; F11-L13 PolarHBondContact O-N 2.78Å; F11-D14 PolarHBondContact O-N 3.43Å; F11-V15 HydrophobicContact CD1-CG2 4.09Å; F11-V15 HydrophobicContact CE1-CG2 3.8Å; F11-V15 HydrophobicContact CZ-CG2 4.11Å; F11-V15 VanDerWaalsContact O-CG2 3.31Å; F11-V15 WeakPolarHBondContact O-CG2 3.32Å; F11-V15 PolarHBondContact O-N 3.17Å; F11-V15 VanDerWaalsContact O-N 3.08Å; F11-S57 WeakPolarHBondContact CE1-O 3.45Å; F11-L58 HydrophobicContact CD1-CD2 3.92Å; F11-L58 HydrophobicContact CE1-CD2 4.08Å; F11-K61 HydrophobicContact CB-CD 4.17Å; F11-K61 HydrophobicContact CD1-CB 4.35Å; F11-K61 HydrophobicContact CD1-CD 3.59Å; F11-K61 HydrophobicContact CD2-CD 3.61Å; F11-K61 HydrophobicContact CE1-CB 3.8Å; F11-K61 HydrophobicContact CE1-CD 3.75Å; F11-K61 HydrophobicContact CE1-CG 4.38Å; F11-K61 HydrophobicContact CE2-CD 3.78Å; F11-K61 HydrophobicContact CG-CD 3.5Å; F11-K61 VanDerWaalsContact CG-CD 3.5Å; F11-K61 HydrophobicContact CZ-CB 4Å; F11-K61 HydrophobicContact CZ-CD 3.83Å; F11-Y62 AromaticContact CD1-CE2 3.85Å; F11-Y62 HydrophobicContact CD1-CE2 3.85Å; F11-Y62 HydrophobicContact CE1-CE2 4.48Å |
| 12 | C | 98.4 | Very high | 95.9 | Very high | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -61.7 | -37.3 | 176.8 | -170.1 | 0 | 0 | 0 | 0 | 112 | C8 M9 D14 V15 T16 L58 W87 F119 I121 | C8-C12 WeakPolarHBondContact O-CB 3.26Å; C8-C12 PolarHBondContact O-N 2.94Å; M9-C12 WeakPolarHBondContact O-CB 3.47Å; M9-C12 PolarHBondContact O-N 3.41Å; C12-D14 VanDerWaalsContact C-N 3.33Å; C12-D14 PolarHBondContact O-N 3.28Å; C12-V15 PolarHBondContact O-N 2.86Å; C12-T16 WeakPolarHBondContact O-CB 3.47Å; C12-T16 PolarHBondContact O-N 3.37Å; C12-T16 PolarHBondContact O-OG1 2.95Å; C12-L58 HydrophobicContact CB-CD2 4.39Å; C12-W87 HydrophobicContact CB-CH2 4.22Å; C12-W87 HydrophobicContact CB-CZ3 3.71Å; C12-F119 HydrophobicContact CB-CE2 4.43Å; C12-I121 HydrophobicContact CB-CD1 3.93Å |
| 13 | L | 98.3 | Very high | 96.9 | Very high | 39 Ų | 39 | 49.2 Ų | 49.2 | 20% | 0.204 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -60.1 | -42.5 | 176 | -171.7 | 115.5 | 0 | 0 | 0 | 111.7 | M9 D10 F11 T16 K17 I121 M130 T132 | M9-L13 WeakPolarHBondContact O-CB 3.43Å; M9-L13 PolarHBondContact O-N 2.56Å; D10-L13 WeakPolarHBondContact O-CB 3.48Å; D10-L13 PolarHBondContact O-N 3.33Å; F11-L13 VanDerWaalsContact C-N 3.28Å; F11-L13 PolarHBondContact O-N 2.78Å; L13-T16 PolarHBondContact O-N 2.61Å; L13-K17 VanDerWaalsContact CD2-CE 3.41Å; L13-K17 WeakPolarHBondContact O-CG 3.47Å; L13-K17 PolarHBondContact O-N 3.06Å; L13-I121 HydrophobicContact CB-CD1 4.07Å; L13-M130 HydrophobicContact CD1-CG 4.07Å; L13-M130 HydrophobicContact CD1-SD 4.34Å; L13-T132 HydrophobicContact CD1-CG2 3.52Å |
| 14 | D | 98.3 | Very high | 97.2 | Very high | 85 Ų | 85 | 50.7 Ų | 50.7 | 46% | 0.455 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -69.6 | -36.8 | 176.9 | -72.3 | -23.1 | 0 | 0 | 0 | 112.7 | D10 F11 C12 K17 R18 | D10-D14 PolarHBondContact O-N 3.44Å; F11-D14 PolarHBondContact O-N 3.43Å; C12-D14 VanDerWaalsContact C-N 3.33Å; C12-D14 PolarHBondContact O-N 3.28Å; D14-K17 IonicContact OD1-NZ 2.78Å; D14-K17 PolarHBondContact OD1-NZ 3.03Å; D14-R18 WeakPolarHBondContact O-CG 3.24Å; D14-R18 PolarHBondContact O-N 3.46Å |
| 15 | V | 98.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -61.7 | -45.6 | 171.4 | 178.2 | 0 | 0 | 0 | 0 | 110.5 | F11 C12 K17 R18 A19 I54 | F11-V15 HydrophobicContact CD1-CG2 4.09Å; F11-V15 HydrophobicContact CE1-CG2 3.8Å; F11-V15 HydrophobicContact CZ-CG2 4.11Å; F11-V15 VanDerWaalsContact O-CG2 3.31Å; F11-V15 WeakPolarHBondContact O-CG2 3.32Å; F11-V15 PolarHBondContact O-N 3.17Å; F11-V15 VanDerWaalsContact O-N 3.08Å; C12-V15 PolarHBondContact O-N 2.86Å; V15-K17 PolarHBondContact O-N 2.85Å; V15-R18 WeakPolarHBondContact O-CB 3.14Å; V15-R18 PolarHBondContact O-N 3.32Å; V15-R18 VanDerWaalsContact O-N 3.12Å; V15-A19 PolarHBondContact O-N 2.87Å; V15-I54 HydrophobicContact CG1-CB 4.2Å; V15-I54 HydrophobicContact CG1-CG1 4.02Å; V15-I54 HydrophobicContact CG1-CG2 4.25Å |
| 16 | T | 98.7 | Very high | 97.4 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -63.9 | -38.9 | -179.2 | -52.9 | 0 | 0 | 0 | 0 | 111.9 | C12 L13 R18 A19 G20 V107 I109 I121 Y123 M130 | C12-T16 WeakPolarHBondContact O-CB 3.47Å; C12-T16 PolarHBondContact O-N 3.37Å; C12-T16 PolarHBondContact O-OG1 2.95Å; L13-T16 PolarHBondContact O-N 2.61Å; T16-R18 VanDerWaalsContact C-N 3.33Å; T16-R18 PolarHBondContact O-N 3.25Å; T16-A19 WeakPolarHBondContact O-CB 3.49Å; T16-A19 PolarHBondContact O-N 3.22Å; T16-G20 PolarHBondContact O-N 2.99Å; T16-V107 HydrophobicContact CG2-CB 4.09Å; T16-V107 HydrophobicContact CG2-CG1 3.98Å; T16-I109 WeakPolarHBondContact OG1-CD1 3.32Å; T16-I121 HydrophobicContact CG2-CG2 3.87Å; T16-Y123 HydrophobicContact CG2-CD1 4.38Å; T16-Y123 HydrophobicContact CG2-CG 4.47Å; T16-M130 HydrophobicContact CG2-CE 4.15Å; T16-M130 HydrophobicContact CG2-SD 4.34Å |
| 17 | K | 98.4 | Very high | 97.1 | Very high | 93 Ų | 93 | 47.2 Ų | 47.2 | 40% | 0.404 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -61 | -40.6 | 172.8 | -72.5 | 170.1 | -171.4 | 163.1 | 0 | 112.3 | L13 D14 V15 K21 M130 | L13-K17 VanDerWaalsContact CD2-CE 3.41Å; L13-K17 WeakPolarHBondContact O-CG 3.47Å; L13-K17 PolarHBondContact O-N 3.06Å; D14-K17 IonicContact OD1-NZ 2.78Å; D14-K17 PolarHBondContact OD1-NZ 3.03Å; V15-K17 PolarHBondContact O-N 2.85Å; K17-K21 PolarHBondContact O-N 3.48Å; K17-K21 VanDerWaalsContact O-N 3.07Å; K17-M130 HydrophobicContact CG-CE 3.86Å |
| 18 | R | 98.5 | Very high | 96.6 | Very high | 115 Ų | 115 | 49.7 Ų | 49.7 | 43% | 0.434 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -65.5 | -42.2 | 175.9 | -69.1 | -174.8 | -68.6 | 149.2 | 2.6 | 111.2 | D14 V15 T16 K21 M22 L53 S57 | D14-R18 WeakPolarHBondContact O-CG 3.24Å; D14-R18 PolarHBondContact O-N 3.46Å; V15-R18 WeakPolarHBondContact O-CB 3.14Å; V15-R18 PolarHBondContact O-N 3.32Å; V15-R18 VanDerWaalsContact O-N 3.12Å; T16-R18 VanDerWaalsContact C-N 3.33Å; T16-R18 PolarHBondContact O-N 3.25Å; R18-K21 PolarHBondContact O-N 3.36Å; R18-M22 PolarHBondContact O-N 3.43Å; R18-M22 VanDerWaalsContact O-N 3.1Å; R18-L53 HydrophobicContact CB-CD2 4.17Å; R18-S57 PolarHBondContact NH2-OG 2.78Å |
| 19 | A | 98.4 | Very high | 96 | Very high | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -58.7 | -51.5 | 174 | 0 | 0 | 0 | 0 | 0 | 112.1 | V15 T16 K21 M22 I23 V50 L53 I54 V107 | V15-A19 PolarHBondContact O-N 2.87Å; T16-A19 WeakPolarHBondContact O-CB 3.49Å; T16-A19 PolarHBondContact O-N 3.22Å; A19-K21 VanDerWaalsContact C-N 3.29Å; A19-K21 PolarHBondContact O-N 3.48Å; A19-M22 WeakPolarHBondContact O-CA 3.28Å; A19-M22 VanDerWaalsContact O-CB 3.3Å; A19-M22 WeakPolarHBondContact O-CB 3.48Å; A19-M22 PolarHBondContact O-N 3.38Å; A19-I23 PolarHBondContact O-N 3.45Å; A19-V50 HydrophobicContact CB-CG1 3.76Å; A19-L53 HydrophobicContact CB-CD2 4.49Å; A19-I54 HydrophobicContact CB-CD1 4.04Å; A19-I54 HydrophobicContact CB-CG1 4.11Å; A19-V107 HydrophobicContact CB-CG1 4.5Å; A19-V107 HydrophobicContact CB-CG2 4.04Å |
| 20 | G | 97.8 | Very high | 95.1 | Very high | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -65.1 | -29.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114 | T16 I23 R24 C125 | T16-G20 PolarHBondContact O-N 2.99Å; G20-I23 PolarHBondContact O-N 2.81Å; G20-R24 WeakPolarHBondContact O-CG 3.48Å; G20-R24 PolarHBondContact O-N 3.36Å; G20-C125 VanDerWaalsContact CA-SG 3.54Å |
| 21 | K | 97.4 | Very high | 94.3 | Very high | 119 Ų | 119 | 60.5 Ų | 60.5 | 52% | 0.517 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -62.3 | -46 | 168.9 | -178.6 | 179.4 | 170.2 | -178.4 | 0 | 111.3 | K17 R18 A19 I23 R24 E25 | K17-K21 PolarHBondContact O-N 3.48Å; K17-K21 VanDerWaalsContact O-N 3.07Å; R18-K21 PolarHBondContact O-N 3.36Å; A19-K21 VanDerWaalsContact C-N 3.29Å; A19-K21 PolarHBondContact O-N 3.48Å; K21-I23 VanDerWaalsContact C-N 3.33Å; K21-I23 PolarHBondContact O-N 2.91Å; K21-R24 PolarHBondContact O-N 3.42Å; K21-E25 WeakPolarHBondContact CE-OE1 3.46Å; K21-E25 IonicContact NZ-OE1 3.58Å; K21-E25 WeakPolarHBondContact O-CG 3.16Å; K21-E25 PolarHBondContact O-N 3.06Å |
| 22 | M | 97.1 | Very high | 93.4 | Very high | 59 Ų | 59 | 62.6 Ų | 62.6 | 29% | 0.291 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -59.2 | -43.3 | 177.2 | -173.9 | -174 | -73 | 0 | 0 | 111.6 | R18 A19 E25 A26 K49 V50 L53 | R18-M22 PolarHBondContact O-N 3.43Å; R18-M22 VanDerWaalsContact O-N 3.1Å; A19-M22 WeakPolarHBondContact O-CA 3.28Å; A19-M22 VanDerWaalsContact O-CB 3.3Å; A19-M22 WeakPolarHBondContact O-CB 3.48Å; A19-M22 PolarHBondContact O-N 3.38Å; M22-E25 PolarHBondContact O-N 2.96Å; M22-A26 WeakPolarHBondContact O-CB 3.38Å; M22-A26 PolarHBondContact O-N 3.1Å; M22-K49 HydrophobicContact SD-CB 4Å; M22-V50 HydrophobicContact CB-CG2 4.41Å; M22-V50 HydrophobicContact CG-CG2 4.25Å; M22-V50 HydrophobicContact SD-CG2 3.65Å; M22-L53 HydrophobicContact CE-CB 4.32Å; M22-L53 HydrophobicContact CE-CD2 3.76Å |
| 23 | I | 96.4 | Very high | 92.6 | Very high | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -61.6 | -47.8 | 177 | -66.4 | 168 | 0 | 0 | 0 | 111.2 | A19 G20 K21 E25 A26 L27 T46 V50 I92 F98 V105 V107 C125 | A19-I23 PolarHBondContact O-N 3.45Å; G20-I23 PolarHBondContact O-N 2.81Å; K21-I23 VanDerWaalsContact C-N 3.33Å; K21-I23 PolarHBondContact O-N 2.91Å; I23-E25 VanDerWaalsContact C-N 3.31Å; I23-E25 PolarHBondContact O-N 2.78Å; I23-A26 WeakPolarHBondContact O-CB 3.11Å; I23-A26 PolarHBondContact O-N 3.08Å; I23-A26 VanDerWaalsContact O-N 3.14Å; I23-L27 PolarHBondContact O-N 2.96Å; I23-L27 VanDerWaalsContact O-N 3.09Å; I23-T46 HydrophobicContact CG1-CG2 4.49Å; I23-V50 HydrophobicContact CD1-CG1 4.48Å; I23-V50 HydrophobicContact CD1-CG2 4.32Å; I23-V50 HydrophobicContact CG1-CG2 3.8Å; I23-I92 HydrophobicContact CD1-CD1 4.31Å; I23-I92 HydrophobicContact CD1-CG1 3.85Å; I23-I92 HydrophobicContact CG1-CD1 4.04Å; I23-I92 HydrophobicContact CG1-CG1 4.13Å; I23-F98 HydrophobicContact CG2-CD2 4Å; I23-F98 HydrophobicContact CG2-CE2 3.92Å; I23-V105 HydrophobicContact CG2-CG1 4Å; I23-V107 HydrophobicContact CD1-CG2 3.4Å; I23-C125 HydrophobicContact CG2-CB 4.22Å |
| 24 | R | 95.6 | Very high | 91.7 | Very high | 79 Ų | 79 | 68.5 Ų | 68.5 | 30% | 0.298 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -61.4 | -37.9 | 177.7 | -77.2 | -169.8 | -70.3 | -102.3 | 2.3 | 113.1 | G20 K21 A26 Y123 C125 D128 | G20-R24 WeakPolarHBondContact O-CG 3.48Å; G20-R24 PolarHBondContact O-N 3.36Å; K21-R24 PolarHBondContact O-N 3.42Å; R24-A26 VanDerWaalsContact C-N 3.34Å; R24-Y123 PolarHBondContact NH1-OH 3.29Å; R24-Y123 PolarHBondContact NH2-OH 2.82Å; R24-C125 WeakPolarHBondContact CD-O 3.41Å; R24-C125 PolarHBondContact NH1-O 3.38Å; R24-D128 IonicContact NH1-OD1 2.83Å |
| 25 | E | 94.7 | Very high | 90.8 | Very high | 88 Ų | 88 | 70.7 Ų | 70.7 | 41% | 0.411 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -68.8 | -33.7 | 175.7 | -72.6 | 175.6 | 179.5 | 0 | 0 | 112.2 | K21 M22 I23 Q28 | K21-E25 WeakPolarHBondContact CE-OE1 3.46Å; K21-E25 IonicContact NZ-OE1 3.58Å; K21-E25 WeakPolarHBondContact O-CG 3.16Å; K21-E25 PolarHBondContact O-N 3.06Å; M22-E25 PolarHBondContact O-N 2.96Å; I23-E25 VanDerWaalsContact C-N 3.31Å; I23-E25 PolarHBondContact O-N 2.78Å; E25-Q28 PolarHBondContact O-N 2.83Å |
| 26 | A | 93.4 | Very high | 89.7 | Confident | 17 Ų | 17 | 73.4 Ų | 73.4 | 14% | 0.14 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -68.8 | -36.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | M22 I23 R24 Q28 K29 T46 F98 | M22-A26 WeakPolarHBondContact O-CB 3.38Å; M22-A26 PolarHBondContact O-N 3.1Å; I23-A26 WeakPolarHBondContact O-CB 3.11Å; I23-A26 PolarHBondContact O-N 3.08Å; I23-A26 VanDerWaalsContact O-N 3.14Å; R24-A26 VanDerWaalsContact C-N 3.34Å; A26-Q28 PolarHBondContact O-N 3.08Å; A26-Q28 VanDerWaalsContact O-N 3.13Å; A26-K29 PolarHBondContact O-N 2.8Å; A26-T46 HydrophobicContact CB-CG2 3.62Å; A26-F98 HydrophobicContact CB-CE2 4.2Å; A26-F98 HydrophobicContact CB-CZ 3.79Å |
| 27 | L | 89.3 | Confident | 88.3 | Confident | 27 Ų | 27 | 78.4 Ų | 78.4 | 14% | 0.141 | 38% | 0.383 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -21.8 | 176.4 | -74.2 | 170 | 0 | 0 | 0 | 114 | I23 K29 I31 F98 R101 I126 | I23-L27 PolarHBondContact O-N 2.96Å; I23-L27 VanDerWaalsContact O-N 3.09Å; L27-K29 VanDerWaalsContact C-N 3.31Å; L27-I31 HydrophobicContact CD2-CD1 4.4Å; L27-F98 HydrophobicContact CD1-CD2 4.48Å; L27-F98 HydrophobicContact CD2-CD2 3.46Å; L27-F98 VanDerWaalsContact CD2-CD2 3.46Å; L27-F98 HydrophobicContact CD2-CE2 3.6Å; L27-F98 HydrophobicContact CD2-CG 4.27Å; L27-F98 HydrophobicContact CD2-CZ 4.47Å; L27-F98 HydrophobicContact CG-CD2 3.85Å; L27-F98 HydrophobicContact CG-CE2 3.63Å; L27-R101 HydrophobicContact CD2-CG 4.23Å; L27-R101 PolarHBondContact O-NE 2.93Å; L27-I126 HydrophobicContact CD1-CD1 3.71Å; L27-I126 HydrophobicContact CD1-CG1 3.73Å |
| 28 | Q | 86.8 | Confident | 86.6 | Confident | 167 Ų | 167 | 74.7 Ų | 74.7 | 78% | 0.78 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.1 | -5.7 | 178.2 | -62 | 180 | 4.4 | 0 | 0 | 113.6 | E25 A26 | E25-Q28 PolarHBondContact O-N 2.83Å; A26-Q28 PolarHBondContact O-N 3.08Å; A26-Q28 VanDerWaalsContact O-N 3.13Å |
| 29 | K | 85.3 | Confident | 84.8 | Confident | 139 Ų | 139 | 72.5 Ų | 72.5 | 60% | 0.604 | 37% | 0.37 | S | S | * | . | S | Bend | trans | -114.6 | 174.5 | -177 | -61.8 | 176.6 | -175.1 | 172.1 | 0 | 110.7 | A26 L27 R101 | A26-K29 PolarHBondContact O-N 2.8Å; L27-K29 VanDerWaalsContact C-N 3.31Å; K29-R101 PolarHBondContact O-NH2 2.84Å |
| 30 | D | 79.9 | Confident | 83.4 | Confident | 160 Ų | 160 | 76 Ų | 76 | 86% | 0.856 | 39% | 0.39 | S | S | * | . | P | Polyproline II helix | trans | -70 | 129.5 | 166.2 | -68.2 | -33.7 | 0 | 0 | 0 | 109.5 | ||
| 31 | I | 80.6 | Confident | 82.2 | Confident | 33 Ų | 33 | 77.7 Ų | 77.7 | 17% | 0.169 | 40% | 0.4 | C | S | . | . | P | Polyproline II helix | trans | -95.5 | 124.5 | -176 | -60.2 | 171.5 | 0 | 0 | 0 | 108.2 | L27 I33 T44 F98 | L27-I31 HydrophobicContact CD2-CD1 4.4Å; I31-I33 HydrophobicContact CG2-CG1 4.34Å; I31-T44 HydrophobicContact CG2-CG2 3.66Å; I31-F98 HydrophobicContact CD1-CD1 4.23Å; I31-F98 HydrophobicContact CD1-CE1 3.84Å; I31-F98 HydrophobicContact CD1-CZ 4.04Å; I31-F98 HydrophobicContact CG1-CE1 4.24Å; I31-F98 HydrophobicContact CG1-CZ 4.39Å; I31-F98 HydrophobicContact CG2-CD1 4.45Å; I31-F98 HydrophobicContact CG2-CE1 3.84Å |
| 32 | T | 79.1 | Confident | 81.5 | Confident | 95 Ų | 95 | 73.1 Ų | 73.1 | 58% | 0.583 | 38% | 0.381 | S | S | * | . | P | Polyproline II helix | trans | -84.7 | 118 | 170.8 | -58.1 | 0 | 0 | 0 | 0 | 108.9 | T44 | T32-T44 WeakPolarHBondContact O-CB 3.24Š|
| 33 | I | 82.1 | Confident | 80.9 | Confident | 92 Ų | 92 | 70.7 Ų | 70.7 | 47% | 0.472 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 132.7 | -176.5 | -54 | 163.4 | 0 | 0 | 0 | 108.9 | I31 L42 V99 | I31-I33 HydrophobicContact CG2-CG1 4.34Å; I33-L42 HydrophobicContact CG2-CD1 4.44Å; I33-L42 HydrophobicContact CG2-CD2 4.01Å; I33-V99 HydrophobicContact CD1-CG1 3.48Å; I33-V99 VanDerWaalsContact CD1-CG1 3.48Å; I33-V99 HydrophobicContact CG1-CG1 3.99Å; I33-V99 HydrophobicContact CG1-CG2 4.1Å |
| 34 | M | 79.6 | Confident | 80.5 | Confident | 71 Ų | 71 | 70.7 Ų | 70.7 | 35% | 0.35 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 162.1 | 171.1 | -63 | 175.9 | -70 | 0 | 0 | 108.7 | V43 | M34-V43 CarbonylContact C-O 3.57Å; M34-V43 WeakPolarHBondContact CA-O 3.34Å; M34-V43 HydrophobicContact CB-CG1 3.66Å; M34-V43 WeakPolarHBondContact CB-O 3.36Å; M34-V43 HydrophobicContact CE-CG1 4.37Å; M34-V43 PolarHBondContact N-O 3.21Å; M34-V43 PolarHBondContact O-N 3.05Å; M34-V43 VanDerWaalsContact O-O 3.05Å |
| 35 | Q | 79.3 | Confident | 80.2 | Confident | 131 Ų | 131 | 71.3 Ų | 71.3 | 61% | 0.612 | 38% | 0.376 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 142.8 | 178.7 | -67.9 | 176.2 | -13.4 | 0 | 0 | 109.8 | L42 | Q35-L42 HydrophobicContact CG-CD2 4.27Å |
| 36 | K | 74.6 | Confident | 80.1 | Confident | 56 Ų | 56 | 68 Ų | 68 | 24% | 0.243 | 36% | 0.361 | C | S | . | . | S | Bend | trans | -96.1 | -107.7 | 175.2 | -64.8 | -174 | -170 | -173.8 | 0 | 110.5 | D41 V43 E70 E71 | K36-D41 HydrophobicContact CB-CB 4.36Å; K36-D41 WeakPolarHBondContact CB-OD2 3.39Å; K36-D41 PolarHBondContact N-O 3.13Å; K36-V43 HydrophobicContact CD-CB 4.24Å; K36-V43 VanDerWaalsContact CE-CB 3.42Å; K36-V43 HydrophobicContact CG-CB 3.81Å; K36-V43 HydrophobicContact CG-CG1 3.77Å; K36-E70 IonicContact NZ-OE1 3.32Å; K36-E70 PolarHBondContact NZ-OE1 3.14Å; K36-E71 VanDerWaalsContact CE-OE1 3.24Å; K36-E71 WeakPolarHBondContact CE-OE1 3.4Å; K36-E71 IonicContact NZ-OE1 2.67Å; K36-E71 PolarHBondContact NZ-OE1 2.83Å; K36-E71 IonicContact NZ-OE2 2.83Å |
| 37 | S | 69.4 | Low | 80.1 | Confident | 105 Ų | 105 | 67.2 Ų | 67.2 | 73% | 0.734 | 36% | 0.355 | S | S | * | . | S | Bend | trans | -87.6 | -17.7 | -171.2 | 69.8 | 0 | 0 | 0 | 0 | 114.2 | D41 | S37-D41 WeakPolarHBondContact CB-OD2 3.45Å; S37-D41 PolarHBondContact N-OD2 2.84Å; S37-D41 PolarHBondContact OG-OD2 3.23Å |
| 38 | S | 63.4 | Low | 80.4 | Confident | 16 Ų | 16 | 70.4 Ų | 70.4 | 11% | 0.112 | 37% | 0.369 | C | S | . | . | S | Bend | trans | -149.9 | 165.2 | 177.6 | 78.3 | 0 | 0 | 0 | 0 | 111.2 | V40 D41 | S38-V40 PolarHBondContact O-N 2.56Å; S38-V40 VanDerWaalsContact O-N 3.08Å; S38-V40 VanDerWaalsContact OG-CG2 3.3Å; S38-V40 WeakPolarHBondContact OG-CG2 3.44Å; S38-V40 PolarHBondContact OG-N 3.13Å; S38-D41 PolarHBondContact O-N 3.3Å; S38-D41 VanDerWaalsContact O-N 3.08Å; S38-D41 WeakPolarHBondContact OG-CB 3.33Å; S38-D41 PolarHBondContact OG-N 3.1Å |
| 39 | P | 60.4 | Low | 80.8 | Confident | 69 Ų | 69 | 66.7 Ų | 66.7 | 45% | 0.448 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | -20 | 175.2 | -25.1 | 34.5 | 0 | 0 | 0 | 115.3 | E167 | P39-E167 WeakPolarHBondContact CD-OE1 3.22Å; P39-E167 WeakPolarHBondContact CG-OE1 3.48Å |
| 40 | V | 69.1 | Low | 81.4 | Confident | 72 Ų | 72 | 60.1 Ų | 60.1 | 44% | 0.436 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.9 | -3.5 | -179.7 | -60.2 | 0 | 0 | 0 | 0 | 113.2 | S38 F165 | S38-V40 PolarHBondContact O-N 2.56Å; S38-V40 VanDerWaalsContact O-N 3.08Å; S38-V40 VanDerWaalsContact OG-CG2 3.3Å; S38-V40 WeakPolarHBondContact OG-CG2 3.44Å; S38-V40 PolarHBondContact OG-N 3.13Å; V40-F165 HydrophobicContact CG2-CB 4.4Å; V40-F165 WeakPolarHBondContact CG2-O 3.46Å |
| 41 | D | 73.7 | Confident | 82.3 | Confident | 36 Ų | 36 | 52.9 Ų | 52.9 | 19% | 0.193 | 28% | 0.283 | C | S | . | . | S | Bend | trans | -97.8 | 97.5 | 174 | -178.7 | 18 | 0 | 0 | 0 | 108.5 | K36 S37 S38 | K36-D41 HydrophobicContact CB-CB 4.36Å; K36-D41 WeakPolarHBondContact CB-OD2 3.39Å; K36-D41 PolarHBondContact N-O 3.13Å; S37-D41 WeakPolarHBondContact CB-OD2 3.45Å; S37-D41 PolarHBondContact N-OD2 2.84Å; S37-D41 PolarHBondContact OG-OD2 3.23Å; S38-D41 PolarHBondContact O-N 3.3Å; S38-D41 VanDerWaalsContact O-N 3.08Å; S38-D41 WeakPolarHBondContact OG-CB 3.33Å; S38-D41 PolarHBondContact OG-N 3.1Å |
| 42 | L | 81.1 | Confident | 83.2 | Confident | 23 Ų | 23 | 57.9 Ų | 57.9 | 12% | 0.12 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 149.8 | -166.9 | -57 | -178.4 | 0 | 0 | 0 | 111.6 | I33 Q35 T95 V99 | I33-L42 HydrophobicContact CG2-CD1 4.44Å; I33-L42 HydrophobicContact CG2-CD2 4.01Å; Q35-L42 HydrophobicContact CG-CD2 4.27Å; L42-T95 HydrophobicContact CB-CG2 4.34Å; L42-T95 WeakPolarHBondContact O-CG2 3.5Å; L42-V99 HydrophobicContact CD1-CB 4.32Å; L42-V99 HydrophobicContact CD1-CG1 4.25Å; L42-V99 HydrophobicContact CD1-CG2 4.13Å |
| 43 | V | 86.1 | Confident | 84.1 | Confident | 8 Ų | 8 | 55 Ų | 55 | 5% | 0.048 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 147.9 | 169.3 | 63.8 | 0 | 0 | 0 | 0 | 109.5 | M34 K36 D47 E71 | M34-V43 CarbonylContact C-O 3.57Å; M34-V43 WeakPolarHBondContact CA-O 3.34Å; M34-V43 HydrophobicContact CB-CG1 3.66Å; M34-V43 WeakPolarHBondContact CB-O 3.36Å; M34-V43 HydrophobicContact CE-CG1 4.37Å; M34-V43 PolarHBondContact N-O 3.21Å; M34-V43 PolarHBondContact O-N 3.05Å; M34-V43 VanDerWaalsContact O-O 3.05Å; K36-V43 HydrophobicContact CD-CB 4.24Å; K36-V43 VanDerWaalsContact CE-CB 3.42Å; K36-V43 HydrophobicContact CG-CB 3.81Å; K36-V43 HydrophobicContact CG-CG1 3.77Å; V43-D47 HydrophobicContact CG2-CB 3.99Å; V43-E71 WeakPolarHBondContact CG2-OE1 3.38Å; V43-E71 VanDerWaalsContact CG2-OE2 3.31Å; V43-E71 WeakPolarHBondContact CG2-OE2 3.5Å |
| 44 | T | 86.3 | Confident | 84.9 | Confident | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 165.2 | 172.7 | 82.7 | 0 | 0 | 0 | 0 | 110.6 | I31 T32 T46 D47 T95 F98 V99 | I31-T44 HydrophobicContact CG2-CG2 3.66Å; T32-T44 WeakPolarHBondContact O-CB 3.24Å; T44-T46 PolarHBondContact O-N 3.25Å; T44-T46 VanDerWaalsContact O-N 3.13Å; T44-T46 VanDerWaalsContact OG1-CB 3.26Å; T44-T46 WeakPolarHBondContact OG1-CB 3.46Å; T44-T46 PolarHBondContact OG1-N 3.42Å; T44-T46 VanDerWaalsContact OG1-N 3.1Å; T44-T46 PolarHBondContact OG1-OG1 3.32Å; T44-D47 VanDerWaalsContact CA-OD2 3.31Å; T44-D47 WeakPolarHBondContact CA-OD2 3.21Å; T44-D47 VanDerWaalsContact CB-OD2 3.25Å; T44-D47 WeakPolarHBondContact CB-OD2 3.21Å; T44-D47 PolarHBondContact N-OD2 2.57Å; T44-D47 PolarHBondContact O-N 2.64Å; T44-D47 PolarHBondContact OG1-OD2 2.99Å; T44-T95 HydrophobicContact CG2-CG2 4.18Å; T44-F98 HydrophobicContact CG2-CD1 3.92Å; T44-F98 HydrophobicContact CG2-CE1 3.9Å; T44-F98 WeakPolarHBondContact OG1-CE1 3.49Å; T44-V99 HydrophobicContact CG2-CG2 3.83Å |
| 45 | E | 90.5 | Very high | 85.8 | Confident | 93 Ų | 93 | 48.5 Ų | 48.5 | 44% | 0.435 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -59.1 | -22.5 | 171.2 | -160.8 | -162.9 | -178.4 | 0 | 0 | 111.6 | K49 | E45-K49 HydrophobicContact CG-CD 4.27Å; E45-K49 WeakPolarHBondContact O-CB 3.43Å; E45-K49 VanDerWaalsContact O-CG 3.26Å; E45-K49 WeakPolarHBondContact O-CG 3.44Å; E45-K49 PolarHBondContact O-N 2.68Å; E45-K49 VanDerWaalsContact O-N 3.13Å; E45-K49 WeakPolarHBondContact OE1-CE 3.25Å; E45-K49 IonicContact OE1-NZ 3.44Å; E45-K49 PolarHBondContact OE1-NZ 2.99Å; E45-K49 IonicContact OE2-NZ 2.62Å; E45-K49 PolarHBondContact OE2-NZ 3.44Å |
| 46 | T | 93.1 | Very high | 86.7 | Confident | 18 Ų | 18 | 45.2 Ų | 45.2 | 11% | 0.11 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -69.6 | -43.6 | 178.7 | -42.7 | 0 | 0 | 0 | 0 | 111.1 | I23 A26 T44 Q48 K49 V50 I92 F98 | I23-T46 HydrophobicContact CG1-CG2 4.49Å; A26-T46 HydrophobicContact CB-CG2 3.62Å; T44-T46 PolarHBondContact O-N 3.25Å; T44-T46 VanDerWaalsContact O-N 3.13Å; T44-T46 VanDerWaalsContact OG1-CB 3.26Å; T44-T46 WeakPolarHBondContact OG1-CB 3.46Å; T44-T46 PolarHBondContact OG1-N 3.42Å; T44-T46 VanDerWaalsContact OG1-N 3.1Å; T44-T46 PolarHBondContact OG1-OG1 3.32Å; T46-Q48 VanDerWaalsContact C-N 3.34Å; T46-Q48 PolarHBondContact O-N 3.17Å; T46-K49 PolarHBondContact O-N 2.83Å; T46-V50 HydrophobicContact CG2-CG2 4.14Å; T46-V50 WeakPolarHBondContact O-CB 3.39Å; T46-V50 VanDerWaalsContact O-CG2 3.25Å; T46-V50 WeakPolarHBondContact O-CG2 3.3Å; T46-V50 PolarHBondContact O-N 2.93Å; T46-I92 HydrophobicContact CG2-CD1 3.82Å; T46-F98 HydrophobicContact CG2-CZ 3.99Å |
| 47 | D | 93.4 | Very high | 87.9 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -55.6 | -51.1 | 178.8 | -52.3 | -114.1 | 0 | 0 | 0 | 109.9 | V43 T44 K49 V50 E51 E71 P91 I92 T95 | V43-D47 HydrophobicContact CG2-CB 3.99Å; T44-D47 VanDerWaalsContact CA-OD2 3.31Å; T44-D47 WeakPolarHBondContact CA-OD2 3.21Å; T44-D47 VanDerWaalsContact CB-OD2 3.25Å; T44-D47 WeakPolarHBondContact CB-OD2 3.21Å; T44-D47 PolarHBondContact N-OD2 2.57Å; T44-D47 PolarHBondContact O-N 2.64Å; T44-D47 PolarHBondContact OG1-OD2 2.99Å; D47-K49 PolarHBondContact O-N 3.14Å; D47-V50 PolarHBondContact O-N 2.87Å; D47-E51 PolarHBondContact O-N 2.98Å; D47-E71 HydrophobicContact CB-CG 4.17Å; D47-P91 HydrophobicContact CB-CG 4.35Å; D47-P91 WeakPolarHBondContact O-CB 3.36Å; D47-I92 HydrophobicContact CB-CD1 4.31Å; D47-I92 HydrophobicContact CB-CG1 4.48Å; D47-I92 WeakPolarHBondContact OD1-CB 3.39Å; D47-T95 VanDerWaalsContact OD1-CG2 3.28Å; D47-T95 WeakPolarHBondContact OD1-CG2 3.27Å; D47-T95 PolarHBondContact OD1-OG1 2.86Å |
| 48 | Q | 94.2 | Very high | 89.2 | Confident | 94 Ų | 94 | 38 Ų | 38 | 44% | 0.439 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -61.6 | -44.3 | 178.5 | -64.4 | 177.7 | -17.6 | 0 | 0 | 112.9 | T46 Q52 E71 | T46-Q48 VanDerWaalsContact C-N 3.34Å; T46-Q48 PolarHBondContact O-N 3.17Å; Q48-Q52 VanDerWaalsContact O-CB 3.32Å; Q48-Q52 WeakPolarHBondContact O-CB 3.31Å; Q48-Q52 PolarHBondContact O-N 2.68Å; Q48-E71 HydrophobicContact CG-CG 4.47Å |
| 49 | K | 96.4 | Very high | 90.9 | Very high | 90 Ų | 90 | 43.2 Ų | 43.2 | 39% | 0.391 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -65.9 | -40 | 178.9 | -77.9 | 172.5 | 178.3 | 167.8 | 0 | 112.2 | M22 E45 T46 D47 L53 | M22-K49 HydrophobicContact SD-CB 4Å; E45-K49 HydrophobicContact CG-CD 4.27Å; E45-K49 WeakPolarHBondContact O-CB 3.43Å; E45-K49 VanDerWaalsContact O-CG 3.26Å; E45-K49 WeakPolarHBondContact O-CG 3.44Å; E45-K49 PolarHBondContact O-N 2.68Å; E45-K49 VanDerWaalsContact O-N 3.13Å; E45-K49 WeakPolarHBondContact OE1-CE 3.25Å; E45-K49 IonicContact OE1-NZ 3.44Å; E45-K49 PolarHBondContact OE1-NZ 2.99Å; E45-K49 IonicContact OE2-NZ 2.62Å; E45-K49 PolarHBondContact OE2-NZ 3.44Å; T46-K49 PolarHBondContact O-N 2.83Å; D47-K49 PolarHBondContact O-N 3.14Å; K49-L53 WeakPolarHBondContact O-CB 3.31Å; K49-L53 PolarHBondContact O-N 3.19Å |
| 50 | V | 97.9 | Very high | 92.7 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -67.1 | -46.4 | 178.1 | 169.9 | 0 | 0 | 0 | 0 | 110 | A19 M22 I23 T46 D47 Q52 L53 I54 P91 | A19-V50 HydrophobicContact CB-CG1 3.76Å; M22-V50 HydrophobicContact CB-CG2 4.41Å; M22-V50 HydrophobicContact CG-CG2 4.25Å; M22-V50 HydrophobicContact SD-CG2 3.65Å; I23-V50 HydrophobicContact CD1-CG1 4.48Å; I23-V50 HydrophobicContact CD1-CG2 4.32Å; I23-V50 HydrophobicContact CG1-CG2 3.8Å; T46-V50 HydrophobicContact CG2-CG2 4.14Å; T46-V50 WeakPolarHBondContact O-CB 3.39Å; T46-V50 VanDerWaalsContact O-CG2 3.25Å; T46-V50 WeakPolarHBondContact O-CG2 3.3Å; T46-V50 PolarHBondContact O-N 2.93Å; D47-V50 PolarHBondContact O-N 2.87Å; V50-Q52 VanDerWaalsContact C-N 3.33Å; V50-Q52 PolarHBondContact O-N 3.03Å; V50-L53 WeakPolarHBondContact O-CB 3.38Å; V50-L53 PolarHBondContact O-N 3Å; V50-I54 HydrophobicContact CG1-CD1 3.7Å; V50-I54 HydrophobicContact CG1-CG1 4.43Å; V50-I54 VanDerWaalsContact O-CG1 3.32Å; V50-I54 WeakPolarHBondContact O-CG1 3.47Å; V50-I54 PolarHBondContact O-N 2.88Å; V50-P91 HydrophobicContact CB-CB 3.98Å; V50-P91 HydrophobicContact CG1-CB 3.72Å; V50-P91 WeakPolarHBondContact CG1-O 3.35Å |
| 51 | E | 98.5 | Very high | 94.1 | Very high | 8 Ų | 8 | 48.2 Ų | 48.2 | 4% | 0.037 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -60.6 | -45.5 | 176.8 | -165.8 | 176.4 | 104.2 | 0 | 0 | 111.2 | D47 L53 I54 I55 G69 E70 E71 S72 P91 | D47-E51 PolarHBondContact O-N 2.98Å; E51-L53 VanDerWaalsContact C-N 3.32Å; E51-L53 PolarHBondContact O-N 3.14Å; E51-I54 PolarHBondContact O-N 2.77Å; E51-I55 HydrophobicContact CG-CD1 3.64Å; E51-I55 HydrophobicContact CG-CG1 4.1Å; E51-I55 WeakPolarHBondContact O-CB 3.26Å; E51-I55 WeakPolarHBondContact O-CG1 3.43Å; E51-I55 PolarHBondContact O-N 2.78Å; E51-G69 VanDerWaalsContact OE2-C 3.31Å; E51-G69 WeakPolarHBondContact OE2-CA 3.48Å; E51-E70 PolarHBondContact OE2-N 3.44Å; E51-E70 VanDerWaalsContact OE2-N 3.14Å; E51-E71 WeakPolarHBondContact OE2-CB 3.46Å; E51-E71 PolarHBondContact OE2-N 3.34Å; E51-S72 WeakPolarHBondContact OE1-CA 3.47Å; E51-S72 VanDerWaalsContact OE1-CB 3.24Å; E51-S72 WeakPolarHBondContact OE1-CB 3.34Å; E51-S72 PolarHBondContact OE1-N 3.1Å; E51-S72 PolarHBondContact OE1-OG 2.92Å; E51-P91 HydrophobicContact CB-CB 3.84Å; E51-P91 HydrophobicContact CB-CG 3.99Å |
| 52 | Q | 98.3 | Very high | 95.3 | Very high | 139 Ų | 139 | 47.7 Ų | 47.7 | 65% | 0.65 | 23% | 0.229 | S | C | * | . | H | α-helix | trans | -58.6 | -43.5 | 177.1 | -172.7 | -178.4 | 18 | 0 | 0 | 111.7 | Q48 V50 S56 | Q48-Q52 VanDerWaalsContact O-CB 3.32Å; Q48-Q52 WeakPolarHBondContact O-CB 3.31Å; Q48-Q52 PolarHBondContact O-N 2.68Å; V50-Q52 VanDerWaalsContact C-N 3.33Å; V50-Q52 PolarHBondContact O-N 3.03Å; Q52-S56 WeakPolarHBondContact O-CB 3.24Å; Q52-S56 PolarHBondContact O-N 2.84Å; Q52-S56 PolarHBondContact O-OG 3.48Å |
| 53 | L | 98.6 | Very high | 96.1 | Very high | 34 Ų | 34 | 51.2 Ų | 51.2 | 18% | 0.178 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -59.4 | -47.3 | 175.8 | 169.8 | 67.6 | 0 | 0 | 0 | 111.5 | R18 A19 M22 K49 V50 E51 S56 S57 | R18-L53 HydrophobicContact CB-CD2 4.17Å; A19-L53 HydrophobicContact CB-CD2 4.49Å; M22-L53 HydrophobicContact CE-CB 4.32Å; M22-L53 HydrophobicContact CE-CD2 3.76Å; K49-L53 WeakPolarHBondContact O-CB 3.31Å; K49-L53 PolarHBondContact O-N 3.19Å; V50-L53 WeakPolarHBondContact O-CB 3.38Å; V50-L53 PolarHBondContact O-N 3Å; E51-L53 VanDerWaalsContact C-N 3.32Å; E51-L53 PolarHBondContact O-N 3.14Å; L53-S56 PolarHBondContact O-OG 2.91Å; L53-S57 VanDerWaalsContact O-CB 3.28Å; L53-S57 WeakPolarHBondContact O-CB 3.25Å; L53-S57 PolarHBondContact O-N 3.45Å; L53-S57 VanDerWaalsContact O-N 3.14Å; L53-S57 PolarHBondContact O-OG 2.75Å |
| 54 | I | 98.8 | Very high | 96.6 | Very high | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -65.3 | -56.2 | -177.6 | -65.4 | 165.2 | 0 | 0 | 0 | 109.9 | V15 A19 V50 E51 S56 S57 L58 I89 V107 I109 | V15-I54 HydrophobicContact CG1-CB 4.2Å; V15-I54 HydrophobicContact CG1-CG1 4.02Å; V15-I54 HydrophobicContact CG1-CG2 4.25Å; A19-I54 HydrophobicContact CB-CD1 4.04Å; A19-I54 HydrophobicContact CB-CG1 4.11Å; V50-I54 HydrophobicContact CG1-CD1 3.7Å; V50-I54 HydrophobicContact CG1-CG1 4.43Å; V50-I54 VanDerWaalsContact O-CG1 3.32Å; V50-I54 WeakPolarHBondContact O-CG1 3.47Å; V50-I54 PolarHBondContact O-N 2.88Å; E51-I54 PolarHBondContact O-N 2.77Å; I54-S56 PolarHBondContact O-N 2.67Å; I54-S57 PolarHBondContact O-N 2.91Å; I54-L58 HydrophobicContact CG2-CD1 3.67Å; I54-L58 HydrophobicContact CG2-CG 4.43Å; I54-L58 WeakPolarHBondContact O-CB 3.38Å; I54-L58 VanDerWaalsContact O-CG 3.29Å; I54-L58 WeakPolarHBondContact O-CG 3.45Å; I54-L58 PolarHBondContact O-N 3.25Å; I54-I89 HydrophobicContact CD1-CG2 4.04Å; I54-I89 HydrophobicContact CG2-CD1 3.73Å; I54-I89 HydrophobicContact CG2-CG1 4.11Å; I54-I89 HydrophobicContact CG2-CG2 4.13Å; I54-V107 HydrophobicContact CD1-CG1 3.81Å; I54-I109 HydrophobicContact CD1-CD1 4.24Å; I54-I109 HydrophobicContact CG2-CD1 3.77Å |
| 55 | I | 98.6 | Very high | 97.2 | Very high | 26 Ų | 26 | 57.5 Ų | 57.5 | 13% | 0.133 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -61.7 | -46.1 | -176.8 | -67.3 | -178.3 | 0 | 0 | 0 | 110.8 | E51 S57 L58 K59 F67 I89 | E51-I55 HydrophobicContact CG-CD1 3.64Å; E51-I55 HydrophobicContact CG-CG1 4.1Å; E51-I55 WeakPolarHBondContact O-CB 3.26Å; E51-I55 WeakPolarHBondContact O-CG1 3.43Å; E51-I55 PolarHBondContact O-N 2.78Å; I55-S57 PolarHBondContact O-N 3.33Å; I55-L58 PolarHBondContact O-N 3.06Å; I55-K59 WeakPolarHBondContact O-CB 3.32Å; I55-K59 PolarHBondContact O-N 2.83Å; I55-F67 HydrophobicContact CB-CD1 4.42Å; I55-F67 HydrophobicContact CG1-CD1 4.03Å; I55-F67 HydrophobicContact CG2-CD1 4.09Å; I55-F67 HydrophobicContact CG2-CD2 4.5Å; I55-F67 HydrophobicContact CG2-CE1 4.32Å; I55-F67 HydrophobicContact CG2-CG 4.2Å; I55-I89 HydrophobicContact CD1-CD1 4.41Å; I55-I89 HydrophobicContact CG1-CD1 3.66Å |
| 56 | S | 98.4 | Very high | 97.6 | Very high | 62 Ų | 62 | 58.8 Ų | 58.8 | 43% | 0.434 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -62.4 | -44.6 | -179.8 | 59.8 | 0 | 0 | 0 | 0 | 112.3 | Q52 L53 I54 L58 K59 E60 | Q52-S56 WeakPolarHBondContact O-CB 3.24Å; Q52-S56 PolarHBondContact O-N 2.84Å; Q52-S56 PolarHBondContact O-OG 3.48Å; L53-S56 PolarHBondContact O-OG 2.91Å; I54-S56 PolarHBondContact O-N 2.67Å; S56-L58 PolarHBondContact O-N 2.88Å; S56-K59 PolarHBondContact O-N 2.83Å; S56-E60 WeakPolarHBondContact O-CB 3.28Å; S56-E60 PolarHBondContact O-N 3.05Å |
| 57 | S | 98.7 | Very high | 97.9 | Very high | 11 Ų | 11 | 60.2 Ų | 60.2 | 8% | 0.077 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -61.5 | -45.2 | 177.5 | -61.9 | 0 | 0 | 0 | 0 | 111.9 | F11 R18 L53 I54 I55 K61 | F11-S57 WeakPolarHBondContact CE1-O 3.45Å; R18-S57 PolarHBondContact NH2-OG 2.78Å; L53-S57 VanDerWaalsContact O-CB 3.28Å; L53-S57 WeakPolarHBondContact O-CB 3.25Å; L53-S57 PolarHBondContact O-N 3.45Å; L53-S57 VanDerWaalsContact O-N 3.14Å; L53-S57 PolarHBondContact O-OG 2.75Å; I54-S57 PolarHBondContact O-N 2.91Å; I55-S57 PolarHBondContact O-N 3.33Å; S57-K61 PolarHBondContact O-N 3.13Å |
| 58 | L | 98.5 | Very high | 98.1 | Very high | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -69.7 | -40.3 | -179.6 | -69.2 | 174.3 | 0 | 0 | 0 | 111.7 | F11 C12 I54 I55 S56 K61 Y62 F67 W87 I89 | F11-L58 HydrophobicContact CD1-CD2 3.92Å; F11-L58 HydrophobicContact CE1-CD2 4.08Å; C12-L58 HydrophobicContact CB-CD2 4.39Å; I54-L58 HydrophobicContact CG2-CD1 3.67Å; I54-L58 HydrophobicContact CG2-CG 4.43Å; I54-L58 WeakPolarHBondContact O-CB 3.38Å; I54-L58 VanDerWaalsContact O-CG 3.29Å; I54-L58 WeakPolarHBondContact O-CG 3.45Å; I54-L58 PolarHBondContact O-N 3.25Å; I55-L58 PolarHBondContact O-N 3.06Å; S56-L58 PolarHBondContact O-N 2.88Å; L58-K61 PolarHBondContact O-N 3.39Å; L58-Y62 WeakPolarHBondContact O-CA 3.44Å; L58-Y62 WeakPolarHBondContact O-CB 3.39Å; L58-Y62 PolarHBondContact O-N 3.04Å; L58-F67 HydrophobicContact CB-CE1 3.69Å; L58-F67 HydrophobicContact CB-CZ 4Å; L58-F67 HydrophobicContact CD1-CE1 4.2Å; L58-W87 HydrophobicContact CD1-CB 4.32Å; L58-W87 HydrophobicContact CD1-CD2 3.72Å; L58-W87 HydrophobicContact CD1-CE3 3.77Å; L58-W87 HydrophobicContact CD1-CG 3.98Å; L58-W87 HydrophobicContact CD1-CZ3 4.29Å; L58-W87 HydrophobicContact CD2-CD2 4.31Å; L58-W87 HydrophobicContact CD2-CE3 4.19Å; L58-W87 HydrophobicContact CD2-CH2 3.74Å; L58-W87 HydrophobicContact CD2-CZ2 3.89Å; L58-W87 HydrophobicContact CD2-CZ3 3.9Å; L58-W87 HydrophobicContact CG-CD2 4.47Å; L58-I89 HydrophobicContact CD1-CD1 4.31Å |
| 59 | K | 98.4 | Very high | 98.3 | Very high | 125 Ų | 125 | 55.9 Ų | 55.9 | 54% | 0.543 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -69.5 | -33.7 | 179.5 | -172.1 | 173.9 | -176.7 | 175.8 | 0 | 112.6 | I55 S56 Y62 P63 F67 | I55-K59 WeakPolarHBondContact O-CB 3.32Å; I55-K59 PolarHBondContact O-N 2.83Å; S56-K59 PolarHBondContact O-N 2.83Å; K59-Y62 CarbonylContact O-C 3.47Å; K59-P63 VanDerWaalsContact O-CA 3.22Å; K59-P63 WeakPolarHBondContact O-CA 3.38Å; K59-F67 HydrophobicContact CB-CE2 3.99Å; K59-F67 HydrophobicContact CB-CZ 3.86Å; K59-F67 HydrophobicContact CG-CE2 4.22Å |
| 60 | E | 98.4 | Very high | 98.3 | Very high | 168 Ų | 168 | 52.9 Ų | 52.9 | 79% | 0.785 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -61.8 | -44.1 | 173.4 | -176.1 | 178.8 | 178.4 | 0 | 0 | 111.2 | S56 | S56-E60 WeakPolarHBondContact O-CB 3.28Å; S56-E60 PolarHBondContact O-N 3.05Å |
| 61 | K | 98.2 | Very high | 98.2 | Very high | 77 Ų | 77 | 53.6 Ų | 53.6 | 34% | 0.335 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -80.1 | -35.9 | 179.8 | -168.1 | 173 | -178.1 | -167.1 | 0 | 113.4 | E7 F11 S57 L58 P63 | E7-K61 WeakPolarHBondContact OE1-CE 3.41Å; E7-K61 IonicContact OE1-NZ 3.62Å; E7-K61 PolarHBondContact OE1-NZ 3.44Å; F11-K61 HydrophobicContact CB-CD 4.17Å; F11-K61 HydrophobicContact CD1-CB 4.35Å; F11-K61 HydrophobicContact CD1-CD 3.59Å; F11-K61 HydrophobicContact CD2-CD 3.61Å; F11-K61 HydrophobicContact CE1-CB 3.8Å; F11-K61 HydrophobicContact CE1-CD 3.75Å; F11-K61 HydrophobicContact CE1-CG 4.38Å; F11-K61 HydrophobicContact CE2-CD 3.78Å; F11-K61 HydrophobicContact CG-CD 3.5Å; F11-K61 VanDerWaalsContact CG-CD 3.5Å; F11-K61 HydrophobicContact CZ-CB 4Å; F11-K61 HydrophobicContact CZ-CD 3.83Å; S57-K61 PolarHBondContact O-N 3.13Å; L58-K61 PolarHBondContact O-N 3.39Å; K61-P63 WeakPolarHBondContact O-CD 3.29Å |
| 62 | Y | 98.1 | Very high | 98.1 | Very high | 26 Ų | 26 | 55 Ų | 55 | 10% | 0.102 | 28% | 0.277 | C | S | . | . | trans | -127 | 69.1 | -174.1 | -53.4 | -70.9 | 0 | 0 | 0 | 111.3 | E7 C8 F11 L58 K59 T64 H65 W87 | E7-Y62 PolarHBondContact O-OH 2.94Å; C8-Y62 WeakPolarHBondContact CA-OH 3.26Å; F11-Y62 AromaticContact CD1-CE2 3.85Å; F11-Y62 HydrophobicContact CD1-CE2 3.85Å; F11-Y62 HydrophobicContact CE1-CE2 4.48Å; L58-Y62 WeakPolarHBondContact O-CA 3.44Å; L58-Y62 WeakPolarHBondContact O-CB 3.39Å; L58-Y62 PolarHBondContact O-N 3.04Å; K59-Y62 CarbonylContact O-C 3.47Å; Y62-T64 PolarHBondContact O-N 3Å; Y62-T64 VanDerWaalsContact O-N 3.09Å; Y62-H65 WeakPolarHBondContact CB-ND1 3.41Å; Y62-H65 AromaticContact CD1-CE1 3.74Å; Y62-H65 AromaticContact CG-CE1 3.73Å; Y62-H65 AromaticContact CG-ND1 3.85Å; Y62-H65 PolarHBondContact O-N 3.35Å; Y62-H65 VanDerWaalsContact O-N 3.1Å; Y62-W87 HydrophobicContact CD2-CH2 4.36Å; Y62-W87 AromaticContact CD2-CZ2 3.58Å; Y62-W87 HydrophobicContact CD2-CZ2 3.58Å; Y62-W87 HydrophobicContact CE2-CH2 4.25Å; Y62-W87 AromaticContact CE2-CZ2 3.89Å; Y62-W87 HydrophobicContact CE2-CZ2 3.89Å; Y62-W87 HydrophobicContact CG-CZ2 4.26Å | ||
| 63 | P | 98 | Very high | 98 | Very high | 96 Ų | 96 | 50.1 Ų | 50.1 | 62% | 0.623 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.7 | -15.6 | -170.3 | 26.2 | -36.3 | 0 | 0 | 0 | 114.7 | K59 K61 | K59-P63 VanDerWaalsContact O-CA 3.22Å; K59-P63 WeakPolarHBondContact O-CA 3.38Å; K61-P63 WeakPolarHBondContact O-CD 3.29Å |
| 64 | T | 98.1 | Very high | 97.6 | Very high | 118 Ų | 118 | 51.8 Ų | 51.8 | 72% | 0.724 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.8 | -9.4 | 178.4 | 57.7 | 0 | 0 | 0 | 0 | 113.5 | Y62 | Y62-T64 PolarHBondContact O-N 3Å; Y62-T64 VanDerWaalsContact O-N 3.09Å |
| 65 | H | 98.4 | Very high | 97.4 | Very high | 23 Ų | 23 | 56 Ų | 56 | 11% | 0.106 | 31% | 0.311 | C | S | . | . | trans | -76.8 | 154.5 | 179.6 | -67.1 | -165.1 | 0 | 0 | 0 | 110.6 | Y62 F67 P85 W87 F111 | Y62-H65 WeakPolarHBondContact CB-ND1 3.41Å; Y62-H65 AromaticContact CD1-CE1 3.74Å; Y62-H65 AromaticContact CG-CE1 3.73Å; Y62-H65 AromaticContact CG-ND1 3.85Å; Y62-H65 PolarHBondContact O-N 3.35Å; Y62-H65 VanDerWaalsContact O-N 3.1Å; H65-F67 WeakPolarHBondContact O-CE2 3.26Å; H65-P85 CarbonylContact C-O 3.54Å; H65-P85 WeakPolarHBondContact CA-O 3.38Å; H65-P85 HydrophobicContact CB-CB 4.47Å; H65-P85 WeakPolarHBondContact CB-O 3.5Å; H65-W87 VanDerWaalsContact CB-NE1 3.35Å; H65-W87 AromaticContact CG-NE1 3.58Å; H65-W87 AromaticContact ND1-CE2 3.52Å; H65-W87 AromaticContact ND1-CZ2 3.62Å; H65-W87 AromaticContact ND1-NE1 3.05Å; H65-W87 PolarHBondContact ND1-NE1 3.44Å; H65-F111 AromaticContact CE1-CE2 3.92Å; H65-F111 AromaticContact CE1-CZ 3.91Å; H65-F111 AromaticContact ND1-CE2 3.61Å | ||
| 66 | R | 98.5 | Very high | 97.1 | Very high | 119 Ų | 119 | 58 Ų | 58 | 45% | 0.449 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 166.2 | 175.9 | -50.8 | -166.7 | 80.7 | 93.3 | 3.8 | 111.3 | T82 D84 P85 T86 W87 | R66-T82 WeakPolarHBondContact CD-OG1 3.37Å; R66-D84 HydrophobicContact CG-CB 3.89Å; R66-D84 IonicContact NH1-OD2 3.4Å; R66-D84 PolarHBondContact NH1-OD2 3.47Å; R66-P85 PolarHBondContact N-O 3Å; R66-T86 HydrophobicContact CB-CG2 4.06Å; R66-T86 WeakPolarHBondContact O-CA 3.44Å; R66-W87 PolarHBondContact O-N 3.38Å |
| 67 | F | 98.6 | Very high | 97 | Very high | 48 Ų | 48 | 57.1 Ų | 57.1 | 21% | 0.211 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 137.6 | -177 | -61.1 | -89.5 | 0 | 0 | 0 | 110.1 | I55 L58 K59 H65 W87 I89 | I55-F67 HydrophobicContact CB-CD1 4.42Å; I55-F67 HydrophobicContact CG1-CD1 4.03Å; I55-F67 HydrophobicContact CG2-CD1 4.09Å; I55-F67 HydrophobicContact CG2-CD2 4.5Å; I55-F67 HydrophobicContact CG2-CE1 4.32Å; I55-F67 HydrophobicContact CG2-CG 4.2Å; L58-F67 HydrophobicContact CB-CE1 3.69Å; L58-F67 HydrophobicContact CB-CZ 4Å; L58-F67 HydrophobicContact CD1-CE1 4.2Å; K59-F67 HydrophobicContact CB-CE2 3.99Å; K59-F67 HydrophobicContact CB-CZ 3.86Å; K59-F67 HydrophobicContact CG-CE2 4.22Å; H65-F67 WeakPolarHBondContact O-CE2 3.26Å; F67-W87 CarbonylContact C-O 3.58Å; F67-W87 WeakPolarHBondContact CA-O 3.31Å; F67-W87 HydrophobicContact CD1-CB 3.8Å; F67-W87 AromaticContact CD1-CD1 3.84Å; F67-W87 HydrophobicContact CD1-CG 4.11Å; F67-W87 HydrophobicContact CE1-CB 3.99Å; F67-W87 AromaticContact CE1-CD1 3.31Å; F67-W87 AromaticContact CE1-CG 3.8Å; F67-W87 HydrophobicContact CE1-CG 3.8Å; F67-W87 AromaticContact CZ-CD1 3.66Å; F67-I89 HydrophobicContact CD1-CD1 4Å |
| 68 | I | 98.8 | Very high | 96.7 | Very high | 3 Ų | 3 | 61.2 Ų | 61.2 | 2% | 0.015 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 105.3 | 163.9 | -58.4 | 175 | 0 | 0 | 0 | 105.3 | V73 S79 L81 T86 W87 I88 I89 W219 | I68-V73 HydrophobicContact CG2-CG2 4.25Å; I68-S79 WeakPolarHBondContact CG2-OG 3.28Å; I68-L81 HydrophobicContact CD1-CB 4.32Å; I68-L81 HydrophobicContact CD1-CD1 4.09Å; I68-T86 HydrophobicContact CD1-CG2 4.14Å; I68-T86 HydrophobicContact CG1-CG2 4Å; I68-W87 PolarHBondContact N-O 2.9Å; I68-I88 HydrophobicContact CB-CG1 4.43Å; I68-I88 HydrophobicContact CB-CG2 4.29Å; I68-I88 HydrophobicContact CD1-CG1 4.47Å; I68-I88 HydrophobicContact CG2-CG2 4.43Å; I68-I88 CarbonylContact O-C 3.6Å; I68-I88 VanDerWaalsContact O-CA 3.26Å; I68-I88 WeakPolarHBondContact O-CA 3.47Å; I68-I89 PolarHBondContact O-N 3.26Å; I68-W219 HydrophobicContact CG2-CE3 4.04Å; I68-W219 HydrophobicContact CG2-CZ3 4.26Å |
| 69 | G | 98.3 | Very high | 96.6 | Very high | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 140.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | E51 E71 S72 V73 I89 | E51-G69 VanDerWaalsContact OE2-C 3.31Å; E51-G69 WeakPolarHBondContact OE2-CA 3.48Å; G69-E71 PolarHBondContact O-N 3.15Å; G69-S72 PolarHBondContact O-N 2.89Å; G69-V73 WeakPolarHBondContact O-CB 3.21Å; G69-V73 VanDerWaalsContact O-CG2 3.28Å; G69-V73 WeakPolarHBondContact O-CG2 3.37Å; G69-V73 PolarHBondContact O-N 2.78Å; G69-I89 WeakPolarHBondContact CA-O 2.88Å |
| 70 | E | 97.1 | Very high | 96.4 | Very high | 27 Ų | 27 | 59.6 Ų | 59.6 | 13% | 0.126 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -52.2 | -52.9 | 179.1 | -179 | -177.4 | -176.8 | 0 | 0 | 112.4 | K36 E51 S72 V73 A74 I89 W219 | K36-E70 IonicContact NZ-OE1 3.32Å; K36-E70 PolarHBondContact NZ-OE1 3.14Å; E51-E70 PolarHBondContact OE2-N 3.44Å; E51-E70 VanDerWaalsContact OE2-N 3.14Å; E70-S72 VanDerWaalsContact C-N 3.35Å; E70-V73 PolarHBondContact O-N 3.38Å; E70-A74 PolarHBondContact O-N 3.31Å; E70-I89 PolarHBondContact N-O 2.99Å; E70-W219 HydrophobicContact CB-CD2 3.93Å; E70-W219 HydrophobicContact CB-CG 4.03Å; E70-W219 HydrophobicContact CB-CZ2 4.22Å; E70-W219 HydrophobicContact CG-CD2 4.42Å; E70-W219 HydrophobicContact CG-CZ2 3.89Å |
| 71 | E | 95.4 | Very high | 96.4 | Very high | 16 Ų | 16 | 52.5 Ų | 52.5 | 8% | 0.075 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -72.9 | -32.8 | -175.8 | -58.7 | -56.5 | 152.1 | 0 | 0 | 111.3 | K36 V43 D47 Q48 E51 G69 A74 A75 P91 | K36-E71 VanDerWaalsContact CE-OE1 3.24Å; K36-E71 WeakPolarHBondContact CE-OE1 3.4Å; K36-E71 IonicContact NZ-OE1 2.67Å; K36-E71 PolarHBondContact NZ-OE1 2.83Å; K36-E71 IonicContact NZ-OE2 2.83Å; V43-E71 WeakPolarHBondContact CG2-OE1 3.38Å; V43-E71 VanDerWaalsContact CG2-OE2 3.31Å; V43-E71 WeakPolarHBondContact CG2-OE2 3.5Å; D47-E71 HydrophobicContact CB-CG 4.17Å; Q48-E71 HydrophobicContact CG-CG 4.47Å; E51-E71 WeakPolarHBondContact OE2-CB 3.46Å; E51-E71 PolarHBondContact OE2-N 3.34Å; G69-E71 PolarHBondContact O-N 3.15Å; E71-A74 PolarHBondContact O-N 2.9Å; E71-A75 WeakPolarHBondContact O-CB 3.35Å; E71-A75 PolarHBondContact O-N 3.47Å; E71-P91 HydrophobicContact CG-CG 3.99Å |
| 72 | S | 96.4 | Very high | 96.4 | Very high | 37 Ų | 37 | 50.7 Ų | 50.7 | 26% | 0.259 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -62.5 | -42.9 | 171.9 | -70 | 0 | 0 | 0 | 0 | 111.4 | E51 G69 E70 A75 G76 A77 | E51-S72 WeakPolarHBondContact OE1-CA 3.47Å; E51-S72 VanDerWaalsContact OE1-CB 3.24Å; E51-S72 WeakPolarHBondContact OE1-CB 3.34Å; E51-S72 PolarHBondContact OE1-N 3.1Å; E51-S72 PolarHBondContact OE1-OG 2.92Å; G69-S72 PolarHBondContact O-N 2.89Å; E70-S72 VanDerWaalsContact C-N 3.35Å; S72-A75 CarbonylContact O-C 3.57Å; S72-A75 PolarHBondContact O-N 3.45Å; S72-G76 PolarHBondContact O-N 3Å; S72-A77 WeakPolarHBondContact O-CB 3.45Å; S72-A77 PolarHBondContact O-N 3.27Å |
| 73 | V | 95.6 | Very high | 96.4 | Very high | 37 Ų | 37 | 54.1 Ų | 54.1 | 22% | 0.224 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -67.5 | -42.4 | 176.7 | 170.5 | 0 | 0 | 0 | 0 | 110.4 | I68 G69 E70 A75 G76 A77 W219 | I68-V73 HydrophobicContact CG2-CG2 4.25Å; G69-V73 WeakPolarHBondContact O-CB 3.21Å; G69-V73 VanDerWaalsContact O-CG2 3.28Å; G69-V73 WeakPolarHBondContact O-CG2 3.37Å; G69-V73 PolarHBondContact O-N 2.78Å; E70-V73 PolarHBondContact O-N 3.38Å; V73-A75 PolarHBondContact O-N 3.28Å; V73-G76 PolarHBondContact O-N 3.1Å; V73-A77 WeakPolarHBondContact CA-O 3.41Å; V73-W219 HydrophobicContact CB-CH2 4.17Å; V73-W219 HydrophobicContact CB-CZ3 4.15Å; V73-W219 HydrophobicContact CG1-CH2 4.01Å; V73-W219 HydrophobicContact CG1-CZ3 4.25Å; V73-W219 HydrophobicContact CG2-CH2 4.48Å; V73-W219 HydrophobicContact CG2-CZ3 3.97Å |
| 74 | A | 91.4 | Very high | 96.4 | Very high | 68 Ų | 68 | 53.1 Ų | 53.1 | 56% | 0.562 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -59 | -31 | 172 | 0 | 0 | 0 | 0 | 0 | 112.5 | E70 E71 G76 | E70-A74 PolarHBondContact O-N 3.31Å; E71-A74 PolarHBondContact O-N 2.9Å; A74-G76 VanDerWaalsContact C-N 3.29Å; A74-G76 PolarHBondContact O-N 3Å |
| 75 | A | 92.7 | Very high | 96.4 | Very high | 90 Ų | 90 | 48.9 Ų | 48.9 | 74% | 0.744 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.2 | 5.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | E71 S72 V73 | E71-A75 WeakPolarHBondContact O-CB 3.35Å; E71-A75 PolarHBondContact O-N 3.47Å; S72-A75 CarbonylContact O-C 3.57Å; S72-A75 PolarHBondContact O-N 3.45Å; V73-A75 PolarHBondContact O-N 3.28Å |
| 76 | G | 94.1 | Very high | 96.5 | Very high | 67 Ų | 67 | 47.8 Ų | 47.8 | 69% | 0.691 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 97.7 | 10.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | S72 V73 A74 | S72-G76 PolarHBondContact O-N 3Å; V73-G76 PolarHBondContact O-N 3.1Å; A74-G76 VanDerWaalsContact C-N 3.29Å; A74-G76 PolarHBondContact O-N 3Å |
| 77 | A | 94.9 | Very high | 96.5 | Very high | 43 Ų | 43 | 42.1 Ų | 42.1 | 36% | 0.355 | 28% | 0.281 | S | S | . | . | trans | -70.2 | 146.2 | 169 | 0 | 0 | 0 | 0 | 0 | 110.9 | S72 V73 | S72-A77 WeakPolarHBondContact O-CB 3.45Å; S72-A77 PolarHBondContact O-N 3.27Å; V73-A77 WeakPolarHBondContact CA-O 3.41Å | ||
| 78 | P | 93.8 | Very high | 96.5 | Very high | 97 Ų | 97 | 39.9 Ų | 39.9 | 63% | 0.63 | 27% | 0.271 | S | S | * | . | trans | -74 | 138.3 | 179.2 | 29.8 | -34.6 | 0 | 0 | 0 | 111.9 | V80 | P78-V80 HydrophobicContact CB-CG2 4.13Å; P78-V80 PolarHBondContact O-N 3.26Å | ||
| 79 | S | 95.5 | Very high | 96.5 | Very high | 11 Ų | 11 | 39.7 Ų | 39.7 | 8% | 0.077 | 27% | 0.271 | C | S | . | . | trans | -93.7 | 64.9 | 170.6 | -165.5 | 0 | 0 | 0 | 0 | 111 | I68 M246 D274 | I68-S79 WeakPolarHBondContact CG2-OG 3.28Å; S79-M246 VanDerWaalsContact O-CE 3.24Å; S79-M246 WeakPolarHBondContact O-CE 3.38Å; S79-D274 WeakPolarHBondContact CB-O 3.32Å | ||
| 80 | V | 95.3 | Very high | 96.5 | Very high | 80 Ų | 80 | 39.8 Ų | 39.8 | 49% | 0.485 | 27% | 0.271 | S | S | . | . | trans | -112.9 | 114.8 | -177.1 | 178.5 | 0 | 0 | 0 | 0 | 110.5 | P78 T82 | P78-V80 HydrophobicContact CB-CG2 4.13Å; P78-V80 PolarHBondContact O-N 3.26Å; V80-T82 HydrophobicContact CG1-CG2 4.32Å | ||
| 81 | L | 97.6 | Very high | 96.6 | Very high | 20 Ų | 20 | 38.5 Ų | 38.5 | 11% | 0.105 | 27% | 0.265 | C | S | . | . | trans | -85.2 | 120.4 | 177.4 | -167.8 | 64.7 | 0 | 0 | 0 | 111.3 | I68 T86 I88 T112 K115 L245 M246 | I68-L81 HydrophobicContact CD1-CB 4.32Å; I68-L81 HydrophobicContact CD1-CD1 4.09Å; L81-T86 HydrophobicContact CD1-CG2 4.13Å; L81-I88 HydrophobicContact CD1-CD1 4.04Å; L81-T112 HydrophobicContact CD1-CG2 4.44Å; L81-T112 WeakPolarHBondContact CD1-OG1 3.36Å; L81-K115 HydrophobicContact CD2-CB 4.05Å; L81-K115 HydrophobicContact CD2-CG 4.31Å; L81-K115 HydrophobicContact CG-CB 4.38Å; L81-K115 HydrophobicContact CG-CG 4.15Å; L81-K115 WeakPolarHBondContact O-CE 3.4Å; L81-L245 HydrophobicContact CD2-CD2 4.15Å; L81-M246 HydrophobicContact CB-CE 4.34Å; L81-M246 HydrophobicContact CB-CG 4.4Å; L81-M246 HydrophobicContact CB-SD 3.99Å; L81-M246 HydrophobicContact CD2-SD 4.27Å | ||
| 82 | T | 97.6 | Very high | 96.7 | Very high | 38 Ų | 38 | 37.7 Ų | 37.7 | 23% | 0.233 | 26% | 0.261 | C | S | . | . | trans | -111.1 | -178.1 | 179.7 | 70.1 | 0 | 0 | 0 | 0 | 111.7 | R66 V80 D84 K115 | R66-T82 WeakPolarHBondContact CD-OG1 3.37Å; V80-T82 HydrophobicContact CG1-CG2 4.32Å; T82-D84 VanDerWaalsContact C-N 3.26Å; T82-D84 WeakPolarHBondContact OG1-CB 3.28Å; T82-D84 PolarHBondContact OG1-N 2.69Å; T82-K115 WeakPolarHBondContact O-CG 2.86Å | ||
| 83 | D | 98.4 | Very high | 96.8 | Very high | 98 Ų | 98 | 36.5 Ų | 36.5 | 52% | 0.524 | 25% | 0.252 | S | S | . | . | S | Bend | trans | -77.6 | -14 | 174.3 | -65.6 | -14.2 | 0 | 0 | 0 | 113.4 | K114 K115 | D83-K114 HydrophobicContact CB-CG 4.39Å; D83-K114 PolarHBondContact O-N 3.17Å; D83-K115 WeakPolarHBondContact OD1-CE 3.41Å |
| 84 | D | 98.4 | Very high | 96.8 | Very high | 76 Ų | 76 | 35.2 Ų | 35.2 | 41% | 0.406 | 25% | 0.246 | S | C | . | . | S | Bend | trans | -65.3 | 150.3 | 177.3 | -63.8 | -26 | 0 | 0 | 0 | 111.4 | R66 T82 T86 | R66-D84 HydrophobicContact CG-CB 3.89Å; R66-D84 IonicContact NH1-OD2 3.4Å; R66-D84 PolarHBondContact NH1-OD2 3.47Å; T82-D84 VanDerWaalsContact C-N 3.26Å; T82-D84 WeakPolarHBondContact OG1-CB 3.28Å; T82-D84 PolarHBondContact OG1-N 2.69Å; D84-T86 PolarHBondContact O-N 2.72Å; D84-T86 PolarHBondContact O-OG1 3.27Å |
| 85 | P | 98.7 | Very high | 96.8 | Very high | 28 Ų | 28 | 32.5 Ų | 32.5 | 18% | 0.182 | 22% | 0.223 | C | C | . | . | trans | -50.7 | 115.8 | 169.1 | -27.4 | 36.3 | 0 | 0 | 0 | 111.6 | W5 H65 R66 F111 T112 V113 | W5-P85 HydrophobicContact CH2-CG 4.15Å; H65-P85 CarbonylContact C-O 3.54Å; H65-P85 WeakPolarHBondContact CA-O 3.38Å; H65-P85 HydrophobicContact CB-CB 4.47Å; H65-P85 WeakPolarHBondContact CB-O 3.5Å; R66-P85 PolarHBondContact N-O 3Å; P85-F111 HydrophobicContact CB-CE2 3.91Å; P85-F111 HydrophobicContact CB-CZ 3.72Å; P85-T112 WeakPolarHBondContact CA-O 3.26Å; P85-V113 HydrophobicContact CB-CG2 4.36Å; P85-V113 HydrophobicContact CG-CG2 4.35Å | ||
| 86 | T | 98.9 | Very high | 96.9 | Very high | 1 Ų | 1 | 30.3 Ų | 30.3 | 1% | 0.006 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 129.4 | -172.9 | -54.9 | 0 | 0 | 0 | 0 | 110.2 | R66 I68 L81 D84 I88 F111 T112 | R66-T86 HydrophobicContact CB-CG2 4.06Å; R66-T86 WeakPolarHBondContact O-CA 3.44Å; I68-T86 HydrophobicContact CD1-CG2 4.14Å; I68-T86 HydrophobicContact CG1-CG2 4Å; L81-T86 HydrophobicContact CD1-CG2 4.13Å; D84-T86 PolarHBondContact O-N 2.72Å; D84-T86 PolarHBondContact O-OG1 3.27Å; T86-I88 HydrophobicContact CG2-CG1 4.31Å; T86-F111 WeakPolarHBondContact O-CA 3.49Å; T86-T112 WeakPolarHBondContact CB-OG1 3.41Å; T86-T112 PolarHBondContact N-O 3.47Å; T86-T112 PolarHBondContact O-N 2.91Å; T86-T112 PolarHBondContact O-OG1 3Å |
| 87 | W | 98.9 | Very high | 97 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 123 | 171 | -52.2 | 92.5 | 0 | 0 | 0 | 108.9 | C8 C12 L58 Y62 H65 R66 F67 I68 I89 I109 F111 F119 | C8-W87 HydrophobicContact CB-CH2 3.76Å; C8-W87 HydrophobicContact CB-CZ2 4.25Å; C12-W87 HydrophobicContact CB-CH2 4.22Å; C12-W87 HydrophobicContact CB-CZ3 3.71Å; L58-W87 HydrophobicContact CD1-CB 4.32Å; L58-W87 HydrophobicContact CD1-CD2 3.72Å; L58-W87 HydrophobicContact CD1-CE3 3.77Å; L58-W87 HydrophobicContact CD1-CG 3.98Å; L58-W87 HydrophobicContact CD1-CZ3 4.29Å; L58-W87 HydrophobicContact CD2-CD2 4.31Å; L58-W87 HydrophobicContact CD2-CE3 4.19Å; L58-W87 HydrophobicContact CD2-CH2 3.74Å; L58-W87 HydrophobicContact CD2-CZ2 3.89Å; L58-W87 HydrophobicContact CD2-CZ3 3.9Å; L58-W87 HydrophobicContact CG-CD2 4.47Å; Y62-W87 HydrophobicContact CD2-CH2 4.36Å; Y62-W87 AromaticContact CD2-CZ2 3.58Å; Y62-W87 HydrophobicContact CD2-CZ2 3.58Å; Y62-W87 HydrophobicContact CE2-CH2 4.25Å; Y62-W87 AromaticContact CE2-CZ2 3.89Å; Y62-W87 HydrophobicContact CE2-CZ2 3.89Å; Y62-W87 HydrophobicContact CG-CZ2 4.26Å; H65-W87 VanDerWaalsContact CB-NE1 3.35Å; H65-W87 AromaticContact CG-NE1 3.58Å; H65-W87 AromaticContact ND1-CE2 3.52Å; H65-W87 AromaticContact ND1-CZ2 3.62Å; H65-W87 AromaticContact ND1-NE1 3.05Å; H65-W87 PolarHBondContact ND1-NE1 3.44Å; R66-W87 PolarHBondContact O-N 3.38Å; F67-W87 CarbonylContact C-O 3.58Å; F67-W87 WeakPolarHBondContact CA-O 3.31Å; F67-W87 HydrophobicContact CD1-CB 3.8Å; F67-W87 AromaticContact CD1-CD1 3.84Å; F67-W87 HydrophobicContact CD1-CG 4.11Å; F67-W87 HydrophobicContact CE1-CB 3.99Å; F67-W87 AromaticContact CE1-CD1 3.31Å; F67-W87 AromaticContact CE1-CG 3.8Å; F67-W87 HydrophobicContact CE1-CG 3.8Å; F67-W87 AromaticContact CZ-CD1 3.66Å; I68-W87 PolarHBondContact N-O 2.9Å; W87-I89 HydrophobicContact CB-CD1 4.06Å; W87-I89 HydrophobicContact CB-CG1 4.31Å; W87-I109 HydrophobicContact CE3-CG2 4.22Å; W87-F111 AromaticContact CD2-CD2 3.61Å; W87-F111 HydrophobicContact CD2-CD2 3.61Å; W87-F111 HydrophobicContact CD2-CE2 4.05Å; W87-F111 AromaticContact CE2-CD2 3.81Å; W87-F111 AromaticContact CE2-CE2 3.76Å; W87-F111 HydrophobicContact CE3-CB 4.3Å; W87-F111 AromaticContact CE3-CD2 3.67Å; W87-F111 HydrophobicContact CE3-CD2 3.67Å; W87-F111 HydrophobicContact CE3-CE2 4.43Å; W87-F111 HydrophobicContact CE3-CG 4.36Å; W87-F111 HydrophobicContact CG-CD2 4.2Å; W87-F111 HydrophobicContact CH2-CD2 4.14Å; W87-F111 HydrophobicContact CH2-CE2 4.32Å; W87-F111 HydrophobicContact CZ2-CD2 4.06Å; W87-F111 AromaticContact CZ2-CE2 3.89Å; W87-F111 HydrophobicContact CZ2-CE2 3.89Å; W87-F111 HydrophobicContact CZ3-CB 4.45Å; W87-F111 AromaticContact CZ3-CD2 3.94Å; W87-F111 HydrophobicContact CZ3-CD2 3.94Å; W87-F111 HydrophobicContact CZ3-CG 4.41Å; W87-F119 HydrophobicContact CE3-CZ 4.46Å; W87-F119 AromaticContact CH2-CZ 3.96Å; W87-F119 HydrophobicContact CH2-CZ 3.96Å; W87-F119 AromaticContact CZ3-CE2 3.95Å; W87-F119 HydrophobicContact CZ3-CE2 3.95Å; W87-F119 AromaticContact CZ3-CZ 3.58Å; W87-F119 HydrophobicContact CZ3-CZ 3.58Å |
| 88 | I | 98.9 | Very high | 97 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 117.5 | 177.6 | -49.6 | 177.8 | 0 | 0 | 0 | 107.1 | I68 L81 T86 I109 G110 T112 C218 W219 A222 L245 | I68-I88 HydrophobicContact CB-CG1 4.43Å; I68-I88 HydrophobicContact CB-CG2 4.29Å; I68-I88 HydrophobicContact CD1-CG1 4.47Å; I68-I88 HydrophobicContact CG2-CG2 4.43Å; I68-I88 CarbonylContact O-C 3.6Å; I68-I88 VanDerWaalsContact O-CA 3.26Å; I68-I88 WeakPolarHBondContact O-CA 3.47Å; L81-I88 HydrophobicContact CD1-CD1 4.04Å; T86-I88 HydrophobicContact CG2-CG1 4.31Å; I88-I109 CarbonylContact O-C 3.56Å; I88-I109 WeakPolarHBondContact O-CA 3.4Å; I88-G110 PolarHBondContact N-O 2.98Å; I88-G110 PolarHBondContact O-N 3.12Å; I88-T112 HydrophobicContact CD1-CG2 3.73Å; I88-T112 HydrophobicContact CG1-CG2 4.48Å; I88-C218 HydrophobicContact CG2-CB 4.32Å; I88-W219 HydrophobicContact CG2-CB 3.98Å; I88-A222 HydrophobicContact CB-CB 3.94Å; I88-A222 HydrophobicContact CD1-CB 4.01Å; I88-A222 HydrophobicContact CG2-CB 4.09Å; I88-L245 HydrophobicContact CD1-CD2 3.61Å |
| 89 | I | 98.9 | Very high | 97 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 125.8 | -162.2 | -61.1 | 155.3 | 0 | 0 | 0 | 109.8 | I54 I55 L58 F67 I68 G69 E70 W87 I109 W219 | I54-I89 HydrophobicContact CD1-CG2 4.04Å; I54-I89 HydrophobicContact CG2-CD1 3.73Å; I54-I89 HydrophobicContact CG2-CG1 4.11Å; I54-I89 HydrophobicContact CG2-CG2 4.13Å; I55-I89 HydrophobicContact CD1-CD1 4.41Å; I55-I89 HydrophobicContact CG1-CD1 3.66Å; L58-I89 HydrophobicContact CD1-CD1 4.31Å; F67-I89 HydrophobicContact CD1-CD1 4Å; I68-I89 PolarHBondContact O-N 3.26Å; G69-I89 WeakPolarHBondContact CA-O 2.88Å; E70-I89 PolarHBondContact N-O 2.99Å; W87-I89 HydrophobicContact CB-CD1 4.06Å; W87-I89 HydrophobicContact CB-CG1 4.31Å; I89-I109 HydrophobicContact CG1-CG1 4.37Å; I89-I109 HydrophobicContact CG1-CG2 4.15Å; I89-I109 HydrophobicContact CG2-CG1 4.48Å; I89-W219 WeakPolarHBondContact O-CB 3.18Å |
| 90 | D | 98.7 | Very high | 96.9 | Very high | 1 Ų | 1 | 28.3 Ų | 28.3 | 1% | 0.005 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 113.9 | 158.1 | -173.3 | -32.5 | 0 | 0 | 0 | 107.5 | I92 D93 S108 W219 | D90-I92 PolarHBondContact OD1-N 3.32Å; D90-D93 PolarHBondContact OD1-N 3.32Å; D90-D93 WeakPolarHBondContact OD2-CA 3.47Å; D90-D93 VanDerWaalsContact OD2-CB 3.27Å; D90-D93 WeakPolarHBondContact OD2-CB 3.41Å; D90-S108 PolarHBondContact N-O 3.44Å; D90-S108 PolarHBondContact O-N 3.39Å; D90-W219 HydrophobicContact CB-CB 4.03Å; D90-W219 HydrophobicContact CB-CG 4.39Å |
| 91 | P | 98.3 | Very high | 96.8 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | -33 | -178.9 | 30.1 | -35.4 | 0 | 0 | 0 | 113.2 | D47 V50 E51 E71 | D47-P91 HydrophobicContact CB-CG 4.35Å; D47-P91 WeakPolarHBondContact O-CB 3.36Å; V50-P91 HydrophobicContact CB-CB 3.98Å; V50-P91 HydrophobicContact CG1-CB 3.72Å; V50-P91 WeakPolarHBondContact CG1-O 3.35Å; E51-P91 HydrophobicContact CB-CB 3.84Å; E51-P91 HydrophobicContact CB-CG 3.99Å; E71-P91 HydrophobicContact CG-CG 3.99Å |
| 92 | I | 98.2 | Very high | 96.7 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.4 | 84.2 | -179 | -55 | -172.6 | 0 | 0 | 0 | 109 | I23 T46 D47 D90 G94 T95 F98 V105 S106 | I23-I92 HydrophobicContact CD1-CD1 4.31Å; I23-I92 HydrophobicContact CD1-CG1 3.85Å; I23-I92 HydrophobicContact CG1-CD1 4.04Å; I23-I92 HydrophobicContact CG1-CG1 4.13Å; T46-I92 HydrophobicContact CG2-CD1 3.82Å; D47-I92 HydrophobicContact CB-CD1 4.31Å; D47-I92 HydrophobicContact CB-CG1 4.48Å; D47-I92 WeakPolarHBondContact OD1-CB 3.39Å; D90-I92 PolarHBondContact OD1-N 3.32Å; I92-G94 PolarHBondContact O-N 3.11Å; I92-T95 PolarHBondContact O-N 3.16Å; I92-T95 PolarHBondContact O-OG1 2.84Å; I92-T95 VanDerWaalsContact O-OG1 3.1Å; I92-F98 HydrophobicContact CG2-CB 4.04Å; I92-F98 HydrophobicContact CG2-CG 4.32Å; I92-V105 HydrophobicContact CG2-CG1 3.52Å; I92-S106 CarbonylContact C-O 3.49Å; I92-S106 WeakPolarHBondContact CA-O 3.3Å |
| 93 | D | 97.8 | Very high | 96.6 | Very high | 12 Ų | 12 | 35.3 Ų | 35.3 | 6% | 0.064 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 124.4 | 170.5 | 176 | 24.2 | 0 | 0 | 0 | 108.4 | D90 S106 S195 A196 A197 | D90-D93 PolarHBondContact OD1-N 3.32Å; D90-D93 WeakPolarHBondContact OD2-CA 3.47Å; D90-D93 VanDerWaalsContact OD2-CB 3.27Å; D90-D93 WeakPolarHBondContact OD2-CB 3.41Å; D93-S106 PolarHBondContact N-O 2.89Å; D93-S106 PolarHBondContact O-N 3.29Å; D93-S195 VanDerWaalsContact CG-OG 3.29Å; D93-S195 VanDerWaalsContact OD2-C 3.29Å; D93-S195 WeakPolarHBondContact OD2-CA 3.48Å; D93-S195 WeakPolarHBondContact OD2-CB 3.29Å; D93-S195 PolarHBondContact OD2-OG 3.31Å; D93-A196 PolarHBondContact OD1-N 3.3Å; D93-A196 PolarHBondContact OD2-N 3.02Å; D93-A197 HydrophobicContact CB-CB 4.37Å; D93-A197 WeakPolarHBondContact OD2-CA 3.39Å; D93-A197 WeakPolarHBondContact OD2-CB 3.35Å; D93-A197 PolarHBondContact OD2-N 2.87Å |
| 94 | G | 95.2 | Very high | 96.5 | Very high | 9 Ų | 9 | 32.8 Ų | 32.8 | 9% | 0.093 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 88.3 | 43.4 | -169.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | I92 T96 N97 F98 G194 | I92-G94 PolarHBondContact O-N 3.11Å; G94-T96 PolarHBondContact O-N 2.72Å; G94-N97 CarbonylContact O-C 3.53Å; G94-N97 WeakPolarHBondContact O-CA 3.41Å; G94-N97 VanDerWaalsContact O-CB 3.24Å; G94-N97 WeakPolarHBondContact O-CB 3.45Å; G94-N97 PolarHBondContact O-N 2.82Å; G94-F98 PolarHBondContact O-N 3.08Å; G94-G194 WeakPolarHBondContact CA-O 3.41Å |
| 95 | T | 93.3 | Very high | 96.5 | Very high | 12 Ų | 12 | 29.2 Ų | 29.2 | 7% | 0.074 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -52.8 | -38.6 | 174.6 | -47.2 | 0 | 0 | 0 | 0 | 112.8 | L42 T44 D47 I92 N97 F98 V99 | L42-T95 HydrophobicContact CB-CG2 4.34Å; L42-T95 WeakPolarHBondContact O-CG2 3.5Å; T44-T95 HydrophobicContact CG2-CG2 4.18Å; D47-T95 VanDerWaalsContact OD1-CG2 3.28Å; D47-T95 WeakPolarHBondContact OD1-CG2 3.27Å; D47-T95 PolarHBondContact OD1-OG1 2.86Å; I92-T95 PolarHBondContact O-N 3.16Å; I92-T95 PolarHBondContact O-OG1 2.84Å; I92-T95 VanDerWaalsContact O-OG1 3.1Å; T95-N97 VanDerWaalsContact C-N 3.33Å; T95-N97 PolarHBondContact O-N 3.32Å; T95-F98 WeakPolarHBondContact O-CB 3.24Å; T95-F98 PolarHBondContact O-N 2.86Å; T95-F98 VanDerWaalsContact O-N 3.15Å; T95-V99 WeakPolarHBondContact O-CG2 3.43Å; T95-V99 PolarHBondContact O-N 3.33Å |
| 96 | T | 93.6 | Very high | 96.5 | Very high | 44 Ų | 44 | 27.9 Ų | 27.9 | 27% | 0.27 | 14% | 0.136 | S | C | . | . | H | α-helix | trans | -60.5 | -42.5 | 173 | -63.8 | 0 | 0 | 0 | 0 | 111.7 | G94 F98 V99 H100 | G94-T96 PolarHBondContact O-N 2.72Å; T96-F98 VanDerWaalsContact C-N 3.34Å; T96-F98 PolarHBondContact O-N 3.24Å; T96-V99 PolarHBondContact O-N 2.83Å; T96-H100 PolarHBondContact O-CD2 3.09Å; T96-H100 VanDerWaalsContact O-CD2 3.28Å; T96-H100 PolarHBondContact O-N 3.1Å |
| 97 | N | 95.8 | Very high | 96.5 | Very high | 18 Ų | 18 | 27.8 Ų | 27.8 | 10% | 0.096 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -62.5 | -42.7 | 173.8 | -73.7 | -12 | 0 | 0 | 0 | 111.4 | G94 T95 V99 H100 R101 F102 F104 V105 P193 G194 | G94-N97 CarbonylContact O-C 3.53Å; G94-N97 WeakPolarHBondContact O-CA 3.41Å; G94-N97 VanDerWaalsContact O-CB 3.24Å; G94-N97 WeakPolarHBondContact O-CB 3.45Å; G94-N97 PolarHBondContact O-N 2.82Å; T95-N97 VanDerWaalsContact C-N 3.33Å; T95-N97 PolarHBondContact O-N 3.32Å; N97-V99 PolarHBondContact O-N 3.4Å; N97-H100 CarbonylContact O-C 3.6Å; N97-H100 PolarHBondContact O-N 3.31Å; N97-R101 CarbonylContact O-C 3.49Å; N97-R101 WeakPolarHBondContact O-CA 3.01Å; N97-R101 PolarHBondContact O-N 3.13Å; N97-F102 HydrophobicContact CB-CB 3.85Å; N97-F102 HydrophobicContact CB-CD1 4.37Å; N97-F102 PolarHBondContact O-N 2.87Å; N97-F102 WeakPolarHBondContact OD1-CD1 3.49Å; N97-F104 VanDerWaalsContact CB-O 3.22Å; N97-F104 WeakPolarHBondContact CB-O 3.49Å; N97-F104 PolarHBondContact ND2-O 3.37Å; N97-V105 HydrophobicContact CB-CG2 4.03Å; N97-P193 PolarHBondContact ND2-O 3.25Å; N97-G194 PolarHBondContact ND2-O 3.42Å |
| 98 | F | 95.4 | Very high | 96.5 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -58.9 | -48.2 | 176.8 | 174.6 | -100.6 | 0 | 0 | 0 | 111.9 | I23 A26 L27 I31 T44 T46 I92 G94 T95 T96 H100 R101 V105 | I23-F98 HydrophobicContact CG2-CD2 4Å; I23-F98 HydrophobicContact CG2-CE2 3.92Å; A26-F98 HydrophobicContact CB-CE2 4.2Å; A26-F98 HydrophobicContact CB-CZ 3.79Å; L27-F98 HydrophobicContact CD1-CD2 4.48Å; L27-F98 HydrophobicContact CD2-CD2 3.46Å; L27-F98 VanDerWaalsContact CD2-CD2 3.46Å; L27-F98 HydrophobicContact CD2-CE2 3.6Å; L27-F98 HydrophobicContact CD2-CG 4.27Å; L27-F98 HydrophobicContact CD2-CZ 4.47Å; L27-F98 HydrophobicContact CG-CD2 3.85Å; L27-F98 HydrophobicContact CG-CE2 3.63Å; I31-F98 HydrophobicContact CD1-CD1 4.23Å; I31-F98 HydrophobicContact CD1-CE1 3.84Å; I31-F98 HydrophobicContact CD1-CZ 4.04Å; I31-F98 HydrophobicContact CG1-CE1 4.24Å; I31-F98 HydrophobicContact CG1-CZ 4.39Å; I31-F98 HydrophobicContact CG2-CD1 4.45Å; I31-F98 HydrophobicContact CG2-CE1 3.84Å; T44-F98 HydrophobicContact CG2-CD1 3.92Å; T44-F98 HydrophobicContact CG2-CE1 3.9Å; T44-F98 WeakPolarHBondContact OG1-CE1 3.49Å; T46-F98 HydrophobicContact CG2-CZ 3.99Å; I92-F98 HydrophobicContact CG2-CB 4.04Å; I92-F98 HydrophobicContact CG2-CG 4.32Å; G94-F98 PolarHBondContact O-N 3.08Å; T95-F98 WeakPolarHBondContact O-CB 3.24Å; T95-F98 PolarHBondContact O-N 2.86Å; T95-F98 VanDerWaalsContact O-N 3.15Å; T96-F98 VanDerWaalsContact C-N 3.34Å; T96-F98 PolarHBondContact O-N 3.24Å; F98-H100 VanDerWaalsContact C-N 3.3Å; F98-H100 PolarHBondContact O-N 3.09Å; F98-R101 PolarHBondContact O-N 2.99Å; F98-R101 VanDerWaalsContact O-N 3.15Å; F98-V105 HydrophobicContact CB-CG1 4.09Å; F98-V105 HydrophobicContact CB-CG2 3.91Å; F98-V105 HydrophobicContact CD2-CG1 4.25Å |
| 99 | V | 93 | Very high | 96.5 | Very high | 16 Ų | 16 | 27.8 Ų | 27.8 | 10% | 0.097 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -58.4 | -42.3 | 176.8 | 167.8 | 0 | 0 | 0 | 0 | 111.7 | I33 L42 T44 T95 T96 N97 R101 | I33-V99 HydrophobicContact CD1-CG1 3.48Å; I33-V99 VanDerWaalsContact CD1-CG1 3.48Å; I33-V99 HydrophobicContact CG1-CG1 3.99Å; I33-V99 HydrophobicContact CG1-CG2 4.1Å; L42-V99 HydrophobicContact CD1-CB 4.32Å; L42-V99 HydrophobicContact CD1-CG1 4.25Å; L42-V99 HydrophobicContact CD1-CG2 4.13Å; T44-V99 HydrophobicContact CG2-CG2 3.83Å; T95-V99 WeakPolarHBondContact O-CG2 3.43Å; T95-V99 PolarHBondContact O-N 3.33Å; T96-V99 PolarHBondContact O-N 2.83Å; N97-V99 PolarHBondContact O-N 3.4Å; V99-R101 VanDerWaalsContact C-N 3.35Å |
| 100 | H | 93.9 | Very high | 96.5 | Very high | 141 Ų | 141 | 27.8 Ų | 27.8 | 65% | 0.653 | 14% | 0.135 | S | C | * | . | H | α-helix | trans | -87.4 | 0.1 | -179.6 | -75.9 | -82.1 | 0 | 0 | 0 | 114.5 | T96 N97 F98 F102 | T96-H100 PolarHBondContact O-CD2 3.09Å; T96-H100 VanDerWaalsContact O-CD2 3.28Å; T96-H100 PolarHBondContact O-N 3.1Å; N97-H100 CarbonylContact O-C 3.6Å; N97-H100 PolarHBondContact O-N 3.31Å; F98-H100 VanDerWaalsContact C-N 3.3Å; F98-H100 PolarHBondContact O-N 3.09Å; H100-F102 PolarHBondContact O-N 3.4Å |
| 101 | R | 93.4 | Very high | 96.5 | Very high | 133 Ų | 133 | 27.8 Ų | 27.8 | 50% | 0.502 | 14% | 0.135 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.5 | 30 | -172.6 | -53.2 | -178.5 | 173.2 | 82.8 | -2.2 | 113.2 | L27 K29 N97 F98 V99 | L27-R101 HydrophobicContact CD2-CG 4.23Å; L27-R101 PolarHBondContact O-NE 2.93Å; K29-R101 PolarHBondContact O-NH2 2.84Å; N97-R101 CarbonylContact O-C 3.49Å; N97-R101 WeakPolarHBondContact O-CA 3.01Å; N97-R101 PolarHBondContact O-N 3.13Å; F98-R101 PolarHBondContact O-N 2.99Å; F98-R101 VanDerWaalsContact O-N 3.15Å; V99-R101 VanDerWaalsContact C-N 3.35Å |
| 102 | F | 96.3 | Very high | 96.5 | Very high | 94 Ų | 94 | 27.8 Ų | 27.8 | 41% | 0.412 | 14% | 0.135 | S | C | . | . | trans | -71.8 | 139.6 | 171.2 | -164.4 | -105.4 | 0 | 0 | 0 | 109.4 | N97 H100 F104 P193 | N97-F102 HydrophobicContact CB-CB 3.85Å; N97-F102 HydrophobicContact CB-CD1 4.37Å; N97-F102 PolarHBondContact O-N 2.87Å; N97-F102 WeakPolarHBondContact OD1-CD1 3.49Å; H100-F102 PolarHBondContact O-N 3.4Å; F102-F104 AromaticContact CD1-CD2 3.87Å; F102-F104 HydrophobicContact CD1-CD2 3.87Å; F102-F104 AromaticContact CE1-CD2 3.47Å; F102-F104 HydrophobicContact CE1-CD2 3.47Å; F102-F104 VanDerWaalsContact CE1-CD2 3.47Å; F102-F104 AromaticContact CE1-CE2 3.96Å; F102-F104 HydrophobicContact CE1-CE2 3.96Å; F102-F104 HydrophobicContact CZ-CD2 4.34Å; F102-F104 HydrophobicContact CZ-CE2 4.42Å; F102-F104 PolarHBondContact O-N 3.34Å; F102-P193 WeakPolarHBondContact CE1-O 3.17Å | ||
| 103 | P | 94.6 | Very high | 96.5 | Very high | 58 Ų | 58 | 28.8 Ų | 28.8 | 38% | 0.377 | 14% | 0.141 | S | C | . | . | S | Bend | trans | -78.3 | 11.1 | -158.8 | 31.5 | -37.4 | 0 | 0 | 0 | 115.9 | I126 | P103-I126 HydrophobicContact CB-CG2 4.2Š|
| 104 | F | 97.1 | Very high | 96.6 | Very high | 46 Ų | 46 | 35.4 Ų | 35.4 | 20% | 0.202 | 17% | 0.169 | C | C | . | . | trans | -116.3 | 94.7 | 177.2 | -58.1 | -73 | 0 | 0 | 0 | 109.9 | N97 F102 P193 V198 | N97-F104 VanDerWaalsContact CB-O 3.22Å; N97-F104 WeakPolarHBondContact CB-O 3.49Å; N97-F104 PolarHBondContact ND2-O 3.37Å; F102-F104 AromaticContact CD1-CD2 3.87Å; F102-F104 HydrophobicContact CD1-CD2 3.87Å; F102-F104 AromaticContact CE1-CD2 3.47Å; F102-F104 HydrophobicContact CE1-CD2 3.47Å; F102-F104 VanDerWaalsContact CE1-CD2 3.47Å; F102-F104 AromaticContact CE1-CE2 3.96Å; F102-F104 HydrophobicContact CE1-CE2 3.96Å; F102-F104 HydrophobicContact CZ-CD2 4.34Å; F102-F104 HydrophobicContact CZ-CE2 4.42Å; F102-F104 PolarHBondContact O-N 3.34Å; F104-P193 HydrophobicContact CD2-CB 3.96Å; F104-P193 HydrophobicContact CE2-CB 4.31Å; F104-P193 HydrophobicContact CG-CB 4.12Å; F104-V198 HydrophobicContact CD1-CG1 3.88Å; F104-V198 HydrophobicContact CG-CG1 4.5Å | ||
| 105 | V | 97.8 | Very high | 96.7 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 19% | 0.19 | C | C | . | . | trans | -135.7 | 127.7 | 178.1 | 179 | 0 | 0 | 0 | 0 | 107 | I23 I92 N97 F98 C125 I126 | I23-V105 HydrophobicContact CG2-CG1 4Å; I92-V105 HydrophobicContact CG2-CG1 3.52Å; N97-V105 HydrophobicContact CB-CG2 4.03Å; F98-V105 HydrophobicContact CB-CG1 4.09Å; F98-V105 HydrophobicContact CB-CG2 3.91Å; F98-V105 HydrophobicContact CD2-CG1 4.25Å; V105-C125 PolarHBondContact O-N 3.23Å; V105-I126 HydrophobicContact CB-CD1 4.26Å; V105-I126 HydrophobicContact CG2-CD1 3.92Å | ||
| 106 | S | 98.5 | Very high | 96.9 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 153.7 | -175.3 | 74.6 | 0 | 0 | 0 | 0 | 115.1 | I92 D93 Y123 S195 | I92-S106 CarbonylContact C-O 3.49Å; I92-S106 WeakPolarHBondContact CA-O 3.3Å; D93-S106 PolarHBondContact N-O 2.89Å; D93-S106 PolarHBondContact O-N 3.29Å; S106-Y123 CarbonylContact C-O 3.56Å; S106-Y123 WeakPolarHBondContact CA-O 3.49Å; S106-Y123 VanDerWaalsContact CB-O 3.32Å; S106-Y123 WeakPolarHBondContact CB-O 3.19Å; S106-S195 PolarHBondContact OG-OG 2.96Å |
| 107 | V | 98.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 129 | 163 | -179.1 | 0 | 0 | 0 | 0 | 106.8 | T16 A19 I23 I54 I109 V122 Y123 | T16-V107 HydrophobicContact CG2-CB 4.09Å; T16-V107 HydrophobicContact CG2-CG1 3.98Å; A19-V107 HydrophobicContact CB-CG1 4.5Å; A19-V107 HydrophobicContact CB-CG2 4.04Å; I23-V107 HydrophobicContact CD1-CG2 3.4Å; I54-V107 HydrophobicContact CD1-CG1 3.81Å; V107-I109 HydrophobicContact CG1-CD1 4.3Å; V107-I109 HydrophobicContact CG1-CG1 4.18Å; V107-V122 CarbonylContact O-C 3.51Å; V107-V122 WeakPolarHBondContact O-CA 3.04Å; V107-Y123 PolarHBondContact N-O 3.37Å; V107-Y123 VanDerWaalsContact N-O 3.07Å; V107-Y123 PolarHBondContact O-N 3.47Å |
| 108 | S | 98.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 127.6 | 177 | 175.6 | 0 | 0 | 0 | 0 | 110.3 | D90 W219 | D90-S108 PolarHBondContact N-O 3.44Å; D90-S108 PolarHBondContact O-N 3.39Å; S108-W219 PolarHBondContact OG-O 3.17Å |
| 109 | I | 98.9 | Very high | 97.5 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 117.8 | 176.5 | -52.8 | 178 | 0 | 0 | 0 | 109.3 | T16 I54 W87 I88 I89 V107 G120 I121 | T16-I109 WeakPolarHBondContact OG1-CD1 3.32Å; I54-I109 HydrophobicContact CD1-CD1 4.24Å; I54-I109 HydrophobicContact CG2-CD1 3.77Å; W87-I109 HydrophobicContact CE3-CG2 4.22Å; I88-I109 CarbonylContact O-C 3.56Å; I88-I109 WeakPolarHBondContact O-CA 3.4Å; I89-I109 HydrophobicContact CG1-CG1 4.37Å; I89-I109 HydrophobicContact CG1-CG2 4.15Å; I89-I109 HydrophobicContact CG2-CG1 4.48Å; V107-I109 HydrophobicContact CG1-CD1 4.3Å; V107-I109 HydrophobicContact CG1-CG1 4.18Å; I109-G120 CarbonylContact O-C 3.58Å; I109-G120 WeakPolarHBondContact O-CA 3.13Å; I109-I121 PolarHBondContact N-O 3.11Å; I109-I121 PolarHBondContact O-N 3.34Å |
| 110 | G | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 147.2 | 166 | 0 | 0 | 0 | 0 | 0 | 111.3 | I88 | I88-G110 PolarHBondContact N-O 2.98Å; I88-G110 PolarHBondContact O-N 3.12Å |
| 111 | F | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 125.4 | 172.2 | -179.1 | -106.1 | 0 | 0 | 0 | 110.2 | W5 H65 P85 T86 W87 V113 E118 F119 | W5-F111 HydrophobicContact CB-CE1 4.35Å; W5-F111 AromaticContact CD2-CE1 3.93Å; W5-F111 HydrophobicContact CD2-CE1 3.93Å; W5-F111 HydrophobicContact CD2-CZ 4.48Å; W5-F111 AromaticContact CE3-CE1 3.89Å; W5-F111 HydrophobicContact CE3-CE1 3.89Å; W5-F111 HydrophobicContact CE3-CZ 4.01Å; W5-F111 HydrophobicContact CG-CE1 4.12Å; W5-F111 HydrophobicContact CZ3-CZ 4.26Å; H65-F111 AromaticContact CE1-CE2 3.92Å; H65-F111 AromaticContact CE1-CZ 3.91Å; H65-F111 AromaticContact ND1-CE2 3.61Å; P85-F111 HydrophobicContact CB-CE2 3.91Å; P85-F111 HydrophobicContact CB-CZ 3.72Å; T86-F111 WeakPolarHBondContact O-CA 3.49Å; W87-F111 AromaticContact CD2-CD2 3.61Å; W87-F111 HydrophobicContact CD2-CD2 3.61Å; W87-F111 HydrophobicContact CD2-CE2 4.05Å; W87-F111 AromaticContact CE2-CD2 3.81Å; W87-F111 AromaticContact CE2-CE2 3.76Å; W87-F111 HydrophobicContact CE3-CB 4.3Å; W87-F111 AromaticContact CE3-CD2 3.67Å; W87-F111 HydrophobicContact CE3-CD2 3.67Å; W87-F111 HydrophobicContact CE3-CE2 4.43Å; W87-F111 HydrophobicContact CE3-CG 4.36Å; W87-F111 HydrophobicContact CG-CD2 4.2Å; W87-F111 HydrophobicContact CH2-CD2 4.14Å; W87-F111 HydrophobicContact CH2-CE2 4.32Å; W87-F111 HydrophobicContact CZ2-CD2 4.06Å; W87-F111 AromaticContact CZ2-CE2 3.89Å; W87-F111 HydrophobicContact CZ2-CE2 3.89Å; W87-F111 HydrophobicContact CZ3-CB 4.45Å; W87-F111 AromaticContact CZ3-CD2 3.94Å; W87-F111 HydrophobicContact CZ3-CD2 3.94Å; W87-F111 HydrophobicContact CZ3-CG 4.41Å; F111-V113 HydrophobicContact CD1-CG2 4.36Å; F111-V113 HydrophobicContact CE1-CG2 3.63Å; F111-V113 HydrophobicContact CZ-CG2 4.04Å; F111-E118 HydrophobicContact CD1-CB 4.02Å; F111-E118 PolarHBondContact O-N 3.32Å; F111-F119 HydrophobicContact CB-CD1 3.87Å; F111-F119 HydrophobicContact CB-CD2 3.82Å; F111-F119 HydrophobicContact CB-CE1 3.51Å; F111-F119 HydrophobicContact CB-CE2 3.43Å; F111-F119 VanDerWaalsContact CB-CE2 3.43Å; F111-F119 HydrophobicContact CB-CG 4.02Å; F111-F119 HydrophobicContact CB-CZ 3.26Å; F111-F119 AromaticContact CD1-CD1 3.67Å; F111-F119 HydrophobicContact CD1-CD1 3.67Å; F111-F119 AromaticContact CD1-CE1 3.15Å; F111-F119 HydrophobicContact CD1-CE1 3.15Å; F111-F119 AromaticContact CD1-CZ 3.73Å; F111-F119 HydrophobicContact CD1-CZ 3.73Å; F111-F119 HydrophobicContact CD2-CE1 4.4Å; F111-F119 HydrophobicContact CD2-CZ 4.18Å; F111-F119 AromaticContact CE1-CE1 3.89Å; F111-F119 HydrophobicContact CE1-CE1 3.89Å; F111-F119 HydrophobicContact CG-CD1 4.12Å; F111-F119 AromaticContact CG-CE1 3.44Å; F111-F119 HydrophobicContact CG-CE1 3.44Å; F111-F119 VanDerWaalsContact CG-CE1 3.44Å; F111-F119 HydrophobicContact CG-CE2 4.18Å; F111-F119 AromaticContact CG-CZ 3.47Å; F111-F119 HydrophobicContact CG-CZ 3.47Å; F111-F119 VanDerWaalsContact CG-CZ 3.47Å; F111-F119 PolarHBondContact N-O 2.81Å; F111-F119 PolarHBondContact O-N 2.92Å |
| 112 | T | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 145.8 | -177 | 66.9 | 0 | 0 | 0 | 0 | 112 | L81 P85 T86 I88 E116 I117 L245 | L81-T112 HydrophobicContact CD1-CG2 4.44Å; L81-T112 WeakPolarHBondContact CD1-OG1 3.36Å; P85-T112 WeakPolarHBondContact CA-O 3.26Å; T86-T112 WeakPolarHBondContact CB-OG1 3.41Å; T86-T112 PolarHBondContact N-O 3.47Å; T86-T112 PolarHBondContact O-N 2.91Å; T86-T112 PolarHBondContact O-OG1 3Å; I88-T112 HydrophobicContact CD1-CG2 3.73Å; I88-T112 HydrophobicContact CG1-CG2 4.48Å; T112-E116 CarbonylContact C-O 3.57Å; T112-E116 WeakPolarHBondContact CA-O 3.36Å; T112-E116 WeakPolarHBondContact CB-O 3.41Å; T112-I117 HydrophobicContact CG2-CG1 4.02Å; T112-L245 HydrophobicContact CG2-CD2 4.31Å |
| 113 | V | 98.6 | Very high | 98.4 | Very high | 21 Ų | 21 | 27.6 Ų | 27.6 | 13% | 0.127 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 133.9 | 169 | 178.1 | 0 | 0 | 0 | 0 | 107.3 | W5 P85 F111 K115 E116 E118 | W5-V113 HydrophobicContact CD2-CG2 4.46Å; W5-V113 HydrophobicContact CH2-CG2 4.47Å; W5-V113 HydrophobicContact CZ2-CG1 4.27Å; W5-V113 HydrophobicContact CZ2-CG2 3.9Å; P85-V113 HydrophobicContact CB-CG2 4.36Å; P85-V113 HydrophobicContact CG-CG2 4.35Å; F111-V113 HydrophobicContact CD1-CG2 4.36Å; F111-V113 HydrophobicContact CE1-CG2 3.63Å; F111-V113 HydrophobicContact CZ-CG2 4.04Å; V113-K115 PolarHBondContact O-N 3.34Å; V113-E116 PolarHBondContact N-O 2.62Å; V113-E116 PolarHBondContact O-N 2.9Å; V113-E118 HydrophobicContact CB-CG 3.91Å; V113-E118 HydrophobicContact CG2-CG 3.94Å |
| 114 | K | 98.3 | Very high | 98.6 | Very high | 151 Ų | 151 | 24.8 Ų | 24.8 | 66% | 0.657 | 11% | 0.113 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53.8 | 38 | -174.3 | -61.4 | 177.4 | -179.7 | -177.1 | 0 | 112.6 | D83 E116 | D83-K114 HydrophobicContact CB-CG 4.39Å; D83-K114 PolarHBondContact O-N 3.17Å; K114-E116 PolarHBondContact O-N 3.27Å |
| 115 | K | 98.1 | Very high | 98.6 | Very high | 122 Ų | 122 | 22.6 Ų | 22.6 | 53% | 0.53 | 10% | 0.103 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 60 | 11.2 | -176.1 | -50.2 | 175.9 | -176.1 | 177.3 | 0 | 114.8 | L81 T82 D83 V113 | L81-K115 HydrophobicContact CD2-CB 4.05Å; L81-K115 HydrophobicContact CD2-CG 4.31Å; L81-K115 HydrophobicContact CG-CB 4.38Å; L81-K115 HydrophobicContact CG-CG 4.15Å; L81-K115 WeakPolarHBondContact O-CE 3.4Å; T82-K115 WeakPolarHBondContact O-CG 2.86Å; D83-K115 WeakPolarHBondContact OD1-CE 3.41Å; V113-K115 PolarHBondContact O-N 3.34Å |
| 116 | E | 98.2 | Very high | 98.5 | Very high | 109 Ų | 109 | 25.8 Ų | 25.8 | 51% | 0.509 | 12% | 0.12 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 136.7 | 174 | -65.7 | -173.9 | -168 | 0 | 0 | 110 | T112 V113 K114 E118 K135 | T112-E116 CarbonylContact C-O 3.57Å; T112-E116 WeakPolarHBondContact CA-O 3.36Å; T112-E116 WeakPolarHBondContact CB-O 3.41Å; V113-E116 PolarHBondContact N-O 2.62Å; V113-E116 PolarHBondContact O-N 2.9Å; K114-E116 PolarHBondContact O-N 3.27Å; E116-E118 PolarHBondContact O-N 3.24Å; E116-K135 IonicContact OE2-NZ 2.8Å; E116-K135 PolarHBondContact OE2-NZ 3.01Å |
| 117 | I | 98.6 | Very high | 98.4 | Very high | 36 Ų | 36 | 28.7 Ų | 28.7 | 19% | 0.185 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 121 | 176.8 | -58.1 | 168.5 | 0 | 0 | 0 | 109 | T112 A225 A226 F243 L245 | T112-I117 HydrophobicContact CG2-CG1 4.02Å; I117-A225 HydrophobicContact CD1-CB 3.86Å; I117-A226 HydrophobicContact CG2-CB 3.66Å; I117-F243 HydrophobicContact CD1-CE1 4.42Å; I117-L245 HydrophobicContact CD1-CD2 4.33Å; I117-L245 HydrophobicContact CG1-CD2 4.32Å |
| 118 | E | 98.7 | Very high | 98.4 | Very high | 27 Ų | 27 | 32.9 Ų | 32.9 | 13% | 0.126 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | -37.2 | -179.3 | -75.3 | -63.6 | 125.7 | 0 | 0 | 111.7 | F111 V113 E116 R134 K135 | F111-E118 HydrophobicContact CD1-CB 4.02Å; F111-E118 PolarHBondContact O-N 3.32Å; V113-E118 HydrophobicContact CB-CG 3.91Å; V113-E118 HydrophobicContact CG2-CG 3.94Å; E116-E118 PolarHBondContact O-N 3.24Å; E118-R134 WeakPolarHBondContact O-CD 3.4Å; E118-R134 PolarHBondContact O-NH1 2.68Å; E118-R134 IonicContact OE2-CZ 2.79Å; E118-R134 IonicContact OE2-NH1 3.31Å; E118-R134 PolarHBondContact OE2-NH1 3.17Å; E118-R134 IonicContact OE2-NH2 3.89Å; E118-R134 PolarHBondContact OE2-NH2 2.8Å; E118-K135 WeakPolarHBondContact O-CB 3.41Å; E118-K135 PolarHBondContact O-N 3.23Å; E118-K135 IonicContact OE1-NZ 3.54Å; E118-K135 PolarHBondContact OE1-NZ 3.17Å |
| 119 | F | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.9 | 164.8 | 170.2 | 62.5 | -101 | 0 | 0 | 0 | 111.3 | W5 C8 M9 C12 W87 F111 A133 R134 | W5-F119 HydrophobicContact CB-CD1 4.45Å; W5-F119 HydrophobicContact CB-CE1 4.37Å; C8-F119 HydrophobicContact CB-CE1 3.91Å; C8-F119 HydrophobicContact CB-CZ 4Å; M9-F119 HydrophobicContact CB-CD1 3.98Å; M9-F119 HydrophobicContact CB-CD2 4.08Å; M9-F119 HydrophobicContact CB-CE1 3.98Å; M9-F119 HydrophobicContact CB-CE2 4.09Å; M9-F119 HydrophobicContact CB-CG 4.03Å; M9-F119 HydrophobicContact CB-CZ 4.04Å; M9-F119 HydrophobicContact CG-CB 4.42Å; M9-F119 HydrophobicContact CG-CD2 3.95Å; M9-F119 HydrophobicContact CG-CE2 4.3Å; M9-F119 HydrophobicContact CG-CG 4.08Å; M9-F119 HydrophobicContact SD-CB 4.12Å; M9-F119 HydrophobicContact SD-CG 4.38Å; C12-F119 HydrophobicContact CB-CE2 4.43Å; W87-F119 HydrophobicContact CE3-CZ 4.46Å; W87-F119 AromaticContact CH2-CZ 3.96Å; W87-F119 HydrophobicContact CH2-CZ 3.96Å; W87-F119 AromaticContact CZ3-CE2 3.95Å; W87-F119 HydrophobicContact CZ3-CE2 3.95Å; W87-F119 AromaticContact CZ3-CZ 3.58Å; W87-F119 HydrophobicContact CZ3-CZ 3.58Å; F111-F119 HydrophobicContact CB-CD1 3.87Å; F111-F119 HydrophobicContact CB-CD2 3.82Å; F111-F119 HydrophobicContact CB-CE1 3.51Å; F111-F119 HydrophobicContact CB-CE2 3.43Å; F111-F119 VanDerWaalsContact CB-CE2 3.43Å; F111-F119 HydrophobicContact CB-CG 4.02Å; F111-F119 HydrophobicContact CB-CZ 3.26Å; F111-F119 AromaticContact CD1-CD1 3.67Å; F111-F119 HydrophobicContact CD1-CD1 3.67Å; F111-F119 AromaticContact CD1-CE1 3.15Å; F111-F119 HydrophobicContact CD1-CE1 3.15Å; F111-F119 AromaticContact CD1-CZ 3.73Å; F111-F119 HydrophobicContact CD1-CZ 3.73Å; F111-F119 HydrophobicContact CD2-CE1 4.4Å; F111-F119 HydrophobicContact CD2-CZ 4.18Å; F111-F119 AromaticContact CE1-CE1 3.89Å; F111-F119 HydrophobicContact CE1-CE1 3.89Å; F111-F119 HydrophobicContact CG-CD1 4.12Å; F111-F119 AromaticContact CG-CE1 3.44Å; F111-F119 HydrophobicContact CG-CE1 3.44Å; F111-F119 VanDerWaalsContact CG-CE1 3.44Å; F111-F119 HydrophobicContact CG-CE2 4.18Å; F111-F119 AromaticContact CG-CZ 3.47Å; F111-F119 HydrophobicContact CG-CZ 3.47Å; F111-F119 VanDerWaalsContact CG-CZ 3.47Å; F111-F119 PolarHBondContact N-O 2.81Å; F111-F119 PolarHBondContact O-N 2.92Å; F119-A133 CarbonylContact C-O 3.51Å; F119-A133 WeakPolarHBondContact CA-O 3.47Å; F119-A133 WeakPolarHBondContact CB-O 3.36Å; F119-R134 HydrophobicContact CB-CB 4.33Å |
| 120 | G | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 147.8 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | I109 T132 A133 | I109-G120 CarbonylContact O-C 3.58Å; I109-G120 WeakPolarHBondContact O-CA 3.13Å; G120-T132 WeakPolarHBondContact O-CA 3.33Å; G120-A133 PolarHBondContact N-O 3.19Å; G120-A133 PolarHBondContact O-N 3.28Å |
| 121 | I | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 127.3 | 176.1 | -57 | -178.2 | 0 | 0 | 0 | 107.3 | M9 C12 L13 T16 I109 M130 Y131 T132 | M9-I121 HydrophobicContact CG-CD1 4.38Å; C12-I121 HydrophobicContact CB-CD1 3.93Å; L13-I121 HydrophobicContact CB-CD1 4.07Å; T16-I121 HydrophobicContact CG2-CG2 3.87Å; I109-I121 PolarHBondContact N-O 3.11Å; I109-I121 PolarHBondContact O-N 3.34Å; I121-M130 HydrophobicContact CG2-SD 3.53Å; I121-M130 VanDerWaalsContact CG2-SD 3.53Å; I121-Y131 WeakPolarHBondContact CA-O 3.24Å; I121-T132 HydrophobicContact CG1-CG2 4.36Å; I121-T132 HydrophobicContact CG2-CG2 4.41Å |
| 122 | V | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 121.2 | 171.5 | 178.8 | 0 | 0 | 0 | 0 | 107.9 | V107 Y131 A197 | V107-V122 CarbonylContact O-C 3.51Å; V107-V122 WeakPolarHBondContact O-CA 3.04Å; V122-Y131 PolarHBondContact N-O 3.26Å; V122-Y131 WeakPolarHBondContact O-CA 3.19Å; V122-Y131 WeakPolarHBondContact O-CB 3.48Å; V122-Y131 PolarHBondContact O-N 3.05Å; V122-A197 HydrophobicContact CG1-CB 3.71Å; V122-A197 HydrophobicContact CG2-CB 4.09Å |
| 123 | Y | 98.9 | Very high | 98.3 | Very high | 9 Ų | 9 | 38 Ų | 38 | 4% | 0.035 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 102.7 | 179.3 | -175.5 | -150.3 | 0 | 0 | 0 | 111.2 | T16 R24 S106 V107 C125 D128 K129 M130 | T16-Y123 HydrophobicContact CG2-CD1 4.38Å; T16-Y123 HydrophobicContact CG2-CG 4.47Å; R24-Y123 PolarHBondContact NH1-OH 3.29Å; R24-Y123 PolarHBondContact NH2-OH 2.82Å; S106-Y123 CarbonylContact C-O 3.56Å; S106-Y123 WeakPolarHBondContact CA-O 3.49Å; S106-Y123 VanDerWaalsContact CB-O 3.32Å; S106-Y123 WeakPolarHBondContact CB-O 3.19Å; V107-Y123 PolarHBondContact N-O 3.37Å; V107-Y123 VanDerWaalsContact N-O 3.07Å; V107-Y123 PolarHBondContact O-N 3.47Å; Y123-C125 PolarHBondContact O-N 2.89Å; Y123-C125 VanDerWaalsContact O-N 3.09Å; Y123-C125 PolarHBondContact O-SG 3.15Å; Y123-D128 WeakPolarHBondContact CE2-OD1 3.47Å; Y123-D128 PolarHBondContact OH-OD1 3.36Å; Y123-K129 WeakPolarHBondContact CD2-O 3.44Å; Y123-M130 HydrophobicContact CD1-CE 3.8Å; Y123-M130 HydrophobicContact CD2-CB 4.16Å; Y123-M130 HydrophobicContact CD2-CE 3.62Å; Y123-M130 HydrophobicContact CD2-SD 4.21Å; Y123-M130 HydrophobicContact CE1-CE 4.21Å; Y123-M130 HydrophobicContact CE2-CE 4.07Å; Y123-M130 HydrophobicContact CG-CE 3.46Å; Y123-M130 VanDerWaalsContact CG-CE 3.46Å; Y123-M130 HydrophobicContact CG-SD 4.13Å |
| 124 | S | 98.5 | Very high | 98.3 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 103 | 169 | -178.3 | 0 | 0 | 0 | 0 | 108.5 | E127 D128 K129 | S124-E127 PolarHBondContact OG-OE2 3.41Å; S124-D128 WeakPolarHBondContact O-CA 3.41Å; S124-D128 PolarHBondContact O-N 3.48Å; S124-K129 PolarHBondContact N-O 3.5Å; S124-K129 PolarHBondContact O-N 3.22Å; S124-K129 VanDerWaalsContact O-N 3.13Å |
| 125 | C | 97.5 | Very high | 98.3 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 16% | 0.163 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.7 | -36.7 | -162.6 | -70.1 | 0 | 0 | 0 | 0 | 112.7 | G20 I23 R24 V105 Y123 | G20-C125 VanDerWaalsContact CA-SG 3.54Å; I23-C125 HydrophobicContact CG2-CB 4.22Å; R24-C125 WeakPolarHBondContact CD-O 3.41Å; R24-C125 PolarHBondContact NH1-O 3.38Å; V105-C125 PolarHBondContact O-N 3.23Å; Y123-C125 PolarHBondContact O-N 2.89Å; Y123-C125 VanDerWaalsContact O-N 3.09Å; Y123-C125 PolarHBondContact O-SG 3.15Å |
| 126 | I | 95.8 | Very high | 98.3 | Very high | 67 Ų | 67 | 32 Ų | 32 | 34% | 0.344 | 17% | 0.17 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.4 | -39.7 | -179 | -61 | 172.4 | 0 | 0 | 0 | 110.3 | L27 P103 V105 D128 | L27-I126 HydrophobicContact CD1-CD1 3.71Å; L27-I126 HydrophobicContact CD1-CG1 3.73Å; P103-I126 HydrophobicContact CB-CG2 4.2Å; V105-I126 HydrophobicContact CB-CD1 4.26Å; V105-I126 HydrophobicContact CG2-CD1 3.92Å; I126-D128 PolarHBondContact O-N 2.99Å |
| 127 | E | 96.7 | Very high | 98.3 | Very high | 60 Ų | 60 | 33 Ų | 33 | 28% | 0.28 | 17% | 0.172 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.3 | -11.4 | 177.9 | -60.8 | -178 | 89.3 | 0 | 0 | 113.6 | S124 K129 | S124-E127 PolarHBondContact OG-OE2 3.41Å; E127-K129 VanDerWaalsContact C-N 3.32Å; E127-K129 HydrophobicContact CB-CB 4.49Å; E127-K129 HydrophobicContact CB-CD 4.04Å; E127-K129 HydrophobicContact CB-CG 4Å; E127-K129 PolarHBondContact O-N 2.85Å; E127-K129 IonicContact OE1-NZ 2.73Å; E127-K129 PolarHBondContact OE1-NZ 3.08Å |
| 128 | D | 97.7 | Very high | 98.3 | Very high | 88 Ų | 88 | 32.3 Ų | 32.3 | 47% | 0.471 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.5 | 46.6 | -172.7 | -162.1 | 33.1 | 0 | 0 | 0 | 112.9 | R24 Y123 S124 I126 N142 | R24-D128 IonicContact NH1-OD1 2.83Å; Y123-D128 WeakPolarHBondContact CE2-OD1 3.47Å; Y123-D128 PolarHBondContact OH-OD1 3.36Å; S124-D128 WeakPolarHBondContact O-CA 3.41Å; S124-D128 PolarHBondContact O-N 3.48Å; I126-D128 PolarHBondContact O-N 2.99Å; D128-N142 PolarHBondContact O-ND2 3.24Å |
| 129 | K | 98.6 | Very high | 98.3 | Very high | 67 Ų | 67 | 31.2 Ų | 31.2 | 29% | 0.291 | 17% | 0.17 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 109.8 | 178.3 | -67 | 177.4 | -175.4 | 162.5 | 0 | 110.8 | Y123 S124 E127 Y131 | Y123-K129 WeakPolarHBondContact CD2-O 3.44Å; S124-K129 PolarHBondContact N-O 3.5Å; S124-K129 PolarHBondContact O-N 3.22Å; S124-K129 VanDerWaalsContact O-N 3.13Å; E127-K129 VanDerWaalsContact C-N 3.32Å; E127-K129 HydrophobicContact CB-CB 4.49Å; E127-K129 HydrophobicContact CB-CD 4.04Å; E127-K129 HydrophobicContact CB-CG 4Å; E127-K129 PolarHBondContact O-N 2.85Å; E127-K129 IonicContact OE1-NZ 2.73Å; E127-K129 PolarHBondContact OE1-NZ 3.08Å; K129-Y131 HydrophobicContact CB-CD2 4.29Å; K129-Y131 HydrophobicContact CB-CE2 3.59Å; K129-Y131 HydrophobicContact CD-CE2 4.33Å; K129-Y131 WeakPolarHBondContact CD-OH 3.22Å |
| 130 | M | 98.8 | Very high | 98.3 | Very high | 17 Ų | 17 | 34.4 Ų | 34.4 | 8% | 0.084 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 105.2 | 176 | -175.9 | 66 | 68.8 | 0 | 0 | 109.7 | L13 T16 K17 I121 Y123 T132 C141 N142 | L13-M130 HydrophobicContact CD1-CG 4.07Å; L13-M130 HydrophobicContact CD1-SD 4.34Å; T16-M130 HydrophobicContact CG2-CE 4.15Å; T16-M130 HydrophobicContact CG2-SD 4.34Å; K17-M130 HydrophobicContact CG-CE 3.86Å; I121-M130 HydrophobicContact CG2-SD 3.53Å; I121-M130 VanDerWaalsContact CG2-SD 3.53Å; Y123-M130 HydrophobicContact CD1-CE 3.8Å; Y123-M130 HydrophobicContact CD2-CB 4.16Å; Y123-M130 HydrophobicContact CD2-CE 3.62Å; Y123-M130 HydrophobicContact CD2-SD 4.21Å; Y123-M130 HydrophobicContact CE1-CE 4.21Å; Y123-M130 HydrophobicContact CE2-CE 4.07Å; Y123-M130 HydrophobicContact CG-CE 3.46Å; Y123-M130 VanDerWaalsContact CG-CE 3.46Å; Y123-M130 HydrophobicContact CG-SD 4.13Å; M130-T132 HydrophobicContact CG-CG2 3.98Å; M130-C141 CarbonylContact O-C 3.49Å; M130-C141 WeakPolarHBondContact O-CA 3.39Å; M130-N142 WeakPolarHBondContact CB-OD1 3.14Å; M130-N142 PolarHBondContact N-OD1 3.49Å; M130-N142 PolarHBondContact O-N 2.9Å |
| 131 | Y | 98.9 | Very high | 98.3 | Very high | 5 Ų | 5 | 35.3 Ų | 35.3 | 2% | 0.02 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 132.7 | 173.4 | -60.5 | -94.5 | 0 | 0 | 0 | 109.9 | I121 V122 K129 F140 C141 I146 C201 | I121-Y131 WeakPolarHBondContact CA-O 3.24Å; V122-Y131 PolarHBondContact N-O 3.26Å; V122-Y131 WeakPolarHBondContact O-CA 3.19Å; V122-Y131 WeakPolarHBondContact O-CB 3.48Å; V122-Y131 PolarHBondContact O-N 3.05Å; K129-Y131 HydrophobicContact CB-CD2 4.29Å; K129-Y131 HydrophobicContact CB-CE2 3.59Å; K129-Y131 HydrophobicContact CD-CE2 4.33Å; K129-Y131 WeakPolarHBondContact CD-OH 3.22Å; Y131-F140 CarbonylContact C-O 3.58Å; Y131-F140 VanDerWaalsContact CA-O 3.29Å; Y131-F140 WeakPolarHBondContact CA-O 3.45Å; Y131-C141 HydrophobicContact CD1-CB 3.85Å; Y131-C141 HydrophobicContact CE1-CB 3.85Å; Y131-I146 HydrophobicContact CD1-CD1 3.94Å; Y131-I146 HydrophobicContact CE1-CD1 4.39Å; Y131-C201 HydrophobicContact CD1-CB 3.73Å; Y131-C201 HydrophobicContact CD2-CB 3.9Å; Y131-C201 HydrophobicContact CE1-CB 3.75Å; Y131-C201 HydrophobicContact CE2-CB 3.94Å; Y131-C201 HydrophobicContact CG-CB 3.8Å; Y131-C201 VanDerWaalsContact CG-SG 3.59Å |
| 132 | T | 98.9 | Very high | 98.3 | Very high | 17 Ų | 17 | 39.4 Ų | 39.4 | 10% | 0.104 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 141.3 | -176.6 | 57.2 | 0 | 0 | 0 | 0 | 110.9 | M9 L13 G120 I121 M130 A139 F140 | M9-T132 HydrophobicContact CE-CG2 4.22Å; L13-T132 HydrophobicContact CD1-CG2 3.52Å; G120-T132 WeakPolarHBondContact O-CA 3.33Å; I121-T132 HydrophobicContact CG1-CG2 4.36Å; I121-T132 HydrophobicContact CG2-CG2 4.41Å; M130-T132 HydrophobicContact CG-CG2 3.98Å; T132-A139 CarbonylContact O-C 3.56Å; T132-A139 WeakPolarHBondContact O-CA 3.36Å; T132-F140 PolarHBondContact N-O 2.9Å; T132-F140 PolarHBondContact O-N 3.21Å |
| 133 | A | 98.8 | Very high | 98.3 | Very high | 1 Ų | 1 | 42.1 Ų | 42.1 | 1% | 0.008 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 141.6 | 173 | 0 | 0 | 0 | 0 | 0 | 111 | F119 G120 A139 A226 V227 E230 | F119-A133 CarbonylContact C-O 3.51Å; F119-A133 WeakPolarHBondContact CA-O 3.47Å; F119-A133 WeakPolarHBondContact CB-O 3.36Å; G120-A133 PolarHBondContact N-O 3.19Å; G120-A133 PolarHBondContact O-N 3.28Å; A133-A139 HydrophobicContact CB-CB 4.14Å; A133-A226 HydrophobicContact CB-CB 4.36Å; A133-A226 WeakPolarHBondContact CB-O 3.49Å; A133-V227 HydrophobicContact CB-CB 4.36Å; A133-V227 HydrophobicContact CB-CG2 4.09Å; A133-E230 HydrophobicContact CB-CB 3.78Å; A133-E230 HydrophobicContact CB-CG 3.94Å |
| 134 | R | 98.5 | Very high | 98.3 | Very high | 19 Ų | 19 | 46.9 Ų | 46.9 | 7% | 0.072 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 133.5 | 173.8 | 170.2 | 74 | -174.8 | 112.9 | -2.3 | 107.4 | D3 M9 E118 F119 G136 K137 E230 | D3-R134 IonicContact OD1-CZ 3.32Å; D3-R134 IonicContact OD1-NE 3.31Å; D3-R134 IonicContact OD1-NH2 3.51Å; D3-R134 PolarHBondContact OD1-NH2 3.48Å; D3-R134 IonicContact OD2-CZ 3.68Å; D3-R134 IonicContact OD2-NE 3.67Å; D3-R134 PolarHBondContact OD2-NE 3.09Å; D3-R134 IonicContact OD2-NH2 3.37Å; D3-R134 PolarHBondContact OD2-NH2 3.04Å; M9-R134 HydrophobicContact CE-CB 4.43Å; M9-R134 HydrophobicContact SD-CB 3.77Å; E118-R134 WeakPolarHBondContact O-CD 3.4Å; E118-R134 PolarHBondContact O-NH1 2.68Å; E118-R134 IonicContact OE2-CZ 2.79Å; E118-R134 IonicContact OE2-NH1 3.31Å; E118-R134 PolarHBondContact OE2-NH1 3.17Å; E118-R134 IonicContact OE2-NH2 3.89Å; E118-R134 PolarHBondContact OE2-NH2 2.8Å; F119-R134 HydrophobicContact CB-CB 4.33Å; R134-G136 PolarHBondContact O-N 3.32Å; R134-K137 HydrophobicContact CB-CB 3.94Å; R134-K137 HydrophobicContact CB-CG 3.92Å; R134-K137 HydrophobicContact CG-CB 4.16Å; R134-K137 HydrophobicContact CG-CG 3.55Å; R134-K137 WeakPolarHBondContact O-CA 3.08Å; R134-K137 WeakPolarHBondContact O-CB 3.42Å; R134-K137 PolarHBondContact O-N 3.38Å; R134-E230 VanDerWaalsContact O-CD 3.31Å; R134-E230 VanDerWaalsContact O-OE2 3.09Å |
| 135 | K | 98.3 | Very high | 98.3 | Very high | 86 Ų | 86 | 51.8 Ų | 51.8 | 37% | 0.374 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -48.1 | 121.5 | -178.4 | -167.9 | 177.9 | -173.9 | 173.5 | 0 | 112 | E116 E118 K137 E230 | E116-K135 IonicContact OE2-NZ 2.8Å; E116-K135 PolarHBondContact OE2-NZ 3.01Å; E118-K135 WeakPolarHBondContact O-CB 3.41Å; E118-K135 PolarHBondContact O-N 3.23Å; E118-K135 IonicContact OE1-NZ 3.54Å; E118-K135 PolarHBondContact OE1-NZ 3.17Å; K135-K137 VanDerWaalsContact C-N 3.32Å; K135-K137 PolarHBondContact O-N 3.02Å; K135-E230 VanDerWaalsContact CA-OE1 3.3Å; K135-E230 WeakPolarHBondContact CA-OE1 3.35Å |
| 136 | G | 98.1 | Very high | 98.4 | Very high | 65 Ų | 65 | 53.2 Ų | 53.2 | 67% | 0.67 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72 | 16.1 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | R134 E230 | R134-G136 PolarHBondContact O-N 3.32Å; G136-E230 WeakPolarHBondContact CA-OE2 3.2Å; G136-E230 PolarHBondContact N-OE1 3.43Å; G136-E230 PolarHBondContact N-OE2 2.9Å |
| 137 | K | 98.3 | Very high | 98.5 | Very high | 128 Ų | 128 | 57.7 Ų | 57.7 | 56% | 0.557 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -121.1 | -4.7 | -179.4 | -56.2 | -63 | -178.3 | -178 | 0 | 113.5 | R134 K135 F140 E230 | R134-K137 HydrophobicContact CB-CB 3.94Å; R134-K137 HydrophobicContact CB-CG 3.92Å; R134-K137 HydrophobicContact CG-CB 4.16Å; R134-K137 HydrophobicContact CG-CG 3.55Å; R134-K137 WeakPolarHBondContact O-CA 3.08Å; R134-K137 WeakPolarHBondContact O-CB 3.42Å; R134-K137 PolarHBondContact O-N 3.38Å; K135-K137 VanDerWaalsContact C-N 3.32Å; K135-K137 PolarHBondContact O-N 3.02Å; K137-F140 WeakPolarHBondContact O-CE2 3.41Å; K137-E230 PolarHBondContact N-OE2 3.42Å |
| 138 | G | 98.6 | Very high | 98.6 | Very high | 23 Ų | 23 | 55.6 Ų | 55.6 | 24% | 0.237 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 86.2 | 170.7 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | E230 | G138-E230 WeakPolarHBondContact CA-OE2 3.37Å; G138-E230 PolarHBondContact N-OE2 2.92Å |
| 139 | A | 98.9 | Very high | 98.6 | Very high | 3 Ų | 3 | 54 Ų | 54 | 3% | 0.025 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 145.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | T132 A133 P145 I146 V227 E230 A231 | T132-A139 CarbonylContact O-C 3.56Å; T132-A139 WeakPolarHBondContact O-CA 3.36Å; A133-A139 HydrophobicContact CB-CB 4.14Å; A139-P145 WeakPolarHBondContact O-CA 3.33Å; A139-I146 HydrophobicContact CB-CD1 4.1Å; A139-I146 HydrophobicContact CB-CG1 3.71Å; A139-I146 PolarHBondContact O-N 2.85Å; A139-V227 HydrophobicContact CB-CG1 4.2Å; A139-V227 WeakPolarHBondContact CB-O 3.35Å; A139-E230 HydrophobicContact CB-CB 4.01Å; A139-A231 HydrophobicContact CB-CB 3.84Å |
| 140 | F | 98.9 | Very high | 98.6 | Very high | 67 Ų | 67 | 52.7 Ų | 52.7 | 29% | 0.294 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 150.3 | -176.7 | -56 | -98.3 | 0 | 0 | 0 | 111.2 | Y131 T132 K137 G143 N144 P145 | Y131-F140 CarbonylContact C-O 3.58Å; Y131-F140 VanDerWaalsContact CA-O 3.29Å; Y131-F140 WeakPolarHBondContact CA-O 3.45Å; T132-F140 PolarHBondContact N-O 2.9Å; T132-F140 PolarHBondContact O-N 3.21Å; K137-F140 WeakPolarHBondContact O-CE2 3.41Å; F140-G143 WeakPolarHBondContact CD1-O 3.2Å; F140-N144 CarbonylContact C-O 3.55Å; F140-N144 WeakPolarHBondContact CA-O 3.35Å; F140-P145 HydrophobicContact CD1-CB 4.35Å; F140-P145 HydrophobicContact CD1-CG 4.11Å; F140-P145 HydrophobicContact CE1-CB 4.31Å; F140-P145 HydrophobicContact CE1-CG 3.88Å |
| 141 | C | 98.9 | Very high | 98.6 | Very high | 20 Ų | 20 | 54 Ų | 54 | 14% | 0.135 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 118.4 | 166.2 | 178.3 | 0 | 0 | 0 | 0 | 108.7 | M130 Y131 G143 N144 I146 | M130-C141 CarbonylContact O-C 3.49Å; M130-C141 WeakPolarHBondContact O-CA 3.39Å; Y131-C141 HydrophobicContact CD1-CB 3.85Å; Y131-C141 HydrophobicContact CE1-CB 3.85Å; C141-G143 PolarHBondContact O-N 3.05Å; C141-N144 PolarHBondContact N-O 3.5Å; C141-N144 WeakPolarHBondContact O-CB 3.49Å; C141-N144 PolarHBondContact O-N 3.43Å; C141-I146 HydrophobicContact CB-CG2 3.67Å |
| 142 | N | 98.6 | Very high | 98.6 | Very high | 85 Ų | 85 | 60.5 Ų | 60.5 | 46% | 0.455 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.9 | 39.7 | -174.4 | -67.4 | -10.7 | 0 | 0 | 0 | 112.5 | D128 M130 N144 | D128-N142 PolarHBondContact O-ND2 3.24Å; M130-N142 WeakPolarHBondContact CB-OD1 3.14Å; M130-N142 PolarHBondContact N-OD1 3.49Å; M130-N142 PolarHBondContact O-N 2.9Å; N142-N144 PolarHBondContact O-N 2.88Å |
| 143 | G | 98 | Very high | 98.5 | Very high | 58 Ų | 58 | 63.3 Ų | 63.3 | 60% | 0.598 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.6 | -6.2 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | F140 C141 | F140-G143 WeakPolarHBondContact CD1-O 3.2Å; C141-G143 PolarHBondContact O-N 3.05Å |
| 144 | N | 98.6 | Very high | 98.5 | Very high | 108 Ų | 108 | 63.7 Ų | 63.7 | 58% | 0.578 | 37% | 0.366 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 132.2 | 175.5 | -60.2 | -65.5 | 0 | 0 | 0 | 110.3 | F140 C141 N142 I146 | F140-N144 CarbonylContact C-O 3.55Å; F140-N144 WeakPolarHBondContact CA-O 3.35Å; C141-N144 PolarHBondContact N-O 3.5Å; C141-N144 WeakPolarHBondContact O-CB 3.49Å; C141-N144 PolarHBondContact O-N 3.43Å; N142-N144 PolarHBondContact O-N 2.88Å; N144-I146 PolarHBondContact O-N 3.05Å |
| 145 | P | 98.8 | Very high | 98.4 | Very high | 103 Ų | 103 | 64.9 Ų | 64.9 | 67% | 0.669 | 38% | 0.377 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -58.2 | 137.4 | 175.8 | -20.9 | 30.3 | 0 | 0 | 0 | 111.6 | A139 F140 | A139-P145 WeakPolarHBondContact O-CA 3.33Å; F140-P145 HydrophobicContact CD1-CB 4.35Å; F140-P145 HydrophobicContact CD1-CG 4.11Å; F140-P145 HydrophobicContact CE1-CB 4.31Å; F140-P145 HydrophobicContact CE1-CG 3.88Å |
| 146 | I | 98.9 | Very high | 98.4 | Very high | 30 Ų | 30 | 65.6 Ų | 65.6 | 15% | 0.154 | 38% | 0.381 | C | S | . | . | trans | -118.3 | 156.4 | 174.1 | 61.5 | 175.4 | 0 | 0 | 0 | 110.6 | Y131 A139 C141 N144 A204 V227 A231 | Y131-I146 HydrophobicContact CD1-CD1 3.94Å; Y131-I146 HydrophobicContact CE1-CD1 4.39Å; A139-I146 HydrophobicContact CB-CD1 4.1Å; A139-I146 HydrophobicContact CB-CG1 3.71Å; A139-I146 PolarHBondContact O-N 2.85Å; C141-I146 HydrophobicContact CB-CG2 3.67Å; N144-I146 PolarHBondContact O-N 3.05Å; I146-A204 HydrophobicContact CD1-CB 4.02Å; I146-V227 HydrophobicContact CD1-CG1 3.9Å; I146-A231 HydrophobicContact CG1-CB 4.42Å | ||
| 147 | K | 98.8 | Very high | 98.4 | Very high | 161 Ų | 161 | 62.5 Ų | 62.5 | 70% | 0.7 | 35% | 0.349 | S | S | * | . | trans | -147.5 | 149.5 | 176.5 | 65.5 | 179.5 | -174.2 | 175.8 | 0 | 109.8 | A204 S205 G206 A231 | K147-A204 CarbonylContact C-O 3.54Å; K147-A204 PolarHBondContact N-O 2.99Å; K147-S205 CarbonylContact O-C 3.44Å; K147-G206 PolarHBondContact O-N 3.19Å; K147-A231 WeakPolarHBondContact CA-O 3.12Å | ||
| 148 | V | 98.9 | Very high | 98.4 | Very high | 17 Ų | 17 | 58.2 Ų | 58.2 | 10% | 0.103 | 33% | 0.332 | C | S | . | . | trans | -62.7 | 161.6 | 171.8 | -61.9 | 0 | 0 | 0 | 0 | 111.9 | G150 A204 A231 S254 | V148-G150 VanDerWaalsContact C-N 3.31Å; V148-G150 PolarHBondContact O-N 3.01Å; V148-A204 PolarHBondContact N-O 2.83Å; V148-A231 HydrophobicContact CG1-CB 4.24Å; V148-A231 PolarHBondContact N-O 3.27Å; V148-A231 VanDerWaalsContact N-O 3.17Å; V148-S254 WeakPolarHBondContact CG2-O 3.47Å | ||
| 149 | S | 98.7 | Very high | 98.4 | Very high | 55 Ų | 55 | 57.1 Ų | 57.1 | 39% | 0.385 | 32% | 0.321 | S | S | . | . | trans | -64.6 | -31.4 | -177.5 | 64.9 | 0 | 0 | 0 | 0 | 114 | Q151 D209 S254 | S149-Q151 VanDerWaalsContact C-N 3.31Å; S149-Q151 PolarHBondContact OG-N 3.07Å; S149-D209 VanDerWaalsContact CB-OD1 3.31Å; S149-D209 WeakPolarHBondContact CB-OD1 3.39Å; S149-D209 PolarHBondContact OG-OD1 2.73Å; S149-S254 WeakPolarHBondContact OG-CB 3.31Å; S149-S254 PolarHBondContact OG-OG 2.86Å | ||
| 150 | G | 98.1 | Very high | 98.4 | Very high | 39 Ų | 39 | 57.1 Ų | 57.1 | 40% | 0.402 | 32% | 0.321 | S | S | . | . | trans | 76.2 | 10.9 | -174.1 | 0 | 0 | 0 | 0 | 0 | 115 | V148 | V148-G150 VanDerWaalsContact C-N 3.31Å; V148-G150 PolarHBondContact O-N 3.01Å | ||
| 151 | Q | 98.4 | Very high | 98.4 | Very high | 45 Ų | 45 | 54.1 Ų | 54.1 | 21% | 0.21 | 31% | 0.308 | C | S | . | . | trans | -59.2 | 140.7 | 177.4 | -177.8 | 55 | -78.3 | 0 | 0 | 111.4 | S149 D153 E156 D209 S254 S255 I258 | S149-Q151 VanDerWaalsContact C-N 3.31Å; S149-Q151 PolarHBondContact OG-N 3.07Å; Q151-D153 WeakPolarHBondContact CG-O 3.12Å; Q151-E156 PolarHBondContact NE2-OE2 2.79Å; Q151-D209 VanDerWaalsContact CB-OD1 3.28Å; Q151-D209 WeakPolarHBondContact CB-OD1 3.26Å; Q151-S254 PolarHBondContact N-OG 3.37Å; Q151-S254 PolarHBondContact O-OG 2.94Å; Q151-S255 WeakPolarHBondContact O-CB 3.45Å; Q151-S255 PolarHBondContact O-OG 3.39Å; Q151-I258 WeakPolarHBondContact O-CG1 3.32Å | ||
| 152 | K | 98.2 | Very high | 98.2 | Very high | 141 Ų | 141 | 54.3 Ų | 54.3 | 61% | 0.613 | 31% | 0.307 | S | S | * | . | trans | -125.8 | -17.8 | -178.3 | -64.5 | -179.7 | -176.6 | 177.7 | 0 | 113.3 | T257 | K152-T257 WeakPolarHBondContact O-CG2 3.32Š| ||
| 153 | D | 97.8 | Very high | 97.6 | Very high | 75 Ų | 75 | 54.7 Ų | 54.7 | 40% | 0.401 | 31% | 0.307 | S | S | . | . | trans | -91.4 | 117.9 | 172.5 | -165.1 | -31 | 0 | 0 | 0 | 109.8 | Q151 S155 E156 | Q151-D153 WeakPolarHBondContact CG-O 3.12Å; D153-S155 VanDerWaalsContact CG-OG 3.27Å; D153-S155 PolarHBondContact O-N 2.72Å; D153-S155 WeakPolarHBondContact OD1-CB 3.47Å; D153-S155 PolarHBondContact OD1-N 3.37Å; D153-S155 PolarHBondContact OD1-OG 3.07Å; D153-S155 PolarHBondContact OD2-OG 2.86Å; D153-E156 HydrophobicContact CB-CB 4.37Å; D153-E156 HydrophobicContact CB-CG 4.27Å; D153-E156 PolarHBondContact O-N 2.74Å | ||
| 154 | I | 97.6 | Very high | 96.5 | Very high | 10 Ų | 10 | 52.8 Ų | 52.8 | 5% | 0.051 | 29% | 0.288 | C | S | . | . | G | 310 helix | trans | -67 | -27.7 | 179.9 | -168.7 | 162.1 | 0 | 0 | 0 | 111.9 | E156 S157 I185 V187 I258 R261 I262 | I154-E156 PolarHBondContact O-N 2.94Å; I154-S157 WeakPolarHBondContact O-CB 3.32Å; I154-S157 PolarHBondContact O-N 3.27Å; I154-S157 VanDerWaalsContact O-N 3.15Å; I154-S157 PolarHBondContact O-OG 3.26Å; I154-I185 HydrophobicContact CD1-CD1 4.47Å; I154-I185 HydrophobicContact CD1-CG2 4.21Å; I154-I185 HydrophobicContact CG1-CG2 4.25Å; I154-I185 HydrophobicContact CG2-CG2 3.53Å; I154-V187 HydrophobicContact CG1-CG1 3.89Å; I154-V187 WeakPolarHBondContact O-CG1 3.46Å; I154-I258 VanDerWaalsContact CA-CD1 3.5Å; I154-I258 HydrophobicContact CB-CD1 3.84Å; I154-I258 HydrophobicContact CG1-CD1 4.45Å; I154-R261 HydrophobicContact CB-CG 4.19Å; I154-R261 HydrophobicContact CD1-CB 4Å; I154-R261 HydrophobicContact CD1-CG 3.39Å; I154-R261 HydrophobicContact CG1-CG 4.36Å; I154-R261 HydrophobicContact CG2-CG 3.98Å; I154-I262 HydrophobicContact CD1-CG1 4.15Å |
| 155 | S | 97.2 | Very high | 94.9 | Very high | 43 Ų | 43 | 52.9 Ų | 52.9 | 30% | 0.301 | 28% | 0.283 | S | S | . | . | G | 310 helix | trans | -70.1 | -20 | 178.6 | 67.2 | 0 | 0 | 0 | 0 | 112.9 | D153 P186 H188 | D153-S155 VanDerWaalsContact CG-OG 3.27Å; D153-S155 PolarHBondContact O-N 2.72Å; D153-S155 WeakPolarHBondContact OD1-CB 3.47Å; D153-S155 PolarHBondContact OD1-N 3.37Å; D153-S155 PolarHBondContact OD1-OG 3.07Å; D153-S155 PolarHBondContact OD2-OG 2.86Å; S155-P186 CarbonylContact C-O 3.53Å; S155-P186 WeakPolarHBondContact CA-O 3.47Å; S155-H188 PolarHBondContact O-CD2 2.53Å |
| 156 | E | 97.7 | Very high | 93.4 | Very high | 101 Ų | 101 | 51.5 Ų | 51.5 | 47% | 0.472 | 27% | 0.266 | S | S | . | . | G | 310 helix | trans | -98.9 | 9.5 | 176 | -62.9 | -172.9 | 171.2 | 0 | 0 | 113 | Q151 D153 I154 H188 | Q151-E156 PolarHBondContact NE2-OE2 2.79Å; D153-E156 HydrophobicContact CB-CB 4.37Å; D153-E156 HydrophobicContact CB-CG 4.27Å; D153-E156 PolarHBondContact O-N 2.74Å; I154-E156 PolarHBondContact O-N 2.94Å; E156-H188 VanDerWaalsContact CA-CE1 3.5Å; E156-H188 WeakPolarHBondContact CA-CE1 3.34Å; E156-H188 PolarHBondContact O-CE1 2.94Å; E156-H188 PolarHBondContact O-ND1 3.28Å |
| 157 | S | 98.6 | Very high | 91.9 | Very high | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 29% | 0.29 | C | S | . | . | trans | -96.5 | 148.8 | -170.6 | 73.2 | 0 | 0 | 0 | 0 | 114.1 | I154 I159 H188 D209 | I154-S157 WeakPolarHBondContact O-CB 3.32Å; I154-S157 PolarHBondContact O-N 3.27Å; I154-S157 VanDerWaalsContact O-N 3.15Å; I154-S157 PolarHBondContact O-OG 3.26Å; S157-I159 VanDerWaalsContact OG-CD1 3.31Å; S157-I159 WeakPolarHBondContact OG-CD1 3.24Å; S157-H188 WeakPolarHBondContact O-CB 3.23Å; S157-H188 PolarHBondContact O-N 3.02Å; S157-D209 VanDerWaalsContact CA-OD2 3.25Å; S157-D209 WeakPolarHBondContact CA-OD2 3.37Å | ||
| 158 | L | 98.8 | Very high | 91 | Very high | 38 Ų | 38 | 52.7 Ų | 52.7 | 20% | 0.199 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 119.8 | 166 | -176.1 | 69.4 | 0 | 0 | 0 | 109.8 | R191 A208 D209 | L158-R191 HydrophobicContact CD1-CG 4.15Å; L158-R191 HydrophobicContact CD2-CG 4.48Å; L158-A208 HydrophobicContact CD2-CB 4.47Å; L158-D209 PolarHBondContact N-OD2 3Å; L158-D209 PolarHBondContact O-N 3.35Å |
| 159 | I | 98.7 | Very high | 90.3 | Very high | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 142.7 | -174.9 | -49.7 | -59.6 | 0 | 0 | 0 | 110.6 | S157 I182 V187 G189 I190 R191 A210 Y212 I262 | S157-I159 VanDerWaalsContact OG-CD1 3.31Å; S157-I159 WeakPolarHBondContact OG-CD1 3.24Å; I159-I182 HydrophobicContact CB-CG2 4.39Å; I159-I182 HydrophobicContact CG1-CG2 4.11Å; I159-I182 HydrophobicContact CG2-CG2 4.41Å; I159-V187 HydrophobicContact CG1-CB 4.3Å; I159-V187 HydrophobicContact CG1-CG1 3.91Å; I159-G189 PolarHBondContact N-O 3.44Å; I159-I190 HydrophobicContact CB-CG1 4.33Å; I159-I190 CarbonylContact O-C 3.39Å; I159-I190 WeakPolarHBondContact O-CA 3.45Å; I159-R191 PolarHBondContact O-N 3.49Å; I159-A210 CarbonylContact C-O 3.02Å; I159-A210 HydrophobicContact CD1-CB 3.91Å; I159-Y212 HydrophobicContact CG2-CD1 3.89Å; I159-Y212 HydrophobicContact CG2-CE1 3.91Å; I159-I262 HydrophobicContact CD1-CD1 4.01Å |
| 160 | L | 98.8 | Very high | 89.6 | Confident | 4 Ų | 4 | 59 Ų | 59 | 2% | 0.021 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 143.9 | 172.1 | -52.6 | -179.2 | 0 | 0 | 0 | 109.7 | R191 N199 L202 V203 A208 A210 Y211 Y212 | L160-R191 WeakPolarHBondContact CA-O 3.48Å; L160-R191 HydrophobicContact CD2-CB 3.58Å; L160-R191 HydrophobicContact CD2-CG 4.27Å; L160-N199 HydrophobicContact CB-CB 4.43Å; L160-N199 HydrophobicContact CD1-CB 3.91Å; L160-N199 WeakPolarHBondContact CD1-O 2.92Å; L160-L202 HydrophobicContact CD1-CB 3.92Å; L160-L202 HydrophobicContact CD1-CD1 4.13Å; L160-V203 HydrophobicContact CD1-CG2 4.34Å; L160-A208 HydrophobicContact CD1-CB 3.64Å; L160-A208 HydrophobicContact CD2-CB 3.98Å; L160-A208 HydrophobicContact CG-CB 3.62Å; L160-A210 PolarHBondContact N-O 2.9Å; L160-Y211 HydrophobicContact CB-CD2 3.78Å; L160-Y211 HydrophobicContact CB-CG 4.32Å; L160-Y211 WeakPolarHBondContact O-CA 3.38Å; L160-Y211 WeakPolarHBondContact O-CD2 3.04Å; L160-Y212 PolarHBondContact O-N 3.31Å |
| 161 | T | 97.9 | Very high | 89 | Confident | 4 Ų | 4 | 57.5 Ų | 57.5 | 3% | 0.025 | 29% | 0.293 | C | S | . | . | trans | -162.4 | 171.4 | 167 | -163.5 | 0 | 0 | 0 | 0 | 108.9 | I179 I190 R191 S192 Y212 | T161-I179 HydrophobicContact CG2-CD1 4.06Å; T161-I179 HydrophobicContact CG2-CG1 3.97Å; T161-I190 HydrophobicContact CG2-CG2 3.89Å; T161-R191 PolarHBondContact N-O 3.18Å; T161-S192 WeakPolarHBondContact O-CA 3.36Å; T161-S192 VanDerWaalsContact O-CB 3.26Å; T161-S192 WeakPolarHBondContact O-CB 3.43Å; T161-S192 PolarHBondContact O-OG 2.92Å; T161-Y212 WeakPolarHBondContact CB-O 3.44Å; T161-Y212 HydrophobicContact CG2-CE1 4.15Å; T161-Y212 PolarHBondContact OG1-O 3.01Å | ||
| 162 | E | 95.1 | Very high | 88.5 | Confident | 24 Ų | 24 | 58.8 Ų | 58.8 | 11% | 0.112 | 30% | 0.298 | C | S | . | . | trans | -128.5 | 160.3 | 176.6 | -57.1 | -64.5 | 154.3 | 0 | 0 | 109.8 | G164 S192 P193 G194 N199 | E162-G164 VanDerWaalsContact C-N 3.31Å; E162-G164 PolarHBondContact O-N 2.65Å; E162-S192 VanDerWaalsContact OE1-C 3.25Å; E162-S192 VanDerWaalsContact OE1-CA 3.3Å; E162-S192 WeakPolarHBondContact OE1-CA 3.19Å; E162-S192 WeakPolarHBondContact OE2-CB 3.27Å; E162-P193 WeakPolarHBondContact OE1-CD 3.18Å; E162-G194 VanDerWaalsContact CD-N 3.31Å; E162-G194 PolarHBondContact OE1-N 3.13Å; E162-G194 WeakPolarHBondContact OE2-CA 3.42Å; E162-G194 PolarHBondContact OE2-N 3.32Å; E162-N199 PolarHBondContact OE1-ND2 3.46Å | ||
| 163 | M | 86.6 | Confident | 88.2 | Confident | 93 Ų | 93 | 57.2 Ų | 57.2 | 46% | 0.458 | 30% | 0.296 | S | S | . | . | trans | -82.9 | -5.7 | -176.4 | -59.8 | 87.8 | -173.5 | 0 | 0 | 113.9 | F172 M175 S192 | M163-F172 WeakPolarHBondContact O-CE1 3.32Å; M163-M175 HydrophobicContact CB-CE 3.74Å; M163-M175 HydrophobicContact CB-SD 4.32Å; M163-M175 HydrophobicContact CG-CE 4.09Å; M163-M175 HydrophobicContact CG-SD 4.36Å; M163-M175 WeakPolarHBondContact O-CE 3.35Å; M163-S192 WeakPolarHBondContact CE-OG 3.13Å | ||
| 164 | G | 74.5 | Confident | 87.9 | Confident | 18 Ų | 18 | 55.3 Ų | 55.3 | 19% | 0.186 | 29% | 0.286 | C | S | . | . | trans | 70.3 | 174.7 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | E162 | E162-G164 VanDerWaalsContact C-N 3.31Å; E162-G164 PolarHBondContact O-N 2.65Å | ||
| 165 | F | 64.8 | Low | 87.7 | Confident | 109 Ų | 109 | 55.5 Ų | 55.5 | 48% | 0.478 | 29% | 0.287 | S | S | . | . | S | Bend | trans | -122.3 | 11.9 | -172.9 | -55 | -76.1 | 0 | 0 | 0 | 114.4 | V40 | V40-F165 HydrophobicContact CG2-CB 4.4Å; V40-F165 WeakPolarHBondContact CG2-O 3.46Å |
| 166 | K | 67.1 | Low | 87.6 | Confident | 74 Ų | 74 | 58.2 Ų | 58.2 | 32% | 0.322 | 30% | 0.297 | S | S | . | . | trans | -89.1 | 133.5 | -176.1 | -71.4 | -166.7 | 178.5 | -175.5 | 0 | 111.9 | D168 F172 | K166-D168 HydrophobicContact CB-CB 4.45Å; K166-D168 PolarHBondContact O-N 3.32Å; K166-F172 WeakPolarHBondContact O-CE2 3.47Å; K166-F172 WeakPolarHBondContact O-CZ 3.44Å | ||
| 167 | E | 68.1 | Low | 87.5 | Confident | 141 Ų | 141 | 55.6 Ų | 55.6 | 66% | 0.659 | 29% | 0.293 | S | S | * | . | trans | -76.3 | 48.8 | 170.2 | -61.5 | -170.1 | 153.9 | 0 | 0 | 112.5 | P39 | P39-E167 WeakPolarHBondContact CD-OE1 3.22Å; P39-E167 WeakPolarHBondContact CG-OE1 3.48Å | ||
| 168 | D | 79.6 | Confident | 87.4 | Confident | 75 Ų | 75 | 55.7 Ų | 55.7 | 40% | 0.401 | 29% | 0.294 | S | S | . | . | trans | -118.5 | 114.2 | 179.6 | 177.7 | 3.8 | 0 | 0 | 0 | 110.2 | K166 E170 H171 F172 | K166-D168 HydrophobicContact CB-CB 4.45Å; K166-D168 PolarHBondContact O-N 3.32Å; D168-E170 VanDerWaalsContact C-N 3.28Å; D168-E170 PolarHBondContact O-N 2.94Å; D168-E170 PolarHBondContact OD1-N 3.35Å; D168-H171 HydrophobicContact CB-CB 3.8Å; D168-H171 WeakPolarHBondContact O-CB 3.09Å; D168-H171 PolarHBondContact O-N 2.84Å; D168-F172 VanDerWaalsContact O-CD2 3.28Å; D168-F172 WeakPolarHBondContact O-CD2 3.13Å; D168-F172 PolarHBondContact O-N 3.3Å | ||
| 169 | A | 83.6 | Confident | 87.3 | Confident | 70 Ų | 70 | 55 Ų | 55 | 58% | 0.579 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -63.2 | -33.7 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | F172 N173 | A169-F172 PolarHBondContact O-N 3.49Å; A169-N173 WeakPolarHBondContact O-CB 3.49Å; A169-N173 PolarHBondContact O-N 3.41Å; A169-N173 PolarHBondContact O-ND2 2.93Å; A169-N173 VanDerWaalsContact O-ND2 3.08Å |
| 170 | E | 84.3 | Confident | 87.2 | Confident | 134 Ų | 134 | 62.1 Ų | 62.1 | 63% | 0.626 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -70 | -44.7 | 178.4 | -171.6 | 173.6 | 178 | 0 | 0 | 110.6 | D168 F172 N173 I174 | D168-E170 VanDerWaalsContact C-N 3.28Å; D168-E170 PolarHBondContact O-N 2.94Å; D168-E170 PolarHBondContact OD1-N 3.35Å; E170-F172 PolarHBondContact O-N 3.46Å; E170-N173 PolarHBondContact O-N 2.77Å; E170-I174 HydrophobicContact CG-CD1 4.29Å; E170-I174 WeakPolarHBondContact O-CG1 3.43Å; E170-I174 PolarHBondContact O-N 3.43Å |
| 171 | H | 85.4 | Confident | 87.1 | Confident | 8 Ų | 8 | 64 Ų | 64 | 4% | 0.037 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -52.1 | -53 | 170.2 | 179.7 | 132.9 | 0 | 0 | 0 | 111.3 | D168 N173 I174 M175 F269 | D168-H171 HydrophobicContact CB-CB 3.8Å; D168-H171 WeakPolarHBondContact O-CB 3.09Å; D168-H171 PolarHBondContact O-N 2.84Å; H171-N173 VanDerWaalsContact C-N 3.3Å; H171-N173 PolarHBondContact O-N 2.82Å; H171-I174 PolarHBondContact O-N 2.99Å; H171-M175 WeakPolarHBondContact O-CB 3.5Å; H171-M175 PolarHBondContact O-N 2.93Å; H171-F269 AromaticContact CD2-CZ 3.95Å; H171-F269 AromaticContact CE1-CE2 3.08Å; H171-F269 WeakPolarHBondContact CE1-CE2 3.3Å; H171-F269 AromaticContact CE1-CZ 3.35Å; H171-F269 WeakPolarHBondContact CE1-CZ 3.41Å; H171-F269 AromaticContact CG-CE2 3.83Å; H171-F269 AromaticContact ND1-CD2 3.7Å; H171-F269 AromaticContact ND1-CE2 3.18Å; H171-F269 WeakPolarHBondContact ND1-CE2 3.4Å; H171-F269 AromaticContact ND1-CZ 3.8Å; H171-F269 AromaticContact NE2-CE2 3.65Å; H171-F269 AromaticContact NE2-CZ 3.42Å; H171-F269 WeakPolarHBondContact NE2-CZ 3.25Å |
| 172 | F | 87.9 | Confident | 87.1 | Confident | 72 Ų | 72 | 63.8 Ų | 63.8 | 32% | 0.316 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -61.4 | -38.1 | -179.1 | -83.2 | -61.1 | 0 | 0 | 0 | 112.5 | M163 K166 D168 A169 E170 M175 L176 | M163-F172 WeakPolarHBondContact O-CE1 3.32Å; K166-F172 WeakPolarHBondContact O-CE2 3.47Å; K166-F172 WeakPolarHBondContact O-CZ 3.44Å; D168-F172 VanDerWaalsContact O-CD2 3.28Å; D168-F172 WeakPolarHBondContact O-CD2 3.13Å; D168-F172 PolarHBondContact O-N 3.3Å; A169-F172 PolarHBondContact O-N 3.49Å; E170-F172 PolarHBondContact O-N 3.46Å; F172-M175 HydrophobicContact CD1-CE 3.68Å; F172-M175 HydrophobicContact CE1-CE 4.22Å; F172-M175 PolarHBondContact O-N 3.5Å; F172-L176 WeakPolarHBondContact O-CB 3.37Å; F172-L176 VanDerWaalsContact O-CG 3.25Å; F172-L176 WeakPolarHBondContact O-CG 3.44Å; F172-L176 PolarHBondContact O-N 2.88Å |
| 173 | N | 91.3 | Very high | 87.1 | Confident | 109 Ų | 109 | 66.5 Ų | 66.5 | 58% | 0.583 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -62.3 | -45.3 | 176.6 | -74.1 | -30.7 | 0 | 0 | 0 | 111.8 | A169 E170 H171 A177 | A169-N173 WeakPolarHBondContact O-CB 3.49Å; A169-N173 PolarHBondContact O-N 3.41Å; A169-N173 PolarHBondContact O-ND2 2.93Å; A169-N173 VanDerWaalsContact O-ND2 3.08Å; E170-N173 PolarHBondContact O-N 2.77Å; H171-N173 VanDerWaalsContact C-N 3.3Å; H171-N173 PolarHBondContact O-N 2.82Å; N173-A177 VanDerWaalsContact O-CB 3.23Å; N173-A177 WeakPolarHBondContact O-CB 3.47Å; N173-A177 PolarHBondContact O-N 3.31Å |
| 174 | I | 93.1 | Very high | 87.5 | Confident | 35 Ų | 35 | 66.6 Ų | 66.6 | 18% | 0.179 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -68.5 | -43.7 | 178.8 | -62 | 170 | 0 | 0 | 0 | 110.5 | E170 H171 A177 N178 T267 F269 | E170-I174 HydrophobicContact CG-CD1 4.29Å; E170-I174 WeakPolarHBondContact O-CG1 3.43Å; E170-I174 PolarHBondContact O-N 3.43Å; H171-I174 PolarHBondContact O-N 2.99Å; I174-A177 WeakPolarHBondContact O-CB 3.48Å; I174-A177 PolarHBondContact O-N 3.48Å; I174-N178 VanDerWaalsContact O-CG 3.28Å; I174-N178 PolarHBondContact O-N 3.28Å; I174-T267 HydrophobicContact CG2-CG2 4.22Å; I174-T267 WeakPolarHBondContact CG2-O 3.23Å; I174-F269 HydrophobicContact CB-CB 4.44Å; I174-F269 HydrophobicContact CB-CD1 4.2Å; I174-F269 HydrophobicContact CD1-CB 3.73Å; I174-F269 HydrophobicContact CG2-CB 4.22Å; I174-F269 HydrophobicContact CG2-CD1 3.77Å; I174-F269 HydrophobicContact CG2-CG 4.46Å |
| 175 | M | 93.9 | Very high | 88.3 | Confident | 14 Ų | 14 | 66.6 Ų | 66.6 | 7% | 0.069 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -59.1 | -49.5 | 177.1 | -179.8 | -76.2 | -66.8 | 0 | 0 | 111.6 | M163 H171 F172 A177 N178 I179 | M163-M175 HydrophobicContact CB-CE 3.74Å; M163-M175 HydrophobicContact CB-SD 4.32Å; M163-M175 HydrophobicContact CG-CE 4.09Å; M163-M175 HydrophobicContact CG-SD 4.36Å; M163-M175 WeakPolarHBondContact O-CE 3.35Å; H171-M175 WeakPolarHBondContact O-CB 3.5Å; H171-M175 PolarHBondContact O-N 2.93Å; F172-M175 HydrophobicContact CD1-CE 3.68Å; F172-M175 HydrophobicContact CE1-CE 4.22Å; F172-M175 PolarHBondContact O-N 3.5Å; M175-A177 VanDerWaalsContact C-N 3.32Å; M175-A177 PolarHBondContact O-N 2.81Å; M175-N178 WeakPolarHBondContact O-CB 3.49Å; M175-N178 PolarHBondContact O-N 2.82Å; M175-I179 PolarHBondContact O-N 2.89Å; M175-I179 HydrophobicContact SD-CD1 3.35Å; M175-I179 WeakPolarHBondContact SD-CD1 3.48Å; M175-I179 HydrophobicContact SD-CG1 4.06Å |
| 176 | L | 94.4 | Very high | 89.2 | Confident | 99 Ų | 99 | 65.7 Ų | 65.7 | 52% | 0.518 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -64.9 | -36.2 | 177.3 | -70.8 | 173.6 | 0 | 0 | 0 | 112 | F172 I179 K180 | F172-L176 WeakPolarHBondContact O-CB 3.37Å; F172-L176 VanDerWaalsContact O-CG 3.25Å; F172-L176 WeakPolarHBondContact O-CG 3.44Å; F172-L176 PolarHBondContact O-N 2.88Å; L176-I179 PolarHBondContact O-N 3.42Å; L176-K180 WeakPolarHBondContact O-CB 3.37Å; L176-K180 PolarHBondContact O-N 3.19Å |
| 177 | A | 96.1 | Very high | 90.7 | Very high | 47 Ų | 47 | 62.9 Ų | 62.9 | 39% | 0.388 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -62.7 | -43.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | N173 I174 M175 K180 T181 | N173-A177 VanDerWaalsContact O-CB 3.23Å; N173-A177 WeakPolarHBondContact O-CB 3.47Å; N173-A177 PolarHBondContact O-N 3.31Å; I174-A177 WeakPolarHBondContact O-CB 3.48Å; I174-A177 PolarHBondContact O-N 3.48Å; M175-A177 VanDerWaalsContact C-N 3.32Å; M175-A177 PolarHBondContact O-N 2.81Å; A177-K180 WeakPolarHBondContact O-CB 3.48Å; A177-K180 PolarHBondContact O-N 2.87Å; A177-T181 PolarHBondContact O-N 2.81Å; A177-T181 PolarHBondContact O-OG1 3.33Å; A177-T181 VanDerWaalsContact O-OG1 3.04Å |
| 178 | N | 96.6 | Very high | 92.1 | Very high | 2 Ų | 2 | 62.7 Ų | 62.7 | 1% | 0.011 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -62.5 | -45.7 | 176.1 | -71.7 | -18.6 | 0 | 0 | 0 | 112.1 | I174 M175 K180 T181 I182 I266 T267 | I174-N178 VanDerWaalsContact O-CG 3.28Å; I174-N178 PolarHBondContact O-N 3.28Å; M175-N178 WeakPolarHBondContact O-CB 3.49Å; M175-N178 PolarHBondContact O-N 2.82Å; N178-K180 VanDerWaalsContact C-N 3.31Å; N178-K180 PolarHBondContact O-N 3.35Å; N178-T181 PolarHBondContact O-N 3.4Å; N178-I182 WeakPolarHBondContact O-CG1 3.42Å; N178-I182 PolarHBondContact O-N 2.98Å; N178-I266 HydrophobicContact CB-CB 4.36Å; N178-I266 HydrophobicContact CB-CG2 4.16Å; N178-I266 WeakPolarHBondContact OD1-CA 3.3Å; N178-T267 PolarHBondContact ND2-O 2.62Å; N178-T267 PolarHBondContact OD1-N 2.96Å |
| 179 | I | 96.3 | Very high | 93 | Very high | 24 Ų | 24 | 59.6 Ų | 59.6 | 12% | 0.123 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -56.8 | -47.5 | 174.2 | -72.5 | -178.4 | 0 | 0 | 0 | 110.6 | T161 M175 L176 I182 L183 I190 | T161-I179 HydrophobicContact CG2-CD1 4.06Å; T161-I179 HydrophobicContact CG2-CG1 3.97Å; M175-I179 PolarHBondContact O-N 2.89Å; M175-I179 HydrophobicContact SD-CD1 3.35Å; M175-I179 WeakPolarHBondContact SD-CD1 3.48Å; M175-I179 HydrophobicContact SD-CG1 4.06Å; L176-I179 PolarHBondContact O-N 3.42Å; I179-I182 PolarHBondContact O-N 3.26Å; I179-L183 HydrophobicContact CG2-CD1 3.89Å; I179-L183 WeakPolarHBondContact O-CG 3.35Å; I179-L183 PolarHBondContact O-N 3Å; I179-I190 HydrophobicContact CB-CD1 4.47Å; I179-I190 HydrophobicContact CG2-CD1 3.94Å |
| 180 | K | 96.8 | Very high | 93.7 | Very high | 148 Ų | 148 | 57.6 Ų | 57.6 | 64% | 0.643 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -59.4 | -48.2 | 177 | 178.9 | -176.7 | 173.8 | -174.4 | 0 | 111.1 | L176 A177 N178 I182 L183 T184 | L176-K180 WeakPolarHBondContact O-CB 3.37Å; L176-K180 PolarHBondContact O-N 3.19Å; A177-K180 WeakPolarHBondContact O-CB 3.48Å; A177-K180 PolarHBondContact O-N 2.87Å; N178-K180 VanDerWaalsContact C-N 3.31Å; N178-K180 PolarHBondContact O-N 3.35Å; K180-I182 PolarHBondContact O-N 2.82Å; K180-L183 PolarHBondContact O-N 3.42Å; K180-T184 HydrophobicContact CG-CG2 4.49Å; K180-T184 WeakPolarHBondContact O-CG2 3.44Å; K180-T184 PolarHBondContact O-N 2.78Å; K180-T184 PolarHBondContact O-OG1 2.69Å |
| 181 | T | 96.3 | Very high | 94.3 | Very high | 43 Ų | 43 | 57.7 Ų | 57.7 | 26% | 0.264 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -56 | -51 | 178.8 | -61.8 | 0 | 0 | 0 | 0 | 110.6 | A177 N178 L183 T184 I185 E265 | A177-T181 PolarHBondContact O-N 2.81Å; A177-T181 PolarHBondContact O-OG1 3.33Å; A177-T181 VanDerWaalsContact O-OG1 3.04Å; N178-T181 PolarHBondContact O-N 3.4Å; T181-L183 PolarHBondContact O-N 3.09Å; T181-T184 WeakPolarHBondContact CA-OG1 3.44Å; T181-T184 PolarHBondContact O-N 2.77Å; T181-T184 PolarHBondContact O-OG1 2.78Å; T181-I185 WeakPolarHBondContact O-CG1 3.48Å; T181-I185 PolarHBondContact O-N 3.02Å; T181-E265 HydrophobicContact CG2-CB 3.96Å; T181-E265 WeakPolarHBondContact CG2-O 3.25Å |
| 182 | I | 96.8 | Very high | 94.9 | Very high | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -59.2 | -46.5 | 179 | -65.5 | -65.1 | 0 | 0 | 0 | 111.8 | I159 N178 I179 K180 T184 I185 V187 I190 Y212 I262 E265 I266 | I159-I182 HydrophobicContact CB-CG2 4.39Å; I159-I182 HydrophobicContact CG1-CG2 4.11Å; I159-I182 HydrophobicContact CG2-CG2 4.41Å; N178-I182 WeakPolarHBondContact O-CG1 3.42Å; N178-I182 PolarHBondContact O-N 2.98Å; I179-I182 PolarHBondContact O-N 3.26Å; K180-I182 PolarHBondContact O-N 2.82Å; I182-T184 PolarHBondContact O-N 2.85Å; I182-I185 HydrophobicContact CD1-CD1 4.13Å; I182-I185 PolarHBondContact O-N 2.77Å; I182-I185 VanDerWaalsContact O-N 3.1Å; I182-V187 HydrophobicContact CG2-CG1 3.97Å; I182-V187 HydrophobicContact CG2-CG2 4.07Å; I182-I190 HydrophobicContact CB-CD1 4.22Å; I182-I190 HydrophobicContact CG2-CD1 3.93Å; I182-I190 HydrophobicContact CG2-CG1 4.31Å; I182-Y212 HydrophobicContact CG1-CE1 4.14Å; I182-I262 HydrophobicContact CD1-CG1 4.29Å; I182-I262 HydrophobicContact CD1-CG2 4.27Å; I182-E265 HydrophobicContact CD1-CB 4.41Å; I182-I266 HydrophobicContact CD1-CG2 4.09Å; I182-I266 HydrophobicContact CG1-CG2 4.17Å |
| 183 | L | 96.1 | Very high | 95.3 | Very high | 82 Ų | 82 | 56.4 Ų | 56.4 | 43% | 0.429 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -62 | -26.7 | 177.4 | -73.1 | 171.3 | 0 | 0 | 0 | 113.2 | I179 K180 T181 V187 I190 | I179-L183 HydrophobicContact CG2-CD1 3.89Å; I179-L183 WeakPolarHBondContact O-CG 3.35Å; I179-L183 PolarHBondContact O-N 3Å; K180-L183 PolarHBondContact O-N 3.42Å; T181-L183 PolarHBondContact O-N 3.09Å; L183-V187 HydrophobicContact CD2-CG2 4.17Å; L183-I190 HydrophobicContact CD1-CD1 4.29Å; L183-I190 HydrophobicContact CD2-CB 4.36Å; L183-I190 HydrophobicContact CD2-CD1 3.92Å; L183-I190 HydrophobicContact CD2-CG1 3.86Å; L183-I190 HydrophobicContact CG-CD1 3.69Å; L183-I190 HydrophobicContact CG-CG1 4.22Å |
| 184 | T | 94.7 | Very high | 95.5 | Very high | 94 Ų | 94 | 52 Ų | 52 | 58% | 0.577 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.4 | -4.2 | 177.4 | 58.6 | 0 | 0 | 0 | 0 | 114.8 | K180 T181 I182 P186 | K180-T184 HydrophobicContact CG-CG2 4.49Å; K180-T184 WeakPolarHBondContact O-CG2 3.44Å; K180-T184 PolarHBondContact O-N 2.78Å; K180-T184 PolarHBondContact O-OG1 2.69Å; T181-T184 WeakPolarHBondContact CA-OG1 3.44Å; T181-T184 PolarHBondContact O-N 2.77Å; T181-T184 PolarHBondContact O-OG1 2.78Å; I182-T184 PolarHBondContact O-N 2.85Å; T184-P186 VanDerWaalsContact C-CD 3.43Å; T184-P186 WeakPolarHBondContact O-CD 3.44Å |
| 185 | I | 90.4 | Very high | 95.8 | Very high | 18 Ų | 18 | 50.4 Ų | 50.4 | 9% | 0.092 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84 | 28.2 | 170.8 | -56.3 | 162.2 | 0 | 0 | 0 | 111.4 | I154 T181 I182 V187 E265 | I154-I185 HydrophobicContact CD1-CD1 4.47Å; I154-I185 HydrophobicContact CD1-CG2 4.21Å; I154-I185 HydrophobicContact CG1-CG2 4.25Å; I154-I185 HydrophobicContact CG2-CG2 3.53Å; T181-I185 WeakPolarHBondContact O-CG1 3.48Å; T181-I185 PolarHBondContact O-N 3.02Å; I182-I185 HydrophobicContact CD1-CD1 4.13Å; I182-I185 PolarHBondContact O-N 2.77Å; I182-I185 VanDerWaalsContact O-N 3.1Å; I185-V187 VanDerWaalsContact C-N 3.34Å; I185-V187 PolarHBondContact O-N 2.77Å; I185-E265 HydrophobicContact CD1-CB 3.79Å; I185-E265 VanDerWaalsContact CD1-CD 3.48Å; I185-E265 HydrophobicContact CD1-CG 3.44Å; I185-E265 VanDerWaalsContact CD1-CG 3.44Å |
| 186 | P | 85.1 | Confident | 96 | Very high | 90 Ų | 90 | 50 Ų | 50 | 58% | 0.584 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 9.9 | 66.3 | -147.7 | 20 | -39.2 | 0 | 0 | 0 | 117.6 | S155 T184 | S155-P186 CarbonylContact C-O 3.53Å; S155-P186 WeakPolarHBondContact CA-O 3.47Å; T184-P186 VanDerWaalsContact C-CD 3.43Å; T184-P186 WeakPolarHBondContact O-CD 3.44Å |
| 187 | V | 97.3 | Very high | 96.2 | Very high | 15 Ų | 15 | 45.3 Ų | 45.3 | 9% | 0.091 | 25% | 0.247 | C | C | . | . | trans | -64.3 | 157.4 | 163.6 | -59.7 | 0 | 0 | 0 | 0 | 110.6 | I154 I159 I182 L183 I185 G189 | I154-V187 HydrophobicContact CG1-CG1 3.89Å; I154-V187 WeakPolarHBondContact O-CG1 3.46Å; I159-V187 HydrophobicContact CG1-CB 4.3Å; I159-V187 HydrophobicContact CG1-CG1 3.91Å; I182-V187 HydrophobicContact CG2-CG1 3.97Å; I182-V187 HydrophobicContact CG2-CG2 4.07Å; L183-V187 HydrophobicContact CD2-CG2 4.17Å; I185-V187 VanDerWaalsContact C-N 3.34Å; I185-V187 PolarHBondContact O-N 2.77Å; V187-G189 PolarHBondContact O-N 3.3Å | ||
| 188 | H | 98.3 | Very high | 96.3 | Very high | 138 Ų | 138 | 43 Ų | 43 | 64% | 0.639 | 23% | 0.229 | S | C | * | . | S | Bend | trans | -64.3 | -24.2 | 174.1 | -73.6 | 164.7 | 0 | 0 | 0 | 113 | S155 E156 S157 | S155-H188 PolarHBondContact O-CD2 2.53Å; E156-H188 VanDerWaalsContact CA-CE1 3.5Å; E156-H188 WeakPolarHBondContact CA-CE1 3.34Å; E156-H188 PolarHBondContact O-CE1 2.94Å; E156-H188 PolarHBondContact O-ND1 3.28Å; S157-H188 WeakPolarHBondContact O-CB 3.23Å; S157-H188 PolarHBondContact O-N 3.02Å |
| 189 | G | 97.8 | Very high | 96.4 | Very high | 9 Ų | 9 | 43 Ų | 43 | 9% | 0.093 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 161.7 | -177.9 | 167.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | I159 V187 | I159-G189 PolarHBondContact N-O 3.44Å; V187-G189 PolarHBondContact O-N 3.3Å |
| 190 | I | 98.3 | Very high | 96.5 | Very high | 28 Ų | 28 | 41.8 Ų | 41.8 | 14% | 0.144 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 146.5 | 172.4 | -66.7 | 176.8 | 0 | 0 | 0 | 109.7 | I159 T161 I179 I182 L183 | I159-I190 HydrophobicContact CB-CG1 4.33Å; I159-I190 CarbonylContact O-C 3.39Å; I159-I190 WeakPolarHBondContact O-CA 3.45Å; T161-I190 HydrophobicContact CG2-CG2 3.89Å; I179-I190 HydrophobicContact CB-CD1 4.47Å; I179-I190 HydrophobicContact CG2-CD1 3.94Å; I182-I190 HydrophobicContact CB-CD1 4.22Å; I182-I190 HydrophobicContact CG2-CD1 3.93Å; I182-I190 HydrophobicContact CG2-CG1 4.31Å; L183-I190 HydrophobicContact CD1-CD1 4.29Å; L183-I190 HydrophobicContact CD2-CB 4.36Å; L183-I190 HydrophobicContact CD2-CD1 3.92Å; L183-I190 HydrophobicContact CD2-CG1 3.86Å; L183-I190 HydrophobicContact CG-CD1 3.69Å; L183-I190 HydrophobicContact CG-CG1 4.22Å |
| 191 | R | 98.3 | Very high | 96.6 | Very high | 136 Ų | 136 | 34.8 Ų | 34.8 | 51% | 0.513 | 19% | 0.192 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 155.5 | 166.2 | -53.7 | -71.9 | -179.4 | -83.7 | -3.3 | 110.5 | L158 I159 L160 T161 | L158-R191 HydrophobicContact CD1-CG 4.15Å; L158-R191 HydrophobicContact CD2-CG 4.48Å; I159-R191 PolarHBondContact O-N 3.49Å; L160-R191 WeakPolarHBondContact CA-O 3.48Å; L160-R191 HydrophobicContact CD2-CB 3.58Å; L160-R191 HydrophobicContact CD2-CG 4.27Å; T161-R191 PolarHBondContact N-O 3.18Å |
| 192 | S | 97.4 | Very high | 96.8 | Very high | 40 Ų | 40 | 34 Ų | 34 | 28% | 0.28 | 19% | 0.186 | S | C | . | . | trans | -138.7 | 79.4 | 179.5 | -57.2 | 0 | 0 | 0 | 0 | 110 | T161 E162 M163 G194 | T161-S192 WeakPolarHBondContact O-CA 3.36Å; T161-S192 VanDerWaalsContact O-CB 3.26Å; T161-S192 WeakPolarHBondContact O-CB 3.43Å; T161-S192 PolarHBondContact O-OG 2.92Å; E162-S192 VanDerWaalsContact OE1-C 3.25Å; E162-S192 VanDerWaalsContact OE1-CA 3.3Å; E162-S192 WeakPolarHBondContact OE1-CA 3.19Å; E162-S192 WeakPolarHBondContact OE2-CB 3.27Å; M163-S192 WeakPolarHBondContact CE-OG 3.13Å; S192-G194 PolarHBondContact O-N 2.54Å | ||
| 193 | P | 96.4 | Very high | 96.9 | Very high | 13 Ų | 13 | 34 Ų | 34 | 8% | 0.084 | 19% | 0.186 | C | C | . | . | trans | -62.8 | -20.4 | 176.7 | -26.8 | 37.1 | 0 | 0 | 0 | 115.7 | N97 F102 F104 E162 N199 L202 | N97-P193 PolarHBondContact ND2-O 3.25Å; F102-P193 WeakPolarHBondContact CE1-O 3.17Å; F104-P193 HydrophobicContact CD2-CB 3.96Å; F104-P193 HydrophobicContact CE2-CB 4.31Å; F104-P193 HydrophobicContact CG-CB 4.12Å; E162-P193 WeakPolarHBondContact OE1-CD 3.18Å; P193-N199 WeakPolarHBondContact CB-OD1 3.5Å; P193-N199 WeakPolarHBondContact CD-OD1 3.38Å; P193-N199 WeakPolarHBondContact CG-OD1 3.37Å; P193-L202 HydrophobicContact CG-CD1 3.97Å | ||
| 194 | G | 96.2 | Very high | 97 | Very high | 18 Ų | 18 | 30.1 Ų | 30.1 | 19% | 0.186 | 17% | 0.166 | C | C | . | . | S | Bend | trans | 87.9 | 15.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 116 | G94 N97 E162 S192 | G94-G194 WeakPolarHBondContact CA-O 3.41Å; N97-G194 PolarHBondContact ND2-O 3.42Å; E162-G194 VanDerWaalsContact CD-N 3.31Å; E162-G194 PolarHBondContact OE1-N 3.13Å; E162-G194 WeakPolarHBondContact OE2-CA 3.42Å; E162-G194 PolarHBondContact OE2-N 3.32Å; S192-G194 PolarHBondContact O-N 2.54Å |
| 195 | S | 97.7 | Very high | 97.2 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 15% | 0.15 | C | C | . | . | trans | -141.3 | 121 | 172.2 | 150.7 | 0 | 0 | 0 | 0 | 109.2 | D93 S106 V198 N199 | D93-S195 VanDerWaalsContact CG-OG 3.29Å; D93-S195 VanDerWaalsContact OD2-C 3.29Å; D93-S195 WeakPolarHBondContact OD2-CA 3.48Å; D93-S195 WeakPolarHBondContact OD2-CB 3.29Å; D93-S195 PolarHBondContact OD2-OG 3.31Å; S106-S195 PolarHBondContact OG-OG 2.96Å; S195-V198 PolarHBondContact O-N 3.06Å; S195-V198 WeakPolarHBondContact OG-CB 3.41Å; S195-V198 VanDerWaalsContact OG-CG2 3.23Å; S195-V198 WeakPolarHBondContact OG-CG2 3.4Å; S195-V198 PolarHBondContact OG-N 2.81Å; S195-N199 WeakPolarHBondContact O-CB 3.43Å; S195-N199 PolarHBondContact O-N 3.39Å; S195-N199 PolarHBondContact O-ND2 2.89Å | ||
| 196 | A | 98.3 | Very high | 97.6 | Very high | 6 Ų | 6 | 27.9 Ų | 27.9 | 5% | 0.05 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -65.7 | -41.4 | -176.1 | 0 | 0 | 0 | 0 | 0 | 112 | D93 N199 M200 Y211 I216 D220 | D93-A196 PolarHBondContact OD1-N 3.3Å; D93-A196 PolarHBondContact OD2-N 3.02Å; A196-N199 WeakPolarHBondContact O-CB 3.03Å; A196-N199 PolarHBondContact O-N 3.48Å; A196-M200 WeakPolarHBondContact O-CG 3.47Å; A196-M200 PolarHBondContact O-N 2.78Å; A196-Y211 HydrophobicContact CB-CE1 4.34Å; A196-Y211 WeakPolarHBondContact CB-OH 3.35Å; A196-I216 HydrophobicContact CB-CD1 4.24Å; A196-I216 HydrophobicContact CB-CG2 4.35Å; A196-D220 HydrophobicContact CB-CB 3.97Å |
| 197 | A | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -61.9 | -46.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | D93 V122 N199 M200 C201 | D93-A197 HydrophobicContact CB-CB 4.37Å; D93-A197 WeakPolarHBondContact OD2-CA 3.39Å; D93-A197 WeakPolarHBondContact OD2-CB 3.35Å; D93-A197 PolarHBondContact OD2-N 2.87Å; V122-A197 HydrophobicContact CG1-CB 3.71Å; V122-A197 HydrophobicContact CG2-CB 4.09Å; A197-N199 PolarHBondContact O-N 3.07Å; A197-M200 PolarHBondContact O-N 3.11Å; A197-C201 PolarHBondContact O-N 3.11Å; A197-C201 PolarHBondContact O-SG 3.1Å |
| 198 | V | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -63 | -41.6 | 174.7 | 171.7 | 0 | 0 | 0 | 0 | 111.1 | F104 S195 M200 C201 L202 | F104-V198 HydrophobicContact CD1-CG1 3.88Å; F104-V198 HydrophobicContact CG-CG1 4.5Å; S195-V198 PolarHBondContact O-N 3.06Å; S195-V198 WeakPolarHBondContact OG-CB 3.41Å; S195-V198 VanDerWaalsContact OG-CG2 3.23Å; S195-V198 WeakPolarHBondContact OG-CG2 3.4Å; S195-V198 PolarHBondContact OG-N 2.81Å; V198-M200 PolarHBondContact O-N 3.23Å; V198-C201 CarbonylContact O-C 3.47Å; V198-C201 WeakPolarHBondContact O-CB 3.47Å; V198-C201 PolarHBondContact O-N 2.99Å; V198-C201 VanDerWaalsContact O-N 3.09Å; V198-L202 HydrophobicContact CG1-CD1 4.08Å; V198-L202 HydrophobicContact CG1-CG 4.21Å; V198-L202 WeakPolarHBondContact O-CG 3.47Å; V198-L202 PolarHBondContact O-N 3.18Å |
| 199 | N | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -58.5 | -45.8 | 177.5 | -73.8 | -19.4 | 0 | 0 | 0 | 112.3 | L160 E162 P193 S195 A196 A197 C201 L202 V203 Y211 | L160-N199 HydrophobicContact CB-CB 4.43Å; L160-N199 HydrophobicContact CD1-CB 3.91Å; L160-N199 WeakPolarHBondContact CD1-O 2.92Å; E162-N199 PolarHBondContact OE1-ND2 3.46Å; P193-N199 WeakPolarHBondContact CB-OD1 3.5Å; P193-N199 WeakPolarHBondContact CD-OD1 3.38Å; P193-N199 WeakPolarHBondContact CG-OD1 3.37Å; S195-N199 WeakPolarHBondContact O-CB 3.43Å; S195-N199 PolarHBondContact O-N 3.39Å; S195-N199 PolarHBondContact O-ND2 2.89Å; A196-N199 WeakPolarHBondContact O-CB 3.03Å; A196-N199 PolarHBondContact O-N 3.48Å; A197-N199 PolarHBondContact O-N 3.07Å; N199-C201 VanDerWaalsContact C-N 3.33Å; N199-C201 PolarHBondContact O-N 2.78Å; N199-L202 PolarHBondContact O-N 2.78Å; N199-V203 PolarHBondContact O-N 2.86Å; N199-V203 VanDerWaalsContact O-N 3.17Å; N199-Y211 HydrophobicContact CB-CD1 4.14Å; N199-Y211 HydrophobicContact CB-CD2 3.7Å; N199-Y211 HydrophobicContact CB-CE1 4.31Å; N199-Y211 HydrophobicContact CB-CE2 3.89Å; N199-Y211 HydrophobicContact CB-CG 3.83Å; N199-Y211 WeakPolarHBondContact ND2-CE2 3.06Å |
| 200 | M | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -62.5 | -40.8 | 174.1 | -67.7 | -175 | -75.4 | 0 | 0 | 111.7 | A196 A197 V198 L202 V203 A204 Y211 D220 V228 L250 V252 | A196-M200 WeakPolarHBondContact O-CG 3.47Å; A196-M200 PolarHBondContact O-N 2.78Å; A197-M200 PolarHBondContact O-N 3.11Å; V198-M200 PolarHBondContact O-N 3.23Å; M200-L202 VanDerWaalsContact C-N 3.34Å; M200-L202 PolarHBondContact O-N 3.46Å; M200-V203 WeakPolarHBondContact O-CB 3.32Å; M200-V203 PolarHBondContact O-N 3.45Å; M200-A204 PolarHBondContact O-N 2.84Å; M200-Y211 HydrophobicContact CG-CD1 3.73Å; M200-Y211 HydrophobicContact CG-CE1 4.11Å; M200-D220 WeakPolarHBondContact CE-O 3.29Å; M200-V228 HydrophobicContact CB-CG2 3.89Å; M200-V228 WeakPolarHBondContact O-CG2 3.47Å; M200-L250 HydrophobicContact SD-CD1 4.23Å; M200-V252 HydrophobicContact CG-CG1 4.48Å; M200-V252 HydrophobicContact CG-CG2 3.93Å; M200-V252 HydrophobicContact SD-CG1 4.49Å |
| 201 | C | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -65.1 | -34.3 | 176.7 | -69.9 | 0 | 0 | 0 | 0 | 113.4 | Y131 A197 V198 N199 V203 A204 S205 | Y131-C201 HydrophobicContact CD1-CB 3.73Å; Y131-C201 HydrophobicContact CD2-CB 3.9Å; Y131-C201 HydrophobicContact CE1-CB 3.75Å; Y131-C201 HydrophobicContact CE2-CB 3.94Å; Y131-C201 HydrophobicContact CG-CB 3.8Å; Y131-C201 VanDerWaalsContact CG-SG 3.59Å; A197-C201 PolarHBondContact O-N 3.11Å; A197-C201 PolarHBondContact O-SG 3.1Å; V198-C201 CarbonylContact O-C 3.47Å; V198-C201 WeakPolarHBondContact O-CB 3.47Å; V198-C201 PolarHBondContact O-N 2.99Å; V198-C201 VanDerWaalsContact O-N 3.09Å; N199-C201 VanDerWaalsContact C-N 3.33Å; N199-C201 PolarHBondContact O-N 2.78Å; C201-V203 VanDerWaalsContact C-N 3.34Å; C201-A204 PolarHBondContact O-N 3.03Å; C201-S205 PolarHBondContact O-N 2.84Å; C201-S205 PolarHBondContact O-OG 2.9Å |
| 202 | L | 98.9 | Very high | 98.4 | Very high | 28 Ų | 28 | 12.6 Ų | 12.6 | 15% | 0.147 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -65.6 | -36.5 | 173.3 | -70.9 | 172 | 0 | 0 | 0 | 111.9 | L160 P193 V198 N199 M200 S205 G206 S207 A208 | L160-L202 HydrophobicContact CD1-CB 3.92Å; L160-L202 HydrophobicContact CD1-CD1 4.13Å; P193-L202 HydrophobicContact CG-CD1 3.97Å; V198-L202 HydrophobicContact CG1-CD1 4.08Å; V198-L202 HydrophobicContact CG1-CG 4.21Å; V198-L202 WeakPolarHBondContact O-CG 3.47Å; V198-L202 PolarHBondContact O-N 3.18Å; N199-L202 PolarHBondContact O-N 2.78Å; M200-L202 VanDerWaalsContact C-N 3.34Å; M200-L202 PolarHBondContact O-N 3.46Å; L202-S205 PolarHBondContact O-OG 2.86Å; L202-G206 PolarHBondContact O-N 3.27Å; L202-S207 WeakPolarHBondContact O-CA 3.4Å; L202-S207 WeakPolarHBondContact O-CB 3.38Å; L202-S207 PolarHBondContact O-N 3.42Å; L202-A208 PolarHBondContact O-N 3.04Å; L202-A208 VanDerWaalsContact O-N 3.17Å |
| 203 | V | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 11.2 Ų | 11.2 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -65.9 | -47.1 | 170.7 | 176.7 | 0 | 0 | 0 | 0 | 110.3 | L160 N199 M200 C201 S205 G206 A208 V252 | L160-V203 HydrophobicContact CD1-CG2 4.34Å; N199-V203 PolarHBondContact O-N 2.86Å; N199-V203 VanDerWaalsContact O-N 3.17Å; M200-V203 WeakPolarHBondContact O-CB 3.32Å; M200-V203 PolarHBondContact O-N 3.45Å; C201-V203 VanDerWaalsContact C-N 3.34Å; V203-S205 PolarHBondContact O-N 3.49Å; V203-G206 PolarHBondContact O-N 2.95Å; V203-A208 WeakPolarHBondContact CA-O 3.49Å; V203-A208 HydrophobicContact CG2-CB 4.22Å; V203-V252 HydrophobicContact CB-CG2 4.49Å; V203-V252 HydrophobicContact CG2-CG2 4.31Å |
| 204 | A | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 11 Ų | 11 | 0% | 0 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -60.5 | -31 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | I146 K147 V148 M200 C201 G206 V227 V228 A231 | I146-A204 HydrophobicContact CD1-CB 4.02Å; K147-A204 CarbonylContact C-O 3.54Å; K147-A204 PolarHBondContact N-O 2.99Å; V148-A204 PolarHBondContact N-O 2.83Å; M200-A204 PolarHBondContact O-N 2.84Å; C201-A204 PolarHBondContact O-N 3.03Å; A204-G206 VanDerWaalsContact C-N 3.32Å; A204-V227 HydrophobicContact CB-CG1 3.71Å; A204-V228 HydrophobicContact CB-CG2 4.04Å; A204-A231 HydrophobicContact CB-CB 3.85Å; A204-A231 WeakPolarHBondContact O-CB 3.37Å |
| 205 | S | 98.6 | Very high | 98.1 | Very high | 35 Ų | 35 | 10.9 Ų | 10.9 | 25% | 0.245 | 8% | 0.077 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.4 | 1.4 | 174.6 | 63.9 | 0 | 0 | 0 | 0 | 114.4 | K147 C201 L202 V203 S207 | K147-S205 CarbonylContact O-C 3.44Å; C201-S205 PolarHBondContact O-N 2.84Å; C201-S205 PolarHBondContact O-OG 2.9Å; L202-S205 PolarHBondContact O-OG 2.86Å; V203-S205 PolarHBondContact O-N 3.49Å; S205-S207 PolarHBondContact O-N 3.48Å; S205-S207 PolarHBondContact OG-OG 2.84Å |
| 206 | G | 98.6 | Very high | 98 | Very high | 29 Ų | 29 | 11.4 Ų | 11.4 | 30% | 0.299 | 8% | 0.08 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 69.4 | 17.5 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | K147 L202 V203 A204 | K147-G206 PolarHBondContact O-N 3.19Å; L202-G206 PolarHBondContact O-N 3.27Å; V203-G206 PolarHBondContact O-N 2.95Å; A204-G206 VanDerWaalsContact C-N 3.32Å |
| 207 | S | 98.5 | Very high | 97.9 | Very high | 72 Ų | 72 | 13.5 Ų | 13.5 | 50% | 0.503 | 9% | 0.089 | S | C | . | . | S | Bend | trans | -81.5 | -20.6 | 175.8 | -54 | 0 | 0 | 0 | 0 | 112.4 | L202 S205 | L202-S207 WeakPolarHBondContact O-CA 3.4Å; L202-S207 WeakPolarHBondContact O-CB 3.38Å; L202-S207 PolarHBondContact O-N 3.42Å; S205-S207 PolarHBondContact O-N 3.48Å; S205-S207 PolarHBondContact OG-OG 2.84Å |
| 208 | A | 98.8 | Very high | 97.9 | Very high | 2 Ų | 2 | 13.5 Ų | 13.5 | 2% | 0.017 | 9% | 0.089 | C | C | . | . | S | Bend | trans | -136.9 | 164.6 | 166.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | L158 L160 L202 V203 | L158-A208 HydrophobicContact CD2-CB 4.47Å; L160-A208 HydrophobicContact CD1-CB 3.64Å; L160-A208 HydrophobicContact CD2-CB 3.98Å; L160-A208 HydrophobicContact CG-CB 3.62Å; L202-A208 PolarHBondContact O-N 3.04Å; L202-A208 VanDerWaalsContact O-N 3.17Å; V203-A208 WeakPolarHBondContact CA-O 3.49Å; V203-A208 HydrophobicContact CG2-CB 4.22Å |
| 209 | D | 98.9 | Very high | 97.9 | Very high | 17 Ų | 17 | 14 Ų | 14 | 9% | 0.091 | 9% | 0.091 | C | C | . | . | S | Bend | trans | -100.4 | -26.3 | -174.1 | -62.4 | -62.7 | 0 | 0 | 0 | 113 | S149 Q151 S157 L158 A253 S254 | S149-D209 VanDerWaalsContact CB-OD1 3.31Å; S149-D209 WeakPolarHBondContact CB-OD1 3.39Å; S149-D209 PolarHBondContact OG-OD1 2.73Å; Q151-D209 VanDerWaalsContact CB-OD1 3.28Å; Q151-D209 WeakPolarHBondContact CB-OD1 3.26Å; S157-D209 VanDerWaalsContact CA-OD2 3.25Å; S157-D209 WeakPolarHBondContact CA-OD2 3.37Å; L158-D209 PolarHBondContact N-OD2 3Å; L158-D209 PolarHBondContact O-N 3.35Å; D209-A253 CarbonylContact O-C 3.52Å; D209-A253 VanDerWaalsContact O-CA 3.31Å; D209-A253 WeakPolarHBondContact O-CA 3.46Å; D209-S254 PolarHBondContact O-N 2.67Å; D209-S254 PolarHBondContact O-OG 3.18Å |
| 210 | A | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 14.8 Ų | 14.8 | 0% | 0 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.5 | 159.7 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | I159 L160 V252 A253 I258 I262 | I159-A210 CarbonylContact C-O 3.02Å; I159-A210 HydrophobicContact CD1-CB 3.91Å; L160-A210 PolarHBondContact N-O 2.9Å; A210-V252 CarbonylContact C-O 3.57Å; A210-V252 WeakPolarHBondContact CA-O 3.44Å; A210-V252 VanDerWaalsContact CB-O 3.29Å; A210-V252 WeakPolarHBondContact CB-O 3.44Å; A210-A253 HydrophobicContact CB-CB 3.8Å; A210-I258 HydrophobicContact CB-CG2 3.84Å; A210-I262 HydrophobicContact CB-CD1 3.44Å; A210-I262 VanDerWaalsContact CB-CD1 3.44Å |
| 211 | Y | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 14.8 Ų | 14.8 | 0% | 0 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 132 | 168.1 | 166.9 | -117.3 | 0 | 0 | 0 | 108.1 | L160 A196 N199 M200 H213 I216 L250 I251 V252 | L160-Y211 HydrophobicContact CB-CD2 3.78Å; L160-Y211 HydrophobicContact CB-CG 4.32Å; L160-Y211 WeakPolarHBondContact O-CA 3.38Å; L160-Y211 WeakPolarHBondContact O-CD2 3.04Å; A196-Y211 HydrophobicContact CB-CE1 4.34Å; A196-Y211 WeakPolarHBondContact CB-OH 3.35Å; N199-Y211 HydrophobicContact CB-CD1 4.14Å; N199-Y211 HydrophobicContact CB-CD2 3.7Å; N199-Y211 HydrophobicContact CB-CE1 4.31Å; N199-Y211 HydrophobicContact CB-CE2 3.89Å; N199-Y211 HydrophobicContact CB-CG 3.83Å; N199-Y211 WeakPolarHBondContact ND2-CE2 3.06Å; M200-Y211 HydrophobicContact CG-CD1 3.73Å; M200-Y211 HydrophobicContact CG-CE1 4.11Å; Y211-H213 HydrophobicContact CE1-CB 4.16Å; Y211-H213 HydrophobicContact CE2-CB 4Å; Y211-H213 VanDerWaalsContact OH-CB 3.25Å; Y211-H213 WeakPolarHBondContact OH-CB 3.37Å; Y211-I216 HydrophobicContact CE1-CD1 4.27Å; Y211-L250 HydrophobicContact CD1-CD1 4.01Å; Y211-L250 HydrophobicContact CE1-CD1 4.23Å; Y211-I251 CarbonylContact O-C 3.55Å; Y211-I251 WeakPolarHBondContact O-CA 3.38Å; Y211-V252 HydrophobicContact CD1-CG2 4Å; Y211-V252 HydrophobicContact CG-CG2 4.32Å; Y211-V252 PolarHBondContact N-O 2.77Å; Y211-V252 PolarHBondContact O-N 3.45Å |
| 212 | Y | 98.4 | Very high | 97.9 | Very high | 5 Ų | 5 | 14.8 Ų | 14.8 | 2% | 0.02 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 143.3 | 171 | 75.9 | -85.4 | 0 | 0 | 0 | 110.2 | I159 L160 T161 I182 L250 I262 I266 | I159-Y212 HydrophobicContact CG2-CD1 3.89Å; I159-Y212 HydrophobicContact CG2-CE1 3.91Å; L160-Y212 PolarHBondContact O-N 3.31Å; T161-Y212 WeakPolarHBondContact CB-O 3.44Å; T161-Y212 HydrophobicContact CG2-CE1 4.15Å; T161-Y212 PolarHBondContact OG1-O 3.01Å; I182-Y212 HydrophobicContact CG1-CE1 4.14Å; Y212-L250 WeakPolarHBondContact CA-O 3.38Å; Y212-I262 HydrophobicContact CD1-CG2 4.06Å; Y212-I262 HydrophobicContact CG-CG2 4.09Å; Y212-I266 HydrophobicContact CD2-CD1 3.99Å; Y212-I266 HydrophobicContact CD2-CG2 4.36Å; Y212-I266 HydrophobicContact CE2-CG2 4.05Å; Y212-I266 HydrophobicContact CG-CD1 4.49Å |
| 213 | H | 96.9 | Very high | 97.9 | Very high | 10 Ų | 10 | 13.5 Ų | 13.5 | 5% | 0.046 | 9% | 0.088 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.6 | 150.6 | 175.9 | -158.2 | -82.2 | 0 | 0 | 0 | 111.7 | Y211 I216 R249 L250 | Y211-H213 HydrophobicContact CE1-CB 4.16Å; Y211-H213 HydrophobicContact CE2-CB 4Å; Y211-H213 VanDerWaalsContact OH-CB 3.25Å; Y211-H213 WeakPolarHBondContact OH-CB 3.37Å; H213-I216 HydrophobicContact CB-CD1 3.94Å; H213-I216 HydrophobicContact CB-CG1 4.15Å; H213-I216 WeakPolarHBondContact ND1-CG2 3.37Å; H213-R249 WeakPolarHBondContact O-CA 3.4Å; H213-L250 PolarHBondContact N-O 2.78Å; H213-L250 PolarHBondContact O-N 2.96Å |
| 214 | M | 94.8 | Very high | 97.9 | Very high | 8 Ų | 8 | 13.5 Ų | 13.5 | 4% | 0.039 | 9% | 0.088 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 133.2 | 174.1 | -66.6 | 175.9 | -84.5 | 0 | 0 | 108.3 | V238 R248 R249 I266 E268 F269 V271 | M214-V238 HydrophobicContact CG-CB 4.48Å; M214-V238 HydrophobicContact CG-CG1 3.79Å; M214-V238 HydrophobicContact CG-CG2 4.19Å; M214-V238 HydrophobicContact SD-CB 4.41Å; M214-V238 HydrophobicContact SD-CG1 4.26Å; M214-V238 HydrophobicContact SD-CG2 4.03Å; M214-R248 CarbonylContact C-O 3.59Å; M214-R249 HydrophobicContact CB-CG 4.25Å; M214-R249 HydrophobicContact CG-CB 4.21Å; M214-R249 HydrophobicContact CG-CG 3.94Å; M214-I266 HydrophobicContact CE-CD1 4.48Å; M214-E268 HydrophobicContact SD-CB 4.47Å; M214-F269 HydrophobicContact CB-CE1 3.91Å; M214-F269 HydrophobicContact CB-CE2 4.04Å; M214-F269 HydrophobicContact CB-CZ 3.55Å; M214-F269 HydrophobicContact CE-CD1 3.86Å; M214-F269 HydrophobicContact CE-CE1 3.54Å; M214-F269 HydrophobicContact CE-CZ 4.4Å; M214-F269 HydrophobicContact SD-CD1 4.11Å; M214-F269 HydrophobicContact SD-CE1 4.04Å; M214-V271 HydrophobicContact CB-CG1 4.17Å |
| 215 | G | 92.3 | Very high | 97.9 | Very high | 16 Ų | 16 | 13.5 Ų | 13.5 | 17% | 0.165 | 9% | 0.088 | C | C | . | . | S | Bend | trans | 92.1 | 17.1 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | R248 | G215-R248 VanDerWaalsContact C-NH2 3.32Å; G215-R248 PolarHBondContact N-O 3.18Å; G215-R248 PolarHBondContact O-NH2 3.1Å |
| 216 | I | 94.6 | Very high | 97.9 | Very high | 12 Ų | 12 | 12.2 Ų | 12.2 | 6% | 0.062 | 8% | 0.08 | C | C | . | . | trans | -89.8 | 170.3 | 163.4 | 48.6 | 170.5 | 0 | 0 | 0 | 109.7 | A196 Y211 H213 D220 M221 R248 L250 | A196-I216 HydrophobicContact CB-CD1 4.24Å; A196-I216 HydrophobicContact CB-CG2 4.35Å; Y211-I216 HydrophobicContact CE1-CD1 4.27Å; H213-I216 HydrophobicContact CB-CD1 3.94Å; H213-I216 HydrophobicContact CB-CG1 4.15Å; H213-I216 WeakPolarHBondContact ND1-CG2 3.37Å; I216-D220 WeakPolarHBondContact CA-OD2 3.33Å; I216-D220 HydrophobicContact CB-CB 3.93Å; I216-D220 VanDerWaalsContact CB-OD2 3.24Å; I216-D220 WeakPolarHBondContact CB-OD2 3.15Å; I216-D220 HydrophobicContact CD1-CB 4.4Å; I216-D220 HydrophobicContact CG2-CB 4.39Å; I216-M221 HydrophobicContact CD1-CG 3.73Å; I216-M221 HydrophobicContact CD1-SD 4.27Å; I216-M221 HydrophobicContact CG1-CG 4.21Å; I216-M221 HydrophobicContact CG1-SD 4.33Å; I216-R248 PolarHBondContact N-O 2.78Å; I216-R248 WeakPolarHBondContact O-CA 3.38Å; I216-R248 WeakPolarHBondContact O-CB 3.44Å; I216-R248 WeakPolarHBondContact O-CG 3.5Å; I216-R248 PolarHBondContact O-NE 3.42Å; I216-L250 HydrophobicContact CD1-CD2 3.18Å; I216-L250 HydrophobicContact CD1-CG 4.27Å; I216-L250 HydrophobicContact CG1-CD2 4.1Å | ||
| 217 | H | 97.5 | Very high | 97.9 | Very high | 49 Ų | 49 | 10.9 Ų | 10.9 | 23% | 0.227 | 7% | 0.065 | C | C | . | . | trans | -113.3 | 167.6 | -173.3 | -68.2 | -81.5 | 0 | 0 | 0 | 111.4 | W219 D220 M221 R248 D274 | H217-W219 HydrophobicContact CB-CD2 3.66Å; H217-W219 HydrophobicContact CB-CE3 4.11Å; H217-W219 HydrophobicContact CB-CG 4.24Å; H217-W219 HydrophobicContact CB-CH2 3.83Å; H217-W219 HydrophobicContact CB-CZ2 3.35Å; H217-W219 HydrophobicContact CB-CZ3 4.18Å; H217-W219 AromaticContact CD2-CZ2 3.73Å; H217-W219 AromaticContact CG-CE2 3.74Å; H217-W219 AromaticContact CG-CH2 3.79Å; H217-W219 AromaticContact CG-CZ2 3.32Å; H217-W219 AromaticContact ND1-CH2 3.79Å; H217-W219 AromaticContact ND1-CZ2 3.75Å; H217-W219 PolarHBondContact O-N 3.44Å; H217-W219 VanDerWaalsContact O-N 3.16Å; H217-D220 PolarHBondContact N-OD2 2.84Å; H217-D220 WeakPolarHBondContact O-CB 3.4Å; H217-D220 PolarHBondContact O-N 2.83Å; H217-D220 VanDerWaalsContact O-N 3.11Å; H217-M221 VanDerWaalsContact C-CE 3.47Å; H217-M221 VanDerWaalsContact O-CE 3.32Å; H217-M221 WeakPolarHBondContact O-CE 3.43Å; H217-M221 WeakPolarHBondContact O-CG 3.36Å; H217-M221 PolarHBondContact O-N 3.09Å; H217-R248 PolarHBondContact NE2-NH2 2.95Å; H217-R248 VanDerWaalsContact NE2-NH2 3.17Å; H217-D274 WeakPolarHBondContact CA-OD2 3.5Å; H217-D274 IonicContact CE1-OD1 2.64Å; H217-D274 IonicContact CG-OD1 2.88Å; H217-D274 IonicContact ND1-OD1 2.68Å; H217-D274 PolarHBondContact ND1-OD1 3.42Å; H217-D274 IonicContact ND1-OD2 3.58Å | ||
| 218 | C | 98.5 | Very high | 97.9 | Very high | 0 Ų | 0 | 7.4 Ų | 7.4 | 0% | 0 | 4% | 0.041 | C | C | . | . | H | α-helix | trans | -56.5 | -32.1 | -178.4 | 62.4 | 0 | 0 | 0 | 0 | 113.5 | I88 M221 A222 L245 M246 D274 | I88-C218 HydrophobicContact CG2-CB 4.32Å; C218-M221 PolarHBondContact O-N 3.09Å; C218-A222 VanDerWaalsContact O-CB 3.26Å; C218-A222 WeakPolarHBondContact O-CB 3.47Å; C218-A222 PolarHBondContact O-N 2.98Å; C218-L245 HydrophobicContact CB-CD1 4.22Å; C218-L245 HydrophobicContact CB-CG 3.99Å; C218-L245 WeakPolarHBondContact CB-O 3.49Å; C218-M246 HydrophobicContact CB-CE 4.39Å; C218-M246 HydrophobicContact CB-SD 3.73Å; C218-D274 PolarHBondContact N-OD2 3.42Å |
| 219 | W | 98.7 | Very high | 97.9 | Very high | 12 Ų | 12 | 10.5 Ų | 10.5 | 5% | 0.045 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -71.7 | -35.4 | 177.7 | 50.1 | 81.1 | 0 | 0 | 0 | 113.5 | I68 E70 V73 I88 I89 D90 S108 H217 M221 | I68-W219 HydrophobicContact CG2-CE3 4.04Å; I68-W219 HydrophobicContact CG2-CZ3 4.26Å; E70-W219 HydrophobicContact CB-CD2 3.93Å; E70-W219 HydrophobicContact CB-CG 4.03Å; E70-W219 HydrophobicContact CB-CZ2 4.22Å; E70-W219 HydrophobicContact CG-CD2 4.42Å; E70-W219 HydrophobicContact CG-CZ2 3.89Å; V73-W219 HydrophobicContact CB-CH2 4.17Å; V73-W219 HydrophobicContact CB-CZ3 4.15Å; V73-W219 HydrophobicContact CG1-CH2 4.01Å; V73-W219 HydrophobicContact CG1-CZ3 4.25Å; V73-W219 HydrophobicContact CG2-CH2 4.48Å; V73-W219 HydrophobicContact CG2-CZ3 3.97Å; I88-W219 HydrophobicContact CG2-CB 3.98Å; I89-W219 WeakPolarHBondContact O-CB 3.18Å; D90-W219 HydrophobicContact CB-CB 4.03Å; D90-W219 HydrophobicContact CB-CG 4.39Å; S108-W219 PolarHBondContact OG-O 3.17Å; H217-W219 HydrophobicContact CB-CD2 3.66Å; H217-W219 HydrophobicContact CB-CE3 4.11Å; H217-W219 HydrophobicContact CB-CG 4.24Å; H217-W219 HydrophobicContact CB-CH2 3.83Å; H217-W219 HydrophobicContact CB-CZ2 3.35Å; H217-W219 HydrophobicContact CB-CZ3 4.18Å; H217-W219 AromaticContact CD2-CZ2 3.73Å; H217-W219 AromaticContact CG-CE2 3.74Å; H217-W219 AromaticContact CG-CH2 3.79Å; H217-W219 AromaticContact CG-CZ2 3.32Å; H217-W219 AromaticContact ND1-CH2 3.79Å; H217-W219 AromaticContact ND1-CZ2 3.75Å; H217-W219 PolarHBondContact O-N 3.44Å; H217-W219 VanDerWaalsContact O-N 3.16Å; W219-M221 PolarHBondContact O-N 2.84Å |
| 220 | D | 98.4 | Very high | 97.9 | Very high | 16 Ų | 16 | 11.9 Ų | 11.9 | 9% | 0.086 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -61.5 | -34 | 171.4 | -56.5 | -33.7 | 0 | 0 | 0 | 111.2 | A196 M200 I216 H217 | A196-D220 HydrophobicContact CB-CB 3.97Å; M200-D220 WeakPolarHBondContact CE-O 3.29Å; I216-D220 WeakPolarHBondContact CA-OD2 3.33Å; I216-D220 HydrophobicContact CB-CB 3.93Å; I216-D220 VanDerWaalsContact CB-OD2 3.24Å; I216-D220 WeakPolarHBondContact CB-OD2 3.15Å; I216-D220 HydrophobicContact CD1-CB 4.4Å; I216-D220 HydrophobicContact CG2-CB 4.39Å; H217-D220 PolarHBondContact N-OD2 2.84Å; H217-D220 WeakPolarHBondContact O-CB 3.4Å; H217-D220 PolarHBondContact O-N 2.83Å; H217-D220 VanDerWaalsContact O-N 3.11Å |
| 221 | M | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 12.2 Ų | 12.2 | 0% | 0 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -92.5 | -43.2 | -170.1 | -65 | -171.4 | -87.1 | 0 | 0 | 114.2 | I216 H217 C218 W219 G223 G224 A225 F243 L245 L250 | I216-M221 HydrophobicContact CD1-CG 3.73Å; I216-M221 HydrophobicContact CD1-SD 4.27Å; I216-M221 HydrophobicContact CG1-CG 4.21Å; I216-M221 HydrophobicContact CG1-SD 4.33Å; H217-M221 VanDerWaalsContact C-CE 3.47Å; H217-M221 VanDerWaalsContact O-CE 3.32Å; H217-M221 WeakPolarHBondContact O-CE 3.43Å; H217-M221 WeakPolarHBondContact O-CG 3.36Å; H217-M221 PolarHBondContact O-N 3.09Å; C218-M221 PolarHBondContact O-N 3.09Å; W219-M221 PolarHBondContact O-N 2.84Å; M221-G223 PolarHBondContact O-N 3.17Å; M221-G224 PolarHBondContact O-N 2.91Å; M221-A225 WeakPolarHBondContact O-CB 3.19Å; M221-A225 PolarHBondContact O-N 3.31Å; M221-F243 HydrophobicContact CB-CZ 4.39Å; M221-F243 HydrophobicContact SD-CE2 3.85Å; M221-F243 HydrophobicContact SD-CZ 4.22Å; M221-L245 HydrophobicContact CB-CD1 3.73Å; M221-L245 WeakPolarHBondContact CE-O 3.49Å; M221-L250 HydrophobicContact CB-CD2 4.32Å; M221-L250 HydrophobicContact CG-CD2 3.3Å; M221-L250 HydrophobicContact SD-CB 4.26Å; M221-L250 HydrophobicContact SD-CD2 3.24Å; M221-L250 WeakPolarHBondContact SD-CD2 3.19Å; M221-L250 HydrophobicContact SD-CG 4.37Å |
| 222 | A | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 14.8 Ų | 14.8 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -60.8 | -44.6 | -160.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | I88 C218 A226 L245 | I88-A222 HydrophobicContact CB-CB 3.94Å; I88-A222 HydrophobicContact CD1-CB 4.01Å; I88-A222 HydrophobicContact CG2-CB 4.09Å; C218-A222 VanDerWaalsContact O-CB 3.26Å; C218-A222 WeakPolarHBondContact O-CB 3.47Å; C218-A222 PolarHBondContact O-N 2.98Å; A222-A226 PolarHBondContact O-N 2.91Å; A222-L245 HydrophobicContact CB-CD1 4.12Å; A222-L245 HydrophobicContact CB-CD2 4.34Å |
| 223 | G | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 15.1 Ų | 15.1 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -64.5 | -54.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | M221 A225 A226 V227 | M221-G223 PolarHBondContact O-N 3.17Å; G223-A225 PolarHBondContact O-N 3.22Å; G223-A226 WeakPolarHBondContact O-CB 3.28Å; G223-A226 PolarHBondContact O-N 2.98Å; G223-V227 WeakPolarHBondContact O-CG2 3.48Å; G223-V227 PolarHBondContact O-N 3.28Å |
| 224 | G | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 15.9 Ų | 15.9 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -67.4 | -33 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114 | M221 A226 V227 V228 | M221-G224 PolarHBondContact O-N 2.91Å; G224-A226 VanDerWaalsContact C-N 3.32Å; G224-A226 PolarHBondContact O-N 3.22Å; G224-V227 PolarHBondContact O-N 3.3Å; G224-V227 VanDerWaalsContact O-N 3.11Å; G224-V228 WeakPolarHBondContact O-CG2 3.48Å; G224-V228 PolarHBondContact O-N 3.4Å |
| 225 | A | 98.7 | Very high | 98.1 | Very high | 1 Ų | 1 | 17.2 Ų | 17.2 | 1% | 0.008 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -59.9 | -40.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | I117 M221 G223 V227 T229 I235 F243 | I117-A225 HydrophobicContact CD1-CB 3.86Å; M221-A225 WeakPolarHBondContact O-CB 3.19Å; M221-A225 PolarHBondContact O-N 3.31Å; G223-A225 PolarHBondContact O-N 3.22Å; A225-V227 VanDerWaalsContact C-N 3.33Å; A225-T229 WeakPolarHBondContact O-CB 3.48Å; A225-T229 PolarHBondContact O-N 3.45Å; A225-T229 VanDerWaalsContact O-N 3.11Å; A225-T229 PolarHBondContact O-OG1 3.18Å; A225-I235 HydrophobicContact CB-CD1 3.43Å; A225-I235 VanDerWaalsContact CB-CD1 3.43Å; A225-F243 HydrophobicContact CB-CE1 4.43Å |
| 226 | A | 98.8 | Very high | 98.4 | Very high | 8 Ų | 8 | 16.6 Ų | 16.6 | 7% | 0.066 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -60.2 | -46.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | I117 A133 A222 G223 G224 T229 E230 | I117-A226 HydrophobicContact CG2-CB 3.66Å; A133-A226 HydrophobicContact CB-CB 4.36Å; A133-A226 WeakPolarHBondContact CB-O 3.49Å; A222-A226 PolarHBondContact O-N 2.91Å; G223-A226 WeakPolarHBondContact O-CB 3.28Å; G223-A226 PolarHBondContact O-N 2.98Å; G224-A226 VanDerWaalsContact C-N 3.32Å; G224-A226 PolarHBondContact O-N 3.22Å; A226-T229 PolarHBondContact O-N 3.01Å; A226-E230 PolarHBondContact O-N 3.3Å; A226-E230 VanDerWaalsContact O-N 3.1Å |
| 227 | V | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 16.2 Ų | 16.2 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -64.6 | -46.3 | -177 | -177.5 | 0 | 0 | 0 | 0 | 111.3 | A133 A139 I146 A204 G223 G224 A225 A231 | A133-V227 HydrophobicContact CB-CB 4.36Å; A133-V227 HydrophobicContact CB-CG2 4.09Å; A139-V227 HydrophobicContact CB-CG1 4.2Å; A139-V227 WeakPolarHBondContact CB-O 3.35Å; I146-V227 HydrophobicContact CD1-CG1 3.9Å; A204-V227 HydrophobicContact CB-CG1 3.71Å; G223-V227 WeakPolarHBondContact O-CG2 3.48Å; G223-V227 PolarHBondContact O-N 3.28Å; G224-V227 PolarHBondContact O-N 3.3Å; G224-V227 VanDerWaalsContact O-N 3.11Å; A225-V227 VanDerWaalsContact C-N 3.33Å; V227-A231 VanDerWaalsContact O-CB 3.25Å; V227-A231 WeakPolarHBondContact O-CB 3.25Å; V227-A231 PolarHBondContact O-N 3.29Å |
| 228 | V | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -61.8 | -47 | 177.4 | 170.7 | 0 | 0 | 0 | 0 | 111.3 | M200 A204 G224 E230 A231 G232 G233 V252 | M200-V228 HydrophobicContact CB-CG2 3.89Å; M200-V228 WeakPolarHBondContact O-CG2 3.47Å; A204-V228 HydrophobicContact CB-CG2 4.04Å; G224-V228 WeakPolarHBondContact O-CG2 3.48Å; G224-V228 PolarHBondContact O-N 3.4Å; V228-E230 PolarHBondContact O-N 2.96Å; V228-A231 PolarHBondContact O-N 2.84Å; V228-G232 PolarHBondContact O-N 3.02Å; V228-G233 WeakPolarHBondContact O-CA 3.39Å; V228-G233 PolarHBondContact O-N 3.43Å; V228-V252 HydrophobicContact CB-CG1 4.27Å; V228-V252 HydrophobicContact CG1-CB 3.95Å; V228-V252 HydrophobicContact CG1-CG1 3.99Å; V228-V252 HydrophobicContact CG2-CB 4.23Å; V228-V252 HydrophobicContact CG2-CG1 4.16Å; V228-V252 HydrophobicContact CG2-CG2 4.38Å |
| 229 | T | 98.6 | Very high | 98.5 | Very high | 67 Ų | 67 | 17.2 Ų | 17.2 | 41% | 0.411 | 12% | 0.116 | S | C | . | . | H | α-helix | trans | -61.2 | -47.2 | -176.1 | -57.1 | 0 | 0 | 0 | 0 | 110.8 | A225 A226 A231 G232 | A225-T229 WeakPolarHBondContact O-CB 3.48Å; A225-T229 PolarHBondContact O-N 3.45Å; A225-T229 VanDerWaalsContact O-N 3.11Å; A225-T229 PolarHBondContact O-OG1 3.18Å; A226-T229 PolarHBondContact O-N 3.01Å; T229-A231 VanDerWaalsContact C-N 3.3Å; T229-A231 PolarHBondContact O-N 3.41Å; T229-G232 PolarHBondContact O-N 2.85Å; T229-G232 VanDerWaalsContact O-N 3.12Å |
| 230 | E | 98.8 | Very high | 98.4 | Very high | 45 Ų | 45 | 18.4 Ų | 18.4 | 21% | 0.21 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -74.8 | -17.9 | 179.7 | -70.5 | -64.6 | 131.5 | 0 | 0 | 113.7 | A133 R134 K135 G136 K137 G138 A139 A226 V228 G232 | A133-E230 HydrophobicContact CB-CB 3.78Å; A133-E230 HydrophobicContact CB-CG 3.94Å; R134-E230 VanDerWaalsContact O-CD 3.31Å; R134-E230 VanDerWaalsContact O-OE2 3.09Å; K135-E230 VanDerWaalsContact CA-OE1 3.3Å; K135-E230 WeakPolarHBondContact CA-OE1 3.35Å; G136-E230 WeakPolarHBondContact CA-OE2 3.2Å; G136-E230 PolarHBondContact N-OE1 3.43Å; G136-E230 PolarHBondContact N-OE2 2.9Å; K137-E230 PolarHBondContact N-OE2 3.42Å; G138-E230 WeakPolarHBondContact CA-OE2 3.37Å; G138-E230 PolarHBondContact N-OE2 2.92Å; A139-E230 HydrophobicContact CB-CB 4.01Å; A226-E230 PolarHBondContact O-N 3.3Å; A226-E230 VanDerWaalsContact O-N 3.1Å; V228-E230 PolarHBondContact O-N 2.96Å; E230-G232 PolarHBondContact O-N 3.47Å |
| 231 | A | 98.9 | Very high | 98.3 | Very high | 7 Ų | 7 | 18.8 Ų | 18.8 | 6% | 0.058 | 14% | 0.14 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.2 | 0.4 | 169.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | A139 I146 K147 V148 A204 V227 V228 T229 | A139-A231 HydrophobicContact CB-CB 3.84Å; I146-A231 HydrophobicContact CG1-CB 4.42Å; K147-A231 WeakPolarHBondContact CA-O 3.12Å; V148-A231 HydrophobicContact CG1-CB 4.24Å; V148-A231 PolarHBondContact N-O 3.27Å; V148-A231 VanDerWaalsContact N-O 3.17Å; A204-A231 HydrophobicContact CB-CB 3.85Å; A204-A231 WeakPolarHBondContact O-CB 3.37Å; V227-A231 VanDerWaalsContact O-CB 3.25Å; V227-A231 WeakPolarHBondContact O-CB 3.25Å; V227-A231 PolarHBondContact O-N 3.29Å; V228-A231 PolarHBondContact O-N 2.84Å; T229-A231 VanDerWaalsContact C-N 3.3Å; T229-A231 PolarHBondContact O-N 3.41Å |
| 232 | G | 98.8 | Very high | 98.3 | Very high | 54 Ų | 54 | 24.6 Ų | 24.6 | 56% | 0.557 | 18% | 0.177 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 85.8 | 13.8 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | V228 T229 E230 | V228-G232 PolarHBondContact O-N 3.02Å; T229-G232 PolarHBondContact O-N 2.85Å; T229-G232 VanDerWaalsContact O-N 3.12Å; E230-G232 PolarHBondContact O-N 3.47Å |
| 233 | G | 98.7 | Very high | 98.3 | Very high | 13 Ų | 13 | 26.9 Ų | 26.9 | 13% | 0.134 | 19% | 0.188 | C | C | . | . | trans | -79.1 | 176.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | V228 A253 | V228-G233 WeakPolarHBondContact O-CA 3.39Å; V228-G233 PolarHBondContact O-N 3.43Å; G233-A253 CarbonylContact C-O 3.6Å; G233-A253 WeakPolarHBondContact CA-O 3.31Å | ||
| 234 | V | 98.4 | Very high | 98.2 | Very high | 26 Ų | 26 | 29.6 Ų | 29.6 | 16% | 0.158 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 139.8 | 175.1 | 177.8 | 0 | 0 | 0 | 0 | 108.7 | V252 A253 R256 A259 | V234-V252 CarbonylContact O-C 3.5Å; V234-V252 WeakPolarHBondContact O-CA 3.46Å; V234-A253 PolarHBondContact N-O 3.03Å; V234-A253 PolarHBondContact O-N 3.17Å; V234-R256 HydrophobicContact CG2-CB 4.11Å; V234-A259 HydrophobicContact CG1-CB 4.37Å |
| 235 | I | 98.4 | Very high | 98.2 | Very high | 36 Ų | 36 | 30.2 Ų | 30.2 | 19% | 0.185 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 138.3 | 167 | -168.2 | 166.2 | 0 | 0 | 0 | 109.5 | A225 F243 I251 V252 | A225-I235 HydrophobicContact CB-CD1 3.43Å; A225-I235 VanDerWaalsContact CB-CD1 3.43Å; I235-F243 HydrophobicContact CD1-CD1 3.63Å; I235-F243 HydrophobicContact CD1-CD2 3.78Å; I235-F243 HydrophobicContact CD1-CE1 3.61Å; I235-F243 HydrophobicContact CD1-CE2 3.78Å; I235-F243 HydrophobicContact CD1-CG 3.7Å; I235-F243 HydrophobicContact CD1-CZ 3.68Å; I235-F243 HydrophobicContact CG1-CB 3.95Å; I235-F243 HydrophobicContact CG1-CD1 4.01Å; I235-F243 HydrophobicContact CG1-CD2 3.79Å; I235-F243 HydrophobicContact CG1-CE1 4.46Å; I235-F243 HydrophobicContact CG1-CE2 4.27Å; I235-F243 HydrophobicContact CG1-CG 3.64Å; I235-F243 HydrophobicContact CG2-CB 4.12Å; I235-F243 HydrophobicContact CG2-CD1 4.24Å; I235-F243 HydrophobicContact CG2-CG 4.31Å; I235-I251 CarbonylContact C-O 3.58Å; I235-I251 WeakPolarHBondContact CA-O 3.49Å; I235-V252 HydrophobicContact CB-CG1 4.01Å; I235-V252 HydrophobicContact CD1-CG1 3.94Å; I235-V252 HydrophobicContact CG1-CG1 3.73Å |
| 236 | M | 98.3 | Very high | 98.2 | Very high | 3 Ų | 3 | 30.5 Ų | 30.5 | 2% | 0.015 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.5 | 155.9 | -171.4 | -162.3 | 174.3 | 66.7 | 0 | 0 | 110.1 | G241 L250 I251 A259 E260 A263 | M236-G241 WeakPolarHBondContact CG-O 3.41Å; M236-L250 CarbonylContact O-C 3.52Å; M236-L250 WeakPolarHBondContact O-CA 3.33Å; M236-I251 HydrophobicContact CE-CD1 3.94Å; M236-I251 PolarHBondContact N-O 3.34Å; M236-I251 PolarHBondContact O-N 2.93Å; M236-A259 HydrophobicContact CE-CB 3.9Å; M236-A259 WeakPolarHBondContact CE-O 3.37Å; M236-A259 HydrophobicContact SD-CB 4.46Å; M236-E260 HydrophobicContact SD-CG 4.32Å; M236-A263 HydrophobicContact CE-CB 3.65Å |
| 237 | D | 98.4 | Very high | 98.1 | Very high | 4 Ų | 4 | 30.2 Ų | 30.2 | 2% | 0.021 | 20% | 0.204 | C | C | . | . | trans | -75.8 | 155.2 | 165.7 | -175 | -84.3 | 0 | 0 | 0 | 109.8 | S239 G240 G241 P242 S247 R249 | D237-S239 PolarHBondContact O-N 3.44Å; D237-S239 VanDerWaalsContact OD1-CB 3.27Å; D237-S239 WeakPolarHBondContact OD1-CB 3.5Å; D237-S239 PolarHBondContact OD1-N 3.12Å; D237-S239 PolarHBondContact OD1-OG 3.42Å; D237-G240 PolarHBondContact O-N 3.22Å; D237-G241 PolarHBondContact N-O 3.41Å; D237-P242 WeakPolarHBondContact CB-O 3.34Å; D237-S247 PolarHBondContact OD2-OG 2.99Å; D237-S247 VanDerWaalsContact OD2-OG 3.1Å; D237-R249 IonicContact OD1-CZ 2.83Å; D237-R249 IonicContact OD1-NH2 3.6Å; D237-R249 PolarHBondContact OD1-NH2 2.88Å; D237-R249 IonicContact OD2-CZ 3.53Å; D237-R249 IonicContact OD2-NE 3.85Å; D237-R249 PolarHBondContact OD2-NE 3.04Å; D237-R249 IonicContact OD2-NH2 2.67Å; D237-R249 PolarHBondContact OD2-NH2 2.8Å | ||
| 238 | V | 97.4 | Very high | 98 | Very high | 1 Ų | 1 | 31.6 Ų | 31.6 | 1% | 0.006 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -24.1 | 179.3 | -66.2 | 0 | 0 | 0 | 0 | 113.3 | M214 G240 R249 I251 A263 I266 E268 | M214-V238 HydrophobicContact CG-CB 4.48Å; M214-V238 HydrophobicContact CG-CG1 3.79Å; M214-V238 HydrophobicContact CG-CG2 4.19Å; M214-V238 HydrophobicContact SD-CB 4.41Å; M214-V238 HydrophobicContact SD-CG1 4.26Å; M214-V238 HydrophobicContact SD-CG2 4.03Å; V238-G240 PolarHBondContact O-N 3.02Å; V238-R249 HydrophobicContact CG1-CB 4.11Å; V238-R249 HydrophobicContact CG2-CB 3.76Å; V238-R249 HydrophobicContact CG2-CG 4.12Å; V238-I251 HydrophobicContact CG1-CD1 4.42Å; V238-I251 HydrophobicContact CG1-CG1 4Å; V238-A263 WeakPolarHBondContact O-CB 3.18Å; V238-I266 HydrophobicContact CB-CD1 3.9Å; V238-I266 HydrophobicContact CG1-CD1 3.84Å; V238-E268 HydrophobicContact CG2-CG 3.73Å |
| 239 | S | 96 | Very high | 97.9 | Very high | 69 Ų | 69 | 34.2 Ų | 34.2 | 48% | 0.483 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | -9.1 | 173.2 | 60.1 | 0 | 0 | 0 | 0 | 114.4 | D237 G241 E268 | D237-S239 PolarHBondContact O-N 3.44Å; D237-S239 VanDerWaalsContact OD1-CB 3.27Å; D237-S239 WeakPolarHBondContact OD1-CB 3.5Å; D237-S239 PolarHBondContact OD1-N 3.12Å; D237-S239 PolarHBondContact OD1-OG 3.42Å; S239-G241 VanDerWaalsContact C-N 3.27Å; S239-G241 PolarHBondContact OG-N 3.21Å; S239-E268 WeakPolarHBondContact CA-OE1 3.25Å; S239-E268 WeakPolarHBondContact CB-OE1 3.31Å; S239-E268 PolarHBondContact N-OE1 3.39Å |
| 240 | G | 96.6 | Very high | 97.9 | Very high | 37 Ų | 37 | 31 Ų | 31 | 38% | 0.381 | 20% | 0.2 | S | C | . | . | S | Bend | trans | 86 | -3.7 | -169.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | D237 V238 | D237-G240 PolarHBondContact O-N 3.22Å; V238-G240 PolarHBondContact O-N 3.02Å |
| 241 | G | 97.4 | Very high | 97.9 | Very high | 24 Ų | 24 | 28.9 Ų | 28.9 | 25% | 0.247 | 19% | 0.19 | C | C | . | . | S | Bend | trans | -81.3 | -179.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | M236 D237 S239 | M236-G241 WeakPolarHBondContact CG-O 3.41Å; D237-G241 PolarHBondContact N-O 3.41Å; S239-G241 VanDerWaalsContact C-N 3.27Å; S239-G241 PolarHBondContact OG-N 3.21Å |
| 242 | P | 98 | Very high | 97.9 | Very high | 121 Ų | 121 | 28.6 Ų | 28.6 | 79% | 0.786 | 19% | 0.187 | S | C | * | . | trans | -55.6 | 141.8 | 172.9 | -22.3 | 33.6 | 0 | 0 | 0 | 111.7 | D237 D244 | D237-P242 WeakPolarHBondContact CB-O 3.34Å; P242-D244 PolarHBondContact O-N 3.29Å | ||
| 243 | F | 98.4 | Very high | 97.9 | Very high | 49 Ų | 49 | 26 Ų | 26 | 22% | 0.215 | 16% | 0.16 | C | C | . | . | trans | -60.5 | 135 | 171.9 | 170.8 | -118 | 0 | 0 | 0 | 111.1 | I117 M221 A225 I235 L245 L250 | I117-F243 HydrophobicContact CD1-CE1 4.42Å; M221-F243 HydrophobicContact CB-CZ 4.39Å; M221-F243 HydrophobicContact SD-CE2 3.85Å; M221-F243 HydrophobicContact SD-CZ 4.22Å; A225-F243 HydrophobicContact CB-CE1 4.43Å; I235-F243 HydrophobicContact CD1-CD1 3.63Å; I235-F243 HydrophobicContact CD1-CD2 3.78Å; I235-F243 HydrophobicContact CD1-CE1 3.61Å; I235-F243 HydrophobicContact CD1-CE2 3.78Å; I235-F243 HydrophobicContact CD1-CG 3.7Å; I235-F243 HydrophobicContact CD1-CZ 3.68Å; I235-F243 HydrophobicContact CG1-CB 3.95Å; I235-F243 HydrophobicContact CG1-CD1 4.01Å; I235-F243 HydrophobicContact CG1-CD2 3.79Å; I235-F243 HydrophobicContact CG1-CE1 4.46Å; I235-F243 HydrophobicContact CG1-CE2 4.27Å; I235-F243 HydrophobicContact CG1-CG 3.64Å; I235-F243 HydrophobicContact CG2-CB 4.12Å; I235-F243 HydrophobicContact CG2-CD1 4.24Å; I235-F243 HydrophobicContact CG2-CG 4.31Å; F243-L245 HydrophobicContact CE1-CB 4.03Å; F243-L245 HydrophobicContact CE1-CD1 4.15Å; F243-L245 HydrophobicContact CZ-CB 3.98Å; F243-L245 HydrophobicContact CZ-CD1 3.67Å; F243-L245 HydrophobicContact CZ-CG 4.45Å; F243-L250 HydrophobicContact CD2-CB 4.26Å; F243-L250 HydrophobicContact CE2-CB 4.11Å | ||
| 244 | D | 98 | Very high | 97.9 | Very high | 56 Ų | 56 | 25.7 Ų | 25.7 | 30% | 0.299 | 16% | 0.156 | S | C | . | . | trans | -126 | 114.5 | 172.8 | 172.4 | 2 | 0 | 0 | 0 | 108.6 | P242 M246 S247 R273 | P242-D244 PolarHBondContact O-N 3.29Å; D244-M246 PolarHBondContact O-N 3.44Å; D244-M246 VanDerWaalsContact O-N 3.13Å; D244-M246 PolarHBondContact OD1-N 3.19Å; D244-S247 WeakPolarHBondContact O-CB 3.1Å; D244-S247 PolarHBondContact O-N 2.98Å; D244-S247 VanDerWaalsContact O-N 3.09Å; D244-S247 PolarHBondContact O-OG 2.75Å; D244-S247 VanDerWaalsContact O-OG 3.09Å; D244-R273 IonicContact OD1-NH2 3.48Å; D244-R273 IonicContact OD2-CZ 3.56Å; D244-R273 VanDerWaalsContact OD2-CZ 3.22Å; D244-R273 IonicContact OD2-NH1 2.75Å; D244-R273 PolarHBondContact OD2-NH1 3.26Å; D244-R273 IonicContact OD2-NH2 2.68Å; D244-R273 PolarHBondContact OD2-NH2 2.52Å | ||
| 245 | L | 98.4 | Very high | 97.9 | Very high | 14 Ų | 14 | 25 Ų | 25 | 7% | 0.073 | 15% | 0.152 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61 | -23.4 | -174.8 | -177 | 59.3 | 0 | 0 | 0 | 113.6 | L81 I88 T112 I117 C218 M221 A222 F243 | L81-L245 HydrophobicContact CD2-CD2 4.15Å; I88-L245 HydrophobicContact CD1-CD2 3.61Å; T112-L245 HydrophobicContact CG2-CD2 4.31Å; I117-L245 HydrophobicContact CD1-CD2 4.33Å; I117-L245 HydrophobicContact CG1-CD2 4.32Å; C218-L245 HydrophobicContact CB-CD1 4.22Å; C218-L245 HydrophobicContact CB-CG 3.99Å; C218-L245 WeakPolarHBondContact CB-O 3.49Å; M221-L245 HydrophobicContact CB-CD1 3.73Å; M221-L245 WeakPolarHBondContact CE-O 3.49Å; A222-L245 HydrophobicContact CB-CD1 4.12Å; A222-L245 HydrophobicContact CB-CD2 4.34Å; F243-L245 HydrophobicContact CE1-CB 4.03Å; F243-L245 HydrophobicContact CE1-CD1 4.15Å; F243-L245 HydrophobicContact CZ-CB 3.98Å; F243-L245 HydrophobicContact CZ-CD1 3.67Å; F243-L245 HydrophobicContact CZ-CG 4.45Å |
| 246 | M | 98 | Very high | 97.9 | Very high | 6 Ų | 6 | 29.5 Ų | 29.5 | 3% | 0.03 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.9 | 0 | -178.4 | -50.4 | -54.6 | -74.5 | 0 | 0 | 112.6 | S79 L81 C218 D244 R248 R273 D274 D275 | S79-M246 VanDerWaalsContact O-CE 3.24Å; S79-M246 WeakPolarHBondContact O-CE 3.38Å; L81-M246 HydrophobicContact CB-CE 4.34Å; L81-M246 HydrophobicContact CB-CG 4.4Å; L81-M246 HydrophobicContact CB-SD 3.99Å; L81-M246 HydrophobicContact CD2-SD 4.27Å; C218-M246 HydrophobicContact CB-CE 4.39Å; C218-M246 HydrophobicContact CB-SD 3.73Å; D244-M246 PolarHBondContact O-N 3.44Å; D244-M246 VanDerWaalsContact O-N 3.13Å; D244-M246 PolarHBondContact OD1-N 3.19Å; M246-R248 VanDerWaalsContact C-N 3.27Å; M246-R248 PolarHBondContact O-N 3.06Å; M246-R273 WeakPolarHBondContact O-CA 3.28Å; M246-R273 WeakPolarHBondContact O-CB 3.41Å; M246-D274 HydrophobicContact CB-CB 4.4Å; M246-D274 HydrophobicContact CE-CB 3.51Å; M246-D274 PolarHBondContact O-N 3.34Å; M246-D274 HydrophobicContact SD-CB 4.48Å; M246-D275 HydrophobicContact CB-CB 4.29Å; M246-D275 HydrophobicContact CE-CB 4.23Å; M246-D275 HydrophobicContact CG-CB 4.45Å |
| 247 | S | 96.9 | Very high | 97.9 | Very high | 2 Ų | 2 | 33 Ų | 33 | 1% | 0.014 | 19% | 0.189 | C | C | . | . | S | Bend | trans | -79.1 | -9.3 | -173.7 | 83.5 | 0 | 0 | 0 | 0 | 114.5 | D237 D244 R249 | D237-S247 PolarHBondContact OD2-OG 2.99Å; D237-S247 VanDerWaalsContact OD2-OG 3.1Å; D244-S247 WeakPolarHBondContact O-CB 3.1Å; D244-S247 PolarHBondContact O-N 2.98Å; D244-S247 VanDerWaalsContact O-N 3.09Å; D244-S247 PolarHBondContact O-OG 2.75Å; D244-S247 VanDerWaalsContact O-OG 3.09Å; S247-R249 WeakPolarHBondContact O-CG 3.24Å; S247-R249 PolarHBondContact O-N 3.4Å; S247-R249 PolarHBondContact OG-N 3.33Å; S247-R249 PolarHBondContact OG-O 3.22Å |
| 248 | R | 96.6 | Very high | 97.9 | Very high | 30 Ų | 30 | 32.9 Ų | 32.9 | 11% | 0.113 | 19% | 0.188 | C | C | . | . | S | Bend | trans | 63 | 18.6 | -173.4 | -60.9 | -167 | 56.2 | -178 | 4 | 115.6 | M214 G215 I216 H217 M246 V271 | M214-R248 CarbonylContact C-O 3.59Å; G215-R248 VanDerWaalsContact C-NH2 3.32Å; G215-R248 PolarHBondContact N-O 3.18Å; G215-R248 PolarHBondContact O-NH2 3.1Å; I216-R248 PolarHBondContact N-O 2.78Å; I216-R248 WeakPolarHBondContact O-CA 3.38Å; I216-R248 WeakPolarHBondContact O-CB 3.44Å; I216-R248 WeakPolarHBondContact O-CG 3.5Å; I216-R248 PolarHBondContact O-NE 3.42Å; H217-R248 PolarHBondContact NE2-NH2 2.95Å; H217-R248 VanDerWaalsContact NE2-NH2 3.17Å; M246-R248 VanDerWaalsContact C-N 3.27Å; M246-R248 PolarHBondContact O-N 3.06Å; R248-V271 HydrophobicContact CB-CB 4.31Å; R248-V271 HydrophobicContact CB-CG2 3.87Å; R248-V271 PolarHBondContact NH1-O 3.15Å |
| 249 | R | 97.1 | Very high | 97.9 | Very high | 55 Ų | 55 | 32.9 Ų | 32.9 | 21% | 0.208 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 139.8 | -175.8 | -53.3 | 167.2 | -59.9 | 174.3 | 8 | 109.9 | H213 M214 D237 V238 S247 E268 V271 | H213-R249 WeakPolarHBondContact O-CA 3.4Å; M214-R249 HydrophobicContact CB-CG 4.25Å; M214-R249 HydrophobicContact CG-CB 4.21Å; M214-R249 HydrophobicContact CG-CG 3.94Å; D237-R249 IonicContact OD1-CZ 2.83Å; D237-R249 IonicContact OD1-NH2 3.6Å; D237-R249 PolarHBondContact OD1-NH2 2.88Å; D237-R249 IonicContact OD2-CZ 3.53Å; D237-R249 IonicContact OD2-NE 3.85Å; D237-R249 PolarHBondContact OD2-NE 3.04Å; D237-R249 IonicContact OD2-NH2 2.67Å; D237-R249 PolarHBondContact OD2-NH2 2.8Å; V238-R249 HydrophobicContact CG1-CB 4.11Å; V238-R249 HydrophobicContact CG2-CB 3.76Å; V238-R249 HydrophobicContact CG2-CG 4.12Å; S247-R249 WeakPolarHBondContact O-CG 3.24Å; S247-R249 PolarHBondContact O-N 3.4Å; S247-R249 PolarHBondContact OG-N 3.33Å; S247-R249 PolarHBondContact OG-O 3.22Å; R249-E268 IonicContact CZ-OE2 3.66Å; R249-E268 IonicContact NH1-OE2 2.93Å; R249-E268 PolarHBondContact NH1-OE2 2.86Å; R249-V271 HydrophobicContact CG-CG2 3.68Å |
| 250 | L | 98.1 | Very high | 98 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.8 | 158.9 | 170.8 | 74.4 | 117.1 | 0 | 0 | 0 | 113.4 | M200 Y211 Y212 H213 I216 M221 M236 F243 V252 | M200-L250 HydrophobicContact SD-CD1 4.23Å; Y211-L250 HydrophobicContact CD1-CD1 4.01Å; Y211-L250 HydrophobicContact CE1-CD1 4.23Å; Y212-L250 WeakPolarHBondContact CA-O 3.38Å; H213-L250 PolarHBondContact N-O 2.78Å; H213-L250 PolarHBondContact O-N 2.96Å; I216-L250 HydrophobicContact CD1-CD2 3.18Å; I216-L250 HydrophobicContact CD1-CG 4.27Å; I216-L250 HydrophobicContact CG1-CD2 4.1Å; M221-L250 HydrophobicContact CB-CD2 4.32Å; M221-L250 HydrophobicContact CG-CD2 3.3Å; M221-L250 HydrophobicContact SD-CB 4.26Å; M221-L250 HydrophobicContact SD-CD2 3.24Å; M221-L250 WeakPolarHBondContact SD-CD2 3.19Å; M221-L250 HydrophobicContact SD-CG 4.37Å; M236-L250 CarbonylContact O-C 3.52Å; M236-L250 WeakPolarHBondContact O-CA 3.33Å; F243-L250 HydrophobicContact CD2-CB 4.26Å; F243-L250 HydrophobicContact CE2-CB 4.11Å; L250-V252 HydrophobicContact CD1-CB 4.24Å; L250-V252 HydrophobicContact CD1-CG1 3.64Å; L250-V252 HydrophobicContact CD1-CG2 4.05Å |
| 251 | I | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 125.7 | 157 | -60.9 | 171.8 | 0 | 0 | 0 | 106.3 | Y211 I235 M236 V238 A259 I262 A263 I266 | Y211-I251 CarbonylContact O-C 3.55Å; Y211-I251 WeakPolarHBondContact O-CA 3.38Å; I235-I251 CarbonylContact C-O 3.58Å; I235-I251 WeakPolarHBondContact CA-O 3.49Å; M236-I251 HydrophobicContact CE-CD1 3.94Å; M236-I251 PolarHBondContact N-O 3.34Å; M236-I251 PolarHBondContact O-N 2.93Å; V238-I251 HydrophobicContact CG1-CD1 4.42Å; V238-I251 HydrophobicContact CG1-CG1 4Å; I251-A259 HydrophobicContact CG2-CB 3.93Å; I251-I262 HydrophobicContact CD1-CB 4.26Å; I251-I262 HydrophobicContact CD1-CG2 3.89Å; I251-I262 HydrophobicContact CG1-CG2 4.34Å; I251-A263 HydrophobicContact CD1-CB 3.72Å; I251-I266 HydrophobicContact CD1-CD1 4.18Å |
| 252 | V | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 141.4 | 160.5 | -71.1 | 0 | 0 | 0 | 0 | 109.4 | M200 V203 A210 Y211 V228 V234 I235 L250 | M200-V252 HydrophobicContact CG-CG1 4.48Å; M200-V252 HydrophobicContact CG-CG2 3.93Å; M200-V252 HydrophobicContact SD-CG1 4.49Å; V203-V252 HydrophobicContact CB-CG2 4.49Å; V203-V252 HydrophobicContact CG2-CG2 4.31Å; A210-V252 CarbonylContact C-O 3.57Å; A210-V252 WeakPolarHBondContact CA-O 3.44Å; A210-V252 VanDerWaalsContact CB-O 3.29Å; A210-V252 WeakPolarHBondContact CB-O 3.44Å; Y211-V252 HydrophobicContact CD1-CG2 4Å; Y211-V252 HydrophobicContact CG-CG2 4.32Å; Y211-V252 PolarHBondContact N-O 2.77Å; Y211-V252 PolarHBondContact O-N 3.45Å; V228-V252 HydrophobicContact CB-CG1 4.27Å; V228-V252 HydrophobicContact CG1-CB 3.95Å; V228-V252 HydrophobicContact CG1-CG1 3.99Å; V228-V252 HydrophobicContact CG2-CB 4.23Å; V228-V252 HydrophobicContact CG2-CG1 4.16Å; V228-V252 HydrophobicContact CG2-CG2 4.38Å; V234-V252 CarbonylContact O-C 3.5Å; V234-V252 WeakPolarHBondContact O-CA 3.46Å; I235-V252 HydrophobicContact CB-CG1 4.01Å; I235-V252 HydrophobicContact CD1-CG1 3.94Å; I235-V252 HydrophobicContact CG1-CG1 3.73Å; L250-V252 HydrophobicContact CD1-CB 4.24Å; L250-V252 HydrophobicContact CD1-CG1 3.64Å; L250-V252 HydrophobicContact CD1-CG2 4.05Å |
| 253 | A | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.6 | 160.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | D209 A210 G233 V234 S255 I258 A259 | D209-A253 CarbonylContact O-C 3.52Å; D209-A253 VanDerWaalsContact O-CA 3.31Å; D209-A253 WeakPolarHBondContact O-CA 3.46Å; A210-A253 HydrophobicContact CB-CB 3.8Å; G233-A253 CarbonylContact C-O 3.6Å; G233-A253 WeakPolarHBondContact CA-O 3.31Å; V234-A253 PolarHBondContact N-O 3.03Å; V234-A253 PolarHBondContact O-N 3.17Å; A253-S255 WeakPolarHBondContact CB-O 3.11Å; A253-S255 PolarHBondContact O-N 3.34Å; A253-I258 HydrophobicContact CB-CB 4.21Å; A253-I258 HydrophobicContact CB-CG2 4.14Å; A253-A259 HydrophobicContact CB-CB 3.82Å |
| 254 | S | 98.3 | Very high | 98.1 | Very high | 6 Ų | 6 | 35.1 Ų | 35.1 | 4% | 0.042 | 16% | 0.161 | C | C | . | . | S | Bend | trans | -69.8 | -20.4 | 174.4 | 68.6 | 0 | 0 | 0 | 0 | 113.1 | V148 S149 Q151 D209 | V148-S254 WeakPolarHBondContact CG2-O 3.47Å; S149-S254 WeakPolarHBondContact OG-CB 3.31Å; S149-S254 PolarHBondContact OG-OG 2.86Å; Q151-S254 PolarHBondContact N-OG 3.37Å; Q151-S254 PolarHBondContact O-OG 2.94Å; D209-S254 PolarHBondContact O-N 2.67Å; D209-S254 PolarHBondContact O-OG 3.18Å |
| 255 | S | 98.4 | Very high | 98.1 | Very high | 12 Ų | 12 | 35.2 Ų | 35.2 | 8% | 0.084 | 16% | 0.159 | C | C | . | . | S | Bend | trans | -150.1 | 155 | 172.7 | 75.6 | 0 | 0 | 0 | 0 | 112.6 | Q151 A253 T257 I258 A259 | Q151-S255 WeakPolarHBondContact O-CB 3.45Å; Q151-S255 PolarHBondContact O-OG 3.39Å; A253-S255 WeakPolarHBondContact CB-O 3.11Å; A253-S255 PolarHBondContact O-N 3.34Å; S255-T257 PolarHBondContact O-N 3.38Å; S255-I258 PolarHBondContact O-N 3.21Å; S255-I258 PolarHBondContact OG-N 3.25Å; S255-A259 PolarHBondContact O-N 3.08Å; S255-A259 VanDerWaalsContact O-N 3.12Å |
| 256 | R | 98.3 | Very high | 98 | Very high | 131 Ų | 131 | 35.2 Ų | 35.2 | 49% | 0.494 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -59 | -35.8 | 175.5 | 178.9 | 169 | -74.1 | -78.7 | -2.9 | 112.2 | V234 I258 A259 E260 | V234-R256 HydrophobicContact CG2-CB 4.11Å; R256-I258 VanDerWaalsContact C-N 3.35Å; R256-I258 PolarHBondContact O-N 3.16Å; R256-A259 PolarHBondContact O-N 3.31Å; R256-E260 VanDerWaalsContact CD-OE1 3.24Å; R256-E260 WeakPolarHBondContact CD-OE1 3Å; R256-E260 HydrophobicContact CG-CG 4.06Å; R256-E260 WeakPolarHBondContact CG-OE1 3.49Å; R256-E260 IonicContact NH1-OE1 3.43Å; R256-E260 PolarHBondContact NH1-OE1 3.24Å; R256-E260 WeakPolarHBondContact O-CB 3.17Å; R256-E260 WeakPolarHBondContact O-CG 3.49Å; R256-E260 PolarHBondContact O-N 3.45Å |
| 257 | T | 98.3 | Very high | 97.9 | Very high | 77 Ų | 77 | 39 Ų | 39 | 47% | 0.472 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -59.2 | -44.7 | 177.8 | -55.3 | 0 | 0 | 0 | 0 | 111.8 | K152 S255 R261 | K152-T257 WeakPolarHBondContact O-CG2 3.32Å; S255-T257 PolarHBondContact O-N 3.38Å; T257-R261 VanDerWaalsContact O-CB 3.32Å; T257-R261 WeakPolarHBondContact O-CB 3.46Å; T257-R261 PolarHBondContact O-N 3.32Å; T257-R261 VanDerWaalsContact O-N 3.08Å |
| 258 | I | 98.4 | Very high | 97.7 | Very high | 1 Ų | 1 | 42.7 Ų | 42.7 | 1% | 0.005 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -68.2 | -46.2 | 176.6 | -62.6 | -60.6 | 0 | 0 | 0 | 110.7 | Q151 I154 A210 A253 S255 R256 E260 R261 I262 | Q151-I258 WeakPolarHBondContact O-CG1 3.32Å; I154-I258 VanDerWaalsContact CA-CD1 3.5Å; I154-I258 HydrophobicContact CB-CD1 3.84Å; I154-I258 HydrophobicContact CG1-CD1 4.45Å; A210-I258 HydrophobicContact CB-CG2 3.84Å; A253-I258 HydrophobicContact CB-CB 4.21Å; A253-I258 HydrophobicContact CB-CG2 4.14Å; S255-I258 PolarHBondContact O-N 3.21Å; S255-I258 PolarHBondContact OG-N 3.25Å; R256-I258 VanDerWaalsContact C-N 3.35Å; R256-I258 PolarHBondContact O-N 3.16Å; I258-E260 PolarHBondContact O-N 3.44Å; I258-R261 PolarHBondContact O-N 3.5Å; I258-R261 VanDerWaalsContact O-N 3.16Å; I258-I262 HydrophobicContact CG2-CD1 3.84Å; I258-I262 HydrophobicContact CG2-CG1 4.45Å; I258-I262 WeakPolarHBondContact O-CG1 3.19Å; I258-I262 PolarHBondContact O-N 3.17Å |
| 259 | A | 98.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -57.3 | -49.9 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | V234 M236 I251 A253 S255 R256 R261 I262 A263 | V234-A259 HydrophobicContact CG1-CB 4.37Å; M236-A259 HydrophobicContact CE-CB 3.9Å; M236-A259 WeakPolarHBondContact CE-O 3.37Å; M236-A259 HydrophobicContact SD-CB 4.46Å; I251-A259 HydrophobicContact CG2-CB 3.93Å; A253-A259 HydrophobicContact CB-CB 3.82Å; S255-A259 PolarHBondContact O-N 3.08Å; S255-A259 VanDerWaalsContact O-N 3.12Å; R256-A259 PolarHBondContact O-N 3.31Å; A259-R261 VanDerWaalsContact C-N 3.29Å; A259-R261 PolarHBondContact O-N 3.12Å; A259-I262 PolarHBondContact O-N 3.4Å; A259-A263 PolarHBondContact O-N 3.44Å |
| 260 | E | 98.4 | Very high | 96.8 | Very high | 72 Ų | 72 | 45.1 Ų | 45.1 | 34% | 0.336 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -66.6 | -31.1 | 178.6 | -72 | 175.6 | -174.2 | 0 | 0 | 112.4 | M236 R256 I258 K264 | M236-E260 HydrophobicContact SD-CG 4.32Å; R256-E260 VanDerWaalsContact CD-OE1 3.24Å; R256-E260 WeakPolarHBondContact CD-OE1 3Å; R256-E260 HydrophobicContact CG-CG 4.06Å; R256-E260 WeakPolarHBondContact CG-OE1 3.49Å; R256-E260 IonicContact NH1-OE1 3.43Å; R256-E260 PolarHBondContact NH1-OE1 3.24Å; R256-E260 WeakPolarHBondContact O-CB 3.17Å; R256-E260 WeakPolarHBondContact O-CG 3.49Å; R256-E260 PolarHBondContact O-N 3.45Å; I258-E260 PolarHBondContact O-N 3.44Å; E260-K264 WeakPolarHBondContact O-CD 3.4Å; E260-K264 VanDerWaalsContact O-CG 3.28Å; E260-K264 WeakPolarHBondContact O-CG 3.44Å; E260-K264 PolarHBondContact O-N 3.37Å |
| 261 | R | 98.1 | Very high | 96.3 | Very high | 98 Ų | 98 | 45.6 Ų | 45.6 | 37% | 0.37 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -68.6 | -43.3 | 175.1 | -177.5 | 60.4 | -172.5 | -97.9 | 5.5 | 111.1 | I154 T257 I258 A259 K264 E265 | I154-R261 HydrophobicContact CB-CG 4.19Å; I154-R261 HydrophobicContact CD1-CB 4Å; I154-R261 HydrophobicContact CD1-CG 3.39Å; I154-R261 HydrophobicContact CG1-CG 4.36Å; I154-R261 HydrophobicContact CG2-CG 3.98Å; T257-R261 VanDerWaalsContact O-CB 3.32Å; T257-R261 WeakPolarHBondContact O-CB 3.46Å; T257-R261 PolarHBondContact O-N 3.32Å; T257-R261 VanDerWaalsContact O-N 3.08Å; I258-R261 PolarHBondContact O-N 3.5Å; I258-R261 VanDerWaalsContact O-N 3.16Å; A259-R261 VanDerWaalsContact C-N 3.29Å; A259-R261 PolarHBondContact O-N 3.12Å; R261-K264 PolarHBondContact O-N 3.17Å; R261-E265 IonicContact CZ-OE1 3.22Å; R261-E265 VanDerWaalsContact CZ-OE1 3.22Å; R261-E265 IonicContact NE-OE1 2.78Å; R261-E265 PolarHBondContact NE-OE1 2.87Å; R261-E265 IonicContact NH2-OE1 2.8Å; R261-E265 PolarHBondContact NH2-OE1 3.24Å; R261-E265 WeakPolarHBondContact O-CG 3.37Å |
| 262 | I | 98.3 | Very high | 96 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -62 | -48.5 | 176.4 | -67.1 | 168.1 | 0 | 0 | 0 | 110.4 | I154 I159 I182 A210 Y212 I251 I258 A259 K264 E265 I266 | I154-I262 HydrophobicContact CD1-CG1 4.15Å; I159-I262 HydrophobicContact CD1-CD1 4.01Å; I182-I262 HydrophobicContact CD1-CG1 4.29Å; I182-I262 HydrophobicContact CD1-CG2 4.27Å; A210-I262 HydrophobicContact CB-CD1 3.44Å; A210-I262 VanDerWaalsContact CB-CD1 3.44Å; Y212-I262 HydrophobicContact CD1-CG2 4.06Å; Y212-I262 HydrophobicContact CG-CG2 4.09Å; I251-I262 HydrophobicContact CD1-CB 4.26Å; I251-I262 HydrophobicContact CD1-CG2 3.89Å; I251-I262 HydrophobicContact CG1-CG2 4.34Å; I258-I262 HydrophobicContact CG2-CD1 3.84Å; I258-I262 HydrophobicContact CG2-CG1 4.45Å; I258-I262 WeakPolarHBondContact O-CG1 3.19Å; I258-I262 PolarHBondContact O-N 3.17Å; A259-I262 PolarHBondContact O-N 3.4Å; I262-K264 PolarHBondContact O-N 3.33Å; I262-E265 PolarHBondContact O-N 2.98Å; I262-I266 HydrophobicContact CG2-CD1 4.14Å; I262-I266 HydrophobicContact CG2-CG2 4.09Å; I262-I266 WeakPolarHBondContact O-CG1 3.46Å; I262-I266 PolarHBondContact O-N 2.78Å; I262-I266 VanDerWaalsContact O-N 3.09Å |
| 263 | A | 98.2 | Very high | 95.8 | Very high | 17 Ų | 17 | 52.1 Ų | 52.1 | 14% | 0.14 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -55.8 | -34 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | M236 V238 I251 A259 E265 | M236-A263 HydrophobicContact CE-CB 3.65Å; V238-A263 WeakPolarHBondContact O-CB 3.18Å; I251-A263 HydrophobicContact CD1-CB 3.72Å; A259-A263 PolarHBondContact O-N 3.44Å; A263-E265 VanDerWaalsContact C-N 3.28Å; A263-E265 PolarHBondContact O-N 3.41Å |
| 264 | K | 97.8 | Very high | 95.6 | Very high | 160 Ų | 160 | 53 Ų | 53 | 70% | 0.696 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -72.4 | -20.3 | 178.4 | -74.8 | 170.2 | -174.3 | 172.1 | 0 | 114.1 | E260 R261 I262 | E260-K264 WeakPolarHBondContact O-CD 3.4Å; E260-K264 VanDerWaalsContact O-CG 3.28Å; E260-K264 WeakPolarHBondContact O-CG 3.44Å; E260-K264 PolarHBondContact O-N 3.37Å; R261-K264 PolarHBondContact O-N 3.17Å; I262-K264 PolarHBondContact O-N 3.33Å |
| 265 | E | 96.8 | Very high | 95.3 | Very high | 58 Ų | 58 | 56 Ų | 56 | 27% | 0.271 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -108.7 | -28.4 | -166.5 | -60.5 | -84.5 | -166 | 0 | 0 | 111.5 | T181 I182 I185 R261 I262 A263 | T181-E265 HydrophobicContact CG2-CB 3.96Å; T181-E265 WeakPolarHBondContact CG2-O 3.25Å; I182-E265 HydrophobicContact CD1-CB 4.41Å; I185-E265 HydrophobicContact CD1-CB 3.79Å; I185-E265 VanDerWaalsContact CD1-CD 3.48Å; I185-E265 HydrophobicContact CD1-CG 3.44Å; I185-E265 VanDerWaalsContact CD1-CG 3.44Å; R261-E265 IonicContact CZ-OE1 3.22Å; R261-E265 VanDerWaalsContact CZ-OE1 3.22Å; R261-E265 IonicContact NE-OE1 2.78Å; R261-E265 PolarHBondContact NE-OE1 2.87Å; R261-E265 IonicContact NH2-OE1 2.8Å; R261-E265 PolarHBondContact NH2-OE1 3.24Å; R261-E265 WeakPolarHBondContact O-CG 3.37Å; I262-E265 PolarHBondContact O-N 2.98Å; A263-E265 VanDerWaalsContact C-N 3.28Å; A263-E265 PolarHBondContact O-N 3.41Å |
| 266 | I | 96.5 | Very high | 94.7 | Very high | 14 Ų | 14 | 58.9 Ų | 58.9 | 7% | 0.072 | 31% | 0.306 | C | S | . | . | S | Bend | trans | -83.8 | 144.6 | 176.5 | 67.7 | 178.4 | 0 | 0 | 0 | 111 | N178 I182 Y212 M214 V238 I251 I262 | N178-I266 HydrophobicContact CB-CB 4.36Å; N178-I266 HydrophobicContact CB-CG2 4.16Å; N178-I266 WeakPolarHBondContact OD1-CA 3.3Å; I182-I266 HydrophobicContact CD1-CG2 4.09Å; I182-I266 HydrophobicContact CG1-CG2 4.17Å; Y212-I266 HydrophobicContact CD2-CD1 3.99Å; Y212-I266 HydrophobicContact CD2-CG2 4.36Å; Y212-I266 HydrophobicContact CE2-CG2 4.05Å; Y212-I266 HydrophobicContact CG-CD1 4.49Å; M214-I266 HydrophobicContact CE-CD1 4.48Å; V238-I266 HydrophobicContact CB-CD1 3.9Å; V238-I266 HydrophobicContact CG1-CD1 3.84Å; I251-I266 HydrophobicContact CD1-CD1 4.18Å; I262-I266 HydrophobicContact CG2-CD1 4.14Å; I262-I266 HydrophobicContact CG2-CG2 4.09Å; I262-I266 WeakPolarHBondContact O-CG1 3.46Å; I262-I266 PolarHBondContact O-N 2.78Å; I262-I266 VanDerWaalsContact O-N 3.09Å |
| 267 | T | 95.9 | Very high | 92.7 | Very high | 86 Ų | 86 | 62.5 Ų | 62.5 | 53% | 0.528 | 33% | 0.329 | S | S | . | . | P | Polyproline II helix | trans | -97 | 128.6 | 172.2 | -57.9 | 0 | 0 | 0 | 0 | 109.3 | I174 N178 | I174-T267 HydrophobicContact CG2-CG2 4.22Å; I174-T267 WeakPolarHBondContact CG2-O 3.23Å; N178-T267 PolarHBondContact ND2-O 2.62Å; N178-T267 PolarHBondContact OD1-N 2.96Å |
| 268 | E | 92.4 | Very high | 90.6 | Very high | 79 Ų | 79 | 61.4 Ų | 61.4 | 37% | 0.369 | 33% | 0.332 | S | S | . | . | P | Polyproline II helix | trans | -69.6 | 149.8 | 174.2 | -61.8 | -174.1 | -145.8 | 0 | 0 | 111.6 | M214 V238 S239 R249 | M214-E268 HydrophobicContact SD-CB 4.47Å; V238-E268 HydrophobicContact CG2-CG 3.73Å; S239-E268 WeakPolarHBondContact CA-OE1 3.25Å; S239-E268 WeakPolarHBondContact CB-OE1 3.31Å; S239-E268 PolarHBondContact N-OE1 3.39Å; R249-E268 IonicContact CZ-OE2 3.66Å; R249-E268 IonicContact NH1-OE2 2.93Å; R249-E268 PolarHBondContact NH1-OE2 2.86Å |
| 269 | F | 88.7 | Confident | 87.8 | Confident | 15 Ų | 15 | 71.3 Ų | 71.3 | 7% | 0.066 | 40% | 0.397 | C | S | . | . | trans | -132.1 | 154.9 | 167.7 | 57.9 | -97.5 | 0 | 0 | 0 | 110.9 | H171 I174 M214 V271 | H171-F269 AromaticContact CD2-CZ 3.95Å; H171-F269 AromaticContact CE1-CE2 3.08Å; H171-F269 WeakPolarHBondContact CE1-CE2 3.3Å; H171-F269 AromaticContact CE1-CZ 3.35Å; H171-F269 WeakPolarHBondContact CE1-CZ 3.41Å; H171-F269 AromaticContact CG-CE2 3.83Å; H171-F269 AromaticContact ND1-CD2 3.7Å; H171-F269 AromaticContact ND1-CE2 3.18Å; H171-F269 WeakPolarHBondContact ND1-CE2 3.4Å; H171-F269 AromaticContact ND1-CZ 3.8Å; H171-F269 AromaticContact NE2-CE2 3.65Å; H171-F269 AromaticContact NE2-CZ 3.42Å; H171-F269 WeakPolarHBondContact NE2-CZ 3.25Å; I174-F269 HydrophobicContact CB-CB 4.44Å; I174-F269 HydrophobicContact CB-CD1 4.2Å; I174-F269 HydrophobicContact CD1-CB 3.73Å; I174-F269 HydrophobicContact CG2-CB 4.22Å; I174-F269 HydrophobicContact CG2-CD1 3.77Å; I174-F269 HydrophobicContact CG2-CG 4.46Å; M214-F269 HydrophobicContact CB-CE1 3.91Å; M214-F269 HydrophobicContact CB-CE2 4.04Å; M214-F269 HydrophobicContact CB-CZ 3.55Å; M214-F269 HydrophobicContact CE-CD1 3.86Å; M214-F269 HydrophobicContact CE-CE1 3.54Å; M214-F269 HydrophobicContact CE-CZ 4.4Å; M214-F269 HydrophobicContact SD-CD1 4.11Å; M214-F269 HydrophobicContact SD-CE1 4.04Å; F269-V271 HydrophobicContact CD2-CG1 3.58Å; F269-V271 HydrophobicContact CE2-CG1 3.26Å; F269-V271 HydrophobicContact CZ-CG1 4.25Å; F269-V271 PolarHBondContact O-N 3.29Å | ||
| 270 | P | 86.9 | Confident | 87.3 | Confident | 121 Ų | 121 | 74.9 Ų | 74.9 | 79% | 0.786 | 42% | 0.417 | S | S | * | . | trans | -63.1 | 123.1 | -178.6 | -21.7 | 33.7 | 0 | 0 | 0 | 112.1 | ||||
| 271 | V | 88.6 | Confident | 86.7 | Confident | 10 Ų | 10 | 75 Ų | 75 | 6% | 0.061 | 42% | 0.421 | C | S | . | . | trans | -119.5 | -11.3 | 178.4 | -70.6 | 0 | 0 | 0 | 0 | 114.3 | M214 R248 R249 F269 | M214-V271 HydrophobicContact CB-CG1 4.17Å; R248-V271 HydrophobicContact CB-CB 4.31Å; R248-V271 HydrophobicContact CB-CG2 3.87Å; R248-V271 PolarHBondContact NH1-O 3.15Å; R249-V271 HydrophobicContact CG-CG2 3.68Å; F269-V271 HydrophobicContact CD2-CG1 3.58Å; F269-V271 HydrophobicContact CE2-CG1 3.26Å; F269-V271 HydrophobicContact CZ-CG1 4.25Å; F269-V271 PolarHBondContact O-N 3.29Å | ||
| 272 | G | 90.7 | Very high | 86 | Confident | 51 Ų | 51 | 73.7 Ų | 73.7 | 53% | 0.526 | 42% | 0.424 | S | S | . | . | trans | 71.1 | -173.1 | -168.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 273 | R | 94.8 | Very high | 85.3 | Confident | 87 Ų | 87 | 78.1 Ų | 78.1 | 33% | 0.328 | 45% | 0.449 | S | S | . | . | trans | -127.5 | 160.2 | 177.1 | -62.2 | 177.8 | 58 | 81.1 | 3.1 | 110.3 | D244 M246 D275 T276 | D244-R273 IonicContact OD1-NH2 3.48Å; D244-R273 IonicContact OD2-CZ 3.56Å; D244-R273 VanDerWaalsContact OD2-CZ 3.22Å; D244-R273 IonicContact OD2-NH1 2.75Å; D244-R273 PolarHBondContact OD2-NH1 3.26Å; D244-R273 IonicContact OD2-NH2 2.68Å; D244-R273 PolarHBondContact OD2-NH2 2.52Å; M246-R273 WeakPolarHBondContact O-CA 3.28Å; M246-R273 WeakPolarHBondContact O-CB 3.41Å; R273-D275 VanDerWaalsContact CB-OD1 3.26Å; R273-D275 WeakPolarHBondContact CB-OD1 3.43Å; R273-D275 IonicContact CZ-OD1 3.42Å; R273-D275 IonicContact CZ-OD2 3.95Å; R273-D275 IonicContact NE-OD1 2.68Å; R273-D275 PolarHBondContact NE-OD1 3.38Å; R273-D275 IonicContact NE-OD2 3.22Å; R273-D275 IonicContact NH2-OD1 3.24Å; R273-D275 PolarHBondContact NH2-OD1 3.07Å; R273-D275 IonicContact NH2-OD2 3.45Å; R273-D275 PolarHBondContact NH2-OD2 2.7Å; R273-T276 HydrophobicContact CB-CG2 4.11Å; R273-T276 PolarHBondContact O-OG1 3.49Å | ||
| 274 | D | 95.4 | Very high | 84.5 | Confident | 18 Ų | 18 | 81.9 Ų | 81.9 | 10% | 0.096 | 47% | 0.468 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.7 | -28.4 | 176.2 | -71.3 | -27 | 0 | 0 | 0 | 112.6 | S79 H217 C218 M246 T276 | S79-D274 WeakPolarHBondContact CB-O 3.32Å; H217-D274 WeakPolarHBondContact CA-OD2 3.5Å; H217-D274 IonicContact CE1-OD1 2.64Å; H217-D274 IonicContact CG-OD1 2.88Å; H217-D274 IonicContact ND1-OD1 2.68Å; H217-D274 PolarHBondContact ND1-OD1 3.42Å; H217-D274 IonicContact ND1-OD2 3.58Å; C218-D274 PolarHBondContact N-OD2 3.42Å; M246-D274 HydrophobicContact CB-CB 4.4Å; M246-D274 HydrophobicContact CE-CB 3.51Å; M246-D274 PolarHBondContact O-N 3.34Å; M246-D274 HydrophobicContact SD-CB 4.48Å; D274-T276 VanDerWaalsContact C-N 3.32Å; D274-T276 PolarHBondContact O-N 2.69Å |
| 275 | D | 91.8 | Very high | 83.6 | Confident | 68 Ų | 68 | 76.7 Ų | 76.7 | 36% | 0.364 | 45% | 0.453 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.5 | 14.6 | -176.5 | 58.8 | 5.7 | 0 | 0 | 0 | 113.9 | M246 R273 | M246-D275 HydrophobicContact CB-CB 4.29Å; M246-D275 HydrophobicContact CE-CB 4.23Å; M246-D275 HydrophobicContact CG-CB 4.45Å; R273-D275 VanDerWaalsContact CB-OD1 3.26Å; R273-D275 WeakPolarHBondContact CB-OD1 3.43Å; R273-D275 IonicContact CZ-OD1 3.42Å; R273-D275 IonicContact CZ-OD2 3.95Å; R273-D275 IonicContact NE-OD1 2.68Å; R273-D275 PolarHBondContact NE-OD1 3.38Å; R273-D275 IonicContact NE-OD2 3.22Å; R273-D275 IonicContact NH2-OD1 3.24Å; R273-D275 PolarHBondContact NH2-OD1 3.07Å; R273-D275 IonicContact NH2-OD2 3.45Å; R273-D275 PolarHBondContact NH2-OD2 2.7Å |
| 276 | T | 86.6 | Confident | 82.7 | Confident | 73 Ų | 73 | 78 Ų | 78 | 45% | 0.448 | 47% | 0.466 | S | S | . | . | S | Bend | trans | -113.8 | 137.1 | 175.2 | 51.9 | 0 | 0 | 0 | 0 | 110.9 | R273 D274 G278 | R273-T276 HydrophobicContact CB-CG2 4.11Å; R273-T276 PolarHBondContact O-OG1 3.49Å; D274-T276 VanDerWaalsContact C-N 3.32Å; D274-T276 PolarHBondContact O-N 2.69Å; T276-G278 PolarHBondContact O-N 2.91Å |
| 277 | E | 55.3 | Low | 81.6 | Confident | 208 Ų | 208 | 82.9 Ų | 82.9 | 97% | 0.972 | 50% | 0.496 | S | S | * | . | S | Bend | trans | -67.6 | 101.9 | 176.6 | -74.1 | -171 | 169.2 | 0 | 0 | 111.4 | ||
| 278 | G | 54.8 | Low | 80.5 | Confident | 53 Ų | 53 | 82.7 Ų | 82.7 | 55% | 0.546 | 49% | 0.493 | S | S | . | . | trans | 65.3 | 166.8 | 169.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | T276 | T276-G278 PolarHBondContact O-N 2.91Š| ||
| 279 | P | 39.5 | Very low | 79.4 | Confident | 209 Ų | 209 | 83 Ų | 83 | 100% | 1.357 | 50% | 0.504 | S | S | * | . | trans | -61.5 | 0 | -176.8 | 27.1 | -34.7 | 0 | 0 | 0 | 113.8 |
Retrieved 279 of 279 residues in 55 ms
(Link to these results)