| 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 | 37.2 | Very low | 77.6 | Confident | 242 Ų | 242 | 79 Ų | 79 | 100% | 1.192 | 45% | 0.453 | S | S | * | . | 0 | 91.2 | 0 | -69.5 | -177.6 | -108 | 0 | 0 | 106.7 | G3 | M1-G3 PolarHBondContact O-N 2.85Š| |||
| 2 | S | 42.9 | Very low | 79.3 | Confident | 120 Ų | 120 | 82.1 Ų | 82.1 | 84% | 0.839 | 46% | 0.461 | S | S | * | . | P | Polyproline II helix | trans | -57.7 | 123 | 167 | 46 | 0 | 0 | 0 | 0 | 106.7 | Q4 | S2-Q4 PolarHBondContact O-N 3.48Å; S2-Q4 VanDerWaalsContact O-N 3.07Å |
| 3 | G | 46.8 | Very low | 80.7 | Confident | 75 Ų | 75 | 79.8 Ų | 79.8 | 77% | 0.773 | 44% | 0.444 | S | S | * | . | P | Polyproline II helix | trans | -52.5 | 118.9 | -178.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | M1 S5 | M1-G3 PolarHBondContact O-N 2.85Å; G3-S5 PolarHBondContact O-N 3.06Å |
| 4 | Q | 60.3 | Low | 82 | Confident | 99 Ų | 99 | 74.1 Ų | 74.1 | 46% | 0.463 | 41% | 0.412 | S | S | . | . | P | Polyproline II helix | trans | -54.5 | 125.9 | 173.6 | -172.4 | 172.2 | 20.5 | 0 | 0 | 107.6 | S2 D8 E12 | S2-Q4 PolarHBondContact O-N 3.48Å; S2-Q4 VanDerWaalsContact O-N 3.07Å; Q4-D8 HydrophobicContact CG-CB 3.76Å; Q4-E12 PolarHBondContact NE2-OE1 2.96Å; Q4-E12 PolarHBondContact NE2-OE2 3.41Å |
| 5 | S | 85.7 | Confident | 83 | Confident | 52 Ų | 52 | 73.5 Ų | 73.5 | 36% | 0.364 | 40% | 0.401 | S | S | . | . | P | Polyproline II helix | trans | -63 | 149.7 | 179.7 | 82.5 | 0 | 0 | 0 | 0 | 108.9 | G3 L7 D8 R9 | G3-S5 PolarHBondContact O-N 3.06Å; S5-L7 PolarHBondContact O-N 2.89Å; S5-D8 WeakPolarHBondContact CB-OD2 3.33Å; S5-D8 PolarHBondContact N-OD2 3.18Å; S5-D8 PolarHBondContact O-N 3.1Å; S5-D8 VanDerWaalsContact OG-CG 3.24Å; S5-D8 PolarHBondContact OG-N 3.09Å; S5-D8 PolarHBondContact OG-OD2 2.8Å; S5-R9 PolarHBondContact O-N 3.32Å; S5-R9 VanDerWaalsContact O-N 3.15Å |
| 6 | D | 92.9 | Very high | 83.9 | Confident | 112 Ų | 112 | 72.5 Ų | 72.5 | 60% | 0.599 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -52.6 | -32.9 | 178.2 | -74.6 | -42.8 | 0 | 0 | 0 | 112.1 | R9 Q10 | D6-R9 IonicContact OD1-NH2 3.99Å; D6-Q10 WeakPolarHBondContact O-CB 3.49Å; D6-Q10 WeakPolarHBondContact O-CG 3.38Å; D6-Q10 PolarHBondContact O-N 3.19Å |
| 7 | L | 96.6 | Very high | 84.7 | Confident | 16 Ų | 16 | 69.6 Ų | 69.6 | 8% | 0.084 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -69.2 | -41.6 | 177.4 | -175.4 | 60.7 | 0 | 0 | 0 | 112.5 | S5 R9 Q10 I11 L28 A99 V102 R103 | S5-L7 PolarHBondContact O-N 2.89Å; L7-R9 VanDerWaalsContact C-N 3.31Å; L7-R9 PolarHBondContact O-N 3.27Å; L7-Q10 WeakPolarHBondContact O-CB 3.46Å; L7-Q10 PolarHBondContact O-N 2.75Å; L7-I11 HydrophobicContact CG-CD1 4.2Å; L7-I11 WeakPolarHBondContact O-CG1 3.39Å; L7-I11 PolarHBondContact O-N 2.83Å; L7-L28 HydrophobicContact CD1-CD1 4.06Å; L7-A99 HydrophobicContact CD1-CB 4.21Å; L7-V102 HydrophobicContact CD2-CB 4.28Å; L7-V102 HydrophobicContact CD2-CG1 3.73Å; L7-R103 HydrophobicContact CD2-CB 3.73Å; L7-R103 HydrophobicContact CD2-CG 4.4Å; L7-R103 HydrophobicContact CG-CB 4.27Å |
| 8 | D | 97.3 | Very high | 85.4 | Confident | 40 Ų | 40 | 72.9 Ų | 72.9 | 21% | 0.214 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -65.2 | -38.9 | 178 | -57.7 | -52.7 | 0 | 0 | 0 | 110.5 | Q4 S5 I11 E12 R103 | Q4-D8 HydrophobicContact CG-CB 3.76Å; S5-D8 WeakPolarHBondContact CB-OD2 3.33Å; S5-D8 PolarHBondContact N-OD2 3.18Å; S5-D8 PolarHBondContact O-N 3.1Å; S5-D8 VanDerWaalsContact OG-CG 3.24Å; S5-D8 PolarHBondContact OG-N 3.09Å; S5-D8 PolarHBondContact OG-OD2 2.8Å; D8-I11 PolarHBondContact O-N 3.26Å; D8-E12 PolarHBondContact O-N 3.36Å; D8-R103 WeakPolarHBondContact OD1-CD 3.46Å; D8-R103 IonicContact OD1-CZ 3.37Å; D8-R103 IonicContact OD1-NE 3.41Å; D8-R103 PolarHBondContact OD1-NE 2.79Å |
| 9 | R | 97.8 | Very high | 86 | Confident | 85 Ų | 85 | 71.9 Ų | 71.9 | 32% | 0.321 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -62.5 | -44.3 | 172.2 | -178.8 | -173 | 57.7 | 74.7 | -0.3 | 111.6 | S5 D6 L7 I11 E12 Q13 E24 | S5-R9 PolarHBondContact O-N 3.32Å; S5-R9 VanDerWaalsContact O-N 3.15Å; D6-R9 IonicContact OD1-NH2 3.99Å; L7-R9 VanDerWaalsContact C-N 3.31Å; L7-R9 PolarHBondContact O-N 3.27Å; R9-I11 VanDerWaalsContact C-N 3.33Å; R9-I11 PolarHBondContact O-N 3Å; R9-E12 PolarHBondContact O-N 3.44Å; R9-Q13 VanDerWaalsContact NH1-OE1 3.08Å; R9-Q13 WeakPolarHBondContact O-CB 3.43Å; R9-Q13 PolarHBondContact O-N 3.44Å; R9-E24 IonicContact CZ-OE1 3.29Å; R9-E24 VanDerWaalsContact CZ-OE1 3.29Å; R9-E24 IonicContact NH1-OE1 3.06Å; R9-E24 PolarHBondContact NH1-OE1 2.86Å; R9-E24 IonicContact NH2-OE1 2.64Å; R9-E24 PolarHBondContact NH2-OE1 3.49Å |
| 10 | Q | 98 | Very high | 86.6 | Confident | 15 Ų | 15 | 68.5 Ų | 68.5 | 7% | 0.07 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -61 | -42.1 | 177.4 | -74.5 | 165.2 | 5.9 | 0 | 0 | 111.4 | D6 L7 Q13 L14 I20 E24 | D6-Q10 WeakPolarHBondContact O-CB 3.49Å; D6-Q10 WeakPolarHBondContact O-CG 3.38Å; D6-Q10 PolarHBondContact O-N 3.19Å; L7-Q10 WeakPolarHBondContact O-CB 3.46Å; L7-Q10 PolarHBondContact O-N 2.75Å; Q10-Q13 PolarHBondContact O-N 2.98Å; Q10-L14 WeakPolarHBondContact O-CB 3.5Å; Q10-L14 VanDerWaalsContact O-CG 3.26Å; Q10-L14 WeakPolarHBondContact O-CG 3.34Å; Q10-L14 PolarHBondContact O-N 3.19Å; Q10-I20 HydrophobicContact CB-CG2 4.03Å; Q10-I20 HydrophobicContact CG-CG2 3.91Å; Q10-E24 PolarHBondContact NE2-OE1 2.86Å |
| 11 | I | 98.3 | Very high | 87.2 | Confident | 13 Ų | 13 | 68.9 Ų | 68.9 | 7% | 0.067 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -61.3 | -47.6 | 175.6 | -70.5 | 165.9 | 0 | 0 | 0 | 110.6 | L7 D8 R9 Q13 L14 R15 L96 A99 L100 R103 | L7-I11 HydrophobicContact CG-CD1 4.2Å; L7-I11 WeakPolarHBondContact O-CG1 3.39Å; L7-I11 PolarHBondContact O-N 2.83Å; D8-I11 PolarHBondContact O-N 3.26Å; R9-I11 VanDerWaalsContact C-N 3.33Å; R9-I11 PolarHBondContact O-N 3Å; I11-Q13 VanDerWaalsContact C-N 3.31Å; I11-Q13 PolarHBondContact O-N 3.5Å; I11-L14 PolarHBondContact O-N 3.18Å; I11-R15 HydrophobicContact CG2-CG 4.37Å; I11-R15 WeakPolarHBondContact O-CB 3Å; I11-R15 WeakPolarHBondContact O-CG 3.31Å; I11-R15 PolarHBondContact O-N 2.84Å; I11-L96 HydrophobicContact CG2-CD1 4.39Å; I11-A99 HydrophobicContact CD1-CB 4.45Å; I11-A99 HydrophobicContact CG1-CB 3.67Å; I11-L100 HydrophobicContact CD1-CD2 4.35Å; I11-L100 HydrophobicContact CG2-CD2 4.07Å; I11-R103 HydrophobicContact CD1-CB 3.59Å; I11-R103 HydrophobicContact CD1-CG 3.76Å |
| 12 | E | 97.8 | Very high | 90.1 | Very high | 116 Ų | 116 | 60.3 Ų | 60.3 | 54% | 0.542 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -61.3 | -40.6 | 177.4 | -75.5 | 178.7 | -173.3 | 0 | 0 | 112.4 | Q4 D8 R9 R15 A16 | Q4-E12 PolarHBondContact NE2-OE1 2.96Å; Q4-E12 PolarHBondContact NE2-OE2 3.41Å; D8-E12 PolarHBondContact O-N 3.36Å; R9-E12 PolarHBondContact O-N 3.44Å; E12-R15 PolarHBondContact O-N 3.47Å; E12-A16 PolarHBondContact O-N 3.07Å; E12-A16 VanDerWaalsContact O-N 3.12Å |
| 13 | Q | 98.1 | Very high | 92.7 | Very high | 53 Ų | 53 | 60.5 Ų | 60.5 | 25% | 0.248 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -63.4 | -46.1 | 176.2 | -176.8 | 168.4 | -23.7 | 0 | 0 | 111.6 | R9 Q10 I11 A16 K18 L19 I20 | R9-Q13 VanDerWaalsContact NH1-OE1 3.08Å; R9-Q13 WeakPolarHBondContact O-CB 3.43Å; R9-Q13 PolarHBondContact O-N 3.44Å; Q10-Q13 PolarHBondContact O-N 2.98Å; I11-Q13 VanDerWaalsContact C-N 3.31Å; I11-Q13 PolarHBondContact O-N 3.5Å; Q13-A16 WeakPolarHBondContact O-CB 3.29Å; Q13-A16 PolarHBondContact O-N 3.43Å; Q13-K18 HydrophobicContact CG-CB 3.77Å; Q13-K18 WeakPolarHBondContact O-CB 3.44Å; Q13-K18 PolarHBondContact O-N 2.95Å; Q13-L19 PolarHBondContact NE2-O 3.48Å; Q13-I20 HydrophobicContact CB-CG2 4.47Å; Q13-I20 HydrophobicContact CG-CG2 4.27Å |
| 14 | L | 98.3 | Very high | 95.1 | Very high | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -66 | -41.2 | 177.2 | -72.2 | 165 | 0 | 0 | 0 | 111.8 | Q10 I11 A16 C17 I20 F59 L95 L96 A99 | Q10-L14 WeakPolarHBondContact O-CB 3.5Å; Q10-L14 VanDerWaalsContact O-CG 3.26Å; Q10-L14 WeakPolarHBondContact O-CG 3.34Å; Q10-L14 PolarHBondContact O-N 3.19Å; I11-L14 PolarHBondContact O-N 3.18Å; L14-A16 PolarHBondContact O-N 3.11Å; L14-C17 WeakPolarHBondContact O-CA 3.46Å; L14-C17 PolarHBondContact O-N 2.91Å; L14-I20 HydrophobicContact CD1-CD1 4.35Å; L14-I20 HydrophobicContact CD1-CG2 4.4Å; L14-I20 HydrophobicContact CD2-CG1 4.46Å; L14-I20 HydrophobicContact CD2-CG2 4.38Å; L14-I20 HydrophobicContact CG-CG2 4.07Å; L14-F59 VanDerWaalsContact O-CE2 3.31Å; L14-F59 WeakPolarHBondContact O-CE2 3.14Å; L14-F59 WeakPolarHBondContact O-CZ 3.44Å; L14-L95 HydrophobicContact CD1-CB 3.99Å; L14-L95 HydrophobicContact CD2-CB 3.77Å; L14-L95 HydrophobicContact CD2-CD1 4.34Å; L14-L96 HydrophobicContact CB-CB 4.21Å; L14-L96 HydrophobicContact CB-CD1 4.15Å; L14-A99 HydrophobicContact CD1-CB 4.02Å |
| 15 | R | 97.4 | Very high | 97 | Very high | 65 Ų | 65 | 53.4 Ų | 53.4 | 25% | 0.245 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -59.5 | -28.5 | 173.2 | -78 | -172.1 | -179.2 | -99.2 | -3.8 | 113 | I11 E12 C17 D71 L96 | I11-R15 HydrophobicContact CG2-CG 4.37Å; I11-R15 WeakPolarHBondContact O-CB 3Å; I11-R15 WeakPolarHBondContact O-CG 3.31Å; I11-R15 PolarHBondContact O-N 2.84Å; E12-R15 PolarHBondContact O-N 3.47Å; R15-C17 PolarHBondContact O-N 3.35Å; R15-D71 IonicContact CZ-OD1 3.28Å; R15-D71 VanDerWaalsContact CZ-OD1 3.27Å; R15-D71 IonicContact CZ-OD2 3.15Å; R15-D71 IonicContact NH1-OD1 3.46Å; R15-D71 PolarHBondContact NH1-OD1 2.74Å; R15-D71 IonicContact NH1-OD2 3.47Å; R15-D71 PolarHBondContact NH1-OD2 3.37Å; R15-D71 IonicContact NH2-OD1 3.85Å; R15-D71 PolarHBondContact NH2-OD1 3.43Å; R15-D71 IonicContact NH2-OD2 3.51Å; R15-D71 PolarHBondContact NH2-OD2 2.82Å; R15-L96 HydrophobicContact CG-CD1 3.72Å; R15-L96 HydrophobicContact CG-CD2 4.26Å |
| 16 | A | 97.1 | Very high | 97.6 | Very high | 57 Ų | 57 | 57 Ų | 57 | 47% | 0.471 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.1 | 10.7 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | E12 Q13 L14 K18 | E12-A16 PolarHBondContact O-N 3.07Å; E12-A16 VanDerWaalsContact O-N 3.12Å; Q13-A16 WeakPolarHBondContact O-CB 3.29Å; Q13-A16 PolarHBondContact O-N 3.43Å; L14-A16 PolarHBondContact O-N 3.11Å; A16-K18 VanDerWaalsContact C-N 3.28Å; A16-K18 HydrophobicContact CB-CD 4.29Å; A16-K18 HydrophobicContact CB-CG 4.31Å; A16-K18 PolarHBondContact O-N 3.23Å |
| 17 | C | 97.2 | Very high | 97.8 | Very high | 23 Ų | 23 | 54.1 Ų | 54.1 | 16% | 0.155 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 55.6 | 41.3 | -173.5 | -158.2 | 0 | 0 | 0 | 0 | 112.1 | L14 R15 F59 | L14-C17 WeakPolarHBondContact O-CA 3.46Å; L14-C17 PolarHBondContact O-N 2.91Å; R15-C17 PolarHBondContact O-N 3.35Å; C17-F59 HydrophobicContact CB-CD1 3.81Å; C17-F59 HydrophobicContact CB-CE1 3.44Å; C17-F59 VanDerWaalsContact CB-CE1 3.44Å; C17-F59 HydrophobicContact CB-CZ 3.95Å |
| 18 | K | 97.5 | Very high | 97.9 | Very high | 130 Ų | 130 | 53.4 Ų | 53.4 | 57% | 0.565 | 27% | 0.272 | S | S | * | . | trans | -117.1 | 136.1 | 177.6 | -63.4 | 176.9 | -176.4 | 174.4 | 0 | 110.4 | Q13 A16 | Q13-K18 HydrophobicContact CG-CB 3.77Å; Q13-K18 WeakPolarHBondContact O-CB 3.44Å; Q13-K18 PolarHBondContact O-N 2.95Å; A16-K18 VanDerWaalsContact C-N 3.28Å; A16-K18 HydrophobicContact CB-CD 4.29Å; A16-K18 HydrophobicContact CB-CG 4.31Å; A16-K18 PolarHBondContact O-N 3.23Å | ||
| 19 | L | 97.6 | Very high | 98 | Very high | 54 Ų | 54 | 51.9 Ų | 51.9 | 28% | 0.283 | 26% | 0.264 | S | S | . | . | P | Polyproline II helix | trans | -68.6 | 134.8 | 179.4 | -58 | 175.7 | 0 | 0 | 0 | 111.2 | Q13 V91 E92 K133 Y134 | Q13-L19 PolarHBondContact NE2-O 3.48Å; L19-V91 HydrophobicContact CD2-CG1 4.11Å; L19-E92 HydrophobicContact CD2-CG 3.99Å; L19-K133 HydrophobicContact CD1-CB 3.72Å; L19-K133 HydrophobicContact CD1-CD 4.15Å; L19-K133 HydrophobicContact CD1-CG 4.13Å; L19-K133 HydrophobicContact CD2-CD 4.03Å; L19-Y134 HydrophobicContact CD1-CE2 4.2Å; L19-Y134 HydrophobicContact CD2-CE2 4.05Å |
| 20 | I | 98.2 | Very high | 98 | Very high | 2 Ų | 2 | 49.4 Ų | 49.4 | 1% | 0.01 | 26% | 0.262 | C | S | . | . | P | Polyproline II helix | trans | -81.1 | 157.5 | 161.5 | 60.4 | 170.8 | 0 | 0 | 0 | 109.2 | Q10 Q13 L14 E24 V25 L28 L95 Y134 | Q10-I20 HydrophobicContact CB-CG2 4.03Å; Q10-I20 HydrophobicContact CG-CG2 3.91Å; Q13-I20 HydrophobicContact CB-CG2 4.47Å; Q13-I20 HydrophobicContact CG-CG2 4.27Å; L14-I20 HydrophobicContact CD1-CD1 4.35Å; L14-I20 HydrophobicContact CD1-CG2 4.4Å; L14-I20 HydrophobicContact CD2-CG1 4.46Å; L14-I20 HydrophobicContact CD2-CG2 4.38Å; L14-I20 HydrophobicContact CG-CG2 4.07Å; I20-E24 HydrophobicContact CB-CB 4Å; I20-E24 HydrophobicContact CD1-CB 4.02Å; I20-E24 HydrophobicContact CG1-CB 4.28Å; I20-V25 HydrophobicContact CD1-CG2 3.92Å; I20-V25 HydrophobicContact CG1-CG2 3.75Å; I20-L28 HydrophobicContact CD1-CD2 4.25Å; I20-L95 HydrophobicContact CD1-CD1 4.4Å; I20-L95 HydrophobicContact CG1-CD1 4.13Å; I20-Y134 WeakPolarHBondContact O-CE1 3.11Å; I20-Y134 PolarHBondContact O-OH 2.8Å |
| 21 | T | 97.9 | Very high | 98 | Very high | 77 Ų | 77 | 53.3 Ų | 53.3 | 47% | 0.472 | 28% | 0.279 | S | S | . | . | P | Polyproline II helix | trans | -65.9 | 159.4 | -178.8 | 62.4 | 0 | 0 | 0 | 0 | 112.6 | D23 E24 V25 | T21-D23 PolarHBondContact O-N 3.02Å; T21-E24 WeakPolarHBondContact CB-OE2 3.35Å; T21-E24 WeakPolarHBondContact CG2-OE2 3.27Å; T21-E24 PolarHBondContact N-OE2 3.18Å; T21-E24 WeakPolarHBondContact O-CB 3.47Å; T21-E24 PolarHBondContact O-N 3.29Å; T21-E24 VanDerWaalsContact OG1-CD 3.3Å; T21-E24 WeakPolarHBondContact OG1-CG 3.27Å; T21-E24 PolarHBondContact OG1-N 2.9Å; T21-E24 PolarHBondContact OG1-OE2 2.56Å; T21-V25 WeakPolarHBondContact O-CG2 3.3Å; T21-V25 PolarHBondContact O-N 3.43Å |
| 22 | E | 98 | Very high | 98 | Very high | 63 Ų | 63 | 52.7 Ų | 52.7 | 29% | 0.294 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -57.2 | -37.6 | 178.6 | -172.9 | 177.6 | 123 | 0 | 0 | 112.3 | V25 K26 Y134 S136 M138 V139 | E22-V25 PolarHBondContact O-N 2.94Å; E22-K26 PolarHBondContact O-N 3.48Å; E22-Y134 HydrophobicContact CB-CD1 4.33Å; E22-S136 PolarHBondContact OE2-OG 3.49Å; E22-M138 HydrophobicContact CG-CB 4.25Å; E22-M138 HydrophobicContact CG-CG 4.18Å; E22-M138 WeakPolarHBondContact OE1-CB 3.33Å; E22-M138 VanDerWaalsContact OE1-CG 3.27Å; E22-M138 WeakPolarHBondContact OE1-CG 3.24Å; E22-V139 HydrophobicContact CG-CG2 4.15Å |
| 23 | D | 97.7 | Very high | 98 | Very high | 123 Ų | 123 | 51.3 Ų | 51.3 | 66% | 0.658 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -67.2 | -36.9 | 176.5 | -74.7 | -33.8 | 0 | 0 | 0 | 112.3 | T21 K26 A27 | T21-D23 PolarHBondContact O-N 3.02Å; D23-K26 WeakPolarHBondContact O-CB 3.48Å; D23-K26 PolarHBondContact O-N 2.86Å; D23-A27 WeakPolarHBondContact O-CB 3.35Å; D23-A27 PolarHBondContact O-N 2.91Å |
| 24 | E | 98.2 | Very high | 98 | Very high | 25 Ų | 25 | 55.1 Ų | 55.1 | 12% | 0.117 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -68.4 | -40 | 174.7 | -70.4 | 171.2 | 119.7 | 0 | 0 | 111.5 | R9 Q10 I20 T21 K26 A27 L28 | R9-E24 IonicContact CZ-OE1 3.29Å; R9-E24 VanDerWaalsContact CZ-OE1 3.29Å; R9-E24 IonicContact NH1-OE1 3.06Å; R9-E24 PolarHBondContact NH1-OE1 2.86Å; R9-E24 IonicContact NH2-OE1 2.64Å; R9-E24 PolarHBondContact NH2-OE1 3.49Å; Q10-E24 PolarHBondContact NE2-OE1 2.86Å; I20-E24 HydrophobicContact CB-CB 4Å; I20-E24 HydrophobicContact CD1-CB 4.02Å; I20-E24 HydrophobicContact CG1-CB 4.28Å; T21-E24 WeakPolarHBondContact CB-OE2 3.35Å; T21-E24 WeakPolarHBondContact CG2-OE2 3.27Å; T21-E24 PolarHBondContact N-OE2 3.18Å; T21-E24 WeakPolarHBondContact O-CB 3.47Å; T21-E24 PolarHBondContact O-N 3.29Å; T21-E24 VanDerWaalsContact OG1-CD 3.3Å; T21-E24 WeakPolarHBondContact OG1-CG 3.27Å; T21-E24 PolarHBondContact OG1-N 2.9Å; T21-E24 PolarHBondContact OG1-OE2 2.56Å; E24-K26 VanDerWaalsContact C-N 3.32Å; E24-K26 PolarHBondContact O-N 3.42Å; E24-A27 PolarHBondContact O-N 3.06Å; E24-L28 VanDerWaalsContact O-CB 3.31Å; E24-L28 WeakPolarHBondContact O-CB 3.2Å; E24-L28 PolarHBondContact O-N 2.92Å |
| 25 | V | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -59.6 | -45.9 | 172.8 | 179.1 | 0 | 0 | 0 | 0 | 110.3 | I20 T21 E22 A27 L28 C29 L95 Y134 V139 Q142 | I20-V25 HydrophobicContact CD1-CG2 3.92Å; I20-V25 HydrophobicContact CG1-CG2 3.75Å; T21-V25 WeakPolarHBondContact O-CG2 3.3Å; T21-V25 PolarHBondContact O-N 3.43Å; E22-V25 PolarHBondContact O-N 2.94Å; V25-A27 VanDerWaalsContact C-N 3.35Å; V25-A27 PolarHBondContact O-N 2.73Å; V25-L28 PolarHBondContact O-N 3.01Å; V25-C29 WeakPolarHBondContact O-CB 3.25Å; V25-C29 PolarHBondContact O-N 3.47Å; V25-C29 PolarHBondContact O-SG 2.81Å; V25-L95 HydrophobicContact CG1-CD2 3.82Å; V25-L95 HydrophobicContact CG2-CD1 3.74Å; V25-L95 HydrophobicContact CG2-CD2 4.2Å; V25-Y134 HydrophobicContact CG2-CE1 4.32Å; V25-V139 HydrophobicContact CB-CG2 4.32Å; V25-V139 HydrophobicContact CG1-CG1 4.21Å; V25-V139 HydrophobicContact CG1-CG2 4.3Å; V25-V139 HydrophobicContact CG2-CG2 4.19Å; V25-Q142 HydrophobicContact CG1-CB 4.44Å; V25-Q142 VanDerWaalsContact CG1-OE1 3.26Å |
| 26 | K | 98.1 | Very high | 98.1 | Very high | 129 Ų | 129 | 54 Ų | 54 | 56% | 0.561 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -57.6 | -47.4 | 177.6 | -170.3 | 178.9 | 176.3 | -178.8 | 0 | 111.9 | E22 D23 E24 C29 A30 Q142 | E22-K26 PolarHBondContact O-N 3.48Å; D23-K26 WeakPolarHBondContact O-CB 3.48Å; D23-K26 PolarHBondContact O-N 2.86Å; E24-K26 VanDerWaalsContact C-N 3.32Å; E24-K26 PolarHBondContact O-N 3.42Å; K26-C29 PolarHBondContact O-N 2.99Å; K26-A30 PolarHBondContact O-N 2.91Å; K26-Q142 VanDerWaalsContact CB-NE2 3.33Å |
| 27 | A | 98.1 | Very high | 98.1 | Very high | 50 Ų | 50 | 54.4 Ų | 54.4 | 41% | 0.413 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -66.3 | -39.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112 | D23 E24 V25 A30 K31 | D23-A27 WeakPolarHBondContact O-CB 3.35Å; D23-A27 PolarHBondContact O-N 2.91Å; E24-A27 PolarHBondContact O-N 3.06Å; V25-A27 VanDerWaalsContact C-N 3.35Å; V25-A27 PolarHBondContact O-N 2.73Å; A27-A30 PolarHBondContact O-N 2.69Å; A27-K31 WeakPolarHBondContact O-CG 3.16Å; A27-K31 PolarHBondContact O-N 2.94Å |
| 28 | L | 98.6 | Very high | 98.1 | Very high | 1 Ų | 1 | 61.1 Ų | 61.1 | 1% | 0.005 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -62.8 | -47.9 | 175.5 | 175.7 | 62.4 | 0 | 0 | 0 | 111.3 | L7 I20 E24 V25 A30 K31 A32 L95 L98 A99 V102 | L7-L28 HydrophobicContact CD1-CD1 4.06Å; I20-L28 HydrophobicContact CD1-CD2 4.25Å; E24-L28 VanDerWaalsContact O-CB 3.31Å; E24-L28 WeakPolarHBondContact O-CB 3.2Å; E24-L28 PolarHBondContact O-N 2.92Å; V25-L28 PolarHBondContact O-N 3.01Å; L28-A30 VanDerWaalsContact C-N 3.34Å; L28-A30 PolarHBondContact O-N 3.17Å; L28-K31 PolarHBondContact O-N 3.49Å; L28-A32 WeakPolarHBondContact O-CB 3.42Å; L28-A32 PolarHBondContact O-N 2.89Å; L28-L95 HydrophobicContact CD2-CD2 4.24Å; L28-L98 HydrophobicContact CD2-CB 4.35Å; L28-L98 HydrophobicContact CD2-CD2 4.25Å; L28-L98 HydrophobicContact CD2-CG 4.42Å; L28-L98 HydrophobicContact CG-CD2 4.08Å; L28-L98 HydrophobicContact CG-CG 4.26Å; L28-A99 HydrophobicContact CD1-CB 4.13Å; L28-A99 HydrophobicContact CD2-CB 4.06Å; L28-V102 HydrophobicContact CD1-CB 4.03Å; L28-V102 HydrophobicContact CD1-CG1 4.5Å; L28-V102 HydrophobicContact CD1-CG2 3.72Å |
| 29 | C | 98.7 | Very high | 98.1 | Very high | 8 Ų | 8 | 55.8 Ų | 55.8 | 5% | 0.054 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -59.9 | -44.1 | 177.2 | -67.8 | 0 | 0 | 0 | 0 | 111.2 | V25 K26 K31 A32 R33 I146 | V25-C29 WeakPolarHBondContact O-CB 3.25Å; V25-C29 PolarHBondContact O-N 3.47Å; V25-C29 PolarHBondContact O-SG 2.81Å; K26-C29 PolarHBondContact O-N 2.99Å; C29-K31 VanDerWaalsContact C-N 3.34Å; C29-K31 PolarHBondContact O-N 2.86Å; C29-A32 PolarHBondContact O-N 3.17Å; C29-R33 PolarHBondContact O-N 3.42Å; C29-I146 HydrophobicContact CB-CD1 3.84Å; C29-I146 HydrophobicContact CB-CG1 3.65Å; C29-I146 WeakPolarHBondContact O-CD1 3.48Å |
| 30 | A | 98.2 | Very high | 98.1 | Very high | 33 Ų | 33 | 55.1 Ų | 55.1 | 27% | 0.273 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -57.2 | -46.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | K26 A27 L28 R33 E34 | K26-A30 PolarHBondContact O-N 2.91Å; A27-A30 PolarHBondContact O-N 2.69Å; L28-A30 VanDerWaalsContact C-N 3.34Å; L28-A30 PolarHBondContact O-N 3.17Å; A30-R33 PolarHBondContact O-N 3.47Å; A30-E34 PolarHBondContact O-N 3.14Å |
| 31 | K | 98.3 | Very high | 98.1 | Very high | 97 Ų | 97 | 55.4 Ų | 55.4 | 42% | 0.422 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -65.9 | -40.5 | 176.2 | -68.8 | 177.7 | 179.9 | -180 | 0 | 112.5 | A27 L28 C29 R33 E34 I35 V102 | A27-K31 WeakPolarHBondContact O-CG 3.16Å; A27-K31 PolarHBondContact O-N 2.94Å; L28-K31 PolarHBondContact O-N 3.49Å; C29-K31 VanDerWaalsContact C-N 3.34Å; C29-K31 PolarHBondContact O-N 2.86Å; K31-R33 VanDerWaalsContact C-N 3.32Å; K31-R33 PolarHBondContact O-N 3.31Å; K31-E34 PolarHBondContact O-N 3.24Å; K31-I35 PolarHBondContact O-N 3.24Å; K31-V102 HydrophobicContact CB-CG1 3.75Å; K31-V102 HydrophobicContact CB-CG2 4.19Å; K31-V102 HydrophobicContact CD-CG1 4.02Å |
| 32 | A | 98.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -63.1 | -40.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | L28 C29 E34 I35 L36 L98 V102 I146 | L28-A32 WeakPolarHBondContact O-CB 3.42Å; L28-A32 PolarHBondContact O-N 2.89Å; C29-A32 PolarHBondContact O-N 3.17Å; A32-E34 VanDerWaalsContact C-N 3.31Å; A32-E34 PolarHBondContact O-N 3.38Å; A32-I35 PolarHBondContact O-N 2.99Å; A32-I35 VanDerWaalsContact O-N 3.12Å; A32-L36 HydrophobicContact CB-CD1 4.38Å; A32-L36 WeakPolarHBondContact O-CB 3.43Å; A32-L36 VanDerWaalsContact O-CG 3.27Å; A32-L36 WeakPolarHBondContact O-CG 3.48Å; A32-L36 PolarHBondContact O-N 3.42Å; A32-L98 HydrophobicContact CB-CD1 3.44Å; A32-L98 VanDerWaalsContact CB-CD1 3.44Å; A32-L98 HydrophobicContact CB-CD2 4.1Å; A32-L98 HydrophobicContact CB-CG 3.8Å; A32-V102 HydrophobicContact CB-CG2 3.7Å; A32-I146 HydrophobicContact CB-CD1 4.41Å |
| 33 | R | 98.4 | Very high | 98.2 | Very high | 88 Ų | 88 | 50.8 Ų | 50.8 | 33% | 0.332 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -60.5 | -40.2 | 176.6 | -171.7 | 178.6 | 63.2 | -144.8 | -6.2 | 112.2 | C29 A30 K31 I35 I37 E145 I146 Y149 | C29-R33 PolarHBondContact O-N 3.42Å; A30-R33 PolarHBondContact O-N 3.47Å; K31-R33 VanDerWaalsContact C-N 3.32Å; K31-R33 PolarHBondContact O-N 3.31Å; R33-I35 PolarHBondContact O-N 3.45Å; R33-I37 VanDerWaalsContact O-CB 3.3Å; R33-I37 WeakPolarHBondContact O-CB 3.19Å; R33-I37 WeakPolarHBondContact O-CG2 3.35Å; R33-I37 PolarHBondContact O-N 3.25Å; R33-E145 IonicContact CZ-OE1 2.68Å; R33-E145 IonicContact NH1-OE1 3.44Å; R33-E145 PolarHBondContact NH1-OE1 3.26Å; R33-I146 HydrophobicContact CB-CD1 3.87Å; R33-Y149 HydrophobicContact CG-CD1 4.03Å; R33-Y149 HydrophobicContact CG-CD2 4.04Å; R33-Y149 HydrophobicContact CG-CE1 3.79Å; R33-Y149 HydrophobicContact CG-CE2 3.8Å; R33-Y149 HydrophobicContact CG-CG 4.16Å |
| 34 | E | 97.9 | Very high | 98.2 | Very high | 132 Ų | 132 | 48.9 Ų | 48.9 | 62% | 0.617 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -61.2 | -31.7 | 176.2 | -70 | 170.7 | -173.8 | 0 | 0 | 112.6 | A30 K31 A32 I37 | A30-E34 PolarHBondContact O-N 3.14Å; K31-E34 PolarHBondContact O-N 3.24Å; A32-E34 VanDerWaalsContact C-N 3.31Å; A32-E34 PolarHBondContact O-N 3.38Å; E34-I37 WeakPolarHBondContact O-CG2 3.33Å |
| 35 | I | 98.3 | Very high | 98.3 | Very high | 42 Ų | 42 | 48.2 Ų | 48.2 | 22% | 0.215 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -82.5 | -53.3 | 177.5 | -64.5 | 163.4 | 0 | 0 | 0 | 110.4 | K31 A32 R33 I37 E38 V102 P105 | K31-I35 PolarHBondContact O-N 3.24Å; A32-I35 PolarHBondContact O-N 2.99Å; A32-I35 VanDerWaalsContact O-N 3.12Å; R33-I35 PolarHBondContact O-N 3.45Å; I35-I37 PolarHBondContact O-N 3.45Å; I35-E38 PolarHBondContact O-N 3.18Å; I35-E38 VanDerWaalsContact O-N 3.16Å; I35-V102 HydrophobicContact CD1-CB 4.33Å; I35-V102 HydrophobicContact CD1-CG1 4.37Å; I35-V102 HydrophobicContact CD1-CG2 4.25Å; I35-P105 HydrophobicContact CD1-CB 4.38Å; I35-P105 HydrophobicContact CG2-CB 4Å |
| 36 | L | 98.4 | Very high | 98.2 | Very high | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -66.9 | -23.1 | -172.4 | -65.6 | 171.6 | 0 | 0 | 0 | 113 | A32 E38 E39 K101 I146 L150 R182 | A32-L36 HydrophobicContact CB-CD1 4.38Å; A32-L36 WeakPolarHBondContact O-CB 3.43Å; A32-L36 VanDerWaalsContact O-CG 3.27Å; A32-L36 WeakPolarHBondContact O-CG 3.48Å; A32-L36 PolarHBondContact O-N 3.42Å; L36-E38 VanDerWaalsContact C-N 3.27Å; L36-E38 PolarHBondContact O-N 3.18Å; L36-E39 WeakPolarHBondContact CD2-OE2 3.45Å; L36-E39 PolarHBondContact O-N 3.17Å; L36-K101 HydrophobicContact CD2-CG 4.47Å; L36-I146 HydrophobicContact CD1-CG2 3.75Å; L36-L150 HydrophobicContact CD1-CD2 4.12Å; L36-L150 HydrophobicContact CD2-CD2 4.4Å; L36-R182 PolarHBondContact O-NH2 3.23Å |
| 37 | I | 97.3 | Very high | 98.2 | Very high | 65 Ų | 65 | 49.1 Ų | 49.1 | 33% | 0.333 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68 | -27.4 | 176.6 | -161.8 | 171 | 0 | 0 | 0 | 113 | R33 E34 I35 Y149 | R33-I37 VanDerWaalsContact O-CB 3.3Å; R33-I37 WeakPolarHBondContact O-CB 3.19Å; R33-I37 WeakPolarHBondContact O-CG2 3.35Å; R33-I37 PolarHBondContact O-N 3.25Å; E34-I37 WeakPolarHBondContact O-CG2 3.33Å; I35-I37 PolarHBondContact O-N 3.45Å; I37-Y149 HydrophobicContact CB-CD1 4.12Å; I37-Y149 HydrophobicContact CB-CE1 4.35Å; I37-Y149 HydrophobicContact CD1-CE1 4.13Å; I37-Y149 HydrophobicContact CG1-CD1 4.26Å; I37-Y149 HydrophobicContact CG1-CE1 4.15Å |
| 38 | E | 97.2 | Very high | 98.3 | Very high | 164 Ų | 164 | 49.5 Ų | 49.5 | 77% | 0.766 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.3 | -13.6 | 179.7 | -60.7 | -59.6 | 135.1 | 0 | 0 | 112.3 | I35 L36 | I35-E38 PolarHBondContact O-N 3.18Å; I35-E38 VanDerWaalsContact O-N 3.16Å; L36-E38 VanDerWaalsContact C-N 3.27Å; L36-E38 PolarHBondContact O-N 3.18Å |
| 39 | E | 98 | Very high | 98.3 | Very high | 19 Ų | 19 | 49.6 Ų | 49.6 | 9% | 0.089 | 26% | 0.261 | C | S | . | . | S | Bend | trans | -75.6 | 148.2 | 178.9 | -65.9 | -171.1 | 169.2 | 0 | 0 | 112.7 | L36 K101 R182 | L36-E39 WeakPolarHBondContact CD2-OE2 3.45Å; L36-E39 PolarHBondContact O-N 3.17Å; E39-K101 WeakPolarHBondContact OE1-CE 3.33Å; E39-K101 IonicContact OE1-NZ 3.27Å; E39-K101 PolarHBondContact OE1-NZ 3.21Å; E39-R182 VanDerWaalsContact O-CZ 3.28Å; E39-R182 PolarHBondContact O-NH1 3.14Å; E39-R182 PolarHBondContact O-NH2 3.39Å |
| 40 | S | 98 | Very high | 98.3 | Very high | 40 Ų | 40 | 49.4 Ų | 49.4 | 28% | 0.28 | 26% | 0.259 | S | S | . | . | trans | -81.4 | 159 | 176.6 | -165.9 | 0 | 0 | 0 | 0 | 111.3 | V42 C151 R178 | S40-V42 PolarHBondContact O-N 3.41Å; S40-C151 WeakPolarHBondContact O-CB 3.41Å; S40-R178 PolarHBondContact OG-NH1 3.41Å | ||
| 41 | N | 98.7 | Very high | 98.3 | Very high | 8 Ų | 8 | 47.9 Ų | 47.9 | 4% | 0.043 | 25% | 0.246 | C | C | . | . | S | Bend | trans | -64.6 | -23.3 | 170.8 | -65.1 | -13.9 | 0 | 0 | 0 | 112.6 | L152 S153 I177 I180 R182 | N41-L152 HydrophobicContact CB-CB 4.47Å; N41-L152 HydrophobicContact CB-CD1 4.41Å; N41-L152 HydrophobicContact CB-CG 4.44Å; N41-L152 PolarHBondContact O-N 3.05Å; N41-S153 PolarHBondContact O-N 3.42Å; N41-S153 VanDerWaalsContact O-O 3.09Å; N41-S153 PolarHBondContact O-OG 3.38Å; N41-I177 HydrophobicContact CB-CG2 4.08Å; N41-I177 VanDerWaalsContact CB-O 3.3Å; N41-I177 WeakPolarHBondContact CB-O 3.46Å; N41-I177 PolarHBondContact ND2-O 2.87Å; N41-I180 PolarHBondContact ND2-O 2.85Å; N41-R182 WeakPolarHBondContact OD1-CD 3.09Å; N41-R182 VanDerWaalsContact OD1-CG 3.28Å; N41-R182 WeakPolarHBondContact OD1-CG 3.18Å; N41-R182 PolarHBondContact OD1-NH1 2.86Å |
| 42 | V | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 86.6 | 170.1 | -171.2 | 0 | 0 | 0 | 0 | 107 | S40 S153 I155 L174 I177 R178 | S40-V42 PolarHBondContact O-N 3.41Å; V42-S153 WeakPolarHBondContact CA-O 3.14Å; V42-S153 WeakPolarHBondContact CA-OG 3.3Å; V42-S153 WeakPolarHBondContact CG2-OG 3.31Å; V42-I155 HydrophobicContact CG1-CB 3.92Å; V42-I155 HydrophobicContact CG1-CG2 3.82Å; V42-L174 HydrophobicContact CG1-CD2 4.49Å; V42-I177 HydrophobicContact CG2-CB 3.59Å; V42-I177 HydrophobicContact CG2-CD1 4.37Å; V42-I177 HydrophobicContact CG2-CG2 3.6Å; V42-R178 HydrophobicContact CB-CG 4.2Å; V42-R178 HydrophobicContact CG2-CG 3.81Å; V42-R178 PolarHBondContact O-NH1 2.84Å |
| 43 | Q | 98.6 | Very high | 98.4 | Very high | 43 Ų | 43 | 43.2 Ų | 43.2 | 20% | 0.201 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 128.1 | -174.9 | -173.7 | 60.8 | 12.5 | 0 | 0 | 110.7 | T109 C151 S153 A154 I155 | Q43-T109 HydrophobicContact CB-CG2 4.22Å; Q43-T109 HydrophobicContact CG-CG2 3.91Å; Q43-C151 HydrophobicContact CB-CB 4.31Å; Q43-S153 PolarHBondContact N-O 2.95Å; Q43-A154 HydrophobicContact CB-CB 4.44Å; Q43-A154 CarbonylContact O-C 3.5Å; Q43-A154 WeakPolarHBondContact O-CA 3.13Å; Q43-A154 WeakPolarHBondContact O-CB 3.24Å; Q43-I155 PolarHBondContact O-N 3.34Å |
| 44 | C | 98.4 | Very high | 98.4 | Very high | 82 Ų | 82 | 39.1 Ų | 39.1 | 55% | 0.554 | 21% | 0.211 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 133.7 | 174 | -62 | 0 | 0 | 0 | 0 | 109.5 | ||
| 45 | V | 98.6 | Very high | 98.4 | Very high | 12 Ų | 12 | 33 Ų | 33 | 7% | 0.073 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 130.9 | 178.2 | 177.9 | 0 | 0 | 0 | 0 | 107.8 | V49 T109 A154 I155 I156 D157 | V45-V49 HydrophobicContact CG1-CB 4.2Å; V45-V49 HydrophobicContact CG1-CG1 4.31Å; V45-V49 HydrophobicContact CG1-CG2 3.9Å; V45-T109 HydrophobicContact CG2-CG2 4.16Å; V45-A154 HydrophobicContact CG2-CB 4.03Å; V45-I155 PolarHBondContact N-O 3.38Å; V45-I156 HydrophobicContact CB-CG1 4.29Å; V45-I156 HydrophobicContact CG1-CG1 4.47Å; V45-I156 CarbonylContact O-C 3.57Å; V45-I156 VanDerWaalsContact O-CA 3.22Å; V45-I156 WeakPolarHBondContact O-CA 3.31Å; V45-D157 PolarHBondContact O-N 2.95Å |
| 46 | D | 98.2 | Very high | 98.4 | Very high | 123 Ų | 123 | 31.1 Ų | 31.1 | 66% | 0.658 | 17% | 0.173 | S | C | * | . | P | Polyproline II helix | trans | -93 | 145.8 | 177.8 | -61.5 | -38.8 | 0 | 0 | 0 | 110.5 | D157 | D46-D157 WeakPolarHBondContact CA-OD1 3.28Š|
| 47 | S | 98.1 | Very high | 98.4 | Very high | 24 Ų | 24 | 31.1 Ų | 31.1 | 17% | 0.168 | 17% | 0.173 | C | C | . | . | S | Bend | trans | -71.1 | 151 | 164.2 | 67.3 | 0 | 0 | 0 | 0 | 111.1 | D157 N276 | S47-D157 VanDerWaalsContact CB-OD2 3.22Å; S47-D157 WeakPolarHBondContact CB-OD2 3.22Å; S47-D157 PolarHBondContact N-OD1 2.92Å; S47-D157 PolarHBondContact OG-OD2 2.88Å; S47-N276 WeakPolarHBondContact CB-O 3.17Å; S47-N276 PolarHBondContact OG-O 3.01Å |
| 48 | P | 98.5 | Very high | 98.4 | Very high | 59 Ų | 59 | 28 Ų | 28 | 38% | 0.383 | 16% | 0.157 | S | C | . | . | S | Bend | cis | -79.4 | 144.8 | 3.2 | 33.4 | -29.4 | 0 | 0 | 0 | 111.5 | N76 L275 D277 | P48-N76 WeakPolarHBondContact O-CB 3.34Å; P48-N76 PolarHBondContact O-ND2 3.35Å; P48-L275 CarbonylContact C-O 3.19Å; P48-L275 WeakPolarHBondContact CA-O 3.4Å; P48-L275 WeakPolarHBondContact CB-O 3.49Å; P48-D277 WeakPolarHBondContact CD-OD1 3.36Å; P48-D277 WeakPolarHBondContact CG-OD1 3.33Å |
| 49 | V | 98.8 | Very high | 98.4 | Very high | 3 Ų | 3 | 20.4 Ų | 20.4 | 2% | 0.018 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.8 | 144 | -179.3 | 63.6 | 0 | 0 | 0 | 0 | 112.1 | V45 V51 N76 L78 I156 L275 | V45-V49 HydrophobicContact CG1-CB 4.2Å; V45-V49 HydrophobicContact CG1-CG1 4.31Å; V45-V49 HydrophobicContact CG1-CG2 3.9Å; V49-V51 HydrophobicContact CG1-CG2 4.47Å; V49-N76 HydrophobicContact CB-CB 4.46Å; V49-N76 HydrophobicContact CG2-CB 4.4Å; V49-L78 HydrophobicContact CG2-CB 3.96Å; V49-I156 HydrophobicContact CG1-CD1 3.87Å; V49-I156 HydrophobicContact CG1-CG1 4.36Å; V49-I156 HydrophobicContact CG1-CG2 3.84Å; V49-L275 HydrophobicContact CG1-CB 4.25Å; V49-L275 HydrophobicContact CG1-CD1 4.17Å; V49-L275 PolarHBondContact N-O 3.07Å; V49-L275 PolarHBondContact O-N 2.9Å |
| 50 | T | 98.9 | Very high | 98.4 | Very high | 4 Ų | 4 | 21.9 Ų | 21.9 | 3% | 0.025 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 117.5 | 170.1 | -60.6 | 0 | 0 | 0 | 0 | 109.6 | T75 N76 Y77 L78 I272 L273 R274 | T50-T75 WeakPolarHBondContact OG1-CG2 3.38Å; T50-N76 PolarHBondContact N-O 2.74Å; T50-Y77 HydrophobicContact CG2-CD1 3.93Å; T50-Y77 HydrophobicContact CG2-CE1 3.5Å; T50-Y77 CarbonylContact O-C 3.5Å; T50-Y77 WeakPolarHBondContact O-CA 3.22Å; T50-L78 PolarHBondContact O-N 2.86Å; T50-I272 HydrophobicContact CG2-CB 3.92Å; T50-I272 HydrophobicContact CG2-CD1 3.78Å; T50-I272 HydrophobicContact CG2-CG1 4.27Å; T50-I272 HydrophobicContact CG2-CG2 4.39Å; T50-L273 CarbonylContact C-O 3.45Å; T50-L273 WeakPolarHBondContact CA-O 3.31Å; T50-R274 HydrophobicContact CG2-CG 4.35Å |
| 51 | V | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 129.7 | 177.3 | -170.3 | 0 | 0 | 0 | 0 | 109.9 | V49 L78 L80 I156 L273 L275 | V49-V51 HydrophobicContact CG1-CG2 4.47Å; V51-L78 CarbonylContact C-O 3.55Å; V51-L78 VanDerWaalsContact CA-O 3.31Å; V51-L78 WeakPolarHBondContact CA-O 3.1Å; V51-L78 HydrophobicContact CG1-CD2 4.33Å; V51-L78 HydrophobicContact CG1-CG 4.45Å; V51-L78 HydrophobicContact CG2-CB 4.45Å; V51-L78 HydrophobicContact CG2-CD2 4.31Å; V51-L80 HydrophobicContact CG1-CD1 3.66Å; V51-L80 HydrophobicContact CG1-CD2 3.92Å; V51-L80 HydrophobicContact CG1-CG 3.72Å; V51-I156 HydrophobicContact CG2-CD1 3.68Å; V51-L273 HydrophobicContact CB-CB 4.24Å; V51-L273 HydrophobicContact CB-CD2 4.42Å; V51-L273 HydrophobicContact CG2-CD2 4.32Å; V51-L273 PolarHBondContact N-O 3.06Å; V51-L273 PolarHBondContact O-N 3.48Å; V51-L275 HydrophobicContact CG2-CD1 4.31Å |
| 52 | C | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 136.8 | -177.4 | -53.7 | 0 | 0 | 0 | 0 | 110.2 | L65 Y77 L78 F79 L80 I272 | C52-L65 HydrophobicContact CB-CD1 4.13Å; C52-Y77 VanDerWaalsContact SG-CD1 3.59Å; C52-L78 PolarHBondContact N-O 2.77Å; C52-F79 HydrophobicContact CB-CD1 3.56Å; C52-F79 HydrophobicContact CB-CE1 3.76Å; C52-F79 HydrophobicContact CB-CG 4.14Å; C52-F79 HydrophobicContact CB-CZ 4.48Å; C52-L80 VanDerWaalsContact O-CB 3.31Å; C52-L80 WeakPolarHBondContact O-CB 3.39Å; C52-L80 VanDerWaalsContact O-CG 3.3Å; C52-L80 WeakPolarHBondContact O-CG 3.39Å; C52-L80 PolarHBondContact O-N 3.35Å; C52-I272 HydrophobicContact CB-CG2 4.32Å |
| 53 | G | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 12% | 0.121 | C | C | . | . | trans | -83.9 | -152.4 | 173 | 0 | 0 | 0 | 0 | 0 | 112.8 | V256 S258 | G53-V256 WeakPolarHBondContact CA-O 3.48Å; G53-S258 PolarHBondContact N-OG 3.28Å | ||
| 54 | D | 98.9 | Very high | 98.2 | Very high | 1 Ų | 1 | 22.1 Ų | 22.1 | 1% | 0.005 | 12% | 0.123 | C | C | . | . | B | Isolated β-bridge | trans | -57.2 | 141.3 | -179.1 | -55.9 | 22.6 | 0 | 0 | 0 | 112 | H56 D82 H164 A237 H238 W257 S258 A259 | D54-H56 IonicContact OD2-NE2 3.72Å; D54-D82 HydrophobicContact CB-CB 3.98Å; D54-H164 IonicContact OD1-CE1 2.99Å; D54-H164 PolarHBondContact OD1-CE1 3.47Å; D54-H164 IonicContact OD1-ND1 3.97Å; D54-H164 IonicContact OD2-CE1 3.09Å; D54-A237 WeakPolarHBondContact OD1-CB 3.43Å; D54-H238 PolarHBondContact OD1-N 2.89Å; D54-H238 WeakPolarHBondContact OD2-CA 3.42Å; D54-H238 PolarHBondContact OD2-N 3.44Å; D54-W257 HydrophobicContact CB-CD2 4.45Å; D54-W257 HydrophobicContact CB-CE3 4.05Å; D54-W257 HydrophobicContact CB-CH2 3.97Å; D54-W257 HydrophobicContact CB-CZ2 4.36Å; D54-W257 HydrophobicContact CB-CZ3 3.83Å; D54-W257 VanDerWaalsContact CG-CZ3 3.49Å; D54-W257 WeakPolarHBondContact OD2-CH2 3.27Å; D54-W257 WeakPolarHBondContact OD2-CZ3 3.37Å; D54-S258 CarbonylContact O-C 3.58Å; D54-S258 WeakPolarHBondContact O-CA 3.18Å; D54-S258 WeakPolarHBondContact O-CB 3.27Å; D54-S258 PolarHBondContact O-N 2.91Å; D54-A259 PolarHBondContact O-N 3.44Å |
| 55 | I | 98.6 | Very high | 98.2 | Very high | 3 Ų | 3 | 18.2 Ų | 18.2 | 2% | 0.015 | 10% | 0.097 | C | C | . | . | trans | -117.9 | -36.3 | -179.8 | -53.6 | -62.4 | 0 | 0 | 0 | 111.8 | G57 Q58 L62 L65 F79 D82 T93 | I55-G57 PolarHBondContact O-N 3.47Å; I55-Q58 WeakPolarHBondContact O-CB 3.37Å; I55-Q58 PolarHBondContact O-N 3.34Å; I55-Q58 VanDerWaalsContact O-N 3.14Å; I55-L62 HydrophobicContact CD1-CD1 4.37Å; I55-L62 HydrophobicContact CG2-CB 4.09Å; I55-L65 HydrophobicContact CD1-CD1 3.77Å; I55-F79 HydrophobicContact CD1-CD1 4.26Å; I55-F79 HydrophobicContact CD1-CE1 4.13Å; I55-F79 HydrophobicContact CG1-CD1 4.17Å; I55-F79 HydrophobicContact CG1-CE1 4.36Å; I55-D82 PolarHBondContact N-O 2.71Å; I55-T93 HydrophobicContact CB-CG2 4.38Å; I55-T93 HydrophobicContact CG2-CG2 3.61Å | ||
| 56 | H | 98.2 | Very high | 98.1 | Very high | 3 Ų | 3 | 17.9 Ų | 17.9 | 1% | 0.014 | 10% | 0.095 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 47 | 51.1 | 173.1 | -79.5 | -53.6 | 0 | 0 | 0 | 115 | D54 Q58 D82 V84 D85 R86 G87 H115 Y262 | D54-H56 IonicContact OD2-NE2 3.72Å; H56-Q58 PolarHBondContact O-N 3.28Å; H56-D82 IonicContact CE1-OD2 3.6Å; H56-D82 PolarHBondContact CE1-OD2 2.81Å; H56-D82 VanDerWaalsContact CE1-OD2 3.28Å; H56-D82 PolarHBondContact N-O 3.42Å; H56-D82 IonicContact NE2-OD2 2.85Å; H56-V84 PolarHBondContact ND1-O 2.53Å; H56-D85 CarbonylContact C-O 3.57Å; H56-D85 WeakPolarHBondContact CA-O 3.16Å; H56-D85 WeakPolarHBondContact CB-O 3.26Å; H56-D85 VanDerWaalsContact O-O 3.06Å; H56-R86 HydrophobicContact CB-CB 4.26Å; H56-R86 HydrophobicContact CB-CG 4.44Å; H56-G87 WeakPolarHBondContact O-CA 3.23Å; H56-G87 PolarHBondContact O-N 2.8Å; H56-H115 AromaticContact CE1-CD2 3.51Å; H56-H115 AromaticContact CE1-CG 3.75Å; H56-H115 AromaticContact CE1-NE2 3.73Å; H56-Y262 HydrophobicContact CB-CD2 4.46Å; H56-Y262 HydrophobicContact CB-CE2 3.79Å; H56-Y262 AromaticContact CD2-CE2 3.16Å; H56-Y262 WeakPolarHBondContact CD2-CE2 3.31Å; H56-Y262 AromaticContact CD2-CZ 3.56Å; H56-Y262 PolarHBondContact CD2-OH 2.82Å; H56-Y262 VanDerWaalsContact CD2-OH 3.31Å; H56-Y262 AromaticContact CG-CE2 3.64Å; H56-Y262 AromaticContact NE2-CE2 3.84Å; H56-Y262 AromaticContact NE2-CZ 3.74Å; H56-Y262 PolarHBondContact NE2-OH 2.97Å |
| 57 | G | 97.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 9% | 0.092 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 62.1 | 13.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | I55 F59 F83 H89 | I55-G57 PolarHBondContact O-N 3.47Å; G57-F59 PolarHBondContact O-N 2.98Å; G57-F83 PolarHBondContact N-O 2.81Å; G57-H89 CarbonylContact O-C 3.59Å; G57-H89 WeakPolarHBondContact O-CA 3.3Å; G57-H89 WeakPolarHBondContact O-CB 3.31Å; G57-H89 PolarHBondContact O-N 3.13Å; G57-H89 VanDerWaalsContact O-N 3.14Å |
| 58 | Q | 97.5 | Very high | 98 | Very high | 1 Ų | 1 | 19.4 Ų | 19.4 | 1% | 0.005 | 10% | 0.096 | C | C | . | . | trans | -81.8 | 69.4 | 173.3 | -70.9 | -178.1 | -161.3 | 0 | 0 | 110.2 | I55 H56 Y60 D61 L62 P260 | I55-Q58 WeakPolarHBondContact O-CB 3.37Å; I55-Q58 PolarHBondContact O-N 3.34Å; I55-Q58 VanDerWaalsContact O-N 3.14Å; H56-Q58 PolarHBondContact O-N 3.28Å; Q58-Y60 VanDerWaalsContact C-N 3.31Å; Q58-Y60 PolarHBondContact O-N 3.26Å; Q58-D61 HydrophobicContact CB-CB 4.1Å; Q58-D61 PolarHBondContact NE2-OD2 3.15Å; Q58-D61 WeakPolarHBondContact O-CB 3.4Å; Q58-D61 PolarHBondContact O-N 3.03Å; Q58-L62 PolarHBondContact O-N 2.91Å; Q58-P260 PolarHBondContact NE2-O 3.26Å | ||
| 59 | F | 97.8 | Very high | 98 | Very high | 3 Ų | 3 | 16.6 Ų | 16.6 | 1% | 0.013 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -53.9 | -43.4 | -172.6 | 175.7 | -87.8 | 0 | 0 | 0 | 113.5 | L14 C17 G57 D61 L62 I63 H89 E92 T93 L96 | L14-F59 VanDerWaalsContact O-CE2 3.31Å; L14-F59 WeakPolarHBondContact O-CE2 3.14Å; L14-F59 WeakPolarHBondContact O-CZ 3.44Å; C17-F59 HydrophobicContact CB-CD1 3.81Å; C17-F59 HydrophobicContact CB-CE1 3.44Å; C17-F59 VanDerWaalsContact CB-CE1 3.44Å; C17-F59 HydrophobicContact CB-CZ 3.95Å; G57-F59 PolarHBondContact O-N 2.98Å; F59-D61 PolarHBondContact O-N 3.4Å; F59-L62 WeakPolarHBondContact O-CB 3.44Å; F59-L62 PolarHBondContact O-N 3.28Å; F59-L62 VanDerWaalsContact O-N 3.16Å; F59-I63 HydrophobicContact CD1-CG1 4.08Å; F59-I63 HydrophobicContact CE1-CD1 4Å; F59-I63 HydrophobicContact CE1-CG1 3.51Å; F59-I63 HydrophobicContact CE2-CD1 4.34Å; F59-I63 HydrophobicContact CZ-CD1 3.73Å; F59-I63 HydrophobicContact CZ-CG1 3.79Å; F59-I63 WeakPolarHBondContact O-CG1 3.47Å; F59-I63 PolarHBondContact O-N 3.47Å; F59-H89 HydrophobicContact CB-CB 3.41Å; F59-H89 VanDerWaalsContact CB-CB 3.41Å; F59-H89 HydrophobicContact CG-CB 4.41Å; F59-E92 HydrophobicContact CD2-CB 3.59Å; F59-E92 HydrophobicContact CE2-CB 3.91Å; F59-E92 HydrophobicContact CG-CB 4.26Å; F59-T93 WeakPolarHBondContact CA-OG1 3.3Å; F59-L96 HydrophobicContact CE2-CD2 3.82Å; F59-L96 HydrophobicContact CZ-CD2 4.35Å |
| 60 | Y | 97.2 | Very high | 97.9 | Very high | 51 Ų | 51 | 17.6 Ų | 17.6 | 20% | 0.2 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -67.7 | -27.7 | -178 | -64.6 | -71.3 | 0 | 0 | 0 | 112.5 | Q58 E64 H89 Q291 D292 | Q58-Y60 VanDerWaalsContact C-N 3.31Å; Q58-Y60 PolarHBondContact O-N 3.26Å; Y60-E64 PolarHBondContact O-N 3.29Å; Y60-E64 VanDerWaalsContact O-N 3.16Å; Y60-H89 AromaticContact CE2-NE2 3.68Å; Y60-Q291 HydrophobicContact CD1-CB 3.74Å; Y60-Q291 VanDerWaalsContact CD1-OE1 3.25Å; Y60-Q291 HydrophobicContact CD2-CB 4.41Å; Y60-Q291 HydrophobicContact CE1-CB 4.19Å; Y60-Q291 HydrophobicContact CG-CB 3.86Å; Y60-D292 HydrophobicContact CD2-CB 4.38Å |
| 61 | D | 97.4 | Very high | 97.9 | Very high | 1 Ų | 1 | 20.5 Ų | 20.5 | 1% | 0.005 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -79.3 | -31.9 | 173.7 | -59.6 | -32.5 | 0 | 0 | 0 | 111.4 | Q58 F59 I63 E64 L65 P260 S289 | Q58-D61 HydrophobicContact CB-CB 4.1Å; Q58-D61 PolarHBondContact NE2-OD2 3.15Å; Q58-D61 WeakPolarHBondContact O-CB 3.4Å; Q58-D61 PolarHBondContact O-N 3.03Å; F59-D61 PolarHBondContact O-N 3.4Å; D61-I63 VanDerWaalsContact C-N 3.29Å; D61-I63 PolarHBondContact O-N 3.32Å; D61-E64 CarbonylContact O-C 3.56Å; D61-E64 PolarHBondContact O-N 3.43Å; D61-E64 VanDerWaalsContact O-N 3.16Å; D61-L65 WeakPolarHBondContact O-CB 3.25Å; D61-L65 PolarHBondContact O-N 3.42Å; D61-P260 HydrophobicContact CB-CG 3.85Å; D61-S289 WeakPolarHBondContact OD1-CB 3.36Å; D61-S289 PolarHBondContact OD1-N 3.14Å |
| 62 | L | 98 | Very high | 97.8 | Very high | 1 Ų | 1 | 21 Ų | 21 | 1% | 0.005 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -60.6 | -39.7 | 167.5 | 176 | 64.2 | 0 | 0 | 0 | 111.5 | I55 Q58 F59 E64 L65 F66 F79 T93 L96 L97 | I55-L62 HydrophobicContact CD1-CD1 4.37Å; I55-L62 HydrophobicContact CG2-CB 4.09Å; Q58-L62 PolarHBondContact O-N 2.91Å; F59-L62 WeakPolarHBondContact O-CB 3.44Å; F59-L62 PolarHBondContact O-N 3.28Å; F59-L62 VanDerWaalsContact O-N 3.16Å; L62-E64 VanDerWaalsContact C-N 3.32Å; L62-L65 HydrophobicContact CD1-CD1 4.47Å; L62-L65 WeakPolarHBondContact O-CB 3.44Å; L62-L65 PolarHBondContact O-N 3.45Å; L62-F66 HydrophobicContact CD1-CD2 4.28Å; L62-F66 HydrophobicContact CD1-CE2 3.7Å; L62-F66 HydrophobicContact CD1-CZ 3.97Å; L62-F66 HydrophobicContact CD2-CE2 4.18Å; L62-F66 HydrophobicContact CG-CD2 4.21Å; L62-F66 HydrophobicContact CG-CE2 3.73Å; L62-F66 HydrophobicContact CG-CZ 4.46Å; L62-F66 VanDerWaalsContact O-CD2 3.29Å; L62-F66 WeakPolarHBondContact O-CD2 3.37Å; L62-F66 PolarHBondContact O-N 3.41Å; L62-F66 VanDerWaalsContact O-N 3.1Å; L62-F79 HydrophobicContact CD1-CE1 3.8Å; L62-F79 HydrophobicContact CD1-CZ 4.07Å; L62-T93 HydrophobicContact CD2-CG2 4.06Å; L62-L96 HydrophobicContact CD2-CD2 4.21Å; L62-L97 HydrophobicContact CD1-CD2 4.22Å; L62-L97 HydrophobicContact CD2-CD1 4.48Å; L62-L97 HydrophobicContact CD2-CD2 4.17Å; L62-L97 HydrophobicContact CD2-CG 4.1Å |
| 63 | I | 97.6 | Very high | 97.7 | Very high | 38 Ų | 38 | 23 Ų | 23 | 20% | 0.195 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -65 | -38 | 174.2 | -62.5 | -54.2 | 0 | 0 | 0 | 111.2 | F59 D61 F66 K67 L96 | F59-I63 HydrophobicContact CD1-CG1 4.08Å; F59-I63 HydrophobicContact CE1-CD1 4Å; F59-I63 HydrophobicContact CE1-CG1 3.51Å; F59-I63 HydrophobicContact CE2-CD1 4.34Å; F59-I63 HydrophobicContact CZ-CD1 3.73Å; F59-I63 HydrophobicContact CZ-CG1 3.79Å; F59-I63 WeakPolarHBondContact O-CG1 3.47Å; F59-I63 PolarHBondContact O-N 3.47Å; D61-I63 VanDerWaalsContact C-N 3.29Å; D61-I63 PolarHBondContact O-N 3.32Å; I63-F66 PolarHBondContact O-N 2.67Å; I63-K67 WeakPolarHBondContact O-CG 3.49Å; I63-K67 PolarHBondContact O-N 3.39Å; I63-L96 HydrophobicContact CD1-CD2 4.03Å |
| 64 | E | 96.7 | Very high | 97.7 | Very high | 55 Ų | 55 | 30.1 Ų | 30.1 | 26% | 0.257 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -66.6 | -40.6 | 174.1 | -164.9 | 59.4 | -155.2 | 0 | 0 | 111.9 | Y60 D61 L62 F66 K67 V68 F286 | Y60-E64 PolarHBondContact O-N 3.29Å; Y60-E64 VanDerWaalsContact O-N 3.16Å; D61-E64 CarbonylContact O-C 3.56Å; D61-E64 PolarHBondContact O-N 3.43Å; D61-E64 VanDerWaalsContact O-N 3.16Å; L62-E64 VanDerWaalsContact C-N 3.32Å; E64-F66 VanDerWaalsContact C-N 3.3Å; E64-F66 PolarHBondContact O-N 3.4Å; E64-K67 WeakPolarHBondContact O-CB 3.48Å; E64-K67 PolarHBondContact O-N 2.79Å; E64-K67 IonicContact OE2-NZ 3.03Å; E64-K67 PolarHBondContact OE2-NZ 2.71Å; E64-V68 HydrophobicContact CG-CG2 4.44Å; E64-V68 WeakPolarHBondContact O-CG2 3.38Å; E64-V68 PolarHBondContact O-N 2.77Å; E64-F286 HydrophobicContact CG-CD2 4.37Å |
| 65 | L | 98.1 | Very high | 97.6 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -53.8 | -45.8 | 173.7 | -178.9 | 162.5 | 0 | 0 | 0 | 111.1 | C52 I55 D61 L62 K67 V68 G69 Y77 F79 I272 F286 | C52-L65 HydrophobicContact CB-CD1 4.13Å; I55-L65 HydrophobicContact CD1-CD1 3.77Å; D61-L65 WeakPolarHBondContact O-CB 3.25Å; D61-L65 PolarHBondContact O-N 3.42Å; L62-L65 HydrophobicContact CD1-CD1 4.47Å; L62-L65 WeakPolarHBondContact O-CB 3.44Å; L62-L65 PolarHBondContact O-N 3.45Å; L65-K67 PolarHBondContact O-N 2.79Å; L65-V68 PolarHBondContact O-N 2.81Å; L65-G69 PolarHBondContact O-N 2.99Å; L65-Y77 HydrophobicContact CD2-CE1 3.68Å; L65-F79 HydrophobicContact CD1-CE1 4.32Å; L65-F79 HydrophobicContact CD2-CE1 4.41Å; L65-F79 HydrophobicContact CD2-CZ 4.28Å; L65-I272 HydrophobicContact CD1-CG2 3.84Å; L65-I272 HydrophobicContact CD2-CG2 4.34Å; L65-I272 HydrophobicContact CG-CG2 3.76Å; L65-F286 HydrophobicContact CB-CE2 4.33Å; L65-F286 HydrophobicContact CB-CZ 3.94Å; L65-F286 HydrophobicContact CD1-CZ 4.24Å; L65-F286 HydrophobicContact CG-CZ 4.25Å |
| 66 | F | 98 | Very high | 97.7 | Very high | 6 Ų | 6 | 32.9 Ų | 32.9 | 3% | 0.026 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -67.1 | -33 | 176 | -71.3 | -52.6 | 0 | 0 | 0 | 113.6 | L62 I63 E64 G70 V72 Y77 F79 L96 L97 L100 | L62-F66 HydrophobicContact CD1-CD2 4.28Å; L62-F66 HydrophobicContact CD1-CE2 3.7Å; L62-F66 HydrophobicContact CD1-CZ 3.97Å; L62-F66 HydrophobicContact CD2-CE2 4.18Å; L62-F66 HydrophobicContact CG-CD2 4.21Å; L62-F66 HydrophobicContact CG-CE2 3.73Å; L62-F66 HydrophobicContact CG-CZ 4.46Å; L62-F66 VanDerWaalsContact O-CD2 3.29Å; L62-F66 WeakPolarHBondContact O-CD2 3.37Å; L62-F66 PolarHBondContact O-N 3.41Å; L62-F66 VanDerWaalsContact O-N 3.1Å; I63-F66 PolarHBondContact O-N 2.67Å; E64-F66 VanDerWaalsContact C-N 3.3Å; E64-F66 PolarHBondContact O-N 3.4Å; F66-G70 CarbonylContact O-C 3.5Å; F66-G70 WeakPolarHBondContact O-CA 3.49Å; F66-G70 PolarHBondContact O-N 2.79Å; F66-V72 HydrophobicContact CE1-CG2 4.33Å; F66-Y77 HydrophobicContact CD1-CE1 4.39Å; F66-Y77 AromaticContact CD1-CE2 3.95Å; F66-Y77 HydrophobicContact CD1-CE2 3.95Å; F66-Y77 AromaticContact CD1-CZ 3.78Å; F66-Y77 HydrophobicContact CE1-CD2 4.31Å; F66-Y77 HydrophobicContact CE1-CE1 4.37Å; F66-Y77 HydrophobicContact CE1-CE2 4Å; F66-F79 HydrophobicContact CE1-CE2 4.47Å; F66-F79 AromaticContact CE1-CZ 3.99Å; F66-F79 HydrophobicContact CE1-CZ 3.99Å; F66-F79 AromaticContact CZ-CZ 3.97Å; F66-F79 HydrophobicContact CZ-CZ 3.97Å; F66-L96 HydrophobicContact CE2-CD2 4.33Å; F66-L97 HydrophobicContact CZ-CD2 4.1Å; F66-L100 HydrophobicContact CE2-CD1 4.14Å; F66-L100 HydrophobicContact CZ-CD1 3.78Å |
| 67 | K | 96.7 | Very high | 97.7 | Very high | 138 Ų | 138 | 32.8 Ų | 32.8 | 60% | 0.6 | 17% | 0.174 | S | C | * | . | H | α-helix | trans | -67.9 | -40.1 | 174.3 | -67.7 | -178.6 | -149.5 | 148.2 | 0 | 111.8 | I63 E64 L65 | I63-K67 WeakPolarHBondContact O-CG 3.49Å; I63-K67 PolarHBondContact O-N 3.39Å; E64-K67 WeakPolarHBondContact O-CB 3.48Å; E64-K67 PolarHBondContact O-N 2.79Å; E64-K67 IonicContact OE2-NZ 3.03Å; E64-K67 PolarHBondContact OE2-NZ 2.71Å; L65-K67 PolarHBondContact O-N 2.79Å |
| 68 | V | 96.8 | Very high | 97.7 | Very high | 40 Ų | 40 | 32.8 Ų | 32.8 | 24% | 0.242 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -70.5 | -57 | 178.8 | 175.9 | 0 | 0 | 0 | 0 | 108.8 | E64 L65 G70 I272 R274 S284 F286 | E64-V68 HydrophobicContact CG-CG2 4.44Å; E64-V68 WeakPolarHBondContact O-CG2 3.38Å; E64-V68 PolarHBondContact O-N 2.77Å; L65-V68 PolarHBondContact O-N 2.81Å; V68-G70 PolarHBondContact O-N 3.09Å; V68-I272 HydrophobicContact CG1-CD1 4.17Å; V68-R274 VanDerWaalsContact C-NH2 3.34Å; V68-R274 PolarHBondContact O-NH1 3.38Å; V68-R274 PolarHBondContact O-NH2 3.46Å; V68-S284 VanDerWaalsContact CG1-CB 3.43Å; V68-F286 HydrophobicContact CG2-CB 4.05Å; V68-F286 HydrophobicContact CG2-CG 4.46Å |
| 69 | G | 97.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -70.7 | -24.2 | -173.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | L65 Y77 I272 R274 | L65-G69 PolarHBondContact O-N 2.99Å; G69-Y77 WeakPolarHBondContact CA-OH 3.23Å; G69-I272 VanDerWaalsContact CA-CD1 3.41Å; G69-R274 PolarHBondContact O-NH1 2.75Å |
| 70 | G | 98 | Very high | 97.9 | Very high | 24 Ų | 24 | 32.6 Ų | 32.6 | 25% | 0.247 | 17% | 0.173 | C | C | . | . | trans | 99.7 | 150.4 | -168 | 0 | 0 | 0 | 0 | 0 | 111.2 | F66 V68 Y77 | F66-G70 CarbonylContact O-C 3.5Å; F66-G70 WeakPolarHBondContact O-CA 3.49Å; F66-G70 PolarHBondContact O-N 2.79Å; V68-G70 PolarHBondContact O-N 3.09Å; G70-Y77 VanDerWaalsContact O-CE2 3.26Å; G70-Y77 WeakPolarHBondContact O-CE2 3.1Å; G70-Y77 VanDerWaalsContact O-CZ 3.31Å; G70-Y77 PolarHBondContact O-OH 2.8Å | ||
| 71 | D | 97.4 | Very high | 97.9 | Very high | 66 Ų | 66 | 30.2 Ų | 30.2 | 35% | 0.353 | 16% | 0.163 | S | C | . | . | trans | -89.8 | 157.9 | -173.3 | -150.1 | 2.2 | 0 | 0 | 0 | 112.7 | R15 D74 T75 | R15-D71 IonicContact CZ-OD1 3.28Å; R15-D71 VanDerWaalsContact CZ-OD1 3.27Å; R15-D71 IonicContact CZ-OD2 3.15Å; R15-D71 IonicContact NH1-OD1 3.46Å; R15-D71 PolarHBondContact NH1-OD1 2.74Å; R15-D71 IonicContact NH1-OD2 3.47Å; R15-D71 PolarHBondContact NH1-OD2 3.37Å; R15-D71 IonicContact NH2-OD1 3.85Å; R15-D71 PolarHBondContact NH2-OD1 3.43Å; R15-D71 IonicContact NH2-OD2 3.51Å; R15-D71 PolarHBondContact NH2-OD2 2.82Å; D71-D74 PolarHBondContact O-N 2.91Å; D71-D74 VanDerWaalsContact O-N 3.08Å; D71-T75 PolarHBondContact O-N 3.39Å | ||
| 72 | V | 97.2 | Very high | 98 | Very high | 9 Ų | 9 | 30.2 Ų | 30.2 | 6% | 0.055 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.2 | 135.5 | 170.6 | -175.9 | 0 | 0 | 0 | 0 | 108.3 | F66 Y77 Y104 R107 | F66-V72 HydrophobicContact CE1-CG2 4.33Å; V72-Y77 HydrophobicContact CG2-CD2 3.62Å; V72-Y77 HydrophobicContact CG2-CE2 3.98Å; V72-Y104 HydrophobicContact CB-CD2 4.45Å; V72-Y104 HydrophobicContact CG1-CD2 3.38Å; V72-Y104 HydrophobicContact CG1-CE2 3.99Å; V72-Y104 HydrophobicContact CG1-CG 3.75Å; V72-R107 HydrophobicContact CG1-CB 4.09Å |
| 73 | P | 97.4 | Very high | 98 | Very high | 44 Ų | 44 | 30.2 Ų | 30.2 | 29% | 0.286 | 16% | 0.163 | S | C | . | . | T | Hydrogen-bonded Turn | cis | -96.3 | 3.1 | 12.5 | 37.7 | -36.3 | 0 | 0 | 0 | 116.2 | T75 Y104 R107 | P73-T75 PolarHBondContact O-N 3.03Å; P73-Y104 HydrophobicContact CB-CD1 3.68Å; P73-Y104 HydrophobicContact CB-CE1 3.7Å; P73-Y104 HydrophobicContact CB-CG 4.21Å; P73-Y104 HydrophobicContact CG-CD1 4.26Å; P73-Y104 HydrophobicContact CG-CE1 3.74Å; P73-R107 HydrophobicContact CB-CG 4.21Å |
| 74 | D | 98.1 | Very high | 98.1 | Very high | 148 Ų | 148 | 28.4 Ų | 28.4 | 79% | 0.791 | 15% | 0.154 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.8 | -25.7 | -176.1 | -63.1 | -33.7 | 0 | 0 | 0 | 112 | D71 | D71-D74 PolarHBondContact O-N 2.91Å; D71-D74 VanDerWaalsContact O-N 3.08Å |
| 75 | T | 98.3 | Very high | 98.2 | Very high | 31 Ų | 31 | 25.8 Ų | 25.8 | 19% | 0.19 | 14% | 0.142 | C | C | . | . | S | Bend | trans | -118.4 | 135.5 | 175.8 | -57.9 | 0 | 0 | 0 | 0 | 111.1 | T50 D71 P73 Y77 | T50-T75 WeakPolarHBondContact OG1-CG2 3.38Å; D71-T75 PolarHBondContact O-N 3.39Å; P73-T75 PolarHBondContact O-N 3.03Å; T75-Y77 HydrophobicContact CG2-CD2 4.15Å; T75-Y77 HydrophobicContact CG2-CE2 3.64Å |
| 76 | N | 98.7 | Very high | 98 | Very high | 32 Ų | 32 | 27.7 Ų | 27.7 | 17% | 0.171 | 15% | 0.149 | C | C | . | . | trans | -84.9 | 143.4 | 172.8 | -55.9 | -40 | 0 | 0 | 0 | 110.6 | P48 V49 T50 R107 | P48-N76 WeakPolarHBondContact O-CB 3.34Å; P48-N76 PolarHBondContact O-ND2 3.35Å; V49-N76 HydrophobicContact CB-CB 4.46Å; V49-N76 HydrophobicContact CG2-CB 4.4Å; T50-N76 PolarHBondContact N-O 2.74Å; N76-R107 CarbonylContact C-O 3.44Å; N76-R107 VanDerWaalsContact CA-O 3.25Å; N76-R107 WeakPolarHBondContact CA-O 3.46Å; N76-R107 WeakPolarHBondContact OD1-CD 3.44Å | ||
| 77 | Y | 98.9 | Very high | 97.8 | Very high | 1 Ų | 1 | 27.5 Ų | 27.5 | 0% | 0.004 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 143.3 | -177.5 | -81.3 | -86.9 | 0 | 0 | 0 | 113.3 | T50 C52 L65 F66 G69 G70 V72 T75 F79 R107 I108 T109 | T50-Y77 HydrophobicContact CG2-CD1 3.93Å; T50-Y77 HydrophobicContact CG2-CE1 3.5Å; T50-Y77 CarbonylContact O-C 3.5Å; T50-Y77 WeakPolarHBondContact O-CA 3.22Å; C52-Y77 VanDerWaalsContact SG-CD1 3.59Å; L65-Y77 HydrophobicContact CD2-CE1 3.68Å; F66-Y77 HydrophobicContact CD1-CE1 4.39Å; F66-Y77 AromaticContact CD1-CE2 3.95Å; F66-Y77 HydrophobicContact CD1-CE2 3.95Å; F66-Y77 AromaticContact CD1-CZ 3.78Å; F66-Y77 HydrophobicContact CE1-CD2 4.31Å; F66-Y77 HydrophobicContact CE1-CE1 4.37Å; F66-Y77 HydrophobicContact CE1-CE2 4Å; G69-Y77 WeakPolarHBondContact CA-OH 3.23Å; G70-Y77 VanDerWaalsContact O-CE2 3.26Å; G70-Y77 WeakPolarHBondContact O-CE2 3.1Å; G70-Y77 VanDerWaalsContact O-CZ 3.31Å; G70-Y77 PolarHBondContact O-OH 2.8Å; V72-Y77 HydrophobicContact CG2-CD2 3.62Å; V72-Y77 HydrophobicContact CG2-CE2 3.98Å; T75-Y77 HydrophobicContact CG2-CD2 4.15Å; T75-Y77 HydrophobicContact CG2-CE2 3.64Å; Y77-F79 AromaticContact CD1-CE2 3.79Å; Y77-F79 HydrophobicContact CD1-CE2 3.79Å; Y77-F79 AromaticContact CD1-CZ 3.95Å; Y77-F79 HydrophobicContact CD1-CZ 3.95Å; Y77-F79 HydrophobicContact CE1-CZ 4.5Å; Y77-F79 AromaticContact CG-CE2 3.87Å; Y77-F79 HydrophobicContact CG-CE2 3.87Å; Y77-F79 HydrophobicContact CG-CZ 4.4Å; Y77-R107 PolarHBondContact N-O 2.81Å; Y77-I108 CarbonylContact O-C 3.49Å; Y77-I108 WeakPolarHBondContact O-CA 3.45Å; Y77-T109 PolarHBondContact O-N 2.87Å |
| 78 | L | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 110.6 | 164.8 | 171.8 | 62.4 | 0 | 0 | 0 | 108.2 | V49 T50 V51 C52 L80 T109 I111 A154 I156 C162 | V49-L78 HydrophobicContact CG2-CB 3.96Å; T50-L78 PolarHBondContact O-N 2.86Å; V51-L78 CarbonylContact C-O 3.55Å; V51-L78 VanDerWaalsContact CA-O 3.31Å; V51-L78 WeakPolarHBondContact CA-O 3.1Å; V51-L78 HydrophobicContact CG1-CD2 4.33Å; V51-L78 HydrophobicContact CG1-CG 4.45Å; V51-L78 HydrophobicContact CG2-CB 4.45Å; V51-L78 HydrophobicContact CG2-CD2 4.31Å; C52-L78 PolarHBondContact N-O 2.77Å; L78-L80 HydrophobicContact CD2-CD2 4.12Å; L78-L80 HydrophobicContact CG-CD2 4.04Å; L78-T109 WeakPolarHBondContact CA-O 3.44Å; L78-T109 HydrophobicContact CD1-CG2 3.58Å; L78-I111 HydrophobicContact CD1-CG2 3.81Å; L78-A154 HydrophobicContact CD1-CB 3.8Å; L78-A154 HydrophobicContact CD2-CB 3.93Å; L78-I156 HydrophobicContact CD2-CD1 3.95Å; L78-I156 HydrophobicContact CD2-CG1 4.14Å; L78-C162 HydrophobicContact CD2-CB 3.68Å; L78-C162 VanDerWaalsContact CD2-SG 3.57Å |
| 79 | F | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 131.2 | 173.6 | -68.4 | -100.5 | 0 | 0 | 0 | 110.5 | C52 I55 L62 L65 F66 Y77 G81 F83 L97 I108 T109 L110 I111 | C52-F79 HydrophobicContact CB-CD1 3.56Å; C52-F79 HydrophobicContact CB-CE1 3.76Å; C52-F79 HydrophobicContact CB-CG 4.14Å; C52-F79 HydrophobicContact CB-CZ 4.48Å; I55-F79 HydrophobicContact CD1-CD1 4.26Å; I55-F79 HydrophobicContact CD1-CE1 4.13Å; I55-F79 HydrophobicContact CG1-CD1 4.17Å; I55-F79 HydrophobicContact CG1-CE1 4.36Å; L62-F79 HydrophobicContact CD1-CE1 3.8Å; L62-F79 HydrophobicContact CD1-CZ 4.07Å; L65-F79 HydrophobicContact CD1-CE1 4.32Å; L65-F79 HydrophobicContact CD2-CE1 4.41Å; L65-F79 HydrophobicContact CD2-CZ 4.28Å; F66-F79 HydrophobicContact CE1-CE2 4.47Å; F66-F79 AromaticContact CE1-CZ 3.99Å; F66-F79 HydrophobicContact CE1-CZ 3.99Å; F66-F79 AromaticContact CZ-CZ 3.97Å; F66-F79 HydrophobicContact CZ-CZ 3.97Å; Y77-F79 AromaticContact CD1-CE2 3.79Å; Y77-F79 HydrophobicContact CD1-CE2 3.79Å; Y77-F79 AromaticContact CD1-CZ 3.95Å; Y77-F79 HydrophobicContact CD1-CZ 3.95Å; Y77-F79 HydrophobicContact CE1-CZ 4.5Å; Y77-F79 AromaticContact CG-CE2 3.87Å; Y77-F79 HydrophobicContact CG-CE2 3.87Å; Y77-F79 HydrophobicContact CG-CZ 4.4Å; F79-G81 VanDerWaalsContact C-N 3.29Å; F79-G81 PolarHBondContact O-N 3.08Å; F79-F83 HydrophobicContact CB-CE1 3.66Å; F79-F83 HydrophobicContact CB-CZ 4.32Å; F79-F83 HydrophobicContact CG-CE1 4.47Å; F79-L97 HydrophobicContact CD1-CD1 4.44Å; F79-L97 HydrophobicContact CD1-CD2 4.32Å; F79-L97 HydrophobicContact CD2-CD2 4.15Å; F79-L97 HydrophobicContact CE1-CD2 3.9Å; F79-L97 HydrophobicContact CE2-CD2 3.7Å; F79-L97 HydrophobicContact CG-CD2 4.44Å; F79-L97 HydrophobicContact CZ-CD2 3.58Å; F79-I108 HydrophobicContact CD2-CD1 3.99Å; F79-I108 HydrophobicContact CD2-CG1 4.02Å; F79-I108 HydrophobicContact CE2-CD1 3.72Å; F79-I108 HydrophobicContact CE2-CG1 4.09Å; F79-T109 PolarHBondContact N-O 3.31Å; F79-L110 HydrophobicContact CB-CD2 3.95Å; F79-L110 HydrophobicContact CD2-CD2 3.86Å; F79-L110 HydrophobicContact CG-CD2 4.14Å; F79-I111 PolarHBondContact O-N 3.11Å |
| 80 | L | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 12% | 0.12 | C | C | . | . | trans | -88.4 | 21.9 | -172.2 | -60.2 | -177.9 | 0 | 0 | 0 | 114 | V51 C52 L78 I111 C162 H164 A237 | V51-L80 HydrophobicContact CG1-CD1 3.66Å; V51-L80 HydrophobicContact CG1-CD2 3.92Å; V51-L80 HydrophobicContact CG1-CG 3.72Å; C52-L80 VanDerWaalsContact O-CB 3.31Å; C52-L80 WeakPolarHBondContact O-CB 3.39Å; C52-L80 VanDerWaalsContact O-CG 3.3Å; C52-L80 WeakPolarHBondContact O-CG 3.39Å; C52-L80 PolarHBondContact O-N 3.35Å; L78-L80 HydrophobicContact CD2-CD2 4.12Å; L78-L80 HydrophobicContact CG-CD2 4.04Å; L80-I111 VanDerWaalsContact C-CG1 3.46Å; L80-I111 HydrophobicContact CB-CD1 4Å; L80-I111 HydrophobicContact CD2-CD1 3.51Å; L80-I111 HydrophobicContact CG-CD1 4.36Å; L80-C162 HydrophobicContact CD2-CB 3.82Å; L80-H164 WeakPolarHBondContact O-CA 3.16Å; L80-H164 WeakPolarHBondContact O-CB 3.44Å; L80-H164 VanDerWaalsContact O-CG 3.27Å; L80-H164 PolarHBondContact O-ND1 2.98Å; L80-A237 HydrophobicContact CB-CB 3.81Å; L80-A237 HydrophobicContact CD1-CB 4.12Å | ||
| 81 | G | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 11% | 0.108 | C | C | . | . | S | Bend | trans | 93.7 | -172.1 | 179 | 0 | 0 | 0 | 0 | 0 | 114.8 | F79 I111 | F79-G81 VanDerWaalsContact C-N 3.29Å; F79-G81 PolarHBondContact O-N 3.08Å; G81-I111 VanDerWaalsContact CA-O 3.26Å; G81-I111 WeakPolarHBondContact CA-O 3.01Å; G81-I111 PolarHBondContact N-O 3.25Å |
| 82 | D | 98.9 | Very high | 97.8 | Very high | 2 Ų | 2 | 17.9 Ų | 17.9 | 1% | 0.011 | 9% | 0.094 | C | C | . | . | trans | 55.2 | 58 | 179.8 | -81.2 | 18.9 | 0 | 0 | 0 | 112.2 | D54 I55 H56 G113 N114 H115 E116 H164 | D54-D82 HydrophobicContact CB-CB 3.98Å; I55-D82 PolarHBondContact N-O 2.71Å; H56-D82 IonicContact CE1-OD2 3.6Å; H56-D82 PolarHBondContact CE1-OD2 2.81Å; H56-D82 VanDerWaalsContact CE1-OD2 3.28Å; H56-D82 PolarHBondContact N-O 3.42Å; H56-D82 IonicContact NE2-OD2 2.85Å; D82-G113 VanDerWaalsContact OD1-CA 3.31Å; D82-G113 WeakPolarHBondContact OD1-CA 3.39Å; D82-N114 PolarHBondContact OD1-N 3.39Å; D82-N114 PolarHBondContact OD1-OD1 3.01Å; D82-N114 PolarHBondContact OD2-OD1 2.82Å; D82-H115 WeakPolarHBondContact OD1-CB 3.12Å; D82-H115 IonicContact OD1-CD2 3.43Å; D82-H115 IonicContact OD1-CG 2.91Å; D82-H115 PolarHBondContact OD1-N 3.1Å; D82-H115 IonicContact OD2-CD2 3.35Å; D82-H115 PolarHBondContact OD2-CD2 3.01Å; D82-H115 IonicContact OD2-CG 3.98Å; D82-E116 PolarHBondContact N-OE2 2.76Å; D82-H164 IonicContact OD1-CE1 3.15Å; D82-H164 PolarHBondContact OD1-CE1 2.92Å; D82-H164 IonicContact OD1-NE2 2.77Å; D82-H164 PolarHBondContact OD1-NE2 3.23Å; D82-H164 IonicContact OD2-CE1 2.81Å; D82-H164 PolarHBondContact OD2-CE1 2.73Å; D82-H164 IonicContact OD2-NE2 3.78Å; D82-H164 PolarHBondContact OD2-NE2 3.01Å | ||
| 83 | F | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 9% | 0.091 | C | C | . | . | trans | -79 | -32 | 177.3 | -44.3 | -50.5 | 0 | 0 | 0 | 111.6 | G57 F79 T93 F94 L97 L110 I111 E116 L150 | G57-F83 PolarHBondContact N-O 2.81Å; F79-F83 HydrophobicContact CB-CE1 3.66Å; F79-F83 HydrophobicContact CB-CZ 4.32Å; F79-F83 HydrophobicContact CG-CE1 4.47Å; F83-T93 HydrophobicContact CB-CG2 4.46Å; F83-T93 VanDerWaalsContact O-CG2 3.29Å; F83-T93 WeakPolarHBondContact O-CG2 3.37Å; F83-F94 HydrophobicContact CB-CB 4.49Å; F83-F94 HydrophobicContact CB-CD2 4.13Å; F83-F94 AromaticContact CD2-CD2 3.66Å; F83-F94 HydrophobicContact CD2-CD2 3.66Å; F83-F94 AromaticContact CD2-CE2 3.9Å; F83-F94 HydrophobicContact CD2-CE2 3.9Å; F83-F94 HydrophobicContact CE2-CE2 4.36Å; F83-F94 HydrophobicContact CG-CD2 4.2Å; F83-L97 HydrophobicContact CB-CD1 4.29Å; F83-L97 HydrophobicContact CD1-CD1 3.59Å; F83-L97 HydrophobicContact CE1-CD1 4.19Å; F83-L97 HydrophobicContact CG-CD1 4.01Å; F83-L110 HydrophobicContact CE1-CD2 4.38Å; F83-L110 HydrophobicContact CE2-CB 4.36Å; F83-L110 HydrophobicContact CZ-CB 3.96Å; F83-L110 HydrophobicContact CZ-CD2 4.17Å; F83-I111 VanDerWaalsContact CZ-O 3.31Å; F83-I111 WeakPolarHBondContact CZ-O 3.44Å; F83-E116 HydrophobicContact CD2-CG 3.89Å; F83-E116 WeakPolarHBondContact CD2-OE1 3.43Å; F83-E116 HydrophobicContact CE2-CG 4.24Å; F83-E116 PolarHBondContact N-OE1 3.21Å; F83-L150 HydrophobicContact CE2-CD1 3.96Å | ||
| 84 | V | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 15.4 Ų | 15.4 | 0% | 0 | 8% | 0.078 | C | C | . | . | S | Bend | trans | -110.7 | 178.1 | -170.6 | -57 | 0 | 0 | 0 | 0 | 112.7 | H56 F94 H115 E116 T121 F126 F147 | H56-V84 PolarHBondContact ND1-O 2.53Å; V84-F94 HydrophobicContact CG1-CB 3.85Å; V84-F94 HydrophobicContact CG1-CG 4.32Å; V84-H115 HydrophobicContact CG2-CB 4.35Å; V84-E116 PolarHBondContact N-OE1 2.75Å; V84-T121 HydrophobicContact CG2-CG2 3.73Å; V84-F126 HydrophobicContact CB-CB 4.14Å; V84-F126 HydrophobicContact CB-CD1 4.32Å; V84-F126 HydrophobicContact CB-CD2 4.04Å; V84-F126 HydrophobicContact CB-CE2 4.48Å; V84-F126 HydrophobicContact CB-CG 3.92Å; V84-F126 HydrophobicContact CG1-CD1 4.32Å; V84-F126 HydrophobicContact CG1-CD2 3.98Å; V84-F126 HydrophobicContact CG1-CE1 4.29Å; V84-F126 HydrophobicContact CG1-CE2 3.91Å; V84-F126 HydrophobicContact CG1-CG 4.16Å; V84-F126 HydrophobicContact CG1-CZ 4.07Å; V84-F126 HydrophobicContact CG2-CB 4.35Å; V84-F126 HydrophobicContact CG2-CD1 4.32Å; V84-F126 HydrophobicContact CG2-CG 4.29Å; V84-F147 HydrophobicContact CG1-CZ 4.03Å; V84-F147 HydrophobicContact CG2-CE2 4.44Å; V84-F147 HydrophobicContact CG2-CZ 4.2Å |
| 85 | D | 98.1 | Very high | 98 | Very high | 0 Ų | 0 | 8.3 Ų | 8.3 | 0% | 0 | 4% | 0.04 | C | C | . | . | S | Bend | trans | 65.4 | 166.1 | -178.3 | -70 | -34.1 | 0 | 0 | 0 | 114.4 | H56 G87 S90 H115 T121 Y124 G125 F126 | H56-D85 CarbonylContact C-O 3.57Å; H56-D85 WeakPolarHBondContact CA-O 3.16Å; H56-D85 WeakPolarHBondContact CB-O 3.26Å; H56-D85 VanDerWaalsContact O-O 3.06Å; D85-G87 VanDerWaalsContact C-N 3.25Å; D85-G87 PolarHBondContact O-N 3.21Å; D85-S90 PolarHBondContact N-OG 2.93Å; D85-H115 WeakPolarHBondContact CB-ND1 3.48Å; D85-H115 IonicContact OD2-CE1 2.73Å; D85-H115 IonicContact OD2-CG 2.82Å; D85-H115 IonicContact OD2-ND1 2.6Å; D85-H115 PolarHBondContact OD2-ND1 2.9Å; D85-T121 WeakPolarHBondContact OD2-CA 3.12Å; D85-Y124 WeakPolarHBondContact CB-O 3.45Å; D85-Y124 VanDerWaalsContact CG-CB 3.49Å; D85-G125 PolarHBondContact OD1-N 2.83Å; D85-F126 WeakPolarHBondContact OD1-CB 3.37Å; D85-F126 PolarHBondContact OD1-N 3.41Å |
| 86 | R | 95 | Very high | 98 | Very high | 40 Ų | 40 | 6.9 Ų | 6.9 | 15% | 0.151 | 3% | 0.031 | C | C | . | . | S | Bend | trans | 65.1 | -73.4 | -175 | -40.7 | -65.4 | -177.6 | 157.1 | 0 | 111.5 | H56 Y124 Y262 Y305 F306 | H56-R86 HydrophobicContact CB-CB 4.26Å; H56-R86 HydrophobicContact CB-CG 4.44Å; R86-Y124 VanDerWaalsContact CZ-CE1 3.4Å; R86-Y124 PolarHBondContact N-O 2.92Å; R86-Y124 VanDerWaalsContact NH1-CE1 3.32Å; R86-Y124 VanDerWaalsContact NH2-CD1 3.29Å; R86-Y262 HydrophobicContact CB-CE2 4.21Å; R86-Y262 HydrophobicContact CG-CE2 4.09Å; R86-Y262 WeakPolarHBondContact CG-OH 3.41Å; R86-Y305 PolarHBondContact NH1-O 3.29Å; R86-Y305 WeakPolarHBondContact O-CE2 3.16Å; R86-F306 HydrophobicContact CB-CD1 4.46Å; R86-F306 HydrophobicContact CB-CE1 4.15Å; R86-F306 WeakPolarHBondContact O-CE1 3.36Å; R86-F306 WeakPolarHBondContact O-CZ 3.33Å |
| 87 | G | 94.2 | Very high | 98 | Very high | 3 Ų | 3 | 5.3 Ų | 5.3 | 3% | 0.031 | 2% | 0.023 | C | C | . | . | S | Bend | trans | -62.3 | 160.3 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | H56 D85 H89 S90 | H56-G87 WeakPolarHBondContact O-CA 3.23Å; H56-G87 PolarHBondContact O-N 2.8Å; D85-G87 VanDerWaalsContact C-N 3.25Å; D85-G87 PolarHBondContact O-N 3.21Å; G87-H89 VanDerWaalsContact C-N 3.31Å; G87-H89 PolarHBondContact O-N 3Å; G87-S90 PolarHBondContact O-OG 3.35Å |
| 88 | Y | 93.8 | Very high | 98 | Very high | 32 Ų | 32 | 5.3 Ų | 5.3 | 13% | 0.125 | 2% | 0.023 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81 | -6.3 | -175.1 | -63.1 | -68.7 | 0 | 0 | 0 | 115.2 | K133 Y264 I296 P297 F306 | Y88-K133 PolarHBondContact O-NZ 2.8Å; Y88-Y264 AromaticContact CD2-CE2 3.61Å; Y88-Y264 HydrophobicContact CD2-CE2 3.61Å; Y88-Y264 AromaticContact CD2-CZ 3.6Å; Y88-Y264 WeakPolarHBondContact CD2-OH 3.23Å; Y88-Y264 AromaticContact CE2-CD2 4Å; Y88-Y264 HydrophobicContact CE2-CD2 4Å; Y88-Y264 AromaticContact CE2-CE2 3.38Å; Y88-Y264 HydrophobicContact CE2-CE2 3.38Å; Y88-Y264 AromaticContact CE2-CZ 3.8Å; Y88-Y264 PolarHBondContact N-OH 3.36Å; Y88-I296 HydrophobicContact CE2-CB 4.37Å; Y88-I296 HydrophobicContact CE2-CG1 4.25Å; Y88-I296 HydrophobicContact CE2-CG2 4.28Å; Y88-P297 HydrophobicContact CD1-CG 4.28Å; Y88-P297 HydrophobicContact CE1-CG 4.04Å; Y88-P297 VanDerWaalsContact CZ-CD 3.46Å; Y88-F306 AromaticContact CE1-CE2 3.96Å; Y88-F306 HydrophobicContact CE1-CE2 3.96Å; Y88-F306 HydrophobicContact CE1-CZ 4.11Å; Y88-F306 HydrophobicContact CE2-CE2 4.31Å; Y88-F306 HydrophobicContact CE2-CZ 4.13Å; Y88-F306 AromaticContact CZ-CE2 3.61Å; Y88-F306 AromaticContact CZ-CZ 3.81Å; Y88-F306 VanDerWaalsContact OH-CE2 3.32Å; Y88-F306 WeakPolarHBondContact OH-CE2 3.46Å |
| 89 | H | 96.7 | Very high | 98 | Very high | 23 Ų | 23 | 5.3 Ų | 5.3 | 11% | 0.106 | 2% | 0.023 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -126.9 | 33.6 | -170.9 | -58.2 | -81.6 | 0 | 0 | 0 | 112.8 | G57 F59 Y60 G87 V91 E92 T93 | G57-H89 CarbonylContact O-C 3.59Å; G57-H89 WeakPolarHBondContact O-CA 3.3Å; G57-H89 WeakPolarHBondContact O-CB 3.31Å; G57-H89 PolarHBondContact O-N 3.13Å; G57-H89 VanDerWaalsContact O-N 3.14Å; F59-H89 HydrophobicContact CB-CB 3.41Å; F59-H89 VanDerWaalsContact CB-CB 3.41Å; F59-H89 HydrophobicContact CG-CB 4.41Å; Y60-H89 AromaticContact CE2-NE2 3.68Å; G87-H89 VanDerWaalsContact C-N 3.31Å; G87-H89 PolarHBondContact O-N 3Å; H89-V91 PolarHBondContact O-N 2.96Å; H89-E92 VanDerWaalsContact CA-OE2 3.24Å; H89-E92 WeakPolarHBondContact CA-OE2 3.44Å; H89-E92 IonicContact ND1-OE1 2.88Å; H89-E92 IonicContact ND1-OE2 3.89Å; H89-E92 PolarHBondContact O-N 2.83Å; H89-T93 VanDerWaalsContact O-CB 3.3Å; H89-T93 WeakPolarHBondContact O-CB 3.26Å; H89-T93 PolarHBondContact O-N 3.15Å; H89-T93 PolarHBondContact O-OG1 2.81Å |
| 90 | S | 98.4 | Very high | 98 | Very high | 0 Ų | 0 | 5.3 Ų | 5.3 | 0% | 0 | 2% | 0.023 | C | C | . | . | H | α-helix | trans | -59.1 | -35.6 | 177.9 | -58.9 | 0 | 0 | 0 | 0 | 112.5 | D85 G87 F94 F126 E129 | D85-S90 PolarHBondContact N-OG 2.93Å; G87-S90 PolarHBondContact O-OG 3.35Å; S90-F94 WeakPolarHBondContact O-CB 3.11Å; S90-F94 PolarHBondContact O-N 3.15Å; S90-F126 VanDerWaalsContact CB-CD2 3.49Å; S90-E129 WeakPolarHBondContact CB-OE2 3.42Å; S90-E129 VanDerWaalsContact N-CD 3.35Å; S90-E129 PolarHBondContact N-OE1 2.8Å; S90-E129 PolarHBondContact N-OE2 2.89Å; S90-E129 PolarHBondContact OG-OE2 2.85Å |
| 91 | V | 98.4 | Very high | 98 | Very high | 0 Ų | 0 | 5.4 Ų | 5.4 | 0% | 0 | 2% | 0.023 | C | C | . | . | H | α-helix | trans | -66.5 | -49.7 | 178.4 | -179.7 | 0 | 0 | 0 | 0 | 111.1 | L19 H89 T93 L95 F126 E129 C130 K133 Y134 V139 | L19-V91 HydrophobicContact CD2-CG1 4.11Å; H89-V91 PolarHBondContact O-N 2.96Å; V91-T93 VanDerWaalsContact C-N 3.34Å; V91-T93 PolarHBondContact O-N 2.92Å; V91-L95 HydrophobicContact CG1-CD1 3.53Å; V91-L95 HydrophobicContact CG1-CG 4.13Å; V91-L95 VanDerWaalsContact O-CB 3.23Å; V91-L95 WeakPolarHBondContact O-CB 3.28Å; V91-L95 WeakPolarHBondContact O-CG 3.14Å; V91-L95 PolarHBondContact O-N 3.28Å; V91-F126 HydrophobicContact CB-CE2 4.42Å; V91-F126 HydrophobicContact CG2-CD2 4.2Å; V91-F126 HydrophobicContact CG2-CE2 3.67Å; V91-E129 WeakPolarHBondContact CB-OE1 3.22Å; V91-E129 HydrophobicContact CG2-CG 4.06Å; V91-E129 WeakPolarHBondContact CG2-OE1 3.28Å; V91-E129 PolarHBondContact N-OE1 3.43Å; V91-C130 VanDerWaalsContact CG2-SG 3.58Å; V91-K133 HydrophobicContact CB-CD 4.36Å; V91-K133 HydrophobicContact CG2-CD 4.36Å; V91-Y134 HydrophobicContact CG1-CE2 3.72Å; V91-V139 HydrophobicContact CG1-CG1 4.39Å |
| 92 | E | 98.3 | Very high | 97.9 | Very high | 11 Ų | 11 | 6.4 Ų | 6.4 | 5% | 0.051 | 3% | 0.029 | C | C | . | . | H | α-helix | trans | -64 | -41.8 | 177.7 | -61.5 | 86.1 | 164.4 | 0 | 0 | 111 | L19 F59 H89 L96 K133 | L19-E92 HydrophobicContact CD2-CG 3.99Å; F59-E92 HydrophobicContact CD2-CB 3.59Å; F59-E92 HydrophobicContact CE2-CB 3.91Å; F59-E92 HydrophobicContact CG-CB 4.26Å; H89-E92 VanDerWaalsContact CA-OE2 3.24Å; H89-E92 WeakPolarHBondContact CA-OE2 3.44Å; H89-E92 IonicContact ND1-OE1 2.88Å; H89-E92 IonicContact ND1-OE2 3.89Å; H89-E92 PolarHBondContact O-N 2.83Å; E92-L96 WeakPolarHBondContact O-CB 3.49Å; E92-L96 PolarHBondContact O-N 3.1Å; E92-K133 IonicContact OE1-NZ 3.82Å; E92-K133 PolarHBondContact OE1-NZ 2.96Å; E92-K133 IonicContact OE2-NZ 3.39Å; E92-K133 PolarHBondContact OE2-NZ 2.84Å |
| 93 | T | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 10.7 Ų | 10.7 | 0% | 0 | 5% | 0.045 | C | C | . | . | H | α-helix | trans | -58.2 | -57.2 | 177 | -70.4 | 0 | 0 | 0 | 0 | 111.5 | I55 F59 L62 F83 H89 V91 L96 L97 | I55-T93 HydrophobicContact CB-CG2 4.38Å; I55-T93 HydrophobicContact CG2-CG2 3.61Å; F59-T93 WeakPolarHBondContact CA-OG1 3.3Å; L62-T93 HydrophobicContact CD2-CG2 4.06Å; F83-T93 HydrophobicContact CB-CG2 4.46Å; F83-T93 VanDerWaalsContact O-CG2 3.29Å; F83-T93 WeakPolarHBondContact O-CG2 3.37Å; H89-T93 VanDerWaalsContact O-CB 3.3Å; H89-T93 WeakPolarHBondContact O-CB 3.26Å; H89-T93 PolarHBondContact O-N 3.15Å; H89-T93 PolarHBondContact O-OG1 2.81Å; V91-T93 VanDerWaalsContact C-N 3.34Å; V91-T93 PolarHBondContact O-N 2.92Å; T93-L96 PolarHBondContact O-N 3.09Å; T93-L97 HydrophobicContact CG2-CD1 4.35Å; T93-L97 WeakPolarHBondContact O-CG 3.43Å; T93-L97 PolarHBondContact O-N 3.47Å; T93-L97 VanDerWaalsContact O-N 3.12Å |
| 94 | F | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 13.1 Ų | 13.1 | 0% | 0 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -67.1 | -42.8 | -176.5 | -179.4 | -113.3 | 0 | 0 | 0 | 111.8 | F83 V84 S90 L96 L97 L98 C143 I146 F147 | F83-F94 HydrophobicContact CB-CB 4.49Å; F83-F94 HydrophobicContact CB-CD2 4.13Å; F83-F94 AromaticContact CD2-CD2 3.66Å; F83-F94 HydrophobicContact CD2-CD2 3.66Å; F83-F94 AromaticContact CD2-CE2 3.9Å; F83-F94 HydrophobicContact CD2-CE2 3.9Å; F83-F94 HydrophobicContact CE2-CE2 4.36Å; F83-F94 HydrophobicContact CG-CD2 4.2Å; V84-F94 HydrophobicContact CG1-CB 3.85Å; V84-F94 HydrophobicContact CG1-CG 4.32Å; S90-F94 WeakPolarHBondContact O-CB 3.11Å; S90-F94 PolarHBondContact O-N 3.15Å; F94-L96 VanDerWaalsContact C-N 3.32Å; F94-L96 PolarHBondContact O-N 3.33Å; F94-L97 PolarHBondContact O-N 2.92Å; F94-L98 HydrophobicContact CE1-CD2 4.03Å; F94-L98 HydrophobicContact CZ-CD1 4.24Å; F94-L98 HydrophobicContact CZ-CD2 4.24Å; F94-L98 VanDerWaalsContact O-CB 3.27Å; F94-L98 WeakPolarHBondContact O-CB 3.46Å; F94-L98 PolarHBondContact O-N 2.88Å; F94-C143 HydrophobicContact CD1-CB 3.96Å; F94-C143 HydrophobicContact CE1-CB 3.8Å; F94-I146 HydrophobicContact CZ-CB 4.43Å; F94-I146 HydrophobicContact CZ-CG2 3.96Å; F94-F147 AromaticContact CD1-CE1 3.89Å; F94-F147 HydrophobicContact CD1-CE1 3.89Å; F94-F147 HydrophobicContact CD1-CZ 4.48Å; F94-F147 AromaticContact CD2-CE1 3.93Å; F94-F147 HydrophobicContact CD2-CE1 3.93Å; F94-F147 HydrophobicContact CE1-CD1 4.18Å; F94-F147 AromaticContact CE1-CE1 3.53Å; F94-F147 HydrophobicContact CE1-CE1 3.53Å; F94-F147 HydrophobicContact CE1-CZ 4.42Å; F94-F147 HydrophobicContact CE2-CD1 4.03Å; F94-F147 AromaticContact CE2-CE1 3.58Å; F94-F147 HydrophobicContact CE2-CE1 3.58Å; F94-F147 HydrophobicContact CG-CE1 4.09Å; F94-F147 AromaticContact CZ-CD1 3.69Å; F94-F147 HydrophobicContact CZ-CD1 3.69Å; F94-F147 AromaticContact CZ-CE1 3.37Å; F94-F147 HydrophobicContact CZ-CE1 3.37Å |
| 95 | L | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 15.2 Ų | 15.2 | 0% | 0 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -65.4 | -35.4 | 179.1 | -66.5 | 179.1 | 0 | 0 | 0 | 112.3 | L14 I20 V25 L28 V91 A99 | L14-L95 HydrophobicContact CD1-CB 3.99Å; L14-L95 HydrophobicContact CD2-CB 3.77Å; L14-L95 HydrophobicContact CD2-CD1 4.34Å; I20-L95 HydrophobicContact CD1-CD1 4.4Å; I20-L95 HydrophobicContact CG1-CD1 4.13Å; V25-L95 HydrophobicContact CG1-CD2 3.82Å; V25-L95 HydrophobicContact CG2-CD1 3.74Å; V25-L95 HydrophobicContact CG2-CD2 4.2Å; L28-L95 HydrophobicContact CD2-CD2 4.24Å; V91-L95 HydrophobicContact CG1-CD1 3.53Å; V91-L95 HydrophobicContact CG1-CG 4.13Å; V91-L95 VanDerWaalsContact O-CB 3.23Å; V91-L95 WeakPolarHBondContact O-CB 3.28Å; V91-L95 WeakPolarHBondContact O-CG 3.14Å; V91-L95 PolarHBondContact O-N 3.28Å; L95-A99 VanDerWaalsContact O-CB 3.23Å; L95-A99 WeakPolarHBondContact O-CB 3.43Å; L95-A99 PolarHBondContact O-N 3.37Å |
| 96 | L | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -63.7 | -50.8 | 174.5 | 176.4 | 58.4 | 0 | 0 | 0 | 110.9 | I11 L14 R15 F59 L62 I63 F66 E92 T93 F94 L98 A99 L100 | I11-L96 HydrophobicContact CG2-CD1 4.39Å; L14-L96 HydrophobicContact CB-CB 4.21Å; L14-L96 HydrophobicContact CB-CD1 4.15Å; R15-L96 HydrophobicContact CG-CD1 3.72Å; R15-L96 HydrophobicContact CG-CD2 4.26Å; F59-L96 HydrophobicContact CE2-CD2 3.82Å; F59-L96 HydrophobicContact CZ-CD2 4.35Å; L62-L96 HydrophobicContact CD2-CD2 4.21Å; I63-L96 HydrophobicContact CD1-CD2 4.03Å; F66-L96 HydrophobicContact CE2-CD2 4.33Å; E92-L96 WeakPolarHBondContact O-CB 3.49Å; E92-L96 PolarHBondContact O-N 3.1Å; T93-L96 PolarHBondContact O-N 3.09Å; F94-L96 VanDerWaalsContact C-N 3.32Å; F94-L96 PolarHBondContact O-N 3.33Å; L96-L98 VanDerWaalsContact C-N 3.28Å; L96-L98 PolarHBondContact O-N 3.48Å; L96-A99 PolarHBondContact O-N 3.41Å; L96-L100 HydrophobicContact CD1-CD1 4.06Å; L96-L100 HydrophobicContact CD1-CG 4.16Å; L96-L100 HydrophobicContact CG-CD1 4.1Å; L96-L100 VanDerWaalsContact O-CG 3.29Å; L96-L100 WeakPolarHBondContact O-CG 3.17Å; L96-L100 PolarHBondContact O-N 3.45Å |
| 97 | L | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -59.3 | -41.7 | 177.9 | -68.6 | 175 | 0 | 0 | 0 | 111.4 | L62 F66 F79 F83 T93 F94 L100 K101 I108 L110 | L62-L97 HydrophobicContact CD1-CD2 4.22Å; L62-L97 HydrophobicContact CD2-CD1 4.48Å; L62-L97 HydrophobicContact CD2-CD2 4.17Å; L62-L97 HydrophobicContact CD2-CG 4.1Å; F66-L97 HydrophobicContact CZ-CD2 4.1Å; F79-L97 HydrophobicContact CD1-CD1 4.44Å; F79-L97 HydrophobicContact CD1-CD2 4.32Å; F79-L97 HydrophobicContact CD2-CD2 4.15Å; F79-L97 HydrophobicContact CE1-CD2 3.9Å; F79-L97 HydrophobicContact CE2-CD2 3.7Å; F79-L97 HydrophobicContact CG-CD2 4.44Å; F79-L97 HydrophobicContact CZ-CD2 3.58Å; F83-L97 HydrophobicContact CB-CD1 4.29Å; F83-L97 HydrophobicContact CD1-CD1 3.59Å; F83-L97 HydrophobicContact CE1-CD1 4.19Å; F83-L97 HydrophobicContact CG-CD1 4.01Å; T93-L97 HydrophobicContact CG2-CD1 4.35Å; T93-L97 WeakPolarHBondContact O-CG 3.43Å; T93-L97 PolarHBondContact O-N 3.47Å; T93-L97 VanDerWaalsContact O-N 3.12Å; F94-L97 PolarHBondContact O-N 2.92Å; L97-L100 PolarHBondContact O-N 3.46Å; L97-K101 WeakPolarHBondContact O-CB 3.26Å; L97-K101 PolarHBondContact O-N 2.99Å; L97-I108 HydrophobicContact CD2-CD1 4.11Å; L97-L110 HydrophobicContact CB-CD1 4.28Å; L97-L110 HydrophobicContact CB-CD2 4.23Å |
| 98 | L | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -66.5 | -41.9 | 177.8 | -165.3 | 65.7 | 0 | 0 | 0 | 112.3 | L28 A32 F94 L96 K101 V102 I146 | L28-L98 HydrophobicContact CD2-CB 4.35Å; L28-L98 HydrophobicContact CD2-CD2 4.25Å; L28-L98 HydrophobicContact CD2-CG 4.42Å; L28-L98 HydrophobicContact CG-CD2 4.08Å; L28-L98 HydrophobicContact CG-CG 4.26Å; A32-L98 HydrophobicContact CB-CD1 3.44Å; A32-L98 VanDerWaalsContact CB-CD1 3.44Å; A32-L98 HydrophobicContact CB-CD2 4.1Å; A32-L98 HydrophobicContact CB-CG 3.8Å; F94-L98 HydrophobicContact CE1-CD2 4.03Å; F94-L98 HydrophobicContact CZ-CD1 4.24Å; F94-L98 HydrophobicContact CZ-CD2 4.24Å; F94-L98 VanDerWaalsContact O-CB 3.27Å; F94-L98 WeakPolarHBondContact O-CB 3.46Å; F94-L98 PolarHBondContact O-N 2.88Å; L96-L98 VanDerWaalsContact C-N 3.28Å; L96-L98 PolarHBondContact O-N 3.48Å; L98-K101 WeakPolarHBondContact O-CB 3.05Å; L98-K101 PolarHBondContact O-N 2.77Å; L98-V102 WeakPolarHBondContact O-CG2 3.49Å; L98-V102 PolarHBondContact O-N 2.69Å; L98-I146 HydrophobicContact CD1-CG2 3.82Å; L98-I146 HydrophobicContact CD2-CG2 4.29Å |
| 99 | A | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -63.9 | -41 | 176 | 0 | 0 | 0 | 0 | 0 | 111.8 | L7 I11 L14 L28 L95 L96 K101 V102 R103 | L7-A99 HydrophobicContact CD1-CB 4.21Å; I11-A99 HydrophobicContact CD1-CB 4.45Å; I11-A99 HydrophobicContact CG1-CB 3.67Å; L14-A99 HydrophobicContact CD1-CB 4.02Å; L28-A99 HydrophobicContact CD1-CB 4.13Å; L28-A99 HydrophobicContact CD2-CB 4.06Å; L95-A99 VanDerWaalsContact O-CB 3.23Å; L95-A99 WeakPolarHBondContact O-CB 3.43Å; L95-A99 PolarHBondContact O-N 3.37Å; L96-A99 PolarHBondContact O-N 3.41Å; A99-K101 VanDerWaalsContact C-N 3.34Å; A99-V102 PolarHBondContact O-N 3.01Å; A99-R103 VanDerWaalsContact O-CB 3.27Å; A99-R103 WeakPolarHBondContact O-CB 3.24Å; A99-R103 PolarHBondContact O-N 3.31Å |
| 100 | L | 98.7 | Very high | 98.5 | Very high | 1 Ų | 1 | 23.7 Ų | 23.7 | 1% | 0.005 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -63.3 | -40.2 | 172.8 | -67.5 | 171.1 | 0 | 0 | 0 | 111.4 | I11 F66 L96 L97 R103 Y104 I108 | I11-L100 HydrophobicContact CD1-CD2 4.35Å; I11-L100 HydrophobicContact CG2-CD2 4.07Å; F66-L100 HydrophobicContact CE2-CD1 4.14Å; F66-L100 HydrophobicContact CZ-CD1 3.78Å; L96-L100 HydrophobicContact CD1-CD1 4.06Å; L96-L100 HydrophobicContact CD1-CG 4.16Å; L96-L100 HydrophobicContact CG-CD1 4.1Å; L96-L100 VanDerWaalsContact O-CG 3.29Å; L96-L100 WeakPolarHBondContact O-CG 3.17Å; L96-L100 PolarHBondContact O-N 3.45Å; L97-L100 PolarHBondContact O-N 3.46Å; L100-R103 PolarHBondContact O-N 3.24Å; L100-Y104 HydrophobicContact CD2-CD2 4.33Å; L100-Y104 HydrophobicContact CD2-CE2 4.25Å; L100-Y104 PolarHBondContact O-N 2.73Å; L100-I108 HydrophobicContact CB-CD1 4.19Å |
| 101 | K | 98.6 | Very high | 98.5 | Very high | 2 Ų | 2 | 23.7 Ų | 23.7 | 1% | 0.009 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -60.3 | -46.5 | 173.9 | 178.9 | 62.6 | -179 | 177.3 | 0 | 112.7 | L36 E39 L97 L98 A99 R103 Y104 P105 I108 L110 | L36-K101 HydrophobicContact CD2-CG 4.47Å; E39-K101 WeakPolarHBondContact OE1-CE 3.33Å; E39-K101 IonicContact OE1-NZ 3.27Å; E39-K101 PolarHBondContact OE1-NZ 3.21Å; L97-K101 WeakPolarHBondContact O-CB 3.26Å; L97-K101 PolarHBondContact O-N 2.99Å; L98-K101 WeakPolarHBondContact O-CB 3.05Å; L98-K101 PolarHBondContact O-N 2.77Å; A99-K101 VanDerWaalsContact C-N 3.34Å; K101-R103 VanDerWaalsContact C-N 3.29Å; K101-R103 PolarHBondContact O-N 3.26Å; K101-Y104 CarbonylContact O-C 3.58Å; K101-P105 PolarHBondContact NZ-O 2.92Å; K101-P105 WeakPolarHBondContact O-CA 3.48Å; K101-P105 VanDerWaalsContact O-N 3.15Å; K101-I108 HydrophobicContact CB-CG2 3.86Å; K101-I108 HydrophobicContact CD-CG2 3.85Å; K101-I108 WeakPolarHBondContact CD-O 3.41Å; K101-I108 WeakPolarHBondContact CE-O 3.19Å; K101-I108 PolarHBondContact NZ-O 2.98Å; K101-L110 HydrophobicContact CB-CD1 4.07Å; K101-L110 HydrophobicContact CG-CD1 4.47Å |
| 102 | V | 98.5 | Very high | 98.5 | Very high | 20 Ų | 20 | 23.7 Ų | 23.7 | 12% | 0.121 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -65.3 | -36.9 | 177.7 | 174.6 | 0 | 0 | 0 | 0 | 111.3 | L7 L28 K31 A32 I35 L98 A99 | L7-V102 HydrophobicContact CD2-CB 4.28Å; L7-V102 HydrophobicContact CD2-CG1 3.73Å; L28-V102 HydrophobicContact CD1-CB 4.03Å; L28-V102 HydrophobicContact CD1-CG1 4.5Å; L28-V102 HydrophobicContact CD1-CG2 3.72Å; K31-V102 HydrophobicContact CB-CG1 3.75Å; K31-V102 HydrophobicContact CB-CG2 4.19Å; K31-V102 HydrophobicContact CD-CG1 4.02Å; A32-V102 HydrophobicContact CB-CG2 3.7Å; I35-V102 HydrophobicContact CD1-CB 4.33Å; I35-V102 HydrophobicContact CD1-CG1 4.37Å; I35-V102 HydrophobicContact CD1-CG2 4.25Å; L98-V102 WeakPolarHBondContact O-CG2 3.49Å; L98-V102 PolarHBondContact O-N 2.69Å; A99-V102 PolarHBondContact O-N 3.01Å |
| 103 | R | 98 | Very high | 98.5 | Very high | 93 Ų | 93 | 23.2 Ų | 23.2 | 35% | 0.351 | 11% | 0.109 | S | C | . | . | H | α-helix | trans | -77.5 | -33.9 | -177.2 | -178.6 | 59.7 | -174.7 | 78.7 | 0.6 | 113.5 | L7 D8 I11 A99 L100 K101 | L7-R103 HydrophobicContact CD2-CB 3.73Å; L7-R103 HydrophobicContact CD2-CG 4.4Å; L7-R103 HydrophobicContact CG-CB 4.27Å; D8-R103 WeakPolarHBondContact OD1-CD 3.46Å; D8-R103 IonicContact OD1-CZ 3.37Å; D8-R103 IonicContact OD1-NE 3.41Å; D8-R103 PolarHBondContact OD1-NE 2.79Å; I11-R103 HydrophobicContact CD1-CB 3.59Å; I11-R103 HydrophobicContact CD1-CG 3.76Å; A99-R103 VanDerWaalsContact O-CB 3.27Å; A99-R103 WeakPolarHBondContact O-CB 3.24Å; A99-R103 PolarHBondContact O-N 3.31Å; L100-R103 PolarHBondContact O-N 3.24Å; K101-R103 VanDerWaalsContact C-N 3.29Å; K101-R103 PolarHBondContact O-N 3.26Å |
| 104 | Y | 98.1 | Very high | 98.5 | Very high | 50 Ų | 50 | 23.4 Ų | 23.4 | 20% | 0.196 | 11% | 0.11 | C | C | . | . | trans | -136 | 64.5 | -174.1 | -52 | -73 | 0 | 0 | 0 | 110.6 | V72 P73 L100 K101 D106 R107 I108 | V72-Y104 HydrophobicContact CB-CD2 4.45Å; V72-Y104 HydrophobicContact CG1-CD2 3.38Å; V72-Y104 HydrophobicContact CG1-CE2 3.99Å; V72-Y104 HydrophobicContact CG1-CG 3.75Å; P73-Y104 HydrophobicContact CB-CD1 3.68Å; P73-Y104 HydrophobicContact CB-CE1 3.7Å; P73-Y104 HydrophobicContact CB-CG 4.21Å; P73-Y104 HydrophobicContact CG-CD1 4.26Å; P73-Y104 HydrophobicContact CG-CE1 3.74Å; L100-Y104 HydrophobicContact CD2-CD2 4.33Å; L100-Y104 HydrophobicContact CD2-CE2 4.25Å; L100-Y104 PolarHBondContact O-N 2.73Å; K101-Y104 CarbonylContact O-C 3.58Å; Y104-D106 PolarHBondContact O-N 3.28Å; Y104-D106 VanDerWaalsContact O-N 3.1Å; Y104-R107 PolarHBondContact O-N 2.8Å; Y104-I108 PolarHBondContact O-N 3Å | ||
| 105 | P | 97.6 | Very high | 98.5 | Very high | 45 Ų | 45 | 23.8 Ų | 23.8 | 29% | 0.292 | 11% | 0.111 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | -31.2 | -171.6 | 22 | -34 | 0 | 0 | 0 | 113.8 | I35 K101 | I35-P105 HydrophobicContact CD1-CB 4.38Å; I35-P105 HydrophobicContact CG2-CB 4Å; K101-P105 PolarHBondContact NZ-O 2.92Å; K101-P105 WeakPolarHBondContact O-CA 3.48Å; K101-P105 VanDerWaalsContact O-N 3.15Å |
| 106 | D | 97.1 | Very high | 98.5 | Very high | 148 Ų | 148 | 23.8 Ų | 23.8 | 79% | 0.791 | 11% | 0.111 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -88.4 | -1.8 | 180 | -50 | -46.6 | 0 | 0 | 0 | 113.8 | Y104 | Y104-D106 PolarHBondContact O-N 3.28Å; Y104-D106 VanDerWaalsContact O-N 3.1Å |
| 107 | R | 98.3 | Very high | 98.5 | Very high | 114 Ų | 114 | 24 Ų | 24 | 43% | 0.43 | 11% | 0.113 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -112 | -13.9 | -174.9 | -54.3 | -64.1 | 171.9 | 144.6 | -9.9 | 113.6 | V72 P73 N76 Y77 Y104 | V72-R107 HydrophobicContact CG1-CB 4.09Å; P73-R107 HydrophobicContact CB-CG 4.21Å; N76-R107 CarbonylContact C-O 3.44Å; N76-R107 VanDerWaalsContact CA-O 3.25Å; N76-R107 WeakPolarHBondContact CA-O 3.46Å; N76-R107 WeakPolarHBondContact OD1-CD 3.44Å; Y77-R107 PolarHBondContact N-O 2.81Å; Y104-R107 PolarHBondContact O-N 2.8Å |
| 108 | I | 98.4 | Very high | 98.5 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 128.5 | 179.4 | -172.3 | 173.1 | 0 | 0 | 0 | 109.6 | Y77 F79 L97 L100 K101 Y104 L110 | Y77-I108 CarbonylContact O-C 3.49Å; Y77-I108 WeakPolarHBondContact O-CA 3.45Å; F79-I108 HydrophobicContact CD2-CD1 3.99Å; F79-I108 HydrophobicContact CD2-CG1 4.02Å; F79-I108 HydrophobicContact CE2-CD1 3.72Å; F79-I108 HydrophobicContact CE2-CG1 4.09Å; L97-I108 HydrophobicContact CD2-CD1 4.11Å; L100-I108 HydrophobicContact CB-CD1 4.19Å; K101-I108 HydrophobicContact CB-CG2 3.86Å; K101-I108 HydrophobicContact CD-CG2 3.85Å; K101-I108 WeakPolarHBondContact CD-O 3.41Å; K101-I108 WeakPolarHBondContact CE-O 3.19Å; K101-I108 PolarHBondContact NZ-O 2.98Å; Y104-I108 PolarHBondContact O-N 3Å; I108-L110 HydrophobicContact CD1-CD2 3.97Å; I108-L110 HydrophobicContact CG1-CD2 3.95Å; I108-L110 HydrophobicContact CG1-CG 4.5Å |
| 109 | T | 98.8 | Very high | 98.4 | Very high | 13 Ų | 13 | 31.1 Ų | 31.1 | 8% | 0.08 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 131.8 | 173.3 | -59.8 | 0 | 0 | 0 | 0 | 108.3 | Q43 V45 Y77 L78 F79 I111 | Q43-T109 HydrophobicContact CB-CG2 4.22Å; Q43-T109 HydrophobicContact CG-CG2 3.91Å; V45-T109 HydrophobicContact CG2-CG2 4.16Å; Y77-T109 PolarHBondContact O-N 2.87Å; L78-T109 WeakPolarHBondContact CA-O 3.44Å; L78-T109 HydrophobicContact CD1-CG2 3.58Å; F79-T109 PolarHBondContact N-O 3.31Å; T109-I111 HydrophobicContact CG2-CG2 4.43Å |
| 110 | L | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 111.9 | 179.1 | -56.4 | 179.3 | 0 | 0 | 0 | 107.4 | F79 F83 L97 K101 I108 L150 C151 | F79-L110 HydrophobicContact CB-CD2 3.95Å; F79-L110 HydrophobicContact CD2-CD2 3.86Å; F79-L110 HydrophobicContact CG-CD2 4.14Å; F83-L110 HydrophobicContact CE1-CD2 4.38Å; F83-L110 HydrophobicContact CE2-CB 4.36Å; F83-L110 HydrophobicContact CZ-CB 3.96Å; F83-L110 HydrophobicContact CZ-CD2 4.17Å; L97-L110 HydrophobicContact CB-CD1 4.28Å; L97-L110 HydrophobicContact CB-CD2 4.23Å; K101-L110 HydrophobicContact CB-CD1 4.07Å; K101-L110 HydrophobicContact CG-CD1 4.47Å; I108-L110 HydrophobicContact CD1-CD2 3.97Å; I108-L110 HydrophobicContact CG1-CD2 3.95Å; I108-L110 HydrophobicContact CG1-CG 4.5Å; L110-L150 HydrophobicContact CB-CD2 3.82Å; L110-C151 PolarHBondContact O-SG 3.26Å; L110-C151 VanDerWaalsContact O-SG 3.35Å |
| 111 | I | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 15% | 0.149 | C | C | . | . | B | Isolated β-bridge | trans | -92.6 | 156.2 | 170.6 | 82.2 | -174.4 | 0 | 0 | 0 | 109.5 | L78 F79 L80 G81 F83 T109 C151 A154 | L78-I111 HydrophobicContact CD1-CG2 3.81Å; F79-I111 PolarHBondContact O-N 3.11Å; L80-I111 VanDerWaalsContact C-CG1 3.46Å; L80-I111 HydrophobicContact CB-CD1 4Å; L80-I111 HydrophobicContact CD2-CD1 3.51Å; L80-I111 HydrophobicContact CG-CD1 4.36Å; G81-I111 VanDerWaalsContact CA-O 3.26Å; G81-I111 WeakPolarHBondContact CA-O 3.01Å; G81-I111 PolarHBondContact N-O 3.25Å; F83-I111 VanDerWaalsContact CZ-O 3.31Å; F83-I111 WeakPolarHBondContact CZ-O 3.44Å; T109-I111 HydrophobicContact CG2-CG2 4.43Å; I111-C151 CarbonylContact C-O 3.51Å; I111-C151 VanDerWaalsContact CA-O 3.26Å; I111-C151 WeakPolarHBondContact CA-O 3.22Å; I111-C151 WeakPolarHBondContact CB-O 3.32Å; I111-A154 HydrophobicContact CG2-CB 4.26Å |
| 112 | R | 98.9 | Very high | 98.3 | Very high | 1 Ų | 1 | 37.4 Ų | 37.4 | 0% | 0.004 | 17% | 0.174 | C | C | . | . | trans | -73.1 | 132.1 | 179.1 | -158.9 | 174.3 | -174.3 | 166.4 | 7.4 | 110.2 | E116 F147 D148 L150 C151 H164 Q184 L196 | R112-E116 HydrophobicContact CG-CB 3.82Å; R112-E116 PolarHBondContact NE-O 2.73Å; R112-E116 PolarHBondContact NH2-O 2.85Å; R112-F147 WeakPolarHBondContact CD-O 3.38Å; R112-F147 VanDerWaalsContact CZ-O 3.27Å; R112-F147 PolarHBondContact NE-O 3.12Å; R112-D148 IonicContact CZ-OD1 2.84Å; R112-D148 IonicContact NH1-OD1 2.61Å; R112-D148 IonicContact NH2-OD1 3.99Å; R112-D148 PolarHBondContact NH2-OD1 3.03Å; R112-L150 HydrophobicContact CB-CB 3.8Å; R112-L150 HydrophobicContact CB-CD1 4.35Å; R112-L150 HydrophobicContact CG-CB 4.24Å; R112-L150 HydrophobicContact CG-CD1 4.25Å; R112-C151 PolarHBondContact N-O 3.47Å; R112-H164 WeakPolarHBondContact O-CB 3.35Å; R112-Q184 PolarHBondContact NH1-O 2.61Å; R112-L196 HydrophobicContact CB-CD2 4.34Å; R112-L196 HydrophobicContact CG-CD1 4.38Å; R112-L196 WeakPolarHBondContact O-CD2 2.98Å | ||
| 113 | G | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 20% | 0.196 | C | C | . | . | trans | -94.9 | 177.8 | 164 | 0 | 0 | 0 | 0 | 0 | 112.1 | D82 H115 E116 H164 | D82-G113 VanDerWaalsContact OD1-CA 3.31Å; D82-G113 WeakPolarHBondContact OD1-CA 3.39Å; G113-H115 VanDerWaalsContact C-N 3.26Å; G113-H115 PolarHBondContact O-N 2.91Å; G113-E116 VanDerWaalsContact CA-OE2 3.25Å; G113-E116 WeakPolarHBondContact CA-OE2 2.96Å; G113-E116 PolarHBondContact N-OE2 2.87Å; G113-E116 PolarHBondContact O-N 2.83Å; G113-H164 VanDerWaalsContact CA-CG 3.45Å | ||
| 114 | N | 98.7 | Very high | 98.1 | Very high | 4 Ų | 4 | 40 Ų | 40 | 2% | 0.021 | 19% | 0.193 | C | C | . | . | S | Bend | trans | -74.2 | -21.1 | 177.9 | 70.3 | -68.7 | 0 | 0 | 0 | 112.5 | D82 H164 L196 W197 H238 | D82-N114 PolarHBondContact OD1-N 3.39Å; D82-N114 PolarHBondContact OD1-OD1 3.01Å; D82-N114 PolarHBondContact OD2-OD1 2.82Å; N114-H164 PolarHBondContact N-CD2 3.28Å; N114-H164 PolarHBondContact OD1-NE2 2.88Å; N114-L196 HydrophobicContact CB-CB 4.16Å; N114-W197 HydrophobicContact CB-CD2 3.95Å; N114-W197 HydrophobicContact CB-CG 4.29Å; N114-W197 HydrophobicContact CB-CH2 4.49Å; N114-W197 HydrophobicContact CB-CZ2 3.82Å; N114-W197 WeakPolarHBondContact ND2-CH2 3.22Å; N114-W197 VanDerWaalsContact ND2-CZ2 3.34Å; N114-W197 WeakPolarHBondContact ND2-CZ2 3.1Å; N114-H238 VanDerWaalsContact CG-CE1 3.49Å; N114-H238 PolarHBondContact OD1-CE1 2.95Å; N114-H238 PolarHBondContact OD1-ND1 3.15Å |
| 115 | H | 98.7 | Very high | 97.9 | Very high | 8 Ų | 8 | 38 Ų | 38 | 4% | 0.037 | 19% | 0.187 | C | C | . | . | S | Bend | trans | -78.8 | -15.2 | 174.7 | -81.9 | -98.1 | 0 | 0 | 0 | 114.1 | H56 D82 V84 D85 G113 S117 I120 T121 Y124 | H56-H115 AromaticContact CE1-CD2 3.51Å; H56-H115 AromaticContact CE1-CG 3.75Å; H56-H115 AromaticContact CE1-NE2 3.73Å; D82-H115 WeakPolarHBondContact OD1-CB 3.12Å; D82-H115 IonicContact OD1-CD2 3.43Å; D82-H115 IonicContact OD1-CG 2.91Å; D82-H115 PolarHBondContact OD1-N 3.1Å; D82-H115 IonicContact OD2-CD2 3.35Å; D82-H115 PolarHBondContact OD2-CD2 3.01Å; D82-H115 IonicContact OD2-CG 3.98Å; V84-H115 HydrophobicContact CG2-CB 4.35Å; D85-H115 WeakPolarHBondContact CB-ND1 3.48Å; D85-H115 IonicContact OD2-CE1 2.73Å; D85-H115 IonicContact OD2-CG 2.82Å; D85-H115 IonicContact OD2-ND1 2.6Å; D85-H115 PolarHBondContact OD2-ND1 2.9Å; G113-H115 VanDerWaalsContact C-N 3.26Å; G113-H115 PolarHBondContact O-N 2.91Å; H115-S117 PolarHBondContact O-N 2.93Å; H115-I120 HydrophobicContact CB-CG2 4.29Å; H115-I120 VanDerWaalsContact ND1-CG2 3.26Å; H115-I120 WeakPolarHBondContact ND1-CG2 3.42Å; H115-T121 WeakPolarHBondContact O-CG2 3.47Å; H115-Y124 AromaticContact CE1-CG 3.91Å |
| 116 | E | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 17% | 0.173 | C | C | . | . | S | Bend | trans | -78.1 | 55.2 | 170.8 | -77.4 | 73.5 | -130.7 | 0 | 0 | 111.9 | D82 F83 V84 R112 G113 F147 L150 | D82-E116 PolarHBondContact N-OE2 2.76Å; F83-E116 HydrophobicContact CD2-CG 3.89Å; F83-E116 WeakPolarHBondContact CD2-OE1 3.43Å; F83-E116 HydrophobicContact CE2-CG 4.24Å; F83-E116 PolarHBondContact N-OE1 3.21Å; V84-E116 PolarHBondContact N-OE1 2.75Å; R112-E116 HydrophobicContact CG-CB 3.82Å; R112-E116 PolarHBondContact NE-O 2.73Å; R112-E116 PolarHBondContact NH2-O 2.85Å; G113-E116 VanDerWaalsContact CA-OE2 3.25Å; G113-E116 WeakPolarHBondContact CA-OE2 2.96Å; G113-E116 PolarHBondContact N-OE2 2.87Å; G113-E116 PolarHBondContact O-N 2.83Å; E116-F147 VanDerWaalsContact C-CD2 3.4Å; E116-F147 VanDerWaalsContact CA-CD2 3.49Å; E116-F147 HydrophobicContact CB-CB 3.91Å; E116-F147 HydrophobicContact CB-CD1 3.92Å; E116-F147 HydrophobicContact CB-CD2 3.8Å; E116-F147 HydrophobicContact CB-CE1 4.38Å; E116-F147 HydrophobicContact CB-CE2 4.3Å; E116-F147 HydrophobicContact CB-CG 3.61Å; E116-F147 HydrophobicContact CG-CD1 3.64Å; E116-F147 HydrophobicContact CG-CD2 4.17Å; E116-F147 HydrophobicContact CG-CE1 3.73Å; E116-F147 HydrophobicContact CG-CE2 4.27Å; E116-F147 HydrophobicContact CG-CG 3.89Å; E116-F147 HydrophobicContact CG-CZ 4.07Å; E116-F147 WeakPolarHBondContact O-CB 3.26Å; E116-L150 HydrophobicContact CB-CD1 4.21Å; E116-L150 HydrophobicContact CG-CD1 3.94Å |
| 117 | S | 98.6 | Very high | 98 | Very high | 4 Ų | 4 | 32 Ų | 32 | 3% | 0.028 | 15% | 0.148 | C | C | . | . | S | Bend | trans | -135.6 | 141.3 | -176.4 | 156.8 | 0 | 0 | 0 | 0 | 110.4 | H115 Q119 I120 T121 E185 | H115-S117 PolarHBondContact O-N 2.93Å; S117-Q119 VanDerWaalsContact C-N 3.31Å; S117-Q119 PolarHBondContact O-N 2.92Å; S117-Q119 PolarHBondContact OG-N 3.19Å; S117-I120 PolarHBondContact OG-N 3.27Å; S117-T121 WeakPolarHBondContact O-CB 3.45Å; S117-T121 VanDerWaalsContact O-CG2 3.24Å; S117-T121 WeakPolarHBondContact O-CG2 3.46Å; S117-T121 PolarHBondContact O-N 3.45Å; S117-T121 PolarHBondContact O-OG1 3.27Å; S117-E185 WeakPolarHBondContact CA-OE1 3.44Å; S117-E185 WeakPolarHBondContact CB-OE1 3.39Å; S117-E185 PolarHBondContact OG-OE1 3.37Å |
| 118 | R | 98.6 | Very high | 98 | Very high | 66 Ų | 66 | 32.6 Ų | 32.6 | 25% | 0.249 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -61.4 | -41.8 | 174.9 | -68.6 | 170.7 | -175.2 | 82.8 | -2.8 | 111.5 | T121 M122 W140 T144 D148 E185 | R118-T121 PolarHBondContact O-OG1 2.85Å; R118-M122 VanDerWaalsContact O-CG 3.25Å; R118-M122 WeakPolarHBondContact O-CG 3.41Å; R118-M122 PolarHBondContact O-N 3.45Å; R118-W140 HydrophobicContact CB-CH2 4.23Å; R118-W140 HydrophobicContact CB-CZ2 3.87Å; R118-W140 HydrophobicContact CG-CH2 4.18Å; R118-W140 HydrophobicContact CG-CZ2 3.98Å; R118-T144 HydrophobicContact CG-CG2 3.87Å; R118-T144 PolarHBondContact NH2-O 2.83Å; R118-D148 IonicContact CZ-OD1 2.66Å; R118-D148 IonicContact CZ-OD2 3.18Å; R118-D148 VanDerWaalsContact CZ-OD2 3.28Å; R118-D148 IonicContact NH1-OD1 3.54Å; R118-D148 PolarHBondContact NH1-OD1 2.71Å; R118-D148 IonicContact NH1-OD2 3.03Å; R118-D148 PolarHBondContact NH1-OD2 2.99Å; R118-D148 IonicContact NH2-OD2 3.13Å; R118-D148 PolarHBondContact NH2-OD2 2.77Å; R118-E185 VanDerWaalsContact CB-OE2 3.3Å; R118-E185 WeakPolarHBondContact CB-OE2 3.18Å; R118-E185 WeakPolarHBondContact CD-OE2 3.48Å; R118-E185 VanDerWaalsContact CG-OE2 3.22Å; R118-E185 WeakPolarHBondContact CG-OE2 3.48Å; R118-E185 IonicContact CZ-OE2 3.6Å; R118-E185 PolarHBondContact N-OE1 3.01Å; R118-E185 PolarHBondContact N-OE2 3.08Å; R118-E185 VanDerWaalsContact N-OE2 3.1Å; R118-E185 IonicContact NH1-OE2 3.96Å; R118-E185 PolarHBondContact NH1-OE2 2.84Å |
| 119 | Q | 97.4 | Very high | 97.9 | Very high | 85 Ų | 85 | 33 Ų | 33 | 40% | 0.397 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -66.6 | -42.8 | -176.8 | -59.9 | -174.3 | 6.1 | 0 | 0 | 111.9 | S117 E185 H188 | S117-Q119 VanDerWaalsContact C-N 3.31Å; S117-Q119 PolarHBondContact O-N 2.92Å; S117-Q119 PolarHBondContact OG-N 3.19Å; Q119-E185 PolarHBondContact N-OE1 3.47Å; Q119-H188 PolarHBondContact NE2-CE1 2.91Å; Q119-H188 PolarHBondContact NE2-NE2 2.94Å; Q119-H188 PolarHBondContact OE1-CE1 3.22Å |
| 120 | I | 97.9 | Very high | 97.9 | Very high | 24 Ų | 24 | 32.4 Ų | 32.4 | 12% | 0.123 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -70.1 | -49.1 | 179.8 | -57.5 | -57.1 | 0 | 0 | 0 | 110.2 | H115 S117 M122 V123 Y124 W197 | H115-I120 HydrophobicContact CB-CG2 4.29Å; H115-I120 VanDerWaalsContact ND1-CG2 3.26Å; H115-I120 WeakPolarHBondContact ND1-CG2 3.42Å; S117-I120 PolarHBondContact OG-N 3.27Å; I120-M122 PolarHBondContact O-N 3.33Å; I120-M122 VanDerWaalsContact O-N 3.13Å; I120-V123 PolarHBondContact O-N 3.35Å; I120-Y124 HydrophobicContact CB-CD2 4.34Å; I120-Y124 HydrophobicContact CD1-CE2 4.31Å; I120-Y124 HydrophobicContact CG2-CD2 3.44Å; I120-Y124 VanDerWaalsContact CG2-CD2 3.44Å; I120-Y124 HydrophobicContact CG2-CE2 4Å; I120-Y124 HydrophobicContact CG2-CG 4.31Å; I120-Y124 VanDerWaalsContact O-CD2 3.29Å; I120-Y124 WeakPolarHBondContact O-CD2 3.34Å; I120-Y124 PolarHBondContact O-N 3.22Å; I120-W197 HydrophobicContact CD1-CH2 3.98Å; I120-W197 HydrophobicContact CD1-CZ2 3.77Å; I120-W197 HydrophobicContact CG1-CZ2 4.12Å |
| 121 | T | 98.4 | Very high | 97.8 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -64.7 | -21.9 | -178 | 53.6 | 0 | 0 | 0 | 0 | 115 | V84 D85 H115 S117 R118 V123 F126 Y127 W140 F147 | V84-T121 HydrophobicContact CG2-CG2 3.73Å; D85-T121 WeakPolarHBondContact OD2-CA 3.12Å; H115-T121 WeakPolarHBondContact O-CG2 3.47Å; S117-T121 WeakPolarHBondContact O-CB 3.45Å; S117-T121 VanDerWaalsContact O-CG2 3.24Å; S117-T121 WeakPolarHBondContact O-CG2 3.46Å; S117-T121 PolarHBondContact O-N 3.45Å; S117-T121 PolarHBondContact O-OG1 3.27Å; R118-T121 PolarHBondContact O-OG1 2.85Å; T121-V123 PolarHBondContact O-N 2.84Å; T121-F126 HydrophobicContact CG2-CB 3.87Å; T121-F126 HydrophobicContact CG2-CD1 3.69Å; T121-F126 HydrophobicContact CG2-CG 4.2Å; T121-Y127 WeakPolarHBondContact O-CB 3.41Å; T121-Y127 PolarHBondContact O-N 3.02Å; T121-W140 PolarHBondContact OG1-NE1 2.75Å; T121-F147 HydrophobicContact CG2-CE2 4.2Å |
| 122 | M | 96.6 | Very high | 97.7 | Very high | 110 Ų | 110 | 42.6 Ų | 42.6 | 54% | 0.542 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -68.4 | -21.4 | 172.2 | -79.9 | -175.1 | 81.6 | 0 | 0 | 113.2 | R118 I120 Y127 W140 | R118-M122 VanDerWaalsContact O-CG 3.25Å; R118-M122 WeakPolarHBondContact O-CG 3.41Å; R118-M122 PolarHBondContact O-N 3.45Å; I120-M122 PolarHBondContact O-N 3.33Å; I120-M122 VanDerWaalsContact O-N 3.13Å; M122-Y127 HydrophobicContact CG-CD2 4.34Å; M122-Y127 HydrophobicContact CG-CG 4.46Å; M122-W140 HydrophobicContact CG-CH2 4.31Å; M122-W140 HydrophobicContact CG-CZ2 3.8Å; M122-W140 HydrophobicContact SD-CH2 4.34Å; M122-W140 HydrophobicContact SD-CZ2 4.36Å |
| 123 | V | 95.8 | Very high | 97.6 | Very high | 96 Ų | 96 | 44.4 Ų | 44.4 | 58% | 0.582 | 21% | 0.205 | S | C | * | . | H | α-helix | trans | -112.1 | -33 | -173.3 | -175.7 | 0 | 0 | 0 | 0 | 112.1 | I120 T121 | I120-V123 PolarHBondContact O-N 3.35Å; T121-V123 PolarHBondContact O-N 2.84Å |
| 124 | Y | 96.3 | Very high | 97.6 | Very high | 73 Ų | 73 | 46.3 Ų | 46.3 | 29% | 0.286 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -102.2 | 10.8 | -168.2 | -67.8 | -76.7 | 0 | 0 | 0 | 115.3 | D85 R86 H115 I120 | D85-Y124 WeakPolarHBondContact CB-O 3.45Å; D85-Y124 VanDerWaalsContact CG-CB 3.49Å; R86-Y124 VanDerWaalsContact CZ-CE1 3.4Å; R86-Y124 PolarHBondContact N-O 2.92Å; R86-Y124 VanDerWaalsContact NH1-CE1 3.32Å; R86-Y124 VanDerWaalsContact NH2-CD1 3.29Å; H115-Y124 AromaticContact CE1-CG 3.91Å; I120-Y124 HydrophobicContact CB-CD2 4.34Å; I120-Y124 HydrophobicContact CD1-CE2 4.31Å; I120-Y124 HydrophobicContact CG2-CD2 3.44Å; I120-Y124 VanDerWaalsContact CG2-CD2 3.44Å; I120-Y124 HydrophobicContact CG2-CE2 4Å; I120-Y124 HydrophobicContact CG2-CG 4.31Å; I120-Y124 VanDerWaalsContact O-CD2 3.29Å; I120-Y124 WeakPolarHBondContact O-CD2 3.34Å; I120-Y124 PolarHBondContact O-N 3.22Å |
| 125 | G | 95.5 | Very high | 97.5 | Very high | 6 Ų | 6 | 49.3 Ų | 49.3 | 6% | 0.062 | 24% | 0.244 | C | C | . | . | S | Bend | trans | 121 | -26.5 | 160.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | D85 Y127 E128 E129 | D85-G125 PolarHBondContact OD1-N 2.83Å; G125-Y127 PolarHBondContact O-N 2.81Å; G125-E128 PolarHBondContact O-N 2.88Å; G125-E129 WeakPolarHBondContact O-CB 3.42Å; G125-E129 PolarHBondContact O-N 2.92Å |
| 126 | F | 98.1 | Very high | 97.4 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -64.7 | -38.7 | -173.5 | -179.3 | -124.5 | 0 | 0 | 0 | 113.3 | V84 D85 S90 V91 T121 E129 C130 W140 C143 F147 | V84-F126 HydrophobicContact CB-CB 4.14Å; V84-F126 HydrophobicContact CB-CD1 4.32Å; V84-F126 HydrophobicContact CB-CD2 4.04Å; V84-F126 HydrophobicContact CB-CE2 4.48Å; V84-F126 HydrophobicContact CB-CG 3.92Å; V84-F126 HydrophobicContact CG1-CD1 4.32Å; V84-F126 HydrophobicContact CG1-CD2 3.98Å; V84-F126 HydrophobicContact CG1-CE1 4.29Å; V84-F126 HydrophobicContact CG1-CE2 3.91Å; V84-F126 HydrophobicContact CG1-CG 4.16Å; V84-F126 HydrophobicContact CG1-CZ 4.07Å; V84-F126 HydrophobicContact CG2-CB 4.35Å; V84-F126 HydrophobicContact CG2-CD1 4.32Å; V84-F126 HydrophobicContact CG2-CG 4.29Å; D85-F126 WeakPolarHBondContact OD1-CB 3.37Å; D85-F126 PolarHBondContact OD1-N 3.41Å; S90-F126 VanDerWaalsContact CB-CD2 3.49Å; V91-F126 HydrophobicContact CB-CE2 4.42Å; V91-F126 HydrophobicContact CG2-CD2 4.2Å; V91-F126 HydrophobicContact CG2-CE2 3.67Å; T121-F126 HydrophobicContact CG2-CB 3.87Å; T121-F126 HydrophobicContact CG2-CD1 3.69Å; T121-F126 HydrophobicContact CG2-CG 4.2Å; F126-E129 PolarHBondContact O-N 3.44Å; F126-C130 PolarHBondContact O-N 3.41Å; F126-C130 PolarHBondContact O-SG 3.13Å; F126-W140 AromaticContact CD1-CD1 3.69Å; F126-C143 HydrophobicContact CE1-CB 3.83Å; F126-C143 HydrophobicContact CZ-CB 3.77Å; F126-F147 HydrophobicContact CD1-CE2 4.4Å; F126-F147 HydrophobicContact CD1-CZ 4.35Å; F126-F147 HydrophobicContact CE1-CE2 4.09Å; F126-F147 AromaticContact CE1-CZ 3.76Å; F126-F147 HydrophobicContact CE1-CZ 3.76Å; F126-F147 HydrophobicContact CZ-CZ 4.36Å |
| 127 | Y | 98.3 | Very high | 97.3 | Very high | 68 Ų | 68 | 51.3 Ų | 51.3 | 27% | 0.267 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -59 | -50.2 | 174.7 | 178.4 | -91.9 | 0 | 0 | 0 | 111.9 | T121 M122 G125 E129 C130 L131 A137 W140 | T121-Y127 WeakPolarHBondContact O-CB 3.41Å; T121-Y127 PolarHBondContact O-N 3.02Å; M122-Y127 HydrophobicContact CG-CD2 4.34Å; M122-Y127 HydrophobicContact CG-CG 4.46Å; G125-Y127 PolarHBondContact O-N 2.81Å; Y127-E129 VanDerWaalsContact C-N 3.31Å; Y127-E129 PolarHBondContact O-N 2.83Å; Y127-C130 PolarHBondContact O-N 3.04Å; Y127-L131 HydrophobicContact CE1-CD2 4.5Å; Y127-L131 PolarHBondContact O-N 3.03Å; Y127-A137 HydrophobicContact CE2-CB 3.92Å; Y127-W140 HydrophobicContact CD2-CB 4.41Å; Y127-W140 AromaticContact CD2-CD2 3.5Å; Y127-W140 HydrophobicContact CD2-CD2 3.5Å; Y127-W140 VanDerWaalsContact CD2-CD2 3.5Å; Y127-W140 AromaticContact CD2-CE2 3.7Å; Y127-W140 AromaticContact CD2-CE3 3.83Å; Y127-W140 HydrophobicContact CD2-CE3 3.83Å; Y127-W140 AromaticContact CD2-CG 3.74Å; Y127-W140 HydrophobicContact CD2-CG 3.74Å; Y127-W140 HydrophobicContact CD2-CH2 4.48Å; Y127-W140 HydrophobicContact CD2-CZ2 4.19Å; Y127-W140 HydrophobicContact CD2-CZ3 4.31Å; Y127-W140 HydrophobicContact CE2-CD2 4.06Å; Y127-W140 AromaticContact CE2-CE3 3.9Å; Y127-W140 HydrophobicContact CE2-CE3 3.9Å; Y127-W140 HydrophobicContact CE2-CZ3 4.23Å |
| 128 | E | 96.8 | Very high | 97.3 | Very high | 127 Ų | 127 | 54.1 Ų | 54.1 | 59% | 0.593 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -65.7 | -36.4 | 179 | -64.7 | -165.9 | 160.8 | 0 | 0 | 111.8 | G125 L131 R132 | G125-E128 PolarHBondContact O-N 2.88Å; E128-L131 PolarHBondContact O-N 2.96Å; E128-R132 VanDerWaalsContact O-CB 3.24Å; E128-R132 WeakPolarHBondContact O-CB 3.17Å; E128-R132 PolarHBondContact O-N 2.89Å |
| 129 | E | 97.2 | Very high | 97.3 | Very high | 8 Ų | 8 | 51 Ų | 51 | 4% | 0.037 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -60.2 | -49.1 | 175.1 | -168.9 | -171.9 | 143.1 | 0 | 0 | 111.2 | S90 V91 G125 F126 Y127 R132 K133 | S90-E129 WeakPolarHBondContact CB-OE2 3.42Å; S90-E129 VanDerWaalsContact N-CD 3.35Å; S90-E129 PolarHBondContact N-OE1 2.8Å; S90-E129 PolarHBondContact N-OE2 2.89Å; S90-E129 PolarHBondContact OG-OE2 2.85Å; V91-E129 WeakPolarHBondContact CB-OE1 3.22Å; V91-E129 HydrophobicContact CG2-CG 4.06Å; V91-E129 WeakPolarHBondContact CG2-OE1 3.28Å; V91-E129 PolarHBondContact N-OE1 3.43Å; G125-E129 WeakPolarHBondContact O-CB 3.42Å; G125-E129 PolarHBondContact O-N 2.92Å; F126-E129 PolarHBondContact O-N 3.44Å; Y127-E129 VanDerWaalsContact C-N 3.31Å; Y127-E129 PolarHBondContact O-N 2.83Å; E129-R132 PolarHBondContact O-N 3.31Å; E129-K133 HydrophobicContact CG-CD 3.88Å; E129-K133 HydrophobicContact CG-CG 4.43Å; E129-K133 VanDerWaalsContact O-CB 3.31Å; E129-K133 WeakPolarHBondContact O-CB 3.36Å; E129-K133 WeakPolarHBondContact O-CG 3.43Å; E129-K133 PolarHBondContact O-N 3.37Å; E129-K133 WeakPolarHBondContact OE1-CE 3.3Å; E129-K133 IonicContact OE1-NZ 2.96Å; E129-K133 PolarHBondContact OE1-NZ 3.48Å |
| 130 | C | 98.2 | Very high | 97.3 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -59.8 | -48.4 | 177.5 | -69.7 | 0 | 0 | 0 | 0 | 111.2 | V91 F126 Y127 R132 K133 Y134 W140 | V91-C130 VanDerWaalsContact CG2-SG 3.58Å; F126-C130 PolarHBondContact O-N 3.41Å; F126-C130 PolarHBondContact O-SG 3.13Å; Y127-C130 PolarHBondContact O-N 3.04Å; C130-R132 VanDerWaalsContact C-N 3.32Å; C130-R132 PolarHBondContact O-N 2.94Å; C130-K133 PolarHBondContact O-N 3.33Å; C130-Y134 PolarHBondContact O-N 2.92Å; C130-W140 HydrophobicContact CB-CB 3.77Å |
| 131 | L | 97.5 | Very high | 97.3 | Very high | 77 Ų | 77 | 53.5 Ų | 53.5 | 40% | 0.403 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -60 | -43.1 | 179.8 | -175.7 | 64.5 | 0 | 0 | 0 | 111.6 | Y127 E128 G135 | Y127-L131 HydrophobicContact CE1-CD2 4.5Å; Y127-L131 PolarHBondContact O-N 3.03Å; E128-L131 PolarHBondContact O-N 2.96Å; L131-G135 WeakPolarHBondContact O-CA 3.25Å; L131-G135 PolarHBondContact O-N 2.87Å |
| 132 | R | 96.9 | Very high | 97.4 | Very high | 138 Ų | 138 | 54.4 Ų | 54.4 | 52% | 0.521 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -67.3 | -40.4 | 178.5 | 178.5 | -179.1 | 58.6 | 82.1 | -6.7 | 112.5 | E128 E129 C130 | E128-R132 VanDerWaalsContact O-CB 3.24Å; E128-R132 WeakPolarHBondContact O-CB 3.17Å; E128-R132 PolarHBondContact O-N 2.89Å; E129-R132 PolarHBondContact O-N 3.31Å; C130-R132 VanDerWaalsContact C-N 3.32Å; C130-R132 PolarHBondContact O-N 2.94Å |
| 133 | K | 97.3 | Very high | 97.5 | Very high | 38 Ų | 38 | 49.1 Ų | 49.1 | 17% | 0.165 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -81.1 | -35.2 | -173.6 | -75.5 | -174.5 | -178.4 | 176.7 | 0 | 113.2 | L19 Y88 V91 E92 E129 C130 | L19-K133 HydrophobicContact CD1-CB 3.72Å; L19-K133 HydrophobicContact CD1-CD 4.15Å; L19-K133 HydrophobicContact CD1-CG 4.13Å; L19-K133 HydrophobicContact CD2-CD 4.03Å; Y88-K133 PolarHBondContact O-NZ 2.8Å; V91-K133 HydrophobicContact CB-CD 4.36Å; V91-K133 HydrophobicContact CG2-CD 4.36Å; E92-K133 IonicContact OE1-NZ 3.82Å; E92-K133 PolarHBondContact OE1-NZ 2.96Å; E92-K133 IonicContact OE2-NZ 3.39Å; E92-K133 PolarHBondContact OE2-NZ 2.84Å; E129-K133 HydrophobicContact CG-CD 3.88Å; E129-K133 HydrophobicContact CG-CG 4.43Å; E129-K133 VanDerWaalsContact O-CB 3.31Å; E129-K133 WeakPolarHBondContact O-CB 3.36Å; E129-K133 WeakPolarHBondContact O-CG 3.43Å; E129-K133 PolarHBondContact O-N 3.37Å; E129-K133 WeakPolarHBondContact OE1-CE 3.3Å; E129-K133 IonicContact OE1-NZ 2.96Å; E129-K133 PolarHBondContact OE1-NZ 3.48Å; C130-K133 PolarHBondContact O-N 3.33Å |
| 134 | Y | 97.9 | Very high | 97.6 | Very high | 41 Ų | 41 | 44.6 Ų | 44.6 | 16% | 0.161 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -109.5 | -10.4 | -176.3 | -72.5 | -92.9 | 0 | 0 | 0 | 114 | L19 I20 E22 V25 V91 C130 S136 V139 | L19-Y134 HydrophobicContact CD1-CE2 4.2Å; L19-Y134 HydrophobicContact CD2-CE2 4.05Å; I20-Y134 WeakPolarHBondContact O-CE1 3.11Å; I20-Y134 PolarHBondContact O-OH 2.8Å; E22-Y134 HydrophobicContact CB-CD1 4.33Å; V25-Y134 HydrophobicContact CG2-CE1 4.32Å; V91-Y134 HydrophobicContact CG1-CE2 3.72Å; C130-Y134 PolarHBondContact O-N 2.92Å; Y134-S136 PolarHBondContact O-N 2.59Å; Y134-V139 HydrophobicContact CD1-CG2 3.5Å; Y134-V139 HydrophobicContact CD2-CB 4.08Å; Y134-V139 HydrophobicContact CD2-CG1 4.16Å; Y134-V139 HydrophobicContact CD2-CG2 3.83Å; Y134-V139 HydrophobicContact CE1-CG2 3.72Å; Y134-V139 HydrophobicContact CE2-CB 4.41Å; Y134-V139 HydrophobicContact CE2-CG1 4.08Å; Y134-V139 HydrophobicContact CE2-CG2 4.08Å; Y134-V139 HydrophobicContact CG-CB 4.18Å; Y134-V139 HydrophobicContact CG-CG2 3.54Å |
| 135 | G | 97.1 | Very high | 97.7 | Very high | 66 Ų | 66 | 44.8 Ų | 44.8 | 68% | 0.68 | 22% | 0.221 | S | C | * | . | S | Bend | trans | 73.5 | 3.9 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114 | L131 | L131-G135 WeakPolarHBondContact O-CA 3.25Å; L131-G135 PolarHBondContact O-N 2.87Å |
| 136 | S | 95.9 | Very high | 97.9 | Very high | 35 Ų | 35 | 44.5 Ų | 44.5 | 25% | 0.245 | 22% | 0.218 | C | C | . | . | S | Bend | trans | -147.7 | 160.1 | -178.8 | 95.9 | 0 | 0 | 0 | 0 | 110.6 | E22 Y134 M138 | E22-S136 PolarHBondContact OE2-OG 3.49Å; Y134-S136 PolarHBondContact O-N 2.59Å; S136-M138 PolarHBondContact O-N 2.9Å; S136-M138 VanDerWaalsContact OG-CB 3.27Å; S136-M138 WeakPolarHBondContact OG-CB 3.46Å; S136-M138 PolarHBondContact OG-N 3.28Å; S136-M138 VanDerWaalsContact OG-N 3.07Å |
| 137 | A | 96.6 | Very high | 97.9 | Very high | 15 Ų | 15 | 44.5 Ų | 44.5 | 12% | 0.124 | 22% | 0.218 | C | C | . | . | S | Bend | trans | -84.1 | 8.7 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y127 W140 R141 | Y127-A137 HydrophobicContact CE2-CB 3.92Å; A137-W140 PolarHBondContact O-N 3.11Å; A137-R141 WeakPolarHBondContact O-CG 3.34Å; A137-R141 PolarHBondContact O-N 3.48Å; A137-R141 VanDerWaalsContact O-N 3.08Å |
| 138 | M | 98.2 | Very high | 97.9 | Very high | 64 Ų | 64 | 42 Ų | 42 | 32% | 0.315 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -67.2 | -44.9 | -173.7 | -171 | 63.2 | 71.6 | 0 | 0 | 112 | E22 S136 W140 R141 Q142 | E22-M138 HydrophobicContact CG-CB 4.25Å; E22-M138 HydrophobicContact CG-CG 4.18Å; E22-M138 WeakPolarHBondContact OE1-CB 3.33Å; E22-M138 VanDerWaalsContact OE1-CG 3.27Å; E22-M138 WeakPolarHBondContact OE1-CG 3.24Å; S136-M138 PolarHBondContact O-N 2.9Å; S136-M138 VanDerWaalsContact OG-CB 3.27Å; S136-M138 WeakPolarHBondContact OG-CB 3.46Å; S136-M138 PolarHBondContact OG-N 3.28Å; S136-M138 VanDerWaalsContact OG-N 3.07Å; M138-W140 VanDerWaalsContact C-N 3.32Å; M138-W140 PolarHBondContact O-N 2.87Å; M138-R141 WeakPolarHBondContact O-CB 3.4Å; M138-R141 PolarHBondContact O-N 2.73Å; M138-R141 VanDerWaalsContact O-N 3.15Å; M138-Q142 WeakPolarHBondContact O-CG 3.26Å; M138-Q142 PolarHBondContact O-N 3.2Å |
| 139 | V | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -60.3 | -42.5 | 176.7 | 167.8 | 0 | 0 | 0 | 0 | 111.3 | E22 V25 V91 Y134 R141 Q142 C143 | E22-V139 HydrophobicContact CG-CG2 4.15Å; V25-V139 HydrophobicContact CB-CG2 4.32Å; V25-V139 HydrophobicContact CG1-CG1 4.21Å; V25-V139 HydrophobicContact CG1-CG2 4.3Å; V25-V139 HydrophobicContact CG2-CG2 4.19Å; V91-V139 HydrophobicContact CG1-CG1 4.39Å; Y134-V139 HydrophobicContact CD1-CG2 3.5Å; Y134-V139 HydrophobicContact CD2-CB 4.08Å; Y134-V139 HydrophobicContact CD2-CG1 4.16Å; Y134-V139 HydrophobicContact CD2-CG2 3.83Å; Y134-V139 HydrophobicContact CE1-CG2 3.72Å; Y134-V139 HydrophobicContact CE2-CB 4.41Å; Y134-V139 HydrophobicContact CE2-CG1 4.08Å; Y134-V139 HydrophobicContact CE2-CG2 4.08Å; Y134-V139 HydrophobicContact CG-CB 4.18Å; Y134-V139 HydrophobicContact CG-CG2 3.54Å; V139-R141 VanDerWaalsContact C-N 3.34Å; V139-R141 PolarHBondContact O-N 2.99Å; V139-Q142 PolarHBondContact O-N 2.86Å; V139-C143 PolarHBondContact O-N 2.9Å; V139-C143 PolarHBondContact O-SG 3.05Å; V139-C143 VanDerWaalsContact O-SG 3.33Å |
| 140 | W | 98.7 | Very high | 98.1 | Very high | 27 Ų | 27 | 37.6 Ų | 37.6 | 10% | 0.102 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -59.5 | -44.1 | 174.7 | 172.6 | 82 | 0 | 0 | 0 | 112 | R118 T121 M122 F126 Y127 C130 A137 M138 Q142 C143 T144 | R118-W140 HydrophobicContact CB-CH2 4.23Å; R118-W140 HydrophobicContact CB-CZ2 3.87Å; R118-W140 HydrophobicContact CG-CH2 4.18Å; R118-W140 HydrophobicContact CG-CZ2 3.98Å; T121-W140 PolarHBondContact OG1-NE1 2.75Å; M122-W140 HydrophobicContact CG-CH2 4.31Å; M122-W140 HydrophobicContact CG-CZ2 3.8Å; M122-W140 HydrophobicContact SD-CH2 4.34Å; M122-W140 HydrophobicContact SD-CZ2 4.36Å; F126-W140 AromaticContact CD1-CD1 3.69Å; Y127-W140 HydrophobicContact CD2-CB 4.41Å; Y127-W140 AromaticContact CD2-CD2 3.5Å; Y127-W140 HydrophobicContact CD2-CD2 3.5Å; Y127-W140 VanDerWaalsContact CD2-CD2 3.5Å; Y127-W140 AromaticContact CD2-CE2 3.7Å; Y127-W140 AromaticContact CD2-CE3 3.83Å; Y127-W140 HydrophobicContact CD2-CE3 3.83Å; Y127-W140 AromaticContact CD2-CG 3.74Å; Y127-W140 HydrophobicContact CD2-CG 3.74Å; Y127-W140 HydrophobicContact CD2-CH2 4.48Å; Y127-W140 HydrophobicContact CD2-CZ2 4.19Å; Y127-W140 HydrophobicContact CD2-CZ3 4.31Å; Y127-W140 HydrophobicContact CE2-CD2 4.06Å; Y127-W140 AromaticContact CE2-CE3 3.9Å; Y127-W140 HydrophobicContact CE2-CE3 3.9Å; Y127-W140 HydrophobicContact CE2-CZ3 4.23Å; C130-W140 HydrophobicContact CB-CB 3.77Å; A137-W140 PolarHBondContact O-N 3.11Å; M138-W140 VanDerWaalsContact C-N 3.32Å; M138-W140 PolarHBondContact O-N 2.87Å; W140-Q142 VanDerWaalsContact C-N 3.34Å; W140-Q142 PolarHBondContact O-N 3.46Å; W140-C143 PolarHBondContact O-N 2.94Å; W140-T144 HydrophobicContact CD2-CG2 4.23Å; W140-T144 HydrophobicContact CG-CG2 4.41Å; W140-T144 HydrophobicContact CZ2-CG2 4.14Å; W140-T144 WeakPolarHBondContact O-CB 3.13Å; W140-T144 WeakPolarHBondContact O-CG2 3.49Å; W140-T144 PolarHBondContact O-N 3.3Å; W140-T144 PolarHBondContact O-OG1 2.87Å |
| 141 | R | 98.5 | Very high | 98.1 | Very high | 135 Ų | 135 | 37.6 Ų | 37.6 | 51% | 0.509 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -62 | -42 | 176.2 | -71.9 | -174.4 | -127.9 | 148.1 | -0.6 | 112.1 | A137 M138 V139 T144 E145 | A137-R141 WeakPolarHBondContact O-CG 3.34Å; A137-R141 PolarHBondContact O-N 3.48Å; A137-R141 VanDerWaalsContact O-N 3.08Å; M138-R141 WeakPolarHBondContact O-CB 3.4Å; M138-R141 PolarHBondContact O-N 2.73Å; M138-R141 VanDerWaalsContact O-N 3.15Å; V139-R141 VanDerWaalsContact C-N 3.34Å; V139-R141 PolarHBondContact O-N 2.99Å; R141-T144 WeakPolarHBondContact CA-OG1 3.35Å; R141-T144 PolarHBondContact O-OG1 2.86Å; R141-E145 WeakPolarHBondContact O-CB 3.29Å; R141-E145 PolarHBondContact O-N 3.17Å |
| 142 | Q | 98.5 | Very high | 98.2 | Very high | 18 Ų | 18 | 34 Ų | 34 | 8% | 0.084 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -64.6 | -47.9 | 178.7 | -70.6 | 169.4 | -5 | 0 | 0 | 111.3 | V25 K26 M138 V139 W140 E145 I146 | V25-Q142 HydrophobicContact CG1-CB 4.44Å; V25-Q142 VanDerWaalsContact CG1-OE1 3.26Å; K26-Q142 VanDerWaalsContact CB-NE2 3.33Å; M138-Q142 WeakPolarHBondContact O-CG 3.26Å; M138-Q142 PolarHBondContact O-N 3.2Å; V139-Q142 PolarHBondContact O-N 2.86Å; W140-Q142 VanDerWaalsContact C-N 3.34Å; W140-Q142 PolarHBondContact O-N 3.46Å; Q142-E145 PolarHBondContact O-N 2.99Å; Q142-I146 WeakPolarHBondContact O-CG1 3.48Å; Q142-I146 PolarHBondContact O-N 3.22Å |
| 143 | C | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -63.6 | -44.2 | 177.8 | -65.3 | 0 | 0 | 0 | 0 | 112 | F94 F126 V139 W140 E145 I146 F147 | F94-C143 HydrophobicContact CD1-CB 3.96Å; F94-C143 HydrophobicContact CE1-CB 3.8Å; F126-C143 HydrophobicContact CE1-CB 3.83Å; F126-C143 HydrophobicContact CZ-CB 3.77Å; V139-C143 PolarHBondContact O-N 2.9Å; V139-C143 PolarHBondContact O-SG 3.05Å; V139-C143 VanDerWaalsContact O-SG 3.33Å; W140-C143 PolarHBondContact O-N 2.94Å; C143-E145 VanDerWaalsContact C-N 3.32Å; C143-E145 PolarHBondContact O-N 3.09Å; C143-I146 WeakPolarHBondContact O-CA 3.25Å; C143-I146 WeakPolarHBondContact O-CB 3.36Å; C143-I146 PolarHBondContact O-N 2.83Å; C143-F147 HydrophobicContact CB-CE1 4.33Å; C143-F147 HydrophobicContact CB-CZ 4.19Å; C143-F147 WeakPolarHBondContact O-CD1 3.31Å; C143-F147 WeakPolarHBondContact O-CG 3.31Å; C143-F147 PolarHBondContact O-N 2.81Å |
| 144 | T | 98.7 | Very high | 98.3 | Very high | 1 Ų | 1 | 25.6 Ų | 25.6 | 1% | 0.006 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -68.6 | -27.5 | 178.9 | 52.4 | 0 | 0 | 0 | 0 | 113.8 | R118 W140 R141 I146 F147 | R118-T144 HydrophobicContact CG-CG2 3.87Å; R118-T144 PolarHBondContact NH2-O 2.83Å; W140-T144 HydrophobicContact CD2-CG2 4.23Å; W140-T144 HydrophobicContact CG-CG2 4.41Å; W140-T144 HydrophobicContact CZ2-CG2 4.14Å; W140-T144 WeakPolarHBondContact O-CB 3.13Å; W140-T144 WeakPolarHBondContact O-CG2 3.49Å; W140-T144 PolarHBondContact O-N 3.3Å; W140-T144 PolarHBondContact O-OG1 2.87Å; R141-T144 WeakPolarHBondContact CA-OG1 3.35Å; R141-T144 PolarHBondContact O-OG1 2.86Å; T144-I146 VanDerWaalsContact C-N 3.34Å; T144-F147 HydrophobicContact CG2-CD2 3.77Å; T144-F147 HydrophobicContact CG2-CE2 3.71Å; T144-F147 PolarHBondContact O-N 3.05Å |
| 145 | E | 98.5 | Very high | 98.4 | Very high | 76 Ų | 76 | 24 Ų | 24 | 36% | 0.355 | 13% | 0.129 | S | C | . | . | H | α-helix | trans | -63.9 | -40.9 | 167.5 | -171 | -176.1 | 149.5 | 0 | 0 | 111 | R33 R141 Q142 C143 F147 D148 Y149 | R33-E145 IonicContact CZ-OE1 2.68Å; R33-E145 IonicContact NH1-OE1 3.44Å; R33-E145 PolarHBondContact NH1-OE1 3.26Å; R141-E145 WeakPolarHBondContact O-CB 3.29Å; R141-E145 PolarHBondContact O-N 3.17Å; Q142-E145 PolarHBondContact O-N 2.99Å; C143-E145 VanDerWaalsContact C-N 3.32Å; C143-E145 PolarHBondContact O-N 3.09Å; E145-F147 VanDerWaalsContact C-N 3.34Å; E145-F147 PolarHBondContact O-N 2.91Å; E145-D148 PolarHBondContact O-N 2.83Å; E145-Y149 HydrophobicContact CG-CE2 4.43Å; E145-Y149 WeakPolarHBondContact O-CD2 3.16Å; E145-Y149 WeakPolarHBondContact O-CE2 3.26Å |
| 146 | I | 98.8 | Very high | 98.5 | Very high | 1 Ų | 1 | 20.8 Ų | 20.8 | 1% | 0.005 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -66.9 | -34.6 | 176.7 | -63.4 | -55 | 0 | 0 | 0 | 112.7 | C29 A32 R33 L36 F94 L98 Q142 C143 T144 D148 Y149 L150 | C29-I146 HydrophobicContact CB-CD1 3.84Å; C29-I146 HydrophobicContact CB-CG1 3.65Å; C29-I146 WeakPolarHBondContact O-CD1 3.48Å; A32-I146 HydrophobicContact CB-CD1 4.41Å; R33-I146 HydrophobicContact CB-CD1 3.87Å; L36-I146 HydrophobicContact CD1-CG2 3.75Å; F94-I146 HydrophobicContact CZ-CB 4.43Å; F94-I146 HydrophobicContact CZ-CG2 3.96Å; L98-I146 HydrophobicContact CD1-CG2 3.82Å; L98-I146 HydrophobicContact CD2-CG2 4.29Å; Q142-I146 WeakPolarHBondContact O-CG1 3.48Å; Q142-I146 PolarHBondContact O-N 3.22Å; C143-I146 WeakPolarHBondContact O-CA 3.25Å; C143-I146 WeakPolarHBondContact O-CB 3.36Å; C143-I146 PolarHBondContact O-N 2.83Å; T144-I146 VanDerWaalsContact C-N 3.34Å; I146-D148 PolarHBondContact O-N 3Å; I146-D148 VanDerWaalsContact O-N 3.15Å; I146-Y149 PolarHBondContact O-N 2.91Å; I146-L150 PolarHBondContact O-N 2.85Å |
| 147 | F | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -54.8 | -34.1 | 176.5 | -63.2 | -14.6 | 0 | 0 | 0 | 112.6 | V84 F94 R112 E116 T121 F126 C143 T144 E145 Y149 L150 | V84-F147 HydrophobicContact CG1-CZ 4.03Å; V84-F147 HydrophobicContact CG2-CE2 4.44Å; V84-F147 HydrophobicContact CG2-CZ 4.2Å; F94-F147 AromaticContact CD1-CE1 3.89Å; F94-F147 HydrophobicContact CD1-CE1 3.89Å; F94-F147 HydrophobicContact CD1-CZ 4.48Å; F94-F147 AromaticContact CD2-CE1 3.93Å; F94-F147 HydrophobicContact CD2-CE1 3.93Å; F94-F147 HydrophobicContact CE1-CD1 4.18Å; F94-F147 AromaticContact CE1-CE1 3.53Å; F94-F147 HydrophobicContact CE1-CE1 3.53Å; F94-F147 HydrophobicContact CE1-CZ 4.42Å; F94-F147 HydrophobicContact CE2-CD1 4.03Å; F94-F147 AromaticContact CE2-CE1 3.58Å; F94-F147 HydrophobicContact CE2-CE1 3.58Å; F94-F147 HydrophobicContact CG-CE1 4.09Å; F94-F147 AromaticContact CZ-CD1 3.69Å; F94-F147 HydrophobicContact CZ-CD1 3.69Å; F94-F147 AromaticContact CZ-CE1 3.37Å; F94-F147 HydrophobicContact CZ-CE1 3.37Å; R112-F147 WeakPolarHBondContact CD-O 3.38Å; R112-F147 VanDerWaalsContact CZ-O 3.27Å; R112-F147 PolarHBondContact NE-O 3.12Å; E116-F147 VanDerWaalsContact C-CD2 3.4Å; E116-F147 VanDerWaalsContact CA-CD2 3.49Å; E116-F147 HydrophobicContact CB-CB 3.91Å; E116-F147 HydrophobicContact CB-CD1 3.92Å; E116-F147 HydrophobicContact CB-CD2 3.8Å; E116-F147 HydrophobicContact CB-CE1 4.38Å; E116-F147 HydrophobicContact CB-CE2 4.3Å; E116-F147 HydrophobicContact CB-CG 3.61Å; E116-F147 HydrophobicContact CG-CD1 3.64Å; E116-F147 HydrophobicContact CG-CD2 4.17Å; E116-F147 HydrophobicContact CG-CE1 3.73Å; E116-F147 HydrophobicContact CG-CE2 4.27Å; E116-F147 HydrophobicContact CG-CG 3.89Å; E116-F147 HydrophobicContact CG-CZ 4.07Å; E116-F147 WeakPolarHBondContact O-CB 3.26Å; T121-F147 HydrophobicContact CG2-CE2 4.2Å; F126-F147 HydrophobicContact CD1-CE2 4.4Å; F126-F147 HydrophobicContact CD1-CZ 4.35Å; F126-F147 HydrophobicContact CE1-CE2 4.09Å; F126-F147 AromaticContact CE1-CZ 3.76Å; F126-F147 HydrophobicContact CE1-CZ 3.76Å; F126-F147 HydrophobicContact CZ-CZ 4.36Å; C143-F147 HydrophobicContact CB-CE1 4.33Å; C143-F147 HydrophobicContact CB-CZ 4.19Å; C143-F147 WeakPolarHBondContact O-CD1 3.31Å; C143-F147 WeakPolarHBondContact O-CG 3.31Å; C143-F147 PolarHBondContact O-N 2.81Å; T144-F147 HydrophobicContact CG2-CD2 3.77Å; T144-F147 HydrophobicContact CG2-CE2 3.71Å; T144-F147 PolarHBondContact O-N 3.05Å; E145-F147 VanDerWaalsContact C-N 3.34Å; E145-F147 PolarHBondContact O-N 2.91Å; F147-Y149 PolarHBondContact O-N 3.18Å; F147-L150 HydrophobicContact CD1-CD1 4.17Å; F147-L150 PolarHBondContact O-N 2.74Å |
| 148 | D | 98.8 | Very high | 98.6 | Very high | 15 Ų | 15 | 23.4 Ų | 23.4 | 8% | 0.08 | 12% | 0.117 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -18.8 | 178.3 | -58.6 | -23.7 | 0 | 0 | 0 | 113.3 | R112 R118 E145 I146 R182 K183 Q184 | R112-D148 IonicContact CZ-OD1 2.84Å; R112-D148 IonicContact NH1-OD1 2.61Å; R112-D148 IonicContact NH2-OD1 3.99Å; R112-D148 PolarHBondContact NH2-OD1 3.03Å; R118-D148 IonicContact CZ-OD1 2.66Å; R118-D148 IonicContact CZ-OD2 3.18Å; R118-D148 VanDerWaalsContact CZ-OD2 3.28Å; R118-D148 IonicContact NH1-OD1 3.54Å; R118-D148 PolarHBondContact NH1-OD1 2.71Å; R118-D148 IonicContact NH1-OD2 3.03Å; R118-D148 PolarHBondContact NH1-OD2 2.99Å; R118-D148 IonicContact NH2-OD2 3.13Å; R118-D148 PolarHBondContact NH2-OD2 2.77Å; E145-D148 PolarHBondContact O-N 2.83Å; I146-D148 PolarHBondContact O-N 3Å; I146-D148 VanDerWaalsContact O-N 3.15Å; D148-R182 CarbonylContact O-C 3.12Å; D148-R182 VanDerWaalsContact O-O 3.05Å; D148-K183 WeakPolarHBondContact O-CA 3.3Å; D148-Q184 VanDerWaalsContact OD1-O 3.07Å |
| 149 | Y | 98.7 | Very high | 98.6 | Very high | 43 Ų | 43 | 26.2 Ų | 26.2 | 17% | 0.169 | 12% | 0.124 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.9 | -15.6 | -179.9 | -66.4 | -92.9 | 0 | 0 | 0 | 113.8 | R33 I37 E145 I146 F147 C151 R182 K183 | R33-Y149 HydrophobicContact CG-CD1 4.03Å; R33-Y149 HydrophobicContact CG-CD2 4.04Å; R33-Y149 HydrophobicContact CG-CE1 3.79Å; R33-Y149 HydrophobicContact CG-CE2 3.8Å; R33-Y149 HydrophobicContact CG-CG 4.16Å; I37-Y149 HydrophobicContact CB-CD1 4.12Å; I37-Y149 HydrophobicContact CB-CE1 4.35Å; I37-Y149 HydrophobicContact CD1-CE1 4.13Å; I37-Y149 HydrophobicContact CG1-CD1 4.26Å; I37-Y149 HydrophobicContact CG1-CE1 4.15Å; E145-Y149 HydrophobicContact CG-CE2 4.43Å; E145-Y149 WeakPolarHBondContact O-CD2 3.16Å; E145-Y149 WeakPolarHBondContact O-CE2 3.26Å; I146-Y149 PolarHBondContact O-N 2.91Å; F147-Y149 PolarHBondContact O-N 3.18Å; Y149-C151 PolarHBondContact O-N 3.13Å; Y149-R182 PolarHBondContact O-NE 2.9Å; Y149-R182 PolarHBondContact O-NH2 2.7Å; Y149-K183 HydrophobicContact CD1-CG 4.41Å; Y149-K183 HydrophobicContact CE1-CD 4.24Å; Y149-K183 HydrophobicContact CE1-CG 4.38Å |
| 150 | L | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 12% | 0.124 | C | C | . | . | S | Bend | trans | -58 | 135 | 177.5 | -66.7 | 174.1 | 0 | 0 | 0 | 110.8 | L36 F83 L110 R112 E116 I146 F147 R182 | L36-L150 HydrophobicContact CD1-CD2 4.12Å; L36-L150 HydrophobicContact CD2-CD2 4.4Å; F83-L150 HydrophobicContact CE2-CD1 3.96Å; L110-L150 HydrophobicContact CB-CD2 3.82Å; R112-L150 HydrophobicContact CB-CB 3.8Å; R112-L150 HydrophobicContact CB-CD1 4.35Å; R112-L150 HydrophobicContact CG-CB 4.24Å; R112-L150 HydrophobicContact CG-CD1 4.25Å; E116-L150 HydrophobicContact CB-CD1 4.21Å; E116-L150 HydrophobicContact CG-CD1 3.94Å; I146-L150 PolarHBondContact O-N 2.85Å; F147-L150 HydrophobicContact CD1-CD1 4.17Å; F147-L150 PolarHBondContact O-N 2.74Å; L150-R182 WeakPolarHBondContact O-CD 3.37Å; L150-R182 PolarHBondContact O-NE 2.97Å |
| 151 | C | 98.5 | Very high | 98.7 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 12% | 0.119 | C | C | . | . | B | Isolated β-bridge | trans | -62.8 | 152.1 | 177.1 | 52.9 | 0 | 0 | 0 | 0 | 111.2 | S40 Q43 L110 I111 R112 Y149 | S40-C151 WeakPolarHBondContact O-CB 3.41Å; Q43-C151 HydrophobicContact CB-CB 4.31Å; L110-C151 PolarHBondContact O-SG 3.26Å; L110-C151 VanDerWaalsContact O-SG 3.35Å; I111-C151 CarbonylContact C-O 3.51Å; I111-C151 VanDerWaalsContact CA-O 3.26Å; I111-C151 WeakPolarHBondContact CA-O 3.22Å; I111-C151 WeakPolarHBondContact CB-O 3.32Å; R112-C151 PolarHBondContact N-O 3.47Å; Y149-C151 PolarHBondContact O-N 3.13Å |
| 152 | L | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 10% | 0.095 | C | C | . | . | S | Bend | trans | -84.1 | -20.5 | -176 | -60.1 | -179 | 0 | 0 | 0 | 112.7 | N41 I177 I180 R182 M192 L195 | N41-L152 HydrophobicContact CB-CB 4.47Å; N41-L152 HydrophobicContact CB-CD1 4.41Å; N41-L152 HydrophobicContact CB-CG 4.44Å; N41-L152 PolarHBondContact O-N 3.05Å; L152-I177 HydrophobicContact CB-CG2 4.49Å; L152-I180 HydrophobicContact CD1-CB 4.05Å; L152-I180 HydrophobicContact CD1-CD1 3.99Å; L152-I180 HydrophobicContact CD1-CG2 3.76Å; L152-R182 HydrophobicContact CD1-CB 4.03Å; L152-R182 HydrophobicContact CD2-CB 4.05Å; L152-R182 HydrophobicContact CG-CB 3.98Å; L152-M192 HydrophobicContact CD1-CG 4.25Å; L152-M192 HydrophobicContact CD2-CE 3.87Å; L152-M192 HydrophobicContact CD2-CG 4.07Å; L152-M192 HydrophobicContact CD2-SD 4.34Å; L152-L195 HydrophobicContact CB-CD1 4.28Å; L152-L195 HydrophobicContact CD1-CD1 4.22Å |
| 153 | S | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 17.7 Ų | 17.7 | 0% | 0 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -164.9 | 169.2 | -174.9 | 62 | 0 | 0 | 0 | 0 | 110.7 | N41 V42 Q43 F161 C162 | N41-S153 PolarHBondContact O-N 3.42Å; N41-S153 VanDerWaalsContact O-O 3.09Å; N41-S153 PolarHBondContact O-OG 3.38Å; V42-S153 WeakPolarHBondContact CA-O 3.14Å; V42-S153 WeakPolarHBondContact CA-OG 3.3Å; V42-S153 WeakPolarHBondContact CG2-OG 3.31Å; Q43-S153 PolarHBondContact N-O 2.95Å; S153-F161 VanDerWaalsContact CB-CE2 3.5Å; S153-C162 CarbonylContact C-O 3.5Å; S153-C162 WeakPolarHBondContact CA-O 3.39Å; S153-C162 WeakPolarHBondContact CB-O 3.23Å |
| 154 | A | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 17.7 Ų | 17.7 | 0% | 0 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 163.7 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | Q43 V45 L78 I111 C162 | Q43-A154 HydrophobicContact CB-CB 4.44Å; Q43-A154 CarbonylContact O-C 3.5Å; Q43-A154 WeakPolarHBondContact O-CA 3.13Å; Q43-A154 WeakPolarHBondContact O-CB 3.24Å; V45-A154 HydrophobicContact CG2-CB 4.03Å; L78-A154 HydrophobicContact CD1-CB 3.8Å; L78-A154 HydrophobicContact CD2-CB 3.93Å; I111-A154 HydrophobicContact CG2-CB 4.26Å; A154-C162 HydrophobicContact CB-CB 4.09Å; A154-C162 PolarHBondContact N-O 3.49Å; A154-C162 PolarHBondContact O-N 3.04Å |
| 155 | I | 98.8 | Very high | 98.7 | Very high | 7 Ų | 7 | 17.6 Ų | 17.6 | 4% | 0.036 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 114.5 | 173.5 | -176.7 | 64.8 | 0 | 0 | 0 | 108.6 | V42 Q43 V45 G158 I160 F161 L174 I231 | V42-I155 HydrophobicContact CG1-CB 3.92Å; V42-I155 HydrophobicContact CG1-CG2 3.82Å; Q43-I155 PolarHBondContact O-N 3.34Å; V45-I155 PolarHBondContact N-O 3.38Å; I155-G158 VanDerWaalsContact CG1-CA 3.48Å; I155-I160 WeakPolarHBondContact CA-O 3.4Å; I155-I160 WeakPolarHBondContact CD1-O 2.82Å; I155-F161 HydrophobicContact CD1-CB 4.42Å; I155-L174 HydrophobicContact CD1-CD1 4.26Å; I155-L174 HydrophobicContact CG1-CD1 4.46Å; I155-I231 HydrophobicContact CD1-CD1 3.36Å |
| 156 | I | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 7% | 0.074 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 122.1 | -179.5 | -51.4 | 170.2 | 0 | 0 | 0 | 108.9 | V45 V49 V51 L78 G158 R159 I160 C162 L275 L279 | V45-I156 HydrophobicContact CB-CG1 4.29Å; V45-I156 HydrophobicContact CG1-CG1 4.47Å; V45-I156 CarbonylContact O-C 3.57Å; V45-I156 VanDerWaalsContact O-CA 3.22Å; V45-I156 WeakPolarHBondContact O-CA 3.31Å; V49-I156 HydrophobicContact CG1-CD1 3.87Å; V49-I156 HydrophobicContact CG1-CG1 4.36Å; V49-I156 HydrophobicContact CG1-CG2 3.84Å; V51-I156 HydrophobicContact CG2-CD1 3.68Å; L78-I156 HydrophobicContact CD2-CD1 3.95Å; L78-I156 HydrophobicContact CD2-CG1 4.14Å; I156-G158 PolarHBondContact O-N 3.16Å; I156-R159 PolarHBondContact O-N 3.45Å; I156-I160 HydrophobicContact CB-CB 4.16Å; I156-I160 PolarHBondContact N-O 3.15Å; I156-I160 PolarHBondContact O-N 2.8Å; I156-I160 VanDerWaalsContact O-N 3.1Å; I156-C162 VanDerWaalsContact CD1-SG 3.56Å; I156-L275 HydrophobicContact CD1-CD1 3.61Å; I156-L275 HydrophobicContact CG2-CD1 4.23Å; I156-L279 HydrophobicContact CG2-CD2 4.1Å |
| 157 | D | 98.3 | Very high | 98.7 | Very high | 57 Ų | 57 | 14.1 Ų | 14.1 | 31% | 0.305 | 7% | 0.074 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50.2 | 22.9 | -178.7 | -67.8 | -11.2 | 0 | 0 | 0 | 114.7 | V45 D46 S47 R159 L279 | V45-D157 PolarHBondContact O-N 2.95Å; D46-D157 WeakPolarHBondContact CA-OD1 3.28Å; S47-D157 VanDerWaalsContact CB-OD2 3.22Å; S47-D157 WeakPolarHBondContact CB-OD2 3.22Å; S47-D157 PolarHBondContact N-OD1 2.92Å; S47-D157 PolarHBondContact OG-OD2 2.88Å; D157-R159 WeakPolarHBondContact O-CG 3.35Å; D157-R159 PolarHBondContact O-N 3.26Å; D157-L279 HydrophobicContact CB-CD1 4.1Å; D157-L279 HydrophobicContact CB-CD2 4.38Å; D157-L279 VanDerWaalsContact OD2-CD2 3.28Å; D157-L279 WeakPolarHBondContact OD2-CD2 3.17Å |
| 158 | G | 98 | Very high | 98.7 | Very high | 47 Ų | 47 | 14.1 Ų | 14.1 | 49% | 0.485 | 8% | 0.075 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 73.6 | 6.7 | -174 | 0 | 0 | 0 | 0 | 0 | 114.9 | I155 I156 | I155-G158 VanDerWaalsContact CG1-CA 3.48Å; I156-G158 PolarHBondContact O-N 3.16Å |
| 159 | R | 98.3 | Very high | 98.7 | Very high | 123 Ų | 123 | 15.8 Ų | 15.8 | 46% | 0.464 | 9% | 0.086 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -124.8 | -27.7 | -168.5 | -58.7 | -171.7 | 76 | -178.3 | -1.5 | 115.4 | I156 D157 I231 D232 L279 | I156-R159 PolarHBondContact O-N 3.45Å; D157-R159 WeakPolarHBondContact O-CG 3.35Å; D157-R159 PolarHBondContact O-N 3.26Å; R159-I231 CarbonylContact O-C 3.57Å; R159-I231 WeakPolarHBondContact O-CA 3.34Å; R159-I231 WeakPolarHBondContact O-CG2 3.27Å; R159-D232 IonicContact CZ-OD1 3.28Å; R159-D232 IonicContact CZ-OD2 2.88Å; R159-D232 IonicContact NE-OD1 3.55Å; R159-D232 PolarHBondContact NE-OD1 2.98Å; R159-D232 IonicContact NE-OD2 3.01Å; R159-D232 PolarHBondContact NE-OD2 3.16Å; R159-D232 IonicContact NH1-OD2 2.91Å; R159-D232 IonicContact NH2-OD1 2.73Å; R159-D232 PolarHBondContact NH2-OD1 2.82Å; R159-D232 IonicContact NH2-OD2 3.85Å; R159-D232 PolarHBondContact NH2-OD2 3.16Å; R159-D232 VanDerWaalsContact NH2-OD2 3.09Å; R159-D232 PolarHBondContact O-N 3.34Å; R159-L279 HydrophobicContact CB-CD1 4.32Å |
| 160 | I | 98.8 | Very high | 98.6 | Very high | 1 Ų | 1 | 17.3 Ų | 17.3 | 1% | 0.005 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 109.8 | -178 | -54 | 168.2 | 0 | 0 | 0 | 108.7 | I155 I156 F233 C235 L275 L279 | I155-I160 WeakPolarHBondContact CA-O 3.4Å; I155-I160 WeakPolarHBondContact CD1-O 2.82Å; I156-I160 HydrophobicContact CB-CB 4.16Å; I156-I160 PolarHBondContact N-O 3.15Å; I156-I160 PolarHBondContact O-N 2.8Å; I156-I160 VanDerWaalsContact O-N 3.1Å; I160-F233 HydrophobicContact CB-CE1 4.26Å; I160-F233 HydrophobicContact CB-CZ 4.34Å; I160-F233 HydrophobicContact CD1-CE1 3.5Å; I160-F233 VanDerWaalsContact CD1-CE1 3.5Å; I160-F233 HydrophobicContact CD1-CZ 3.71Å; I160-F233 HydrophobicContact CG1-CD1 4.11Å; I160-F233 HydrophobicContact CG1-CE1 3.49Å; I160-F233 VanDerWaalsContact CG1-CE1 3.49Å; I160-F233 HydrophobicContact CG1-CZ 3.94Å; I160-F233 HydrophobicContact CG2-CD1 4.33Å; I160-F233 HydrophobicContact CG2-CD2 4.2Å; I160-F233 HydrophobicContact CG2-CE1 3.82Å; I160-F233 HydrophobicContact CG2-CE2 3.69Å; I160-F233 HydrophobicContact CG2-CZ 3.48Å; I160-F233 VanDerWaalsContact CG2-CZ 3.48Å; I160-C235 HydrophobicContact CG2-CB 3.98Å; I160-L275 HydrophobicContact CD1-CD1 3.59Å; I160-L275 HydrophobicContact CD1-CD2 4.06Å; I160-L275 HydrophobicContact CD1-CG 4.49Å; I160-L279 HydrophobicContact CD1-CD1 4.45Å; I160-L279 HydrophobicContact CD1-CD2 4.05Å |
| 161 | F | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 124.1 | 179.8 | 175.7 | -123.2 | 0 | 0 | 0 | 109.9 | S153 I155 V163 L167 L174 I177 L195 F225 I231 F233 I234 C235 | S153-F161 VanDerWaalsContact CB-CE2 3.5Å; I155-F161 HydrophobicContact CD1-CB 4.42Å; F161-V163 HydrophobicContact CE1-CB 3.96Å; F161-V163 HydrophobicContact CE1-CG1 3.89Å; F161-V163 HydrophobicContact CZ-CB 3.88Å; F161-V163 HydrophobicContact CZ-CG1 4.33Å; F161-V163 HydrophobicContact CZ-CG2 4.35Å; F161-L167 HydrophobicContact CE1-CD2 4.17Å; F161-L174 HydrophobicContact CD2-CD2 3.39Å; F161-L174 HydrophobicContact CE2-CD2 3.53Å; F161-L174 HydrophobicContact CG-CD2 4Å; F161-L174 HydrophobicContact CZ-CD2 4.26Å; F161-I177 HydrophobicContact CE1-CD1 4.49Å; F161-I177 HydrophobicContact CE2-CD1 3.7Å; F161-I177 HydrophobicContact CZ-CD1 3.47Å; F161-I177 VanDerWaalsContact CZ-CD1 3.47Å; F161-L195 HydrophobicContact CZ-CD2 4.41Å; F161-F225 AromaticContact CD1-CE1 3.85Å; F161-F225 HydrophobicContact CD1-CE1 3.85Å; F161-F225 HydrophobicContact CD1-CZ 4.33Å; F161-F225 HydrophobicContact CE1-CE1 4.18Å; F161-F225 HydrophobicContact CE1-CZ 4.25Å; F161-F225 HydrophobicContact CG-CE1 4.37Å; F161-I231 HydrophobicContact CB-CD1 4.24Å; F161-I231 HydrophobicContact CB-CG1 4.22Å; F161-I231 HydrophobicContact CB-CG2 3.86Å; F161-F233 PolarHBondContact N-O 3.22Å; F161-I234 HydrophobicContact CD1-CD1 4.45Å; F161-I234 HydrophobicContact CD1-CG1 4.16Å; F161-I234 HydrophobicContact CD1-CG2 4.01Å; F161-I234 CarbonylContact O-C 3.44Å; F161-I234 VanDerWaalsContact O-CA 3.31Å; F161-I234 WeakPolarHBondContact O-CA 3.45Å; F161-C235 PolarHBondContact O-N 2.78Å |
| 162 | C | 99 | Very high | 98.6 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 126.2 | -177.2 | -69.4 | 0 | 0 | 0 | 0 | 110.9 | L78 L80 S153 A154 I156 C235 | L78-C162 HydrophobicContact CD2-CB 3.68Å; L78-C162 VanDerWaalsContact CD2-SG 3.57Å; L80-C162 HydrophobicContact CD2-CB 3.82Å; S153-C162 CarbonylContact C-O 3.5Å; S153-C162 WeakPolarHBondContact CA-O 3.39Å; S153-C162 WeakPolarHBondContact CB-O 3.23Å; A154-C162 HydrophobicContact CB-CB 4.09Å; A154-C162 PolarHBondContact N-O 3.49Å; A154-C162 PolarHBondContact O-N 3.04Å; I156-C162 VanDerWaalsContact CD1-SG 3.56Å; C162-C235 VanDerWaalsContact CA-O 3.24Å; C162-C235 WeakPolarHBondContact CA-O 3.48Å |
| 163 | V | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 151.4 | -179.3 | 67.7 | 0 | 0 | 0 | 0 | 109.2 | F161 L195 I234 C235 R236 | F161-V163 HydrophobicContact CE1-CB 3.96Å; F161-V163 HydrophobicContact CE1-CG1 3.89Å; F161-V163 HydrophobicContact CZ-CB 3.88Å; F161-V163 HydrophobicContact CZ-CG1 4.33Å; F161-V163 HydrophobicContact CZ-CG2 4.35Å; V163-L195 HydrophobicContact CG2-CB 4.05Å; V163-L195 HydrophobicContact CG2-CD2 3.94Å; V163-L195 VanDerWaalsContact CG2-O 3.23Å; V163-L195 WeakPolarHBondContact CG2-O 3.35Å; V163-I234 HydrophobicContact CG1-CG2 4.19Å; V163-C235 PolarHBondContact N-O 3.37Å; V163-C235 VanDerWaalsContact N-O 3.13Å; V163-R236 HydrophobicContact CG1-CB 4.22Å; V163-R236 WeakPolarHBondContact O-CA 3.24Å; V163-R236 VanDerWaalsContact O-CB 3.23Å; V163-R236 WeakPolarHBondContact O-CB 3.35Å |
| 164 | H | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 14% | 0.14 | C | C | . | . | S | Bend | trans | -66.3 | -61.5 | 178.5 | 178.6 | 69.1 | 0 | 0 | 0 | 111.7 | D54 L80 D82 R112 G113 N114 L196 R236 A237 H238 | D54-H164 IonicContact OD1-CE1 2.99Å; D54-H164 PolarHBondContact OD1-CE1 3.47Å; D54-H164 IonicContact OD1-ND1 3.97Å; D54-H164 IonicContact OD2-CE1 3.09Å; L80-H164 WeakPolarHBondContact O-CA 3.16Å; L80-H164 WeakPolarHBondContact O-CB 3.44Å; L80-H164 VanDerWaalsContact O-CG 3.27Å; L80-H164 PolarHBondContact O-ND1 2.98Å; D82-H164 IonicContact OD1-CE1 3.15Å; D82-H164 PolarHBondContact OD1-CE1 2.92Å; D82-H164 IonicContact OD1-NE2 2.77Å; D82-H164 PolarHBondContact OD1-NE2 3.23Å; D82-H164 IonicContact OD2-CE1 2.81Å; D82-H164 PolarHBondContact OD2-CE1 2.73Å; D82-H164 IonicContact OD2-NE2 3.78Å; D82-H164 PolarHBondContact OD2-NE2 3.01Å; R112-H164 WeakPolarHBondContact O-CB 3.35Å; G113-H164 VanDerWaalsContact CA-CG 3.45Å; N114-H164 PolarHBondContact N-CD2 3.28Å; N114-H164 PolarHBondContact OD1-NE2 2.88Å; H164-L196 HydrophobicContact CB-CD2 4.26Å; H164-L196 PolarHBondContact CD2-O 3.44Å; H164-L196 VanDerWaalsContact CD2-O 3.28Å; H164-R236 PolarHBondContact O-NE 3.01Å; H164-A237 CarbonylContact O-C 3.12Å; H164-A237 PolarHBondContact O-N 3.41Å; H164-H238 AromaticContact CD2-ND1 3.76Å; H164-H238 WeakPolarHBondContact NE2-CB 3.37Å; H164-H238 AromaticContact NE2-CG 3.58Å; H164-H238 AromaticContact NE2-ND1 3.09Å; H164-H238 PolarHBondContact NE2-ND1 3.09Å; H164-H238 WeakPolarHBondContact O-CB 3.25Å |
| 165 | G | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 17% | 0.169 | C | C | . | . | S | Bend | trans | -83 | -93.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | L195 S198 R236 | G165-L195 CarbonylContact C-O 3.55Å; G165-L195 WeakPolarHBondContact CA-O 3.4Å; G165-L195 PolarHBondContact N-O 3.31Å; G165-S198 CarbonylContact C-O 3.51Å; G165-R236 VanDerWaalsContact C-NH2 3.31Å; G165-R236 PolarHBondContact O-NE 3.22Å; G165-R236 PolarHBondContact O-NH2 3.45Å |
| 166 | G | 98.6 | Very high | 98.5 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 18% | 0.183 | C | C | . | . | trans | -175 | -146.8 | -172.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | L195 S198 | G166-L195 PolarHBondContact N-O 3.3Å; G166-L195 WeakPolarHBondContact O-CA 3.17Å; G166-L195 WeakPolarHBondContact O-CD2 3.49Å; G166-S198 PolarHBondContact N-O 3.48Å | ||
| 167 | L | 98.7 | Very high | 98.5 | Very high | 3 Ų | 3 | 32.5 Ų | 32.5 | 2% | 0.016 | 18% | 0.183 | C | C | . | . | trans | -86.3 | 160.9 | -176.7 | -60 | -179.2 | 0 | 0 | 0 | 111.8 | F161 S198 W206 F217 V221 V222 F225 I234 | F161-L167 HydrophobicContact CE1-CD2 4.17Å; L167-S198 VanDerWaalsContact O-CB 3.24Å; L167-S198 WeakPolarHBondContact O-CB 3.46Å; L167-S198 PolarHBondContact O-OG 3.15Å; L167-S198 VanDerWaalsContact O-OG 3.06Å; L167-W206 HydrophobicContact CB-CH2 3.65Å; L167-W206 HydrophobicContact CB-CZ3 4.18Å; L167-F217 HydrophobicContact CB-CD1 4.42Å; L167-F217 HydrophobicContact CB-CG 4.38Å; L167-F217 HydrophobicContact CD1-CD2 4.4Å; L167-V221 HydrophobicContact CD1-CG1 3.95Å; L167-V222 HydrophobicContact CD1-CG2 4.12Å; L167-F225 HydrophobicContact CD1-CB 3.87Å; L167-F225 HydrophobicContact CD1-CD1 4.44Å; L167-F225 HydrophobicContact CD1-CG 4.04Å; L167-F225 HydrophobicContact CD2-CD1 3.77Å; L167-F225 HydrophobicContact CD2-CD2 3.91Å; L167-F225 HydrophobicContact CD2-CE1 3.84Å; L167-F225 HydrophobicContact CD2-CE2 3.98Å; L167-F225 HydrophobicContact CD2-CG 3.8Å; L167-F225 HydrophobicContact CD2-CZ 3.94Å; L167-I234 HydrophobicContact CD1-CD1 3.83Å; L167-I234 HydrophobicContact CD2-CD1 3.73Å; L167-I234 HydrophobicContact CG-CD1 3.89Å | ||
| 168 | S | 98.7 | Very high | 98.5 | Very high | 1 Ų | 1 | 34 Ų | 34 | 1% | 0.007 | 18% | 0.184 | C | C | . | . | trans | -119.7 | 141.2 | 173.7 | 173.7 | 0 | 0 | 0 | 0 | 110.7 | T170 I171 D194 W206 | S168-T170 PolarHBondContact O-N 3.07Å; S168-T170 VanDerWaalsContact O-N 3.1Å; S168-T170 PolarHBondContact OG-N 3.23Å; S168-T170 VanDerWaalsContact OG-N 3.09Å; S168-T170 PolarHBondContact OG-OG1 2.92Å; S168-I171 PolarHBondContact O-N 2.76Å; S168-I171 VanDerWaalsContact O-O 3.09Å; S168-D194 VanDerWaalsContact CB-CB 3.44Å; S168-D194 WeakPolarHBondContact CB-OD2 3.41Å; S168-D194 PolarHBondContact OG-OD2 3.37Å; S168-W206 WeakPolarHBondContact O-CH2 3.36Å | ||
| 169 | P | 98.1 | Very high | 98.5 | Very high | 49 Ų | 49 | 37.3 Ų | 37.3 | 32% | 0.318 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -15.6 | 171.7 | 26 | -34 | 0 | 0 | 0 | 113.1 | W206 Y215 | P169-W206 HydrophobicContact CB-CD2 3.9Å; P169-W206 HydrophobicContact CB-CE3 4.32Å; P169-W206 HydrophobicContact CB-CG 4.26Å; P169-W206 HydrophobicContact CB-CH2 4.48Å; P169-W206 HydrophobicContact CB-CZ2 4.07Å; P169-W206 HydrophobicContact CG-CD2 4.49Å; P169-W206 HydrophobicContact CG-CE3 4.48Å; P169-W206 VanDerWaalsContact N-CH2 3.25Å; P169-Y215 VanDerWaalsContact CD-CD2 3.43Å; P169-Y215 HydrophobicContact CG-CD1 4.24Å; P169-Y215 HydrophobicContact CG-CD2 3.72Å; P169-Y215 HydrophobicContact CG-CE1 4.08Å; P169-Y215 HydrophobicContact CG-CE2 3.55Å; P169-Y215 HydrophobicContact CG-CG 4.08Å |
| 170 | T | 97.4 | Very high | 98.5 | Very high | 76 Ų | 76 | 32.7 Ų | 32.7 | 47% | 0.466 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.2 | -5.8 | 178.1 | 66.8 | 0 | 0 | 0 | 0 | 113.6 | S168 Q176 | S168-T170 PolarHBondContact O-N 3.07Å; S168-T170 VanDerWaalsContact O-N 3.1Å; S168-T170 PolarHBondContact OG-N 3.23Å; S168-T170 VanDerWaalsContact OG-N 3.09Å; S168-T170 PolarHBondContact OG-OG1 2.92Å; T170-Q176 PolarHBondContact O-NE2 3.38Å |
| 171 | I | 98.4 | Very high | 98.5 | Very high | 10 Ų | 10 | 37.6 Ų | 37.6 | 5% | 0.051 | 21% | 0.206 | C | C | . | . | trans | -118.7 | 111.4 | -178.7 | -55.4 | 175.2 | 0 | 0 | 0 | 109 | S168 T173 Q176 I177 I180 P191 L195 F225 | S168-I171 PolarHBondContact O-N 2.76Å; S168-I171 VanDerWaalsContact O-O 3.09Å; I171-T173 WeakPolarHBondContact CG2-O 3.41Å; I171-Q176 HydrophobicContact CG2-CB 4.21Å; I171-I177 HydrophobicContact CD1-CG1 4.08Å; I171-I177 HydrophobicContact CG2-CD1 4.12Å; I171-I177 HydrophobicContact CG2-CG1 3.55Å; I171-I180 HydrophobicContact CD1-CD1 4.18Å; I171-P191 HydrophobicContact CD1-CB 3.56Å; I171-P191 HydrophobicContact CG1-CB 3.74Å; I171-L195 HydrophobicContact CD1-CD1 3.77Å; I171-L195 HydrophobicContact CD1-CD2 3.91Å; I171-L195 HydrophobicContact CD1-CG 3.73Å; I171-F225 HydrophobicContact CG2-CE2 4.37Å | ||
| 172 | T | 97.9 | Very high | 98.4 | Very high | 74 Ų | 74 | 38.1 Ų | 38.1 | 45% | 0.454 | 21% | 0.208 | S | C | . | . | trans | -103.4 | -23.9 | 174.1 | 57.4 | 0 | 0 | 0 | 0 | 112.6 | Q176 F225 L228 N229 | T172-Q176 PolarHBondContact OG1-OE1 2.99Å; T172-F225 WeakPolarHBondContact O-CD2 3.09Å; T172-L228 WeakPolarHBondContact O-CD2 3.2Å; T172-N229 PolarHBondContact O-ND2 2.9Å | ||
| 173 | T | 98.5 | Very high | 98.4 | Very high | 37 Ų | 37 | 42.8 Ų | 42.8 | 23% | 0.227 | 23% | 0.228 | C | C | . | . | S | Bend | trans | -129.6 | 152.5 | -175.9 | 61.4 | 0 | 0 | 0 | 0 | 112.5 | I171 D175 Q176 L228 N229 | I171-T173 WeakPolarHBondContact CG2-O 3.41Å; T173-D175 PolarHBondContact O-N 3.48Å; T173-Q176 WeakPolarHBondContact O-CB 3.42Å; T173-Q176 PolarHBondContact O-N 2.61Å; T173-Q176 WeakPolarHBondContact OG1-CG 3.49Å; T173-Q176 PolarHBondContact OG1-N 3.26Å; T173-Q176 PolarHBondContact OG1-OE1 3.37Å; T173-L228 HydrophobicContact CG2-CD2 3.92Å; T173-L228 HydrophobicContact CG2-CG 4.3Å; T173-N229 WeakPolarHBondContact CA-OD1 3.47Å |
| 174 | L | 98.6 | Very high | 98.4 | Very high | 20 Ų | 20 | 46.8 Ų | 46.8 | 11% | 0.105 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -59.4 | -31.9 | 172.8 | -64.9 | -178.6 | 0 | 0 | 0 | 112.4 | V42 I155 F161 Q176 I177 R178 F225 N229 I231 | V42-L174 HydrophobicContact CG1-CD2 4.49Å; I155-L174 HydrophobicContact CD1-CD1 4.26Å; I155-L174 HydrophobicContact CG1-CD1 4.46Å; F161-L174 HydrophobicContact CD2-CD2 3.39Å; F161-L174 HydrophobicContact CE2-CD2 3.53Å; F161-L174 HydrophobicContact CG-CD2 4Å; F161-L174 HydrophobicContact CZ-CD2 4.26Å; L174-Q176 VanDerWaalsContact C-N 3.28Å; L174-Q176 PolarHBondContact O-N 2.99Å; L174-I177 HydrophobicContact CD2-CD1 4.07Å; L174-I177 WeakPolarHBondContact O-CB 3.4Å; L174-I177 PolarHBondContact O-N 2.89Å; L174-R178 PolarHBondContact O-N 2.98Å; L174-F225 HydrophobicContact CD2-CE1 4.39Å; L174-F225 HydrophobicContact CD2-CZ 4.01Å; L174-N229 HydrophobicContact CG-CB 4.28Å; L174-N229 PolarHBondContact N-OD1 2.56Å; L174-I231 HydrophobicContact CD1-CD1 4.17Å |
| 175 | D | 98.3 | Very high | 98.3 | Very high | 113 Ų | 113 | 48.8 Ų | 48.8 | 60% | 0.604 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -64.7 | -32.4 | 178.4 | -70.5 | -24.2 | 0 | 0 | 0 | 112.4 | T173 I177 R178 T179 | T173-D175 PolarHBondContact O-N 3.48Å; D175-I177 VanDerWaalsContact C-N 3.27Å; D175-I177 PolarHBondContact O-N 2.82Å; D175-R178 WeakPolarHBondContact O-CB 3.39Å; D175-R178 PolarHBondContact O-N 3.25Å; D175-R178 IonicContact OD1-NE 3.79Å; D175-T179 PolarHBondContact O-N 2.91Å |
| 176 | Q | 98.6 | Very high | 98.3 | Very high | 71 Ų | 71 | 49.1 Ų | 49.1 | 33% | 0.332 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -65.6 | -30.6 | 172.9 | -72.2 | 171 | -66.4 | 0 | 0 | 112.2 | T170 I171 T172 T173 L174 T179 | T170-Q176 PolarHBondContact O-NE2 3.38Å; I171-Q176 HydrophobicContact CG2-CB 4.21Å; T172-Q176 PolarHBondContact OG1-OE1 2.99Å; T173-Q176 WeakPolarHBondContact O-CB 3.42Å; T173-Q176 PolarHBondContact O-N 2.61Å; T173-Q176 WeakPolarHBondContact OG1-CG 3.49Å; T173-Q176 PolarHBondContact OG1-N 3.26Å; T173-Q176 PolarHBondContact OG1-OE1 3.37Å; L174-Q176 VanDerWaalsContact C-N 3.28Å; L174-Q176 PolarHBondContact O-N 2.99Å; Q176-T179 PolarHBondContact O-OG1 2.85Å |
| 177 | I | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -68.7 | -40 | 173.9 | -54.3 | 175.3 | 0 | 0 | 0 | 109.8 | N41 V42 L152 F161 I171 L174 D175 T179 I180 L195 | N41-I177 HydrophobicContact CB-CG2 4.08Å; N41-I177 VanDerWaalsContact CB-O 3.3Å; N41-I177 WeakPolarHBondContact CB-O 3.46Å; N41-I177 PolarHBondContact ND2-O 2.87Å; V42-I177 HydrophobicContact CG2-CB 3.59Å; V42-I177 HydrophobicContact CG2-CD1 4.37Å; V42-I177 HydrophobicContact CG2-CG2 3.6Å; L152-I177 HydrophobicContact CB-CG2 4.49Å; F161-I177 HydrophobicContact CE1-CD1 4.49Å; F161-I177 HydrophobicContact CE2-CD1 3.7Å; F161-I177 HydrophobicContact CZ-CD1 3.47Å; F161-I177 VanDerWaalsContact CZ-CD1 3.47Å; I171-I177 HydrophobicContact CD1-CG1 4.08Å; I171-I177 HydrophobicContact CG2-CD1 4.12Å; I171-I177 HydrophobicContact CG2-CG1 3.55Å; L174-I177 HydrophobicContact CD2-CD1 4.07Å; L174-I177 WeakPolarHBondContact O-CB 3.4Å; L174-I177 PolarHBondContact O-N 2.89Å; D175-I177 VanDerWaalsContact C-N 3.27Å; D175-I177 PolarHBondContact O-N 2.82Å; I177-T179 PolarHBondContact O-N 2.87Å; I177-T179 VanDerWaalsContact O-N 3.17Å; I177-I180 HydrophobicContact CG2-CD1 4.41Å; I177-I180 PolarHBondContact O-N 2.94Å; I177-L195 HydrophobicContact CD1-CD2 3.98Å; I177-L195 HydrophobicContact CG1-CD1 4.32Å; I177-L195 HydrophobicContact CG1-CD2 4.39Å; I177-L195 HydrophobicContact CG2-CD1 3.87Å |
| 178 | R | 98.4 | Very high | 98.1 | Very high | 88 Ų | 88 | 57.3 Ų | 57.3 | 33% | 0.332 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -61 | -23.7 | -179.8 | -63.4 | -176.8 | -175.3 | -70.9 | -2.7 | 113.9 | S40 V42 L174 D175 | S40-R178 PolarHBondContact OG-NH1 3.41Å; V42-R178 HydrophobicContact CB-CG 4.2Å; V42-R178 HydrophobicContact CG2-CG 3.81Å; V42-R178 PolarHBondContact O-NH1 2.84Å; L174-R178 PolarHBondContact O-N 2.98Å; D175-R178 WeakPolarHBondContact O-CB 3.39Å; D175-R178 PolarHBondContact O-N 3.25Å; D175-R178 IonicContact OD1-NE 3.79Å |
| 179 | T | 98 | Very high | 98 | Very high | 117 Ų | 117 | 63.2 Ų | 63.2 | 72% | 0.718 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.2 | -7.7 | -177.9 | 61.6 | 0 | 0 | 0 | 0 | 114.4 | D175 Q176 I177 D181 | D175-T179 PolarHBondContact O-N 2.91Å; Q176-T179 PolarHBondContact O-OG1 2.85Å; I177-T179 PolarHBondContact O-N 2.87Å; I177-T179 VanDerWaalsContact O-N 3.17Å; T179-D181 PolarHBondContact O-N 2.82Å |
| 180 | I | 98.5 | Very high | 98 | Very high | 27 Ų | 27 | 62 Ų | 62 | 14% | 0.138 | 33% | 0.328 | C | S | . | . | S | Bend | trans | -63.3 | 131.8 | 178.2 | -62 | 172.1 | 0 | 0 | 0 | 109.9 | N41 L152 I171 I177 R182 P191 M192 L195 | N41-I180 PolarHBondContact ND2-O 2.85Å; L152-I180 HydrophobicContact CD1-CB 4.05Å; L152-I180 HydrophobicContact CD1-CD1 3.99Å; L152-I180 HydrophobicContact CD1-CG2 3.76Å; I171-I180 HydrophobicContact CD1-CD1 4.18Å; I177-I180 HydrophobicContact CG2-CD1 4.41Å; I177-I180 PolarHBondContact O-N 2.94Å; I180-R182 PolarHBondContact O-N 3.42Å; I180-R182 VanDerWaalsContact O-N 3.08Å; I180-P191 HydrophobicContact CD1-CB 3.94Å; I180-P191 HydrophobicContact CD1-CG 4.4Å; I180-M192 HydrophobicContact CG2-CB 4.12Å; I180-M192 HydrophobicContact CG2-SD 4.49Å; I180-L195 HydrophobicContact CD1-CD1 3.79Å |
| 181 | D | 98 | Very high | 98 | Very high | 103 Ų | 103 | 60.7 Ų | 60.7 | 55% | 0.551 | 32% | 0.32 | S | S | * | . | trans | -76.6 | 95.7 | 167.1 | -174.5 | 7.2 | 0 | 0 | 0 | 109.4 | T179 K183 Q184 | T179-D181 PolarHBondContact O-N 2.82Å; D181-K183 VanDerWaalsContact C-N 3.35Å; D181-K183 PolarHBondContact OD1-N 3.38Å; D181-Q184 PolarHBondContact O-NE2 2.89Å | ||
| 182 | R | 98.2 | Very high | 98 | Very high | 12 Ų | 12 | 60.5 Ų | 60.5 | 5% | 0.045 | 32% | 0.319 | C | S | . | . | trans | -78.8 | -14.8 | -175.9 | 70.4 | 165.3 | -174.9 | -89 | 3.8 | 114.5 | L36 E39 N41 D148 Y149 L150 L152 I180 Q184 | L36-R182 PolarHBondContact O-NH2 3.23Å; E39-R182 VanDerWaalsContact O-CZ 3.28Å; E39-R182 PolarHBondContact O-NH1 3.14Å; E39-R182 PolarHBondContact O-NH2 3.39Å; N41-R182 WeakPolarHBondContact OD1-CD 3.09Å; N41-R182 VanDerWaalsContact OD1-CG 3.28Å; N41-R182 WeakPolarHBondContact OD1-CG 3.18Å; N41-R182 PolarHBondContact OD1-NH1 2.86Å; D148-R182 CarbonylContact O-C 3.12Å; D148-R182 VanDerWaalsContact O-O 3.05Å; Y149-R182 PolarHBondContact O-NE 2.9Å; Y149-R182 PolarHBondContact O-NH2 2.7Å; L150-R182 WeakPolarHBondContact O-CD 3.37Å; L150-R182 PolarHBondContact O-NE 2.97Å; L152-R182 HydrophobicContact CD1-CB 4.03Å; L152-R182 HydrophobicContact CD2-CB 4.05Å; L152-R182 HydrophobicContact CG-CB 3.98Å; I180-R182 PolarHBondContact O-N 3.42Å; I180-R182 VanDerWaalsContact O-N 3.08Å; R182-Q184 PolarHBondContact O-N 2.74Å | ||
| 183 | K | 98 | Very high | 98.1 | Very high | 97 Ų | 97 | 57 Ų | 57 | 42% | 0.422 | 30% | 0.298 | S | S | . | . | S | Bend | trans | -80 | 50.9 | -167.2 | -63.2 | 171.7 | -172.9 | 170 | 0 | 112.4 | D148 Y149 D181 | D148-K183 WeakPolarHBondContact O-CA 3.3Å; Y149-K183 HydrophobicContact CD1-CG 4.41Å; Y149-K183 HydrophobicContact CE1-CD 4.24Å; Y149-K183 HydrophobicContact CE1-CG 4.38Å; D181-K183 VanDerWaalsContact C-N 3.35Å; D181-K183 PolarHBondContact OD1-N 3.38Å |
| 184 | Q | 98.3 | Very high | 98.1 | Very high | 84 Ų | 84 | 55.4 Ų | 55.4 | 39% | 0.393 | 29% | 0.288 | S | S | . | . | S | Bend | trans | -151.9 | 167.3 | -176.5 | 60 | -176.3 | -50.5 | 0 | 0 | 110.3 | R112 D148 D181 R182 M192 | R112-Q184 PolarHBondContact NH1-O 2.61Å; D148-Q184 VanDerWaalsContact OD1-O 3.07Å; D181-Q184 PolarHBondContact O-NE2 2.89Å; R182-Q184 PolarHBondContact O-N 2.74Å; Q184-M192 HydrophobicContact CG-SD 4.48Å |
| 185 | E | 98.4 | Very high | 98.1 | Very high | 42 Ų | 42 | 54.6 Ų | 54.6 | 20% | 0.196 | 28% | 0.284 | C | S | . | . | P | Polyproline II helix | trans | -57.3 | 143.8 | 166.6 | -177.2 | 59.4 | -157.6 | 0 | 0 | 110.4 | S117 R118 Q119 P187 | S117-E185 WeakPolarHBondContact CA-OE1 3.44Å; S117-E185 WeakPolarHBondContact CB-OE1 3.39Å; S117-E185 PolarHBondContact OG-OE1 3.37Å; R118-E185 VanDerWaalsContact CB-OE2 3.3Å; R118-E185 WeakPolarHBondContact CB-OE2 3.18Å; R118-E185 WeakPolarHBondContact CD-OE2 3.48Å; R118-E185 VanDerWaalsContact CG-OE2 3.22Å; R118-E185 WeakPolarHBondContact CG-OE2 3.48Å; R118-E185 IonicContact CZ-OE2 3.6Å; R118-E185 PolarHBondContact N-OE1 3.01Å; R118-E185 PolarHBondContact N-OE2 3.08Å; R118-E185 VanDerWaalsContact N-OE2 3.1Å; R118-E185 IonicContact NH1-OE2 3.96Å; R118-E185 PolarHBondContact NH1-OE2 2.84Å; Q119-E185 PolarHBondContact N-OE1 3.47Å; E185-P187 VanDerWaalsContact O-CD 3.26Å; E185-P187 WeakPolarHBondContact O-CD 3.31Å |
| 186 | V | 98.3 | Very high | 98.1 | Very high | 8 Ų | 8 | 49.2 Ų | 49.2 | 5% | 0.048 | 26% | 0.255 | C | S | . | . | P | Polyproline II helix | trans | -58.4 | 120.8 | 177.2 | -176.4 | 0 | 0 | 0 | 0 | 109.6 | M192 L196 | V186-M192 HydrophobicContact CG2-CE 4.1Å; V186-L196 HydrophobicContact CB-CD1 4.49Å; V186-L196 HydrophobicContact CG1-CD1 3.92Å; V186-L196 HydrophobicContact CG2-CD1 3.66Å |
| 187 | P | 97.9 | Very high | 98.1 | Very high | 41 Ų | 41 | 47.6 Ų | 47.6 | 27% | 0.266 | 25% | 0.246 | S | C | . | . | P | Polyproline II helix | trans | -66.2 | 161.7 | 176.3 | -20.7 | 33.6 | 0 | 0 | 0 | 112.3 | E185 D189 C193 | E185-P187 VanDerWaalsContact O-CD 3.26Å; E185-P187 WeakPolarHBondContact O-CD 3.31Å; P187-D189 VanDerWaalsContact C-N 3.27Å; P187-D189 WeakPolarHBondContact CB-O 3.49Å; P187-D189 PolarHBondContact O-N 3.19Å; P187-C193 WeakPolarHBondContact O-CB 3.44Å; P187-C193 PolarHBondContact O-SG 3.36Å; P187-C193 VanDerWaalsContact O-SG 3.34Å |
| 188 | H | 95.3 | Very high | 98.1 | Very high | 133 Ų | 133 | 47.6 Ų | 47.6 | 62% | 0.616 | 25% | 0.246 | S | C | * | . | S | Bend | trans | -73.5 | -18.4 | 176 | -65.9 | -71.7 | 0 | 0 | 0 | 113.6 | Q119 C193 | Q119-H188 PolarHBondContact NE2-CE1 2.91Å; Q119-H188 PolarHBondContact NE2-NE2 2.94Å; Q119-H188 PolarHBondContact OE1-CE1 3.22Å; H188-C193 PolarHBondContact O-SG 3.47Å |
| 189 | D | 96.6 | Very high | 98.1 | Very high | 125 Ų | 125 | 43.6 Ų | 43.6 | 67% | 0.668 | 23% | 0.231 | S | C | * | . | S | Bend | trans | -148.5 | 174.6 | 179.8 | 66.6 | -14.3 | 0 | 0 | 0 | 112 | P187 | P187-D189 VanDerWaalsContact C-N 3.27Å; P187-D189 WeakPolarHBondContact CB-O 3.49Å; P187-D189 PolarHBondContact O-N 3.19Å |
| 190 | G | 97.5 | Very high | 98.1 | Very high | 24 Ų | 24 | 38.3 Ų | 38.3 | 25% | 0.247 | 20% | 0.199 | C | C | . | . | S | Bend | trans | 86.9 | -178.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | M192 C193 D194 | G190-M192 VanDerWaalsContact C-N 3.33Å; G190-M192 PolarHBondContact O-N 3.47Å; G190-C193 WeakPolarHBondContact O-CB 3.3Å; G190-C193 PolarHBondContact O-N 2.89Å; G190-D194 PolarHBondContact O-N 3.41Å |
| 191 | P | 98.2 | Very high | 98.1 | Very high | 48 Ų | 48 | 41 Ų | 41 | 31% | 0.312 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -59.1 | -38.9 | -163.5 | 19.7 | -32.6 | 0 | 0 | 0 | 114 | I171 I180 D194 L195 | I171-P191 HydrophobicContact CD1-CB 3.56Å; I171-P191 HydrophobicContact CG1-CB 3.74Å; I180-P191 HydrophobicContact CD1-CB 3.94Å; I180-P191 HydrophobicContact CD1-CG 4.4Å; P191-D194 PolarHBondContact O-N 3.12Å; P191-L195 VanDerWaalsContact O-CG 3.25Å; P191-L195 WeakPolarHBondContact O-CG 3.48Å; P191-L195 PolarHBondContact O-N 3.41Å |
| 192 | M | 98.6 | Very high | 97.9 | Very high | 6 Ų | 6 | 42.8 Ų | 42.8 | 3% | 0.03 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -67.7 | -41.6 | 177.7 | -178.3 | 170 | 174 | 0 | 0 | 112 | L152 I180 Q184 V186 G190 L196 | L152-M192 HydrophobicContact CD1-CG 4.25Å; L152-M192 HydrophobicContact CD2-CE 3.87Å; L152-M192 HydrophobicContact CD2-CG 4.07Å; L152-M192 HydrophobicContact CD2-SD 4.34Å; I180-M192 HydrophobicContact CG2-CB 4.12Å; I180-M192 HydrophobicContact CG2-SD 4.49Å; Q184-M192 HydrophobicContact CG-SD 4.48Å; V186-M192 HydrophobicContact CG2-CE 4.1Å; G190-M192 VanDerWaalsContact C-N 3.33Å; G190-M192 PolarHBondContact O-N 3.47Å; M192-L196 WeakPolarHBondContact O-CG 3.21Å |
| 193 | C | 98.6 | Very high | 97.5 | Very high | 1 Ų | 1 | 45.4 Ų | 45.4 | 1% | 0.007 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -61.1 | -49.2 | 175.1 | -170.8 | 0 | 0 | 0 | 0 | 110.1 | P187 H188 G190 L195 L196 W197 | P187-C193 WeakPolarHBondContact O-CB 3.44Å; P187-C193 PolarHBondContact O-SG 3.36Å; P187-C193 VanDerWaalsContact O-SG 3.34Å; H188-C193 PolarHBondContact O-SG 3.47Å; G190-C193 WeakPolarHBondContact O-CB 3.3Å; G190-C193 PolarHBondContact O-N 2.89Å; C193-L195 PolarHBondContact O-N 3.2Å; C193-L196 PolarHBondContact O-N 3.37Å; C193-W197 WeakPolarHBondContact O-CB 3.41Å; C193-W197 VanDerWaalsContact O-CD1 3.28Å; C193-W197 PolarHBondContact O-N 2.85Å |
| 194 | D | 98.7 | Very high | 97.3 | Very high | 4 Ų | 4 | 44.9 Ų | 44.9 | 2% | 0.021 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -60.1 | -42.1 | -177.2 | -61.5 | -20 | 0 | 0 | 0 | 112.8 | S168 G190 P191 L196 W197 S198 Y215 | S168-D194 VanDerWaalsContact CB-CB 3.44Å; S168-D194 WeakPolarHBondContact CB-OD2 3.41Å; S168-D194 PolarHBondContact OG-OD2 3.37Å; G190-D194 PolarHBondContact O-N 3.41Å; P191-D194 PolarHBondContact O-N 3.12Å; D194-L196 PolarHBondContact O-N 3.08Å; D194-W197 PolarHBondContact O-N 3.46Å; D194-S198 WeakPolarHBondContact CA-OG 3.36Å; D194-S198 WeakPolarHBondContact O-CB 3.39Å; D194-S198 PolarHBondContact O-N 3.42Å; D194-S198 PolarHBondContact O-OG 3.43Å; D194-Y215 WeakPolarHBondContact OD1-CD2 3.21Å; D194-Y215 VanDerWaalsContact OD1-CE2 3.31Å; D194-Y215 WeakPolarHBondContact OD1-CE2 3.32Å |
| 195 | L | 98.9 | Very high | 97.3 | Very high | 2 Ų | 2 | 41.7 Ų | 41.7 | 1% | 0.01 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -59 | -31.9 | 176.4 | -73 | 168.7 | 0 | 0 | 0 | 112.1 | L152 F161 V163 G165 G166 I171 I177 I180 P191 C193 | L152-L195 HydrophobicContact CB-CD1 4.28Å; L152-L195 HydrophobicContact CD1-CD1 4.22Å; F161-L195 HydrophobicContact CZ-CD2 4.41Å; V163-L195 HydrophobicContact CG2-CB 4.05Å; V163-L195 HydrophobicContact CG2-CD2 3.94Å; V163-L195 VanDerWaalsContact CG2-O 3.23Å; V163-L195 WeakPolarHBondContact CG2-O 3.35Å; G165-L195 CarbonylContact C-O 3.55Å; G165-L195 WeakPolarHBondContact CA-O 3.4Å; G165-L195 PolarHBondContact N-O 3.31Å; G166-L195 PolarHBondContact N-O 3.3Å; G166-L195 WeakPolarHBondContact O-CA 3.17Å; G166-L195 WeakPolarHBondContact O-CD2 3.49Å; I171-L195 HydrophobicContact CD1-CD1 3.77Å; I171-L195 HydrophobicContact CD1-CD2 3.91Å; I171-L195 HydrophobicContact CD1-CG 3.73Å; I177-L195 HydrophobicContact CD1-CD2 3.98Å; I177-L195 HydrophobicContact CG1-CD1 4.32Å; I177-L195 HydrophobicContact CG1-CD2 4.39Å; I177-L195 HydrophobicContact CG2-CD1 3.87Å; I180-L195 HydrophobicContact CD1-CD1 3.79Å; P191-L195 VanDerWaalsContact O-CG 3.25Å; P191-L195 WeakPolarHBondContact O-CG 3.48Å; P191-L195 PolarHBondContact O-N 3.41Å; C193-L195 PolarHBondContact O-N 3.2Å |
| 196 | L | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -93.7 | -20.5 | -177.3 | -57.1 | -177.8 | 0 | 0 | 0 | 113.3 | R112 N114 H164 V186 M192 C193 D194 | R112-L196 HydrophobicContact CB-CD2 4.34Å; R112-L196 HydrophobicContact CG-CD1 4.38Å; R112-L196 WeakPolarHBondContact O-CD2 2.98Å; N114-L196 HydrophobicContact CB-CB 4.16Å; H164-L196 HydrophobicContact CB-CD2 4.26Å; H164-L196 PolarHBondContact CD2-O 3.44Å; H164-L196 VanDerWaalsContact CD2-O 3.28Å; V186-L196 HydrophobicContact CB-CD1 4.49Å; V186-L196 HydrophobicContact CG1-CD1 3.92Å; V186-L196 HydrophobicContact CG2-CD1 3.66Å; M192-L196 WeakPolarHBondContact O-CG 3.21Å; C193-L196 PolarHBondContact O-N 3.37Å; D194-L196 PolarHBondContact O-N 3.08Å |
| 197 | W | 98.7 | Very high | 97.2 | Very high | 37 Ų | 37 | 45.1 Ų | 45.1 | 14% | 0.14 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -120.5 | -15.2 | -169.9 | -75.2 | 92.5 | 0 | 0 | 0 | 115.9 | N114 I120 C193 D194 R211 A213 H238 | N114-W197 HydrophobicContact CB-CD2 3.95Å; N114-W197 HydrophobicContact CB-CG 4.29Å; N114-W197 HydrophobicContact CB-CH2 4.49Å; N114-W197 HydrophobicContact CB-CZ2 3.82Å; N114-W197 WeakPolarHBondContact ND2-CH2 3.22Å; N114-W197 VanDerWaalsContact ND2-CZ2 3.34Å; N114-W197 WeakPolarHBondContact ND2-CZ2 3.1Å; I120-W197 HydrophobicContact CD1-CH2 3.98Å; I120-W197 HydrophobicContact CD1-CZ2 3.77Å; I120-W197 HydrophobicContact CG1-CZ2 4.12Å; C193-W197 WeakPolarHBondContact O-CB 3.41Å; C193-W197 VanDerWaalsContact O-CD1 3.28Å; C193-W197 PolarHBondContact O-N 2.85Å; D194-W197 PolarHBondContact O-N 3.46Å; W197-R211 HydrophobicContact CE3-CB 4Å; W197-R211 HydrophobicContact CZ3-CB 4.2Å; W197-A213 HydrophobicContact CB-CB 4.09Å; W197-A213 HydrophobicContact CD2-CB 3.78Å; W197-A213 HydrophobicContact CE3-CB 4.12Å; W197-A213 HydrophobicContact CG-CB 3.77Å; W197-H238 PolarHBondContact O-NE2 2.9Å |
| 198 | S | 98.7 | Very high | 97.1 | Very high | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 28% | 0.279 | C | S | . | . | trans | -76.3 | 147.4 | -172.4 | -58.6 | 0 | 0 | 0 | 0 | 112.6 | G165 G166 L167 D194 Y215 R236 | G165-S198 CarbonylContact C-O 3.51Å; G166-S198 PolarHBondContact N-O 3.48Å; L167-S198 VanDerWaalsContact O-CB 3.24Å; L167-S198 WeakPolarHBondContact O-CB 3.46Å; L167-S198 PolarHBondContact O-OG 3.15Å; L167-S198 VanDerWaalsContact O-OG 3.06Å; D194-S198 WeakPolarHBondContact CA-OG 3.36Å; D194-S198 WeakPolarHBondContact O-CB 3.39Å; D194-S198 PolarHBondContact O-N 3.42Å; D194-S198 PolarHBondContact O-OG 3.43Å; S198-Y215 CarbonylContact C-O 3.55Å; S198-Y215 WeakPolarHBondContact CA-O 3.14Å; S198-Y215 WeakPolarHBondContact CB-O 3.49Å; S198-Y215 PolarHBondContact OG-N 3.39Å; S198-R236 PolarHBondContact O-NH2 2.78Å | ||
| 199 | D | 98.7 | Very high | 97.2 | Very high | 4 Ų | 4 | 43.3 Ų | 43.3 | 2% | 0.021 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 145.6 | -175 | -81.6 | -32 | 0 | 0 | 0 | 113.5 | R211 Y215 L216 F217 R236 H238 Q239 | D199-R211 IonicContact OD1-NH2 2.81Å; D199-R211 PolarHBondContact OD1-NH2 3.46Å; D199-R211 IonicContact OD2-CZ 3.45Å; D199-R211 IonicContact OD2-NE 3.86Å; D199-R211 PolarHBondContact OD2-NE 2.79Å; D199-R211 IonicContact OD2-NH2 3.9Å; D199-R211 PolarHBondContact OD2-NH2 2.79Å; D199-Y215 PolarHBondContact N-O 3.41Å; D199-L216 HydrophobicContact CB-CD2 3.94Å; D199-L216 CarbonylContact O-C 3.54Å; D199-L216 VanDerWaalsContact O-CA 3.27Å; D199-L216 WeakPolarHBondContact O-CA 3.33Å; D199-F217 WeakPolarHBondContact O-CD1 3.12Å; D199-F217 WeakPolarHBondContact O-CE1 3.35Å; D199-F217 PolarHBondContact O-N 3.34Å; D199-R236 IonicContact OD1-CZ 2.69Å; D199-R236 IonicContact OD1-NH1 3.32Å; D199-R236 PolarHBondContact OD1-NH1 3.33Å; D199-R236 IonicContact OD1-NH2 3.84Å; D199-R236 PolarHBondContact OD1-NH2 3.34Å; D199-H238 IonicContact OD1-CD2 3.17Å; D199-H238 PolarHBondContact OD1-CD2 2.97Å; D199-H238 VanDerWaalsContact OD1-CD2 3.32Å; D199-Q239 WeakPolarHBondContact OD1-CG 3.48Å; D199-Q239 PolarHBondContact OD1-NE2 3.33Å; D199-Q239 PolarHBondContact OD2-NE2 3.1Å |
| 200 | P | 98.3 | Very high | 97.2 | Very high | 6 Ų | 6 | 42.9 Ų | 42.9 | 4% | 0.039 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 138.6 | 168.7 | 29.8 | -34.1 | 0 | 0 | 0 | 110.9 | F217 H248 F249 | P200-F217 WeakPolarHBondContact CA-O 3.21Å; P200-F217 HydrophobicContact CB-CD2 4.44Å; P200-F217 HydrophobicContact CB-CE2 3.81Å; P200-F217 HydrophobicContact CB-CZ 3.96Å; P200-F217 HydrophobicContact CG-CZ 4.35Å; P200-H248 HydrophobicContact CB-CB 4.45Å; P200-F249 HydrophobicContact CB-CE2 3.6Å; P200-F249 HydrophobicContact CB-CZ 3.74Å |
| 201 | E | 96.5 | Very high | 97 | Very high | 84 Ų | 84 | 46.3 Ų | 46.3 | 39% | 0.393 | 26% | 0.261 | S | S | . | . | trans | -138 | 145.5 | 174.9 | -176.6 | 62 | -103.7 | 0 | 0 | 111.2 | T203 L216 F217 F249 | E201-T203 HydrophobicContact CG-CG2 3.86Å; E201-T203 PolarHBondContact O-N 2.91Å; E201-L216 HydrophobicContact CB-CB 3.93Å; E201-L216 HydrophobicContact CB-CD1 4.17Å; E201-L216 HydrophobicContact CB-CD2 4.33Å; E201-L216 HydrophobicContact CB-CG 4.36Å; E201-L216 HydrophobicContact CG-CD1 4.07Å; E201-F217 PolarHBondContact N-O 2.89Å; E201-F217 VanDerWaalsContact N-O 3.11Å; E201-F249 WeakPolarHBondContact O-CE1 3.39Å; E201-F249 WeakPolarHBondContact O-CZ 3.45Å | ||
| 202 | E | 94.2 | Very high | 96.9 | Very high | 140 Ų | 140 | 47.5 Ų | 47.5 | 65% | 0.654 | 28% | 0.282 | S | S | * | . | S | Bend | trans | -74.9 | 55.3 | 177.9 | -66.2 | -67.4 | 171.1 | 0 | 0 | 111.7 | ||
| 203 | T | 90.6 | Very high | 96.8 | Very high | 68 Ų | 68 | 48 Ų | 48 | 42% | 0.417 | 29% | 0.287 | S | S | . | . | S | Bend | trans | -133.3 | 167.4 | 177.3 | 55.9 | 0 | 0 | 0 | 0 | 109.9 | E201 G218 | E201-T203 HydrophobicContact CG-CG2 3.86Å; E201-T203 PolarHBondContact O-N 2.91Å; T203-G218 WeakPolarHBondContact O-CA 3.29Å |
| 204 | A | 94.2 | Very high | 96.8 | Very high | 86 Ų | 86 | 48.6 Ų | 48.6 | 71% | 0.711 | 29% | 0.293 | S | S | * | . | S | Bend | trans | -94.7 | 141.3 | 176 | 0 | 0 | 0 | 0 | 0 | 111 | D220 | A204-D220 WeakPolarHBondContact CA-OD1 3.48Š|
| 205 | G | 97.7 | Very high | 96.7 | Very high | 17 Ų | 17 | 52.8 Ų | 52.8 | 18% | 0.175 | 31% | 0.309 | C | S | . | . | S | Bend | trans | 73.4 | -142.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | G218 D220 V221 | G205-G218 PolarHBondContact O-N 3.39Å; G205-D220 WeakPolarHBondContact CA-OD2 3.34Å; G205-D220 PolarHBondContact N-OD1 2.91Å; G205-D220 PolarHBondContact N-OD2 2.83Å; G205-V221 WeakPolarHBondContact O-CG2 3.5Å |
| 206 | W | 98.1 | Very high | 96.7 | Very high | 99 Ų | 99 | 53.8 Ų | 53.8 | 38% | 0.375 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 141.9 | -179.3 | -61.3 | 97 | 0 | 0 | 0 | 110.9 | L167 S168 P169 Y215 L216 F217 V221 | L167-W206 HydrophobicContact CB-CH2 3.65Å; L167-W206 HydrophobicContact CB-CZ3 4.18Å; S168-W206 WeakPolarHBondContact O-CH2 3.36Å; P169-W206 HydrophobicContact CB-CD2 3.9Å; P169-W206 HydrophobicContact CB-CE3 4.32Å; P169-W206 HydrophobicContact CB-CG 4.26Å; P169-W206 HydrophobicContact CB-CH2 4.48Å; P169-W206 HydrophobicContact CB-CZ2 4.07Å; P169-W206 HydrophobicContact CG-CD2 4.49Å; P169-W206 HydrophobicContact CG-CE3 4.48Å; P169-W206 VanDerWaalsContact N-CH2 3.25Å; W206-Y215 HydrophobicContact CE3-CG 4.36Å; W206-L216 CarbonylContact C-O 3.48Å; W206-L216 WeakPolarHBondContact CA-O 3.36Å; W206-F217 HydrophobicContact CE3-CB 3.87Å; W206-F217 HydrophobicContact CH2-CB 4.29Å; W206-F217 HydrophobicContact CZ3-CB 3.65Å; W206-V221 HydrophobicContact CD2-CG1 4.36Å; W206-V221 HydrophobicContact CD2-CG2 4.23Å; W206-V221 HydrophobicContact CG-CG2 4.41Å; W206-V221 HydrophobicContact CH2-CG1 3.54Å; W206-V221 HydrophobicContact CZ2-CB 4.41Å; W206-V221 HydrophobicContact CZ2-CG1 3.2Å; W206-V221 HydrophobicContact CZ2-CG2 4.34Å; W206-V221 HydrophobicContact CZ3-CG1 4.25Å |
| 207 | G | 97.2 | Very high | 96.7 | Very high | 22 Ų | 22 | 53.8 Ų | 53.8 | 23% | 0.227 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 164.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y215 L216 | G207-Y215 WeakPolarHBondContact O-CA 2.88Å; G207-Y215 WeakPolarHBondContact O-CD1 3.41Å; G207-L216 PolarHBondContact N-O 3.35Å; G207-L216 PolarHBondContact O-N 3.03Å |
| 208 | V | 95.7 | Very high | 96.7 | Very high | 131 Ų | 131 | 52 Ų | 52 | 79% | 0.794 | 31% | 0.308 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 127.6 | 174.6 | 179.4 | 0 | 0 | 0 | 0 | 109 | ||
| 209 | S | 96.7 | Very high | 96.7 | Very high | 5 Ų | 5 | 54.5 Ų | 54.5 | 4% | 0.035 | 33% | 0.325 | C | S | . | . | trans | -68.1 | 131.4 | 176.6 | 175.7 | 0 | 0 | 0 | 0 | 111.4 | R211 G212 A213 G214 | S209-R211 PolarHBondContact O-N 3.44Å; S209-R211 WeakPolarHBondContact OG-CB 3.13Å; S209-R211 PolarHBondContact OG-N 2.96Å; S209-R211 VanDerWaalsContact OG-N 3.17Å; S209-G212 PolarHBondContact O-N 3.34Å; S209-A213 WeakPolarHBondContact CB-O 3.41Å; S209-A213 PolarHBondContact OG-O 2.87Å; S209-G214 WeakPolarHBondContact CB-O 3.15Å | ||
| 210 | P | 95.5 | Very high | 96.6 | Very high | 116 Ų | 116 | 58 Ų | 58 | 75% | 0.753 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.3 | -10.5 | 173.2 | 30.6 | -35.3 | 0 | 0 | 0 | 112.6 | G212 | P210-G212 PolarHBondContact O-N 3.24Š|
| 211 | R | 94.8 | Very high | 96.6 | Very high | 96 Ų | 96 | 58.5 Ų | 58.5 | 36% | 0.362 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.3 | -13.5 | 177.2 | -55.7 | -175.8 | -178.5 | -106.9 | 14 | 113.2 | W197 D199 S209 A213 H238 Q239 | W197-R211 HydrophobicContact CE3-CB 4Å; W197-R211 HydrophobicContact CZ3-CB 4.2Å; D199-R211 IonicContact OD1-NH2 2.81Å; D199-R211 PolarHBondContact OD1-NH2 3.46Å; D199-R211 IonicContact OD2-CZ 3.45Å; D199-R211 IonicContact OD2-NE 3.86Å; D199-R211 PolarHBondContact OD2-NE 2.79Å; D199-R211 IonicContact OD2-NH2 3.9Å; D199-R211 PolarHBondContact OD2-NH2 2.79Å; S209-R211 PolarHBondContact O-N 3.44Å; S209-R211 WeakPolarHBondContact OG-CB 3.13Å; S209-R211 PolarHBondContact OG-N 2.96Å; S209-R211 VanDerWaalsContact OG-N 3.17Å; R211-A213 PolarHBondContact O-N 2.98Å; R211-H238 WeakPolarHBondContact CD-NE2 3.43Å; R211-H238 PolarHBondContact NE-NE2 3.46Å; R211-H238 VanDerWaalsContact NE-NE2 3.14Å; R211-H238 PolarHBondContact NH1-NE2 2.95Å; R211-H238 PolarHBondContact NH2-CD2 3.09Å; R211-H238 PolarHBondContact NH2-NE2 3.26Å; R211-H238 PolarHBondContact NH2-O 3.35Å; R211-Q239 VanDerWaalsContact NH2-CG 3.3Å |
| 212 | G | 94.9 | Very high | 96.7 | Very high | 73 Ų | 73 | 54.5 Ų | 54.5 | 75% | 0.753 | 33% | 0.328 | S | S | * | . | S | Bend | trans | 77.6 | 6 | -172.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | S209 P210 | S209-G212 PolarHBondContact O-N 3.34Å; P210-G212 PolarHBondContact O-N 3.24Å |
| 213 | A | 97.1 | Very high | 96.9 | Very high | 17 Ų | 17 | 50.4 Ų | 50.4 | 14% | 0.14 | 32% | 0.318 | C | S | . | . | S | Bend | trans | -148.9 | 149.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | W197 S209 R211 | W197-A213 HydrophobicContact CB-CB 4.09Å; W197-A213 HydrophobicContact CD2-CB 3.78Å; W197-A213 HydrophobicContact CE3-CB 4.12Å; W197-A213 HydrophobicContact CG-CB 3.77Å; S209-A213 WeakPolarHBondContact CB-O 3.41Å; S209-A213 PolarHBondContact OG-O 2.87Å; R211-A213 PolarHBondContact O-N 2.98Å |
| 214 | G | 97.8 | Very high | 97.3 | Very high | 13 Ų | 13 | 52.2 Ų | 52.2 | 13% | 0.134 | 33% | 0.325 | C | S | . | . | S | Bend | trans | 67.9 | -166.1 | -174 | 0 | 0 | 0 | 0 | 0 | 114.1 | S209 | S209-G214 WeakPolarHBondContact CB-O 3.15Š|
| 215 | Y | 98.2 | Very high | 97.5 | Very high | 92 Ų | 92 | 48.6 Ų | 48.6 | 36% | 0.361 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 161.1 | -176.9 | -67.5 | -94.6 | 0 | 0 | 0 | 112.1 | P169 D194 S198 D199 W206 G207 | P169-Y215 VanDerWaalsContact CD-CD2 3.43Å; P169-Y215 HydrophobicContact CG-CD1 4.24Å; P169-Y215 HydrophobicContact CG-CD2 3.72Å; P169-Y215 HydrophobicContact CG-CE1 4.08Å; P169-Y215 HydrophobicContact CG-CE2 3.55Å; P169-Y215 HydrophobicContact CG-CG 4.08Å; D194-Y215 WeakPolarHBondContact OD1-CD2 3.21Å; D194-Y215 VanDerWaalsContact OD1-CE2 3.31Å; D194-Y215 WeakPolarHBondContact OD1-CE2 3.32Å; S198-Y215 CarbonylContact C-O 3.55Å; S198-Y215 WeakPolarHBondContact CA-O 3.14Å; S198-Y215 WeakPolarHBondContact CB-O 3.49Å; S198-Y215 PolarHBondContact OG-N 3.39Å; D199-Y215 PolarHBondContact N-O 3.41Å; W206-Y215 HydrophobicContact CE3-CG 4.36Å; G207-Y215 WeakPolarHBondContact O-CA 2.88Å; G207-Y215 WeakPolarHBondContact O-CD1 3.41Å |
| 216 | L | 98.6 | Very high | 97.5 | Very high | 24 Ų | 24 | 48.3 Ų | 48.3 | 13% | 0.126 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 139.7 | 159.1 | -57.2 | 179.3 | 0 | 0 | 0 | 108.7 | D199 E201 W206 G207 | D199-L216 HydrophobicContact CB-CD2 3.94Å; D199-L216 CarbonylContact O-C 3.54Å; D199-L216 VanDerWaalsContact O-CA 3.27Å; D199-L216 WeakPolarHBondContact O-CA 3.33Å; E201-L216 HydrophobicContact CB-CB 3.93Å; E201-L216 HydrophobicContact CB-CD1 4.17Å; E201-L216 HydrophobicContact CB-CD2 4.33Å; E201-L216 HydrophobicContact CB-CG 4.36Å; E201-L216 HydrophobicContact CG-CD1 4.07Å; W206-L216 CarbonylContact C-O 3.48Å; W206-L216 WeakPolarHBondContact CA-O 3.36Å; G207-L216 PolarHBondContact N-O 3.35Å; G207-L216 PolarHBondContact O-N 3.03Å |
| 217 | F | 98.7 | Very high | 97.5 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 134.4 | 176.6 | 58.2 | -91.4 | 0 | 0 | 0 | 112.2 | L167 D199 P200 E201 W206 V221 V222 F249 V253 | L167-F217 HydrophobicContact CB-CD1 4.42Å; L167-F217 HydrophobicContact CB-CG 4.38Å; L167-F217 HydrophobicContact CD1-CD2 4.4Å; D199-F217 WeakPolarHBondContact O-CD1 3.12Å; D199-F217 WeakPolarHBondContact O-CE1 3.35Å; D199-F217 PolarHBondContact O-N 3.34Å; P200-F217 WeakPolarHBondContact CA-O 3.21Å; P200-F217 HydrophobicContact CB-CD2 4.44Å; P200-F217 HydrophobicContact CB-CE2 3.81Å; P200-F217 HydrophobicContact CB-CZ 3.96Å; P200-F217 HydrophobicContact CG-CZ 4.35Å; E201-F217 PolarHBondContact N-O 2.89Å; E201-F217 VanDerWaalsContact N-O 3.11Å; W206-F217 HydrophobicContact CE3-CB 3.87Å; W206-F217 HydrophobicContact CH2-CB 4.29Å; W206-F217 HydrophobicContact CZ3-CB 3.65Å; F217-V221 HydrophobicContact CB-CB 4.33Å; F217-V221 HydrophobicContact CB-CG1 4.12Å; F217-V222 HydrophobicContact CD2-CG2 3.59Å; F217-V222 HydrophobicContact CE2-CG2 3.79Å; F217-F249 HydrophobicContact CD2-CE2 4.28Å; F217-F249 HydrophobicContact CE2-CE2 4.33Å; F217-F249 VanDerWaalsContact O-CZ 3.3Å; F217-F249 WeakPolarHBondContact O-CZ 3.19Å; F217-V253 HydrophobicContact CE2-CG2 4.39Å |
| 218 | G | 98.4 | Very high | 97.6 | Very high | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 32% | 0.319 | C | S | . | . | trans | -88.2 | 171.9 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | T203 G205 D220 V221 V222 | T203-G218 WeakPolarHBondContact O-CA 3.29Å; G205-G218 PolarHBondContact O-N 3.39Å; G218-D220 VanDerWaalsContact C-N 3.27Å; G218-D220 PolarHBondContact O-N 3.42Å; G218-V221 WeakPolarHBondContact O-CB 3.35Å; G218-V221 PolarHBondContact O-N 3.22Å; G218-V222 PolarHBondContact O-N 3.41Å | ||
| 219 | S | 98 | Very high | 97.7 | Very high | 52 Ų | 52 | 49.8 Ų | 49.8 | 36% | 0.364 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -58.2 | -33.4 | 178.3 | 63.3 | 0 | 0 | 0 | 0 | 114.3 | V222 A223 | S219-V222 PolarHBondContact O-N 2.66Å; S219-A223 WeakPolarHBondContact O-CB 3.43Å; S219-A223 PolarHBondContact O-N 3.5Å |
| 220 | D | 98 | Very high | 97.8 | Very high | 76 Ų | 76 | 59.8 Ų | 59.8 | 41% | 0.406 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -70.7 | -37.1 | 178.3 | 60 | -60.5 | 0 | 0 | 0 | 112.3 | A204 G205 G218 A223 N224 | A204-D220 WeakPolarHBondContact CA-OD1 3.48Å; G205-D220 WeakPolarHBondContact CA-OD2 3.34Å; G205-D220 PolarHBondContact N-OD1 2.91Å; G205-D220 PolarHBondContact N-OD2 2.83Å; G218-D220 VanDerWaalsContact C-N 3.27Å; G218-D220 PolarHBondContact O-N 3.42Å; D220-A223 PolarHBondContact O-N 2.93Å; D220-N224 WeakPolarHBondContact O-CB 3.4Å; D220-N224 PolarHBondContact O-N 2.93Å |
| 221 | V | 98.4 | Very high | 97.9 | Very high | 17 Ų | 17 | 54.8 Ų | 54.8 | 10% | 0.103 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -62.4 | -47.3 | 173.5 | 176 | 0 | 0 | 0 | 0 | 110 | L167 G205 W206 F217 G218 N224 F225 | L167-V221 HydrophobicContact CD1-CG1 3.95Å; G205-V221 WeakPolarHBondContact O-CG2 3.5Å; W206-V221 HydrophobicContact CD2-CG1 4.36Å; W206-V221 HydrophobicContact CD2-CG2 4.23Å; W206-V221 HydrophobicContact CG-CG2 4.41Å; W206-V221 HydrophobicContact CH2-CG1 3.54Å; W206-V221 HydrophobicContact CZ2-CB 4.41Å; W206-V221 HydrophobicContact CZ2-CG1 3.2Å; W206-V221 HydrophobicContact CZ2-CG2 4.34Å; W206-V221 HydrophobicContact CZ3-CG1 4.25Å; F217-V221 HydrophobicContact CB-CB 4.33Å; F217-V221 HydrophobicContact CB-CG1 4.12Å; G218-V221 WeakPolarHBondContact O-CB 3.35Å; G218-V221 PolarHBondContact O-N 3.22Å; V221-N224 PolarHBondContact O-N 3.03Å; V221-F225 WeakPolarHBondContact O-CB 3.47Å; V221-F225 PolarHBondContact O-N 3.35Å |
| 222 | V | 98.5 | Very high | 98.1 | Very high | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -63.1 | -46.8 | 178.2 | 176 | 0 | 0 | 0 | 0 | 111.1 | L167 F217 G218 S219 N224 F225 N226 I234 F249 V253 | L167-V222 HydrophobicContact CD1-CG2 4.12Å; F217-V222 HydrophobicContact CD2-CG2 3.59Å; F217-V222 HydrophobicContact CE2-CG2 3.79Å; G218-V222 PolarHBondContact O-N 3.41Å; S219-V222 PolarHBondContact O-N 2.66Å; V222-N224 VanDerWaalsContact C-N 3.31Å; V222-N224 PolarHBondContact O-N 3.32Å; V222-F225 PolarHBondContact O-N 3.01Å; V222-N226 WeakPolarHBondContact O-CB 3.46Å; V222-N226 PolarHBondContact O-N 2.9Å; V222-I234 HydrophobicContact CG1-CD1 4.15Å; V222-F249 HydrophobicContact CB-CD2 4.36Å; V222-F249 HydrophobicContact CG2-CD2 3.82Å; V222-F249 HydrophobicContact CG2-CE2 3.92Å; V222-V253 HydrophobicContact CB-CG2 4.27Å; V222-V253 HydrophobicContact CG1-CG2 3.63Å; V222-V253 HydrophobicContact CG2-CG2 3.68Å |
| 223 | A | 98 | Very high | 98.3 | Very high | 54 Ų | 54 | 50.6 Ų | 50.6 | 45% | 0.446 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -57.9 | -44.7 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | S219 D220 Q227 | S219-A223 WeakPolarHBondContact O-CB 3.43Å; S219-A223 PolarHBondContact O-N 3.5Å; D220-A223 PolarHBondContact O-N 2.93Å; A223-Q227 VanDerWaalsContact O-CB 3.27Å; A223-Q227 WeakPolarHBondContact O-CB 3.46Å; A223-Q227 PolarHBondContact O-N 3.14Å |
| 224 | N | 98.1 | Very high | 98.4 | Very high | 106 Ų | 106 | 49.8 Ų | 49.8 | 57% | 0.567 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -65.5 | -46.4 | 177.8 | -169.9 | 17.2 | 0 | 0 | 0 | 111.8 | D220 V221 V222 N226 Q227 L228 | D220-N224 WeakPolarHBondContact O-CB 3.4Å; D220-N224 PolarHBondContact O-N 2.93Å; V221-N224 PolarHBondContact O-N 3.03Å; V222-N224 VanDerWaalsContact C-N 3.31Å; V222-N224 PolarHBondContact O-N 3.32Å; N224-N226 PolarHBondContact O-N 2.92Å; N224-Q227 PolarHBondContact O-N 3.03Å; N224-L228 VanDerWaalsContact O-CB 3.29Å; N224-L228 WeakPolarHBondContact O-CB 3.06Å; N224-L228 PolarHBondContact O-N 3.24Å |
| 225 | F | 98.7 | Very high | 98.4 | Very high | 10 Ų | 10 | 49.2 Ų | 49.2 | 4% | 0.044 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -60.8 | -47.2 | 178.2 | -174.6 | -88.9 | 0 | 0 | 0 | 111.9 | F161 L167 I171 T172 L174 V221 V222 L228 N229 I234 | F161-F225 AromaticContact CD1-CE1 3.85Å; F161-F225 HydrophobicContact CD1-CE1 3.85Å; F161-F225 HydrophobicContact CD1-CZ 4.33Å; F161-F225 HydrophobicContact CE1-CE1 4.18Å; F161-F225 HydrophobicContact CE1-CZ 4.25Å; F161-F225 HydrophobicContact CG-CE1 4.37Å; L167-F225 HydrophobicContact CD1-CB 3.87Å; L167-F225 HydrophobicContact CD1-CD1 4.44Å; L167-F225 HydrophobicContact CD1-CG 4.04Å; L167-F225 HydrophobicContact CD2-CD1 3.77Å; L167-F225 HydrophobicContact CD2-CD2 3.91Å; L167-F225 HydrophobicContact CD2-CE1 3.84Å; L167-F225 HydrophobicContact CD2-CE2 3.98Å; L167-F225 HydrophobicContact CD2-CG 3.8Å; L167-F225 HydrophobicContact CD2-CZ 3.94Å; I171-F225 HydrophobicContact CG2-CE2 4.37Å; T172-F225 WeakPolarHBondContact O-CD2 3.09Å; L174-F225 HydrophobicContact CD2-CE1 4.39Å; L174-F225 HydrophobicContact CD2-CZ 4.01Å; V221-F225 WeakPolarHBondContact O-CB 3.47Å; V221-F225 PolarHBondContact O-N 3.35Å; V222-F225 PolarHBondContact O-N 3.01Å; F225-L228 PolarHBondContact O-N 2.99Å; F225-N229 WeakPolarHBondContact O-CB 3.47Å; F225-N229 PolarHBondContact O-N 3.1Å; F225-N229 PolarHBondContact O-ND2 3.33Å; F225-I234 HydrophobicContact CD1-CD1 4.26Å |
| 226 | N | 98.6 | Very high | 98.5 | Very high | 12 Ų | 12 | 44.8 Ų | 44.8 | 6% | 0.064 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -64.2 | -43.8 | -179.9 | -75.4 | 0.4 | 0 | 0 | 0 | 111.5 | V222 N224 N229 R230 I231 I234 S252 | V222-N226 WeakPolarHBondContact O-CB 3.46Å; V222-N226 PolarHBondContact O-N 2.9Å; N224-N226 PolarHBondContact O-N 2.92Å; N226-N229 PolarHBondContact O-N 3.33Å; N226-R230 WeakPolarHBondContact O-CA 3.27Å; N226-R230 PolarHBondContact O-N 3.12Å; N226-I231 HydrophobicContact CB-CB 4.36Å; N226-I231 WeakPolarHBondContact CB-O 3.38Å; N226-I231 PolarHBondContact O-N 3.4Å; N226-I234 WeakPolarHBondContact OD1-CG1 3.48Å; N226-S252 PolarHBondContact ND2-O 2.96Å |
| 227 | Q | 98.4 | Very high | 98.5 | Very high | 156 Ų | 156 | 43.7 Ų | 43.7 | 73% | 0.729 | 22% | 0.223 | S | C | * | . | H | α-helix | trans | -62.1 | -47 | 177.1 | -176.6 | 179.5 | 5.2 | 0 | 0 | 111.8 | A223 N224 N229 R230 | A223-Q227 VanDerWaalsContact O-CB 3.27Å; A223-Q227 WeakPolarHBondContact O-CB 3.46Å; A223-Q227 PolarHBondContact O-N 3.14Å; N224-Q227 PolarHBondContact O-N 3.03Å; Q227-N229 VanDerWaalsContact C-N 3.34Å; Q227-N229 PolarHBondContact O-N 2.99Å; Q227-R230 PolarHBondContact O-N 3.03Å |
| 228 | L | 98.4 | Very high | 98.5 | Very high | 97 Ų | 97 | 44 Ų | 44 | 51% | 0.508 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -63.9 | -40.4 | -178.1 | -178.4 | 58.8 | 0 | 0 | 0 | 111.9 | T172 T173 N224 F225 | T172-L228 WeakPolarHBondContact O-CD2 3.2Å; T173-L228 HydrophobicContact CG2-CD2 3.92Å; T173-L228 HydrophobicContact CG2-CG 4.3Å; N224-L228 VanDerWaalsContact O-CB 3.29Å; N224-L228 WeakPolarHBondContact O-CB 3.06Å; N224-L228 PolarHBondContact O-N 3.24Å; F225-L228 PolarHBondContact O-N 2.99Å |
| 229 | N | 98.7 | Very high | 98.5 | Very high | 29 Ų | 29 | 46.2 Ų | 46.2 | 16% | 0.155 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -93.9 | -0 | -177.2 | -65.6 | -79.8 | 0 | 0 | 0 | 114 | T172 T173 L174 F225 N226 Q227 I231 | T172-N229 PolarHBondContact O-ND2 2.9Å; T173-N229 WeakPolarHBondContact CA-OD1 3.47Å; L174-N229 HydrophobicContact CG-CB 4.28Å; L174-N229 PolarHBondContact N-OD1 2.56Å; F225-N229 WeakPolarHBondContact O-CB 3.47Å; F225-N229 PolarHBondContact O-N 3.1Å; F225-N229 PolarHBondContact O-ND2 3.33Å; N226-N229 PolarHBondContact O-N 3.33Å; Q227-N229 VanDerWaalsContact C-N 3.34Å; Q227-N229 PolarHBondContact O-N 2.99Å; N229-I231 VanDerWaalsContact C-N 3.3Å; N229-I231 HydrophobicContact CB-CG1 3.71Å; N229-I231 PolarHBondContact O-N 3.16Å |
| 230 | R | 98.4 | Very high | 98.4 | Very high | 216 Ų | 216 | 47 Ų | 47 | 82% | 0.815 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56.1 | 42.2 | -176.7 | -53.1 | 178.4 | -177.4 | 176.1 | 0.9 | 113.1 | N226 Q227 | N226-R230 WeakPolarHBondContact O-CA 3.27Å; N226-R230 PolarHBondContact O-N 3.12Å; Q227-R230 PolarHBondContact O-N 3.03Å |
| 231 | I | 98.4 | Very high | 98.4 | Very high | 11 Ų | 11 | 43.7 Ų | 43.7 | 6% | 0.056 | 22% | 0.217 | C | C | . | . | trans | -94.4 | 134.6 | 179.3 | -59.9 | -56.7 | 0 | 0 | 0 | 109.2 | I155 R159 F161 L174 N226 N229 F233 | I155-I231 HydrophobicContact CD1-CD1 3.36Å; R159-I231 CarbonylContact O-C 3.57Å; R159-I231 WeakPolarHBondContact O-CA 3.34Å; R159-I231 WeakPolarHBondContact O-CG2 3.27Å; F161-I231 HydrophobicContact CB-CD1 4.24Å; F161-I231 HydrophobicContact CB-CG1 4.22Å; F161-I231 HydrophobicContact CB-CG2 3.86Å; L174-I231 HydrophobicContact CD1-CD1 4.17Å; N226-I231 HydrophobicContact CB-CB 4.36Å; N226-I231 WeakPolarHBondContact CB-O 3.38Å; N226-I231 PolarHBondContact O-N 3.4Å; N229-I231 VanDerWaalsContact C-N 3.3Å; N229-I231 HydrophobicContact CB-CG1 3.71Å; N229-I231 PolarHBondContact O-N 3.16Å; I231-F233 WeakPolarHBondContact CG2-O 3.49Å | ||
| 232 | D | 98.3 | Very high | 98.4 | Very high | 76 Ų | 76 | 47.2 Ų | 47.2 | 41% | 0.406 | 23% | 0.234 | S | C | . | . | S | Bend | trans | -70.5 | -48.4 | 176.5 | -68.5 | -13.7 | 0 | 0 | 0 | 109.9 | R159 | R159-D232 IonicContact CZ-OD1 3.28Å; R159-D232 IonicContact CZ-OD2 2.88Å; R159-D232 IonicContact NE-OD1 3.55Å; R159-D232 PolarHBondContact NE-OD1 2.98Å; R159-D232 IonicContact NE-OD2 3.01Å; R159-D232 PolarHBondContact NE-OD2 3.16Å; R159-D232 IonicContact NH1-OD2 2.91Å; R159-D232 IonicContact NH2-OD1 2.73Å; R159-D232 PolarHBondContact NH2-OD1 2.82Å; R159-D232 IonicContact NH2-OD2 3.85Å; R159-D232 PolarHBondContact NH2-OD2 3.16Å; R159-D232 VanDerWaalsContact NH2-OD2 3.09Å; R159-D232 PolarHBondContact O-N 3.34Å |
| 233 | F | 98.7 | Very high | 98.3 | Very high | 5 Ų | 5 | 52.7 Ų | 52.7 | 2% | 0.022 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.9 | 164.7 | 173.3 | 69.8 | -79.8 | 0 | 0 | 0 | 111.6 | I160 F161 I231 C235 W247 S252 L254 K281 | I160-F233 HydrophobicContact CB-CE1 4.26Å; I160-F233 HydrophobicContact CB-CZ 4.34Å; I160-F233 HydrophobicContact CD1-CE1 3.5Å; I160-F233 VanDerWaalsContact CD1-CE1 3.5Å; I160-F233 HydrophobicContact CD1-CZ 3.71Å; I160-F233 HydrophobicContact CG1-CD1 4.11Å; I160-F233 HydrophobicContact CG1-CE1 3.49Å; I160-F233 VanDerWaalsContact CG1-CE1 3.49Å; I160-F233 HydrophobicContact CG1-CZ 3.94Å; I160-F233 HydrophobicContact CG2-CD1 4.33Å; I160-F233 HydrophobicContact CG2-CD2 4.2Å; I160-F233 HydrophobicContact CG2-CE1 3.82Å; I160-F233 HydrophobicContact CG2-CE2 3.69Å; I160-F233 HydrophobicContact CG2-CZ 3.48Å; I160-F233 VanDerWaalsContact CG2-CZ 3.48Å; F161-F233 PolarHBondContact N-O 3.22Å; I231-F233 WeakPolarHBondContact CG2-O 3.49Å; F233-C235 HydrophobicContact CD2-CB 4.49Å; F233-C235 HydrophobicContact CE2-CB 3.92Å; F233-W247 HydrophobicContact CB-CZ3 4.17Å; F233-W247 HydrophobicContact CD1-CH2 4.35Å; F233-W247 AromaticContact CD2-CH2 3.63Å; F233-W247 HydrophobicContact CD2-CH2 3.63Å; F233-W247 AromaticContact CD2-CZ3 3.57Å; F233-W247 HydrophobicContact CD2-CZ3 3.57Å; F233-W247 HydrophobicContact CE1-CH2 4.43Å; F233-W247 AromaticContact CE2-CH2 3.72Å; F233-W247 HydrophobicContact CE2-CH2 3.72Å; F233-W247 HydrophobicContact CE2-CZ3 4.1Å; F233-W247 AromaticContact CG-CH2 3.97Å; F233-W247 HydrophobicContact CG-CH2 3.97Å; F233-W247 AromaticContact CG-CZ3 3.9Å; F233-W247 HydrophobicContact CG-CZ3 3.9Å; F233-W247 HydrophobicContact CZ-CH2 4.13Å; F233-S252 WeakPolarHBondContact CA-O 3.26Å; F233-S252 WeakPolarHBondContact CB-O 3.29Å; F233-L254 HydrophobicContact CD2-CB 4.13Å; F233-L254 HydrophobicContact CE2-CB 4.06Å; F233-L254 HydrophobicContact CE2-CD2 4.14Å; F233-K281 HydrophobicContact CE1-CD 4.43Å; F233-K281 HydrophobicContact CZ-CD 4.38Å |
| 234 | I | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 130.4 | 173.9 | -56 | 175.9 | 0 | 0 | 0 | 109.1 | F161 V163 L167 V222 F225 N226 S252 V253 L254 | F161-I234 HydrophobicContact CD1-CD1 4.45Å; F161-I234 HydrophobicContact CD1-CG1 4.16Å; F161-I234 HydrophobicContact CD1-CG2 4.01Å; F161-I234 CarbonylContact O-C 3.44Å; F161-I234 VanDerWaalsContact O-CA 3.31Å; F161-I234 WeakPolarHBondContact O-CA 3.45Å; V163-I234 HydrophobicContact CG1-CG2 4.19Å; L167-I234 HydrophobicContact CD1-CD1 3.83Å; L167-I234 HydrophobicContact CD2-CD1 3.73Å; L167-I234 HydrophobicContact CG-CD1 3.89Å; V222-I234 HydrophobicContact CG1-CD1 4.15Å; F225-I234 HydrophobicContact CD1-CD1 4.26Å; N226-I234 WeakPolarHBondContact OD1-CG1 3.48Å; I234-S252 PolarHBondContact N-O 2.87Å; I234-V253 HydrophobicContact CB-CG1 4.34Å; I234-V253 HydrophobicContact CB-CG2 4.26Å; I234-V253 HydrophobicContact CD1-CG2 4.46Å; I234-V253 CarbonylContact O-C 3.48Å; I234-V253 VanDerWaalsContact O-CA 3.3Å; I234-V253 WeakPolarHBondContact O-CA 3.33Å; I234-L254 PolarHBondContact O-N 3.45Å |
| 235 | C | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 120.4 | 172.7 | -169.8 | 0 | 0 | 0 | 0 | 109.4 | I160 F161 C162 V163 F233 L254 | I160-C235 HydrophobicContact CG2-CB 3.98Å; F161-C235 PolarHBondContact O-N 2.78Å; C162-C235 VanDerWaalsContact CA-O 3.24Å; C162-C235 WeakPolarHBondContact CA-O 3.48Å; V163-C235 PolarHBondContact N-O 3.37Å; V163-C235 VanDerWaalsContact N-O 3.13Å; F233-C235 HydrophobicContact CD2-CB 4.49Å; F233-C235 HydrophobicContact CE2-CB 3.92Å; C235-L254 CarbonylContact C-O 3.56Å; C235-L254 WeakPolarHBondContact CA-O 2.98Å |
| 236 | R | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 173 | -173.8 | 69.2 | 84.2 | 57.2 | 157.1 | 12.8 | 113.2 | V163 H164 G165 S198 D199 H238 Q239 V253 L254 T255 V256 | V163-R236 HydrophobicContact CG1-CB 4.22Å; V163-R236 WeakPolarHBondContact O-CA 3.24Å; V163-R236 VanDerWaalsContact O-CB 3.23Å; V163-R236 WeakPolarHBondContact O-CB 3.35Å; H164-R236 PolarHBondContact O-NE 3.01Å; G165-R236 VanDerWaalsContact C-NH2 3.31Å; G165-R236 PolarHBondContact O-NE 3.22Å; G165-R236 PolarHBondContact O-NH2 3.45Å; S198-R236 PolarHBondContact O-NH2 2.78Å; D199-R236 IonicContact OD1-CZ 2.69Å; D199-R236 IonicContact OD1-NH1 3.32Å; D199-R236 PolarHBondContact OD1-NH1 3.33Å; D199-R236 IonicContact OD1-NH2 3.84Å; D199-R236 PolarHBondContact OD1-NH2 3.34Å; R236-H238 PolarHBondContact NH2-CD2 2.99Å; R236-Q239 VanDerWaalsContact NH1-CG 3.29Å; R236-Q239 VanDerWaalsContact NH1-OE1 3.17Å; R236-V253 HydrophobicContact CG-CG1 3.83Å; R236-L254 PolarHBondContact N-O 3.49Å; R236-T255 VanDerWaalsContact CD-OG1 3.26Å; R236-T255 WeakPolarHBondContact CD-OG1 3.31Å; R236-T255 CarbonylContact O-C 3.53Å; R236-T255 VanDerWaalsContact O-CA 3.28Å; R236-T255 WeakPolarHBondContact O-CA 3.48Å; R236-V256 PolarHBondContact O-N 2.92Å |
| 237 | A | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 26% | 0.257 | C | S | . | . | trans | -126.9 | -126.9 | -177.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | D54 L80 H164 Q239 V256 | D54-A237 WeakPolarHBondContact OD1-CB 3.43Å; L80-A237 HydrophobicContact CB-CB 3.81Å; L80-A237 HydrophobicContact CD1-CB 4.12Å; H164-A237 CarbonylContact O-C 3.12Å; H164-A237 PolarHBondContact O-N 3.41Å; A237-Q239 PolarHBondContact O-N 3.04Å; A237-V256 WeakPolarHBondContact CA-O 3.44Å; A237-V256 WeakPolarHBondContact CB-O 3.3Å | ||
| 238 | H | 98.7 | Very high | 98.3 | Very high | 8 Ų | 8 | 50.7 Ų | 50.7 | 4% | 0.037 | 23% | 0.226 | C | C | . | . | S | Bend | trans | 65.6 | -25.7 | 163.5 | -171.4 | 63.4 | 0 | 0 | 0 | 118.8 | D54 N114 H164 W197 D199 R211 R236 | D54-H238 PolarHBondContact OD1-N 2.89Å; D54-H238 WeakPolarHBondContact OD2-CA 3.42Å; D54-H238 PolarHBondContact OD2-N 3.44Å; N114-H238 VanDerWaalsContact CG-CE1 3.49Å; N114-H238 PolarHBondContact OD1-CE1 2.95Å; N114-H238 PolarHBondContact OD1-ND1 3.15Å; H164-H238 AromaticContact CD2-ND1 3.76Å; H164-H238 WeakPolarHBondContact NE2-CB 3.37Å; H164-H238 AromaticContact NE2-CG 3.58Å; H164-H238 AromaticContact NE2-ND1 3.09Å; H164-H238 PolarHBondContact NE2-ND1 3.09Å; H164-H238 WeakPolarHBondContact O-CB 3.25Å; W197-H238 PolarHBondContact O-NE2 2.9Å; D199-H238 IonicContact OD1-CD2 3.17Å; D199-H238 PolarHBondContact OD1-CD2 2.97Å; D199-H238 VanDerWaalsContact OD1-CD2 3.32Å; R211-H238 WeakPolarHBondContact CD-NE2 3.43Å; R211-H238 PolarHBondContact NE-NE2 3.46Å; R211-H238 VanDerWaalsContact NE-NE2 3.14Å; R211-H238 PolarHBondContact NH1-NE2 2.95Å; R211-H238 PolarHBondContact NH2-CD2 3.09Å; R211-H238 PolarHBondContact NH2-NE2 3.26Å; R211-H238 PolarHBondContact NH2-O 3.35Å; R236-H238 PolarHBondContact NH2-CD2 2.99Å |
| 239 | Q | 98 | Very high | 98.2 | Very high | 45 Ų | 45 | 46.6 Ų | 46.6 | 21% | 0.21 | 20% | 0.204 | C | C | . | . | S | Bend | trans | -109.3 | 122.5 | 174.1 | -84.4 | 176.6 | -33.5 | 0 | 0 | 110.2 | D199 R211 R236 A237 V241 T255 W257 | D199-Q239 WeakPolarHBondContact OD1-CG 3.48Å; D199-Q239 PolarHBondContact OD1-NE2 3.33Å; D199-Q239 PolarHBondContact OD2-NE2 3.1Å; R211-Q239 VanDerWaalsContact NH2-CG 3.3Å; R236-Q239 VanDerWaalsContact NH1-CG 3.29Å; R236-Q239 VanDerWaalsContact NH1-OE1 3.17Å; A237-Q239 PolarHBondContact O-N 3.04Å; Q239-V241 PolarHBondContact O-N 2.73Å; Q239-T255 HydrophobicContact CB-CG2 4.27Å; Q239-T255 WeakPolarHBondContact O-CG2 3.43Å; Q239-W257 VanDerWaalsContact C-CE3 3.49Å |
| 240 | L | 97.6 | Very high | 98 | Very high | 68 Ų | 68 | 54.5 Ų | 54.5 | 36% | 0.356 | 24% | 0.24 | S | C | . | . | trans | -55.7 | 124.5 | 168.8 | 177.6 | 67.8 | 0 | 0 | 0 | 109.9 | W257 Y262 C266 N268 | L240-W257 HydrophobicContact CB-CE3 4.43Å; L240-W257 HydrophobicContact CB-CH2 4.3Å; L240-W257 HydrophobicContact CB-CZ2 4.41Å; L240-W257 HydrophobicContact CB-CZ3 4.28Å; L240-W257 HydrophobicContact CD1-CD2 4.01Å; L240-W257 HydrophobicContact CD1-CG 4.34Å; L240-W257 HydrophobicContact CD1-CZ2 3.82Å; L240-Y262 HydrophobicContact CD1-CD1 4.45Å; L240-Y262 HydrophobicContact CD2-CD1 4.41Å; L240-C266 HydrophobicContact CD2-CB 3.96Å; L240-N268 HydrophobicContact CD1-CB 3.97Å; L240-N268 VanDerWaalsContact CD1-CG 3.48Å | ||
| 241 | V | 97 | Very high | 98 | Very high | 7 Ų | 7 | 50.5 Ų | 50.5 | 4% | 0.042 | 23% | 0.23 | C | C | . | . | trans | -124.6 | 129.3 | 172.6 | -69.9 | 0 | 0 | 0 | 0 | 108.8 | Q239 E243 G244 R246 T255 W257 | Q239-V241 PolarHBondContact O-N 2.73Å; V241-E243 PolarHBondContact O-N 3.21Å; V241-G244 PolarHBondContact O-N 3.49Å; V241-G244 VanDerWaalsContact O-N 3.11Å; V241-R246 HydrophobicContact CB-CB 4.22Å; V241-R246 HydrophobicContact CG1-CB 3.68Å; V241-T255 HydrophobicContact CG1-CG2 3.91Å; V241-T255 HydrophobicContact CG2-CG2 4.27Å; V241-W257 HydrophobicContact CG2-CB 3.68Å | ||
| 242 | M | 97.6 | Very high | 98 | Very high | 91 Ų | 91 | 51 Ų | 51 | 45% | 0.448 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -31 | -169.4 | -70.4 | -56.3 | -58.9 | 0 | 0 | 112.6 | G244 C266 N268 V269 | M242-G244 VanDerWaalsContact C-N 3.33Å; M242-C266 WeakPolarHBondContact CE-O 3.24Å; M242-N268 HydrophobicContact CE-CB 4.01Å; M242-N268 WeakPolarHBondContact O-CA 3.18Å; M242-N268 HydrophobicContact SD-CB 3.91Å; M242-V269 PolarHBondContact O-N 3.02Å |
| 243 | E | 97.4 | Very high | 98 | Very high | 116 Ų | 116 | 47.4 Ų | 47.4 | 54% | 0.542 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.5 | 4.1 | -178.8 | -56.7 | 78.5 | -172.9 | 0 | 0 | 113.2 | V241 Y245 V269 | V241-E243 PolarHBondContact O-N 3.21Å; E243-Y245 PolarHBondContact O-N 2.91Å; E243-Y245 VanDerWaalsContact O-N 3.12Å; E243-V269 WeakPolarHBondContact O-CG2 3.4Å |
| 244 | G | 98 | Very high | 98 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 21% | 0.214 | C | C | . | . | S | Bend | trans | 78 | -21.1 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | V241 M242 W257 V269 A271 | V241-G244 PolarHBondContact O-N 3.49Å; V241-G244 VanDerWaalsContact O-N 3.11Å; M242-G244 VanDerWaalsContact C-N 3.33Å; G244-W257 PolarHBondContact O-N 3.44Å; G244-V269 WeakPolarHBondContact CA-O 3.49Å; G244-A271 WeakPolarHBondContact O-CB 3.38Å |
| 245 | Y | 98.5 | Very high | 98 | Very high | 72 Ų | 72 | 47.2 Ų | 47.2 | 28% | 0.282 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 158.1 | 168.4 | 73.6 | -81.4 | 0 | 0 | 0 | 111.9 | E243 L254 T255 A271 F283 I285 | E243-Y245 PolarHBondContact O-N 2.91Å; E243-Y245 VanDerWaalsContact O-N 3.12Å; Y245-L254 HydrophobicContact CD2-CD1 3.94Å; Y245-T255 CarbonylContact C-O 3.11Å; Y245-T255 WeakPolarHBondContact CA-O 3.35Å; Y245-T255 WeakPolarHBondContact CB-O 3.37Å; Y245-A271 HydrophobicContact CD1-CB 4.04Å; Y245-F283 HydrophobicContact CD1-CB 4.41Å; Y245-F283 AromaticContact CD1-CD1 3.75Å; Y245-F283 HydrophobicContact CD1-CD1 3.75Å; Y245-F283 HydrophobicContact CD1-CE1 4.21Å; Y245-F283 HydrophobicContact CD1-CG 4.11Å; Y245-F283 AromaticContact CD2-CD1 3.91Å; Y245-F283 HydrophobicContact CD2-CD1 3.91Å; Y245-F283 AromaticContact CD2-CE1 3.55Å; Y245-F283 HydrophobicContact CD2-CE1 3.55Å; Y245-F283 HydrophobicContact CD2-CE2 4.22Å; Y245-F283 HydrophobicContact CD2-CG 4.38Å; Y245-F283 AromaticContact CD2-CZ 3.72Å; Y245-F283 HydrophobicContact CD2-CZ 3.72Å; Y245-F283 HydrophobicContact CE1-CB 4.13Å; Y245-F283 HydrophobicContact CE1-CD1 4.12Å; Y245-F283 HydrophobicContact CE1-CD2 4.5Å; Y245-F283 HydrophobicContact CE1-CG 4Å; Y245-F283 HydrophobicContact CE2-CD1 4.27Å; Y245-F283 HydrophobicContact CE2-CD2 4.14Å; Y245-F283 HydrophobicContact CE2-CE1 4.11Å; Y245-F283 AromaticContact CE2-CE2 3.98Å; Y245-F283 HydrophobicContact CE2-CE2 3.98Å; Y245-F283 HydrophobicContact CE2-CG 4.28Å; Y245-F283 AromaticContact CE2-CZ 3.95Å; Y245-F283 HydrophobicContact CE2-CZ 3.95Å; Y245-F283 AromaticContact CG-CD1 3.64Å; Y245-F283 HydrophobicContact CG-CD1 3.64Å; Y245-F283 AromaticContact CG-CE1 3.61Å; Y245-F283 HydrophobicContact CG-CE1 3.61Å; Y245-F283 HydrophobicContact CG-CG 4.3Å; Y245-F283 HydrophobicContact CG-CZ 4.26Å; Y245-I285 HydrophobicContact CE1-CD1 4.2Å |
| 246 | R | 98.2 | Very high | 98 | Very high | 145 Ų | 145 | 47.2 Ų | 47.2 | 55% | 0.547 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.4 | 131 | 177.8 | -168.8 | 177.3 | -158.4 | 174.6 | 6.5 | 112.2 | V241 H248 L254 T255 | V241-R246 HydrophobicContact CB-CB 4.22Å; V241-R246 HydrophobicContact CG1-CB 3.68Å; R246-H248 PolarHBondContact O-CD2 3.28Å; R246-L254 WeakPolarHBondContact O-CA 3.38Å; R246-T255 PolarHBondContact N-O 3.18Å; R246-T255 PolarHBondContact O-N 3.38Å |
| 247 | W | 98.3 | Very high | 98 | Very high | 62 Ų | 62 | 47.4 Ų | 47.4 | 24% | 0.235 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 138.8 | 166.8 | -72 | 107.2 | 0 | 0 | 0 | 110.9 | F233 E251 V253 L254 K281 F283 | F233-W247 HydrophobicContact CB-CZ3 4.17Å; F233-W247 HydrophobicContact CD1-CH2 4.35Å; F233-W247 AromaticContact CD2-CH2 3.63Å; F233-W247 HydrophobicContact CD2-CH2 3.63Å; F233-W247 AromaticContact CD2-CZ3 3.57Å; F233-W247 HydrophobicContact CD2-CZ3 3.57Å; F233-W247 HydrophobicContact CE1-CH2 4.43Å; F233-W247 AromaticContact CE2-CH2 3.72Å; F233-W247 HydrophobicContact CE2-CH2 3.72Å; F233-W247 HydrophobicContact CE2-CZ3 4.1Å; F233-W247 AromaticContact CG-CH2 3.97Å; F233-W247 HydrophobicContact CG-CH2 3.97Å; F233-W247 AromaticContact CG-CZ3 3.9Å; F233-W247 HydrophobicContact CG-CZ3 3.9Å; F233-W247 HydrophobicContact CZ-CH2 4.13Å; W247-E251 HydrophobicContact CB-CG 4.16Å; W247-E251 HydrophobicContact CD2-CB 3.95Å; W247-E251 HydrophobicContact CD2-CG 4.03Å; W247-E251 HydrophobicContact CE3-CB 3.74Å; W247-E251 HydrophobicContact CE3-CG 4.33Å; W247-E251 HydrophobicContact CG-CB 4.37Å; W247-E251 HydrophobicContact CG-CG 3.97Å; W247-E251 HydrophobicContact CZ3-CB 4.12Å; W247-E251 WeakPolarHBondContact CZ3-O 3.4Å; W247-V253 CarbonylContact C-O 3.45Å; W247-V253 WeakPolarHBondContact CA-O 3.43Å; W247-L254 HydrophobicContact CD2-CB 4.21Å; W247-L254 HydrophobicContact CD2-CD1 3.91Å; W247-L254 HydrophobicContact CE3-CB 3.73Å; W247-L254 HydrophobicContact CE3-CD1 4.31Å; W247-L254 HydrophobicContact CG-CD1 4.28Å; W247-L254 HydrophobicContact CH2-CB 3.89Å; W247-L254 HydrophobicContact CH2-CD2 4.21Å; W247-L254 HydrophobicContact CH2-CG 4.47Å; W247-L254 HydrophobicContact CZ2-CB 4.31Å; W247-L254 HydrophobicContact CZ2-CD1 4.19Å; W247-L254 HydrophobicContact CZ2-CD2 4.13Å; W247-L254 HydrophobicContact CZ2-CG 4.45Å; W247-L254 HydrophobicContact CZ3-CB 3.59Å; W247-K281 HydrophobicContact CH2-CD 4.15Å; W247-K281 HydrophobicContact CZ2-CD 3.89Å; W247-F283 HydrophobicContact CZ2-CZ 4.36Å |
| 248 | H | 98 | Very high | 98 | Very high | 17 Ų | 17 | 47.5 Ų | 47.5 | 8% | 0.079 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 158 | 172.8 | -51.8 | -107.4 | 0 | 0 | 0 | 109.4 | P200 R246 H250 E251 S252 V253 T255 | P200-H248 HydrophobicContact CB-CB 4.45Å; R246-H248 PolarHBondContact O-CD2 3.28Å; H248-H250 PolarHBondContact O-N 3.29Å; H248-E251 PolarHBondContact O-N 3.45Å; H248-E251 VanDerWaalsContact O-N 3.14Å; H248-S252 PolarHBondContact O-N 3.44Å; H248-V253 HydrophobicContact CB-CB 4.21Å; H248-V253 PolarHBondContact N-O 2.86Å; H248-V253 PolarHBondContact O-N 3.25Å; H248-T255 PolarHBondContact NE2-OG1 3.07Å |
| 249 | F | 97.3 | Very high | 98 | Very high | 11 Ų | 11 | 47.1 Ų | 47.1 | 5% | 0.048 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 50.8 | 54.5 | 166.6 | -48.4 | -37.8 | 0 | 0 | 0 | 114.4 | P200 E201 F217 V222 E251 S252 V253 | P200-F249 HydrophobicContact CB-CE2 3.6Å; P200-F249 HydrophobicContact CB-CZ 3.74Å; E201-F249 WeakPolarHBondContact O-CE1 3.39Å; E201-F249 WeakPolarHBondContact O-CZ 3.45Å; F217-F249 HydrophobicContact CD2-CE2 4.28Å; F217-F249 HydrophobicContact CE2-CE2 4.33Å; F217-F249 VanDerWaalsContact O-CZ 3.3Å; F217-F249 WeakPolarHBondContact O-CZ 3.19Å; V222-F249 HydrophobicContact CB-CD2 4.36Å; V222-F249 HydrophobicContact CG2-CD2 3.82Å; V222-F249 HydrophobicContact CG2-CE2 3.92Å; F249-E251 PolarHBondContact O-N 3.45Å; F249-S252 VanDerWaalsContact CB-OG 3.25Å; F249-S252 WeakPolarHBondContact CB-OG 3.29Å; F249-S252 PolarHBondContact O-N 2.97Å; F249-S252 PolarHBondContact O-OG 3.2Å; F249-V253 HydrophobicContact CD2-CG2 3.92Å; F249-V253 HydrophobicContact CE2-CG2 4.39Å |
| 250 | H | 95 | Very high | 97.9 | Very high | 195 Ų | 195 | 45 Ų | 45 | 90% | 0.903 | 20% | 0.204 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55.4 | 47.4 | -178.7 | -50.4 | 91.1 | 0 | 0 | 0 | 113.2 | H248 S252 | H248-H250 PolarHBondContact O-N 3.29Å; H250-S252 VanDerWaalsContact C-N 3.31Å; H250-S252 PolarHBondContact O-N 3.48Å |
| 251 | E | 97.4 | Very high | 97.8 | Very high | 131 Ų | 131 | 44.2 Ų | 44.2 | 61% | 0.612 | 20% | 0.2 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 65.9 | 25.1 | 177.5 | -52.5 | -176.1 | 165.2 | 0 | 0 | 115.2 | W247 H248 F249 | W247-E251 HydrophobicContact CB-CG 4.16Å; W247-E251 HydrophobicContact CD2-CB 3.95Å; W247-E251 HydrophobicContact CD2-CG 4.03Å; W247-E251 HydrophobicContact CE3-CB 3.74Å; W247-E251 HydrophobicContact CE3-CG 4.33Å; W247-E251 HydrophobicContact CG-CB 4.37Å; W247-E251 HydrophobicContact CG-CG 3.97Å; W247-E251 HydrophobicContact CZ3-CB 4.12Å; W247-E251 WeakPolarHBondContact CZ3-O 3.4Å; H248-E251 PolarHBondContact O-N 3.45Å; H248-E251 VanDerWaalsContact O-N 3.14Å; F249-E251 PolarHBondContact O-N 3.45Å |
| 252 | S | 98 | Very high | 97.7 | Very high | 23 Ų | 23 | 45.2 Ų | 45.2 | 16% | 0.161 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.9 | -14.9 | 176 | 61.3 | 0 | 0 | 0 | 0 | 114 | N226 F233 I234 H248 F249 H250 | N226-S252 PolarHBondContact ND2-O 2.96Å; F233-S252 WeakPolarHBondContact CA-O 3.26Å; F233-S252 WeakPolarHBondContact CB-O 3.29Å; I234-S252 PolarHBondContact N-O 2.87Å; H248-S252 PolarHBondContact O-N 3.44Å; F249-S252 VanDerWaalsContact CB-OG 3.25Å; F249-S252 WeakPolarHBondContact CB-OG 3.29Å; F249-S252 PolarHBondContact O-N 2.97Å; F249-S252 PolarHBondContact O-OG 3.2Å; H250-S252 VanDerWaalsContact C-N 3.31Å; H250-S252 PolarHBondContact O-N 3.48Å |
| 253 | V | 98.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 131.9 | 169.8 | -174.5 | 0 | 0 | 0 | 0 | 109.7 | F217 V222 I234 R236 W247 H248 F249 | F217-V253 HydrophobicContact CE2-CG2 4.39Å; V222-V253 HydrophobicContact CB-CG2 4.27Å; V222-V253 HydrophobicContact CG1-CG2 3.63Å; V222-V253 HydrophobicContact CG2-CG2 3.68Å; I234-V253 HydrophobicContact CB-CG1 4.34Å; I234-V253 HydrophobicContact CB-CG2 4.26Å; I234-V253 HydrophobicContact CD1-CG2 4.46Å; I234-V253 CarbonylContact O-C 3.48Å; I234-V253 VanDerWaalsContact O-CA 3.3Å; I234-V253 WeakPolarHBondContact O-CA 3.33Å; R236-V253 HydrophobicContact CG-CG1 3.83Å; W247-V253 CarbonylContact C-O 3.45Å; W247-V253 WeakPolarHBondContact CA-O 3.43Å; H248-V253 HydrophobicContact CB-CB 4.21Å; H248-V253 PolarHBondContact N-O 2.86Å; H248-V253 PolarHBondContact O-N 3.25Å; F249-V253 HydrophobicContact CD2-CG2 3.92Å; F249-V253 HydrophobicContact CE2-CG2 4.39Å |
| 254 | L | 98.8 | Very high | 97 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 124.8 | 173 | 176.1 | 63.5 | 0 | 0 | 0 | 109.3 | F233 I234 C235 R236 Y245 R246 W247 V256 L273 F283 | F233-L254 HydrophobicContact CD2-CB 4.13Å; F233-L254 HydrophobicContact CE2-CB 4.06Å; F233-L254 HydrophobicContact CE2-CD2 4.14Å; I234-L254 PolarHBondContact O-N 3.45Å; C235-L254 CarbonylContact C-O 3.56Å; C235-L254 WeakPolarHBondContact CA-O 2.98Å; R236-L254 PolarHBondContact N-O 3.49Å; Y245-L254 HydrophobicContact CD2-CD1 3.94Å; R246-L254 WeakPolarHBondContact O-CA 3.38Å; W247-L254 HydrophobicContact CD2-CB 4.21Å; W247-L254 HydrophobicContact CD2-CD1 3.91Å; W247-L254 HydrophobicContact CE3-CB 3.73Å; W247-L254 HydrophobicContact CE3-CD1 4.31Å; W247-L254 HydrophobicContact CG-CD1 4.28Å; W247-L254 HydrophobicContact CH2-CB 3.89Å; W247-L254 HydrophobicContact CH2-CD2 4.21Å; W247-L254 HydrophobicContact CH2-CG 4.47Å; W247-L254 HydrophobicContact CZ2-CB 4.31Å; W247-L254 HydrophobicContact CZ2-CD1 4.19Å; W247-L254 HydrophobicContact CZ2-CD2 4.13Å; W247-L254 HydrophobicContact CZ2-CG 4.45Å; W247-L254 HydrophobicContact CZ3-CB 3.59Å; L254-V256 HydrophobicContact CD2-CG2 3.84Å; L254-V256 HydrophobicContact CG-CG2 3.84Å; L254-L273 HydrophobicContact CD2-CD2 3.73Å; L254-F283 HydrophobicContact CD1-CE1 3.96Å; L254-F283 HydrophobicContact CD1-CZ 3.85Å; L254-F283 HydrophobicContact CD2-CE1 3.84Å; L254-F283 HydrophobicContact CD2-CZ 3.77Å; L254-F283 HydrophobicContact CG-CE1 4.48Å; L254-F283 HydrophobicContact CG-CZ 4.48Å |
| 255 | T | 98.9 | Very high | 96.7 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 127.5 | 165.3 | -61.5 | 0 | 0 | 0 | 0 | 108.9 | R236 Q239 V241 Y245 R246 H248 | R236-T255 VanDerWaalsContact CD-OG1 3.26Å; R236-T255 WeakPolarHBondContact CD-OG1 3.31Å; R236-T255 CarbonylContact O-C 3.53Å; R236-T255 VanDerWaalsContact O-CA 3.28Å; R236-T255 WeakPolarHBondContact O-CA 3.48Å; Q239-T255 HydrophobicContact CB-CG2 4.27Å; Q239-T255 WeakPolarHBondContact O-CG2 3.43Å; V241-T255 HydrophobicContact CG1-CG2 3.91Å; V241-T255 HydrophobicContact CG2-CG2 4.27Å; Y245-T255 CarbonylContact C-O 3.11Å; Y245-T255 WeakPolarHBondContact CA-O 3.35Å; Y245-T255 WeakPolarHBondContact CB-O 3.37Å; R246-T255 PolarHBondContact N-O 3.18Å; R246-T255 PolarHBondContact O-N 3.38Å; H248-T255 PolarHBondContact NE2-OG1 3.07Å |
| 256 | V | 98.8 | Very high | 96.4 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 134.3 | 174.4 | -176.1 | 0 | 0 | 0 | 0 | 108.9 | G53 R236 A237 L254 L273 | G53-V256 WeakPolarHBondContact CA-O 3.48Å; R236-V256 PolarHBondContact O-N 2.92Å; A237-V256 WeakPolarHBondContact CA-O 3.44Å; A237-V256 WeakPolarHBondContact CB-O 3.3Å; L254-V256 HydrophobicContact CD2-CG2 3.84Å; L254-V256 HydrophobicContact CG-CG2 3.84Å; V256-L273 HydrophobicContact CG2-CB 4.37Å |
| 257 | W | 98.7 | Very high | 96.2 | Very high | 4 Ų | 4 | 38.7 Ų | 38.7 | 2% | 0.015 | 19% | 0.194 | C | C | . | . | B | Isolated β-bridge | trans | -129.3 | 125.3 | -179.6 | -175.6 | -87.9 | 0 | 0 | 0 | 110.4 | D54 Q239 L240 V241 G244 A259 Y262 N268 A270 A271 | D54-W257 HydrophobicContact CB-CD2 4.45Å; D54-W257 HydrophobicContact CB-CE3 4.05Å; D54-W257 HydrophobicContact CB-CH2 3.97Å; D54-W257 HydrophobicContact CB-CZ2 4.36Å; D54-W257 HydrophobicContact CB-CZ3 3.83Å; D54-W257 VanDerWaalsContact CG-CZ3 3.49Å; D54-W257 WeakPolarHBondContact OD2-CH2 3.27Å; D54-W257 WeakPolarHBondContact OD2-CZ3 3.37Å; Q239-W257 VanDerWaalsContact C-CE3 3.49Å; L240-W257 HydrophobicContact CB-CE3 4.43Å; L240-W257 HydrophobicContact CB-CH2 4.3Å; L240-W257 HydrophobicContact CB-CZ2 4.41Å; L240-W257 HydrophobicContact CB-CZ3 4.28Å; L240-W257 HydrophobicContact CD1-CD2 4.01Å; L240-W257 HydrophobicContact CD1-CG 4.34Å; L240-W257 HydrophobicContact CD1-CZ2 3.82Å; V241-W257 HydrophobicContact CG2-CB 3.68Å; G244-W257 PolarHBondContact O-N 3.44Å; W257-A259 HydrophobicContact CZ2-CB 4.21Å; W257-A259 PolarHBondContact NE1-O 2.86Å; W257-Y262 HydrophobicContact CH2-CD1 4.32Å; W257-Y262 HydrophobicContact CH2-CD2 4.41Å; W257-Y262 HydrophobicContact CH2-CE1 4.17Å; W257-Y262 HydrophobicContact CH2-CE2 4.27Å; W257-Y262 HydrophobicContact CH2-CG 4.4Å; W257-Y262 AromaticContact CZ2-CD1 3.87Å; W257-Y262 HydrophobicContact CZ2-CD1 3.87Å; W257-Y262 AromaticContact CZ2-CD2 3.66Å; W257-Y262 HydrophobicContact CZ2-CD2 3.66Å; W257-Y262 HydrophobicContact CZ2-CE1 4.14Å; W257-Y262 AromaticContact CZ2-CE2 3.96Å; W257-Y262 HydrophobicContact CZ2-CE2 3.96Å; W257-Y262 AromaticContact CZ2-CG 3.57Å; W257-Y262 HydrophobicContact CZ2-CG 3.57Å; W257-N268 VanDerWaalsContact CD1-ND2 3.28Å; W257-N268 PolarHBondContact NE1-ND2 3.33Å; W257-A270 CarbonylContact O-C 3.48Å; W257-A270 WeakPolarHBondContact O-CA 3.29Å; W257-A271 PolarHBondContact O-N 2.9Å |
| 258 | S | 98.7 | Very high | 96.2 | Very high | 2 Ų | 2 | 36 Ų | 36 | 1% | 0.014 | 18% | 0.184 | C | C | . | . | trans | -117.2 | 10.4 | -170.1 | -61.6 | 0 | 0 | 0 | 0 | 114.7 | G53 D54 P260 A271 | G53-S258 PolarHBondContact N-OG 3.28Å; D54-S258 CarbonylContact O-C 3.58Å; D54-S258 WeakPolarHBondContact O-CA 3.18Å; D54-S258 WeakPolarHBondContact O-CB 3.27Å; D54-S258 PolarHBondContact O-N 2.91Å; S258-P260 WeakPolarHBondContact O-CD 3.35Å; S258-A271 PolarHBondContact OG-O 2.77Å | ||
| 259 | A | 98.1 | Very high | 96.2 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 19% | 0.191 | C | C | . | . | trans | -109.3 | 93.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | D54 W257 Y262 N268 | D54-A259 PolarHBondContact O-N 3.44Å; W257-A259 HydrophobicContact CZ2-CB 4.21Å; W257-A259 PolarHBondContact NE1-O 2.86Å; A259-Y262 HydrophobicContact CB-CD2 4.3Å; A259-N268 PolarHBondContact O-ND2 3.42Å | ||
| 260 | P | 97.4 | Very high | 96.2 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.5 | 151.5 | -176.5 | 31.2 | -35 | 0 | 0 | 0 | 111 | Q58 D61 S258 Y262 A270 F286 A288 | Q58-P260 PolarHBondContact NE2-O 3.26Å; D61-P260 HydrophobicContact CB-CG 3.85Å; S258-P260 WeakPolarHBondContact O-CD 3.35Å; P260-Y262 PolarHBondContact O-N 2.93Å; P260-A270 HydrophobicContact CB-CB 3.72Å; P260-A270 HydrophobicContact CG-CB 4Å; P260-F286 HydrophobicContact CG-CD2 4.31Å; P260-F286 HydrophobicContact CG-CE2 4.09Å; P260-A288 HydrophobicContact CB-CB 4.06Å; P260-A288 HydrophobicContact CG-CB 4.01Å |
| 261 | N | 95.5 | Very high | 96.4 | Very high | 52 Ų | 52 | 27.1 Ų | 27.1 | 28% | 0.278 | 15% | 0.146 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 42.9 | 51.9 | -174.8 | -173.2 | 35.5 | 0 | 0 | 0 | 112.5 | Y264 R265 C266 G267 N268 A288 | N261-Y264 PolarHBondContact ND2-O 2.85Å; N261-Y264 WeakPolarHBondContact O-CA 3.14Å; N261-Y264 PolarHBondContact O-N 3.08Å; N261-R265 PolarHBondContact OD1-N 3.22Å; N261-C266 PolarHBondContact OD1-N 2.68Å; N261-G267 WeakPolarHBondContact OD1-CA 3.44Å; N261-G267 PolarHBondContact OD1-N 3.27Å; N261-N268 PolarHBondContact N-O 3Å; N261-N268 PolarHBondContact N-OD1 3.4Å; N261-A288 HydrophobicContact CB-CB 3.8Å |
| 262 | Y | 95.1 | Very high | 96.5 | Very high | 28 Ų | 28 | 20.9 Ų | 20.9 | 11% | 0.11 | 12% | 0.116 | C | C | . | . | G | 310 helix | trans | -49.6 | 141.2 | -170.8 | 177.6 | -126.2 | 0 | 0 | 0 | 112.6 | H56 R86 L240 W257 A259 P260 Y264 R265 C266 N268 | H56-Y262 HydrophobicContact CB-CD2 4.46Å; H56-Y262 HydrophobicContact CB-CE2 3.79Å; H56-Y262 AromaticContact CD2-CE2 3.16Å; H56-Y262 WeakPolarHBondContact CD2-CE2 3.31Å; H56-Y262 AromaticContact CD2-CZ 3.56Å; H56-Y262 PolarHBondContact CD2-OH 2.82Å; H56-Y262 VanDerWaalsContact CD2-OH 3.31Å; H56-Y262 AromaticContact CG-CE2 3.64Å; H56-Y262 AromaticContact NE2-CE2 3.84Å; H56-Y262 AromaticContact NE2-CZ 3.74Å; H56-Y262 PolarHBondContact NE2-OH 2.97Å; R86-Y262 HydrophobicContact CB-CE2 4.21Å; R86-Y262 HydrophobicContact CG-CE2 4.09Å; R86-Y262 WeakPolarHBondContact CG-OH 3.41Å; L240-Y262 HydrophobicContact CD1-CD1 4.45Å; L240-Y262 HydrophobicContact CD2-CD1 4.41Å; W257-Y262 HydrophobicContact CH2-CD1 4.32Å; W257-Y262 HydrophobicContact CH2-CD2 4.41Å; W257-Y262 HydrophobicContact CH2-CE1 4.17Å; W257-Y262 HydrophobicContact CH2-CE2 4.27Å; W257-Y262 HydrophobicContact CH2-CG 4.4Å; W257-Y262 AromaticContact CZ2-CD1 3.87Å; W257-Y262 HydrophobicContact CZ2-CD1 3.87Å; W257-Y262 AromaticContact CZ2-CD2 3.66Å; W257-Y262 HydrophobicContact CZ2-CD2 3.66Å; W257-Y262 HydrophobicContact CZ2-CE1 4.14Å; W257-Y262 AromaticContact CZ2-CE2 3.96Å; W257-Y262 HydrophobicContact CZ2-CE2 3.96Å; W257-Y262 AromaticContact CZ2-CG 3.57Å; W257-Y262 HydrophobicContact CZ2-CG 3.57Å; A259-Y262 HydrophobicContact CB-CD2 4.3Å; P260-Y262 PolarHBondContact O-N 2.93Å; Y262-Y264 PolarHBondContact O-N 3.36Å; Y262-R265 PolarHBondContact O-N 2.93Å; Y262-R265 VanDerWaalsContact O-N 3.09Å; Y262-C266 WeakPolarHBondContact O-CB 3.46Å; Y262-C266 PolarHBondContact O-N 2.6Å; Y262-C266 PolarHBondContact O-SG 2.96Å; Y262-N268 WeakPolarHBondContact CB-OD1 3.47Å; Y262-N268 PolarHBondContact N-OD1 2.82Å |
| 263 | C | 90.3 | Very high | 96.5 | Very high | 12 Ų | 12 | 19.8 Ų | 19.8 | 8% | 0.081 | 11% | 0.109 | C | C | . | . | G | 310 helix | trans | 53 | 26.1 | -174.2 | -66.3 | 0 | 0 | 0 | 0 | 113.1 | R265 F306 | C263-R265 HydrophobicContact CB-CG 4.17Å; C263-R265 WeakPolarHBondContact O-CG 3.15Å; C263-R265 PolarHBondContact O-N 2.93Å; C263-F306 HydrophobicContact CB-CB 4.36Å; C263-F306 HydrophobicContact CB-CD1 3.7Å; C263-F306 HydrophobicContact CB-CE1 4.42Å; C263-F306 HydrophobicContact CB-CG 4.44Å |
| 264 | Y | 90 | Very high | 96.5 | Very high | 37 Ų | 37 | 23 Ų | 23 | 15% | 0.145 | 12% | 0.121 | C | C | . | . | G | 310 helix | trans | 61.7 | 16.2 | -178 | -45.8 | -77.2 | 0 | 0 | 0 | 114.9 | Y88 N261 Y262 D292 I296 F306 | Y88-Y264 AromaticContact CD2-CE2 3.61Å; Y88-Y264 HydrophobicContact CD2-CE2 3.61Å; Y88-Y264 AromaticContact CD2-CZ 3.6Å; Y88-Y264 WeakPolarHBondContact CD2-OH 3.23Å; Y88-Y264 AromaticContact CE2-CD2 4Å; Y88-Y264 HydrophobicContact CE2-CD2 4Å; Y88-Y264 AromaticContact CE2-CE2 3.38Å; Y88-Y264 HydrophobicContact CE2-CE2 3.38Å; Y88-Y264 AromaticContact CE2-CZ 3.8Å; Y88-Y264 PolarHBondContact N-OH 3.36Å; N261-Y264 PolarHBondContact ND2-O 2.85Å; N261-Y264 WeakPolarHBondContact O-CA 3.14Å; N261-Y264 PolarHBondContact O-N 3.08Å; Y262-Y264 PolarHBondContact O-N 3.36Å; Y264-D292 WeakPolarHBondContact CE1-OD2 3.23Å; Y264-I296 HydrophobicContact CD1-CD1 3.88Å; Y264-I296 HydrophobicContact CD1-CG1 3.98Å; Y264-I296 HydrophobicContact CE1-CG1 4.27Å; Y264-I296 HydrophobicContact CG-CD1 3.9Å; Y264-I296 HydrophobicContact CG-CG1 4.18Å; Y264-F306 HydrophobicContact CD2-CE1 4.08Å; Y264-F306 HydrophobicContact CD2-CZ 4.04Å; Y264-F306 AromaticContact CE2-CE1 3.88Å; Y264-F306 HydrophobicContact CE2-CE1 3.88Å; Y264-F306 AromaticContact CE2-CZ 3.7Å; Y264-F306 HydrophobicContact CE2-CZ 3.7Å |
| 265 | R | 90.6 | Very high | 96.5 | Very high | 137 Ų | 137 | 23.1 Ų | 23.1 | 52% | 0.517 | 12% | 0.122 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -146.4 | -21.6 | -169.9 | 69.4 | -173.6 | -64 | -143.9 | -3.8 | 116.3 | N261 Y262 C263 G267 F306 L307 | N261-R265 PolarHBondContact OD1-N 3.22Å; Y262-R265 PolarHBondContact O-N 2.93Å; Y262-R265 VanDerWaalsContact O-N 3.09Å; C263-R265 HydrophobicContact CB-CG 4.17Å; C263-R265 WeakPolarHBondContact O-CG 3.15Å; C263-R265 PolarHBondContact O-N 2.93Å; R265-G267 VanDerWaalsContact C-N 3.28Å; R265-G267 PolarHBondContact O-N 3.44Å; R265-F306 WeakPolarHBondContact CD-O 3.41Å; R265-F306 PolarHBondContact NH1-O 3.07Å; R265-L307 VanDerWaalsContact NH1-CA 3.31Å; R265-L307 PolarHBondContact NH1-OXT 3.27Å |
| 266 | C | 92.7 | Very high | 96.5 | Very high | 47 Ų | 47 | 25.8 Ų | 25.8 | 32% | 0.318 | 14% | 0.136 | S | C | . | . | S | Bend | trans | -70.4 | -24.9 | -173 | -71.1 | 0 | 0 | 0 | 0 | 113 | L240 M242 N261 Y262 N268 | L240-C266 HydrophobicContact CD2-CB 3.96Å; M242-C266 WeakPolarHBondContact CE-O 3.24Å; N261-C266 PolarHBondContact OD1-N 2.68Å; Y262-C266 WeakPolarHBondContact O-CB 3.46Å; Y262-C266 PolarHBondContact O-N 2.6Å; Y262-C266 PolarHBondContact O-SG 2.96Å; C266-N268 WeakPolarHBondContact CB-OD1 3.27Å; C266-N268 PolarHBondContact O-N 3.03Å |
| 267 | G | 94.7 | Very high | 96.3 | Very high | 54 Ų | 54 | 31.4 Ų | 31.4 | 56% | 0.557 | 17% | 0.166 | S | C | * | . | trans | 70 | 11.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | N261 R265 | N261-G267 WeakPolarHBondContact OD1-CA 3.44Å; N261-G267 PolarHBondContact OD1-N 3.27Å; R265-G267 VanDerWaalsContact C-N 3.28Å; R265-G267 PolarHBondContact O-N 3.44Å | ||
| 268 | N | 97.8 | Very high | 96.3 | Very high | 5 Ų | 5 | 40.4 Ų | 40.4 | 3% | 0.027 | 20% | 0.2 | C | C | . | . | trans | -71 | 157 | 173 | 65.6 | -73 | 0 | 0 | 0 | 111.6 | L240 M242 W257 A259 N261 Y262 C266 | L240-N268 HydrophobicContact CD1-CB 3.97Å; L240-N268 VanDerWaalsContact CD1-CG 3.48Å; M242-N268 HydrophobicContact CE-CB 4.01Å; M242-N268 WeakPolarHBondContact O-CA 3.18Å; M242-N268 HydrophobicContact SD-CB 3.91Å; W257-N268 VanDerWaalsContact CD1-ND2 3.28Å; W257-N268 PolarHBondContact NE1-ND2 3.33Å; A259-N268 PolarHBondContact O-ND2 3.42Å; N261-N268 PolarHBondContact N-O 3Å; N261-N268 PolarHBondContact N-OD1 3.4Å; Y262-N268 WeakPolarHBondContact CB-OD1 3.47Å; Y262-N268 PolarHBondContact N-OD1 2.82Å; C266-N268 WeakPolarHBondContact CB-OD1 3.27Å; C266-N268 PolarHBondContact O-N 3.03Å | ||
| 269 | V | 97.6 | Very high | 96.2 | Very high | 37 Ų | 37 | 41.2 Ų | 41.2 | 22% | 0.224 | 20% | 0.204 | C | C | . | . | trans | -87.2 | 169.6 | 162 | -59.1 | 0 | 0 | 0 | 0 | 110.1 | M242 E243 G244 I285 E287 | M242-V269 PolarHBondContact O-N 3.02Å; E243-V269 WeakPolarHBondContact O-CG2 3.4Å; G244-V269 WeakPolarHBondContact CA-O 3.49Å; V269-I285 HydrophobicContact CB-CG2 3.89Å; V269-I285 HydrophobicContact CG1-CG2 4.49Å; V269-I285 HydrophobicContact CG2-CG2 3.63Å; V269-E287 HydrophobicContact CG1-CG 4.29Å | ||
| 270 | A | 98.5 | Very high | 96.2 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 156.5 | 171.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | W257 P260 I285 F286 | W257-A270 CarbonylContact O-C 3.48Å; W257-A270 WeakPolarHBondContact O-CA 3.29Å; P260-A270 HydrophobicContact CB-CB 3.72Å; P260-A270 HydrophobicContact CG-CB 4Å; A270-I285 CarbonylContact O-C 3.57Å; A270-I285 VanDerWaalsContact O-CA 3.31Å; A270-I285 WeakPolarHBondContact O-CA 3.49Å; A270-I285 WeakPolarHBondContact O-CG2 3.34Å; A270-F286 HydrophobicContact CB-CD1 4.12Å; A270-F286 HydrophobicContact CB-CD2 4.03Å; A270-F286 HydrophobicContact CB-CE1 3.65Å; A270-F286 HydrophobicContact CB-CE2 3.57Å; A270-F286 HydrophobicContact CB-CG 4.29Å; A270-F286 HydrophobicContact CB-CZ 3.36Å; A270-F286 PolarHBondContact N-O 3.38Å; A270-F286 PolarHBondContact O-N 3.28Å |
| 271 | A | 98.6 | Very high | 96.2 | Very high | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 158.4 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | G244 Y245 W257 S258 S284 I285 | G244-A271 WeakPolarHBondContact O-CB 3.38Å; Y245-A271 HydrophobicContact CD1-CB 4.04Å; W257-A271 PolarHBondContact O-N 2.9Å; S258-A271 PolarHBondContact OG-O 2.77Å; A271-S284 VanDerWaalsContact CA-O 3.3Å; A271-S284 WeakPolarHBondContact CA-O 3.07Å; A271-I285 HydrophobicContact CB-CG1 4.46Å |
| 272 | I | 98.7 | Very high | 96.3 | Very high | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 146 | 162.4 | 52.8 | 175.1 | 0 | 0 | 0 | 108.7 | T50 C52 L65 V68 G69 F283 S284 F286 | T50-I272 HydrophobicContact CG2-CB 3.92Å; T50-I272 HydrophobicContact CG2-CD1 3.78Å; T50-I272 HydrophobicContact CG2-CG1 4.27Å; T50-I272 HydrophobicContact CG2-CG2 4.39Å; C52-I272 HydrophobicContact CB-CG2 4.32Å; L65-I272 HydrophobicContact CD1-CG2 3.84Å; L65-I272 HydrophobicContact CD2-CG2 4.34Å; L65-I272 HydrophobicContact CG-CG2 3.76Å; V68-I272 HydrophobicContact CG1-CD1 4.17Å; G69-I272 VanDerWaalsContact CA-CD1 3.41Å; I272-F283 WeakPolarHBondContact O-CA 3.49Å; I272-S284 PolarHBondContact N-O 3.36Å; I272-S284 PolarHBondContact O-N 2.95Å; I272-F286 HydrophobicContact CG2-CE1 4.2Å |
| 273 | L | 98.8 | Very high | 96.5 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 120.2 | 173.8 | 167.2 | 70.1 | 0 | 0 | 0 | 109 | T50 V51 L254 V256 L275 K281 F283 | T50-L273 CarbonylContact C-O 3.45Å; T50-L273 WeakPolarHBondContact CA-O 3.31Å; V51-L273 HydrophobicContact CB-CB 4.24Å; V51-L273 HydrophobicContact CB-CD2 4.42Å; V51-L273 HydrophobicContact CG2-CD2 4.32Å; V51-L273 PolarHBondContact N-O 3.06Å; V51-L273 PolarHBondContact O-N 3.48Å; L254-L273 HydrophobicContact CD2-CD2 3.73Å; V256-L273 HydrophobicContact CG2-CB 4.37Å; L273-L275 HydrophobicContact CD1-CD2 4.3Å; L273-L275 HydrophobicContact CD2-CD1 4.25Å; L273-L275 HydrophobicContact CD2-CD2 4.26Å; L273-L275 HydrophobicContact CD2-CG 4.17Å; L273-L275 HydrophobicContact CG-CD2 4.36Å; L273-L275 HydrophobicContact CG-CG 4.17Å; L273-K281 HydrophobicContact CD1-CB 3.84Å; L273-K281 HydrophobicContact CD1-CG 4.15Å; L273-F283 HydrophobicContact CB-CD1 4.43Å; L273-F283 HydrophobicContact CB-CE1 4.19Å; L273-F283 HydrophobicContact CD1-CD1 4.38Å; L273-F283 HydrophobicContact CD1-CE1 3.95Å; L273-F283 HydrophobicContact CD1-CE2 4.32Å; L273-F283 HydrophobicContact CD1-CZ 3.92Å |
| 274 | R | 98.7 | Very high | 96.8 | Very high | 67 Ų | 67 | 53.7 Ų | 53.7 | 25% | 0.253 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 132.4 | 167.7 | -54.7 | -172.5 | -152.8 | -152.8 | 9.8 | 109.9 | T50 V68 G69 E282 S284 | T50-R274 HydrophobicContact CG2-CG 4.35Å; V68-R274 VanDerWaalsContact C-NH2 3.34Å; V68-R274 PolarHBondContact O-NH1 3.38Å; V68-R274 PolarHBondContact O-NH2 3.46Å; G69-R274 PolarHBondContact O-NH1 2.75Å; R274-E282 HydrophobicContact CB-CB 4.37Å; R274-E282 PolarHBondContact N-O 3.49Å; R274-E282 PolarHBondContact O-N 2.82Å; R274-S284 PolarHBondContact NE-OG 3.4Å; R274-S284 VanDerWaalsContact NE-OG 3.08Å; R274-S284 PolarHBondContact NH2-OG 3.21Å |
| 275 | L | 98.7 | Very high | 97.2 | Very high | 3 Ų | 3 | 56.5 Ų | 56.5 | 2% | 0.016 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 121.1 | 171.1 | -64.6 | 167.7 | 0 | 0 | 0 | 107.5 | P48 V49 V51 I156 I160 L273 L279 D280 K281 | P48-L275 CarbonylContact C-O 3.19Å; P48-L275 WeakPolarHBondContact CA-O 3.4Å; P48-L275 WeakPolarHBondContact CB-O 3.49Å; V49-L275 HydrophobicContact CG1-CB 4.25Å; V49-L275 HydrophobicContact CG1-CD1 4.17Å; V49-L275 PolarHBondContact N-O 3.07Å; V49-L275 PolarHBondContact O-N 2.9Å; V51-L275 HydrophobicContact CG2-CD1 4.31Å; I156-L275 HydrophobicContact CD1-CD1 3.61Å; I156-L275 HydrophobicContact CG2-CD1 4.23Å; I160-L275 HydrophobicContact CD1-CD1 3.59Å; I160-L275 HydrophobicContact CD1-CD2 4.06Å; I160-L275 HydrophobicContact CD1-CG 4.49Å; L273-L275 HydrophobicContact CD1-CD2 4.3Å; L273-L275 HydrophobicContact CD2-CD1 4.25Å; L273-L275 HydrophobicContact CD2-CD2 4.26Å; L273-L275 HydrophobicContact CD2-CG 4.17Å; L273-L275 HydrophobicContact CG-CD2 4.36Å; L273-L275 HydrophobicContact CG-CG 4.17Å; L275-L279 HydrophobicContact CB-CD2 4.3Å; L275-L279 HydrophobicContact CD1-CD2 4.43Å; L275-D280 WeakPolarHBondContact CA-O 3.37Å; L275-K281 HydrophobicContact CD2-CB 4.49Å; L275-K281 HydrophobicContact CD2-CG 3.72Å |
| 276 | N | 97.7 | Very high | 97.5 | Very high | 56 Ų | 56 | 50.6 Ų | 50.6 | 30% | 0.299 | 26% | 0.257 | S | S | . | . | trans | -81.4 | -178.5 | 172.9 | 74.2 | 6.1 | 0 | 0 | 0 | 111.4 | S47 R278 L279 D280 | S47-N276 WeakPolarHBondContact CB-O 3.17Å; S47-N276 PolarHBondContact OG-O 3.01Å; N276-R278 PolarHBondContact O-N 2.71Å; N276-R278 WeakPolarHBondContact OD1-CA 3.45Å; N276-R278 PolarHBondContact OD1-N 3.07Å; N276-L279 PolarHBondContact O-N 3.31Å; N276-L279 PolarHBondContact OD1-N 2.86Å; N276-D280 PolarHBondContact N-O 2.88Å; N276-D280 WeakPolarHBondContact ND2-CB 3.18Å; N276-D280 PolarHBondContact ND2-OD2 2.92Å; N276-D280 WeakPolarHBondContact OD1-CB 3.44Å; N276-D280 PolarHBondContact OD1-N 3.42Å; N276-D280 PolarHBondContact OD1-OD2 3.19Å | ||
| 277 | D | 96.6 | Very high | 97.7 | Very high | 119 Ų | 119 | 55.5 Ų | 55.5 | 64% | 0.636 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | -13.3 | 179.3 | -49.5 | -36 | 0 | 0 | 0 | 114.9 | P48 | P48-D277 WeakPolarHBondContact CD-OD1 3.36Å; P48-D277 WeakPolarHBondContact CG-OD1 3.33Å |
| 278 | R | 97.1 | Very high | 97.7 | Very high | 192 Ų | 192 | 54.8 Ų | 54.8 | 73% | 0.725 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.8 | 6.5 | 177.7 | -60.3 | -173.1 | -62.2 | -144.4 | -4.3 | 112.6 | N276 D280 | N276-R278 PolarHBondContact O-N 2.71Å; N276-R278 WeakPolarHBondContact OD1-CA 3.45Å; N276-R278 PolarHBondContact OD1-N 3.07Å; R278-D280 IonicContact CZ-OD2 3.82Å; R278-D280 IonicContact NE-OD2 3.37Å; R278-D280 PolarHBondContact NE-OD2 3.33Å; R278-D280 VanDerWaalsContact NE-OD2 3.13Å; R278-D280 IonicContact NH2-OD2 3.78Å; R278-D280 PolarHBondContact NH2-OD2 3.02Å; R278-D280 PolarHBondContact O-N 3.33Å |
| 279 | L | 97.2 | Very high | 97.3 | Very high | 19 Ų | 19 | 55.5 Ų | 55.5 | 10% | 0.099 | 27% | 0.27 | C | S | . | . | trans | 58.7 | 24.5 | -171.9 | -56.6 | 174 | 0 | 0 | 0 | 113.7 | I156 D157 R159 I160 L275 N276 | I156-L279 HydrophobicContact CG2-CD2 4.1Å; D157-L279 HydrophobicContact CB-CD1 4.1Å; D157-L279 HydrophobicContact CB-CD2 4.38Å; D157-L279 VanDerWaalsContact OD2-CD2 3.28Å; D157-L279 WeakPolarHBondContact OD2-CD2 3.17Å; R159-L279 HydrophobicContact CB-CD1 4.32Å; I160-L279 HydrophobicContact CD1-CD1 4.45Å; I160-L279 HydrophobicContact CD1-CD2 4.05Å; L275-L279 HydrophobicContact CB-CD2 4.3Å; L275-L279 HydrophobicContact CD1-CD2 4.43Å; N276-L279 PolarHBondContact O-N 3.31Å; N276-L279 PolarHBondContact OD1-N 2.86Å | ||
| 280 | D | 97.7 | Very high | 96.6 | Very high | 77 Ų | 77 | 60.6 Ų | 60.6 | 41% | 0.412 | 30% | 0.295 | S | S | . | . | trans | -65.8 | 134.9 | 167.1 | -55.3 | -45 | 0 | 0 | 0 | 107.8 | L275 N276 R278 | L275-D280 WeakPolarHBondContact CA-O 3.37Å; N276-D280 PolarHBondContact N-O 2.88Å; N276-D280 WeakPolarHBondContact ND2-CB 3.18Å; N276-D280 PolarHBondContact ND2-OD2 2.92Å; N276-D280 WeakPolarHBondContact OD1-CB 3.44Å; N276-D280 PolarHBondContact OD1-N 3.42Å; N276-D280 PolarHBondContact OD1-OD2 3.19Å; R278-D280 IonicContact CZ-OD2 3.82Å; R278-D280 IonicContact NE-OD2 3.37Å; R278-D280 PolarHBondContact NE-OD2 3.33Å; R278-D280 VanDerWaalsContact NE-OD2 3.13Å; R278-D280 IonicContact NH2-OD2 3.78Å; R278-D280 PolarHBondContact NH2-OD2 3.02Å; R278-D280 PolarHBondContact O-N 3.33Å | ||
| 281 | K | 98.1 | Very high | 95.4 | Very high | 96 Ų | 96 | 65.3 Ų | 65.3 | 42% | 0.417 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 125.4 | -172.3 | -59.1 | 170.2 | -169 | 62.7 | 0 | 110 | F233 W247 L273 L275 | F233-K281 HydrophobicContact CE1-CD 4.43Å; F233-K281 HydrophobicContact CZ-CD 4.38Å; W247-K281 HydrophobicContact CH2-CD 4.15Å; W247-K281 HydrophobicContact CZ2-CD 3.89Å; L273-K281 HydrophobicContact CD1-CB 3.84Å; L273-K281 HydrophobicContact CD1-CG 4.15Å; L275-K281 HydrophobicContact CD2-CB 4.49Å; L275-K281 HydrophobicContact CD2-CG 3.72Å |
| 282 | E | 98 | Very high | 93.8 | Very high | 120 Ų | 120 | 65.5 Ų | 65.5 | 56% | 0.561 | 32% | 0.318 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 127.9 | 170.1 | -176.2 | -175.6 | 164.2 | 0 | 0 | 109.5 | R274 | R274-E282 HydrophobicContact CB-CB 4.37Å; R274-E282 PolarHBondContact N-O 3.49Å; R274-E282 PolarHBondContact O-N 2.82Å |
| 283 | F | 98.2 | Very high | 92 | Very high | 48 Ų | 48 | 68.9 Ų | 68.9 | 21% | 0.211 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 128.2 | 174.7 | -66.6 | -87 | 0 | 0 | 0 | 109.7 | Y245 W247 L254 I272 L273 | Y245-F283 HydrophobicContact CD1-CB 4.41Å; Y245-F283 AromaticContact CD1-CD1 3.75Å; Y245-F283 HydrophobicContact CD1-CD1 3.75Å; Y245-F283 HydrophobicContact CD1-CE1 4.21Å; Y245-F283 HydrophobicContact CD1-CG 4.11Å; Y245-F283 AromaticContact CD2-CD1 3.91Å; Y245-F283 HydrophobicContact CD2-CD1 3.91Å; Y245-F283 AromaticContact CD2-CE1 3.55Å; Y245-F283 HydrophobicContact CD2-CE1 3.55Å; Y245-F283 HydrophobicContact CD2-CE2 4.22Å; Y245-F283 HydrophobicContact CD2-CG 4.38Å; Y245-F283 AromaticContact CD2-CZ 3.72Å; Y245-F283 HydrophobicContact CD2-CZ 3.72Å; Y245-F283 HydrophobicContact CE1-CB 4.13Å; Y245-F283 HydrophobicContact CE1-CD1 4.12Å; Y245-F283 HydrophobicContact CE1-CD2 4.5Å; Y245-F283 HydrophobicContact CE1-CG 4Å; Y245-F283 HydrophobicContact CE2-CD1 4.27Å; Y245-F283 HydrophobicContact CE2-CD2 4.14Å; Y245-F283 HydrophobicContact CE2-CE1 4.11Å; Y245-F283 AromaticContact CE2-CE2 3.98Å; Y245-F283 HydrophobicContact CE2-CE2 3.98Å; Y245-F283 HydrophobicContact CE2-CG 4.28Å; Y245-F283 AromaticContact CE2-CZ 3.95Å; Y245-F283 HydrophobicContact CE2-CZ 3.95Å; Y245-F283 AromaticContact CG-CD1 3.64Å; Y245-F283 HydrophobicContact CG-CD1 3.64Å; Y245-F283 AromaticContact CG-CE1 3.61Å; Y245-F283 HydrophobicContact CG-CE1 3.61Å; Y245-F283 HydrophobicContact CG-CG 4.3Å; Y245-F283 HydrophobicContact CG-CZ 4.26Å; W247-F283 HydrophobicContact CZ2-CZ 4.36Å; L254-F283 HydrophobicContact CD1-CE1 3.96Å; L254-F283 HydrophobicContact CD1-CZ 3.85Å; L254-F283 HydrophobicContact CD2-CE1 3.84Å; L254-F283 HydrophobicContact CD2-CZ 3.77Å; L254-F283 HydrophobicContact CG-CE1 4.48Å; L254-F283 HydrophobicContact CG-CZ 4.48Å; I272-F283 WeakPolarHBondContact O-CA 3.49Å; L273-F283 HydrophobicContact CB-CD1 4.43Å; L273-F283 HydrophobicContact CB-CE1 4.19Å; L273-F283 HydrophobicContact CD1-CD1 4.38Å; L273-F283 HydrophobicContact CD1-CE1 3.95Å; L273-F283 HydrophobicContact CD1-CE2 4.32Å; L273-F283 HydrophobicContact CD1-CZ 3.92Å |
| 284 | S | 97.9 | Very high | 90 | Very high | 13 Ų | 13 | 77.9 Ų | 77.9 | 9% | 0.091 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 118.2 | 166.8 | -51.9 | 0 | 0 | 0 | 0 | 109 | V68 A271 I272 R274 | V68-S284 VanDerWaalsContact CG1-CB 3.43Å; A271-S284 VanDerWaalsContact CA-O 3.3Å; A271-S284 WeakPolarHBondContact CA-O 3.07Å; I272-S284 PolarHBondContact N-O 3.36Å; I272-S284 PolarHBondContact O-N 2.95Å; R274-S284 PolarHBondContact NE-OG 3.4Å; R274-S284 VanDerWaalsContact NE-OG 3.08Å; R274-S284 PolarHBondContact NH2-OG 3.21Å |
| 285 | I | 97.8 | Very high | 88.2 | Confident | 97 Ų | 97 | 75.7 Ų | 75.7 | 50% | 0.497 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 139.4 | -179.6 | -57.1 | 174.2 | 0 | 0 | 0 | 108.9 | Y245 V269 A270 A271 | Y245-I285 HydrophobicContact CE1-CD1 4.2Å; V269-I285 HydrophobicContact CB-CG2 3.89Å; V269-I285 HydrophobicContact CG1-CG2 4.49Å; V269-I285 HydrophobicContact CG2-CG2 3.63Å; A270-I285 CarbonylContact O-C 3.57Å; A270-I285 VanDerWaalsContact O-CA 3.31Å; A270-I285 WeakPolarHBondContact O-CA 3.49Å; A270-I285 WeakPolarHBondContact O-CG2 3.34Å; A271-I285 HydrophobicContact CB-CG1 4.46Å |
| 286 | F | 97.6 | Very high | 86.5 | Confident | 12 Ų | 12 | 78.8 Ų | 78.8 | 5% | 0.053 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 153.4 | 177.8 | 62.6 | -80 | 0 | 0 | 0 | 112.4 | E64 L65 V68 P260 A270 I272 | E64-F286 HydrophobicContact CG-CD2 4.37Å; L65-F286 HydrophobicContact CB-CE2 4.33Å; L65-F286 HydrophobicContact CB-CZ 3.94Å; L65-F286 HydrophobicContact CD1-CZ 4.24Å; L65-F286 HydrophobicContact CG-CZ 4.25Å; V68-F286 HydrophobicContact CG2-CB 4.05Å; V68-F286 HydrophobicContact CG2-CG 4.46Å; P260-F286 HydrophobicContact CG-CD2 4.31Å; P260-F286 HydrophobicContact CG-CE2 4.09Å; A270-F286 HydrophobicContact CB-CD1 4.12Å; A270-F286 HydrophobicContact CB-CD2 4.03Å; A270-F286 HydrophobicContact CB-CE1 3.65Å; A270-F286 HydrophobicContact CB-CE2 3.57Å; A270-F286 HydrophobicContact CB-CG 4.29Å; A270-F286 HydrophobicContact CB-CZ 3.36Å; A270-F286 PolarHBondContact N-O 3.38Å; A270-F286 PolarHBondContact O-N 3.28Å; I272-F286 HydrophobicContact CG2-CE1 4.2Å |
| 287 | E | 96.3 | Very high | 84.7 | Confident | 151 Ų | 151 | 79 Ų | 79 | 71% | 0.706 | 40% | 0.398 | S | S | * | . | P | Polyproline II helix | trans | -98.9 | 169.3 | 179.3 | -63.4 | -174.6 | 163.4 | 0 | 0 | 111.2 | V269 | V269-E287 HydrophobicContact CG1-CG 4.29Š|
| 288 | A | 94 | Very high | 82.8 | Confident | 38 Ų | 38 | 78.3 Ų | 78.3 | 31% | 0.314 | 41% | 0.409 | S | S | . | . | P | Polyproline II helix | trans | -64.6 | 138.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | P260 N261 | P260-A288 HydrophobicContact CB-CB 4.06Å; P260-A288 HydrophobicContact CG-CB 4.01Å; N261-A288 HydrophobicContact CB-CB 3.8Å |
| 289 | S | 89.5 | Confident | 80.7 | Confident | 21 Ų | 21 | 80.7 Ų | 80.7 | 15% | 0.147 | 42% | 0.418 | C | S | . | . | P | Polyproline II helix | trans | -64.6 | 134.4 | 177.6 | 177.6 | 0 | 0 | 0 | 0 | 111.2 | D61 Q291 D292 | D61-S289 WeakPolarHBondContact OD1-CB 3.36Å; D61-S289 PolarHBondContact OD1-N 3.14Å; S289-Q291 PolarHBondContact O-N 3.34Å; S289-Q291 PolarHBondContact OG-N 3.12Å; S289-D292 WeakPolarHBondContact O-CB 3.26Å; S289-D292 PolarHBondContact O-N 3.48Å |
| 290 | L | 83 | Confident | 78.9 | Confident | 143 Ų | 143 | 88.6 Ų | 88.6 | 75% | 0.749 | 45% | 0.447 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | -15.6 | 172.7 | -62.6 | 176.6 | 0 | 0 | 0 | 113.4 | R294 | L290-R294 PolarHBondContact O-NE 3.42Š|
| 291 | Q | 74.2 | Confident | 77.4 | Confident | 100 Ų | 100 | 90.6 Ų | 90.6 | 47% | 0.467 | 46% | 0.464 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81 | -30 | 174 | -65.8 | -173.3 | 11.9 | 0 | 0 | 111.9 | Y60 S289 A293 R294 G295 | Y60-Q291 HydrophobicContact CD1-CB 3.74Å; Y60-Q291 VanDerWaalsContact CD1-OE1 3.25Å; Y60-Q291 HydrophobicContact CD2-CB 4.41Å; Y60-Q291 HydrophobicContact CE1-CB 4.19Å; Y60-Q291 HydrophobicContact CG-CB 3.86Å; S289-Q291 PolarHBondContact O-N 3.34Å; S289-Q291 PolarHBondContact OG-N 3.12Å; Q291-A293 VanDerWaalsContact C-N 3.33Å; Q291-A293 PolarHBondContact O-N 2.76Å; Q291-R294 WeakPolarHBondContact O-CA 3.47Å; Q291-R294 WeakPolarHBondContact O-CB 3.38Å; Q291-R294 PolarHBondContact O-N 2.64Å; Q291-G295 PolarHBondContact O-N 2.98Å; Q291-G295 VanDerWaalsContact O-N 3.15Å |
| 292 | D | 64.1 | Low | 76 | Confident | 4 Ų | 4 | 91.3 Ų | 91.3 | 2% | 0.021 | 47% | 0.471 | C | S | . | . | H | α-helix | trans | -68.1 | -37.8 | -178.3 | -150.6 | 28.6 | 0 | 0 | 0 | 111.1 | Y60 Y264 S289 R294 G295 | Y60-D292 HydrophobicContact CD2-CB 4.38Å; Y264-D292 WeakPolarHBondContact CE1-OD2 3.23Å; S289-D292 WeakPolarHBondContact O-CB 3.26Å; S289-D292 PolarHBondContact O-N 3.48Å; D292-R294 PolarHBondContact O-N 3.06Å; D292-R294 VanDerWaalsContact O-N 3.09Å; D292-G295 PolarHBondContact O-N 3.15Å |
| 293 | A | 60.2 | Low | 74.9 | Confident | 70 Ų | 70 | 87 Ų | 87 | 58% | 0.579 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -58 | -24 | 169.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q291 | Q291-A293 VanDerWaalsContact C-N 3.33Å; Q291-A293 PolarHBondContact O-N 2.76Å |
| 294 | R | 58.6 | Low | 73.5 | Confident | 189 Ų | 189 | 91.3 Ų | 91.3 | 71% | 0.713 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -90 | -18.5 | 176.7 | -71.1 | -177.5 | -94.2 | 178.4 | -8.4 | 113.4 | L290 Q291 D292 I296 | L290-R294 PolarHBondContact O-NE 3.42Å; Q291-R294 WeakPolarHBondContact O-CA 3.47Å; Q291-R294 WeakPolarHBondContact O-CB 3.38Å; Q291-R294 PolarHBondContact O-N 2.64Å; D292-R294 PolarHBondContact O-N 3.06Å; D292-R294 VanDerWaalsContact O-N 3.09Å; R294-I296 VanDerWaalsContact C-N 3.27Å |
| 295 | G | 59.2 | Low | 72.6 | Confident | 22 Ų | 22 | 92.8 Ų | 92.8 | 23% | 0.227 | 48% | 0.482 | C | S | . | . | H | α-helix | trans | -73.4 | -18.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q291 D292 P297 | Q291-G295 PolarHBondContact O-N 2.98Å; Q291-G295 VanDerWaalsContact O-N 3.15Å; D292-G295 PolarHBondContact O-N 3.15Å; G295-P297 VanDerWaalsContact O-CD 3.29Å; G295-P297 WeakPolarHBondContact O-CD 3.47Å |
| 296 | I | 62.6 | Low | 71.1 | Confident | 68 Ų | 68 | 88.5 Ų | 88.5 | 35% | 0.349 | 46% | 0.46 | S | S | . | . | S | Bend | trans | -63.1 | 117.6 | 178.6 | -53.9 | 176.2 | 0 | 0 | 0 | 109.7 | Y88 Y264 R294 A298 | Y88-I296 HydrophobicContact CE2-CB 4.37Å; Y88-I296 HydrophobicContact CE2-CG1 4.25Å; Y88-I296 HydrophobicContact CE2-CG2 4.28Å; Y264-I296 HydrophobicContact CD1-CD1 3.88Å; Y264-I296 HydrophobicContact CD1-CG1 3.98Å; Y264-I296 HydrophobicContact CE1-CG1 4.27Å; Y264-I296 HydrophobicContact CG-CD1 3.9Å; Y264-I296 HydrophobicContact CG-CG1 4.18Å; R294-I296 VanDerWaalsContact C-N 3.27Å; I296-A298 PolarHBondContact O-N 2.96Å; I296-A298 VanDerWaalsContact O-N 3.09Å |
| 297 | P | 61.4 | Low | 69.2 | Low | 59 Ų | 59 | 95.1 Ų | 95.1 | 38% | 0.383 | 50% | 0.496 | S | S | . | . | trans | -60.7 | 116.3 | 179.5 | -21.4 | 32.3 | 0 | 0 | 0 | 111.2 | Y88 G295 R299 | Y88-P297 HydrophobicContact CD1-CG 4.28Å; Y88-P297 HydrophobicContact CE1-CG 4.04Å; Y88-P297 VanDerWaalsContact CZ-CD 3.46Å; G295-P297 VanDerWaalsContact O-CD 3.29Å; G295-P297 WeakPolarHBondContact O-CD 3.47Å; P297-R299 PolarHBondContact O-N 3.27Å | ||
| 298 | A | 57.2 | Low | 67.8 | Low | 105 Ų | 105 | 92.4 Ų | 92.4 | 87% | 0.868 | 49% | 0.485 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | -2.5 | -168.3 | 0 | 0 | 0 | 0 | 0 | 117.2 | I296 | I296-A298 PolarHBondContact O-N 2.96Å; I296-A298 VanDerWaalsContact O-N 3.09Å |
| 299 | R | 52.6 | Low | 66.4 | Low | 242 Ų | 242 | 95.2 Ų | 95.2 | 91% | 0.913 | 49% | 0.494 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -148.3 | 24.5 | -168.9 | -71.3 | -166.7 | 175.8 | -175.7 | -1 | 116.3 | P297 | P297-R299 PolarHBondContact O-N 3.27Š|
| 300 | R | 59.6 | Low | 65.1 | Low | 186 Ų | 186 | 99.3 Ų | 99.3 | 70% | 0.702 | 51% | 0.513 | S | S | * | . | S | Bend | trans | -114.2 | 146 | 172.6 | -71.6 | -171.9 | 178.8 | -167.6 | -1.3 | 110.8 | I302 | R300-I302 PolarHBondContact O-N 3.05Š|
| 301 | P | 64.6 | Low | 64.1 | Low | 119 Ų | 119 | 96.8 Ų | 96.8 | 77% | 0.773 | 50% | 0.499 | S | S | * | . | P | Polyproline II helix | trans | -52.9 | 138.1 | 166.1 | 24 | -31.3 | 0 | 0 | 0 | 107.9 | P303 | P301-P303 WeakPolarHBondContact O-CD 3.36Å; P301-P303 VanDerWaalsContact O-N 3.17Å |
| 302 | I | 69.2 | Low | 63.5 | Low | 110 Ų | 110 | 96.6 Ų | 96.6 | 56% | 0.564 | 50% | 0.501 | S | S | * | . | P | Polyproline II helix | trans | -54.9 | 120.3 | 174.9 | -63.8 | 173.8 | 0 | 0 | 0 | 106.4 | R300 D304 F306 | R300-I302 PolarHBondContact O-N 3.05Å; I302-D304 PolarHBondContact O-N 3.28Å; I302-F306 HydrophobicContact CG2-CB 3.7Å; I302-F306 HydrophobicContact CG2-CD2 3.72Å; I302-F306 HydrophobicContact CG2-CG 4.18Å |
| 303 | P | 74.4 | Confident | 63.4 | Low | 30 Ų | 30 | 102.7 Ų | 102.7 | 20% | 0.195 | 53% | 0.533 | C | S | . | . | P | Polyproline II helix | trans | -49.2 | 139.2 | 176.3 | -29.7 | 30.5 | 0 | 0 | 0 | 112.8 | P301 Y305 F306 | P301-P303 WeakPolarHBondContact O-CD 3.36Å; P301-P303 VanDerWaalsContact O-N 3.17Å; P303-Y305 HydrophobicContact CB-CD1 3.81Å; P303-Y305 HydrophobicContact CB-CD2 4.1Å; P303-Y305 HydrophobicContact CB-CE1 3.39Å; P303-Y305 HydrophobicContact CB-CE2 3.71Å; P303-Y305 HydrophobicContact CB-CG 4.14Å; P303-Y305 HydrophobicContact CG-CE1 4.19Å; P303-Y305 HydrophobicContact CG-CE2 4.26Å; P303-Y305 PolarHBondContact O-N 2.82Å; P303-Y305 VanDerWaalsContact O-N 3.11Å; P303-F306 HydrophobicContact CB-CD2 3.78Å; P303-F306 HydrophobicContact CB-CE2 4.02Å; P303-F306 VanDerWaalsContact CD-CD2 3.45Å; P303-F306 HydrophobicContact CG-CD2 3.75Å; P303-F306 HydrophobicContact CG-CE2 3.57Å; P303-F306 WeakPolarHBondContact O-CB 3.38Å; P303-F306 PolarHBondContact O-N 2.68Å |
| 304 | D | 70.6 | Confident | 63.6 | Low | 139 Ų | 139 | 105.1 Ų | 105.1 | 74% | 0.743 | 53% | 0.53 | S | S | * | . | G | 310 helix | trans | -59.4 | -26.6 | -177 | -68.7 | -23.4 | 0 | 0 | 0 | 112.6 | I302 F306 L307 | I302-D304 PolarHBondContact O-N 3.28Å; D304-F306 PolarHBondContact O-N 3.38Å; D304-L307 VanDerWaalsContact O-CB 3.26Å; D304-L307 WeakPolarHBondContact O-CB 3.41Å; D304-L307 PolarHBondContact O-N 2.81Å |
| 305 | Y | 78.1 | Confident | 64 | Low | 43 Ų | 43 | 98.6 Ų | 98.6 | 17% | 0.169 | 52% | 0.516 | C | S | . | . | G | 310 helix | trans | -73.2 | -5.4 | 175.7 | 59.6 | -110.3 | 0 | 0 | 0 | 114.2 | R86 P303 L307 | R86-Y305 PolarHBondContact NH1-O 3.29Å; R86-Y305 WeakPolarHBondContact O-CE2 3.16Å; P303-Y305 HydrophobicContact CB-CD1 3.81Å; P303-Y305 HydrophobicContact CB-CD2 4.1Å; P303-Y305 HydrophobicContact CB-CE1 3.39Å; P303-Y305 HydrophobicContact CB-CE2 3.71Å; P303-Y305 HydrophobicContact CB-CG 4.14Å; P303-Y305 HydrophobicContact CG-CE1 4.19Å; P303-Y305 HydrophobicContact CG-CE2 4.26Å; P303-Y305 PolarHBondContact O-N 2.82Å; P303-Y305 VanDerWaalsContact O-N 3.11Å; Y305-L307 VanDerWaalsContact C-N 3.33Å |
| 306 | F | 66.4 | Low | 64.4 | Low | 8 Ų | 8 | 105 Ų | 105 | 4% | 0.035 | 54% | 0.54 | C | S | . | . | G | 310 helix | trans | -87.8 | -5.3 | 165.7 | -66.4 | -52.1 | 0 | 0 | 0 | 112.7 | R86 Y88 C263 Y264 R265 I302 P303 D304 | R86-F306 HydrophobicContact CB-CD1 4.46Å; R86-F306 HydrophobicContact CB-CE1 4.15Å; R86-F306 WeakPolarHBondContact O-CE1 3.36Å; R86-F306 WeakPolarHBondContact O-CZ 3.33Å; Y88-F306 AromaticContact CE1-CE2 3.96Å; Y88-F306 HydrophobicContact CE1-CE2 3.96Å; Y88-F306 HydrophobicContact CE1-CZ 4.11Å; Y88-F306 HydrophobicContact CE2-CE2 4.31Å; Y88-F306 HydrophobicContact CE2-CZ 4.13Å; Y88-F306 AromaticContact CZ-CE2 3.61Å; Y88-F306 AromaticContact CZ-CZ 3.81Å; Y88-F306 VanDerWaalsContact OH-CE2 3.32Å; Y88-F306 WeakPolarHBondContact OH-CE2 3.46Å; C263-F306 HydrophobicContact CB-CB 4.36Å; C263-F306 HydrophobicContact CB-CD1 3.7Å; C263-F306 HydrophobicContact CB-CE1 4.42Å; C263-F306 HydrophobicContact CB-CG 4.44Å; Y264-F306 HydrophobicContact CD2-CE1 4.08Å; Y264-F306 HydrophobicContact CD2-CZ 4.04Å; Y264-F306 AromaticContact CE2-CE1 3.88Å; Y264-F306 HydrophobicContact CE2-CE1 3.88Å; Y264-F306 AromaticContact CE2-CZ 3.7Å; Y264-F306 HydrophobicContact CE2-CZ 3.7Å; R265-F306 WeakPolarHBondContact CD-O 3.41Å; R265-F306 PolarHBondContact NH1-O 3.07Å; I302-F306 HydrophobicContact CG2-CB 3.7Å; I302-F306 HydrophobicContact CG2-CD2 3.72Å; I302-F306 HydrophobicContact CG2-CG 4.18Å; P303-F306 HydrophobicContact CB-CD2 3.78Å; P303-F306 HydrophobicContact CB-CE2 4.02Å; P303-F306 VanDerWaalsContact CD-CD2 3.45Å; P303-F306 HydrophobicContact CG-CD2 3.75Å; P303-F306 HydrophobicContact CG-CE2 3.57Å; P303-F306 WeakPolarHBondContact O-CB 3.38Å; P303-F306 PolarHBondContact O-N 2.68Å; D304-F306 PolarHBondContact O-N 3.38Å |
| 307 | L | 56.6 | Low | 64.6 | Low | 151 Ų | 151 | 108.4 Ų | 108.4 | 79% | 0.791 | 56% | 0.558 | S | S | * | * | trans | -83.5 | 0 | -173.9 | -64.8 | 178.2 | 0 | 0 | 0 | 113.8 | R265 D304 Y305 | R265-L307 VanDerWaalsContact NH1-CA 3.31Å; R265-L307 PolarHBondContact NH1-OXT 3.27Å; D304-L307 VanDerWaalsContact O-CB 3.26Å; D304-L307 WeakPolarHBondContact O-CB 3.41Å; D304-L307 PolarHBondContact O-N 2.81Å; Y305-L307 VanDerWaalsContact C-N 3.33Å |
Retrieved 307 of 307 residues in 73.6 ms
(Link to these results)