| 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 | 46.4 | Very low | 80.2 | Confident | 230 Ų | 230 | 81.8 Ų | 81.8 | 100% | 1.133 | 45% | 0.454 | S | S | * | . | 0 | -28.1 | 0 | -68.8 | -155 | -161.4 | 0 | 0 | 114 | D3 S4 | M1-D3 PolarHBondContact O-N 3.36Å; M1-S4 PolarHBondContact O-N 3.2Å | |||
| 2 | A | 42.7 | Very low | 81.3 | Confident | 77 Ų | 77 | 82.3 Ų | 82.3 | 64% | 0.636 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -53.4 | -48.9 | -173.7 | 0 | 0 | 0 | 0 | 0 | 115 | S4 A5 E6 | A2-S4 PolarHBondContact O-N 2.82Å; A2-A5 PolarHBondContact O-N 2.79Å; A2-A5 VanDerWaalsContact O-N 3.07Å; A2-E6 PolarHBondContact O-N 3.08Å |
| 3 | D | 71.2 | Confident | 82.3 | Confident | 89 Ų | 89 | 77.8 Ų | 77.8 | 48% | 0.476 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -54.9 | -31.8 | -174 | -62.2 | 37.6 | 0 | 0 | 0 | 114.5 | M1 E6 L7 | M1-D3 PolarHBondContact O-N 3.36Å; D3-E6 PolarHBondContact O-N 3.02Å; D3-L7 WeakPolarHBondContact O-CB 3.2Å; D3-L7 VanDerWaalsContact O-CG 3.29Å; D3-L7 WeakPolarHBondContact O-CG 3.4Å; D3-L7 PolarHBondContact O-N 3.33Å |
| 4 | S | 81.2 | Confident | 83.2 | Confident | 76 Ų | 76 | 72.3 Ų | 72.3 | 53% | 0.531 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -68.6 | -36.1 | -178.5 | -173.3 | 0 | 0 | 0 | 0 | 112.3 | M1 A2 K8 | M1-S4 PolarHBondContact O-N 3.2Å; A2-S4 PolarHBondContact O-N 2.82Å; S4-K8 VanDerWaalsContact O-CB 3.29Å; S4-K8 WeakPolarHBondContact O-CB 3.29Å; S4-K8 PolarHBondContact O-N 2.85Å; S4-K8 VanDerWaalsContact O-N 3.1Å |
| 5 | A | 84.8 | Confident | 83.9 | Confident | 69 Ų | 69 | 76.2 Ų | 76.2 | 57% | 0.57 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -71.2 | -40.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | A2 K8 Q9 | A2-A5 PolarHBondContact O-N 2.79Å; A2-A5 VanDerWaalsContact O-N 3.07Å; A5-K8 PolarHBondContact O-N 2.76Å; A5-Q9 PolarHBondContact O-N 2.83Å; A5-Q9 VanDerWaalsContact O-N 3.09Å |
| 6 | E | 89.5 | Confident | 84.6 | Confident | 98 Ų | 98 | 75.1 Ų | 75.1 | 46% | 0.458 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -64.1 | -50.3 | 177.1 | -164.4 | -162.8 | -178.8 | 0 | 0 | 111.3 | A2 D3 K8 Q9 M10 | A2-E6 PolarHBondContact O-N 3.08Å; D3-E6 PolarHBondContact O-N 3.02Å; E6-K8 VanDerWaalsContact C-N 3.28Å; E6-K8 PolarHBondContact O-N 3Å; E6-Q9 WeakPolarHBondContact O-CB 3.47Å; E6-Q9 PolarHBondContact O-N 3.21Å; E6-Q9 VanDerWaalsContact O-N 3.08Å; E6-M10 HydrophobicContact CG-CE 3.98Å; E6-M10 WeakPolarHBondContact O-CG 3.39Å; E6-M10 PolarHBondContact O-N 3.18Å; E6-M10 WeakPolarHBondContact OE1-CE 3.41Å |
| 7 | L | 91.7 | Very high | 85.1 | Confident | 5 Ų | 5 | 74.6 Ų | 74.6 | 3% | 0.026 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -59.2 | -38.4 | 177 | -73.9 | 170.4 | 0 | 0 | 0 | 112.2 | D3 M10 V11 L45 Q54 I57 K58 | D3-L7 WeakPolarHBondContact O-CB 3.2Å; D3-L7 VanDerWaalsContact O-CG 3.29Å; D3-L7 WeakPolarHBondContact O-CG 3.4Å; D3-L7 PolarHBondContact O-N 3.33Å; L7-M10 HydrophobicContact CD2-SD 4.45Å; L7-M10 PolarHBondContact O-N 3.06Å; L7-V11 WeakPolarHBondContact O-CG2 3.33Å; L7-V11 PolarHBondContact O-N 2.78Å; L7-L45 HydrophobicContact CB-CD1 4.16Å; L7-L45 HydrophobicContact CB-CD2 4.05Å; L7-L45 HydrophobicContact CD1-CD2 4.29Å; L7-Q54 HydrophobicContact CD1-CB 4.12Å; L7-Q54 HydrophobicContact CD1-CG 3.8Å; L7-Q54 HydrophobicContact CD2-CB 4.37Å; L7-I57 HydrophobicContact CD2-CB 4.03Å; L7-I57 HydrophobicContact CD2-CD1 4.36Å; L7-I57 HydrophobicContact CD2-CG2 3.75Å; L7-K58 HydrophobicContact CD2-CG 4.23Å |
| 8 | K | 92.3 | Very high | 85.6 | Confident | 115 Ų | 115 | 71.9 Ų | 71.9 | 50% | 0.5 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -60.4 | -45.6 | 174.2 | 179.2 | 178 | -180 | -167.1 | 0 | 111.3 | S4 A5 E6 V11 M12 L42 L45 | S4-K8 VanDerWaalsContact O-CB 3.29Å; S4-K8 WeakPolarHBondContact O-CB 3.29Å; S4-K8 PolarHBondContact O-N 2.85Å; S4-K8 VanDerWaalsContact O-N 3.1Å; A5-K8 PolarHBondContact O-N 2.76Å; E6-K8 VanDerWaalsContact C-N 3.28Å; E6-K8 PolarHBondContact O-N 3Å; K8-V11 PolarHBondContact O-N 3.49Å; K8-M12 HydrophobicContact CG-SD 4.02Å; K8-M12 WeakPolarHBondContact O-CB 3.48Å; K8-M12 VanDerWaalsContact O-CG 3.29Å; K8-M12 WeakPolarHBondContact O-CG 3.38Å; K8-M12 PolarHBondContact O-N 3.33Å; K8-L42 HydrophobicContact CG-CD2 3.83Å; K8-L45 HydrophobicContact CB-CD1 4.31Å |
| 9 | Q | 92.5 | Very high | 86.2 | Confident | 124 Ų | 124 | 68.1 Ų | 68.1 | 58% | 0.579 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -64.8 | -41.2 | 177.2 | -173.8 | 65.6 | -0.8 | 0 | 0 | 111.9 | A5 E6 M12 S13 | A5-Q9 PolarHBondContact O-N 2.83Å; A5-Q9 VanDerWaalsContact O-N 3.09Å; E6-Q9 WeakPolarHBondContact O-CB 3.47Å; E6-Q9 PolarHBondContact O-N 3.21Å; E6-Q9 VanDerWaalsContact O-N 3.08Å; Q9-M12 PolarHBondContact O-N 2.9Å; Q9-S13 PolarHBondContact O-N 3.13Å; Q9-S13 VanDerWaalsContact O-N 3.16Å |
| 10 | M | 94.6 | Very high | 86.6 | Confident | 17 Ų | 17 | 68.1 Ų | 68.1 | 8% | 0.084 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -58.3 | -50.3 | 174.3 | -69.2 | -176.4 | 177.2 | 0 | 0 | 111.6 | E6 L7 M12 S13 I57 K58 Y61 | E6-M10 HydrophobicContact CG-CE 3.98Å; E6-M10 WeakPolarHBondContact O-CG 3.39Å; E6-M10 PolarHBondContact O-N 3.18Å; E6-M10 WeakPolarHBondContact OE1-CE 3.41Å; L7-M10 HydrophobicContact CD2-SD 4.45Å; L7-M10 PolarHBondContact O-N 3.06Å; M10-M12 PolarHBondContact O-N 2.94Å; M10-S13 WeakPolarHBondContact O-CB 3.3Å; M10-S13 PolarHBondContact O-N 3.35Å; M10-S13 VanDerWaalsContact O-N 3.15Å; M10-S13 PolarHBondContact O-OG 2.83Å; M10-I57 HydrophobicContact CB-CG2 3.69Å; M10-I57 HydrophobicContact SD-CG2 4.22Å; M10-K58 HydrophobicContact CE-CG 4.26Å; M10-K58 HydrophobicContact SD-CG 3.84Å; M10-Y61 HydrophobicContact CB-CD2 3.72Å; M10-Y61 HydrophobicContact CB-CE2 4.33Å; M10-Y61 HydrophobicContact CB-CG 4Å; M10-Y61 HydrophobicContact CE-CD1 4.06Å; M10-Y61 HydrophobicContact CE-CE1 4.46Å; M10-Y61 HydrophobicContact CE-CG 4.48Å; M10-Y61 HydrophobicContact CG-CD1 4.04Å; M10-Y61 HydrophobicContact CG-CD2 3.69Å; M10-Y61 HydrophobicContact CG-CE1 4.42Å; M10-Y61 HydrophobicContact CG-CE2 4.09Å; M10-Y61 HydrophobicContact CG-CG 3.65Å; M10-Y61 HydrophobicContact SD-CD1 4.29Å; M10-Y61 HydrophobicContact SD-CG 4.12Å |
| 11 | V | 95.1 | Very high | 87 | Confident | 0 Ų | 0 | 68.4 Ų | 68.4 | 0% | 0 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -62 | -41.7 | 178.3 | 168.3 | 0 | 0 | 0 | 0 | 112 | L7 K8 S13 L14 L19 L22 L38 A41 L42 L45 I57 | L7-V11 WeakPolarHBondContact O-CG2 3.33Å; L7-V11 PolarHBondContact O-N 2.78Å; K8-V11 PolarHBondContact O-N 3.49Å; V11-S13 PolarHBondContact O-N 2.9Å; V11-L14 PolarHBondContact O-N 2.85Å; V11-L14 VanDerWaalsContact O-N 3.14Å; V11-L19 HydrophobicContact CG1-CD2 4.18Å; V11-L22 HydrophobicContact CG2-CD2 4.15Å; V11-L38 HydrophobicContact CG1-CD1 3.79Å; V11-A41 HydrophobicContact CG1-CB 3.7Å; V11-L42 HydrophobicContact CB-CD2 4.35Å; V11-L42 HydrophobicContact CG1-CD2 3.92Å; V11-L42 HydrophobicContact CG1-CG 4.33Å; V11-L45 HydrophobicContact CB-CD1 4.43Å; V11-L45 HydrophobicContact CG2-CD1 4.05Å; V11-I57 HydrophobicContact CG2-CB 4.48Å; V11-I57 HydrophobicContact CG2-CD1 3.66Å; V11-I57 HydrophobicContact CG2-CG1 3.85Å; V11-I57 HydrophobicContact CG2-CG2 3.77Å |
| 12 | M | 94.1 | Very high | 89.3 | Confident | 87 Ų | 87 | 57.4 Ų | 57.4 | 43% | 0.429 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -61.9 | -26.1 | 176.3 | -75.9 | 175.9 | 59.9 | 0 | 0 | 113.4 | K8 Q9 M10 L38 L42 | K8-M12 HydrophobicContact CG-SD 4.02Å; K8-M12 WeakPolarHBondContact O-CB 3.48Å; K8-M12 VanDerWaalsContact O-CG 3.29Å; K8-M12 WeakPolarHBondContact O-CG 3.38Å; K8-M12 PolarHBondContact O-N 3.33Å; Q9-M12 PolarHBondContact O-N 2.9Å; M10-M12 PolarHBondContact O-N 2.94Å; M12-L38 HydrophobicContact CG-CD1 4.22Å; M12-L42 HydrophobicContact CG-CD1 4.46Å; M12-L42 HydrophobicContact CG-CD2 4.46Å |
| 13 | S | 93.8 | Very high | 91.8 | Very high | 25 Ų | 25 | 53.8 Ų | 53.8 | 18% | 0.175 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -71.7 | -32.5 | 176.1 | 87.3 | 0 | 0 | 0 | 0 | 112.9 | Q9 M10 V11 Y61 R64 | Q9-S13 PolarHBondContact O-N 3.13Å; Q9-S13 VanDerWaalsContact O-N 3.16Å; M10-S13 WeakPolarHBondContact O-CB 3.3Å; M10-S13 PolarHBondContact O-N 3.35Å; M10-S13 VanDerWaalsContact O-N 3.15Å; M10-S13 PolarHBondContact O-OG 2.83Å; V11-S13 PolarHBondContact O-N 2.9Å; S13-Y61 WeakPolarHBondContact OG-CD2 3.28Å; S13-Y61 WeakPolarHBondContact OG-CE2 3.28Å; S13-R64 PolarHBondContact O-NH1 2.61Å; S13-R64 PolarHBondContact O-NH2 3.19Å |
| 14 | L | 94.3 | Very high | 92.8 | Very high | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 29% | 0.285 | C | S | . | . | trans | -61.2 | 150.2 | -163.6 | -62.4 | -178.9 | 0 | 0 | 0 | 114.3 | V11 E18 L19 L22 K34 L60 | V11-L14 PolarHBondContact O-N 2.85Å; V11-L14 VanDerWaalsContact O-N 3.14Å; L14-E18 WeakPolarHBondContact CA-OE2 3.38Å; L14-E18 HydrophobicContact CB-CB 4.03Å; L14-E18 HydrophobicContact CD1-CB 4.49Å; L14-E18 HydrophobicContact CD2-CB 4.17Å; L14-E18 HydrophobicContact CG-CB 4.44Å; L14-L19 HydrophobicContact CB-CD2 4.05Å; L14-L19 HydrophobicContact CB-CG 3.93Å; L14-L19 HydrophobicContact CD1-CD2 4.22Å; L14-L22 HydrophobicContact CD1-CD2 4.23Å; L14-K34 VanDerWaalsContact O-CE 3.26Å; L14-K34 WeakPolarHBondContact O-CE 3.41Å; L14-L60 HydrophobicContact CD1-CB 4.45Å; L14-L60 HydrophobicContact CD1-CD1 4.33Å; L14-L60 HydrophobicContact CD2-CB 4.03Å | ||
| 15 | R | 94.6 | Very high | 93.3 | Very high | 131 Ų | 131 | 51.8 Ų | 51.8 | 49% | 0.494 | 28% | 0.275 | S | S | . | . | trans | -77.1 | 167.1 | 170.8 | -59.9 | -173.6 | -178.8 | 97.4 | -11.4 | 111.2 | S17 E18 L19 | R15-S17 PolarHBondContact O-N 2.9Å; R15-E18 HydrophobicContact CB-CG 4.31Å; R15-E18 WeakPolarHBondContact CD-OE1 3.49Å; R15-E18 WeakPolarHBondContact CG-OE1 3.48Å; R15-E18 IonicContact CZ-OE1 3.45Å; R15-E18 PolarHBondContact N-OE2 2.87Å; R15-E18 IonicContact NE-OE1 3.41Å; R15-E18 IonicContact NH1-OE1 2.72Å; R15-E18 PolarHBondContact NH1-OE1 2.74Å; R15-E18 PolarHBondContact O-N 2.84Å; R15-L19 WeakPolarHBondContact O-CG 3.25Å; R15-L19 PolarHBondContact O-N 2.81Å | ||
| 16 | V | 94.2 | Very high | 93.6 | Very high | 59 Ų | 59 | 49.9 Ų | 49.9 | 36% | 0.358 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -53.8 | -52.3 | 176.4 | 171.8 | 0 | 0 | 0 | 0 | 111.5 | E18 L19 Q20 K34 L37 | V16-E18 VanDerWaalsContact C-N 3.32Å; V16-E18 PolarHBondContact O-N 2.83Å; V16-L19 PolarHBondContact O-N 3.05Å; V16-Q20 HydrophobicContact CG1-CG 4.44Å; V16-Q20 VanDerWaalsContact O-CG 3.26Å; V16-Q20 WeakPolarHBondContact O-CG 3.48Å; V16-Q20 PolarHBondContact O-N 3.22Å; V16-K34 HydrophobicContact CG2-CB 3.74Å; V16-K34 HydrophobicContact CG2-CG 4.02Å; V16-L37 HydrophobicContact CG1-CD1 3.81Å |
| 17 | S | 93.5 | Very high | 93.7 | Very high | 66 Ų | 66 | 48.6 Ų | 48.6 | 46% | 0.462 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -58.5 | -40.9 | 178.8 | 48.2 | 0 | 0 | 0 | 0 | 113.3 | R15 Q20 V21 | R15-S17 PolarHBondContact O-N 2.9Å; S17-Q20 WeakPolarHBondContact O-CB 3.3Å; S17-Q20 PolarHBondContact O-N 3.01Å; S17-V21 WeakPolarHBondContact O-CG2 3.43Å; S17-V21 PolarHBondContact O-N 3.08Å |
| 18 | E | 94.8 | Very high | 93.6 | Very high | 26 Ų | 26 | 56 Ų | 56 | 12% | 0.121 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -68.1 | -40.9 | 178.5 | -64.6 | 151.9 | -158.5 | 0 | 0 | 111.3 | L14 R15 V16 Q20 V21 L22 L60 R64 | L14-E18 WeakPolarHBondContact CA-OE2 3.38Å; L14-E18 HydrophobicContact CB-CB 4.03Å; L14-E18 HydrophobicContact CD1-CB 4.49Å; L14-E18 HydrophobicContact CD2-CB 4.17Å; L14-E18 HydrophobicContact CG-CB 4.44Å; R15-E18 HydrophobicContact CB-CG 4.31Å; R15-E18 WeakPolarHBondContact CD-OE1 3.49Å; R15-E18 WeakPolarHBondContact CG-OE1 3.48Å; R15-E18 IonicContact CZ-OE1 3.45Å; R15-E18 PolarHBondContact N-OE2 2.87Å; R15-E18 IonicContact NE-OE1 3.41Å; R15-E18 IonicContact NH1-OE1 2.72Å; R15-E18 PolarHBondContact NH1-OE1 2.74Å; R15-E18 PolarHBondContact O-N 2.84Å; V16-E18 VanDerWaalsContact C-N 3.32Å; V16-E18 PolarHBondContact O-N 2.83Å; E18-Q20 VanDerWaalsContact C-N 3.34Å; E18-Q20 PolarHBondContact O-N 3.32Å; E18-V21 PolarHBondContact O-N 3.01Å; E18-L22 WeakPolarHBondContact O-CB 3.39Å; E18-L22 PolarHBondContact O-N 3.15Å; E18-L60 WeakPolarHBondContact O-CD1 3.24Å; E18-R64 VanDerWaalsContact OE2-CD 3.23Å; E18-R64 WeakPolarHBondContact OE2-CD 3.18Å; E18-R64 IonicContact OE2-NE 2.68Å |
| 19 | L | 96.2 | Very high | 93.5 | Very high | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -64.2 | -36.4 | 172.3 | -69.8 | 166.6 | 0 | 0 | 0 | 112.1 | V11 L14 R15 V16 L22 L23 K34 L37 L38 A41 | V11-L19 HydrophobicContact CG1-CD2 4.18Å; L14-L19 HydrophobicContact CB-CD2 4.05Å; L14-L19 HydrophobicContact CB-CG 3.93Å; L14-L19 HydrophobicContact CD1-CD2 4.22Å; R15-L19 WeakPolarHBondContact O-CG 3.25Å; R15-L19 PolarHBondContact O-N 2.81Å; V16-L19 PolarHBondContact O-N 3.05Å; L19-L22 PolarHBondContact O-N 3.17Å; L19-L23 WeakPolarHBondContact O-CB 3.45Å; L19-L23 VanDerWaalsContact O-CG 3.31Å; L19-L23 WeakPolarHBondContact O-CG 3.41Å; L19-L23 PolarHBondContact O-N 3.04Å; L19-K34 HydrophobicContact CD1-CG 4.34Å; L19-L37 HydrophobicContact CB-CB 4.07Å; L19-L37 HydrophobicContact CD1-CB 4.13Å; L19-L38 HydrophobicContact CD1-CB 4.29Å; L19-L38 HydrophobicContact CD2-CD1 4.44Å; L19-A41 HydrophobicContact CD2-CB 3.86Å |
| 20 | Q | 95.1 | Very high | 93.5 | Very high | 67 Ų | 67 | 54.5 Ų | 54.5 | 31% | 0.313 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -66.7 | -40.5 | 175.3 | -69.9 | -179.9 | -44.5 | 0 | 0 | 112.2 | V16 S17 E18 G24 K30 L37 | V16-Q20 HydrophobicContact CG1-CG 4.44Å; V16-Q20 VanDerWaalsContact O-CG 3.26Å; V16-Q20 WeakPolarHBondContact O-CG 3.48Å; V16-Q20 PolarHBondContact O-N 3.22Å; S17-Q20 WeakPolarHBondContact O-CB 3.3Å; S17-Q20 PolarHBondContact O-N 3.01Å; E18-Q20 VanDerWaalsContact C-N 3.34Å; E18-Q20 PolarHBondContact O-N 3.32Å; Q20-G24 PolarHBondContact O-N 2.98Å; Q20-K30 HydrophobicContact CB-CB 4.35Å; Q20-K30 VanDerWaalsContact CG-O 3.3Å; Q20-K30 WeakPolarHBondContact CG-O 3.48Å; Q20-K30 PolarHBondContact NE2-O 2.81Å; Q20-L37 HydrophobicContact CG-CD1 3.89Å; Q20-L37 HydrophobicContact CG-CD2 4.44Å |
| 21 | V | 94.1 | Very high | 93.3 | Very high | 75 Ų | 75 | 59 Ų | 59 | 46% | 0.455 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -62.9 | -45.8 | 172.9 | 170.1 | 0 | 0 | 0 | 0 | 110.6 | S17 E18 G24 Y25 L60 | S17-V21 WeakPolarHBondContact O-CG2 3.43Å; S17-V21 PolarHBondContact O-N 3.08Å; E18-V21 PolarHBondContact O-N 3.01Å; V21-G24 PolarHBondContact O-N 3.23Å; V21-Y25 VanDerWaalsContact O-CB 3.31Å; V21-Y25 WeakPolarHBondContact O-CB 3.49Å; V21-Y25 PolarHBondContact O-N 2.99Å; V21-L60 HydrophobicContact CG1-CD2 4.15Å |
| 22 | L | 94.7 | Very high | 93.1 | Very high | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -60.7 | -47.2 | 177.8 | 179.7 | 61.9 | 0 | 0 | 0 | 112.5 | V11 L14 E18 L19 Y25 A26 A41 V53 K56 I57 L60 | V11-L22 HydrophobicContact CG2-CD2 4.15Å; L14-L22 HydrophobicContact CD1-CD2 4.23Å; E18-L22 WeakPolarHBondContact O-CB 3.39Å; E18-L22 PolarHBondContact O-N 3.15Å; L19-L22 PolarHBondContact O-N 3.17Å; L22-Y25 PolarHBondContact O-N 2.73Å; L22-A26 WeakPolarHBondContact O-CB 3.13Å; L22-A26 PolarHBondContact O-N 3.3Å; L22-A26 VanDerWaalsContact O-N 3.1Å; L22-A41 HydrophobicContact CD2-CB 4.12Å; L22-V53 HydrophobicContact CD1-CG1 3.67Å; L22-K56 HydrophobicContact CD1-CB 4.42Å; L22-I57 HydrophobicContact CD1-CD1 4.42Å; L22-I57 HydrophobicContact CD1-CG1 3.62Å; L22-I57 HydrophobicContact CD2-CD1 4.36Å; L22-I57 HydrophobicContact CD2-CG1 3.8Å; L22-I57 HydrophobicContact CG-CG1 4.38Å; L22-L60 HydrophobicContact CB-CD1 3.85Å; L22-L60 HydrophobicContact CD1-CD1 4.49Å |
| 23 | L | 94.8 | Very high | 93.1 | Very high | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -68.2 | -39.8 | 179.4 | -71.8 | 167.5 | 0 | 0 | 0 | 111.8 | L19 A26 G27 R28 L37 K40 | L19-L23 WeakPolarHBondContact O-CB 3.45Å; L19-L23 VanDerWaalsContact O-CG 3.31Å; L19-L23 WeakPolarHBondContact O-CG 3.41Å; L19-L23 PolarHBondContact O-N 3.04Å; L23-A26 CarbonylContact O-C 3.59Å; L23-A26 PolarHBondContact O-N 2.98Å; L23-G27 PolarHBondContact O-N 2.98Å; L23-R28 HydrophobicContact CB-CB 4.25Å; L23-R28 HydrophobicContact CD2-CB 3.85Å; L23-R28 HydrophobicContact CD2-CG 4.43Å; L23-R28 PolarHBondContact O-N 2.91Å; L23-L37 HydrophobicContact CD1-CB 4.17Å; L23-L37 HydrophobicContact CD1-CD2 3.63Å; L23-K40 HydrophobicContact CD1-CB 4.04Å; L23-K40 HydrophobicContact CD1-CD 4.37Å; L23-K40 HydrophobicContact CD2-CB 3.81Å |
| 24 | G | 92.7 | Very high | 93.1 | Very high | 41 Ų | 41 | 69.7 Ų | 69.7 | 42% | 0.423 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -62.1 | -43.8 | 174 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q20 V21 A26 G27 | Q20-G24 PolarHBondContact O-N 2.98Å; V21-G24 PolarHBondContact O-N 3.23Å; G24-A26 PolarHBondContact O-N 2.92Å; G24-G27 PolarHBondContact O-N 3.25Å; G24-G27 VanDerWaalsContact O-N 3.09Å |
| 25 | Y | 92.2 | Very high | 93.2 | Very high | 82 Ų | 82 | 76.3 Ų | 76.3 | 32% | 0.322 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -60.2 | -33.9 | 174.2 | -177.7 | -95.7 | 0 | 0 | 0 | 112.4 | V21 L22 G27 A52 V53 K56 S208 | V21-Y25 VanDerWaalsContact O-CB 3.31Å; V21-Y25 WeakPolarHBondContact O-CB 3.49Å; V21-Y25 PolarHBondContact O-N 2.99Å; L22-Y25 PolarHBondContact O-N 2.73Å; Y25-G27 VanDerWaalsContact C-N 3.35Å; Y25-A52 HydrophobicContact CE1-CB 4.38Å; Y25-V53 HydrophobicContact CD1-CG2 4.06Å; Y25-V53 HydrophobicContact CE1-CG2 4.04Å; Y25-K56 HydrophobicContact CD1-CB 3.89Å; Y25-K56 HydrophobicContact CD1-CG 3.95Å; Y25-K56 HydrophobicContact CD2-CD 4.42Å; Y25-K56 HydrophobicContact CD2-CG 4.31Å; Y25-K56 HydrophobicContact CE1-CB 3.87Å; Y25-K56 HydrophobicContact CE1-CG 4.28Å; Y25-K56 HydrophobicContact CE2-CD 4.48Å; Y25-K56 HydrophobicContact CG-CB 4.42Å; Y25-K56 HydrophobicContact CG-CG 3.98Å; Y25-S208 PolarHBondContact OH-O 2.94Å |
| 26 | A | 90.9 | Very high | 93.2 | Very high | 29 Ų | 29 | 73.9 Ų | 73.9 | 24% | 0.24 | 39% | 0.387 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.4 | 9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 115 | L22 L23 G24 R28 L44 V53 | L22-A26 WeakPolarHBondContact O-CB 3.13Å; L22-A26 PolarHBondContact O-N 3.3Å; L22-A26 VanDerWaalsContact O-N 3.1Å; L23-A26 CarbonylContact O-C 3.59Å; L23-A26 PolarHBondContact O-N 2.98Å; G24-A26 PolarHBondContact O-N 2.92Å; A26-R28 VanDerWaalsContact C-N 3.26Å; A26-R28 HydrophobicContact CB-CG 4.37Å; A26-R28 PolarHBondContact O-N 2.9Å; A26-L44 HydrophobicContact CB-CD1 3.28Å; A26-V53 HydrophobicContact CB-CG2 4.22Å |
| 27 | G | 90.5 | Very high | 93.3 | Very high | 72 Ų | 72 | 71 Ų | 71 | 74% | 0.742 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.9 | 22.2 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | L23 G24 Y25 | L23-G27 PolarHBondContact O-N 2.98Å; G24-G27 PolarHBondContact O-N 3.25Å; G24-G27 VanDerWaalsContact O-N 3.09Å; Y25-G27 VanDerWaalsContact C-N 3.35Å |
| 28 | R | 89.4 | Confident | 93.4 | Very high | 159 Ų | 159 | 69.3 Ų | 69.3 | 60% | 0.6 | 36% | 0.355 | S | S | * | . | trans | -103.4 | 158.7 | -179.6 | -62.4 | -63.4 | -171.9 | 157.8 | 1.6 | 111.7 | L23 A26 K30 | L23-R28 HydrophobicContact CB-CB 4.25Å; L23-R28 HydrophobicContact CD2-CB 3.85Å; L23-R28 HydrophobicContact CD2-CG 4.43Å; L23-R28 PolarHBondContact O-N 2.91Å; A26-R28 VanDerWaalsContact C-N 3.26Å; A26-R28 HydrophobicContact CB-CG 4.37Å; A26-R28 PolarHBondContact O-N 2.9Å; R28-K30 PolarHBondContact O-N 2.76Å | ||
| 29 | N | 90.4 | Very high | 93.4 | Very high | 98 Ų | 98 | 71.3 Ų | 71.3 | 52% | 0.524 | 37% | 0.369 | S | S | . | . | trans | -62.6 | 118.3 | 179.8 | -176.9 | -9.8 | 0 | 0 | 0 | 112 | H31 | N29-H31 PolarHBondContact O-N 2.68Å; N29-H31 PolarHBondContact OD1-N 2.58Å; N29-H31 PolarHBondContact OD1-ND1 3.27Å | ||
| 30 | K | 92.9 | Very high | 93.3 | Very high | 110 Ų | 110 | 74.8 Ų | 74.8 | 48% | 0.478 | 38% | 0.384 | S | S | . | . | trans | -82.7 | 5.2 | -177.9 | 67.6 | -177.2 | 179.5 | -177.8 | 0 | 115.7 | Q20 R28 | Q20-K30 HydrophobicContact CB-CB 4.35Å; Q20-K30 VanDerWaalsContact CG-O 3.3Å; Q20-K30 WeakPolarHBondContact CG-O 3.48Å; Q20-K30 PolarHBondContact NE2-O 2.81Å; R28-K30 PolarHBondContact O-N 2.76Å | ||
| 31 | H | 91.6 | Very high | 93.2 | Very high | 113 Ų | 113 | 71.6 Ų | 71.6 | 52% | 0.523 | 37% | 0.369 | S | S | . | . | trans | -102.1 | 148.5 | -178.7 | -52 | 100.4 | 0 | 0 | 0 | 112.1 | N29 K40 | N29-H31 PolarHBondContact O-N 2.68Å; N29-H31 PolarHBondContact OD1-N 2.58Å; N29-H31 PolarHBondContact OD1-ND1 3.27Å; H31-K40 PolarHBondContact O-NZ 3.29Å | ||
| 32 | G | 90.8 | Very high | 93.2 | Very high | 34 Ų | 34 | 70 Ų | 70 | 35% | 0.351 | 36% | 0.358 | S | S | . | . | S | Bend | trans | 137.5 | 170.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | E36 L37 | G32-E36 WeakPolarHBondContact CA-OE2 3.08Å; G32-L37 WeakPolarHBondContact O-CD1 3.29Å |
| 33 | R | 93.5 | Very high | 93 | Very high | 200 Ų | 200 | 76 Ų | 76 | 76% | 0.755 | 39% | 0.386 | S | S | * | . | trans | -70.1 | 164 | 172.9 | -60.4 | 176.9 | 179 | -175.9 | 1.7 | 110.9 | H35 E36 L37 | R33-H35 PolarHBondContact O-N 2.91Å; R33-H35 VanDerWaalsContact O-N 3.14Å; R33-E36 VanDerWaalsContact CB-OE1 3.29Å; R33-E36 WeakPolarHBondContact CB-OE1 3.3Å; R33-E36 WeakPolarHBondContact CD-OE1 3.4Å; R33-E36 VanDerWaalsContact CG-OE1 3.27Å; R33-E36 WeakPolarHBondContact CG-OE1 3.46Å; R33-E36 VanDerWaalsContact N-CD 3.3Å; R33-E36 PolarHBondContact N-OE1 3.11Å; R33-E36 PolarHBondContact N-OE2 3.24Å; R33-E36 WeakPolarHBondContact O-CB 3.14Å; R33-E36 PolarHBondContact O-N 2.81Å; R33-L37 PolarHBondContact O-N 2.89Å | ||
| 34 | K | 94.7 | Very high | 92.7 | Very high | 101 Ų | 101 | 77 Ų | 77 | 44% | 0.439 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -50.6 | -43.7 | -179.1 | -171.4 | -176.7 | 177.1 | -174.4 | 0 | 112.6 | L14 V16 L19 L38 | L14-K34 VanDerWaalsContact O-CE 3.26Å; L14-K34 WeakPolarHBondContact O-CE 3.41Å; V16-K34 HydrophobicContact CG2-CB 3.74Å; V16-K34 HydrophobicContact CG2-CG 4.02Å; L19-K34 HydrophobicContact CD1-CG 4.34Å; K34-L38 WeakPolarHBondContact O-CB 3.27Å; K34-L38 PolarHBondContact O-N 2.88Å |
| 35 | H | 95.1 | Very high | 92.5 | Very high | 139 Ų | 139 | 76.1 Ų | 76.1 | 64% | 0.644 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -64.7 | -42.4 | 178.8 | 179.8 | 72.2 | 0 | 0 | 0 | 112.6 | R33 L38 T39 | R33-H35 PolarHBondContact O-N 2.91Å; R33-H35 VanDerWaalsContact O-N 3.14Å; H35-L38 PolarHBondContact O-N 2.87Å; H35-T39 WeakPolarHBondContact O-CB 3.32Å; H35-T39 PolarHBondContact O-N 3.31Å; H35-T39 PolarHBondContact O-OG1 3.4Å; H35-T39 VanDerWaalsContact O-OG1 3.08Å |
| 36 | E | 94.6 | Very high | 92 | Very high | 80 Ų | 80 | 80.8 Ų | 80.8 | 37% | 0.374 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -65 | -45.3 | 177.6 | -64.2 | 153 | -138.3 | 0 | 0 | 111.8 | G32 R33 L38 T39 K40 | G32-E36 WeakPolarHBondContact CA-OE2 3.08Å; R33-E36 VanDerWaalsContact CB-OE1 3.29Å; R33-E36 WeakPolarHBondContact CB-OE1 3.3Å; R33-E36 WeakPolarHBondContact CD-OE1 3.4Å; R33-E36 VanDerWaalsContact CG-OE1 3.27Å; R33-E36 WeakPolarHBondContact CG-OE1 3.46Å; R33-E36 VanDerWaalsContact N-CD 3.3Å; R33-E36 PolarHBondContact N-OE1 3.11Å; R33-E36 PolarHBondContact N-OE2 3.24Å; R33-E36 WeakPolarHBondContact O-CB 3.14Å; R33-E36 PolarHBondContact O-N 2.81Å; E36-L38 VanDerWaalsContact C-N 3.33Å; E36-L38 PolarHBondContact O-N 3.14Å; E36-T39 PolarHBondContact O-N 2.85Å; E36-K40 VanDerWaalsContact O-CG 3.26Å; E36-K40 WeakPolarHBondContact O-CG 3.24Å; E36-K40 PolarHBondContact O-N 3.14Å |
| 37 | L | 96.4 | Very high | 91.3 | Very high | 0 Ų | 0 | 82.9 Ų | 82.9 | 0% | 0 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -63.1 | -40.7 | 176.2 | -64.4 | 171.6 | 0 | 0 | 0 | 111.3 | V16 L19 Q20 L23 G32 R33 K40 A41 | V16-L37 HydrophobicContact CG1-CD1 3.81Å; L19-L37 HydrophobicContact CB-CB 4.07Å; L19-L37 HydrophobicContact CD1-CB 4.13Å; Q20-L37 HydrophobicContact CG-CD1 3.89Å; Q20-L37 HydrophobicContact CG-CD2 4.44Å; L23-L37 HydrophobicContact CD1-CB 4.17Å; L23-L37 HydrophobicContact CD1-CD2 3.63Å; G32-L37 WeakPolarHBondContact O-CD1 3.29Å; R33-L37 PolarHBondContact O-N 2.89Å; L37-K40 PolarHBondContact O-N 3.44Å; L37-A41 WeakPolarHBondContact O-CB 3.15Å; L37-A41 PolarHBondContact O-N 2.83Å |
| 38 | L | 95.9 | Very high | 90.4 | Very high | 30 Ų | 30 | 82.7 Ų | 82.7 | 16% | 0.157 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -63.6 | -46.2 | 175.2 | -179.4 | 65.2 | 0 | 0 | 0 | 111.1 | V11 M12 L19 K34 H35 E36 K40 A41 L42 | V11-L38 HydrophobicContact CG1-CD1 3.79Å; M12-L38 HydrophobicContact CG-CD1 4.22Å; L19-L38 HydrophobicContact CD1-CB 4.29Å; L19-L38 HydrophobicContact CD2-CD1 4.44Å; K34-L38 WeakPolarHBondContact O-CB 3.27Å; K34-L38 PolarHBondContact O-N 2.88Å; H35-L38 PolarHBondContact O-N 2.87Å; E36-L38 VanDerWaalsContact C-N 3.33Å; E36-L38 PolarHBondContact O-N 3.14Å; L38-K40 VanDerWaalsContact C-N 3.35Å; L38-K40 PolarHBondContact O-N 3.21Å; L38-A41 PolarHBondContact O-N 2.94Å; L38-L42 HydrophobicContact CD1-CD1 4.26Å; L38-L42 HydrophobicContact CD1-CG 4.18Å; L38-L42 HydrophobicContact CG-CD1 4.04Å; L38-L42 HydrophobicContact CG-CG 4.33Å; L38-L42 WeakPolarHBondContact O-CB 3.49Å; L38-L42 VanDerWaalsContact O-CG 3.31Å; L38-L42 WeakPolarHBondContact O-CG 3.36Å; L38-L42 PolarHBondContact O-N 3.49Å |
| 39 | T | 94.8 | Very high | 89.8 | Confident | 67 Ų | 67 | 75.9 Ų | 75.9 | 41% | 0.411 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -60.1 | -43.3 | 176.3 | -67.2 | 0 | 0 | 0 | 0 | 111.4 | H35 E36 A41 L42 H43 | H35-T39 WeakPolarHBondContact O-CB 3.32Å; H35-T39 PolarHBondContact O-N 3.31Å; H35-T39 PolarHBondContact O-OG1 3.4Å; H35-T39 VanDerWaalsContact O-OG1 3.08Å; E36-T39 PolarHBondContact O-N 2.85Å; T39-A41 PolarHBondContact O-N 2.85Å; T39-L42 PolarHBondContact O-N 2.84Å; T39-H43 WeakPolarHBondContact O-CB 3.27Å; T39-H43 PolarHBondContact O-N 2.91Å |
| 40 | K | 94.1 | Very high | 89.6 | Confident | 74 Ų | 74 | 74 Ų | 74 | 32% | 0.322 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -59.5 | -45.4 | 173.3 | -69.7 | 166.8 | -174.3 | -178.8 | 0 | 112 | L23 H31 E36 L37 L38 H43 L44 | L23-K40 HydrophobicContact CD1-CB 4.04Å; L23-K40 HydrophobicContact CD1-CD 4.37Å; L23-K40 HydrophobicContact CD2-CB 3.81Å; H31-K40 PolarHBondContact O-NZ 3.29Å; E36-K40 VanDerWaalsContact O-CG 3.26Å; E36-K40 WeakPolarHBondContact O-CG 3.24Å; E36-K40 PolarHBondContact O-N 3.14Å; L37-K40 PolarHBondContact O-N 3.44Å; L38-K40 VanDerWaalsContact C-N 3.35Å; L38-K40 PolarHBondContact O-N 3.21Å; K40-H43 PolarHBondContact O-N 2.73Å; K40-L44 PolarHBondContact O-N 3.36Å; K40-L44 VanDerWaalsContact O-N 3.1Å |
| 41 | A | 94 | Very high | 89.2 | Confident | 0 Ų | 0 | 73.4 Ų | 73.4 | 0% | 0 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -68.8 | -35.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | V11 L19 L22 L37 L38 T39 L44 L45 | V11-A41 HydrophobicContact CG1-CB 3.7Å; L19-A41 HydrophobicContact CD2-CB 3.86Å; L22-A41 HydrophobicContact CD2-CB 4.12Å; L37-A41 WeakPolarHBondContact O-CB 3.15Å; L37-A41 PolarHBondContact O-N 2.83Å; L38-A41 PolarHBondContact O-N 2.94Å; T39-A41 PolarHBondContact O-N 2.85Å; A41-L44 WeakPolarHBondContact O-CB 3.44Å; A41-L44 PolarHBondContact O-N 2.96Å; A41-L45 PolarHBondContact O-N 3.36Å |
| 42 | L | 93.7 | Very high | 89 | Confident | 40 Ų | 40 | 70.1 Ų | 70.1 | 21% | 0.209 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -71.6 | -32.8 | 173.6 | -69.7 | -179.6 | 0 | 0 | 0 | 112.3 | K8 V11 M12 L38 T39 L44 L45 K46 | K8-L42 HydrophobicContact CG-CD2 3.83Å; V11-L42 HydrophobicContact CB-CD2 4.35Å; V11-L42 HydrophobicContact CG1-CD2 3.92Å; V11-L42 HydrophobicContact CG1-CG 4.33Å; M12-L42 HydrophobicContact CG-CD1 4.46Å; M12-L42 HydrophobicContact CG-CD2 4.46Å; L38-L42 HydrophobicContact CD1-CD1 4.26Å; L38-L42 HydrophobicContact CD1-CG 4.18Å; L38-L42 HydrophobicContact CG-CD1 4.04Å; L38-L42 HydrophobicContact CG-CG 4.33Å; L38-L42 WeakPolarHBondContact O-CB 3.49Å; L38-L42 VanDerWaalsContact O-CG 3.31Å; L38-L42 WeakPolarHBondContact O-CG 3.36Å; L38-L42 PolarHBondContact O-N 3.49Å; T39-L42 PolarHBondContact O-N 2.84Å; L42-L44 VanDerWaalsContact C-N 3.31Å; L42-L45 HydrophobicContact CD2-CD1 4.24Å; L42-L45 PolarHBondContact O-N 2.63Å; L42-K46 PolarHBondContact O-N 2.87Å; L42-K46 VanDerWaalsContact O-N 3.17Å |
| 43 | H | 90.9 | Very high | 89 | Confident | 127 Ų | 127 | 69 Ų | 69 | 59% | 0.588 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -65.5 | -37.8 | 172.8 | -143.4 | 120.4 | 0 | 0 | 0 | 111.2 | T39 K40 L45 K46 A47 | T39-H43 WeakPolarHBondContact O-CB 3.27Å; T39-H43 PolarHBondContact O-N 2.91Å; K40-H43 PolarHBondContact O-N 2.73Å; H43-L45 VanDerWaalsContact C-N 3.28Å; H43-L45 PolarHBondContact O-N 2.96Å; H43-K46 PolarHBondContact O-N 2.81Å; H43-K46 VanDerWaalsContact O-N 3.15Å; H43-A47 WeakPolarHBondContact O-CB 3.12Å; H43-A47 PolarHBondContact O-N 2.6Å |
| 44 | L | 88.5 | Confident | 88.9 | Confident | 20 Ų | 20 | 62.2 Ų | 62.2 | 11% | 0.105 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -60.7 | -35.2 | 173.2 | 178.2 | 150.2 | 0 | 0 | 0 | 112.6 | A26 K40 A41 L42 C49 V53 | A26-L44 HydrophobicContact CB-CD1 3.28Å; K40-L44 PolarHBondContact O-N 3.36Å; K40-L44 VanDerWaalsContact O-N 3.1Å; A41-L44 WeakPolarHBondContact O-CB 3.44Å; A41-L44 PolarHBondContact O-N 2.96Å; L42-L44 VanDerWaalsContact C-N 3.31Å; L44-C49 HydrophobicContact CD2-CB 3.99Å; L44-C49 VanDerWaalsContact CD2-SG 3.52Å; L44-V53 HydrophobicContact CD1-CG1 4.19Å; L44-V53 HydrophobicContact CD2-CB 4.38Å; L44-V53 HydrophobicContact CD2-CG1 3.53Å |
| 45 | L | 87.7 | Confident | 88.7 | Confident | 23 Ų | 23 | 62.3 Ų | 62.3 | 12% | 0.12 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -67.9 | -40.9 | 172.4 | -71.3 | 179.2 | 0 | 0 | 0 | 112.5 | L7 K8 V11 A41 L42 H43 C49 I57 | L7-L45 HydrophobicContact CB-CD1 4.16Å; L7-L45 HydrophobicContact CB-CD2 4.05Å; L7-L45 HydrophobicContact CD1-CD2 4.29Å; K8-L45 HydrophobicContact CB-CD1 4.31Å; V11-L45 HydrophobicContact CB-CD1 4.43Å; V11-L45 HydrophobicContact CG2-CD1 4.05Å; A41-L45 PolarHBondContact O-N 3.36Å; L42-L45 HydrophobicContact CD2-CD1 4.24Å; L42-L45 PolarHBondContact O-N 2.63Å; H43-L45 VanDerWaalsContact C-N 3.28Å; H43-L45 PolarHBondContact O-N 2.96Å; L45-C49 HydrophobicContact CD2-CB 3.92Å; L45-I57 HydrophobicContact CD2-CD1 3.7Å; L45-I57 HydrophobicContact CG-CD1 4.43Å |
| 46 | K | 82.3 | Confident | 88.5 | Confident | 181 Ų | 181 | 56 Ų | 56 | 79% | 0.787 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -66.9 | -35 | 178.3 | -72.1 | -173.7 | 175.4 | -172.3 | 0 | 113.5 | L42 H43 G48 | L42-K46 PolarHBondContact O-N 2.87Å; L42-K46 VanDerWaalsContact O-N 3.17Å; H43-K46 PolarHBondContact O-N 2.81Å; H43-K46 VanDerWaalsContact O-N 3.15Å; K46-G48 PolarHBondContact O-N 2.94Å |
| 47 | A | 75.2 | Confident | 88.5 | Confident | 73 Ų | 73 | 52.2 Ų | 52.2 | 60% | 0.603 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.4 | 12.5 | -173.6 | 0 | 0 | 0 | 0 | 0 | 115 | H43 | H43-A47 WeakPolarHBondContact O-CB 3.12Å; H43-A47 PolarHBondContact O-N 2.6Å |
| 48 | G | 70.9 | Confident | 88.2 | Confident | 67 Ų | 67 | 55.2 Ų | 55.2 | 69% | 0.691 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.1 | 74 | -174.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | K46 S50 | K46-G48 PolarHBondContact O-N 2.94Å; G48-S50 PolarHBondContact O-N 2.68Å |
| 49 | C | 78.2 | Confident | 88 | Confident | 16 Ų | 16 | 54.2 Ų | 54.2 | 11% | 0.108 | 31% | 0.311 | C | S | . | . | trans | -64.1 | 123.1 | 179 | -179.8 | 0 | 0 | 0 | 0 | 112.1 | L44 L45 Q54 | L44-C49 HydrophobicContact CD2-CB 3.99Å; L44-C49 VanDerWaalsContact CD2-SG 3.52Å; L45-C49 HydrophobicContact CD2-CB 3.92Å; C49-Q54 HydrophobicContact CB-CG 4.19Å; C49-Q54 PolarHBondContact O-NE2 2.94Å; C49-Q54 VanDerWaalsContact SG-CG 3.52Å | ||
| 50 | S | 85 | Confident | 87.9 | Confident | 58 Ų | 58 | 51.4 Ų | 51.4 | 41% | 0.406 | 29% | 0.294 | S | S | . | . | trans | -64.3 | 150.5 | 178.8 | 72.5 | 0 | 0 | 0 | 0 | 111.9 | G48 A52 V53 Q54 | G48-S50 PolarHBondContact O-N 2.68Å; S50-A52 PolarHBondContact O-N 3.49Å; S50-A52 VanDerWaalsContact O-N 3.12Å; S50-V53 PolarHBondContact O-N 3.37Å; S50-V53 WeakPolarHBondContact OG-CG2 3.35Å; S50-Q54 PolarHBondContact O-N 3.43Å; S50-Q54 VanDerWaalsContact O-N 3.07Å | ||
| 51 | P | 85.7 | Confident | 87.9 | Confident | 98 Ų | 98 | 51.5 Ų | 51.5 | 64% | 0.636 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -54.1 | -36.2 | -178.7 | -28.2 | 35.6 | 0 | 0 | 0 | 113.6 | V53 Q54 M55 | P51-V53 VanDerWaalsContact C-N 3.35Å; P51-V53 PolarHBondContact O-N 3.26Å; P51-Q54 PolarHBondContact O-N 3Å; P51-M55 VanDerWaalsContact O-CG 3.32Å; P51-M55 WeakPolarHBondContact O-CG 3.31Å; P51-M55 PolarHBondContact O-N 3.3Å |
| 52 | A | 86.6 | Confident | 87.7 | Confident | 44 Ų | 44 | 58 Ų | 58 | 36% | 0.364 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -59.8 | -41 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y25 S50 M55 K56 | Y25-A52 HydrophobicContact CE1-CB 4.38Å; S50-A52 PolarHBondContact O-N 3.49Å; S50-A52 VanDerWaalsContact O-N 3.12Å; A52-M55 PolarHBondContact O-N 3.02Å; A52-K56 PolarHBondContact O-N 3.48Å |
| 53 | V | 91.2 | Very high | 87.4 | Confident | 11 Ų | 11 | 61.6 Ų | 61.6 | 7% | 0.067 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -77 | -34 | 178.6 | -175.7 | 0 | 0 | 0 | 0 | 111.3 | L22 Y25 A26 L44 S50 P51 M55 K56 I57 | L22-V53 HydrophobicContact CD1-CG1 3.67Å; Y25-V53 HydrophobicContact CD1-CG2 4.06Å; Y25-V53 HydrophobicContact CE1-CG2 4.04Å; A26-V53 HydrophobicContact CB-CG2 4.22Å; L44-V53 HydrophobicContact CD1-CG1 4.19Å; L44-V53 HydrophobicContact CD2-CB 4.38Å; L44-V53 HydrophobicContact CD2-CG1 3.53Å; S50-V53 PolarHBondContact O-N 3.37Å; S50-V53 WeakPolarHBondContact OG-CG2 3.35Å; P51-V53 VanDerWaalsContact C-N 3.35Å; P51-V53 PolarHBondContact O-N 3.26Å; V53-M55 VanDerWaalsContact C-N 3.31Å; V53-M55 PolarHBondContact O-N 2.96Å; V53-K56 PolarHBondContact O-N 3.26Å; V53-I57 WeakPolarHBondContact O-CG1 3.13Å; V53-I57 PolarHBondContact O-N 3.25Å |
| 54 | Q | 91.4 | Very high | 87 | Confident | 58 Ų | 58 | 58.8 Ų | 58.8 | 27% | 0.271 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -59.9 | -42.7 | 170.4 | -58.7 | -177.3 | 25.8 | 0 | 0 | 111.5 | L7 C49 S50 P51 I57 K58 | L7-Q54 HydrophobicContact CD1-CB 4.12Å; L7-Q54 HydrophobicContact CD1-CG 3.8Å; L7-Q54 HydrophobicContact CD2-CB 4.37Å; C49-Q54 HydrophobicContact CB-CG 4.19Å; C49-Q54 PolarHBondContact O-NE2 2.94Å; C49-Q54 VanDerWaalsContact SG-CG 3.52Å; S50-Q54 PolarHBondContact O-N 3.43Å; S50-Q54 VanDerWaalsContact O-N 3.07Å; P51-Q54 PolarHBondContact O-N 3Å; Q54-I57 PolarHBondContact O-N 2.67Å; Q54-K58 PolarHBondContact O-N 3.21Å; Q54-K58 VanDerWaalsContact O-N 3.07Å |
| 55 | M | 90 | Very high | 86.9 | Confident | 103 Ų | 103 | 62.3 Ų | 62.3 | 51% | 0.507 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -61.8 | -42.3 | 173.4 | -72.2 | -67.2 | -79 | 0 | 0 | 111.7 | P51 A52 V53 I57 K58 E59 | P51-M55 VanDerWaalsContact O-CG 3.32Å; P51-M55 WeakPolarHBondContact O-CG 3.31Å; P51-M55 PolarHBondContact O-N 3.3Å; A52-M55 PolarHBondContact O-N 3.02Å; V53-M55 VanDerWaalsContact C-N 3.31Å; V53-M55 PolarHBondContact O-N 2.96Å; M55-I57 VanDerWaalsContact C-N 3.34Å; M55-I57 PolarHBondContact O-N 2.84Å; M55-K58 PolarHBondContact O-N 3.33Å; M55-E59 WeakPolarHBondContact O-CB 3.4Å; M55-E59 PolarHBondContact O-N 3.1Å |
| 56 | K | 92 | Very high | 86.2 | Confident | 7 Ų | 7 | 65.9 Ų | 65.9 | 3% | 0.03 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -65.5 | -34.1 | 176.8 | -158.2 | 60.2 | 167.8 | 179.2 | 0 | 112.9 | L22 Y25 A52 V53 E59 L60 E206 S208 | L22-K56 HydrophobicContact CD1-CB 4.42Å; Y25-K56 HydrophobicContact CD1-CB 3.89Å; Y25-K56 HydrophobicContact CD1-CG 3.95Å; Y25-K56 HydrophobicContact CD2-CD 4.42Å; Y25-K56 HydrophobicContact CD2-CG 4.31Å; Y25-K56 HydrophobicContact CE1-CB 3.87Å; Y25-K56 HydrophobicContact CE1-CG 4.28Å; Y25-K56 HydrophobicContact CE2-CD 4.48Å; Y25-K56 HydrophobicContact CG-CB 4.42Å; Y25-K56 HydrophobicContact CG-CG 3.98Å; A52-K56 PolarHBondContact O-N 3.48Å; V53-K56 PolarHBondContact O-N 3.26Å; K56-E59 VanDerWaalsContact CD-OE2 3.3Å; K56-E59 WeakPolarHBondContact CD-OE2 3.4Å; K56-E59 IonicContact NZ-OE1 3.93Å; K56-E59 PolarHBondContact NZ-OE1 3.29Å; K56-E59 IonicContact NZ-OE2 3.17Å; K56-E59 PolarHBondContact NZ-OE2 3.2Å; K56-E59 PolarHBondContact O-N 3.11Å; K56-L60 HydrophobicContact CG-CD1 4.41Å; K56-L60 WeakPolarHBondContact O-CB 3.24Å; K56-L60 VanDerWaalsContact O-CG 3.27Å; K56-L60 WeakPolarHBondContact O-CG 3.44Å; K56-L60 PolarHBondContact O-N 2.86Å; K56-E206 IonicContact NZ-OE2 2.73Å; K56-E206 PolarHBondContact NZ-OE2 2.85Å; K56-S208 PolarHBondContact NZ-OG 3.35Å |
| 57 | I | 93.3 | Very high | 85.2 | Confident | 0 Ų | 0 | 65.8 Ų | 65.8 | 0% | 0 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -62.4 | -50.8 | 171.8 | -67.6 | 165.3 | 0 | 0 | 0 | 110.6 | L7 M10 V11 L22 L45 V53 Q54 M55 E59 L60 Y61 | L7-I57 HydrophobicContact CD2-CB 4.03Å; L7-I57 HydrophobicContact CD2-CD1 4.36Å; L7-I57 HydrophobicContact CD2-CG2 3.75Å; M10-I57 HydrophobicContact CB-CG2 3.69Å; M10-I57 HydrophobicContact SD-CG2 4.22Å; V11-I57 HydrophobicContact CG2-CB 4.48Å; V11-I57 HydrophobicContact CG2-CD1 3.66Å; V11-I57 HydrophobicContact CG2-CG1 3.85Å; V11-I57 HydrophobicContact CG2-CG2 3.77Å; L22-I57 HydrophobicContact CD1-CD1 4.42Å; L22-I57 HydrophobicContact CD1-CG1 3.62Å; L22-I57 HydrophobicContact CD2-CD1 4.36Å; L22-I57 HydrophobicContact CD2-CG1 3.8Å; L22-I57 HydrophobicContact CG-CG1 4.38Å; L45-I57 HydrophobicContact CD2-CD1 3.7Å; L45-I57 HydrophobicContact CG-CD1 4.43Å; V53-I57 WeakPolarHBondContact O-CG1 3.13Å; V53-I57 PolarHBondContact O-N 3.25Å; Q54-I57 PolarHBondContact O-N 2.67Å; M55-I57 VanDerWaalsContact C-N 3.34Å; M55-I57 PolarHBondContact O-N 2.84Å; I57-E59 VanDerWaalsContact C-N 3.28Å; I57-E59 PolarHBondContact O-N 3.41Å; I57-L60 PolarHBondContact O-N 2.97Å; I57-Y61 WeakPolarHBondContact O-CB 3.37Å; I57-Y61 PolarHBondContact O-N 2.9Å |
| 58 | K | 91.6 | Very high | 83.6 | Confident | 63 Ų | 63 | 71.9 Ų | 71.9 | 27% | 0.274 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -60.8 | -37.7 | 178.3 | -71.8 | -178.5 | 175 | -176.2 | 0 | 111.7 | L7 M10 Q54 M55 R62 | L7-K58 HydrophobicContact CD2-CG 4.23Å; M10-K58 HydrophobicContact CE-CG 4.26Å; M10-K58 HydrophobicContact SD-CG 3.84Å; Q54-K58 PolarHBondContact O-N 3.21Å; Q54-K58 VanDerWaalsContact O-N 3.07Å; M55-K58 PolarHBondContact O-N 3.33Å; K58-R62 WeakPolarHBondContact O-CB 3.44Å; K58-R62 PolarHBondContact O-N 2.86Å |
| 59 | E | 90.9 | Very high | 82.2 | Confident | 8 Ų | 8 | 76.1 Ų | 76.1 | 4% | 0.037 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -64.3 | -51.2 | 175.1 | -168.7 | -160.1 | 128 | 0 | 0 | 112.6 | M55 K56 I57 Y61 R62 R63 S208 | M55-E59 WeakPolarHBondContact O-CB 3.4Å; M55-E59 PolarHBondContact O-N 3.1Å; K56-E59 VanDerWaalsContact CD-OE2 3.3Å; K56-E59 WeakPolarHBondContact CD-OE2 3.4Å; K56-E59 IonicContact NZ-OE1 3.93Å; K56-E59 PolarHBondContact NZ-OE1 3.29Å; K56-E59 IonicContact NZ-OE2 3.17Å; K56-E59 PolarHBondContact NZ-OE2 3.2Å; K56-E59 PolarHBondContact O-N 3.11Å; I57-E59 VanDerWaalsContact C-N 3.28Å; I57-E59 PolarHBondContact O-N 3.41Å; E59-Y61 VanDerWaalsContact C-N 3.31Å; E59-Y61 PolarHBondContact O-N 3.39Å; E59-R62 PolarHBondContact O-N 3.28Å; E59-R63 WeakPolarHBondContact O-CG 3.3Å; E59-R63 PolarHBondContact O-N 3.15Å; E59-R63 IonicContact OE1-CZ 3.6Å; E59-R63 IonicContact OE1-NE 3.56Å; E59-R63 PolarHBondContact OE1-NE 2.91Å; E59-R63 IonicContact OE1-NH2 2.82Å; E59-R63 PolarHBondContact OE1-NH2 2.87Å; E59-S208 WeakPolarHBondContact OE2-CB 3.45Å; E59-S208 PolarHBondContact OE2-OG 2.7Å |
| 60 | L | 92.3 | Very high | 80.1 | Confident | 9 Ų | 9 | 82.5 Ų | 82.5 | 5% | 0.047 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -61.8 | -39.3 | 178.2 | -71.1 | 170.4 | 0 | 0 | 0 | 111.7 | L14 E18 V21 L22 K56 I57 R64 | L14-L60 HydrophobicContact CD1-CB 4.45Å; L14-L60 HydrophobicContact CD1-CD1 4.33Å; L14-L60 HydrophobicContact CD2-CB 4.03Å; E18-L60 WeakPolarHBondContact O-CD1 3.24Å; V21-L60 HydrophobicContact CG1-CD2 4.15Å; L22-L60 HydrophobicContact CB-CD1 3.85Å; L22-L60 HydrophobicContact CD1-CD1 4.49Å; K56-L60 HydrophobicContact CG-CD1 4.41Å; K56-L60 WeakPolarHBondContact O-CB 3.24Å; K56-L60 VanDerWaalsContact O-CG 3.27Å; K56-L60 WeakPolarHBondContact O-CG 3.44Å; K56-L60 PolarHBondContact O-N 2.86Å; I57-L60 PolarHBondContact O-N 2.97Å; L60-R64 PolarHBondContact O-N 2.67Å |
| 61 | Y | 93.5 | Very high | 77.7 | Confident | 75 Ų | 75 | 84.1 Ų | 84.1 | 29% | 0.294 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -63.6 | -46.8 | 175 | -170.8 | -98 | 0 | 0 | 0 | 112 | M10 S13 I57 E59 R63 R64 F65 | M10-Y61 HydrophobicContact CB-CD2 3.72Å; M10-Y61 HydrophobicContact CB-CE2 4.33Å; M10-Y61 HydrophobicContact CB-CG 4Å; M10-Y61 HydrophobicContact CE-CD1 4.06Å; M10-Y61 HydrophobicContact CE-CE1 4.46Å; M10-Y61 HydrophobicContact CE-CG 4.48Å; M10-Y61 HydrophobicContact CG-CD1 4.04Å; M10-Y61 HydrophobicContact CG-CD2 3.69Å; M10-Y61 HydrophobicContact CG-CE1 4.42Å; M10-Y61 HydrophobicContact CG-CE2 4.09Å; M10-Y61 HydrophobicContact CG-CG 3.65Å; M10-Y61 HydrophobicContact SD-CD1 4.29Å; M10-Y61 HydrophobicContact SD-CG 4.12Å; S13-Y61 WeakPolarHBondContact OG-CD2 3.28Å; S13-Y61 WeakPolarHBondContact OG-CE2 3.28Å; I57-Y61 WeakPolarHBondContact O-CB 3.37Å; I57-Y61 PolarHBondContact O-N 2.9Å; E59-Y61 VanDerWaalsContact C-N 3.31Å; E59-Y61 PolarHBondContact O-N 3.39Å; Y61-R63 PolarHBondContact O-N 2.91Å; Y61-R64 PolarHBondContact O-N 2.87Å; Y61-F65 HydrophobicContact CD1-CD2 4.41Å; Y61-F65 AromaticContact CD2-CD2 3.87Å; Y61-F65 HydrophobicContact CD2-CD2 3.87Å; Y61-F65 HydrophobicContact CD2-CE2 4.1Å; Y61-F65 HydrophobicContact CE1-CD2 4.07Å; Y61-F65 AromaticContact CE2-CD2 3.49Å; Y61-F65 HydrophobicContact CE2-CD2 3.49Å; Y61-F65 VanDerWaalsContact CE2-CD2 3.49Å; Y61-F65 AromaticContact CE2-CE2 3.58Å; Y61-F65 HydrophobicContact CE2-CE2 3.58Å; Y61-F65 HydrophobicContact CG-CD2 4.32Å; Y61-F65 AromaticContact CZ-CD2 3.6Å; Y61-F65 PolarHBondContact O-N 2.9Å |
| 62 | R | 90.5 | Very high | 75.3 | Confident | 138 Ų | 138 | 86.2 Ų | 86.2 | 52% | 0.521 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -63.3 | -37.4 | 178.1 | -165.3 | -167.1 | -53.2 | 111.5 | 0.3 | 112.8 | K58 E59 R64 F65 | K58-R62 WeakPolarHBondContact O-CB 3.44Å; K58-R62 PolarHBondContact O-N 2.86Å; E59-R62 PolarHBondContact O-N 3.28Å; R62-R64 PolarHBondContact O-N 2.83Å; R62-F65 CarbonylContact O-C 3.54Å; R62-F65 VanDerWaalsContact O-C 3.27Å |
| 63 | R | 86.6 | Confident | 73.1 | Confident | 114 Ų | 114 | 87.5 Ų | 87.5 | 43% | 0.43 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -60.8 | -34.1 | 172.5 | -73.5 | -179.2 | -171.5 | -149.6 | -1.7 | 112.4 | E59 Y61 E206 | E59-R63 WeakPolarHBondContact O-CG 3.3Å; E59-R63 PolarHBondContact O-N 3.15Å; E59-R63 IonicContact OE1-CZ 3.6Å; E59-R63 IonicContact OE1-NE 3.56Å; E59-R63 PolarHBondContact OE1-NE 2.91Å; E59-R63 IonicContact OE1-NH2 2.82Å; E59-R63 PolarHBondContact OE1-NH2 2.87Å; Y61-R63 PolarHBondContact O-N 2.91Å; R63-E206 IonicContact CZ-OE1 3.42Å; R63-E206 IonicContact NH1-OE1 2.73Å; R63-E206 PolarHBondContact NH1-OE1 3.34Å; R63-E206 IonicContact NH2-OE1 3.96Å; R63-E206 PolarHBondContact NH2-OE1 3.06Å; R63-E206 IonicContact NH2-OE2 3.54Å |
| 64 | R | 84 | Confident | 70.7 | Confident | 69 Ų | 69 | 93.2 Ų | 93.2 | 26% | 0.26 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -84.7 | -33.8 | -177.9 | -174.6 | 161.2 | -174.2 | -103.2 | 6.1 | 113.4 | S13 E18 L60 Y61 R62 | S13-R64 PolarHBondContact O-NH1 2.61Å; S13-R64 PolarHBondContact O-NH2 3.19Å; E18-R64 VanDerWaalsContact OE2-CD 3.23Å; E18-R64 WeakPolarHBondContact OE2-CD 3.18Å; E18-R64 IonicContact OE2-NE 2.68Å; L60-R64 PolarHBondContact O-N 2.67Å; Y61-R64 PolarHBondContact O-N 2.87Å; R62-R64 PolarHBondContact O-N 2.83Å |
| 65 | F | 85.5 | Confident | 68.1 | Low | 93 Ų | 93 | 98.2 Ų | 98.2 | 41% | 0.408 | 49% | 0.492 | S | S | . | . | S | Bend | trans | -127.8 | 78.1 | 177.5 | -56.3 | -72.5 | 0 | 0 | 0 | 110 | Y61 R62 Q67 | Y61-F65 HydrophobicContact CD1-CD2 4.41Å; Y61-F65 AromaticContact CD2-CD2 3.87Å; Y61-F65 HydrophobicContact CD2-CD2 3.87Å; Y61-F65 HydrophobicContact CD2-CE2 4.1Å; Y61-F65 HydrophobicContact CE1-CD2 4.07Å; Y61-F65 AromaticContact CE2-CD2 3.49Å; Y61-F65 HydrophobicContact CE2-CD2 3.49Å; Y61-F65 VanDerWaalsContact CE2-CD2 3.49Å; Y61-F65 AromaticContact CE2-CE2 3.58Å; Y61-F65 HydrophobicContact CE2-CE2 3.58Å; Y61-F65 HydrophobicContact CG-CD2 4.32Å; Y61-F65 AromaticContact CZ-CD2 3.6Å; Y61-F65 PolarHBondContact O-N 2.9Å; R62-F65 CarbonylContact O-C 3.54Å; R62-F65 VanDerWaalsContact O-C 3.27Å; F65-Q67 PolarHBondContact O-N 2.91Å; F65-Q67 VanDerWaalsContact O-N 3.13Å |
| 66 | P | 74.3 | Confident | 65.5 | Low | 98 Ų | 98 | 98.6 Ų | 98.6 | 64% | 0.636 | 50% | 0.504 | S | S | * | . | trans | -62.4 | 116.3 | 171.7 | -17.3 | 31.1 | 0 | 0 | 0 | 108.5 | K68 | P66-K68 PolarHBondContact O-N 3.37Š| ||
| 67 | Q | 60.4 | Low | 63.2 | Low | 180 Ų | 180 | 106.2 Ų | 106.2 | 84% | 0.841 | 54% | 0.544 | S | S | * | . | trans | -65.8 | 121.6 | 168.5 | -75.3 | -174.1 | -22.9 | 0 | 0 | 108 | F65 I69 | F65-Q67 PolarHBondContact O-N 2.91Å; F65-Q67 VanDerWaalsContact O-N 3.13Å; Q67-I69 PolarHBondContact O-N 2.97Å; Q67-I69 VanDerWaalsContact O-N 3.09Å | ||
| 68 | K | 40.8 | Very low | 60.3 | Low | 200 Ų | 200 | 111.9 Ų | 111.9 | 87% | 0.87 | 58% | 0.581 | S | S | * | * | trans | -61.1 | 112.3 | 163.2 | -83.3 | -172 | 172.8 | -173.2 | 0 | 107.1 | P66 M70 | P66-K68 PolarHBondContact O-N 3.37Å; K68-M70 PolarHBondContact O-N 2.78Å | ||
| 69 | I | 43.1 | Very low | 57.7 | Low | 157 Ų | 157 | 116.4 Ų | 116.4 | 81% | 0.805 | 61% | 0.608 | S | S | * | * | trans | -67.5 | 103.7 | 165 | -63 | 173.7 | 0 | 0 | 0 | 105.8 | Q67 T71 | Q67-I69 PolarHBondContact O-N 2.97Å; Q67-I69 VanDerWaalsContact O-N 3.09Å; I69-T71 PolarHBondContact O-N 2.84Å | ||
| 70 | M | 32.4 | Very low | 55.2 | Low | 150 Ų | 150 | 121.6 Ų | 121.6 | 74% | 0.739 | 64% | 0.64 | S | S | * | * | trans | -68.7 | 115.4 | 165.8 | -75.5 | 168.9 | 61 | 0 | 0 | 107.4 | K68 | K68-M70 PolarHBondContact O-N 2.78Š| ||
| 71 | T | 35 | Very low | 52.5 | Low | 91 Ų | 91 | 129.2 Ų | 129.2 | 56% | 0.558 | 68% | 0.675 | S | S | * | * | trans | -65.4 | 139.5 | 167.1 | 40.6 | 0 | 0 | 0 | 0 | 109.4 | I69 A73 | I69-T71 PolarHBondContact O-N 2.84Å; T71-A73 PolarHBondContact O-N 2.9Å | ||
| 72 | P | 35.1 | Very low | 49.8 | Very low | 142 Ų | 142 | 131 Ų | 131 | 92% | 0.922 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.3 | 58.8 | -177.9 | 32.3 | -36.4 | 0 | 0 | 0 | 112.4 | ||
| 73 | A | 42.2 | Very low | 47.4 | Very low | 72 Ų | 72 | 129.7 Ų | 129.7 | 60% | 0.595 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -123.7 | -22.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | T71 L75 | T71-A73 PolarHBondContact O-N 2.9Å; A73-L75 VanDerWaalsContact C-N 3.32Å; A73-L75 PolarHBondContact O-N 3.17Å |
| 74 | D | 40.5 | Very low | 45 | Very low | 131 Ų | 131 | 129.4 Ų | 129.4 | 70% | 0.701 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -90.4 | 22.2 | -174.8 | -64.2 | -38.9 | 0 | 0 | 0 | 114.3 | ||
| 75 | L | 36.3 | Very low | 43.1 | Very low | 163 Ų | 163 | 134.5 Ų | 134.5 | 85% | 0.853 | 75% | 0.752 | S | S | * | * | trans | -116.1 | 65.2 | 176.8 | -70 | 179.7 | 0 | 0 | 0 | 111.8 | A73 | A73-L75 VanDerWaalsContact C-N 3.32Å; A73-L75 PolarHBondContact O-N 3.17Å | ||
| 76 | S | 36.1 | Very low | 40.8 | Very low | 110 Ų | 110 | 135.2 Ų | 135.2 | 77% | 0.769 | 77% | 0.766 | S | S | * | * | trans | -142.4 | 125.8 | 158.5 | 52.3 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 77 | I | 42.2 | Very low | 39.2 | Very low | 167 Ų | 167 | 134.7 Ų | 134.7 | 86% | 0.856 | 77% | 0.77 | S | S | * | * | trans | -83.9 | 135.7 | -171.2 | -62.7 | 166.5 | 0 | 0 | 0 | 108.9 | ||||
| 78 | P | 33.4 | Very low | 38 | Very low | 120 Ų | 120 | 131.7 Ų | 131.7 | 78% | 0.779 | 76% | 0.764 | S | S | * | * | trans | -78.5 | 135 | -176.6 | 31.2 | -34.3 | 0 | 0 | 0 | 111.7 | ||||
| 79 | N | 36.9 | Very low | 37.9 | Very low | 157 Ų | 157 | 129.9 Ų | 129.9 | 84% | 0.84 | 76% | 0.763 | S | S | * | * | trans | -124.4 | 124.5 | 165.1 | -164.9 | 40.8 | 0 | 0 | 0 | 113 | ||||
| 80 | V | 39.1 | Very low | 37.7 | Very low | 117 Ų | 117 | 127.1 Ų | 127.1 | 71% | 0.709 | 76% | 0.758 | S | S | * | * | trans | -41.6 | 125.3 | -177 | -179.9 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 81 | H | 34.8 | Very low | 38.3 | Very low | 170 Ų | 170 | 125.8 Ų | 125.8 | 79% | 0.787 | 76% | 0.76 | S | S | * | * | trans | 24.5 | 150.2 | 139.1 | -64.3 | -79.5 | 0 | 0 | 0 | 124.7 | ||||
| 82 | S | 37.3 | Very low | 38.5 | Very low | 111 Ų | 111 | 126.4 Ų | 126.4 | 78% | 0.776 | 77% | 0.769 | S | S | * | * | trans | 93.1 | 132.5 | 155.3 | -36.1 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 83 | S | 38.8 | Very low | 38.7 | Very low | 111 Ų | 111 | 125.3 Ų | 125.3 | 78% | 0.776 | 76% | 0.759 | S | S | * | * | cis | -158.8 | 161.3 | -11 | -82.7 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 84 | P | 37.7 | Very low | 39.1 | Very low | 108 Ų | 108 | 129.4 Ų | 129.4 | 70% | 0.701 | 77% | 0.769 | S | S | * | * | trans | -100 | 150.8 | -168.9 | 37.1 | -33.7 | 0 | 0 | 0 | 115.1 | ||||
| 85 | M | 42.6 | Very low | 39.2 | Very low | 176 Ų | 176 | 128.2 Ų | 128.2 | 87% | 0.867 | 77% | 0.769 | S | S | * | * | trans | -162.7 | 156.4 | 140.1 | -95.1 | -48.9 | 98.7 | 0 | 0 | 111.2 | ||||
| 86 | P | 38.3 | Very low | 39.4 | Very low | 109 Ų | 109 | 129 Ų | 129 | 71% | 0.708 | 77% | 0.768 | S | S | * | * | trans | -113.7 | -167.4 | -164.3 | 44.3 | -36.9 | 0 | 0 | 0 | 114.9 | ||||
| 87 | A | 40.2 | Very low | 39.6 | Very low | 87 Ų | 87 | 131 Ų | 131 | 72% | 0.719 | 77% | 0.769 | S | S | * | * | trans | 82.8 | 144.5 | 171.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 88 | T | 35.4 | Very low | 39.4 | Very low | 117 Ų | 117 | 128.4 Ų | 128.4 | 72% | 0.718 | 76% | 0.762 | S | S | * | * | cis | -167.2 | 154.1 | -3.2 | 5.2 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 89 | L | 39.8 | Very low | 39.9 | Very low | 161 Ų | 161 | 132.9 Ų | 132.9 | 84% | 0.843 | 77% | 0.765 | S | S | * | * | trans | 61.7 | 150.5 | 153.8 | -61.3 | 161.9 | 0 | 0 | 0 | 117.1 | ||||
| 90 | S | 37.3 | Very low | 40.2 | Very low | 99 Ų | 99 | 131.3 Ų | 131.3 | 69% | 0.692 | 76% | 0.756 | S | S | * | * | cis | -179.3 | 171.4 | -12.9 | 56.8 | 0 | 0 | 0 | 0 | 105.4 | ||||
| 91 | P | 45.5 | Very low | 40.3 | Very low | 122 Ų | 122 | 128.3 Ų | 128.3 | 79% | 0.792 | 75% | 0.749 | S | S | * | * | trans | -107.8 | -176.6 | -148 | 40.6 | -35.6 | 0 | 0 | 0 | 115.2 | ||||
| 92 | S | 39.2 | Very low | 40.7 | Very low | 105 Ų | 105 | 128.8 Ų | 128.8 | 73% | 0.734 | 75% | 0.751 | S | S | * | * | 173.5 | 160.4 | 129.7 | 54 | 0 | 0 | 0 | 0 | 115.5 | |||||
| 93 | T | 40.4 | Very low | 41 | Very low | 119 Ų | 119 | 129.1 Ų | 129.1 | 73% | 0.73 | 75% | 0.75 | S | S | * | * | trans | 81.4 | 133 | 148.4 | -44.6 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 94 | I | 49 | Very low | 41.1 | Very low | 157 Ų | 157 | 128.4 Ų | 128.4 | 81% | 0.805 | 75% | 0.751 | S | S | * | * | cis | -170.7 | 169.5 | -27.5 | -117.3 | 160.1 | 0 | 0 | 0 | 109.3 | ||||
| 95 | P | 43.2 | Very low | 41.3 | Very low | 106 Ų | 106 | 128.5 Ų | 128.5 | 69% | 0.688 | 75% | 0.754 | S | S | * | * | trans | -124.6 | -168.2 | -150.8 | 46.6 | -38.2 | 0 | 0 | 0 | 118.3 | ||||
| 96 | Q | 41.1 | Very low | 40.9 | Very low | 181 Ų | 181 | 125.8 Ų | 125.8 | 85% | 0.846 | 75% | 0.753 | S | S | * | * | trans | -134.5 | 129 | 155.3 | -77.9 | 179.7 | -79 | 0 | 0 | 108.4 | ||||
| 97 | L | 40.3 | Very low | 41.3 | Very low | 150 Ų | 150 | 126.6 Ų | 126.6 | 79% | 0.785 | 76% | 0.758 | S | S | * | * | 71.9 | 127 | 61.4 | -71 | 172 | 0 | 0 | 0 | 112.7 | |||||
| 98 | T | 37.4 | Very low | 41.2 | Very low | 114 Ų | 114 | 130.6 Ų | 130.6 | 70% | 0.699 | 77% | 0.766 | S | S | * | * | cis | -162.9 | 156.7 | 15.6 | 24.1 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 99 | Y | 44 | Very low | 41.3 | Very low | 214 Ų | 214 | 133 Ų | 133 | 84% | 0.839 | 77% | 0.774 | S | S | * | * | trans | 58 | 144.5 | 151.2 | -100.5 | -126.3 | 0 | 0 | 0 | 119.6 | ||||
| 100 | D | 42.7 | Very low | 41.2 | Very low | 124 Ų | 124 | 130.9 Ų | 130.9 | 66% | 0.663 | 77% | 0.77 | S | S | * | * | cis | -169.9 | 173 | -16.3 | -157 | 34.3 | 0 | 0 | 0 | 107.4 | ||||
| 101 | G | 41.5 | Very low | 41.3 | Very low | 54 Ų | 54 | 132.1 Ų | 132.1 | 56% | 0.557 | 77% | 0.773 | S | S | * | * | cis | -177.3 | 151.7 | -0.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 102 | H | 43.9 | Very low | 40.6 | Very low | 179 Ų | 179 | 132.1 Ų | 132.1 | 83% | 0.829 | 78% | 0.776 | S | S | * | * | trans | 64.5 | 147.9 | 160.5 | -68.5 | -63.2 | 0 | 0 | 0 | 125.7 | ||||
| 103 | P | 43.5 | Very low | 40.8 | Very low | 118 Ų | 118 | 135 Ų | 135 | 77% | 0.766 | 78% | 0.782 | S | S | * | * | trans | -143.1 | 175 | -148 | 42.9 | -21.9 | 0 | 0 | 0 | 118.4 | ||||
| 104 | A | 41.1 | Very low | 40.5 | Very low | 96 Ų | 96 | 137.6 Ų | 137.6 | 79% | 0.793 | 79% | 0.791 | S | S | * | * | trans | -170.9 | 150.7 | 153 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 105 | S | 40.5 | Very low | 39.9 | Very low | 110 Ų | 110 | 133.6 Ų | 133.6 | 77% | 0.769 | 79% | 0.788 | S | S | * | * | cis | -165.4 | 143.4 | -21 | 47.2 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 106 | S | 34 | Very low | 39.5 | Very low | 119 Ų | 119 | 134.2 Ų | 134.2 | 83% | 0.832 | 79% | 0.792 | S | S | * | * | trans | -149.9 | 124.7 | 176.1 | -74.6 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 107 | P | 47.4 | Very low | 39.4 | Very low | 126 Ų | 126 | 135.2 Ų | 135.2 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | trans | -100.5 | 112.4 | 175.7 | 34.1 | -27.8 | 0 | 0 | 0 | 113.4 | ||||
| 108 | L | 38.6 | Very low | 39.2 | Very low | 171 Ų | 171 | 135.7 Ų | 135.7 | 90% | 0.895 | 79% | 0.791 | S | S | * | * | 33.4 | 133.6 | 129.4 | -57.5 | 173.7 | 0 | 0 | 0 | 121.9 | |||||
| 109 | L | 36.1 | Very low | 38.8 | Very low | 168 Ų | 168 | 137.7 Ų | 137.7 | 88% | 0.88 | 79% | 0.793 | S | S | * | * | trans | -64.3 | 167.3 | 160 | -62.3 | 165.2 | 0 | 0 | 0 | 112.6 | ||||
| 110 | P | 37.9 | Very low | 38.6 | Very low | 116 Ų | 116 | 135.7 Ų | 135.7 | 75% | 0.753 | 80% | 0.796 | S | S | * | * | trans | -140 | 134.7 | 132.9 | 29.6 | -12.3 | 0 | 0 | 0 | 116.8 | ||||
| 111 | V | 40.7 | Very low | 37.9 | Very low | 125 Ų | 125 | 139 Ų | 139 | 76% | 0.758 | 81% | 0.808 | S | S | * | * | trans | 64.2 | 114.4 | 134.9 | -175.6 | 0 | 0 | 0 | 0 | 120 | ||||
| 112 | S | 31.2 | Very low | 37.6 | Very low | 122 Ų | 122 | 144.2 Ų | 144.2 | 85% | 0.853 | 82% | 0.821 | S | S | * | * | trans | -75.5 | 141.6 | 159.1 | -52.6 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 113 | L | 41.8 | Very low | 37.2 | Very low | 165 Ų | 165 | 141 Ų | 141 | 86% | 0.864 | 82% | 0.817 | S | S | * | * | trans | -136.5 | 137.8 | 167 | -125 | 157.6 | 0 | 0 | 0 | 110.6 | ||||
| 114 | L | 35.4 | Very low | 36.7 | Very low | 175 Ų | 175 | 144 Ų | 144 | 92% | 0.916 | 82% | 0.82 | S | S | * | * | trans | -76.5 | 142 | -166.1 | -135.7 | 75.8 | 0 | 0 | 0 | 112.7 | ||||
| 115 | G | 36.6 | Very low | 36.3 | Very low | 72 Ų | 72 | 146.7 Ų | 146.7 | 74% | 0.742 | 82% | 0.82 | S | S | * | * | trans | -171 | 107.7 | 169.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 116 | P | 35.2 | Very low | 35.8 | Very low | 119 Ų | 119 | 147.3 Ų | 147.3 | 77% | 0.773 | 82% | 0.819 | S | S | * | * | trans | -92.1 | 130.2 | -179.1 | 33.4 | -30.8 | 0 | 0 | 0 | 111.9 | ||||
| 117 | K | 38.8 | Very low | 35.9 | Very low | 203 Ų | 203 | 146.7 Ų | 146.7 | 88% | 0.883 | 82% | 0.815 | S | S | * | * | trans | -172.5 | 124.8 | 150.1 | -106.1 | 152.9 | -171 | -178.4 | 0 | 114.2 | ||||
| 118 | H | 35.4 | Very low | 35.6 | Very low | 159 Ų | 159 | 143.6 Ų | 143.6 | 74% | 0.736 | 80% | 0.8 | S | S | * | * | trans | 62.1 | 92.6 | 141.3 | -122.5 | -75.2 | 0 | 0 | 0 | 120.7 | ||||
| 119 | E | 29.6 | Very low | 36.5 | Very low | 156 Ų | 156 | 143.2 Ų | 143.2 | 73% | 0.729 | 80% | 0.798 | S | S | * | * | 44.6 | 100.8 | 114.3 | -131.2 | -179.6 | 166.7 | 0 | 0 | 119.1 | |||||
| 120 | L | 38.1 | Very low | 37.8 | Very low | 173 Ų | 173 | 137.4 Ų | 137.4 | 91% | 0.906 | 77% | 0.766 | S | S | * | * | trans | -165.6 | 110.9 | 132.2 | -109.6 | 156.3 | 0 | 0 | 0 | 109.1 | L122 | L120-L122 PolarHBondContact O-N 2.83Š| ||
| 121 | E | 29.3 | Very low | 39.4 | Very low | 194 Ų | 194 | 135.1 Ų | 135.1 | 91% | 0.907 | 75% | 0.752 | S | S | * | * | trans | -67.7 | 122.4 | -177.9 | -66.5 | -177.2 | 116.4 | 0 | 0 | 111.5 | ||||
| 122 | L | 34.4 | Very low | 40.9 | Very low | 162 Ų | 162 | 132.6 Ų | 132.6 | 85% | 0.848 | 74% | 0.737 | S | S | * | * | trans | -109.8 | 116.8 | 164.4 | -160.7 | 77.6 | 0 | 0 | 0 | 107.5 | L120 H124 | L120-L122 PolarHBondContact O-N 2.83Å; L122-H124 PolarHBondContact O-N 2.9Å | ||
| 123 | P | 36.1 | Very low | 42.9 | Very low | 112 Ų | 112 | 130.4 Ų | 130.4 | 73% | 0.727 | 71% | 0.713 | S | S | * | * | trans | -64.5 | 124.3 | -175.9 | 25 | -32.8 | 0 | 0 | 0 | 109.8 | L125 | P123-L125 PolarHBondContact O-N 2.72Å; P123-L125 VanDerWaalsContact O-N 3.08Å | ||
| 124 | H | 33.1 | Very low | 44.3 | Very low | 180 Ų | 180 | 127.3 Ų | 127.3 | 83% | 0.833 | 70% | 0.702 | S | S | * | * | trans | -52.9 | 119 | 172.1 | -92.9 | -41.2 | 0 | 0 | 0 | 109.5 | L122 T126 | L122-H124 PolarHBondContact O-N 2.9Å; H124-T126 PolarHBondContact O-N 2.64Å | ||
| 125 | L | 32.6 | Very low | 46.6 | Very low | 154 Ų | 154 | 124.5 Ų | 124.5 | 81% | 0.806 | 69% | 0.688 | S | S | * | * | trans | -67.6 | 78.9 | 163.8 | -74.9 | 169.7 | 0 | 0 | 0 | 108.6 | P123 S127 | P123-L125 PolarHBondContact O-N 2.72Å; P123-L125 VanDerWaalsContact O-N 3.08Å; L125-S127 PolarHBondContact O-N 3.16Å | ||
| 126 | T | 30.1 | Very low | 49.2 | Very low | 122 Ų | 122 | 121.3 Ų | 121.3 | 75% | 0.748 | 65% | 0.654 | S | S | * | * | trans | -58.5 | 111.4 | 154.5 | 44.9 | 0 | 0 | 0 | 0 | 106 | H124 A128 | H124-T126 PolarHBondContact O-N 2.64Å; T126-A128 PolarHBondContact O-N 3.36Å | ||
| 127 | S | 35.3 | Very low | 51.9 | Low | 106 Ų | 106 | 122.4 Ų | 122.4 | 74% | 0.741 | 65% | 0.647 | S | S | * | * | trans | -68 | 83.5 | 173 | -167.6 | 0 | 0 | 0 | 0 | 107.3 | L125 L129 | L125-S127 PolarHBondContact O-N 3.16Å; S127-L129 PolarHBondContact O-N 3.14Å | ||
| 128 | A | 42.2 | Very low | 54.6 | Low | 61 Ų | 61 | 113.6 Ų | 113.6 | 50% | 0.504 | 61% | 0.609 | S | S | . | * | trans | -56 | 109.9 | 169.3 | 0 | 0 | 0 | 0 | 0 | 105.8 | T126 H130 | T126-A128 PolarHBondContact O-N 3.36Å; A128-H130 PolarHBondContact O-CE1 3.44Å; A128-H130 PolarHBondContact O-N 3.29Å; A128-H130 PolarHBondContact O-ND1 2.87Å | ||
| 129 | L | 56 | Low | 57.4 | Low | 163 Ų | 163 | 109.6 Ų | 109.6 | 85% | 0.853 | 59% | 0.591 | S | S | * | * | trans | -66.8 | 87 | -178.6 | -71.1 | 169.6 | 0 | 0 | 0 | 107.9 | S127 | S127-L129 PolarHBondContact O-N 3.14Š| ||
| 130 | H | 65.2 | Low | 60.6 | Low | 46 Ų | 46 | 110.6 Ų | 110.6 | 21% | 0.213 | 59% | 0.593 | C | S | . | * | trans | -52.1 | 130.6 | 175.4 | -63.7 | 104.8 | 0 | 0 | 0 | 108.2 | A128 V132 T154 T167 C168 F169 | A128-H130 PolarHBondContact O-CE1 3.44Å; A128-H130 PolarHBondContact O-N 3.29Å; A128-H130 PolarHBondContact O-ND1 2.87Å; H130-V132 PolarHBondContact O-N 2.8Å; H130-T154 HydrophobicContact CB-CG2 3.36Å; H130-T167 WeakPolarHBondContact NE2-CG2 3.37Å; H130-C168 PolarHBondContact CE1-O 2.91Å; H130-C168 VanDerWaalsContact CE1-O 3.31Å; H130-F169 HydrophobicContact CB-CE1 4.12Å; H130-F169 AromaticContact CG-CE1 3.87Å; H130-F169 AromaticContact ND1-CE1 3.77Å | ||
| 131 | P | 71.2 | Confident | 63.4 | Low | 68 Ų | 68 | 104.1 Ų | 104.1 | 44% | 0.442 | 56% | 0.559 | S | S | . | * | trans | -63.1 | 108.1 | -172.8 | 21.4 | -30.1 | 0 | 0 | 0 | 109.6 | S155 | P131-S155 PolarHBondContact O-N 2.94Š| ||
| 132 | V | 71 | Confident | 66.6 | Low | 73 Ų | 73 | 95.8 Ų | 95.8 | 44% | 0.442 | 52% | 0.522 | S | S | . | . | B | Isolated β-bridge | trans | -69.3 | 126.9 | 169.9 | -178.4 | 0 | 0 | 0 | 0 | 106.9 | H130 P134 K152 | H130-V132 PolarHBondContact O-N 2.8Å; V132-P134 VanDerWaalsContact O-CD 3.23Å; V132-P134 WeakPolarHBondContact O-CD 3.34Å; V132-K152 HydrophobicContact CG1-CB 3.9Å |
| 133 | H | 73.4 | Confident | 69.6 | Low | 76 Ų | 76 | 88.8 Ų | 88.8 | 35% | 0.352 | 48% | 0.484 | S | S | . | . | trans | -107.8 | 90.8 | 178.9 | -76.6 | -52.6 | 0 | 0 | 0 | 108.9 | D135 I136 P153 | H133-D135 PolarHBondContact O-N 3.25Å; H133-I136 HydrophobicContact CB-CB 4.48Å; H133-I136 HydrophobicContact CB-CD1 3.53Å; H133-I136 HydrophobicContact CB-CG1 3.8Å; H133-I136 PolarHBondContact O-N 2.92Å; H133-P153 PolarHBondContact N-O 2.82Å | ||
| 134 | P | 70.5 | Confident | 72.6 | Confident | 100 Ų | 100 | 86.2 Ų | 86.2 | 65% | 0.649 | 46% | 0.461 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | -17.8 | -173.7 | 26.7 | -36.3 | 0 | 0 | 0 | 113.9 | V132 | V132-P134 VanDerWaalsContact O-CD 3.23Å; V132-P134 WeakPolarHBondContact O-CD 3.34Å |
| 135 | D | 84 | Confident | 75.7 | Confident | 116 Ų | 116 | 80 Ų | 80 | 62% | 0.62 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.8 | -19.9 | 178 | -61 | -31 | 0 | 0 | 0 | 113.6 | H133 K137 T207 | H133-D135 PolarHBondContact O-N 3.25Å; D135-K137 PolarHBondContact O-N 3.44Å; D135-T207 HydrophobicContact CB-CG2 3.72Å |
| 136 | I | 90.9 | Very high | 78.8 | Confident | 5 Ų | 5 | 77.3 Ų | 77.3 | 3% | 0.026 | 42% | 0.419 | C | S | . | . | trans | -75.2 | 127.1 | 178.1 | -62.3 | 175.1 | 0 | 0 | 0 | 108.2 | H133 P153 T207 S279 | H133-I136 HydrophobicContact CB-CB 4.48Å; H133-I136 HydrophobicContact CB-CD1 3.53Å; H133-I136 HydrophobicContact CB-CG1 3.8Å; H133-I136 PolarHBondContact O-N 2.92Å; I136-P153 HydrophobicContact CB-CB 3.86Å; I136-P153 HydrophobicContact CG2-CB 3.88Å; I136-P153 WeakPolarHBondContact O-CG 3.19Å; I136-T207 HydrophobicContact CG1-CG2 3.77Å; I136-S279 WeakPolarHBondContact CD1-OG 3.31Å | ||
| 137 | K | 92.7 | Very high | 82 | Confident | 142 Ų | 142 | 75 Ų | 75 | 62% | 0.617 | 40% | 0.402 | S | S | * | . | trans | -126 | 133.4 | 175.7 | -63 | 179.7 | -177.3 | 178.3 | 0 | 108.2 | D135 P210 Q211 | D135-K137 PolarHBondContact O-N 3.44Å; K137-P210 CarbonylContact O-C 3.55Å; K137-P210 VanDerWaalsContact O-CA 3.26Å; K137-P210 WeakPolarHBondContact O-CA 3.47Å; K137-Q211 PolarHBondContact O-N 2.98Å | ||
| 138 | L | 95.1 | Very high | 85 | Confident | 17 Ų | 17 | 73.2 Ų | 73.2 | 9% | 0.089 | 38% | 0.384 | C | S | . | . | B | Isolated β-bridge | trans | -85 | 150.4 | 170.7 | -73.2 | 87.8 | 0 | 0 | 0 | 110 | P153 R201 C203 Q211 A281 Y283 | L138-P153 HydrophobicContact CD1-CB 4.48Å; L138-P153 HydrophobicContact CD1-CG 3.9Å; L138-R201 HydrophobicContact CD2-CB 3.47Å; L138-R201 VanDerWaalsContact CD2-CB 3.47Å; L138-R201 HydrophobicContact CD2-CG 4.33Å; L138-C203 HydrophobicContact CD2-CB 4.16Å; L138-C203 HydrophobicContact CG-CB 4.16Å; L138-Q211 CarbonylContact C-O 3.46Å; L138-Q211 WeakPolarHBondContact CA-O 3.48Å; L138-A281 HydrophobicContact CD1-CB 4.09Å; L138-Y283 HydrophobicContact CD1-CE2 4.45Å |
| 139 | Q | 94.8 | Very high | 87.5 | Confident | 75 Ų | 75 | 74 Ų | 74 | 35% | 0.35 | 38% | 0.377 | S | S | . | . | P | Polyproline II helix | trans | -63.1 | 136.8 | 173.7 | -170.3 | 178.9 | 10 | 0 | 0 | 109.7 | R201 P210 Q211 | Q139-R201 PolarHBondContact O-NH1 3.35Å; Q139-R201 PolarHBondContact O-NH2 2.81Å; Q139-P210 HydrophobicContact CB-CB 4.43Å; Q139-Q211 PolarHBondContact N-O 2.97Å |
| 140 | K | 95.7 | Very high | 89.5 | Confident | 177 Ų | 177 | 67.6 Ų | 67.6 | 77% | 0.77 | 34% | 0.344 | S | S | * | . | P | Polyproline II helix | trans | -62.7 | 141.7 | 174.6 | -63.9 | -171.9 | 177.7 | -172.1 | 0 | 109.9 | ||
| 141 | L | 97.2 | Very high | 91 | Very high | 38 Ų | 38 | 66.3 Ų | 66.3 | 20% | 0.199 | 34% | 0.338 | C | S | . | . | trans | -106.2 | 118.6 | 178.2 | -63.1 | 173.1 | 0 | 0 | 0 | 108 | F143 Y144 P249 | L141-F143 PolarHBondContact O-N 3.24Å; L141-F143 VanDerWaalsContact O-N 3.13Å; L141-Y144 HydrophobicContact CB-CD2 3.78Å; L141-Y144 HydrophobicContact CD1-CD2 4.02Å; L141-Y144 HydrophobicContact CD1-CE2 4.45Å; L141-Y144 PolarHBondContact O-N 3.33Å; L141-P249 HydrophobicContact CD1-CB 3.91Å; L141-P249 HydrophobicContact CD1-CG 3.7Å | ||
| 142 | P | 97.4 | Very high | 92.1 | Very high | 19 Ų | 19 | 68.8 Ų | 68.8 | 12% | 0.123 | 34% | 0.342 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | -34 | -171.2 | -30 | 36.9 | 0 | 0 | 0 | 114.7 | Y144 L293 W372 Y383 | P142-Y144 PolarHBondContact O-N 2.77Å; P142-L293 HydrophobicContact CB-CD1 4.38Å; P142-L293 HydrophobicContact CB-CD2 4.12Å; P142-L293 WeakPolarHBondContact O-CD2 3.14Å; P142-W372 HydrophobicContact CB-CH2 4.23Å; P142-W372 HydrophobicContact CB-CZ2 3.78Å; P142-W372 HydrophobicContact CG-CH2 4.35Å; P142-W372 HydrophobicContact CG-CZ2 3.68Å; P142-Y383 HydrophobicContact CB-CD1 3.92Å; P142-Y383 HydrophobicContact CB-CG 3.81Å; P142-Y383 VanDerWaalsContact CG-CB 3.46Å; P142-Y383 HydrophobicContact CG-CD1 4.3Å; P142-Y383 HydrophobicContact CG-CG 4.11Å |
| 143 | F | 97.8 | Very high | 93.3 | Very high | 15 Ų | 15 | 65.7 Ų | 65.7 | 7% | 0.066 | 32% | 0.323 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79 | 7.7 | 179.2 | -70.8 | -83.2 | 0 | 0 | 0 | 114.5 | L141 Q287 L288 L293 I363 N366 E367 W372 | L141-F143 PolarHBondContact O-N 3.24Å; L141-F143 VanDerWaalsContact O-N 3.13Å; F143-Q287 CarbonylContact O-C 3.59Å; F143-Q287 WeakPolarHBondContact O-CA 3.42Å; F143-L288 WeakPolarHBondContact CD1-O 3.33Å; F143-L288 PolarHBondContact O-N 2.79Å; F143-L293 HydrophobicContact CB-CD1 4.46Å; F143-L293 HydrophobicContact CD1-CD1 3.31Å; F143-L293 HydrophobicContact CD2-CD1 4.08Å; F143-L293 HydrophobicContact CE1-CD1 3.29Å; F143-L293 HydrophobicContact CE2-CD1 4.06Å; F143-L293 HydrophobicContact CG-CD1 3.7Å; F143-L293 HydrophobicContact CZ-CD1 3.65Å; F143-I363 HydrophobicContact CE1-CG2 4.24Å; F143-I363 HydrophobicContact CZ-CG2 3.93Å; F143-I363 WeakPolarHBondContact CZ-O 3.14Å; F143-N366 HydrophobicContact CE2-CB 4.06Å; F143-N366 HydrophobicContact CZ-CB 4.4Å; F143-E367 HydrophobicContact CD1-CB 4.31Å; F143-E367 HydrophobicContact CD1-CG 4.16Å; F143-E367 HydrophobicContact CE1-CB 3.45Å; F143-E367 VanDerWaalsContact CE1-CB 3.45Å; F143-E367 HydrophobicContact CE1-CG 3.68Å; F143-E367 HydrophobicContact CE2-CB 4.43Å; F143-E367 HydrophobicContact CZ-CB 3.55Å; F143-E367 HydrophobicContact CZ-CG 4.28Å; F143-W372 AromaticContact CD2-CZ2 3.99Å; F143-W372 HydrophobicContact CD2-CZ2 3.99Å; F143-W372 AromaticContact CE2-CH2 3.86Å; F143-W372 HydrophobicContact CE2-CH2 3.86Å; F143-W372 AromaticContact CE2-CZ2 3.47Å; F143-W372 HydrophobicContact CE2-CZ2 3.47Å; F143-W372 VanDerWaalsContact CE2-CZ2 3.47Å; F143-W372 HydrophobicContact CZ-CH2 4.42Å; F143-W372 HydrophobicContact CZ-CZ2 4.43Å |
| 144 | Y | 98.1 | Very high | 94.3 | Very high | 58 Ų | 58 | 62.4 Ų | 62.4 | 23% | 0.227 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 119.9 | -178.8 | -61.2 | -84.1 | 0 | 0 | 0 | 111.9 | L141 P142 Q199 V285 K286 Q287 | L141-Y144 HydrophobicContact CB-CD2 3.78Å; L141-Y144 HydrophobicContact CD1-CD2 4.02Å; L141-Y144 HydrophobicContact CD1-CE2 4.45Å; L141-Y144 PolarHBondContact O-N 3.33Å; P142-Y144 PolarHBondContact O-N 2.77Å; Y144-Q199 VanDerWaalsContact CD1-NE2 3.31Å; Y144-Q199 VanDerWaalsContact CE1-NE2 3.27Å; Y144-V285 HydrophobicContact CD1-CB 4.19Å; Y144-V285 HydrophobicContact CD1-CG2 3.66Å; Y144-V285 HydrophobicContact CE1-CG2 4.31Å; Y144-V285 HydrophobicContact CG-CG2 4.46Å; Y144-K286 WeakPolarHBondContact CA-O 3.41Å; Y144-Q287 HydrophobicContact CD1-CB 4.08Å; Y144-Q287 HydrophobicContact CD1-CG 4.4Å; Y144-Q287 HydrophobicContact CE1-CB 3.83Å; Y144-Q287 HydrophobicContact CE1-CG 3.88Å |
| 145 | D | 97.8 | Very high | 95.4 | Very high | 48 Ų | 48 | 58.3 Ų | 58.3 | 26% | 0.257 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 131.4 | 160.9 | -73.1 | -29.1 | 0 | 0 | 0 | 109.1 | V285 K286 R296 | D145-V285 CarbonylContact O-C 3.57Å; D145-V285 WeakPolarHBondContact O-CA 3.49Å; D145-V285 WeakPolarHBondContact O-CB 3.49Å; D145-K286 HydrophobicContact CB-CB 4.34Å; D145-K286 PolarHBondContact N-O 3.18Å; D145-K286 PolarHBondContact O-N 3.37Å; D145-R296 IonicContact OD1-CZ 3.16Å; D145-R296 IonicContact OD1-NH1 3.71Å; D145-R296 PolarHBondContact OD1-NH1 2.87Å; D145-R296 IonicContact OD1-NH2 2.77Å; D145-R296 PolarHBondContact OD1-NH2 2.88Å; D145-R296 IonicContact OD2-CZ 3.05Å; D145-R296 IonicContact OD2-NH1 2.64Å; D145-R296 IonicContact OD2-NH2 3.51Å; D145-R296 PolarHBondContact OD2-NH2 2.72Å |
| 146 | L | 97.6 | Very high | 95.7 | Very high | 99 Ų | 99 | 52.9 Ų | 52.9 | 52% | 0.518 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 119.5 | 170.5 | -172.3 | 158.8 | 0 | 0 | 0 | 108.3 | E149 Y283 | L146-E149 HydrophobicContact CD2-CG 4.31Å; L146-Y283 HydrophobicContact CD1-CD1 3.56Å; L146-Y283 HydrophobicContact CD1-CE1 3.7Å; L146-Y283 HydrophobicContact CD1-CG 4.3Å; L146-Y283 HydrophobicContact CG-CD1 4.05Å |
| 147 | L | 98 | Very high | 95 | Very high | 72 Ų | 72 | 54.4 Ų | 54.4 | 38% | 0.377 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | -41.3 | 176.6 | -56.2 | -176.1 | 0 | 0 | 0 | 111.6 | V196 L284 K286 | L147-V196 HydrophobicContact CD1-CG1 3.79Å; L147-V196 HydrophobicContact CD1-CG2 4.17Å; L147-L284 WeakPolarHBondContact CA-O 3.4Å; L147-L284 HydrophobicContact CB-CB 4.37Å; L147-L284 HydrophobicContact CB-CD2 4.22Å; L147-L284 HydrophobicContact CB-CG 4.15Å; L147-L284 WeakPolarHBondContact CB-O 3.37Å; L147-L284 HydrophobicContact CD1-CD2 4.41Å; L147-L284 HydrophobicContact CD1-CG 4.26Å; L147-L284 PolarHBondContact N-O 2.81Å; L147-K286 HydrophobicContact CD1-CB 4.21Å; L147-K286 HydrophobicContact CD2-CB 4.28Å; L147-K286 HydrophobicContact CG-CB 4.34Å |
| 148 | D | 97.7 | Very high | 93.5 | Very high | 70 Ų | 70 | 50.5 Ų | 50.5 | 37% | 0.374 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.1 | 159.7 | -179.5 | -151.8 | -13.6 | 0 | 0 | 0 | 113.1 | Q177 Y283 L284 | D148-Q177 PolarHBondContact OD2-NE2 3Å; D148-Y283 WeakPolarHBondContact O-CA 3.37Å; D148-L284 HydrophobicContact CB-CB 3.96Å; D148-L284 HydrophobicContact CB-CD2 4.43Å; D148-L284 PolarHBondContact N-O 2.94Å; D148-L284 VanDerWaalsContact N-O 3.17Å; D148-L284 PolarHBondContact O-N 3.47Å |
| 149 | E | 96.4 | Very high | 92 | Very high | 77 Ų | 77 | 54.1 Ų | 54.1 | 36% | 0.36 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 82.7 | 176 | -55.7 | -160.2 | 136.9 | 0 | 0 | 111.2 | L146 I151 K152 Y283 | L146-E149 HydrophobicContact CD2-CG 4.31Å; E149-I151 VanDerWaalsContact C-N 3.31Å; E149-I151 PolarHBondContact O-N 3.41Å; E149-K152 HydrophobicContact CB-CG 4.35Å; E149-Y283 HydrophobicContact CB-CD1 4.35Å; E149-Y283 HydrophobicContact CB-CE1 4.31Å; E149-Y283 HydrophobicContact CG-CD1 4.02Å; E149-Y283 HydrophobicContact CG-CE1 3.79Å |
| 150 | L | 97.4 | Very high | 90.5 | Very high | 29 Ų | 29 | 57.9 Ų | 57.9 | 15% | 0.152 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.9 | -36.1 | -179.1 | -56 | 179.9 | 0 | 0 | 0 | 113 | F171 L173 V198 V282 L284 | L150-F171 HydrophobicContact CB-CD2 4.14Å; L150-F171 HydrophobicContact CB-CG 4.47Å; L150-F171 HydrophobicContact CD1-CD2 3.98Å; L150-F171 HydrophobicContact CD1-CE2 3.85Å; L150-L173 HydrophobicContact CD1-CD2 3.81Å; L150-L173 HydrophobicContact CD2-CD2 4.14Å; L150-V198 HydrophobicContact CD1-CG1 4.01Å; L150-V198 HydrophobicContact CD1-CG2 4.21Å; L150-V282 HydrophobicContact CB-CB 4.36Å; L150-V282 HydrophobicContact CB-CG1 4.14Å; L150-V282 HydrophobicContact CD1-CG1 4.25Å; L150-V282 PolarHBondContact N-O 2.94Å; L150-L284 HydrophobicContact CD1-CB 4.29Å; L150-L284 HydrophobicContact CD2-CB 4.43Å; L150-L284 HydrophobicContact CG-CB 4.26Å |
| 151 | I | 96.6 | Very high | 89.1 | Confident | 18 Ų | 18 | 53.8 Ų | 53.8 | 9% | 0.092 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 115.9 | 167 | -56.4 | -175.1 | 0 | 0 | 0 | 108 | E149 F169 F171 A281 V282 | E149-I151 VanDerWaalsContact C-N 3.31Å; E149-I151 PolarHBondContact O-N 3.41Å; I151-F169 HydrophobicContact CD1-CB 3.97Å; I151-F171 HydrophobicContact CD1-CB 4.09Å; I151-F171 HydrophobicContact CD1-CD1 4.11Å; I151-F171 HydrophobicContact CD1-CG 4.5Å; I151-F171 HydrophobicContact CG1-CB 3.87Å; I151-F171 HydrophobicContact CG1-CG 4.47Å; I151-A281 WeakPolarHBondContact O-CA 3.26Å; I151-V282 HydrophobicContact CB-CB 3.88Å; I151-V282 HydrophobicContact CB-CG2 3.99Å; I151-V282 HydrophobicContact CD1-CB 4.37Å; I151-V282 HydrophobicContact CD1-CG2 3.84Å; I151-V282 HydrophobicContact CG1-CB 4.01Å; I151-V282 HydrophobicContact CG1-CG2 4.02Å; I151-V282 PolarHBondContact N-O 3.33Å; I151-V282 PolarHBondContact O-N 3.43Å |
| 152 | K | 95.1 | Very high | 88 | Confident | 121 Ų | 121 | 58.4 Ų | 58.4 | 53% | 0.526 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62 | 157.1 | 174.9 | -64.8 | -170 | 172.2 | 178.3 | 0 | 111.7 | V132 E149 T154 | V132-K152 HydrophobicContact CG1-CB 3.9Å; E149-K152 HydrophobicContact CB-CG 4.35Å; K152-T154 WeakPolarHBondContact O-CB 3.21Å; K152-T154 PolarHBondContact O-N 2.91Å; K152-T154 PolarHBondContact O-OG1 3.06Å |
| 153 | P | 95.1 | Very high | 87.4 | Confident | 7 Ų | 7 | 67.8 Ų | 67.8 | 5% | 0.045 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -48.5 | 106.6 | 174.5 | -31.7 | 39.1 | 0 | 0 | 0 | 113.1 | H133 I136 L138 M280 A281 | H133-P153 PolarHBondContact N-O 2.82Å; I136-P153 HydrophobicContact CB-CB 3.86Å; I136-P153 HydrophobicContact CG2-CB 3.88Å; I136-P153 WeakPolarHBondContact O-CG 3.19Å; L138-P153 HydrophobicContact CD1-CB 4.48Å; L138-P153 HydrophobicContact CD1-CG 3.9Å; P153-M280 WeakPolarHBondContact CA-O 3.44Å; P153-A281 HydrophobicContact CG-CB 4.13Å |
| 154 | T | 94.6 | Very high | 86.9 | Confident | 8 Ų | 8 | 72.1 Ų | 72.1 | 5% | 0.049 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 138.3 | -171.2 | -60.3 | 0 | 0 | 0 | 0 | 109.4 | H130 K152 F169 S279 M280 | H130-T154 HydrophobicContact CB-CG2 3.36Å; K152-T154 WeakPolarHBondContact O-CB 3.21Å; K152-T154 PolarHBondContact O-N 2.91Å; K152-T154 PolarHBondContact O-OG1 3.06Å; T154-F169 HydrophobicContact CG2-CE1 3.8Å; T154-S279 CarbonylContact O-C 3.27Å; T154-S279 WeakPolarHBondContact O-CA 3.45Å; T154-S279 WeakPolarHBondContact O-CB 3.42Å; T154-M280 PolarHBondContact N-O 3.46Å; T154-M280 PolarHBondContact O-N 2.9Å |
| 155 | S | 92.6 | Very high | 86.5 | Confident | 13 Ų | 13 | 70.5 Ų | 70.5 | 9% | 0.091 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.9 | 132.7 | -178.8 | -151.9 | 0 | 0 | 0 | 0 | 112 | P131 A157 | P131-S155 PolarHBondContact O-N 2.94Å; S155-A157 PolarHBondContact O-N 3.5Å |
| 156 | L | 91.5 | Very high | 86.3 | Confident | 2 Ų | 2 | 73.4 Ų | 73.4 | 1% | 0.01 | 37% | 0.371 | C | S | . | . | trans | -75.3 | 107.2 | 164.8 | -65.3 | -173 | 0 | 0 | 0 | 107.6 | S158 F169 F202 P216 V268 W270 Y278 M280 | L156-S158 PolarHBondContact O-N 3.43Å; L156-F169 HydrophobicContact CD2-CE2 3.65Å; L156-F169 HydrophobicContact CD2-CZ 3.68Å; L156-F202 HydrophobicContact CD1-CD1 4.09Å; L156-F202 HydrophobicContact CD1-CE1 4.1Å; L156-P216 HydrophobicContact CD1-CG 3.75Å; L156-V268 HydrophobicContact CD1-CG1 4.22Å; L156-V268 HydrophobicContact CD2-CG1 4.32Å; L156-W270 HydrophobicContact CB-CH2 3.7Å; L156-W270 HydrophobicContact CB-CZ2 3.61Å; L156-W270 HydrophobicContact CB-CZ3 4.25Å; L156-W270 HydrophobicContact CD1-CD2 4.29Å; L156-W270 HydrophobicContact CD1-CE3 4.33Å; L156-W270 HydrophobicContact CD2-CZ3 4.46Å; L156-Y278 WeakPolarHBondContact CB-O 3.32Å; L156-Y278 PolarHBondContact N-O 3.38Å; L156-M280 HydrophobicContact CD2-CB 3.85Å; L156-M280 HydrophobicContact CD2-SD 4.24Å; L156-M280 HydrophobicContact CG-CB 4.37Å | ||
| 157 | A | 75.1 | Confident | 86.1 | Confident | 38 Ų | 38 | 69.3 Ų | 69.3 | 31% | 0.314 | 35% | 0.35 | S | S | . | . | trans | -62.2 | 119.6 | -164.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | S155 | S155-A157 PolarHBondContact O-N 3.5Š| ||
| 158 | S | 63 | Low | 85.9 | Confident | 60 Ų | 60 | 68.5 Ų | 68.5 | 42% | 0.42 | 35% | 0.35 | S | S | . | . | trans | -97.8 | 80.2 | 168.6 | -173.7 | 0 | 0 | 0 | 0 | 110.1 | L156 | L156-S158 PolarHBondContact O-N 3.43Š| ||
| 159 | D | 63.4 | Low | 85.9 | Confident | 93 Ų | 93 | 65.8 Ų | 65.8 | 50% | 0.497 | 34% | 0.335 | S | S | . | . | trans | -57.6 | 166.2 | 146.2 | 165.4 | 54.5 | 0 | 0 | 0 | 108.9 | S161 R165 | D159-S161 WeakPolarHBondContact OD2-CB 3.47Å; D159-S161 PolarHBondContact OD2-N 3.46Å; D159-S161 PolarHBondContact OD2-OG 2.87Å; D159-R165 PolarHBondContact O-NH1 2.93Å; D159-R165 PolarHBondContact O-NH2 2.83Å; D159-R165 IonicContact OD2-CZ 3.84Å; D159-R165 IonicContact OD2-NH1 2.88Å; D159-R165 PolarHBondContact OD2-NH1 3.01Å; D159-R165 IonicContact OD2-NH2 3.91Å | ||
| 160 | N | 61.6 | Low | 85.9 | Confident | 154 Ų | 154 | 65.2 Ų | 65.2 | 82% | 0.824 | 34% | 0.343 | S | S | * | . | S | Bend | trans | -109.4 | 0.4 | -167.6 | -119.3 | -1.8 | 0 | 0 | 0 | 115.3 | R165 | N160-R165 VanDerWaalsContact C-NH2 3.27Š|
| 161 | S | 66.8 | Low | 85.9 | Confident | 91 Ų | 91 | 64.3 Ų | 64.3 | 64% | 0.636 | 34% | 0.338 | S | S | * | . | S | Bend | trans | -80.2 | -36 | -172.2 | 61.7 | 0 | 0 | 0 | 0 | 117.9 | D159 | D159-S161 WeakPolarHBondContact OD2-CB 3.47Å; D159-S161 PolarHBondContact OD2-N 3.46Å; D159-S161 PolarHBondContact OD2-OG 2.87Å |
| 162 | Q | 74.8 | Confident | 86 | Confident | 134 Ų | 134 | 66.6 Ų | 66.6 | 63% | 0.626 | 36% | 0.36 | S | S | * | . | trans | -123.5 | 150.8 | -172 | -62.5 | -174.8 | -3 | 0 | 0 | 113.6 | F164 R165 | Q162-F164 WeakPolarHBondContact CB-O 3.36Å; Q162-R165 PolarHBondContact O-NE 3.17Å; Q162-R165 PolarHBondContact O-NH2 3.08Å | ||
| 163 | R | 83.8 | Confident | 86.1 | Confident | 216 Ų | 216 | 61.1 Ų | 61.1 | 82% | 0.815 | 34% | 0.336 | S | S | * | . | S | Bend | trans | -76.6 | -46.1 | 174.4 | -76.1 | -167.1 | -179 | -164.7 | 3 | 112.6 | T271 A272 | R163-T271 WeakPolarHBondContact O-CA 3.42Å; R163-A272 PolarHBondContact O-N 3.34Å |
| 164 | F | 87.6 | Confident | 86.3 | Confident | 106 Ų | 106 | 63.7 Ų | 63.7 | 47% | 0.465 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 141.6 | 172.2 | -167.2 | -102.1 | 0 | 0 | 0 | 108.9 | Q162 W270 | Q162-F164 WeakPolarHBondContact CB-O 3.36Å; F164-W270 CarbonylContact C-O 3.58Å; F164-W270 WeakPolarHBondContact CA-O 3.48Å |
| 165 | R | 90.4 | Very high | 86.4 | Confident | 24 Ų | 24 | 67.8 Ų | 67.8 | 9% | 0.091 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 148.2 | 179.9 | -64.5 | -63.8 | 165.3 | 166.4 | 6.3 | 109.5 | D159 N160 Q162 S269 W270 A272 | D159-R165 PolarHBondContact O-NH1 2.93Å; D159-R165 PolarHBondContact O-NH2 2.83Å; D159-R165 IonicContact OD2-CZ 3.84Å; D159-R165 IonicContact OD2-NH1 2.88Å; D159-R165 PolarHBondContact OD2-NH1 3.01Å; D159-R165 IonicContact OD2-NH2 3.91Å; N160-R165 VanDerWaalsContact C-NH2 3.27Å; Q162-R165 PolarHBondContact O-NE 3.17Å; Q162-R165 PolarHBondContact O-NH2 3.08Å; R165-S269 CarbonylContact O-C 3.55Å; R165-S269 WeakPolarHBondContact O-CA 3.39Å; R165-S269 WeakPolarHBondContact O-CB 3.47Å; R165-W270 HydrophobicContact CB-CD2 3.79Å; R165-W270 HydrophobicContact CB-CE3 3.9Å; R165-W270 HydrophobicContact CB-CH2 3.6Å; R165-W270 HydrophobicContact CB-CZ2 3.48Å; R165-W270 VanDerWaalsContact CB-CZ2 3.48Å; R165-W270 HydrophobicContact CB-CZ3 3.81Å; R165-W270 HydrophobicContact CG-CH2 4.44Å; R165-W270 HydrophobicContact CG-CZ2 3.95Å; R165-W270 PolarHBondContact N-O 3.29Å; R165-W270 PolarHBondContact O-N 2.76Å; R165-A272 HydrophobicContact CG-CB 4.12Å |
| 166 | E | 92.7 | Very high | 86.7 | Confident | 110 Ų | 110 | 73.4 Ų | 73.4 | 51% | 0.514 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 144.8 | 170.7 | -173.3 | 157.2 | 105.2 | 0 | 0 | 108.8 | V267 V268 S269 | E166-V267 HydrophobicContact CG-CG1 3.43Å; E166-V267 VanDerWaalsContact CG-CG1 3.43Å; E166-V268 CarbonylContact C-O 3.57Å; E166-V268 VanDerWaalsContact CA-O 3.3Å; E166-V268 WeakPolarHBondContact CA-O 3.36Å; E166-S269 WeakPolarHBondContact OE2-CB 3.32Å; E166-S269 PolarHBondContact OE2-OG 3.24Å |
| 167 | T | 93.4 | Very high | 87 | Confident | 13 Ų | 13 | 73.9 Ų | 73.9 | 8% | 0.08 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 137.9 | 178.7 | -60.1 | 0 | 0 | 0 | 0 | 109.6 | H130 F169 V268 W270 | H130-T167 WeakPolarHBondContact NE2-CG2 3.37Å; T167-F169 HydrophobicContact CG2-CD2 4.2Å; T167-F169 HydrophobicContact CG2-CE1 4.29Å; T167-F169 HydrophobicContact CG2-CE2 3.43Å; T167-F169 VanDerWaalsContact CG2-CE2 3.43Å; T167-F169 HydrophobicContact CG2-CZ 3.47Å; T167-F169 VanDerWaalsContact CG2-CZ 3.47Å; T167-V268 PolarHBondContact N-O 2.93Å; T167-V268 PolarHBondContact O-N 2.91Å; T167-W270 VanDerWaalsContact OG1-CH2 3.27Å; T167-W270 WeakPolarHBondContact OG1-CH2 3.31Å; T167-W270 WeakPolarHBondContact OG1-CZ3 3.28Å |
| 168 | C | 94.9 | Very high | 88 | Confident | 55 Ų | 55 | 73.1 Ų | 73.1 | 37% | 0.372 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 133 | 179.6 | -170 | 0 | 0 | 0 | 0 | 110.6 | H130 I266 V267 | H130-C168 PolarHBondContact CE1-O 2.91Å; H130-C168 VanDerWaalsContact CE1-O 3.31Å; C168-I266 WeakPolarHBondContact CA-O 3.41Å; C168-V267 HydrophobicContact CB-CG2 4.44Å |
| 169 | F | 96.8 | Very high | 89.7 | Confident | 12 Ų | 12 | 76.9 Ų | 76.9 | 5% | 0.053 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 153.1 | 175.7 | -61.6 | -88.2 | 0 | 0 | 0 | 109.4 | H130 I151 T154 L156 T167 T265 I266 V268 M280 | H130-F169 HydrophobicContact CB-CE1 4.12Å; H130-F169 AromaticContact CG-CE1 3.87Å; H130-F169 AromaticContact ND1-CE1 3.77Å; I151-F169 HydrophobicContact CD1-CB 3.97Å; T154-F169 HydrophobicContact CG2-CE1 3.8Å; L156-F169 HydrophobicContact CD2-CE2 3.65Å; L156-F169 HydrophobicContact CD2-CZ 3.68Å; T167-F169 HydrophobicContact CG2-CD2 4.2Å; T167-F169 HydrophobicContact CG2-CE1 4.29Å; T167-F169 HydrophobicContact CG2-CE2 3.43Å; T167-F169 VanDerWaalsContact CG2-CE2 3.43Å; T167-F169 HydrophobicContact CG2-CZ 3.47Å; T167-F169 VanDerWaalsContact CG2-CZ 3.47Å; F169-T265 CarbonylContact O-C 3.57Å; F169-T265 WeakPolarHBondContact O-CA 3.26Å; F169-I266 PolarHBondContact N-O 3.22Å; F169-I266 PolarHBondContact O-N 3.44Å; F169-V268 HydrophobicContact CD2-CG2 4.32Å; F169-V268 HydrophobicContact CE2-CG2 4.39Å; F169-M280 HydrophobicContact CD1-SD 4.36Å; F169-M280 HydrophobicContact CD2-CE 3.99Å; F169-M280 HydrophobicContact CD2-SD 3.32Å; F169-M280 WeakPolarHBondContact CD2-SD 3.39Å; F169-M280 HydrophobicContact CE1-SD 4.44Å; F169-M280 HydrophobicContact CE2-SD 3.41Å; F169-M280 WeakPolarHBondContact CE2-SD 3.3Å; F169-M280 HydrophobicContact CG-CE 4.37Å; F169-M280 HydrophobicContact CG-SD 3.84Å; F169-M280 HydrophobicContact CZ-SD 4.01Å |
| 170 | A | 97 | Very high | 91.3 | Very high | 65 Ų | 65 | 75.7 Ų | 75.7 | 54% | 0.537 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 147.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | N264 T265 | A170-N264 CarbonylContact C-O 3.57Å; A170-N264 VanDerWaalsContact CA-O 3.24Å; A170-N264 WeakPolarHBondContact CA-O 3.14Å; A170-T265 HydrophobicContact CB-CG2 4.49Å |
| 171 | F | 97.9 | Very high | 92.9 | Very high | 11 Ų | 11 | 68.3 Ų | 68.3 | 5% | 0.048 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 155.7 | 171.3 | 69 | -81.9 | 0 | 0 | 0 | 110.3 | L150 I151 L173 V198 V256 N264 I266 V282 | L150-F171 HydrophobicContact CB-CD2 4.14Å; L150-F171 HydrophobicContact CB-CG 4.47Å; L150-F171 HydrophobicContact CD1-CD2 3.98Å; L150-F171 HydrophobicContact CD1-CE2 3.85Å; I151-F171 HydrophobicContact CD1-CB 4.09Å; I151-F171 HydrophobicContact CD1-CD1 4.11Å; I151-F171 HydrophobicContact CD1-CG 4.5Å; I151-F171 HydrophobicContact CG1-CB 3.87Å; I151-F171 HydrophobicContact CG1-CG 4.47Å; F171-L173 HydrophobicContact CD2-CD2 4.32Å; F171-L173 HydrophobicContact CE2-CD2 3.98Å; F171-L173 HydrophobicContact CE2-CG 4.26Å; F171-V198 HydrophobicContact CE2-CG1 4.36Å; F171-V198 HydrophobicContact CZ-CG1 4.02Å; F171-V256 HydrophobicContact CZ-CG1 4.43Å; F171-V256 HydrophobicContact CZ-CG2 3.98Å; F171-N264 HydrophobicContact CD1-CB 3.9Å; F171-N264 HydrophobicContact CD2-CB 4.25Å; F171-N264 HydrophobicContact CE1-CB 3.45Å; F171-N264 VanDerWaalsContact CE1-CB 3.45Å; F171-N264 HydrophobicContact CE2-CB 3.85Å; F171-N264 HydrophobicContact CG-CB 4.28Å; F171-N264 HydrophobicContact CZ-CB 3.44Å; F171-N264 VanDerWaalsContact CZ-CB 3.44Å; F171-N264 PolarHBondContact N-O 3.2Å; F171-N264 PolarHBondContact O-N 2.88Å; F171-I266 HydrophobicContact CD1-CD1 4.33Å; F171-I266 HydrophobicContact CE1-CD1 3.89Å; F171-I266 HydrophobicContact CE1-CG1 4.08Å; F171-V282 HydrophobicContact CE1-CG1 4.44Å |
| 172 | A | 97.8 | Very high | 94.3 | Very high | 65 Ų | 65 | 66.8 Ų | 66.8 | 54% | 0.537 | 35% | 0.349 | S | S | . | . | trans | -113.7 | 156.3 | 172.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 173 | L | 98 | Very high | 95.2 | Very high | 7 Ų | 7 | 64.9 Ų | 64.9 | 4% | 0.037 | 35% | 0.351 | C | S | . | . | trans | -103.9 | 141.8 | 172.1 | -65.3 | 175.6 | 0 | 0 | 0 | 109.9 | L150 F171 Q177 V178 I181 V256 L258 | L150-L173 HydrophobicContact CD1-CD2 3.81Å; L150-L173 HydrophobicContact CD2-CD2 4.14Å; F171-L173 HydrophobicContact CD2-CD2 4.32Å; F171-L173 HydrophobicContact CE2-CD2 3.98Å; F171-L173 HydrophobicContact CE2-CG 4.26Å; L173-Q177 VanDerWaalsContact CA-OE1 3.3Å; L173-Q177 HydrophobicContact CD2-CB 4.36Å; L173-V178 HydrophobicContact CB-CG2 3.68Å; L173-V178 HydrophobicContact CD1-CG2 4.03Å; L173-I181 HydrophobicContact CD1-CD1 4.09Å; L173-V256 HydrophobicContact CD1-CG1 3.82Å; L173-L258 HydrophobicContact CD1-CD2 4.08Å | ||
| 174 | T | 97.9 | Very high | 95.7 | Very high | 61 Ų | 61 | 55.2 Ų | 55.2 | 37% | 0.374 | 32% | 0.316 | S | S | . | . | trans | -78.5 | 159.7 | 171.1 | 78.1 | 0 | 0 | 0 | 0 | 110.8 | Q176 Q177 V178 | T174-Q176 PolarHBondContact O-N 2.99Å; T174-Q177 PolarHBondContact O-N 2.67Å; T174-Q177 VanDerWaalsContact O-N 3.11Å; T174-Q177 VanDerWaalsContact OG1-CG 3.28Å; T174-Q177 WeakPolarHBondContact OG1-CG 3.47Å; T174-Q177 PolarHBondContact OG1-N 3.5Å; T174-V178 PolarHBondContact O-N 2.83Å | ||
| 175 | P | 97.9 | Very high | 95.8 | Very high | 94 Ų | 94 | 54.6 Ų | 54.6 | 61% | 0.61 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -54.3 | -39.9 | 175.9 | -23.5 | 31.2 | 0 | 0 | 0 | 113 | V178 Q179 T260 | P175-V178 PolarHBondContact O-N 3.13Å; P175-Q179 WeakPolarHBondContact O-CB 3.28Å; P175-Q179 PolarHBondContact O-N 3.24Å; P175-T260 HydrophobicContact CB-CG2 4.17Å; P175-T260 HydrophobicContact CG-CG2 3.9Å |
| 176 | Q | 98 | Very high | 95.3 | Very high | 130 Ų | 130 | 56.8 Ų | 56.8 | 61% | 0.607 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -64.4 | -43.5 | 177.4 | -175.3 | 178.9 | 2.5 | 0 | 0 | 111.9 | T174 Q179 Q180 | T174-Q176 PolarHBondContact O-N 2.99Å; Q176-Q179 PolarHBondContact O-N 3.13Å; Q176-Q180 WeakPolarHBondContact O-CB 3.48Å; Q176-Q180 VanDerWaalsContact O-CG 3.3Å; Q176-Q180 WeakPolarHBondContact O-CG 3.5Å; Q176-Q180 PolarHBondContact O-N 3.11Å |
| 177 | Q | 98 | Very high | 94.3 | Very high | 12 Ų | 12 | 57.6 Ų | 57.6 | 6% | 0.056 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -65.8 | -40.7 | 178 | -64.7 | 167.9 | -14.1 | 0 | 0 | 111.5 | D148 L173 T174 Q179 Q180 I181 L284 | D148-Q177 PolarHBondContact OD2-NE2 3Å; L173-Q177 VanDerWaalsContact CA-OE1 3.3Å; L173-Q177 HydrophobicContact CD2-CB 4.36Å; T174-Q177 PolarHBondContact O-N 2.67Å; T174-Q177 VanDerWaalsContact O-N 3.11Å; T174-Q177 VanDerWaalsContact OG1-CG 3.28Å; T174-Q177 WeakPolarHBondContact OG1-CG 3.47Å; T174-Q177 PolarHBondContact OG1-N 3.5Å; Q177-Q179 VanDerWaalsContact C-N 3.33Å; Q177-Q179 PolarHBondContact O-N 2.83Å; Q177-Q180 PolarHBondContact O-N 3.28Å; Q177-I181 WeakPolarHBondContact O-CG1 2.94Å; Q177-I181 PolarHBondContact O-N 2.93Å; Q177-L284 HydrophobicContact CB-CD2 4.02Å; Q177-L284 HydrophobicContact CG-CD2 3.72Å |
| 178 | V | 97.4 | Very high | 93.2 | Very high | 23 Ų | 23 | 62.1 Ų | 62.1 | 14% | 0.139 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -60.9 | -42.4 | 174 | 171.7 | 0 | 0 | 0 | 0 | 111.2 | L173 T174 P175 S182 L258 T260 | L173-V178 HydrophobicContact CB-CG2 3.68Å; L173-V178 HydrophobicContact CD1-CG2 4.03Å; T174-V178 PolarHBondContact O-N 2.83Å; P175-V178 PolarHBondContact O-N 3.13Å; V178-S182 VanDerWaalsContact O-CB 3.3Å; V178-S182 WeakPolarHBondContact O-CB 3.41Å; V178-S182 PolarHBondContact O-N 3.04Å; V178-S182 PolarHBondContact O-OG 2.7Å; V178-L258 HydrophobicContact CG1-CB 4.3Å; V178-T260 HydrophobicContact CG2-CG2 3.99Å |
| 179 | Q | 97 | Very high | 91.6 | Very high | 138 Ų | 138 | 61.9 Ų | 61.9 | 65% | 0.645 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -66.8 | -40.5 | 175.9 | -172.3 | -179 | 10.2 | 0 | 0 | 112.1 | P175 Q176 Q177 S183 | P175-Q179 WeakPolarHBondContact O-CB 3.28Å; P175-Q179 PolarHBondContact O-N 3.24Å; Q176-Q179 PolarHBondContact O-N 3.13Å; Q177-Q179 VanDerWaalsContact C-N 3.33Å; Q177-Q179 PolarHBondContact O-N 2.83Å; Q179-S183 VanDerWaalsContact O-CB 3.28Å; Q179-S183 WeakPolarHBondContact O-CB 3.31Å; Q179-S183 PolarHBondContact O-N 3.09Å; Q179-S183 PolarHBondContact O-OG 3.04Å |
| 180 | Q | 96.9 | Very high | 89.9 | Confident | 68 Ų | 68 | 68.7 Ų | 68.7 | 32% | 0.318 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -63.6 | -44.1 | 176.8 | -77.8 | 174.9 | -46.2 | 0 | 0 | 112 | Q176 Q177 S184 V196 | Q176-Q180 WeakPolarHBondContact O-CB 3.48Å; Q176-Q180 VanDerWaalsContact O-CG 3.3Å; Q176-Q180 WeakPolarHBondContact O-CG 3.5Å; Q176-Q180 PolarHBondContact O-N 3.11Å; Q177-Q180 PolarHBondContact O-N 3.28Å; Q180-S184 VanDerWaalsContact O-CB 3.24Å; Q180-S184 WeakPolarHBondContact O-CB 3.44Å; Q180-S184 PolarHBondContact O-N 3.25Å; Q180-S184 PolarHBondContact O-OG 3.3Å; Q180-V196 HydrophobicContact CB-CG1 4.41Å |
| 181 | I | 96.9 | Very high | 88.5 | Confident | 0 Ų | 0 | 72.9 Ų | 72.9 | 0% | 0 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -64.5 | -54.5 | 175.8 | -63 | 161.8 | 0 | 0 | 0 | 109.5 | L173 Q177 S183 S184 F194 V196 V198 T253 L258 L284 | L173-I181 HydrophobicContact CD1-CD1 4.09Å; Q177-I181 WeakPolarHBondContact O-CG1 2.94Å; Q177-I181 PolarHBondContact O-N 2.93Å; I181-S183 VanDerWaalsContact C-N 3.31Å; I181-S183 PolarHBondContact O-N 2.68Å; I181-S184 WeakPolarHBondContact O-CB 3.28Å; I181-S184 PolarHBondContact O-N 2.91Å; I181-S184 PolarHBondContact O-OG 2.85Å; I181-F194 HydrophobicContact CG2-CD1 4.22Å; I181-F194 HydrophobicContact CG2-CG 4.3Å; I181-F194 VanDerWaalsContact O-CD1 3.24Å; I181-F194 WeakPolarHBondContact O-CD1 3.34Å; I181-V196 HydrophobicContact CG1-CG1 3.99Å; I181-V198 HydrophobicContact CD1-CG2 3.9Å; I181-T253 HydrophobicContact CG2-CG2 3.75Å; I181-L258 HydrophobicContact CB-CD2 4.13Å; I181-L258 HydrophobicContact CD1-CD2 3.74Å; I181-L258 HydrophobicContact CG2-CD1 3.9Å; I181-L258 HydrophobicContact CG2-CD2 3.74Å; I181-L284 HydrophobicContact CD1-CD1 3.83Å; I181-L284 HydrophobicContact CG1-CD1 3.82Å |
| 182 | S | 94.5 | Very high | 87 | Confident | 58 Ų | 58 | 76 Ų | 76 | 41% | 0.406 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -60.6 | -36 | -174.2 | -54.1 | 0 | 0 | 0 | 0 | 113.6 | V178 S184 | V178-S182 VanDerWaalsContact O-CB 3.3Å; V178-S182 WeakPolarHBondContact O-CB 3.41Å; V178-S182 PolarHBondContact O-N 3.04Å; V178-S182 PolarHBondContact O-OG 2.7Å; S182-S184 VanDerWaalsContact C-N 3.33Å |
| 183 | S | 94.4 | Very high | 86.4 | Confident | 94 Ų | 94 | 77.1 Ų | 77.1 | 66% | 0.657 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -81.6 | -8.3 | 178 | 61.3 | 0 | 0 | 0 | 0 | 114.3 | Q179 I181 | Q179-S183 VanDerWaalsContact O-CB 3.28Å; Q179-S183 WeakPolarHBondContact O-CB 3.31Å; Q179-S183 PolarHBondContact O-N 3.09Å; Q179-S183 PolarHBondContact O-OG 3.04Å; I181-S183 VanDerWaalsContact C-N 3.31Å; I181-S183 PolarHBondContact O-N 2.68Å |
| 184 | S | 94.7 | Very high | 86.2 | Confident | 14 Ų | 14 | 79.2 Ų | 79.2 | 10% | 0.098 | 45% | 0.452 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.2 | 5.6 | -177 | 77.4 | 0 | 0 | 0 | 0 | 115.1 | Q180 I181 S182 D186 T195 V196 | Q180-S184 VanDerWaalsContact O-CB 3.24Å; Q180-S184 WeakPolarHBondContact O-CB 3.44Å; Q180-S184 PolarHBondContact O-N 3.25Å; Q180-S184 PolarHBondContact O-OG 3.3Å; I181-S184 WeakPolarHBondContact O-CB 3.28Å; I181-S184 PolarHBondContact O-N 2.91Å; I181-S184 PolarHBondContact O-OG 2.85Å; S182-S184 VanDerWaalsContact C-N 3.33Å; S184-D186 PolarHBondContact O-N 3.34Å; S184-T195 WeakPolarHBondContact CB-OG1 3.45Å; S184-T195 PolarHBondContact O-N 3.17Å; S184-T195 PolarHBondContact O-OG1 2.83Å; S184-V196 WeakPolarHBondContact OG-CB 3.29Å; S184-V196 PolarHBondContact OG-N 3.47Å |
| 185 | M | 88.7 | Confident | 86 | Confident | 92 Ų | 92 | 78.5 Ų | 78.5 | 45% | 0.453 | 45% | 0.448 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.3 | 113.1 | -177 | -169.3 | 172.4 | 70.3 | 0 | 0 | 110.8 | I187 C192 F194 | M185-I187 HydrophobicContact CE-CD1 4.17Å; M185-I187 HydrophobicContact CE-CG1 4.48Å; M185-C192 WeakPolarHBondContact CG-SG 3.19Å; M185-C192 PolarHBondContact SD-SG 3.47Å; M185-F194 HydrophobicContact CB-CD1 3.86Å; M185-F194 HydrophobicContact CB-CE1 3.75Å; M185-F194 HydrophobicContact CG-CD1 4.3Å; M185-F194 HydrophobicContact CG-CE1 3.95Å; M185-F194 HydrophobicContact CG-CZ 4.5Å; M185-F194 HydrophobicContact SD-CE1 4.24Å; M185-F194 HydrophobicContact SD-CZ 4.46Å |
| 186 | D | 80.5 | Confident | 86 | Confident | 71 Ų | 71 | 74.6 Ų | 74.6 | 38% | 0.38 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 122.3 | 177.4 | -170.6 | 2.9 | 0 | 0 | 0 | 110.1 | S184 S188 D193 T195 | S184-D186 PolarHBondContact O-N 3.34Å; D186-S188 WeakPolarHBondContact OD1-CB 3.36Å; D186-S188 PolarHBondContact OD1-N 3.1Å; D186-S188 PolarHBondContact OD1-OG 2.8Å; D186-D193 PolarHBondContact N-O 3Å; D186-T195 HydrophobicContact CB-CG2 4Å |
| 187 | I | 72 | Confident | 86 | Confident | 127 Ų | 127 | 68.5 Ų | 68.5 | 65% | 0.651 | 39% | 0.394 | S | S | * | . | trans | -98.7 | 1.8 | -178.3 | -43.7 | 178.4 | 0 | 0 | 0 | 110.3 | M185 G189 | M185-I187 HydrophobicContact CE-CD1 4.17Å; M185-I187 HydrophobicContact CE-CG1 4.48Å; I187-G189 PolarHBondContact O-N 3.45Å | ||
| 188 | S | 69.2 | Low | 86 | Confident | 108 Ų | 108 | 68 Ų | 68 | 76% | 0.755 | 39% | 0.391 | S | S | * | . | S | Bend | trans | -69 | -0.8 | -175.3 | -51.6 | 0 | 0 | 0 | 0 | 114.9 | D186 | D186-S188 WeakPolarHBondContact OD1-CB 3.36Å; D186-S188 PolarHBondContact OD1-N 3.1Å; D186-S188 PolarHBondContact OD1-OG 2.8Å |
| 189 | G | 62.9 | Low | 86.1 | Confident | 49 Ų | 49 | 67 Ų | 67 | 51% | 0.505 | 39% | 0.385 | S | S | . | . | S | Bend | trans | -129.6 | 168.8 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | I187 K191 | I187-G189 PolarHBondContact O-N 3.45Å; G189-K191 PolarHBondContact O-N 2.82Å; G189-K191 VanDerWaalsContact O-N 3.08Å |
| 190 | T | 59.7 | Low | 86.1 | Confident | 156 Ų | 156 | 60.5 Ų | 60.5 | 96% | 0.957 | 35% | 0.354 | S | S | * | . | S | Bend | trans | -68.8 | -2.2 | 175.2 | 56.7 | 0 | 0 | 0 | 0 | 114 | ||
| 191 | K | 67.2 | Low | 86.2 | Confident | 153 Ų | 153 | 57.8 Ų | 57.8 | 67% | 0.665 | 34% | 0.341 | S | S | * | . | S | Bend | trans | -126.8 | 131.2 | 170.7 | -66.5 | -175 | 178.1 | -177 | 0 | 108 | G189 D193 | G189-K191 PolarHBondContact O-N 2.82Å; G189-K191 VanDerWaalsContact O-N 3.08Å; K191-D193 PolarHBondContact O-N 2.81Å |
| 192 | C | 68.1 | Low | 86.2 | Confident | 76 Ų | 76 | 57.8 Ų | 57.8 | 51% | 0.514 | 34% | 0.341 | S | S | . | . | trans | -76.9 | 102.2 | 172 | -172.1 | 0 | 0 | 0 | 0 | 108.2 | M185 | M185-C192 WeakPolarHBondContact CG-SG 3.19Å; M185-C192 PolarHBondContact SD-SG 3.47Å | ||
| 193 | D | 84.5 | Confident | 86.3 | Confident | 89 Ų | 89 | 55.1 Ų | 55.1 | 48% | 0.476 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 141.9 | -179.6 | -81.9 | -47.3 | 0 | 0 | 0 | 109.8 | D186 K191 | D186-D193 PolarHBondContact N-O 3Å; K191-D193 PolarHBondContact O-N 2.81Å |
| 194 | F | 93 | Very high | 86.3 | Confident | 50 Ų | 50 | 52.1 Ų | 52.1 | 22% | 0.219 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 131 | 175.8 | -63.2 | -81.5 | 0 | 0 | 0 | 110 | I181 M185 V196 Q197 T253 | I181-F194 HydrophobicContact CG2-CD1 4.22Å; I181-F194 HydrophobicContact CG2-CG 4.3Å; I181-F194 VanDerWaalsContact O-CD1 3.24Å; I181-F194 WeakPolarHBondContact O-CD1 3.34Å; M185-F194 HydrophobicContact CB-CD1 3.86Å; M185-F194 HydrophobicContact CB-CE1 3.75Å; M185-F194 HydrophobicContact CG-CD1 4.3Å; M185-F194 HydrophobicContact CG-CE1 3.95Å; M185-F194 HydrophobicContact CG-CZ 4.5Å; M185-F194 HydrophobicContact SD-CE1 4.24Å; M185-F194 HydrophobicContact SD-CZ 4.46Å; F194-V196 VanDerWaalsContact C-N 3.35Å; F194-V196 WeakPolarHBondContact CB-O 3.21Å; F194-Q197 WeakPolarHBondContact O-CG 3.29Å; F194-Q197 PolarHBondContact O-NE2 3.44Å; F194-T253 HydrophobicContact CB-CG2 4.46Å; F194-T253 HydrophobicContact CD2-CG2 3.98Å; F194-T253 HydrophobicContact CG-CG2 4.39Å |
| 195 | T | 94.9 | Very high | 86.2 | Confident | 47 Ų | 47 | 52.8 Ų | 52.8 | 29% | 0.288 | 30% | 0.303 | S | S | . | . | S | Bend | trans | -76.1 | -24.1 | 173.8 | 58.4 | 0 | 0 | 0 | 0 | 112.2 | S184 D186 K286 Q287 | S184-T195 WeakPolarHBondContact CB-OG1 3.45Å; S184-T195 PolarHBondContact O-N 3.17Å; S184-T195 PolarHBondContact O-OG1 2.83Å; D186-T195 HydrophobicContact CB-CG2 4Å; T195-K286 CarbonylContact O-C 3.5Å; T195-K286 WeakPolarHBondContact O-CA 3.18Å; T195-Q287 PolarHBondContact O-N 3.04Å |
| 196 | V | 97.8 | Very high | 86.3 | Confident | 12 Ų | 12 | 50.2 Ų | 50.2 | 7% | 0.073 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 122.5 | 167 | 178.2 | 0 | 0 | 0 | 0 | 109.2 | L147 Q180 I181 S184 F194 L284 V285 K286 | L147-V196 HydrophobicContact CD1-CG1 3.79Å; L147-V196 HydrophobicContact CD1-CG2 4.17Å; Q180-V196 HydrophobicContact CB-CG1 4.41Å; I181-V196 HydrophobicContact CG1-CG1 3.99Å; S184-V196 WeakPolarHBondContact OG-CB 3.29Å; S184-V196 PolarHBondContact OG-N 3.47Å; F194-V196 VanDerWaalsContact C-N 3.35Å; F194-V196 WeakPolarHBondContact CB-O 3.21Å; V196-L284 HydrophobicContact CG1-CD1 3.78Å; V196-L284 HydrophobicContact CG1-CG 4.15Å; V196-V285 CarbonylContact C-O 3.37Å; V196-V285 VanDerWaalsContact CA-O 3.31Å; V196-V285 WeakPolarHBondContact CA-O 3.23Å; V196-K286 HydrophobicContact CG2-CB 4.35Å; V196-K286 HydrophobicContact CG2-CG 4.28Å |
| 197 | Q | 97.5 | Very high | 86.8 | Confident | 2 Ų | 2 | 49.1 Ų | 49.1 | 1% | 0.009 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 150.1 | -165.5 | -63.3 | 174.6 | 2.7 | 0 | 0 | 112 | F194 N251 T253 V285 | F194-Q197 WeakPolarHBondContact O-CG 3.29Å; F194-Q197 PolarHBondContact O-NE2 3.44Å; Q197-N251 VanDerWaalsContact CD-ND2 3.27Å; Q197-N251 PolarHBondContact NE2-ND2 3.11Å; Q197-N251 PolarHBondContact OE1-ND2 3.41Å; Q197-T253 VanDerWaalsContact CA-OG1 3.27Å; Q197-T253 WeakPolarHBondContact CA-OG1 3.3Å; Q197-T253 WeakPolarHBondContact CB-OG1 3.43Å; Q197-V285 HydrophobicContact CB-CG2 4.03Å; Q197-V285 PolarHBondContact N-O 3.05Å; Q197-V285 PolarHBondContact O-N 3.06Å |
| 198 | V | 98.3 | Very high | 87.6 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 114.2 | 162.9 | -176.9 | 0 | 0 | 0 | 0 | 108.4 | L150 F171 I181 I252 T253 V256 V282 L284 | L150-V198 HydrophobicContact CD1-CG1 4.01Å; L150-V198 HydrophobicContact CD1-CG2 4.21Å; F171-V198 HydrophobicContact CE2-CG1 4.36Å; F171-V198 HydrophobicContact CZ-CG1 4.02Å; I181-V198 HydrophobicContact CD1-CG2 3.9Å; V198-I252 HydrophobicContact CB-CG1 4.07Å; V198-I252 HydrophobicContact CG1-CD1 3.83Å; V198-I252 HydrophobicContact CG1-CG1 3.68Å; V198-I252 WeakPolarHBondContact O-CG1 3.36Å; V198-I252 PolarHBondContact O-N 2.81Å; V198-T253 PolarHBondContact N-OG1 3.46Å; V198-V256 HydrophobicContact CB-CG2 4.11Å; V198-V256 HydrophobicContact CG1-CG2 4.14Å; V198-V256 HydrophobicContact CG2-CG1 4.3Å; V198-V256 HydrophobicContact CG2-CG2 4.24Å; V198-V282 HydrophobicContact CG1-CG1 3.59Å; V198-L284 HydrophobicContact CG2-CD1 4.41Å |
| 199 | Q | 98.3 | Very high | 88.6 | Confident | 4 Ų | 4 | 41.6 Ų | 41.6 | 2% | 0.019 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 117.2 | -174.9 | -173.6 | 177.8 | 99.6 | 0 | 0 | 110.9 | Y144 R201 P249 I250 V282 Y283 V285 | Y144-Q199 VanDerWaalsContact CD1-NE2 3.31Å; Y144-Q199 VanDerWaalsContact CE1-NE2 3.27Å; Q199-R201 HydrophobicContact CG-CG 4.15Å; Q199-P249 VanDerWaalsContact CD-CB 3.46Å; Q199-P249 HydrophobicContact CG-CB 3.72Å; Q199-I250 WeakPolarHBondContact CA-O 3.49Å; Q199-V282 WeakPolarHBondContact O-CA 3.43Å; Q199-Y283 PolarHBondContact N-O 3.37Å; Q199-Y283 PolarHBondContact O-N 2.96Å; Q199-V285 HydrophobicContact CB-CG1 4.16Å; Q199-V285 HydrophobicContact CB-CG2 3.73Å |
| 200 | L | 98.4 | Very high | 90.1 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 131.6 | 171.7 | 168.8 | 61.1 | 0 | 0 | 0 | 109.8 | F202 V221 I250 I252 M280 V282 | L200-F202 HydrophobicContact CD1-CE2 3.97Å; L200-F202 HydrophobicContact CD1-CZ 3.93Å; L200-F202 HydrophobicContact CD2-CE2 3.75Å; L200-F202 HydrophobicContact CD2-CZ 3.98Å; L200-F202 HydrophobicContact CG-CD2 4.44Å; L200-F202 HydrophobicContact CG-CE2 3.76Å; L200-F202 HydrophobicContact CG-CZ 4.15Å; L200-V221 HydrophobicContact CD2-CG1 3.75Å; L200-V221 HydrophobicContact CD2-CG2 4.33Å; L200-I250 HydrophobicContact CB-CB 4.27Å; L200-I250 HydrophobicContact CD2-CD1 4.13Å; L200-I250 HydrophobicContact CG-CD1 4.24Å; L200-I250 PolarHBondContact N-O 2.94Å; L200-I250 PolarHBondContact O-N 3.48Å; L200-I252 HydrophobicContact CB-CD1 4.21Å; L200-I252 HydrophobicContact CB-CG1 4.41Å; L200-I252 HydrophobicContact CB-CG2 3.93Å; L200-I252 HydrophobicContact CD2-CG2 4.22Å; L200-M280 HydrophobicContact CD1-CE 3.38Å; L200-M280 HydrophobicContact CD1-CG 3.71Å; L200-M280 HydrophobicContact CD1-SD 4.35Å; L200-M280 HydrophobicContact CD2-CE 4.45Å; L200-V282 HydrophobicContact CD1-CG2 4.08Å |
| 201 | R | 98.2 | Very high | 91.8 | Very high | 12 Ų | 12 | 36.4 Ų | 36.4 | 5% | 0.045 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 150.2 | 176.1 | -60.4 | -175 | 70.9 | -173.1 | 2.8 | 111.4 | L138 Q139 Q199 D213 P249 M280 A281 Y283 | L138-R201 HydrophobicContact CD2-CB 3.47Å; L138-R201 VanDerWaalsContact CD2-CB 3.47Å; L138-R201 HydrophobicContact CD2-CG 4.33Å; Q139-R201 PolarHBondContact O-NH1 3.35Å; Q139-R201 PolarHBondContact O-NH2 2.81Å; Q199-R201 HydrophobicContact CG-CG 4.15Å; R201-D213 IonicContact CZ-OD1 2.94Å; R201-D213 IonicContact CZ-OD2 2.65Å; R201-D213 IonicContact NE-OD1 3.78Å; R201-D213 PolarHBondContact NE-OD1 3.38Å; R201-D213 IonicContact NE-OD2 2.74Å; R201-D213 PolarHBondContact NE-OD2 3.06Å; R201-D213 IonicContact NH2-OD1 2.8Å; R201-D213 IonicContact NH2-OD2 3.25Å; R201-D213 PolarHBondContact NH2-OD2 3.25Å; R201-P249 HydrophobicContact CG-CB 4.14Å; R201-M280 WeakPolarHBondContact O-CA 3.07Å; R201-A281 PolarHBondContact N-O 3.03Å; R201-A281 PolarHBondContact O-N 2.95Å; R201-Y283 HydrophobicContact CG-CD2 4.37Å |
| 202 | F | 97.5 | Very high | 93.1 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 146.1 | 174.6 | -66.2 | -80.9 | 0 | 0 | 0 | 109.6 | L156 L200 D213 H214 F215 L219 V221 I250 V268 S279 M280 | L156-F202 HydrophobicContact CD1-CD1 4.09Å; L156-F202 HydrophobicContact CD1-CE1 4.1Å; L200-F202 HydrophobicContact CD1-CE2 3.97Å; L200-F202 HydrophobicContact CD1-CZ 3.93Å; L200-F202 HydrophobicContact CD2-CE2 3.75Å; L200-F202 HydrophobicContact CD2-CZ 3.98Å; L200-F202 HydrophobicContact CG-CD2 4.44Å; L200-F202 HydrophobicContact CG-CE2 3.76Å; L200-F202 HydrophobicContact CG-CZ 4.15Å; F202-D213 CarbonylContact O-C 3.58Å; F202-D213 VanDerWaalsContact O-CA 3.28Å; F202-D213 WeakPolarHBondContact O-CA 3.35Å; F202-H214 CarbonylContact C-O 3.59Å; F202-H214 WeakPolarHBondContact CB-O 3.39Å; F202-H214 PolarHBondContact O-N 2.65Å; F202-F215 HydrophobicContact CB-CD1 4.21Å; F202-F215 AromaticContact CD2-CD1 3.9Å; F202-F215 HydrophobicContact CD2-CD1 3.9Å; F202-F215 HydrophobicContact CD2-CE1 4.12Å; F202-F215 HydrophobicContact CG-CD1 4.43Å; F202-L219 HydrophobicContact CD2-CD2 3.85Å; F202-L219 HydrophobicContact CE1-CD1 4.29Å; F202-L219 HydrophobicContact CE2-CD1 4.19Å; F202-L219 HydrophobicContact CE2-CD2 3.76Å; F202-L219 HydrophobicContact CZ-CD1 3.96Å; F202-L219 HydrophobicContact CZ-CD2 4.37Å; F202-V221 HydrophobicContact CE2-CG2 4Å; F202-V221 HydrophobicContact CZ-CG2 3.89Å; F202-I250 HydrophobicContact CD2-CD1 4.08Å; F202-I250 HydrophobicContact CE2-CD1 3.83Å; F202-V268 HydrophobicContact CE1-CG1 3.78Å; F202-V268 HydrophobicContact CE1-CG2 4.11Å; F202-V268 HydrophobicContact CZ-CG1 3.92Å; F202-V268 HydrophobicContact CZ-CG2 3.92Å; F202-S279 CarbonylContact C-O 3.59Å; F202-S279 VanDerWaalsContact CA-O 3.32Å; F202-S279 WeakPolarHBondContact CA-O 3.18Å; F202-M280 HydrophobicContact CD1-CB 4.02Å; F202-M280 HydrophobicContact CD1-CG 4.22Å; F202-M280 HydrophobicContact CE1-CB 3.9Å; F202-M280 HydrophobicContact CE1-CG 3.74Å; F202-M280 HydrophobicContact CE1-SD 4.18Å; F202-M280 HydrophobicContact CZ-CG 4.32Å |
| 203 | C | 96.6 | Very high | 94.4 | Very high | 1 Ų | 1 | 32.4 Ų | 32.4 | 1% | 0.007 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 171.9 | 177 | 58.3 | 0 | 0 | 0 | 0 | 111.3 | L138 Q211 Y278 S279 | L138-C203 HydrophobicContact CD2-CB 4.16Å; L138-C203 HydrophobicContact CG-CB 4.16Å; C203-Q211 HydrophobicContact CB-CB 3.66Å; C203-Q211 HydrophobicContact CB-CG 4.37Å; C203-Y278 CarbonylContact O-C 3.55Å; C203-Y278 VanDerWaalsContact O-CA 3.31Å; C203-Y278 WeakPolarHBondContact O-CA 3.06Å; C203-S279 PolarHBondContact N-O 3.35Å; C203-S279 PolarHBondContact O-N 3.09Å |
| 204 | L | 94.4 | Very high | 94.9 | Very high | 32 Ų | 32 | 30.2 Ų | 30.2 | 17% | 0.168 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 146.3 | 164.2 | -65.7 | 172.1 | 0 | 0 | 0 | 109.6 | E206 Q211 H214 Y278 | L204-E206 HydrophobicContact CB-CG 3.84Å; L204-E206 PolarHBondContact O-N 2.84Å; L204-Q211 WeakPolarHBondContact O-CG 3.48Å; L204-H214 HydrophobicContact CG-CB 4.19Å; L204-Y278 HydrophobicContact CD2-CD1 3.94Å; L204-Y278 HydrophobicContact CD2-CE1 3.53Å |
| 205 | S | 92.4 | Very high | 95.1 | Very high | 27 Ų | 27 | 28.5 Ų | 28.5 | 19% | 0.189 | 16% | 0.159 | C | C | . | . | trans | -79.7 | 52 | 175.9 | -46.6 | 0 | 0 | 0 | 0 | 112.6 | N277 Y278 S279 | S205-N277 PolarHBondContact N-O 3.5Å; S205-N277 VanDerWaalsContact OG-C 3.3Å; S205-N277 PolarHBondContact OG-O 3.31Å; S205-Y278 WeakPolarHBondContact OG-CA 3.49Å; S205-Y278 PolarHBondContact OG-N 2.96Å; S205-Y278 PolarHBondContact OG-O 2.7Å; S205-S279 PolarHBondContact OG-N 3.34Å; S205-S279 PolarHBondContact OG-OG 2.96Å | ||
| 206 | E | 90.7 | Very high | 95 | Very high | 38 Ų | 38 | 26.5 Ų | 26.5 | 18% | 0.178 | 15% | 0.148 | C | C | . | . | trans | -99.2 | 144.1 | 171.9 | -29.1 | -151.7 | 142.2 | 0 | 0 | 111 | K56 R63 L204 Q211 | K56-E206 IonicContact NZ-OE2 2.73Å; K56-E206 PolarHBondContact NZ-OE2 2.85Å; R63-E206 IonicContact CZ-OE1 3.42Å; R63-E206 IonicContact NH1-OE1 2.73Å; R63-E206 PolarHBondContact NH1-OE1 3.34Å; R63-E206 IonicContact NH2-OE1 3.96Å; R63-E206 PolarHBondContact NH2-OE1 3.06Å; R63-E206 IonicContact NH2-OE2 3.54Å; L204-E206 HydrophobicContact CB-CG 3.84Å; L204-E206 PolarHBondContact O-N 2.84Å; E206-Q211 PolarHBondContact O-NE2 3.3Å | ||
| 207 | T | 91 | Very high | 94.8 | Very high | 49 Ų | 49 | 27.4 Ų | 27.4 | 30% | 0.301 | 15% | 0.154 | S | C | . | . | trans | -115.9 | 1.5 | -177.5 | 56.6 | 0 | 0 | 0 | 0 | 113.8 | D135 I136 C209 | D135-T207 HydrophobicContact CB-CG2 3.72Å; I136-T207 HydrophobicContact CG1-CG2 3.77Å; T207-C209 VanDerWaalsContact C-N 3.3Å; T207-C209 PolarHBondContact O-N 3.32Å | ||
| 208 | S | 89.7 | Confident | 94.5 | Very high | 20 Ų | 20 | 31.2 Ų | 31.2 | 14% | 0.14 | 17% | 0.174 | C | C | . | . | S | Bend | trans | -71.8 | -18.7 | 178.2 | 53.5 | 0 | 0 | 0 | 0 | 115 | Y25 K56 E59 | Y25-S208 PolarHBondContact OH-O 2.94Å; K56-S208 PolarHBondContact NZ-OG 3.35Å; E59-S208 WeakPolarHBondContact OE2-CB 3.45Å; E59-S208 PolarHBondContact OE2-OG 2.7Å |
| 209 | C | 90.3 | Very high | 94.3 | Very high | 56 Ų | 56 | 31.6 Ų | 31.6 | 38% | 0.378 | 18% | 0.176 | S | C | . | . | S | Bend | trans | -160.5 | 163.1 | -178.6 | 52.2 | 0 | 0 | 0 | 0 | 110.5 | T207 Q211 | T207-C209 VanDerWaalsContact C-N 3.3Å; T207-C209 PolarHBondContact O-N 3.32Å; C209-Q211 PolarHBondContact O-N 3.43Å; C209-Q211 PolarHBondContact O-NE2 2.76Å; C209-Q211 PolarHBondContact SG-NE2 2.87Å |
| 210 | P | 92.9 | Very high | 94.2 | Very high | 83 Ų | 83 | 33.9 Ų | 33.9 | 54% | 0.539 | 19% | 0.192 | S | C | . | . | P | Polyproline II helix | trans | -57.4 | 133.7 | 166.1 | -22.3 | 34.1 | 0 | 0 | 0 | 111 | K137 Q139 | K137-P210 CarbonylContact O-C 3.55Å; K137-P210 VanDerWaalsContact O-CA 3.26Å; K137-P210 WeakPolarHBondContact O-CA 3.47Å; Q139-P210 HydrophobicContact CB-CB 4.43Å |
| 211 | Q | 95.5 | Very high | 94.2 | Very high | 13 Ų | 13 | 34 Ų | 34 | 6% | 0.061 | 19% | 0.192 | C | C | . | . | B | Isolated β-bridge | trans | -91.8 | 132.7 | -171.9 | -60.5 | -62.2 | -65.3 | 0 | 0 | 112.4 | K137 L138 Q139 C203 L204 E206 C209 | K137-Q211 PolarHBondContact O-N 2.98Å; L138-Q211 CarbonylContact C-O 3.46Å; L138-Q211 WeakPolarHBondContact CA-O 3.48Å; Q139-Q211 PolarHBondContact N-O 2.97Å; C203-Q211 HydrophobicContact CB-CB 3.66Å; C203-Q211 HydrophobicContact CB-CG 4.37Å; L204-Q211 WeakPolarHBondContact O-CG 3.48Å; E206-Q211 PolarHBondContact O-NE2 3.3Å; C209-Q211 PolarHBondContact O-N 3.43Å; C209-Q211 PolarHBondContact O-NE2 2.76Å; C209-Q211 PolarHBondContact SG-NE2 2.87Å |
| 212 | E | 94.8 | Very high | 94.2 | Very high | 123 Ų | 123 | 37.2 Ų | 37.2 | 58% | 0.575 | 21% | 0.207 | S | C | * | . | P | Polyproline II helix | trans | -64.7 | 157.6 | 163.8 | -77.5 | -176.7 | 165.5 | 0 | 0 | 110.6 | H214 | E212-H214 PolarHBondContact O-N 3.25Š|
| 213 | D | 96.5 | Very high | 94.2 | Very high | 23 Ų | 23 | 37.2 Ų | 37.2 | 12% | 0.123 | 21% | 0.207 | C | C | . | . | P | Polyproline II helix | trans | -60.6 | 127.1 | 172.6 | -66.2 | -88.2 | 0 | 0 | 0 | 110.1 | R201 F202 S247 | R201-D213 IonicContact CZ-OD1 2.94Å; R201-D213 IonicContact CZ-OD2 2.65Å; R201-D213 IonicContact NE-OD1 3.78Å; R201-D213 PolarHBondContact NE-OD1 3.38Å; R201-D213 IonicContact NE-OD2 2.74Å; R201-D213 PolarHBondContact NE-OD2 3.06Å; R201-D213 IonicContact NH2-OD1 2.8Å; R201-D213 IonicContact NH2-OD2 3.25Å; R201-D213 PolarHBondContact NH2-OD2 3.25Å; F202-D213 CarbonylContact O-C 3.58Å; F202-D213 VanDerWaalsContact O-CA 3.28Å; F202-D213 WeakPolarHBondContact O-CA 3.35Å; D213-S247 WeakPolarHBondContact O-CB 3.39Å |
| 214 | H | 95.4 | Very high | 94.3 | Very high | 43 Ų | 43 | 37.6 Ų | 37.6 | 20% | 0.199 | 21% | 0.209 | C | C | . | . | trans | -140.1 | 110.9 | 177.1 | -162 | -44.5 | 0 | 0 | 0 | 110.7 | F202 L204 E212 S247 Y278 | F202-H214 CarbonylContact C-O 3.59Å; F202-H214 WeakPolarHBondContact CB-O 3.39Å; F202-H214 PolarHBondContact O-N 2.65Å; L204-H214 HydrophobicContact CG-CB 4.19Å; E212-H214 PolarHBondContact O-N 3.25Å; H214-S247 WeakPolarHBondContact CA-OG 3.39Å; H214-Y278 AromaticContact ND1-CE1 3.87Å | ||
| 215 | F | 95.8 | Very high | 94.4 | Very high | 13 Ų | 13 | 41.8 Ų | 41.8 | 6% | 0.057 | 24% | 0.236 | C | C | . | . | P | Polyproline II helix | trans | -69.8 | 140.9 | 172.7 | -63.1 | -29.5 | 0 | 0 | 0 | 111.5 | F202 L219 P231 R245 P246 S247 R248 I250 | F202-F215 HydrophobicContact CB-CD1 4.21Å; F202-F215 AromaticContact CD2-CD1 3.9Å; F202-F215 HydrophobicContact CD2-CD1 3.9Å; F202-F215 HydrophobicContact CD2-CE1 4.12Å; F202-F215 HydrophobicContact CG-CD1 4.43Å; F215-L219 HydrophobicContact CB-CD2 3.86Å; F215-L219 HydrophobicContact CD1-CD2 3.56Å; F215-L219 HydrophobicContact CD2-CD2 4.43Å; F215-L219 HydrophobicContact CE1-CD2 4.2Å; F215-L219 HydrophobicContact CG-CD2 3.7Å; F215-P231 HydrophobicContact CE2-CG 4.08Å; F215-P231 HydrophobicContact CZ-CG 4.21Å; F215-R245 HydrophobicContact CD2-CB 4.47Å; F215-R245 HydrophobicContact CD2-CG 3.84Å; F215-R245 HydrophobicContact CE2-CG 3.83Å; F215-P246 WeakPolarHBondContact CE2-O 3.32Å; F215-S247 PolarHBondContact N-OG 3.42Å; F215-S247 VanDerWaalsContact N-OG 3.15Å; F215-R248 WeakPolarHBondContact CE1-O 3.43Å; F215-R248 WeakPolarHBondContact CZ-O 3.35Å; F215-I250 HydrophobicContact CE1-CD1 3.73Å; F215-I250 HydrophobicContact CE1-CG1 4.05Å; F215-I250 HydrophobicContact CZ-CD1 4.06Å; F215-I250 HydrophobicContact CZ-CG1 4.03Å |
| 216 | P | 94.4 | Very high | 94.7 | Very high | 6 Ų | 6 | 46.5 Ų | 46.5 | 4% | 0.039 | 25% | 0.253 | C | S | . | . | P | Polyproline II helix | trans | -58.8 | 156.5 | 160.1 | -23 | 33.3 | 0 | 0 | 0 | 112.3 | L156 L219 W270 Y278 | L156-P216 HydrophobicContact CD1-CG 3.75Å; P216-L219 HydrophobicContact CG-CD1 4.37Å; P216-L219 WeakPolarHBondContact O-CB 3.5Å; P216-W270 HydrophobicContact CB-CB 3.6Å; P216-W270 HydrophobicContact CB-CG 3.81Å; P216-W270 HydrophobicContact CG-CB 4.36Å; P216-W270 HydrophobicContact CG-CG 4.38Å; P216-Y278 HydrophobicContact CB-CD1 4.23Å; P216-Y278 HydrophobicContact CB-CD2 4.24Å; P216-Y278 HydrophobicContact CB-CE1 4.43Å; P216-Y278 HydrophobicContact CB-CE2 4.45Å; P216-Y278 HydrophobicContact CB-CG 4.14Å; P216-Y278 HydrophobicContact CG-CD1 3.86Å; P216-Y278 HydrophobicContact CG-CD2 4.31Å; P216-Y278 HydrophobicContact CG-CE1 4.49Å; P216-Y278 HydrophobicContact CG-CG 3.76Å |
| 217 | P | 91.6 | Very high | 95 | Very high | 31 Ų | 31 | 49.4 Ų | 49.4 | 20% | 0.201 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | 144.8 | 172 | -18 | 31.2 | 0 | 0 | 0 | 111.6 | L219 T271 E273 | P217-L219 PolarHBondContact O-N 2.99Å; P217-L219 VanDerWaalsContact O-N 3.11Å; P217-T271 PolarHBondContact O-N 2.97Å; P217-E273 HydrophobicContact CG-CG 3.87Å; P217-E273 WeakPolarHBondContact CG-OE1 3.5Å |
| 218 | N | 91.8 | Very high | 95.2 | Very high | 82 Ų | 82 | 47.8 Ų | 47.8 | 44% | 0.439 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.8 | 31 | -178.6 | -57.2 | -39 | 0 | 0 | 0 | 114.1 | C220 T271 | N218-C220 PolarHBondContact O-N 3.27Å; N218-T271 WeakPolarHBondContact CB-OG1 3.4Å; N218-T271 PolarHBondContact ND2-OG1 3.44Å |
| 219 | L | 95.5 | Very high | 95.3 | Very high | 7 Ų | 7 | 52.3 Ų | 52.3 | 4% | 0.037 | 30% | 0.297 | C | S | . | . | trans | -55.8 | 123.9 | 178.6 | 178.9 | 67.6 | 0 | 0 | 0 | 111.2 | F202 F215 P216 P217 V221 L230 R245 V268 S269 | F202-L219 HydrophobicContact CD2-CD2 3.85Å; F202-L219 HydrophobicContact CE1-CD1 4.29Å; F202-L219 HydrophobicContact CE2-CD1 4.19Å; F202-L219 HydrophobicContact CE2-CD2 3.76Å; F202-L219 HydrophobicContact CZ-CD1 3.96Å; F202-L219 HydrophobicContact CZ-CD2 4.37Å; F215-L219 HydrophobicContact CB-CD2 3.86Å; F215-L219 HydrophobicContact CD1-CD2 3.56Å; F215-L219 HydrophobicContact CD2-CD2 4.43Å; F215-L219 HydrophobicContact CE1-CD2 4.2Å; F215-L219 HydrophobicContact CG-CD2 3.7Å; P216-L219 HydrophobicContact CG-CD1 4.37Å; P216-L219 WeakPolarHBondContact O-CB 3.5Å; P217-L219 PolarHBondContact O-N 2.99Å; P217-L219 VanDerWaalsContact O-N 3.11Å; L219-V221 HydrophobicContact CD1-CG2 3.85Å; L219-V221 HydrophobicContact CD2-CG2 4.36Å; L219-V221 HydrophobicContact CG-CG2 4.05Å; L219-L230 HydrophobicContact CB-CD1 4.38Å; L219-L230 HydrophobicContact CD2-CD1 4.11Å; L219-L230 HydrophobicContact CD2-CD2 4.44Å; L219-L230 HydrophobicContact CG-CD1 3.95Å; L219-L230 WeakPolarHBondContact O-CD1 3.42Å; L219-R245 PolarHBondContact O-NH1 2.77Å; L219-R245 VanDerWaalsContact O-NH1 3.14Å; L219-V268 HydrophobicContact CD1-CG1 3.68Å; L219-S269 WeakPolarHBondContact CA-O 3.48Å | ||
| 220 | C | 95.7 | Very high | 95.5 | Very high | 52 Ų | 52 | 51.1 Ų | 51.1 | 35% | 0.351 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 141.2 | 166.1 | -175.9 | 0 | 0 | 0 | 0 | 108.2 | N218 S269 | N218-C220 PolarHBondContact O-N 3.27Å; C220-S269 PolarHBondContact N-O 3.13Å; C220-S269 PolarHBondContact O-N 3.15Å |
| 221 | V | 97.9 | Very high | 95.3 | Very high | 2 Ų | 2 | 48.8 Ų | 48.8 | 1% | 0.012 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 135 | 178.7 | 178.4 | 0 | 0 | 0 | 0 | 108.7 | L200 F202 L219 V223 C228 L230 I266 V267 | L200-V221 HydrophobicContact CD2-CG1 3.75Å; L200-V221 HydrophobicContact CD2-CG2 4.33Å; F202-V221 HydrophobicContact CE2-CG2 4Å; F202-V221 HydrophobicContact CZ-CG2 3.89Å; L219-V221 HydrophobicContact CD1-CG2 3.85Å; L219-V221 HydrophobicContact CD2-CG2 4.36Å; L219-V221 HydrophobicContact CG-CG2 4.05Å; V221-V223 HydrophobicContact CG1-CG2 4.21Å; V221-C228 HydrophobicContact CB-CB 3.96Å; V221-C228 HydrophobicContact CG1-CB 3.93Å; V221-C228 WeakPolarHBondContact O-CB 3.24Å; V221-C228 PolarHBondContact O-N 3.06Å; V221-L230 HydrophobicContact CG2-CD2 4.37Å; V221-I266 HydrophobicContact CG1-CG2 3.76Å; V221-V267 CarbonylContact C-O 3.45Å; V221-V267 WeakPolarHBondContact CA-O 3.43Å |
| 222 | K | 98.2 | Very high | 95 | Very high | 81 Ų | 81 | 50.9 Ų | 50.9 | 35% | 0.352 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 133.7 | 168.9 | -58.1 | 170 | -174.1 | 163.3 | 0 | 108.8 | K226 I266 V267 | K222-K226 CarbonylContact C-O 3.45Å; K222-K226 WeakPolarHBondContact CA-O 3.41Å; K222-I266 CarbonylContact O-C 3.45Å; K222-I266 WeakPolarHBondContact O-CA 3.47Å; K222-V267 HydrophobicContact CB-CB 4.35Å; K222-V267 PolarHBondContact N-O 2.9Å; K222-V267 PolarHBondContact O-N 3.35Å |
| 223 | V | 98.4 | Very high | 94.6 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 122.9 | 175.7 | -179.7 | 0 | 0 | 0 | 0 | 107.6 | V221 T225 K226 I252 L255 V256 T265 I266 | V221-V223 HydrophobicContact CG1-CG2 4.21Å; V223-T225 VanDerWaalsContact C-N 3.31Å; V223-T225 PolarHBondContact O-N 2.74Å; V223-K226 PolarHBondContact N-O 2.81Å; V223-K226 PolarHBondContact O-N 3.47Å; V223-I252 HydrophobicContact CG1-CD1 4.42Å; V223-I252 HydrophobicContact CG2-CB 4.21Å; V223-I252 HydrophobicContact CG2-CD1 4.12Å; V223-I252 HydrophobicContact CG2-CG2 4.14Å; V223-L255 HydrophobicContact CB-CB 3.73Å; V223-L255 HydrophobicContact CB-CD1 4.06Å; V223-L255 HydrophobicContact CG1-CB 3.79Å; V223-L255 HydrophobicContact CG2-CD1 4.31Å; V223-V256 HydrophobicContact CG1-CG2 4.38Å; V223-T265 CarbonylContact C-O 3.51Å; V223-T265 WeakPolarHBondContact CA-O 3.39Å; V223-I266 HydrophobicContact CG2-CG1 4.29Å; V223-I266 HydrophobicContact CG2-CG2 4.2Å |
| 224 | N | 97.9 | Very high | 93.9 | Very high | 9 Ų | 9 | 54.5 Ų | 54.5 | 5% | 0.048 | 31% | 0.311 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 47.7 | 52.3 | -174.4 | -62.2 | -51 | 0 | 0 | 0 | 112.5 | K226 L255 R257 N264 T265 | N224-K226 PolarHBondContact O-N 3.08Å; N224-L255 PolarHBondContact ND2-O 3.28Å; N224-R257 PolarHBondContact OD1-NH1 3.2Å; N224-N264 PolarHBondContact ND2-OD1 2.8Å; N224-N264 WeakPolarHBondContact OD1-CA 3.35Å; N224-T265 PolarHBondContact N-O 2.94Å; N224-T265 PolarHBondContact OD1-N 2.93Å |
| 225 | T | 96.4 | Very high | 93.1 | Very high | 120 Ų | 120 | 57.6 Ų | 57.6 | 74% | 0.736 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.2 | -17.3 | -172.6 | 76.3 | 0 | 0 | 0 | 0 | 117.2 | V223 | V223-T225 VanDerWaalsContact C-N 3.31Å; V223-T225 PolarHBondContact O-N 2.74Å |
| 226 | K | 97.9 | Very high | 92.1 | Very high | 125 Ų | 125 | 60.8 Ų | 60.8 | 54% | 0.543 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 135.2 | 178.2 | -62.8 | -177.7 | 179.7 | -178.2 | 0 | 111.5 | K222 V223 N224 L255 | K222-K226 CarbonylContact C-O 3.45Å; K222-K226 WeakPolarHBondContact CA-O 3.41Å; V223-K226 PolarHBondContact N-O 2.81Å; V223-K226 PolarHBondContact O-N 3.47Å; N224-K226 PolarHBondContact O-N 3.08Å; K226-L255 HydrophobicContact CB-CD2 4.07Å; K226-L255 HydrophobicContact CD-CD2 4.18Å |
| 227 | P | 96.9 | Very high | 91.3 | Very high | 99 Ų | 99 | 66.6 Ų | 66.6 | 64% | 0.643 | 39% | 0.393 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -65.6 | 139.7 | 176 | 28.3 | -34.3 | 0 | 0 | 0 | 111.1 | ||
| 228 | C | 95.8 | Very high | 90.6 | Very high | 16 Ų | 16 | 72.5 Ų | 72.5 | 11% | 0.108 | 42% | 0.415 | C | S | . | . | P | Polyproline II helix | trans | -94.3 | 129.6 | 178.6 | -177.1 | 0 | 0 | 0 | 0 | 111.1 | V221 L230 I250 L255 | V221-C228 HydrophobicContact CB-CB 3.96Å; V221-C228 HydrophobicContact CG1-CB 3.93Å; V221-C228 WeakPolarHBondContact O-CB 3.24Å; V221-C228 PolarHBondContact O-N 3.06Å; C228-L230 PolarHBondContact O-N 3.35Å; C228-I250 VanDerWaalsContact SG-CG2 3.56Å; C228-L255 HydrophobicContact CB-CD1 3.87Å |
| 229 | S | 93.1 | Very high | 89.7 | Confident | 115 Ų | 115 | 76.8 Ų | 76.8 | 80% | 0.804 | 44% | 0.439 | S | S | * | . | trans | -71.9 | 107.8 | 176.8 | -63.4 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 230 | L | 93.4 | Very high | 88.7 | Confident | 31 Ų | 31 | 80.7 Ų | 80.7 | 16% | 0.162 | 48% | 0.48 | C | S | . | . | P | Polyproline II helix | trans | -86.9 | 157.4 | 174.7 | -59.7 | 177.7 | 0 | 0 | 0 | 110.9 | L219 V221 C228 R245 I250 | L219-L230 HydrophobicContact CB-CD1 4.38Å; L219-L230 HydrophobicContact CD2-CD1 4.11Å; L219-L230 HydrophobicContact CD2-CD2 4.44Å; L219-L230 HydrophobicContact CG-CD1 3.95Å; L219-L230 WeakPolarHBondContact O-CD1 3.42Å; V221-L230 HydrophobicContact CG2-CD2 4.37Å; C228-L230 PolarHBondContact O-N 3.35Å; L230-R245 VanDerWaalsContact CD1-NH1 3.33Å; L230-I250 HydrophobicContact CD2-CD1 3.44Å; L230-I250 VanDerWaalsContact CD2-CD1 3.44Å; L230-I250 HydrophobicContact CD2-CG1 4.1Å |
| 231 | P | 89.7 | Confident | 87.5 | Confident | 34 Ų | 34 | 81.8 Ų | 81.8 | 22% | 0.221 | 49% | 0.485 | C | S | . | . | P | Polyproline II helix | trans | -50.5 | 143.9 | 174.9 | -28.7 | 35.3 | 0 | 0 | 0 | 113.1 | F215 R245 P246 R248 | F215-P231 HydrophobicContact CE2-CG 4.08Å; F215-P231 HydrophobicContact CZ-CG 4.21Å; P231-R245 HydrophobicContact CB-CG 4.2Å; P231-R245 VanDerWaalsContact O-CD 3.29Å; P231-R245 WeakPolarHBondContact O-CD 3.47Å; P231-R245 VanDerWaalsContact O-CG 3.3Å; P231-R245 WeakPolarHBondContact O-CG 3.43Å; P231-R245 PolarHBondContact O-NE 2.84Å; P231-P246 HydrophobicContact CB-CG 3.99Å; P231-R248 HydrophobicContact CG-CB 4.42Å |
| 232 | G | 87.6 | Confident | 86.3 | Confident | 57 Ų | 57 | 88.8 Ų | 88.8 | 59% | 0.588 | 52% | 0.518 | S | S | * | . | P | Polyproline II helix | trans | -60.6 | 152.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | P246 | G232-P246 WeakPolarHBondContact O-CD 3.35Š|
| 233 | Y | 86.8 | Confident | 85 | Confident | 121 Ų | 121 | 87.8 Ų | 87.8 | 48% | 0.475 | 52% | 0.52 | S | S | . | . | P | Polyproline II helix | trans | -66.4 | 139.6 | 172 | -73.7 | -86.1 | 0 | 0 | 0 | 110.4 | P243 R245 | Y233-P243 HydrophobicContact CD1-CB 3.82Å; Y233-P243 WeakPolarHBondContact CD1-O 3.44Å; Y233-P243 WeakPolarHBondContact CE1-O 3.39Å; Y233-P243 HydrophobicContact CG-CB 4.28Å; Y233-R245 HydrophobicContact CD1-CB 4.15Å; Y233-R245 HydrophobicContact CE1-CB 4.14Å; Y233-R245 VanDerWaalsContact CE2-NH2 3.28Å |
| 234 | L | 80.9 | Confident | 84.2 | Confident | 100 Ų | 100 | 94.2 Ų | 94.2 | 52% | 0.524 | 55% | 0.547 | S | S | . | . | P | Polyproline II helix | trans | -75.7 | 145.1 | 168.9 | -64.1 | 176.4 | 0 | 0 | 0 | 109.5 | K244 P246 | L234-K244 PolarHBondContact N-O 3.25Å; L234-P246 HydrophobicContact CD1-CB 4.35Å; L234-P246 HydrophobicContact CG-CG 4.32Å |
| 235 | P | 79 | Confident | 83.7 | Confident | 108 Ų | 108 | 96 Ų | 96 | 70% | 0.701 | 55% | 0.554 | S | S | * | * | P | Polyproline II helix | trans | -54.1 | 141.5 | 169.8 | -24.7 | 34.3 | 0 | 0 | 0 | 111.1 | T237 | P235-T237 PolarHBondContact O-N 3.46Š|
| 236 | P | 76.2 | Confident | 83.4 | Confident | 80 Ų | 80 | 92 Ų | 92 | 52% | 0.519 | 53% | 0.529 | S | S | . | . | P | Polyproline II helix | trans | -63.5 | 127.8 | 177.5 | 26.9 | -33.8 | 0 | 0 | 0 | 110 | K238 | P236-K238 VanDerWaalsContact C-N 3.32Š|
| 237 | T | 76 | Confident | 83.2 | Confident | 128 Ų | 128 | 87.6 Ų | 87.6 | 79% | 0.785 | 52% | 0.515 | S | S | * | . | S | Bend | trans | -79.7 | -14.6 | -177.4 | 54.2 | 0 | 0 | 0 | 0 | 113.6 | P235 | P235-T237 PolarHBondContact O-N 3.46Š|
| 238 | K | 77.3 | Confident | 83.1 | Confident | 155 Ų | 155 | 87.3 Ų | 87.3 | 67% | 0.674 | 50% | 0.501 | S | S | * | . | S | Bend | trans | -149.7 | 148.5 | 175.3 | -62.1 | -172.2 | 178.7 | -172.7 | 0 | 109.5 | P236 G240 V241 | P236-K238 VanDerWaalsContact C-N 3.32Å; K238-G240 PolarHBondContact O-N 3.42Å; K238-V241 HydrophobicContact CB-CG2 3.97Å; K238-V241 PolarHBondContact O-N 2.85Å |
| 239 | N | 73.3 | Confident | 83.1 | Confident | 173 Ų | 173 | 88.2 Ų | 88.2 | 93% | 0.925 | 51% | 0.506 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | 133.8 | 175.9 | -62.3 | 23.1 | 0 | 0 | 0 | 110.3 | ||
| 240 | G | 73.8 | Confident | 83.3 | Confident | 89 Ų | 89 | 83.1 Ų | 83.1 | 92% | 0.918 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.6 | -2.4 | -179.4 | 0 | 0 | 0 | 0 | 0 | 116 | K238 | K238-G240 PolarHBondContact O-N 3.42Š|
| 241 | V | 72 | Confident | 83.5 | Confident | 75 Ų | 75 | 84.7 Ų | 84.7 | 46% | 0.455 | 48% | 0.479 | S | S | . | . | P | Polyproline II helix | trans | -85.1 | 123.4 | 170.8 | -179.2 | 0 | 0 | 0 | 0 | 109.4 | K238 | K238-V241 HydrophobicContact CB-CG2 3.97Å; K238-V241 PolarHBondContact O-N 2.85Å |
| 242 | E | 70.9 | Confident | 83.8 | Confident | 148 Ų | 148 | 83.1 Ų | 83.1 | 69% | 0.692 | 47% | 0.468 | S | S | * | . | P | Polyproline II helix | trans | -59.1 | 134.5 | 176.8 | -170.6 | 179.3 | 178.5 | 0 | 0 | 111 | K244 | E242-K244 PolarHBondContact O-N 3.17Å; E242-K244 VanDerWaalsContact O-N 3.1Å |
| 243 | P | 72.3 | Confident | 84.3 | Confident | 60 Ų | 60 | 80.7 Ų | 80.7 | 39% | 0.39 | 44% | 0.442 | S | S | . | . | P | Polyproline II helix | trans | -56.3 | 117.2 | 178.7 | -26.1 | 35.2 | 0 | 0 | 0 | 111.6 | Y233 | Y233-P243 HydrophobicContact CD1-CB 3.82Å; Y233-P243 WeakPolarHBondContact CD1-O 3.44Å; Y233-P243 WeakPolarHBondContact CE1-O 3.39Å; Y233-P243 HydrophobicContact CG-CB 4.28Å |
| 244 | K | 80.4 | Confident | 84.7 | Confident | 135 Ų | 135 | 79.9 Ų | 79.9 | 59% | 0.587 | 45% | 0.454 | S | S | * | . | P | Polyproline II helix | trans | -94.2 | 123.8 | 179 | -167.7 | 169 | -177.4 | 177.1 | 0 | 110.8 | L234 E242 | L234-K244 PolarHBondContact N-O 3.25Å; E242-K244 PolarHBondContact O-N 3.17Å; E242-K244 VanDerWaalsContact O-N 3.1Å |
| 245 | R | 88.3 | Confident | 85.4 | Confident | 47 Ų | 47 | 76.8 Ų | 76.8 | 18% | 0.177 | 44% | 0.438 | C | S | . | . | P | Polyproline II helix | trans | -69.5 | 133 | 167.1 | -179.1 | 176.1 | -74.2 | 138.7 | 1.9 | 109.4 | F215 L219 L230 P231 Y233 S247 | F215-R245 HydrophobicContact CD2-CB 4.47Å; F215-R245 HydrophobicContact CD2-CG 3.84Å; F215-R245 HydrophobicContact CE2-CG 3.83Å; L219-R245 PolarHBondContact O-NH1 2.77Å; L219-R245 VanDerWaalsContact O-NH1 3.14Å; L230-R245 VanDerWaalsContact CD1-NH1 3.33Å; P231-R245 HydrophobicContact CB-CG 4.2Å; P231-R245 VanDerWaalsContact O-CD 3.29Å; P231-R245 WeakPolarHBondContact O-CD 3.47Å; P231-R245 VanDerWaalsContact O-CG 3.3Å; P231-R245 WeakPolarHBondContact O-CG 3.43Å; P231-R245 PolarHBondContact O-NE 2.84Å; Y233-R245 HydrophobicContact CD1-CB 4.15Å; Y233-R245 HydrophobicContact CE1-CB 4.14Å; Y233-R245 VanDerWaalsContact CE2-NH2 3.28Å; R245-S247 PolarHBondContact O-N 3.26Å |
| 246 | P | 90.3 | Very high | 86.3 | Confident | 35 Ų | 35 | 72.3 Ų | 72.3 | 23% | 0.227 | 41% | 0.408 | C | S | . | . | P | Polyproline II helix | trans | -72.8 | 116.9 | 176.3 | 28.9 | -29.8 | 0 | 0 | 0 | 109.6 | F215 P231 G232 L234 R248 | F215-P246 WeakPolarHBondContact CE2-O 3.32Å; P231-P246 HydrophobicContact CB-CG 3.99Å; G232-P246 WeakPolarHBondContact O-CD 3.35Å; L234-P246 HydrophobicContact CD1-CB 4.35Å; L234-P246 HydrophobicContact CG-CG 4.32Å; P246-R248 PolarHBondContact O-N 3.1Å |
| 247 | S | 94.2 | Very high | 87.3 | Confident | 33 Ų | 33 | 73.6 Ų | 73.6 | 23% | 0.231 | 40% | 0.403 | C | S | . | . | P | Polyproline II helix | trans | -62.3 | 125.5 | 174.3 | -50.9 | 0 | 0 | 0 | 0 | 110.6 | D213 H214 F215 R245 | D213-S247 WeakPolarHBondContact O-CB 3.39Å; H214-S247 WeakPolarHBondContact CA-OG 3.39Å; F215-S247 PolarHBondContact N-OG 3.42Å; F215-S247 VanDerWaalsContact N-OG 3.15Å; R245-S247 PolarHBondContact O-N 3.26Å |
| 248 | R | 93.9 | Very high | 88.3 | Confident | 94 Ų | 94 | 70.3 Ų | 70.3 | 36% | 0.355 | 38% | 0.38 | S | S | . | . | trans | -151.9 | 157.9 | -179 | -70.6 | -167.5 | 173.9 | -155.3 | -4.7 | 110.1 | F215 P231 P246 | F215-R248 WeakPolarHBondContact CE1-O 3.43Å; F215-R248 WeakPolarHBondContact CZ-O 3.35Å; P231-R248 HydrophobicContact CG-CB 4.42Å; P246-R248 PolarHBondContact O-N 3.1Å | ||
| 249 | P | 96.6 | Very high | 89.1 | Confident | 35 Ų | 35 | 64.7 Ų | 64.7 | 23% | 0.227 | 36% | 0.36 | C | S | . | . | trans | -55 | 145.1 | 163.5 | 27.8 | -39.1 | 0 | 0 | 0 | 110.9 | L141 Q199 R201 | L141-P249 HydrophobicContact CD1-CB 3.91Å; L141-P249 HydrophobicContact CD1-CG 3.7Å; Q199-P249 VanDerWaalsContact CD-CB 3.46Å; Q199-P249 HydrophobicContact CG-CB 3.72Å; R201-P249 HydrophobicContact CG-CB 4.14Å | ||
| 250 | I | 96.8 | Very high | 90.2 | Very high | 8 Ų | 8 | 60 Ų | 60 | 4% | 0.041 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 116 | -179 | -54.7 | 157.2 | 0 | 0 | 0 | 108 | Q199 L200 F202 F215 C228 L230 I252 | Q199-I250 WeakPolarHBondContact CA-O 3.49Å; L200-I250 HydrophobicContact CB-CB 4.27Å; L200-I250 HydrophobicContact CD2-CD1 4.13Å; L200-I250 HydrophobicContact CG-CD1 4.24Å; L200-I250 PolarHBondContact N-O 2.94Å; L200-I250 PolarHBondContact O-N 3.48Å; F202-I250 HydrophobicContact CD2-CD1 4.08Å; F202-I250 HydrophobicContact CE2-CD1 3.83Å; F215-I250 HydrophobicContact CE1-CD1 3.73Å; F215-I250 HydrophobicContact CE1-CG1 4.05Å; F215-I250 HydrophobicContact CZ-CD1 4.06Å; F215-I250 HydrophobicContact CZ-CG1 4.03Å; C228-I250 VanDerWaalsContact SG-CG2 3.56Å; L230-I250 HydrophobicContact CD2-CD1 3.44Å; L230-I250 VanDerWaalsContact CD2-CD1 3.44Å; L230-I250 HydrophobicContact CD2-CG1 4.1Å; I250-I252 HydrophobicContact CB-CG2 4.48Å; I250-I252 HydrophobicContact CG2-CG2 3.8Å; I250-I252 PolarHBondContact O-N 2.84Å |
| 251 | N | 96.5 | Very high | 91.2 | Very high | 64 Ų | 64 | 61.3 Ų | 61.3 | 34% | 0.342 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 115.7 | 169.1 | 178.7 | -0.1 | 0 | 0 | 0 | 108.5 | Q197 T253 | Q197-N251 VanDerWaalsContact CD-ND2 3.27Å; Q197-N251 PolarHBondContact NE2-ND2 3.11Å; Q197-N251 PolarHBondContact OE1-ND2 3.41Å; N251-T253 VanDerWaalsContact OD1-CB 3.25Å; N251-T253 WeakPolarHBondContact OD1-CB 3.19Å; N251-T253 PolarHBondContact OD1-N 2.9Å; N251-T253 PolarHBondContact OD1-OG1 2.97Å |
| 252 | I | 97.4 | Very high | 92.3 | Very high | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 33% | 0.325 | C | S | . | . | trans | -108 | 4.9 | 179.3 | 62.8 | 165.7 | 0 | 0 | 0 | 113.2 | V198 L200 V223 I250 S254 L255 V256 I266 | V198-I252 HydrophobicContact CB-CG1 4.07Å; V198-I252 HydrophobicContact CG1-CD1 3.83Å; V198-I252 HydrophobicContact CG1-CG1 3.68Å; V198-I252 WeakPolarHBondContact O-CG1 3.36Å; V198-I252 PolarHBondContact O-N 2.81Å; L200-I252 HydrophobicContact CB-CD1 4.21Å; L200-I252 HydrophobicContact CB-CG1 4.41Å; L200-I252 HydrophobicContact CB-CG2 3.93Å; L200-I252 HydrophobicContact CD2-CG2 4.22Å; V223-I252 HydrophobicContact CG1-CD1 4.42Å; V223-I252 HydrophobicContact CG2-CB 4.21Å; V223-I252 HydrophobicContact CG2-CD1 4.12Å; V223-I252 HydrophobicContact CG2-CG2 4.14Å; I250-I252 HydrophobicContact CB-CG2 4.48Å; I250-I252 HydrophobicContact CG2-CG2 3.8Å; I250-I252 PolarHBondContact O-N 2.84Å; I252-S254 VanDerWaalsContact C-N 3.28Å; I252-S254 PolarHBondContact O-N 2.9Å; I252-S254 VanDerWaalsContact O-N 3.15Å; I252-L255 PolarHBondContact O-N 2.81Å; I252-V256 HydrophobicContact CD1-CG2 4.17Å; I252-V256 HydrophobicContact CG1-CG2 4.11Å; I252-V256 WeakPolarHBondContact O-CG2 3.4Å; I252-V256 PolarHBondContact O-N 2.93Å; I252-I266 HydrophobicContact CD1-CD1 3.79Å | ||
| 253 | T | 96.6 | Very high | 93.6 | Very high | 6 Ų | 6 | 57 Ų | 57 | 4% | 0.037 | 31% | 0.313 | C | S | . | . | G | 310 helix | trans | -53.1 | -40.3 | -171.4 | -46.9 | 0 | 0 | 0 | 0 | 113.2 | I181 F194 Q197 V198 N251 L255 V256 | I181-T253 HydrophobicContact CG2-CG2 3.75Å; F194-T253 HydrophobicContact CB-CG2 4.46Å; F194-T253 HydrophobicContact CD2-CG2 3.98Å; F194-T253 HydrophobicContact CG-CG2 4.39Å; Q197-T253 VanDerWaalsContact CA-OG1 3.27Å; Q197-T253 WeakPolarHBondContact CA-OG1 3.3Å; Q197-T253 WeakPolarHBondContact CB-OG1 3.43Å; V198-T253 PolarHBondContact N-OG1 3.46Å; N251-T253 VanDerWaalsContact OD1-CB 3.25Å; N251-T253 WeakPolarHBondContact OD1-CB 3.19Å; N251-T253 PolarHBondContact OD1-N 2.9Å; N251-T253 PolarHBondContact OD1-OG1 2.97Å; T253-L255 PolarHBondContact O-N 3.18Å; T253-V256 PolarHBondContact O-N 3.34Å; T253-V256 VanDerWaalsContact O-N 3.17Å |
| 254 | S | 95.1 | Very high | 94.8 | Very high | 104 Ų | 104 | 54.1 Ų | 54.1 | 73% | 0.727 | 30% | 0.295 | S | S | * | . | G | 310 helix | trans | -69.2 | -11.8 | 178.9 | 56.5 | 0 | 0 | 0 | 0 | 115 | I252 | I252-S254 VanDerWaalsContact C-N 3.28Å; I252-S254 PolarHBondContact O-N 2.9Å; I252-S254 VanDerWaalsContact O-N 3.15Å |
| 255 | L | 96.9 | Very high | 95.7 | Very high | 36 Ų | 36 | 49.7 Ų | 49.7 | 19% | 0.188 | 28% | 0.279 | C | S | . | . | G | 310 helix | trans | -104.9 | -9.6 | 175.6 | -53.9 | 177.5 | 0 | 0 | 0 | 112.4 | V223 N224 K226 C228 I252 T253 | V223-L255 HydrophobicContact CB-CB 3.73Å; V223-L255 HydrophobicContact CB-CD1 4.06Å; V223-L255 HydrophobicContact CG1-CB 3.79Å; V223-L255 HydrophobicContact CG2-CD1 4.31Å; N224-L255 PolarHBondContact ND2-O 3.28Å; K226-L255 HydrophobicContact CB-CD2 4.07Å; K226-L255 HydrophobicContact CD-CD2 4.18Å; C228-L255 HydrophobicContact CB-CD1 3.87Å; I252-L255 PolarHBondContact O-N 2.81Å; T253-L255 PolarHBondContact O-N 3.18Å |
| 256 | V | 97.4 | Very high | 96.2 | Very high | 13 Ų | 13 | 47.4 Ų | 47.4 | 8% | 0.079 | 27% | 0.271 | C | S | . | . | S | Bend | trans | -81.4 | 134.6 | -179.7 | 168.7 | 0 | 0 | 0 | 0 | 110.2 | F171 L173 V198 V223 I252 T253 L258 N264 | F171-V256 HydrophobicContact CZ-CG1 4.43Å; F171-V256 HydrophobicContact CZ-CG2 3.98Å; L173-V256 HydrophobicContact CD1-CG1 3.82Å; V198-V256 HydrophobicContact CB-CG2 4.11Å; V198-V256 HydrophobicContact CG1-CG2 4.14Å; V198-V256 HydrophobicContact CG2-CG1 4.3Å; V198-V256 HydrophobicContact CG2-CG2 4.24Å; V223-V256 HydrophobicContact CG1-CG2 4.38Å; I252-V256 HydrophobicContact CD1-CG2 4.17Å; I252-V256 HydrophobicContact CG1-CG2 4.11Å; I252-V256 WeakPolarHBondContact O-CG2 3.4Å; I252-V256 PolarHBondContact O-N 2.93Å; T253-V256 PolarHBondContact O-N 3.34Å; T253-V256 VanDerWaalsContact O-N 3.17Å; V256-L258 HydrophobicContact CG1-CD2 4.11Å; V256-L258 PolarHBondContact O-N 3.33Å; V256-N264 WeakPolarHBondContact CA-OD1 3.2Å; V256-N264 WeakPolarHBondContact CG1-OD1 3.46Å |
| 257 | R | 97.3 | Very high | 96.5 | Very high | 108 Ų | 108 | 47.1 Ų | 47.1 | 41% | 0.408 | 27% | 0.268 | S | S | . | . | trans | -73.5 | 110.7 | 166.6 | -64.5 | 168.2 | -177.3 | 148.6 | -2.1 | 107.6 | N224 S259 P263 N264 | N224-R257 PolarHBondContact OD1-NH1 3.2Å; R257-S259 PolarHBondContact O-N 2.97Å; R257-P263 PolarHBondContact NH1-O 3.46Å; R257-N264 PolarHBondContact N-OD1 3.33Å; R257-N264 PolarHBondContact O-ND2 3.02Å | ||
| 258 | L | 96.1 | Very high | 96.7 | Very high | 59 Ų | 59 | 45.6 Ų | 45.6 | 31% | 0.309 | 26% | 0.257 | S | S | . | . | trans | -76.9 | 61.8 | 172.3 | -58.4 | -176.8 | 0 | 0 | 0 | 110.2 | L173 V178 I181 V256 | L173-L258 HydrophobicContact CD1-CD2 4.08Å; V178-L258 HydrophobicContact CG1-CB 4.3Å; I181-L258 HydrophobicContact CB-CD2 4.13Å; I181-L258 HydrophobicContact CD1-CD2 3.74Å; I181-L258 HydrophobicContact CG2-CD1 3.9Å; I181-L258 HydrophobicContact CG2-CD2 3.74Å; V256-L258 HydrophobicContact CG1-CD2 4.11Å; V256-L258 PolarHBondContact O-N 3.33Å | ||
| 259 | S | 95.5 | Very high | 96.7 | Very high | 36 Ų | 36 | 41.2 Ų | 41.2 | 25% | 0.252 | 24% | 0.241 | S | C | . | . | trans | -134.2 | 147 | -179.9 | 179.5 | 0 | 0 | 0 | 0 | 110.5 | R257 T261 | R257-S259 PolarHBondContact O-N 2.97Å; S259-T261 PolarHBondContact OG-N 3.32Å; S259-T261 VanDerWaalsContact OG-N 3.13Å; S259-T261 PolarHBondContact OG-OG1 3.36Å | ||
| 260 | T | 95.7 | Very high | 96.6 | Very high | 74 Ų | 74 | 39.9 Ų | 39.9 | 45% | 0.454 | 23% | 0.232 | S | C | . | . | S | Bend | trans | -92.3 | -14.3 | 173.8 | 56.3 | 0 | 0 | 0 | 0 | 112.6 | P175 V178 | P175-T260 HydrophobicContact CB-CG2 4.17Å; P175-T260 HydrophobicContact CG-CG2 3.9Å; V178-T260 HydrophobicContact CG2-CG2 3.99Å |
| 261 | T | 95.8 | Very high | 96.4 | Very high | 118 Ų | 118 | 41.1 Ų | 41.1 | 72% | 0.724 | 24% | 0.239 | S | C | * | . | S | Bend | trans | -93.8 | -12.5 | -174.9 | 59.2 | 0 | 0 | 0 | 0 | 114 | S259 | S259-T261 PolarHBondContact OG-N 3.32Å; S259-T261 VanDerWaalsContact OG-N 3.13Å; S259-T261 PolarHBondContact OG-OG1 3.36Å |
| 262 | V | 95.3 | Very high | 96.1 | Very high | 62 Ų | 62 | 39.4 Ų | 39.4 | 38% | 0.376 | 23% | 0.234 | S | C | . | . | S | Bend | trans | -136.2 | 127.8 | -175.9 | -177.9 | 0 | 0 | 0 | 0 | 109.7 | ||
| 263 | P | 97.1 | Very high | 95.6 | Very high | 69 Ų | 69 | 42.9 Ų | 42.9 | 45% | 0.448 | 25% | 0.251 | S | S | . | . | trans | -68.2 | 154.4 | 176.5 | 29.2 | -35 | 0 | 0 | 0 | 112.1 | R257 | R257-P263 PolarHBondContact NH1-O 3.46Š| ||
| 264 | N | 98.6 | Very high | 95 | Very high | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 135.1 | 168.9 | -76.4 | -81.6 | 0 | 0 | 0 | 109.6 | A170 F171 N224 V256 R257 | A170-N264 CarbonylContact C-O 3.57Å; A170-N264 VanDerWaalsContact CA-O 3.24Å; A170-N264 WeakPolarHBondContact CA-O 3.14Å; F171-N264 HydrophobicContact CD1-CB 3.9Å; F171-N264 HydrophobicContact CD2-CB 4.25Å; F171-N264 HydrophobicContact CE1-CB 3.45Å; F171-N264 VanDerWaalsContact CE1-CB 3.45Å; F171-N264 HydrophobicContact CE2-CB 3.85Å; F171-N264 HydrophobicContact CG-CB 4.28Å; F171-N264 HydrophobicContact CZ-CB 3.44Å; F171-N264 VanDerWaalsContact CZ-CB 3.44Å; F171-N264 PolarHBondContact N-O 3.2Å; F171-N264 PolarHBondContact O-N 2.88Å; N224-N264 PolarHBondContact ND2-OD1 2.8Å; N224-N264 WeakPolarHBondContact OD1-CA 3.35Å; V256-N264 WeakPolarHBondContact CA-OD1 3.2Å; V256-N264 WeakPolarHBondContact CG1-OD1 3.46Å; R257-N264 PolarHBondContact N-OD1 3.33Å; R257-N264 PolarHBondContact O-ND2 3.02Å |
| 265 | T | 98.3 | Very high | 94.5 | Very high | 42 Ų | 42 | 49.5 Ų | 49.5 | 26% | 0.258 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 141.9 | 176.1 | 59.4 | 0 | 0 | 0 | 0 | 111.3 | F169 A170 V223 N224 | F169-T265 CarbonylContact O-C 3.57Å; F169-T265 WeakPolarHBondContact O-CA 3.26Å; A170-T265 HydrophobicContact CB-CG2 4.49Å; V223-T265 CarbonylContact C-O 3.51Å; V223-T265 WeakPolarHBondContact CA-O 3.39Å; N224-T265 PolarHBondContact N-O 2.94Å; N224-T265 PolarHBondContact OD1-N 2.93Å |
| 266 | I | 98.4 | Very high | 94.1 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 119 | 172.5 | -48 | 177.6 | 0 | 0 | 0 | 108.6 | C168 F169 F171 V221 K222 V223 I252 V268 M280 V282 | C168-I266 WeakPolarHBondContact CA-O 3.41Å; F169-I266 PolarHBondContact N-O 3.22Å; F169-I266 PolarHBondContact O-N 3.44Å; F171-I266 HydrophobicContact CD1-CD1 4.33Å; F171-I266 HydrophobicContact CE1-CD1 3.89Å; F171-I266 HydrophobicContact CE1-CG1 4.08Å; V221-I266 HydrophobicContact CG1-CG2 3.76Å; K222-I266 CarbonylContact O-C 3.45Å; K222-I266 WeakPolarHBondContact O-CA 3.47Å; V223-I266 HydrophobicContact CG2-CG1 4.29Å; V223-I266 HydrophobicContact CG2-CG2 4.2Å; I252-I266 HydrophobicContact CD1-CD1 3.79Å; I266-V268 HydrophobicContact CG2-CG2 4Å; I266-M280 HydrophobicContact CB-CE 3.9Å; I266-M280 HydrophobicContact CD1-CE 3.75Å; I266-M280 HydrophobicContact CG1-CE 4.44Å; I266-M280 HydrophobicContact CG2-CE 3.54Å; I266-V282 HydrophobicContact CD1-CG2 3.67Å |
| 267 | V | 97.5 | Very high | 93.8 | Very high | 29 Ų | 29 | 57.2 Ų | 57.2 | 18% | 0.176 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 123.8 | 170.2 | -177.5 | 0 | 0 | 0 | 0 | 107.9 | E166 C168 V221 K222 | E166-V267 HydrophobicContact CG-CG1 3.43Å; E166-V267 VanDerWaalsContact CG-CG1 3.43Å; C168-V267 HydrophobicContact CB-CG2 4.44Å; V221-V267 CarbonylContact C-O 3.45Å; V221-V267 WeakPolarHBondContact CA-O 3.43Å; K222-V267 HydrophobicContact CB-CB 4.35Å; K222-V267 PolarHBondContact N-O 2.9Å; K222-V267 PolarHBondContact O-N 3.35Å |
| 268 | V | 97.2 | Very high | 93.7 | Very high | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 125.4 | 178 | -178.8 | 0 | 0 | 0 | 0 | 108.5 | L156 E166 T167 F169 F202 L219 I266 W270 M280 | L156-V268 HydrophobicContact CD1-CG1 4.22Å; L156-V268 HydrophobicContact CD2-CG1 4.32Å; E166-V268 CarbonylContact C-O 3.57Å; E166-V268 VanDerWaalsContact CA-O 3.3Å; E166-V268 WeakPolarHBondContact CA-O 3.36Å; T167-V268 PolarHBondContact N-O 2.93Å; T167-V268 PolarHBondContact O-N 2.91Å; F169-V268 HydrophobicContact CD2-CG2 4.32Å; F169-V268 HydrophobicContact CE2-CG2 4.39Å; F202-V268 HydrophobicContact CE1-CG1 3.78Å; F202-V268 HydrophobicContact CE1-CG2 4.11Å; F202-V268 HydrophobicContact CZ-CG1 3.92Å; F202-V268 HydrophobicContact CZ-CG2 3.92Å; L219-V268 HydrophobicContact CD1-CG1 3.68Å; I266-V268 HydrophobicContact CG2-CG2 4Å; V268-W270 HydrophobicContact CG1-CE3 4.09Å; V268-M280 HydrophobicContact CG2-CE 3.53Å; V268-M280 HydrophobicContact CG2-SD 3.62Å |
| 269 | S | 95.2 | Very high | 93.6 | Very high | 3 Ų | 3 | 49.4 Ų | 49.4 | 2% | 0.021 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 137.1 | 176.8 | -17.6 | 0 | 0 | 0 | 0 | 110.2 | R165 E166 L219 C220 | R165-S269 CarbonylContact O-C 3.55Å; R165-S269 WeakPolarHBondContact O-CA 3.39Å; R165-S269 WeakPolarHBondContact O-CB 3.47Å; E166-S269 WeakPolarHBondContact OE2-CB 3.32Å; E166-S269 PolarHBondContact OE2-OG 3.24Å; L219-S269 WeakPolarHBondContact CA-O 3.48Å; C220-S269 PolarHBondContact N-O 3.13Å; C220-S269 PolarHBondContact O-N 3.15Å |
| 270 | W | 94.8 | Very high | 93.7 | Very high | 7 Ų | 7 | 47.7 Ų | 47.7 | 3% | 0.027 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155 | 172.5 | -175.5 | 74 | 103.8 | 0 | 0 | 0 | 112.5 | L156 F164 R165 T167 P216 V268 | L156-W270 HydrophobicContact CB-CH2 3.7Å; L156-W270 HydrophobicContact CB-CZ2 3.61Å; L156-W270 HydrophobicContact CB-CZ3 4.25Å; L156-W270 HydrophobicContact CD1-CD2 4.29Å; L156-W270 HydrophobicContact CD1-CE3 4.33Å; L156-W270 HydrophobicContact CD2-CZ3 4.46Å; F164-W270 CarbonylContact C-O 3.58Å; F164-W270 WeakPolarHBondContact CA-O 3.48Å; R165-W270 HydrophobicContact CB-CD2 3.79Å; R165-W270 HydrophobicContact CB-CE3 3.9Å; R165-W270 HydrophobicContact CB-CH2 3.6Å; R165-W270 HydrophobicContact CB-CZ2 3.48Å; R165-W270 VanDerWaalsContact CB-CZ2 3.48Å; R165-W270 HydrophobicContact CB-CZ3 3.81Å; R165-W270 HydrophobicContact CG-CH2 4.44Å; R165-W270 HydrophobicContact CG-CZ2 3.95Å; R165-W270 PolarHBondContact N-O 3.29Å; R165-W270 PolarHBondContact O-N 2.76Å; T167-W270 VanDerWaalsContact OG1-CH2 3.27Å; T167-W270 WeakPolarHBondContact OG1-CH2 3.31Å; T167-W270 WeakPolarHBondContact OG1-CZ3 3.28Å; P216-W270 HydrophobicContact CB-CB 3.6Å; P216-W270 HydrophobicContact CB-CG 3.81Å; P216-W270 HydrophobicContact CG-CB 4.36Å; P216-W270 HydrophobicContact CG-CG 4.38Å; V268-W270 HydrophobicContact CG1-CE3 4.09Å |
| 271 | T | 92 | Very high | 93.8 | Very high | 33 Ų | 33 | 44.2 Ų | 44.2 | 20% | 0.202 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 125.7 | 168.5 | -57.7 | 0 | 0 | 0 | 0 | 110.5 | R163 P217 N218 | R163-T271 WeakPolarHBondContact O-CA 3.42Å; P217-T271 PolarHBondContact O-N 2.97Å; N218-T271 WeakPolarHBondContact CB-OG1 3.4Å; N218-T271 PolarHBondContact ND2-OG1 3.44Å |
| 272 | A | 89.6 | Confident | 93.9 | Very high | 29 Ų | 29 | 38.6 Ų | 38.6 | 24% | 0.24 | 22% | 0.221 | C | C | . | . | trans | -72.3 | 137.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | R163 R165 | R163-A272 PolarHBondContact O-N 3.34Å; R165-A272 HydrophobicContact CG-CB 4.12Å | ||
| 273 | E | 86.5 | Confident | 94.1 | Very high | 72 Ų | 72 | 36.1 Ų | 36.1 | 34% | 0.336 | 21% | 0.205 | S | C | . | . | B | Isolated β-bridge | trans | -111.4 | 133.5 | 175.5 | -87.6 | -177.5 | -174.9 | 0 | 0 | 111.4 | P217 G275 R276 Y278 | P217-E273 HydrophobicContact CG-CG 3.87Å; P217-E273 WeakPolarHBondContact CG-OE1 3.5Å; E273-G275 PolarHBondContact O-N 2.73Å; E273-G275 VanDerWaalsContact O-N 3.14Å; E273-R276 HydrophobicContact CB-CB 4.2Å; E273-R276 PolarHBondContact O-N 3.36Å; E273-R276 VanDerWaalsContact O-N 3.16Å; E273-R276 IonicContact OE1-NH1 3.19Å; E273-R276 VanDerWaalsContact OE2-CD 3.28Å; E273-R276 WeakPolarHBondContact OE2-CD 3.44Å; E273-R276 IonicContact OE2-CZ 3.73Å; E273-R276 IonicContact OE2-NE 3.65Å; E273-R276 IonicContact OE2-NH1 3.49Å; E273-R276 PolarHBondContact OE2-NH1 2.91Å; E273-Y278 PolarHBondContact OE2-OH 2.98Å |
| 274 | I | 84.6 | Confident | 94.1 | Very high | 186 Ų | 186 | 32.9 Ų | 32.9 | 95% | 0.954 | 18% | 0.184 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | 119.1 | 179 | -59.1 | 174.1 | 0 | 0 | 0 | 109.5 | ||
| 275 | G | 84.8 | Confident | 94.1 | Very high | 63 Ų | 63 | 33.1 Ų | 33.1 | 65% | 0.649 | 19% | 0.185 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 85.4 | 4.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | E273 | E273-G275 PolarHBondContact O-N 2.73Å; E273-G275 VanDerWaalsContact O-N 3.14Å |
| 276 | R | 88.3 | Confident | 94.1 | Very high | 123 Ų | 123 | 35.7 Ų | 35.7 | 46% | 0.464 | 19% | 0.193 | S | C | . | . | B | Isolated β-bridge | trans | -121.6 | 122.9 | 169.1 | -64.1 | -163.7 | -174.5 | 135.4 | -4.4 | 110.9 | E273 Y278 | E273-R276 HydrophobicContact CB-CB 4.2Å; E273-R276 PolarHBondContact O-N 3.36Å; E273-R276 VanDerWaalsContact O-N 3.16Å; E273-R276 IonicContact OE1-NH1 3.19Å; E273-R276 VanDerWaalsContact OE2-CD 3.28Å; E273-R276 WeakPolarHBondContact OE2-CD 3.44Å; E273-R276 IonicContact OE2-CZ 3.73Å; E273-R276 IonicContact OE2-NE 3.65Å; E273-R276 IonicContact OE2-NH1 3.49Å; E273-R276 PolarHBondContact OE2-NH1 2.91Å; R276-Y278 HydrophobicContact CB-CE2 3.95Å |
| 277 | N | 91.3 | Very high | 94 | Very high | 88 Ų | 88 | 39.3 Ų | 39.3 | 47% | 0.471 | 21% | 0.21 | S | C | . | . | trans | -104.1 | 149.8 | 168.8 | -63.4 | -60.6 | 0 | 0 | 0 | 108.8 | S205 | S205-N277 PolarHBondContact N-O 3.5Å; S205-N277 VanDerWaalsContact OG-C 3.3Å; S205-N277 PolarHBondContact OG-O 3.31Å | ||
| 278 | Y | 94.6 | Very high | 93.9 | Very high | 4 Ų | 4 | 38.4 Ų | 38.4 | 2% | 0.016 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 149.1 | -177.6 | -62.9 | -89.9 | 0 | 0 | 0 | 110 | L156 C203 L204 S205 H214 P216 E273 R276 | L156-Y278 WeakPolarHBondContact CB-O 3.32Å; L156-Y278 PolarHBondContact N-O 3.38Å; C203-Y278 CarbonylContact O-C 3.55Å; C203-Y278 VanDerWaalsContact O-CA 3.31Å; C203-Y278 WeakPolarHBondContact O-CA 3.06Å; L204-Y278 HydrophobicContact CD2-CD1 3.94Å; L204-Y278 HydrophobicContact CD2-CE1 3.53Å; S205-Y278 WeakPolarHBondContact OG-CA 3.49Å; S205-Y278 PolarHBondContact OG-N 2.96Å; S205-Y278 PolarHBondContact OG-O 2.7Å; H214-Y278 AromaticContact ND1-CE1 3.87Å; P216-Y278 HydrophobicContact CB-CD1 4.23Å; P216-Y278 HydrophobicContact CB-CD2 4.24Å; P216-Y278 HydrophobicContact CB-CE1 4.43Å; P216-Y278 HydrophobicContact CB-CE2 4.45Å; P216-Y278 HydrophobicContact CB-CG 4.14Å; P216-Y278 HydrophobicContact CG-CD1 3.86Å; P216-Y278 HydrophobicContact CG-CD2 4.31Å; P216-Y278 HydrophobicContact CG-CE1 4.49Å; P216-Y278 HydrophobicContact CG-CG 3.76Å; E273-Y278 PolarHBondContact OE2-OH 2.98Å; R276-Y278 HydrophobicContact CB-CE2 3.95Å |
| 279 | S | 95.5 | Very high | 93.9 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 152.5 | 176.5 | -68.1 | 0 | 0 | 0 | 0 | 111.2 | I136 T154 F202 C203 S205 | I136-S279 WeakPolarHBondContact CD1-OG 3.31Å; T154-S279 CarbonylContact O-C 3.27Å; T154-S279 WeakPolarHBondContact O-CA 3.45Å; T154-S279 WeakPolarHBondContact O-CB 3.42Å; F202-S279 CarbonylContact C-O 3.59Å; F202-S279 VanDerWaalsContact CA-O 3.32Å; F202-S279 WeakPolarHBondContact CA-O 3.18Å; C203-S279 PolarHBondContact N-O 3.35Å; C203-S279 PolarHBondContact O-N 3.09Å; S205-S279 PolarHBondContact OG-N 3.34Å; S205-S279 PolarHBondContact OG-OG 2.96Å |
| 280 | M | 96.8 | Very high | 94 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 142.9 | -177.8 | 178.6 | -172.6 | -173.7 | 0 | 0 | 109.1 | P153 T154 L156 F169 L200 R201 F202 I266 V268 V282 | P153-M280 WeakPolarHBondContact CA-O 3.44Å; T154-M280 PolarHBondContact N-O 3.46Å; T154-M280 PolarHBondContact O-N 2.9Å; L156-M280 HydrophobicContact CD2-CB 3.85Å; L156-M280 HydrophobicContact CD2-SD 4.24Å; L156-M280 HydrophobicContact CG-CB 4.37Å; F169-M280 HydrophobicContact CD1-SD 4.36Å; F169-M280 HydrophobicContact CD2-CE 3.99Å; F169-M280 HydrophobicContact CD2-SD 3.32Å; F169-M280 WeakPolarHBondContact CD2-SD 3.39Å; F169-M280 HydrophobicContact CE1-SD 4.44Å; F169-M280 HydrophobicContact CE2-SD 3.41Å; F169-M280 WeakPolarHBondContact CE2-SD 3.3Å; F169-M280 HydrophobicContact CG-CE 4.37Å; F169-M280 HydrophobicContact CG-SD 3.84Å; F169-M280 HydrophobicContact CZ-SD 4.01Å; L200-M280 HydrophobicContact CD1-CE 3.38Å; L200-M280 HydrophobicContact CD1-CG 3.71Å; L200-M280 HydrophobicContact CD1-SD 4.35Å; L200-M280 HydrophobicContact CD2-CE 4.45Å; R201-M280 WeakPolarHBondContact O-CA 3.07Å; F202-M280 HydrophobicContact CD1-CB 4.02Å; F202-M280 HydrophobicContact CD1-CG 4.22Å; F202-M280 HydrophobicContact CE1-CB 3.9Å; F202-M280 HydrophobicContact CE1-CG 3.74Å; F202-M280 HydrophobicContact CE1-SD 4.18Å; F202-M280 HydrophobicContact CZ-CG 4.32Å; I266-M280 HydrophobicContact CB-CE 3.9Å; I266-M280 HydrophobicContact CD1-CE 3.75Å; I266-M280 HydrophobicContact CG1-CE 4.44Å; I266-M280 HydrophobicContact CG2-CE 3.54Å; V268-M280 HydrophobicContact CG2-CE 3.53Å; V268-M280 HydrophobicContact CG2-SD 3.62Å; M280-V282 HydrophobicContact CE-CG2 4.37Å |
| 281 | A | 97.5 | Very high | 94.1 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 150.7 | 170.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | L138 I151 P153 R201 Y283 | L138-A281 HydrophobicContact CD1-CB 4.09Å; I151-A281 WeakPolarHBondContact O-CA 3.26Å; P153-A281 HydrophobicContact CG-CB 4.13Å; R201-A281 PolarHBondContact N-O 3.03Å; R201-A281 PolarHBondContact O-N 2.95Å; A281-Y283 HydrophobicContact CB-CD2 4.28Å; A281-Y283 HydrophobicContact CB-CE2 3.45Å; A281-Y283 VanDerWaalsContact CB-CE2 3.45Å |
| 282 | V | 98.3 | Very high | 94.3 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 125.3 | 175.3 | -174.2 | 0 | 0 | 0 | 0 | 108.2 | L150 I151 F171 V198 Q199 L200 I266 M280 | L150-V282 HydrophobicContact CB-CB 4.36Å; L150-V282 HydrophobicContact CB-CG1 4.14Å; L150-V282 HydrophobicContact CD1-CG1 4.25Å; L150-V282 PolarHBondContact N-O 2.94Å; I151-V282 HydrophobicContact CB-CB 3.88Å; I151-V282 HydrophobicContact CB-CG2 3.99Å; I151-V282 HydrophobicContact CD1-CB 4.37Å; I151-V282 HydrophobicContact CD1-CG2 3.84Å; I151-V282 HydrophobicContact CG1-CB 4.01Å; I151-V282 HydrophobicContact CG1-CG2 4.02Å; I151-V282 PolarHBondContact N-O 3.33Å; I151-V282 PolarHBondContact O-N 3.43Å; F171-V282 HydrophobicContact CE1-CG1 4.44Å; V198-V282 HydrophobicContact CG1-CG1 3.59Å; Q199-V282 WeakPolarHBondContact O-CA 3.43Å; L200-V282 HydrophobicContact CD1-CG2 4.08Å; I266-V282 HydrophobicContact CD1-CG2 3.67Å; M280-V282 HydrophobicContact CE-CG2 4.37Å |
| 283 | Y | 98.5 | Very high | 94.8 | Very high | 11 Ų | 11 | 43.9 Ų | 43.9 | 4% | 0.043 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 146.2 | -176.3 | -62 | -72.5 | 0 | 0 | 0 | 110.6 | L138 L146 D148 E149 Q199 R201 A281 | L138-Y283 HydrophobicContact CD1-CE2 4.45Å; L146-Y283 HydrophobicContact CD1-CD1 3.56Å; L146-Y283 HydrophobicContact CD1-CE1 3.7Å; L146-Y283 HydrophobicContact CD1-CG 4.3Å; L146-Y283 HydrophobicContact CG-CD1 4.05Å; D148-Y283 WeakPolarHBondContact O-CA 3.37Å; E149-Y283 HydrophobicContact CB-CD1 4.35Å; E149-Y283 HydrophobicContact CB-CE1 4.31Å; E149-Y283 HydrophobicContact CG-CD1 4.02Å; E149-Y283 HydrophobicContact CG-CE1 3.79Å; Q199-Y283 PolarHBondContact N-O 3.37Å; Q199-Y283 PolarHBondContact O-N 2.96Å; R201-Y283 HydrophobicContact CG-CD2 4.37Å; A281-Y283 HydrophobicContact CB-CD2 4.28Å; A281-Y283 HydrophobicContact CB-CE2 3.45Å; A281-Y283 VanDerWaalsContact CB-CE2 3.45Å |
| 284 | L | 98.6 | Very high | 95.3 | Very high | 1 Ų | 1 | 41.4 Ų | 41.4 | 1% | 0.005 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 125.3 | 157.7 | -173 | 68.1 | 0 | 0 | 0 | 107.3 | L147 D148 L150 Q177 I181 V196 V198 | L147-L284 WeakPolarHBondContact CA-O 3.4Å; L147-L284 HydrophobicContact CB-CB 4.37Å; L147-L284 HydrophobicContact CB-CD2 4.22Å; L147-L284 HydrophobicContact CB-CG 4.15Å; L147-L284 WeakPolarHBondContact CB-O 3.37Å; L147-L284 HydrophobicContact CD1-CD2 4.41Å; L147-L284 HydrophobicContact CD1-CG 4.26Å; L147-L284 PolarHBondContact N-O 2.81Å; D148-L284 HydrophobicContact CB-CB 3.96Å; D148-L284 HydrophobicContact CB-CD2 4.43Å; D148-L284 PolarHBondContact N-O 2.94Å; D148-L284 VanDerWaalsContact N-O 3.17Å; D148-L284 PolarHBondContact O-N 3.47Å; L150-L284 HydrophobicContact CD1-CB 4.29Å; L150-L284 HydrophobicContact CD2-CB 4.43Å; L150-L284 HydrophobicContact CG-CB 4.26Å; Q177-L284 HydrophobicContact CB-CD2 4.02Å; Q177-L284 HydrophobicContact CG-CD2 3.72Å; I181-L284 HydrophobicContact CD1-CD1 3.83Å; I181-L284 HydrophobicContact CG1-CD1 3.82Å; V196-L284 HydrophobicContact CG1-CD1 3.78Å; V196-L284 HydrophobicContact CG1-CG 4.15Å; V198-L284 HydrophobicContact CG2-CD1 4.41Å |
| 285 | V | 98.4 | Very high | 96 | Very high | 4 Ų | 4 | 38.3 Ų | 38.3 | 2% | 0.024 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 154 | -175.2 | -59.3 | 0 | 0 | 0 | 0 | 111.8 | Y144 D145 V196 Q197 Q199 | Y144-V285 HydrophobicContact CD1-CB 4.19Å; Y144-V285 HydrophobicContact CD1-CG2 3.66Å; Y144-V285 HydrophobicContact CE1-CG2 4.31Å; Y144-V285 HydrophobicContact CG-CG2 4.46Å; D145-V285 CarbonylContact O-C 3.57Å; D145-V285 WeakPolarHBondContact O-CA 3.49Å; D145-V285 WeakPolarHBondContact O-CB 3.49Å; V196-V285 CarbonylContact C-O 3.37Å; V196-V285 VanDerWaalsContact CA-O 3.31Å; V196-V285 WeakPolarHBondContact CA-O 3.23Å; Q197-V285 HydrophobicContact CB-CG2 4.03Å; Q197-V285 PolarHBondContact N-O 3.05Å; Q197-V285 PolarHBondContact O-N 3.06Å; Q199-V285 HydrophobicContact CB-CG1 4.16Å; Q199-V285 HydrophobicContact CB-CG2 3.73Å |
| 286 | K | 97.6 | Very high | 96.6 | Very high | 96 Ų | 96 | 40 Ų | 40 | 42% | 0.417 | 20% | 0.195 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 117.2 | 165 | -175 | 175.5 | -178.7 | 174.5 | 0 | 109.5 | Y144 D145 L147 T195 V196 L288 | Y144-K286 WeakPolarHBondContact CA-O 3.41Å; D145-K286 HydrophobicContact CB-CB 4.34Å; D145-K286 PolarHBondContact N-O 3.18Å; D145-K286 PolarHBondContact O-N 3.37Å; L147-K286 HydrophobicContact CD1-CB 4.21Å; L147-K286 HydrophobicContact CD2-CB 4.28Å; L147-K286 HydrophobicContact CG-CB 4.34Å; T195-K286 CarbonylContact O-C 3.5Å; T195-K286 WeakPolarHBondContact O-CA 3.18Å; V196-K286 HydrophobicContact CG2-CB 4.35Å; V196-K286 HydrophobicContact CG2-CG 4.28Å; K286-L288 HydrophobicContact CG-CD2 4.39Å |
| 287 | Q | 96.5 | Very high | 97.1 | Very high | 76 Ų | 76 | 34.2 Ų | 34.2 | 36% | 0.355 | 17% | 0.173 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 137 | 171.1 | -172.6 | 174 | -11.7 | 0 | 0 | 109.8 | F143 Y144 T195 | F143-Q287 CarbonylContact O-C 3.59Å; F143-Q287 WeakPolarHBondContact O-CA 3.42Å; Y144-Q287 HydrophobicContact CD1-CB 4.08Å; Y144-Q287 HydrophobicContact CD1-CG 4.4Å; Y144-Q287 HydrophobicContact CE1-CB 3.83Å; Y144-Q287 HydrophobicContact CE1-CG 3.88Å; T195-Q287 PolarHBondContact O-N 3.04Å |
| 288 | L | 95.9 | Very high | 97.4 | Very high | 10 Ų | 10 | 36.6 Ų | 36.6 | 5% | 0.052 | 18% | 0.175 | C | C | . | . | trans | -111.5 | 151.2 | -179.5 | -51.4 | -179.5 | 0 | 0 | 0 | 109.9 | F143 K286 V292 | F143-L288 WeakPolarHBondContact CD1-O 3.33Å; F143-L288 PolarHBondContact O-N 2.79Å; K286-L288 HydrophobicContact CG-CD2 4.39Å; L288-V292 HydrophobicContact CB-CB 4.44Å; L288-V292 HydrophobicContact CB-CG1 4.43Å; L288-V292 HydrophobicContact CD1-CG1 4.47Å; L288-V292 HydrophobicContact CD2-CG1 4.28Å | ||
| 289 | S | 95.6 | Very high | 97.6 | Very high | 47 Ų | 47 | 40.5 Ų | 40.5 | 33% | 0.329 | 21% | 0.209 | S | C | . | . | trans | -89.9 | 163.8 | 171.4 | 65.8 | 0 | 0 | 0 | 0 | 112.3 | T291 V292 L293 E367 | S289-T291 PolarHBondContact O-N 3.27Å; S289-V292 PolarHBondContact O-N 2.87Å; S289-V292 VanDerWaalsContact O-N 3.11Å; S289-L293 PolarHBondContact O-N 3.27Å; S289-L293 VanDerWaalsContact O-N 3.13Å; S289-E367 WeakPolarHBondContact CA-OE1 3.45Å | ||
| 290 | S | 97.3 | Very high | 97.6 | Very high | 12 Ų | 12 | 45.4 Ų | 45.4 | 8% | 0.084 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -53.2 | -37 | 171 | 47.5 | 0 | 0 | 0 | 0 | 112.9 | L293 L294 E367 | S290-L293 PolarHBondContact O-N 3.07Å; S290-L294 WeakPolarHBondContact O-CB 3.45Å; S290-L294 PolarHBondContact O-N 2.79Å; S290-E367 WeakPolarHBondContact CB-OE2 3.31Å; S290-E367 PolarHBondContact N-OE1 2.94Å; S290-E367 PolarHBondContact N-OE2 3.08Å; S290-E367 PolarHBondContact OG-OE2 3.39Å |
| 291 | T | 97.4 | Very high | 97.6 | Very high | 82 Ų | 82 | 47.2 Ų | 47.2 | 50% | 0.503 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -60.8 | -44.5 | 176.3 | -52.9 | 0 | 0 | 0 | 0 | 112.3 | S289 L294 Q295 | S289-T291 PolarHBondContact O-N 3.27Å; T291-L294 PolarHBondContact O-N 3Å; T291-Q295 WeakPolarHBondContact O-CG 3.36Å; T291-Q295 PolarHBondContact O-N 3.02Å |
| 292 | V | 97.7 | Very high | 97.6 | Very high | 45 Ų | 45 | 51.9 Ų | 51.9 | 27% | 0.273 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -66.6 | -41.1 | 178.3 | 176.1 | 0 | 0 | 0 | 0 | 110.8 | L288 S289 L294 Q295 R296 | L288-V292 HydrophobicContact CB-CB 4.44Å; L288-V292 HydrophobicContact CB-CG1 4.43Å; L288-V292 HydrophobicContact CD1-CG1 4.47Å; L288-V292 HydrophobicContact CD2-CG1 4.28Å; S289-V292 PolarHBondContact O-N 2.87Å; S289-V292 VanDerWaalsContact O-N 3.11Å; V292-L294 VanDerWaalsContact C-N 3.34Å; V292-Q295 PolarHBondContact O-N 2.85Å; V292-R296 WeakPolarHBondContact O-CG 3.49Å; V292-R296 PolarHBondContact O-N 3.3Å |
| 293 | L | 98.2 | Very high | 97.6 | Very high | 2 Ų | 2 | 55.7 Ų | 55.7 | 1% | 0.01 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -65.9 | -35.7 | 174.8 | -86.1 | 162.4 | 0 | 0 | 0 | 112.7 | P142 F143 S289 S290 R296 L297 I363 Y383 | P142-L293 HydrophobicContact CB-CD1 4.38Å; P142-L293 HydrophobicContact CB-CD2 4.12Å; P142-L293 WeakPolarHBondContact O-CD2 3.14Å; F143-L293 HydrophobicContact CB-CD1 4.46Å; F143-L293 HydrophobicContact CD1-CD1 3.31Å; F143-L293 HydrophobicContact CD2-CD1 4.08Å; F143-L293 HydrophobicContact CE1-CD1 3.29Å; F143-L293 HydrophobicContact CE2-CD1 4.06Å; F143-L293 HydrophobicContact CG-CD1 3.7Å; F143-L293 HydrophobicContact CZ-CD1 3.65Å; S289-L293 PolarHBondContact O-N 3.27Å; S289-L293 VanDerWaalsContact O-N 3.13Å; S290-L293 PolarHBondContact O-N 3.07Å; L293-R296 PolarHBondContact O-N 3.41Å; L293-L297 WeakPolarHBondContact O-CB 3.23Å; L293-L297 PolarHBondContact O-N 3.28Å; L293-I363 HydrophobicContact CB-CD1 4.43Å; L293-I363 HydrophobicContact CB-CG2 3.84Å; L293-I363 HydrophobicContact CD1-CG2 4.32Å; L293-Y383 HydrophobicContact CB-CE2 4.26Å; L293-Y383 HydrophobicContact CD2-CD1 4.02Å; L293-Y383 HydrophobicContact CD2-CD2 3.97Å; L293-Y383 HydrophobicContact CD2-CE1 3.59Å; L293-Y383 HydrophobicContact CD2-CE2 3.54Å; L293-Y383 HydrophobicContact CD2-CG 4.2Å; L293-Y383 HydrophobicContact CG-CE2 4.5Å; L293-Y383 PolarHBondContact O-OH 3.45Å; L293-Y383 VanDerWaalsContact O-OH 3.06Å |
| 294 | L | 98.3 | Very high | 97.6 | Very high | 20 Ų | 20 | 59 Ų | 59 | 11% | 0.105 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -67.7 | -41 | 176.2 | -166.6 | 68.4 | 0 | 0 | 0 | 112 | S290 T291 V292 L297 R298 I344 A359 T360 I363 | S290-L294 WeakPolarHBondContact O-CB 3.45Å; S290-L294 PolarHBondContact O-N 2.79Å; T291-L294 PolarHBondContact O-N 3Å; V292-L294 VanDerWaalsContact C-N 3.34Å; L294-L297 PolarHBondContact O-N 3.34Å; L294-R298 WeakPolarHBondContact O-CG 3.31Å; L294-R298 PolarHBondContact O-N 2.92Å; L294-I344 HydrophobicContact CD1-CD1 3.69Å; L294-I344 HydrophobicContact CD2-CD1 3.78Å; L294-I344 HydrophobicContact CG-CD1 3.95Å; L294-A359 HydrophobicContact CD1-CB 3.72Å; L294-T360 HydrophobicContact CD2-CG2 3.98Å; L294-I363 HydrophobicContact CB-CD1 4.47Å; L294-I363 HydrophobicContact CD1-CD1 3.96Å |
| 295 | Q | 98.3 | Very high | 97.5 | Very high | 121 Ų | 121 | 60 Ų | 60 | 57% | 0.565 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -60.2 | -45.7 | 171.5 | -73.4 | 171.9 | -21.4 | 0 | 0 | 111.1 | T291 V292 L297 R298 A299 | T291-Q295 WeakPolarHBondContact O-CG 3.36Å; T291-Q295 PolarHBondContact O-N 3.02Å; V292-Q295 PolarHBondContact O-N 2.85Å; Q295-L297 VanDerWaalsContact C-N 3.35Å; Q295-L297 PolarHBondContact O-N 3.05Å; Q295-R298 PolarHBondContact O-N 3.29Å; Q295-A299 WeakPolarHBondContact O-CB 3.27Å; Q295-A299 PolarHBondContact O-N 3.14Å |
| 296 | R | 98.3 | Very high | 97.3 | Very high | 98 Ų | 98 | 63.9 Ų | 63.9 | 37% | 0.37 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -62.8 | -37.8 | 175.7 | -73.2 | 174.7 | -179.7 | -157.7 | -0.6 | 112.9 | D145 V292 L293 A299 K300 Y383 | D145-R296 IonicContact OD1-CZ 3.16Å; D145-R296 IonicContact OD1-NH1 3.71Å; D145-R296 PolarHBondContact OD1-NH1 2.87Å; D145-R296 IonicContact OD1-NH2 2.77Å; D145-R296 PolarHBondContact OD1-NH2 2.88Å; D145-R296 IonicContact OD2-CZ 3.05Å; D145-R296 IonicContact OD2-NH1 2.64Å; D145-R296 IonicContact OD2-NH2 3.51Å; D145-R296 PolarHBondContact OD2-NH2 2.72Å; V292-R296 WeakPolarHBondContact O-CG 3.49Å; V292-R296 PolarHBondContact O-N 3.3Å; L293-R296 PolarHBondContact O-N 3.41Å; R296-A299 PolarHBondContact O-N 2.96Å; R296-K300 PolarHBondContact O-N 3.3Å; R296-Y383 VanDerWaalsContact CB-OH 3.31Å; R296-Y383 WeakPolarHBondContact CB-OH 3.39Å |
| 297 | L | 98.4 | Very high | 97.3 | Very high | 2 Ų | 2 | 63.7 Ų | 63.7 | 1% | 0.01 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -65.8 | -44.9 | 175.8 | -179.3 | 61.7 | 0 | 0 | 0 | 111.1 | L293 L294 Q295 A299 K300 A359 I363 Y383 L386 I388 | L293-L297 WeakPolarHBondContact O-CB 3.23Å; L293-L297 PolarHBondContact O-N 3.28Å; L294-L297 PolarHBondContact O-N 3.34Å; Q295-L297 VanDerWaalsContact C-N 3.35Å; Q295-L297 PolarHBondContact O-N 3.05Å; L297-A299 VanDerWaalsContact C-N 3.3Å; L297-A299 PolarHBondContact O-N 2.9Å; L297-K300 HydrophobicContact CD1-CD 4.23Å; L297-K300 WeakPolarHBondContact O-CB 3.46Å; L297-K300 PolarHBondContact O-N 2.84Å; L297-A359 HydrophobicContact CD2-CB 3.79Å; L297-I363 HydrophobicContact CD2-CD1 4.08Å; L297-Y383 HydrophobicContact CB-CE2 4.23Å; L297-Y383 PolarHBondContact N-OH 3.07Å; L297-L386 HydrophobicContact CD1-CB 3.87Å; L297-L386 WeakPolarHBondContact CD1-O 3.36Å; L297-L386 HydrophobicContact CD2-CB 4.46Å; L297-I388 HydrophobicContact CG-CD1 4.35Å; L297-I388 HydrophobicContact CG-CG1 4.23Å |
| 298 | R | 98 | Very high | 97.2 | Very high | 137 Ų | 137 | 60.1 Ų | 60.1 | 52% | 0.517 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -60.2 | -39.3 | 172.9 | -73.2 | 173.5 | 170.5 | 179.1 | -5.2 | 111.9 | L294 Q295 K300 G301 I344 I388 | L294-R298 WeakPolarHBondContact O-CG 3.31Å; L294-R298 PolarHBondContact O-N 2.92Å; Q295-R298 PolarHBondContact O-N 3.29Å; R298-K300 VanDerWaalsContact C-N 3.26Å; R298-K300 PolarHBondContact O-N 3.13Å; R298-G301 PolarHBondContact O-N 3.19Å; R298-I344 VanDerWaalsContact NH2-CD1 3.31Å; R298-I388 HydrophobicContact CB-CD1 4.49Å; R298-I388 HydrophobicContact CG-CD1 4Å |
| 299 | A | 98.1 | Very high | 97.1 | Very high | 87 Ų | 87 | 63.8 Ų | 63.8 | 72% | 0.719 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -68.2 | -17.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | Q295 R296 L297 G301 | Q295-A299 WeakPolarHBondContact O-CB 3.27Å; Q295-A299 PolarHBondContact O-N 3.14Å; R296-A299 PolarHBondContact O-N 2.96Å; L297-A299 VanDerWaalsContact C-N 3.3Å; L297-A299 PolarHBondContact O-N 2.9Å; A299-G301 PolarHBondContact O-N 3.44Å |
| 300 | K | 96.5 | Very high | 97 | Very high | 103 Ų | 103 | 64.2 Ų | 64.2 | 45% | 0.448 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | -13.9 | 167.1 | -60.9 | -173.4 | -168.2 | 172.6 | 0 | 112.8 | R296 L297 R298 Y383 E384 | R296-K300 PolarHBondContact O-N 3.3Å; L297-K300 HydrophobicContact CD1-CD 4.23Å; L297-K300 WeakPolarHBondContact O-CB 3.46Å; L297-K300 PolarHBondContact O-N 2.84Å; R298-K300 VanDerWaalsContact C-N 3.26Å; R298-K300 PolarHBondContact O-N 3.13Å; K300-Y383 PolarHBondContact NZ-O 3.37Å; K300-E384 PolarHBondContact NZ-O 2.74Å; K300-E384 VanDerWaalsContact NZ-O 3.13Å |
| 301 | G | 96.6 | Very high | 96.9 | Very high | 38 Ų | 38 | 65 Ų | 65 | 39% | 0.392 | 34% | 0.339 | S | S | . | . | trans | 88.9 | 173.3 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114 | R298 A299 | R298-G301 PolarHBondContact O-N 3.19Å; A299-G301 PolarHBondContact O-N 3.44Å | ||
| 302 | I | 98 | Very high | 96.7 | Very high | 97 Ų | 97 | 61.3 Ų | 61.3 | 50% | 0.497 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 135.4 | 177.1 | -60 | 174.4 | 0 | 0 | 0 | 108.2 | I388 M393 | I302-I388 HydrophobicContact CG1-CB 4.47Å; I302-I388 HydrophobicContact CG1-CG2 4.19Å; I302-I388 HydrophobicContact CG2-CG2 4.36Å; I302-M393 HydrophobicContact CD1-CE 4.23Å; I302-M393 HydrophobicContact CD1-CG 4.37Å; I302-M393 HydrophobicContact CG2-CG 4.27Å |
| 303 | R | 97.9 | Very high | 96.5 | Very high | 81 Ų | 81 | 65.8 Ų | 65.8 | 31% | 0.306 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 133 | 177.2 | -179.1 | 171.8 | -176.2 | 74.9 | -1.1 | 109.7 | H307 I387 I388 G390 | R303-H307 HydrophobicContact CG-CB 4.34Å; R303-H307 VanDerWaalsContact CZ-CD2 3.45Å; R303-H307 VanDerWaalsContact NH2-CG 3.32Å; R303-I387 HydrophobicContact CB-CB 4.37Å; R303-I387 HydrophobicContact CB-CD1 4.4Å; R303-I388 VanDerWaalsContact CB-O 3.25Å; R303-I388 WeakPolarHBondContact CB-O 3.43Å; R303-I388 PolarHBondContact N-O 2.9Å; R303-G390 WeakPolarHBondContact O-CA 3.48Å; R303-G390 PolarHBondContact O-N 3Å |
| 304 | N | 97.5 | Very high | 96.2 | Very high | 80 Ų | 80 | 72.4 Ų | 72.4 | 43% | 0.428 | 36% | 0.362 | S | S | . | . | P | Polyproline II helix | trans | -50.2 | 126.9 | 177.5 | 178.2 | -24.8 | 0 | 0 | 0 | 110.5 | D306 H307 | N304-D306 PolarHBondContact O-N 3.34Å; N304-D306 VanDerWaalsContact O-N 3.17Å; N304-D306 VanDerWaalsContact OD1-CB 3.3Å; N304-D306 WeakPolarHBondContact OD1-CB 3.38Å; N304-D306 VanDerWaalsContact OD1-CG 3.3Å; N304-D306 PolarHBondContact OD1-N 3.33Å; N304-D306 PolarHBondContact OD1-OD2 2.99Å; N304-H307 PolarHBondContact O-CD2 2.98Å; N304-H307 PolarHBondContact O-N 3.01Å |
| 305 | P | 96.4 | Very high | 95.9 | Very high | 21 Ų | 21 | 75.1 Ų | 75.1 | 14% | 0.136 | 37% | 0.373 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.3 | -28.4 | -179.9 | 27.2 | -40.9 | 0 | 0 | 0 | 114 | H307 S308 R309 L391 E394 | P305-H307 PolarHBondContact O-N 3.14Å; P305-S308 WeakPolarHBondContact O-CA 3.38Å; P305-S308 WeakPolarHBondContact O-CB 3.32Å; P305-S308 PolarHBondContact O-N 2.95Å; P305-R309 VanDerWaalsContact CG-NH1 3.33Å; P305-R309 PolarHBondContact O-N 2.73Å; P305-L391 HydrophobicContact CB-CB 3.94Å; P305-L391 HydrophobicContact CB-CD1 4.42Å; P305-E394 WeakPolarHBondContact CG-OE1 3.4Å |
| 306 | D | 95.8 | Very high | 95.6 | Very high | 86 Ų | 86 | 69.7 Ų | 69.7 | 46% | 0.46 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -63.3 | -25.2 | -179.1 | -61.5 | -28.1 | 0 | 0 | 0 | 112.8 | N304 S308 R309 A310 | N304-D306 PolarHBondContact O-N 3.34Å; N304-D306 VanDerWaalsContact O-N 3.17Å; N304-D306 VanDerWaalsContact OD1-CB 3.3Å; N304-D306 WeakPolarHBondContact OD1-CB 3.38Å; N304-D306 VanDerWaalsContact OD1-CG 3.3Å; N304-D306 PolarHBondContact OD1-N 3.33Å; N304-D306 PolarHBondContact OD1-OD2 2.99Å; D306-S308 VanDerWaalsContact C-N 3.3Å; D306-S308 PolarHBondContact O-N 3.45Å; D306-R309 PolarHBondContact O-N 2.96Å; D306-R309 IonicContact OD1-CZ 2.76Å; D306-R309 IonicContact OD1-NH1 3.98Å; D306-R309 PolarHBondContact OD1-NH1 3.48Å; D306-A310 VanDerWaalsContact O-CB 3.28Å; D306-A310 WeakPolarHBondContact O-CB 3.33Å; D306-A310 PolarHBondContact O-N 2.91Å |
| 307 | H | 95.8 | Very high | 95.3 | Very high | 93 Ų | 93 | 69.2 Ų | 69.2 | 43% | 0.431 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -66 | -34.5 | 171.2 | -68.1 | -55.9 | 0 | 0 | 0 | 112.6 | R303 N304 P305 L311 | R303-H307 HydrophobicContact CG-CB 4.34Å; R303-H307 VanDerWaalsContact CZ-CD2 3.45Å; R303-H307 VanDerWaalsContact NH2-CG 3.32Å; N304-H307 PolarHBondContact O-CD2 2.98Å; N304-H307 PolarHBondContact O-N 3.01Å; P305-H307 PolarHBondContact O-N 3.14Å; H307-L311 PolarHBondContact O-N 3.24Å |
| 308 | S | 94.8 | Very high | 94.7 | Very high | 0 Ų | 0 | 71.7 Ų | 71.7 | 0% | 0 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -77.2 | -38.9 | 176 | -60.8 | 0 | 0 | 0 | 0 | 110.4 | P305 D306 A310 L311 I312 R347 D389 | P305-S308 WeakPolarHBondContact O-CA 3.38Å; P305-S308 WeakPolarHBondContact O-CB 3.32Å; P305-S308 PolarHBondContact O-N 2.95Å; D306-S308 VanDerWaalsContact C-N 3.3Å; D306-S308 PolarHBondContact O-N 3.45Å; S308-A310 PolarHBondContact O-N 3.14Å; S308-L311 PolarHBondContact O-N 3.15Å; S308-I312 WeakPolarHBondContact O-CD1 3.33Å; S308-I312 VanDerWaalsContact O-CG1 3.27Å; S308-I312 WeakPolarHBondContact O-CG1 3.45Å; S308-I312 PolarHBondContact O-N 3.21Å; S308-R347 PolarHBondContact OG-NH2 3.01Å; S308-D389 PolarHBondContact OG-OD1 2.92Å; S308-D389 PolarHBondContact OG-OD2 3.22Å |
| 309 | R | 94.6 | Very high | 94.3 | Very high | 88 Ų | 88 | 69.7 Ų | 69.7 | 33% | 0.332 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -58.7 | -43.7 | 170.9 | -62.8 | 179.1 | 178.2 | 112.5 | 11.7 | 112 | P305 D306 I312 K313 L391 E394 | P305-R309 VanDerWaalsContact CG-NH1 3.33Å; P305-R309 PolarHBondContact O-N 2.73Å; D306-R309 PolarHBondContact O-N 2.96Å; D306-R309 IonicContact OD1-CZ 2.76Å; D306-R309 IonicContact OD1-NH1 3.98Å; D306-R309 PolarHBondContact OD1-NH1 3.48Å; R309-I312 WeakPolarHBondContact O-CB 3.47Å; R309-I312 PolarHBondContact O-N 2.92Å; R309-K313 WeakPolarHBondContact O-CB 3.34Å; R309-K313 PolarHBondContact O-N 3.49Å; R309-L391 HydrophobicContact CG-CD1 4.32Å; R309-L391 HydrophobicContact CG-CD2 4.11Å; R309-E394 IonicContact CZ-OE2 2.65Å; R309-E394 IonicContact NH2-OE2 2.67Å; R309-E394 PolarHBondContact NH2-OE2 2.72Å |
| 310 | A | 93.8 | Very high | 93.8 | Very high | 56 Ų | 56 | 71.6 Ų | 71.6 | 46% | 0.463 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -62.5 | -43.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | D306 S308 K313 E314 | D306-A310 VanDerWaalsContact O-CB 3.28Å; D306-A310 WeakPolarHBondContact O-CB 3.33Å; D306-A310 PolarHBondContact O-N 2.91Å; S308-A310 PolarHBondContact O-N 3.14Å; A310-K313 PolarHBondContact O-N 2.95Å; A310-E314 WeakPolarHBondContact O-CB 3.48Å; A310-E314 PolarHBondContact O-N 3.16Å |
| 311 | L | 93.8 | Very high | 93.6 | Very high | 29 Ų | 29 | 74.2 Ų | 74.2 | 15% | 0.152 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -66.7 | -34.8 | 176 | -179.1 | 65.7 | 0 | 0 | 0 | 112.8 | H307 S308 K315 | H307-L311 PolarHBondContact O-N 3.24Å; S308-L311 PolarHBondContact O-N 3.15Å; L311-K315 HydrophobicContact CG-CD 4.42Å; L311-K315 WeakPolarHBondContact O-CB 3.32Å; L311-K315 VanDerWaalsContact O-CG 3.29Å; L311-K315 WeakPolarHBondContact O-CG 3.39Å; L311-K315 PolarHBondContact O-N 3.37Å; L311-K315 VanDerWaalsContact O-N 3.11Å |
| 312 | I | 94.5 | Very high | 93.3 | Very high | 3 Ų | 3 | 75 Ų | 75 | 2% | 0.015 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -62.4 | -50.4 | 171.8 | -73.1 | 156 | 0 | 0 | 0 | 109.4 | S308 R309 E314 K315 L316 L329 L354 L391 F407 | S308-I312 WeakPolarHBondContact O-CD1 3.33Å; S308-I312 VanDerWaalsContact O-CG1 3.27Å; S308-I312 WeakPolarHBondContact O-CG1 3.45Å; S308-I312 PolarHBondContact O-N 3.21Å; R309-I312 WeakPolarHBondContact O-CB 3.47Å; R309-I312 PolarHBondContact O-N 2.92Å; I312-E314 PolarHBondContact O-N 3.42Å; I312-K315 PolarHBondContact O-N 2.95Å; I312-L316 HydrophobicContact CG2-CD1 3.71Å; I312-L316 HydrophobicContact CG2-CG 4.48Å; I312-L316 WeakPolarHBondContact O-CB 3.36Å; I312-L316 WeakPolarHBondContact O-CG 3.18Å; I312-L316 PolarHBondContact O-N 3.36Å; I312-L329 HydrophobicContact CB-CD1 4.45Å; I312-L329 HydrophobicContact CG1-CD1 4.36Å; I312-L329 HydrophobicContact CG2-CD1 4.3Å; I312-L354 HydrophobicContact CD1-CD1 4.33Å; I312-L354 HydrophobicContact CD1-CD2 3.9Å; I312-L354 HydrophobicContact CG1-CD1 4.1Å; I312-L354 HydrophobicContact CG1-CD2 3.44Å; I312-L354 VanDerWaalsContact CG1-CD2 3.44Å; I312-L354 HydrophobicContact CG1-CG 4.44Å; I312-L391 HydrophobicContact CD1-CD2 3.43Å; I312-L391 VanDerWaalsContact CD1-CD2 3.43Å; I312-F407 HydrophobicContact CD1-CD1 3.56Å; I312-F407 HydrophobicContact CD1-CD2 4.02Å; I312-F407 HydrophobicContact CD1-CE1 3.55Å; I312-F407 HydrophobicContact CD1-CE2 3.99Å; I312-F407 HydrophobicContact CD1-CG 3.8Å; I312-F407 HydrophobicContact CD1-CZ 3.76Å; I312-F407 HydrophobicContact CG1-CD1 4.45Å; I312-F407 HydrophobicContact CG1-CD2 4.34Å; I312-F407 HydrophobicContact CG1-CG 4.24Å; I312-F407 HydrophobicContact CG2-CB 3.94Å; I312-F407 HydrophobicContact CG2-CG 4.33Å |
| 313 | K | 92.7 | Very high | 92.9 | Very high | 139 Ų | 139 | 80.1 Ų | 80.1 | 60% | 0.604 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -60.8 | -43.8 | 178.5 | -173.9 | 172.9 | -178 | 172.7 | 0 | 112.1 | R309 A310 K315 L316 T317 | R309-K313 WeakPolarHBondContact O-CB 3.34Å; R309-K313 PolarHBondContact O-N 3.49Å; A310-K313 PolarHBondContact O-N 2.95Å; K313-K315 VanDerWaalsContact C-N 3.3Å; K313-K315 PolarHBondContact O-N 3.42Å; K313-L316 CarbonylContact O-C 3.57Å; K313-L316 PolarHBondContact O-N 3.34Å; K313-T317 PolarHBondContact O-N 3.29Å; K313-T317 PolarHBondContact O-OG1 2.83Å |
| 314 | E | 91.6 | Very high | 92.5 | Very high | 141 Ų | 141 | 83.2 Ų | 83.2 | 66% | 0.659 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -55.7 | -44.7 | 174.5 | -176.3 | -170.3 | 155 | 0 | 0 | 111.5 | A310 I312 | A310-E314 WeakPolarHBondContact O-CB 3.48Å; A310-E314 PolarHBondContact O-N 3.16Å; I312-E314 PolarHBondContact O-N 3.42Å |
| 315 | K | 92.4 | Very high | 92 | Very high | 78 Ų | 78 | 81.8 Ų | 81.8 | 34% | 0.339 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -74.4 | -24.3 | 179.5 | -76.3 | 178.7 | 178.9 | -58.7 | 0 | 115.2 | L311 I312 K313 L329 S352 | L311-K315 HydrophobicContact CG-CD 4.42Å; L311-K315 WeakPolarHBondContact O-CB 3.32Å; L311-K315 VanDerWaalsContact O-CG 3.29Å; L311-K315 WeakPolarHBondContact O-CG 3.39Å; L311-K315 PolarHBondContact O-N 3.37Å; L311-K315 VanDerWaalsContact O-N 3.11Å; I312-K315 PolarHBondContact O-N 2.95Å; K313-K315 VanDerWaalsContact C-N 3.3Å; K313-K315 PolarHBondContact O-N 3.42Å; K315-L329 HydrophobicContact CB-CD1 3.74Å; K315-L329 HydrophobicContact CB-CD2 4.37Å; K315-L329 HydrophobicContact CD-CD1 3.97Å; K315-S352 WeakPolarHBondContact CE-O 3.47Å; K315-S352 PolarHBondContact NZ-O 2.9Å |
| 316 | L | 92.8 | Very high | 91.7 | Very high | 6 Ų | 6 | 84.5 Ų | 84.5 | 3% | 0.031 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -97 | -6.3 | 177.4 | -68.5 | 177.4 | 0 | 0 | 0 | 112.8 | I312 K313 A318 T326 L329 K408 E409 | I312-L316 HydrophobicContact CG2-CD1 3.71Å; I312-L316 HydrophobicContact CG2-CG 4.48Å; I312-L316 WeakPolarHBondContact O-CB 3.36Å; I312-L316 WeakPolarHBondContact O-CG 3.18Å; I312-L316 PolarHBondContact O-N 3.36Å; K313-L316 CarbonylContact O-C 3.57Å; K313-L316 PolarHBondContact O-N 3.34Å; L316-A318 PolarHBondContact O-N 3.33Å; L316-T326 HydrophobicContact CD2-CG2 3.9Å; L316-T326 WeakPolarHBondContact CD2-O 3.48Å; L316-L329 HydrophobicContact CD1-CD1 4.47Å; L316-L329 HydrophobicContact CD1-CG 4.34Å; L316-L329 HydrophobicContact CD2-CD1 4.48Å; L316-L329 HydrophobicContact CD2-CD2 4.31Å; L316-L329 HydrophobicContact CD2-CG 3.81Å; L316-L329 HydrophobicContact CG-CD1 4.11Å; L316-L329 HydrophobicContact CG-CG 3.97Å; L316-K408 WeakPolarHBondContact CD1-O 3.29Å; L316-E409 HydrophobicContact CB-CG 4.43Å |
| 317 | T | 90.8 | Very high | 91.3 | Very high | 88 Ų | 88 | 85.9 Ų | 85.9 | 54% | 0.54 | 47% | 0.47 | S | S | . | . | S | Bend | trans | -69 | 113.7 | 170.7 | -59.6 | 0 | 0 | 0 | 0 | 108 | K313 D319 | K313-T317 PolarHBondContact O-N 3.29Å; K313-T317 PolarHBondContact O-OG1 2.83Å; T317-D319 PolarHBondContact O-N 3.2Å |
| 318 | A | 87.6 | Confident | 91.1 | Very high | 54 Ų | 54 | 82.8 Ų | 82.8 | 45% | 0.446 | 46% | 0.459 | S | S | . | . | trans | -61.6 | 133 | 175 | 0 | 0 | 0 | 0 | 0 | 110.5 | L316 A325 | L316-A318 PolarHBondContact O-N 3.33Å; A318-A325 HydrophobicContact CB-CB 3.77Å | ||
| 319 | D | 88.6 | Confident | 91.1 | Very high | 96 Ų | 96 | 84.2 Ų | 84.2 | 51% | 0.513 | 47% | 0.467 | S | S | . | . | trans | -73.2 | 120.4 | 167.1 | -174.3 | -21 | 0 | 0 | 0 | 107.9 | T317 D321 S322 | T317-D319 PolarHBondContact O-N 3.2Å; D319-D321 PolarHBondContact O-N 3.21Å; D319-D321 VanDerWaalsContact O-N 3.17Å; D319-D321 PolarHBondContact OD1-N 3.1Å; D319-S322 PolarHBondContact O-N 3.32Å | ||
| 320 | P | 88.5 | Confident | 91.1 | Very high | 126 Ų | 126 | 86.2 Ų | 86.2 | 82% | 0.818 | 47% | 0.474 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | -19.2 | -178.2 | 27.6 | -36.7 | 0 | 0 | 0 | 113.7 | ||
| 321 | D | 91.5 | Very high | 91.3 | Very high | 158 Ų | 158 | 84.1 Ų | 84.1 | 85% | 0.845 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.6 | -1 | 176.9 | -64.8 | -29.3 | 0 | 0 | 0 | 112.6 | D319 | D319-D321 PolarHBondContact O-N 3.21Å; D319-D321 VanDerWaalsContact O-N 3.17Å; D319-D321 PolarHBondContact OD1-N 3.1Å |
| 322 | S | 89.7 | Confident | 91.5 | Very high | 56 Ų | 56 | 84 Ų | 84 | 39% | 0.392 | 46% | 0.457 | S | S | . | . | trans | -104.9 | 125.5 | -180 | -175.2 | 0 | 0 | 0 | 0 | 112.6 | D319 I324 | D319-S322 PolarHBondContact O-N 3.32Å; S322-I324 PolarHBondContact O-N 3.44Å; S322-I324 PolarHBondContact OG-N 2.95Å; S322-I324 PolarHBondContact OG-O 3.32Å | ||
| 323 | E | 90.2 | Very high | 91.6 | Very high | 204 Ų | 204 | 83.8 Ų | 83.8 | 95% | 0.953 | 46% | 0.456 | S | S | * | . | S | Bend | trans | -67.4 | -19.7 | 171.6 | -62.5 | -175.5 | 169.6 | 0 | 0 | 112.9 | ||
| 324 | I | 88.5 | Confident | 91.9 | Very high | 145 Ų | 145 | 79.3 Ų | 79.3 | 74% | 0.744 | 44% | 0.439 | S | S | * | . | trans | -110.4 | 118.1 | 179.9 | -57.2 | 175.3 | 0 | 0 | 0 | 109.1 | S322 | S322-I324 PolarHBondContact O-N 3.44Å; S322-I324 PolarHBondContact OG-N 2.95Å; S322-I324 PolarHBondContact OG-O 3.32Å | ||
| 325 | A | 88 | Confident | 92.2 | Very high | 50 Ų | 50 | 72.6 Ų | 72.6 | 41% | 0.413 | 41% | 0.407 | S | S | . | . | trans | -111.7 | 139.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111 | A318 T327 | A318-A325 HydrophobicContact CB-CB 3.77Å; A325-T327 PolarHBondContact O-N 3.07Å | ||
| 326 | T | 90 | Very high | 92.5 | Very high | 78 Ų | 78 | 70.7 Ų | 70.7 | 48% | 0.479 | 40% | 0.403 | S | S | . | . | trans | -80.2 | 109.4 | 173.4 | -57.7 | 0 | 0 | 0 | 0 | 108.8 | L316 S328 L329 | L316-T326 HydrophobicContact CD2-CG2 3.9Å; L316-T326 WeakPolarHBondContact CD2-O 3.48Å; T326-S328 VanDerWaalsContact CG2-O 3.31Å; T326-S328 WeakPolarHBondContact CG2-O 3.27Å; T326-L329 HydrophobicContact CG2-CD2 3.78Å | ||
| 327 | T | 88.2 | Confident | 92.6 | Very high | 115 Ų | 115 | 73.2 Ų | 73.2 | 71% | 0.706 | 42% | 0.416 | S | S | * | . | trans | -84.4 | -20.2 | -176.3 | 56.3 | 0 | 0 | 0 | 0 | 113.9 | A325 | A325-T327 PolarHBondContact O-N 3.07Š| ||
| 328 | S | 90.9 | Very high | 92.9 | Very high | 29 Ų | 29 | 70.1 Ų | 70.1 | 20% | 0.203 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.2 | 155.7 | 179 | 66.2 | 0 | 0 | 0 | 0 | 111.9 | T326 Q406 F407 | T326-S328 VanDerWaalsContact CG2-O 3.31Å; T326-S328 WeakPolarHBondContact CG2-O 3.27Å; S328-Q406 PolarHBondContact OG-NE2 3.3Å; S328-F407 CarbonylContact C-O 3.57Å; S328-F407 VanDerWaalsContact CA-O 3.23Å; S328-F407 WeakPolarHBondContact CA-O 3.4Å; S328-F407 VanDerWaalsContact CB-O 3.31Å; S328-F407 WeakPolarHBondContact CB-O 3.45Å |
| 329 | L | 94.2 | Very high | 93.3 | Very high | 30 Ų | 30 | 75.2 Ų | 75.2 | 16% | 0.157 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 116.9 | 174.4 | -61.8 | 173.7 | 0 | 0 | 0 | 110.3 | I312 K315 L316 T326 L354 Q406 F407 | I312-L329 HydrophobicContact CB-CD1 4.45Å; I312-L329 HydrophobicContact CG1-CD1 4.36Å; I312-L329 HydrophobicContact CG2-CD1 4.3Å; K315-L329 HydrophobicContact CB-CD1 3.74Å; K315-L329 HydrophobicContact CB-CD2 4.37Å; K315-L329 HydrophobicContact CD-CD1 3.97Å; L316-L329 HydrophobicContact CD1-CD1 4.47Å; L316-L329 HydrophobicContact CD1-CG 4.34Å; L316-L329 HydrophobicContact CD2-CD1 4.48Å; L316-L329 HydrophobicContact CD2-CD2 4.31Å; L316-L329 HydrophobicContact CD2-CG 3.81Å; L316-L329 HydrophobicContact CG-CD1 4.11Å; L316-L329 HydrophobicContact CG-CG 3.97Å; T326-L329 HydrophobicContact CG2-CD2 3.78Å; L329-L354 HydrophobicContact CD1-CD2 4.38Å; L329-Q406 WeakPolarHBondContact O-CA 3.27Å; L329-F407 HydrophobicContact CB-CB 4.32Å; L329-F407 PolarHBondContact N-O 3.32Å; L329-F407 PolarHBondContact O-N 3.46Å |
| 330 | R | 95.2 | Very high | 93.7 | Very high | 130 Ų | 130 | 75.8 Ų | 75.8 | 49% | 0.491 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 137.6 | 171.1 | -61.4 | 177.7 | 56.7 | 176.3 | -1.5 | 110.2 | E404 I405 Q406 M416 | R330-E404 IonicContact CZ-OE2 3.16Å; R330-E404 IonicContact NE-OE2 3.97Å; R330-E404 PolarHBondContact NE-OE2 3.11Å; R330-E404 IonicContact NH2-OE1 3.81Å; R330-E404 IonicContact NH2-OE2 2.72Å; R330-E404 PolarHBondContact NH2-OE2 2.67Å; R330-I405 WeakPolarHBondContact CA-O 3.49Å; R330-Q406 HydrophobicContact CG-CG 4.49Å; R330-M416 HydrophobicContact CB-SD 4.24Å; R330-M416 HydrophobicContact CG-CE 4.36Å; R330-M416 HydrophobicContact CG-SD 3.59Å; R330-M416 VanDerWaalsContact CG-SD 3.59Å; R330-M416 PolarHBondContact NE-SD 3.46Å |
| 331 | V | 97 | Very high | 94.1 | Very high | 11 Ų | 11 | 72.9 Ų | 72.9 | 7% | 0.067 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 152.7 | 168.5 | -62 | 0 | 0 | 0 | 0 | 110.9 | L354 F392 E404 I405 F407 | V331-L354 HydrophobicContact CG1-CB 4.09Å; V331-L354 HydrophobicContact CG1-CD2 3.91Å; V331-L354 HydrophobicContact CG1-CG 4.06Å; V331-F392 HydrophobicContact CB-CE1 4.44Å; V331-F392 HydrophobicContact CB-CZ 4.14Å; V331-F392 HydrophobicContact CG1-CZ 4.35Å; V331-F392 HydrophobicContact CG2-CE1 3.93Å; V331-F392 HydrophobicContact CG2-CZ 3.74Å; V331-E404 WeakPolarHBondContact O-CA 3.25Å; V331-I405 HydrophobicContact CG2-CD1 3.75Å; V331-I405 HydrophobicContact CG2-CG1 3.53Å; V331-I405 PolarHBondContact N-O 2.93Å; V331-I405 PolarHBondContact O-N 2.93Å; V331-F407 HydrophobicContact CG2-CD2 4.26Å; V331-F407 HydrophobicContact CG2-CE2 3.66Å |
| 332 | S | 97.6 | Very high | 94.5 | Very high | 26 Ų | 26 | 65.6 Ų | 65.6 | 18% | 0.182 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 142 | 174.2 | -173.5 | 0 | 0 | 0 | 0 | 112 | L334 Q355 D403 | S332-L334 VanDerWaalsContact C-N 3.29Å; S332-L334 WeakPolarHBondContact OG-CB 2.94Å; S332-L334 PolarHBondContact OG-N 3.48Å; S332-Q355 PolarHBondContact O-NE2 3.27Å; S332-Q355 PolarHBondContact O-OE1 3.43Å; S332-D403 CarbonylContact C-O 3.51Å; S332-D403 WeakPolarHBondContact CA-O 3.4Å; S332-D403 PolarHBondContact OG-O 2.93Å |
| 333 | L | 98.1 | Very high | 94.8 | Very high | 0 Ų | 0 | 67.7 Ų | 67.7 | 0% | 0 | 36% | 0.359 | C | S | . | . | S | Bend | trans | -87.3 | -0.2 | 168.4 | -59.1 | -176.4 | 0 | 0 | 0 | 112.1 | R341 L342 F392 I395 L396 C399 D403 I405 | L333-R341 VanDerWaalsContact CD1-NH2 3.35Å; L333-L342 WeakPolarHBondContact O-CB 3.29Å; L333-L342 WeakPolarHBondContact O-CG 3.43Å; L333-L342 PolarHBondContact O-N 3.05Å; L333-F392 HydrophobicContact CD2-CD1 4.05Å; L333-F392 HydrophobicContact CD2-CE1 4.26Å; L333-I395 HydrophobicContact CD1-CG2 3.98Å; L333-I395 HydrophobicContact CD2-CG2 3.86Å; L333-L396 HydrophobicContact CB-CD2 3.93Å; L333-L396 HydrophobicContact CD1-CD2 4.45Å; L333-L396 HydrophobicContact CD2-CD2 4.15Å; L333-L396 HydrophobicContact CD2-CG 4.48Å; L333-L396 HydrophobicContact CG-CD2 4.4Å; L333-C399 HydrophobicContact CD1-CB 4.05Å; L333-D403 PolarHBondContact N-O 3.39Å; L333-I405 HydrophobicContact CD1-CG2 3.9Å; L333-I405 HydrophobicContact CD2-CG1 4.23Å; L333-I405 HydrophobicContact CG-CG1 4.44Å; L333-I405 HydrophobicContact CG-CG2 4.37Å |
| 334 | L | 98 | Very high | 95.2 | Very high | 45 Ų | 45 | 58.2 Ų | 58.2 | 24% | 0.236 | 32% | 0.315 | C | S | . | . | B | Isolated β-bridge | trans | -88.3 | 147.3 | 169.3 | -56.9 | -179.4 | 0 | 0 | 0 | 111.3 | S332 R341 D403 | S332-L334 VanDerWaalsContact C-N 3.29Å; S332-L334 WeakPolarHBondContact OG-CB 2.94Å; S332-L334 PolarHBondContact OG-N 3.48Å; L334-R341 HydrophobicContact CD2-CB 4.32Å; L334-D403 HydrophobicContact CD1-CB 3.96Å; L334-D403 HydrophobicContact CD2-CB 4.27Å; L334-D403 WeakPolarHBondContact CD2-OD1 3.26Å; L334-D403 HydrophobicContact CG-CB 3.87Å |
| 335 | C | 98.4 | Very high | 95.7 | Very high | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 28% | 0.279 | C | S | . | . | trans | -74.1 | 120.9 | 175.3 | -178.6 | 0 | 0 | 0 | 0 | 110.3 | L337 G338 K339 M340 L342 D358 | C335-L337 PolarHBondContact O-N 3.42Å; C335-L337 VanDerWaalsContact O-N 3.17Å; C335-G338 PolarHBondContact O-N 2.84Å; C335-G338 VanDerWaalsContact O-N 3.17Å; C335-K339 WeakPolarHBondContact O-CA 3.4Å; C335-K339 PolarHBondContact O-N 2.95Å; C335-M340 VanDerWaalsContact CB-O 3.31Å; C335-M340 WeakPolarHBondContact CB-O 3.2Å; C335-M340 PolarHBondContact N-O 2.92Å; C335-L342 HydrophobicContact CB-CD2 3.84Å; C335-D358 HydrophobicContact CB-CB 4.11Å; C335-D358 PolarHBondContact SG-N 2.73Å | ||
| 336 | P | 98 | Very high | 96.2 | Very high | 38 Ų | 38 | 49 Ų | 49 | 25% | 0.247 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62 | -27.7 | -179.1 | 23.4 | -33.3 | 0 | 0 | 0 | 113.2 | K339 C356 F357 V376 | P336-K339 WeakPolarHBondContact O-CE 3.38Å; P336-K339 PolarHBondContact O-NZ 2.83Å; P336-C356 VanDerWaalsContact CD-O 3.32Å; P336-C356 WeakPolarHBondContact CD-O 3.31Å; P336-F357 HydrophobicContact CG-CB 4.06Å; P336-V376 HydrophobicContact CG-CG2 3.76Å |
| 337 | L | 96 | Very high | 96.6 | Very high | 59 Ų | 59 | 45.9 Ų | 45.9 | 31% | 0.309 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.4 | -44.1 | 173.9 | -78.3 | 173.2 | 0 | 0 | 0 | 113.7 | C335 L361 Y362 M365 P375 | C335-L337 PolarHBondContact O-N 3.42Å; C335-L337 VanDerWaalsContact O-N 3.17Å; L337-L361 HydrophobicContact CB-CD2 3.69Å; L337-L361 HydrophobicContact CB-CG 4.31Å; L337-Y362 HydrophobicContact CD1-CD2 4.04Å; L337-M365 HydrophobicContact CD1-CE 4.23Å; L337-M365 HydrophobicContact CD2-CE 4.35Å; L337-M365 HydrophobicContact CD2-SD 4.09Å; L337-P375 HydrophobicContact CD1-CB 3.98Å; L337-P375 HydrophobicContact CD1-CG 3.79Å; L337-P375 HydrophobicContact CD2-CB 3.55Å; L337-P375 HydrophobicContact CD2-CG 4.3Å; L337-P375 HydrophobicContact CG-CB 3.49Å; L337-P375 VanDerWaalsContact CG-CB 3.49Å; L337-P375 HydrophobicContact CG-CG 3.73Å |
| 338 | G | 95.8 | Very high | 97.1 | Very high | 23 Ų | 23 | 40.5 Ų | 40.5 | 24% | 0.237 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -105.3 | -10.8 | -166.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | C335 M340 | C335-G338 PolarHBondContact O-N 2.84Å; C335-G338 VanDerWaalsContact O-N 3.17Å; G338-M340 PolarHBondContact O-N 2.95Å |
| 339 | K | 96.7 | Very high | 97.4 | Very high | 161 Ų | 161 | 43.7 Ų | 43.7 | 70% | 0.7 | 22% | 0.221 | S | C | * | . | S | Bend | trans | 51.5 | 20.5 | -172.4 | -48 | -52.3 | -171 | -170.5 | 0 | 114.4 | C335 P336 | C335-K339 WeakPolarHBondContact O-CA 3.4Å; C335-K339 PolarHBondContact O-N 2.95Å; P336-K339 WeakPolarHBondContact O-CE 3.38Å; P336-K339 PolarHBondContact O-NZ 2.83Å |
| 340 | M | 96.8 | Very high | 97.5 | Very high | 108 Ų | 108 | 46 Ų | 46 | 53% | 0.532 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -113.4 | 156.5 | 177.9 | 64.3 | -176.7 | 64.3 | 0 | 0 | 109.9 | C335 G338 L342 | C335-M340 VanDerWaalsContact CB-O 3.31Å; C335-M340 WeakPolarHBondContact CB-O 3.2Å; C335-M340 PolarHBondContact N-O 2.92Å; G338-M340 PolarHBondContact O-N 2.95Å; M340-L342 PolarHBondContact O-N 2.97Å |
| 341 | R | 97.8 | Very high | 97.6 | Very high | 64 Ų | 64 | 40.3 Ų | 40.3 | 24% | 0.242 | 22% | 0.217 | C | C | . | . | B | Isolated β-bridge | trans | -54.8 | 134.5 | 178.7 | -165.8 | 170.4 | -159.1 | 75.2 | 1.7 | 111.6 | L333 L334 T343 L396 C399 C402 D403 | L333-R341 VanDerWaalsContact CD1-NH2 3.35Å; L334-R341 HydrophobicContact CD2-CB 4.32Å; R341-T343 PolarHBondContact O-N 2.98Å; R341-L396 HydrophobicContact CG-CD2 4.17Å; R341-C399 PolarHBondContact NH2-O 2.87Å; R341-C402 PolarHBondContact NH1-O 2.97Å; R341-C402 PolarHBondContact NH2-O 3.25Å; R341-D403 IonicContact NH1-OD1 2.72Å; R341-D403 PolarHBondContact NH1-OD1 3.18Å |
| 342 | L | 98.4 | Very high | 97.6 | Very high | 6 Ų | 6 | 43 Ų | 43 | 3% | 0.031 | 24% | 0.235 | C | C | . | . | trans | -58.1 | 128.5 | 175.4 | -69.4 | 167.8 | 0 | 0 | 0 | 109.7 | L333 C335 M340 P345 C356 D358 F392 L396 | L333-L342 WeakPolarHBondContact O-CB 3.29Å; L333-L342 WeakPolarHBondContact O-CG 3.43Å; L333-L342 PolarHBondContact O-N 3.05Å; C335-L342 HydrophobicContact CB-CD2 3.84Å; M340-L342 PolarHBondContact O-N 2.97Å; L342-P345 HydrophobicContact CD1-CB 4.32Å; L342-C356 HydrophobicContact CD1-CB 4.08Å; L342-D358 HydrophobicContact CD2-CB 4.14Å; L342-F392 HydrophobicContact CD1-CD1 4.2Å; L342-L396 HydrophobicContact CB-CD1 3.65Å; L342-L396 HydrophobicContact CB-CD2 4.1Å | ||
| 343 | T | 97.6 | Very high | 97.5 | Very high | 99 Ų | 99 | 43 Ų | 43 | 61% | 0.607 | 23% | 0.232 | S | C | * | . | S | Bend | trans | -103.9 | -35.4 | 173.1 | -58.2 | 0 | 0 | 0 | 0 | 110.5 | R341 D358 | R341-T343 PolarHBondContact O-N 2.98Å; T343-D358 WeakPolarHBondContact CA-OD2 3.39Å; T343-D358 WeakPolarHBondContact CB-OD2 3.48Å; T343-D358 PolarHBondContact N-OD2 3.5Å |
| 344 | I | 98.2 | Very high | 97.5 | Very high | 6 Ų | 6 | 43.4 Ų | 43.4 | 3% | 0.031 | 24% | 0.235 | C | C | . | . | S | Bend | trans | -133.1 | 88.8 | 175.3 | -51.7 | 166.5 | 0 | 0 | 0 | 107.7 | L294 R298 C346 D358 A359 T360 I388 | L294-I344 HydrophobicContact CD1-CD1 3.69Å; L294-I344 HydrophobicContact CD2-CD1 3.78Å; L294-I344 HydrophobicContact CG-CD1 3.95Å; R298-I344 VanDerWaalsContact NH2-CD1 3.31Å; I344-C346 PolarHBondContact O-N 2.77Å; I344-D358 PolarHBondContact N-OD2 3.39Å; I344-D358 WeakPolarHBondContact O-CA 3.31Å; I344-A359 HydrophobicContact CB-CB 3.88Å; I344-A359 HydrophobicContact CG2-CB 3.63Å; I344-A359 PolarHBondContact O-N 2.96Å; I344-T360 WeakPolarHBondContact CD1-OG1 3.21Å; I344-I388 HydrophobicContact CG2-CD1 3.89Å; I344-I388 HydrophobicContact CG2-CG1 3.94Å; I344-I388 HydrophobicContact CG2-CG2 4.17Å |
| 345 | P | 98.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.6 | 116.5 | -178 | 29.4 | -35.9 | 0 | 0 | 0 | 110.2 | L342 C356 I388 D389 F392 M393 L396 | L342-P345 HydrophobicContact CD1-CB 4.32Å; P345-C356 HydrophobicContact CB-CB 3.82Å; P345-I388 WeakPolarHBondContact O-CA 3.37Å; P345-D389 PolarHBondContact O-N 2.87Å; P345-F392 HydrophobicContact CB-CB 3.41Å; P345-F392 VanDerWaalsContact CB-CB 3.41Å; P345-F392 HydrophobicContact CB-CD1 4.49Å; P345-F392 HydrophobicContact CB-CG 4.16Å; P345-F392 HydrophobicContact CG-CB 3.57Å; P345-M393 WeakPolarHBondContact CD-SD 3.43Å; P345-M393 HydrophobicContact CG-CG 3.83Å; P345-M393 HydrophobicContact CG-SD 3.9Å; P345-L396 HydrophobicContact CB-CD1 4.07Å; P345-L396 HydrophobicContact CG-CD1 3.78Å |
| 346 | C | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 148.1 | -173.4 | -173.8 | 0 | 0 | 0 | 0 | 111.5 | I344 C356 F357 A359 I387 | I344-C346 PolarHBondContact O-N 2.77Å; C346-C356 WeakPolarHBondContact O-CA 3.42Å; C346-F357 WeakPolarHBondContact CA-O 3.27Å; C346-F357 HydrophobicContact CB-CD2 4.3Å; C346-F357 HydrophobicContact CB-CE2 4.11Å; C346-F357 WeakPolarHBondContact CB-O 3.38Å; C346-F357 PolarHBondContact N-O 3.35Å; C346-F357 WeakPolarHBondContact O-CD1 3.45Å; C346-F357 PolarHBondContact O-N 3.4Å; C346-A359 HydrophobicContact CB-CB 3.78Å; C346-I387 VanDerWaalsContact CA-O 3.32Å; C346-I387 WeakPolarHBondContact CA-O 3.49Å; C346-I387 PolarHBondContact SG-O 3.37Å |
| 347 | R | 98.3 | Very high | 97.5 | Very high | 13 Ų | 13 | 41 Ų | 41 | 5% | 0.049 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.1 | 164.5 | 167.8 | 54 | -174.3 | 178.1 | 134.2 | 1.6 | 109.4 | S308 H353 F357 I387 D389 | S308-R347 PolarHBondContact OG-NH2 3.01Å; R347-H353 PolarHBondContact NH1-O 3.16Å; R347-F357 HydrophobicContact CB-CE1 4.39Å; R347-I387 HydrophobicContact CG-CD1 3.78Å; R347-I387 PolarHBondContact N-O 2.95Å; R347-I387 PolarHBondContact O-N 2.86Å; R347-D389 IonicContact CZ-OD2 3.04Å; R347-D389 IonicContact NE-OD2 3.32Å; R347-D389 PolarHBondContact NE-OD2 2.73Å; R347-D389 IonicContact NH2-OD2 2.72Å; R347-D389 PolarHBondContact NH2-OD2 2.82Å |
| 348 | A | 98.4 | Very high | 97.6 | Very high | 2 Ų | 2 | 38.5 Ų | 38.5 | 2% | 0.017 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 146.6 | 171.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | T350 C351 A381 H385 L386 | A348-T350 PolarHBondContact O-N 2.72Å; A348-C351 VanDerWaalsContact O-CB 3.25Å; A348-C351 WeakPolarHBondContact O-CB 3.2Å; A348-C351 PolarHBondContact O-N 2.72Å; A348-A381 HydrophobicContact CB-CB 3.74Å; A348-H385 CarbonylContact C-O 3.47Å; A348-H385 WeakPolarHBondContact CA-O 3.37Å; A348-H385 HydrophobicContact CB-CB 4.22Å; A348-L386 HydrophobicContact CB-CD2 4.36Å |
| 349 | L | 97.2 | Very high | 97.8 | Very high | 96 Ų | 96 | 37.4 Ų | 37.4 | 50% | 0.503 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54 | -24.7 | 174 | -73.7 | 168 | 0 | 0 | 0 | 113.9 | C351 H385 I387 | L349-C351 VanDerWaalsContact C-N 3.35Å; L349-H385 PolarHBondContact N-O 3.19Å; L349-I387 HydrophobicContact CD1-CG2 4.15Å; L349-I387 HydrophobicContact CD2-CG1 4.07Å; L349-I387 HydrophobicContact CD2-CG2 3.83Å; L349-I387 HydrophobicContact CG-CG1 4.3Å; L349-I387 HydrophobicContact CG-CG2 3.79Å |
| 350 | T | 96.6 | Very high | 97.9 | Very high | 79 Ų | 79 | 31.8 Ų | 31.8 | 49% | 0.485 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.9 | 1.6 | 179 | 47.8 | 0 | 0 | 0 | 0 | 114.1 | A348 | A348-T350 PolarHBondContact O-N 2.72Š|
| 351 | C | 97.9 | Very high | 97.9 | Very high | 11 Ų | 11 | 28.9 Ų | 28.9 | 7% | 0.074 | 16% | 0.16 | C | C | . | . | trans | -84.9 | 128 | 179 | -68 | 0 | 0 | 0 | 0 | 111.6 | A348 L349 H353 | A348-C351 VanDerWaalsContact O-CB 3.25Å; A348-C351 WeakPolarHBondContact O-CB 3.2Å; A348-C351 PolarHBondContact O-N 2.72Å; L349-C351 VanDerWaalsContact C-N 3.35Å; C351-H353 WeakPolarHBondContact CB-NE2 3.44Å; C351-H353 PolarHBondContact SG-NE2 3.19Å | ||
| 352 | S | 96 | Very high | 98 | Very high | 66 Ų | 66 | 25.9 Ų | 25.9 | 46% | 0.462 | 15% | 0.149 | S | C | . | . | trans | -87.4 | -0.3 | 177.8 | 56.3 | 0 | 0 | 0 | 0 | 114.2 | K315 | K315-S352 WeakPolarHBondContact CE-O 3.47Å; K315-S352 PolarHBondContact NZ-O 2.9Å | ||
| 353 | H | 96.6 | Very high | 98 | Very high | 26 Ų | 26 | 25.6 Ų | 25.6 | 12% | 0.12 | 15% | 0.147 | C | C | . | . | trans | -97.7 | 157.6 | 176.6 | 57.7 | 81.4 | 0 | 0 | 0 | 111.6 | R347 C351 Q355 C374 V376 C377 | R347-H353 PolarHBondContact NH1-O 3.16Å; C351-H353 WeakPolarHBondContact CB-NE2 3.44Å; C351-H353 PolarHBondContact SG-NE2 3.19Å; H353-Q355 PolarHBondContact CE1-O 2.79Å; H353-Q355 VanDerWaalsContact CE1-O 3.27Å; H353-Q355 PolarHBondContact ND1-O 2.72Å; H353-C374 PolarHBondContact NE2-SG 3.43Å; H353-V376 HydrophobicContact CB-CG1 4.23Å; H353-C377 PolarHBondContact CD2-SG 3.1Å; H353-C377 PolarHBondContact NE2-SG 2.96Å | ||
| 354 | L | 96.7 | Very high | 98 | Very high | 9 Ų | 9 | 24.8 Ų | 24.8 | 5% | 0.047 | 14% | 0.137 | C | C | . | . | trans | -88.4 | -35 | 176.5 | -172.5 | 61.5 | 0 | 0 | 0 | 112.3 | I312 L329 V331 C356 F392 F407 | I312-L354 HydrophobicContact CD1-CD1 4.33Å; I312-L354 HydrophobicContact CD1-CD2 3.9Å; I312-L354 HydrophobicContact CG1-CD1 4.1Å; I312-L354 HydrophobicContact CG1-CD2 3.44Å; I312-L354 VanDerWaalsContact CG1-CD2 3.44Å; I312-L354 HydrophobicContact CG1-CG 4.44Å; L329-L354 HydrophobicContact CD1-CD2 4.38Å; V331-L354 HydrophobicContact CG1-CB 4.09Å; V331-L354 HydrophobicContact CG1-CD2 3.91Å; V331-L354 HydrophobicContact CG1-CG 4.06Å; L354-C356 PolarHBondContact O-N 2.86Å; L354-F392 HydrophobicContact CD1-CE2 4.04Å; L354-F392 HydrophobicContact CG-CE2 3.94Å; L354-F392 HydrophobicContact CG-CZ 4.23Å; L354-F392 VanDerWaalsContact O-CE2 3.27Å; L354-F392 WeakPolarHBondContact O-CE2 3.5Å; L354-F392 WeakPolarHBondContact O-CZ 3.25Å; L354-F407 HydrophobicContact CD2-CD2 3.66Å; L354-F407 HydrophobicContact CD2-CE2 3.52Å; L354-F407 HydrophobicContact CD2-CZ 4.42Å; L354-F407 HydrophobicContact CG-CE2 4.45Å | ||
| 355 | Q | 98.2 | Very high | 97.9 | Very high | 33 Ų | 33 | 27.7 Ų | 27.7 | 15% | 0.154 | 15% | 0.151 | C | C | . | . | trans | -51.2 | 128.5 | 179 | -177.9 | 60 | 52.4 | 0 | 0 | 111.8 | S332 H353 V376 | S332-Q355 PolarHBondContact O-NE2 3.27Å; S332-Q355 PolarHBondContact O-OE1 3.43Å; H353-Q355 PolarHBondContact CE1-O 2.79Å; H353-Q355 VanDerWaalsContact CE1-O 3.27Å; H353-Q355 PolarHBondContact ND1-O 2.72Å; Q355-V376 HydrophobicContact CB-CG1 4.1Å; Q355-V376 HydrophobicContact CG-CG1 4.33Å; Q355-V376 HydrophobicContact CG-CG2 4.08Å | ||
| 356 | C | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 15% | 0.151 | C | C | . | . | trans | -97 | 162.6 | 175.9 | -71 | 0 | 0 | 0 | 0 | 111.8 | P336 L342 P345 C346 L354 F392 | P336-C356 VanDerWaalsContact CD-O 3.32Å; P336-C356 WeakPolarHBondContact CD-O 3.31Å; L342-C356 HydrophobicContact CD1-CB 4.08Å; P345-C356 HydrophobicContact CB-CB 3.82Å; C346-C356 WeakPolarHBondContact O-CA 3.42Å; L354-C356 PolarHBondContact O-N 2.86Å; C356-F392 HydrophobicContact CB-CD1 4.29Å; C356-F392 HydrophobicContact CB-CE1 4.39Å; C356-F392 HydrophobicContact CB-CG 4.42Å | ||
| 357 | F | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 160.1 | 168.1 | 54.4 | -100.9 | 0 | 0 | 0 | 110.2 | P336 C346 R347 A359 Y362 P375 V376 L386 | P336-F357 HydrophobicContact CG-CB 4.06Å; C346-F357 WeakPolarHBondContact CA-O 3.27Å; C346-F357 HydrophobicContact CB-CD2 4.3Å; C346-F357 HydrophobicContact CB-CE2 4.11Å; C346-F357 WeakPolarHBondContact CB-O 3.38Å; C346-F357 PolarHBondContact N-O 3.35Å; C346-F357 WeakPolarHBondContact O-CD1 3.45Å; C346-F357 PolarHBondContact O-N 3.4Å; R347-F357 HydrophobicContact CB-CE1 4.39Å; F357-A359 PolarHBondContact O-N 3.34Å; F357-Y362 HydrophobicContact CD2-CD1 4.49Å; F357-Y362 HydrophobicContact CD2-CD2 4.05Å; F357-Y362 AromaticContact CD2-CG 3.84Å; F357-Y362 HydrophobicContact CD2-CG 3.84Å; F357-Y362 AromaticContact CE2-CD1 3.68Å; F357-Y362 HydrophobicContact CE2-CD1 3.68Å; F357-Y362 AromaticContact CE2-CD2 3.8Å; F357-Y362 HydrophobicContact CE2-CD2 3.8Å; F357-Y362 HydrophobicContact CE2-CE1 4.21Å; F357-Y362 HydrophobicContact CE2-CE2 4.33Å; F357-Y362 AromaticContact CE2-CG 3.44Å; F357-Y362 HydrophobicContact CE2-CG 3.44Å; F357-Y362 VanDerWaalsContact CE2-CG 3.44Å; F357-Y362 HydrophobicContact CZ-CD1 4.32Å; F357-Y362 HydrophobicContact CZ-CD2 4.35Å; F357-Y362 HydrophobicContact CZ-CE1 4.41Å; F357-Y362 HydrophobicContact CZ-CE2 4.46Å; F357-Y362 HydrophobicContact CZ-CG 4.29Å; F357-P375 HydrophobicContact CB-CG 3.74Å; F357-P375 HydrophobicContact CD1-CG 3.6Å; F357-P375 HydrophobicContact CD2-CG 4.43Å; F357-P375 HydrophobicContact CE1-CG 4.3Å; F357-P375 HydrophobicContact CG-CG 3.67Å; F357-V376 HydrophobicContact CD1-CG2 4.45Å; F357-L386 HydrophobicContact CE2-CD2 4.38Å; F357-L386 HydrophobicContact CZ-CD2 4.04Å |
| 358 | D | 98.7 | Very high | 97.5 | Very high | 7 Ų | 7 | 39.2 Ų | 39.2 | 4% | 0.037 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 125.8 | -178.7 | -166.1 | -85.7 | 0 | 0 | 0 | 111.6 | C335 L342 T343 I344 T360 L361 Y362 | C335-D358 HydrophobicContact CB-CB 4.11Å; C335-D358 PolarHBondContact SG-N 2.73Å; L342-D358 HydrophobicContact CD2-CB 4.14Å; T343-D358 WeakPolarHBondContact CA-OD2 3.39Å; T343-D358 WeakPolarHBondContact CB-OD2 3.48Å; T343-D358 PolarHBondContact N-OD2 3.5Å; I344-D358 PolarHBondContact N-OD2 3.39Å; I344-D358 WeakPolarHBondContact O-CA 3.31Å; D358-T360 VanDerWaalsContact C-N 3.29Å; D358-T360 PolarHBondContact O-N 2.97Å; D358-T360 WeakPolarHBondContact OD1-CA 3.42Å; D358-T360 WeakPolarHBondContact OD1-CB 3.47Å; D358-T360 PolarHBondContact OD1-N 3.36Å; D358-T360 PolarHBondContact OD1-OG1 2.96Å; D358-L361 HydrophobicContact CB-CB 4.5Å; D358-Y362 VanDerWaalsContact O-CB 3.28Å; D358-Y362 WeakPolarHBondContact O-CB 3.25Å; D358-Y362 PolarHBondContact O-N 3.35Å |
| 359 | A | 98.7 | Very high | 97.2 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -59.9 | -37 | -180 | 0 | 0 | 0 | 0 | 0 | 113.4 | L294 L297 I344 C346 F357 I363 | L294-A359 HydrophobicContact CD1-CB 3.72Å; L297-A359 HydrophobicContact CD2-CB 3.79Å; I344-A359 HydrophobicContact CB-CB 3.88Å; I344-A359 HydrophobicContact CG2-CB 3.63Å; I344-A359 PolarHBondContact O-N 2.96Å; C346-A359 HydrophobicContact CB-CB 3.78Å; F357-A359 PolarHBondContact O-N 3.34Å; A359-I363 WeakPolarHBondContact O-CB 3.36Å; A359-I363 VanDerWaalsContact O-CG1 3.24Å; A359-I363 WeakPolarHBondContact O-CG1 3.26Å; A359-I363 PolarHBondContact O-N 3.08Å |
| 360 | T | 98.2 | Very high | 97.1 | Very high | 42 Ų | 42 | 43.5 Ų | 43.5 | 26% | 0.258 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -63 | -55.3 | -176.8 | -42.1 | 0 | 0 | 0 | 0 | 109.7 | L294 I344 D358 Y362 I363 Q364 | L294-T360 HydrophobicContact CD2-CG2 3.98Å; I344-T360 WeakPolarHBondContact CD1-OG1 3.21Å; D358-T360 VanDerWaalsContact C-N 3.29Å; D358-T360 PolarHBondContact O-N 2.97Å; D358-T360 WeakPolarHBondContact OD1-CA 3.42Å; D358-T360 WeakPolarHBondContact OD1-CB 3.47Å; D358-T360 PolarHBondContact OD1-N 3.36Å; D358-T360 PolarHBondContact OD1-OG1 2.96Å; T360-Y362 VanDerWaalsContact C-N 3.33Å; T360-Y362 PolarHBondContact O-N 2.87Å; T360-I363 PolarHBondContact O-N 3.04Å; T360-Q364 WeakPolarHBondContact O-CB 3.41Å; T360-Q364 VanDerWaalsContact O-CG 3.29Å; T360-Q364 WeakPolarHBondContact O-CG 3.42Å; T360-Q364 PolarHBondContact O-N 3.49Å |
| 361 | L | 98.1 | Very high | 97 | Very high | 48 Ų | 48 | 42.1 Ų | 42.1 | 25% | 0.251 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -66.2 | -37.3 | -178.8 | -174.5 | 60 | 0 | 0 | 0 | 111.5 | L337 D358 M365 | L337-L361 HydrophobicContact CB-CD2 3.69Å; L337-L361 HydrophobicContact CB-CG 4.31Å; D358-L361 HydrophobicContact CB-CB 4.5Å; L361-M365 WeakPolarHBondContact O-CB 3.29Å; L361-M365 PolarHBondContact O-N 3.4Å |
| 362 | Y | 98.7 | Very high | 96.9 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -62.5 | -45 | 176.2 | -173.4 | -109 | 0 | 0 | 0 | 112.9 | L337 F357 D358 T360 M365 N366 W372 V373 A381 L386 | L337-Y362 HydrophobicContact CD1-CD2 4.04Å; F357-Y362 HydrophobicContact CD2-CD1 4.49Å; F357-Y362 HydrophobicContact CD2-CD2 4.05Å; F357-Y362 AromaticContact CD2-CG 3.84Å; F357-Y362 HydrophobicContact CD2-CG 3.84Å; F357-Y362 AromaticContact CE2-CD1 3.68Å; F357-Y362 HydrophobicContact CE2-CD1 3.68Å; F357-Y362 AromaticContact CE2-CD2 3.8Å; F357-Y362 HydrophobicContact CE2-CD2 3.8Å; F357-Y362 HydrophobicContact CE2-CE1 4.21Å; F357-Y362 HydrophobicContact CE2-CE2 4.33Å; F357-Y362 AromaticContact CE2-CG 3.44Å; F357-Y362 HydrophobicContact CE2-CG 3.44Å; F357-Y362 VanDerWaalsContact CE2-CG 3.44Å; F357-Y362 HydrophobicContact CZ-CD1 4.32Å; F357-Y362 HydrophobicContact CZ-CD2 4.35Å; F357-Y362 HydrophobicContact CZ-CE1 4.41Å; F357-Y362 HydrophobicContact CZ-CE2 4.46Å; F357-Y362 HydrophobicContact CZ-CG 4.29Å; D358-Y362 VanDerWaalsContact O-CB 3.28Å; D358-Y362 WeakPolarHBondContact O-CB 3.25Å; D358-Y362 PolarHBondContact O-N 3.35Å; T360-Y362 VanDerWaalsContact C-N 3.33Å; T360-Y362 PolarHBondContact O-N 2.87Å; Y362-M365 HydrophobicContact CD2-CE 3.95Å; Y362-M365 HydrophobicContact CE2-CE 3.98Å; Y362-N366 PolarHBondContact O-N 3.34Å; Y362-N366 PolarHBondContact O-ND2 3.41Å; Y362-W372 HydrophobicContact CD1-CZ3 4.4Å; Y362-W372 AromaticContact CE1-CE3 3.77Å; Y362-W372 HydrophobicContact CE1-CE3 3.77Å; Y362-W372 AromaticContact CE1-CZ3 3.86Å; Y362-W372 HydrophobicContact CE1-CZ3 3.86Å; Y362-W372 WeakPolarHBondContact OH-CA 3.38Å; Y362-V373 WeakPolarHBondContact CE2-O 3.29Å; Y362-V373 PolarHBondContact OH-N 3.5Å; Y362-V373 PolarHBondContact OH-O 3.09Å; Y362-V373 VanDerWaalsContact OH-O 3.06Å; Y362-A381 PolarHBondContact OH-O 3.22Å; Y362-A381 VanDerWaalsContact OH-O 3.1Å; Y362-L386 HydrophobicContact CD1-CD1 3.91Å; Y362-L386 HydrophobicContact CD1-CD2 4.33Å; Y362-L386 HydrophobicContact CE1-CD1 3.93Å; Y362-L386 HydrophobicContact CE1-CD2 3.95Å |
| 363 | I | 98.6 | Very high | 97.1 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -70.4 | -43.9 | 178.8 | -65.9 | 171.1 | 0 | 0 | 0 | 110 | F143 L293 L294 L297 A359 T360 M365 N366 E367 Y383 | F143-I363 HydrophobicContact CE1-CG2 4.24Å; F143-I363 HydrophobicContact CZ-CG2 3.93Å; F143-I363 WeakPolarHBondContact CZ-O 3.14Å; L293-I363 HydrophobicContact CB-CD1 4.43Å; L293-I363 HydrophobicContact CB-CG2 3.84Å; L293-I363 HydrophobicContact CD1-CG2 4.32Å; L294-I363 HydrophobicContact CB-CD1 4.47Å; L294-I363 HydrophobicContact CD1-CD1 3.96Å; L297-I363 HydrophobicContact CD2-CD1 4.08Å; A359-I363 WeakPolarHBondContact O-CB 3.36Å; A359-I363 VanDerWaalsContact O-CG1 3.24Å; A359-I363 WeakPolarHBondContact O-CG1 3.26Å; A359-I363 PolarHBondContact O-N 3.08Å; T360-I363 PolarHBondContact O-N 3.04Å; I363-M365 VanDerWaalsContact C-N 3.3Å; I363-M365 PolarHBondContact O-N 2.92Å; I363-N366 CarbonylContact O-C 3.5Å; I363-N366 PolarHBondContact O-N 3.5Å; I363-N366 VanDerWaalsContact O-N 3.08Å; I363-E367 PolarHBondContact O-N 3.44Å; I363-Y383 HydrophobicContact CD1-CE2 4.22Å |
| 364 | Q | 97.6 | Very high | 97.1 | Very high | 82 Ų | 82 | 40.7 Ų | 40.7 | 38% | 0.383 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -58.5 | -38.2 | 175.2 | -74.8 | 173.7 | -13.1 | 0 | 0 | 113.2 | T360 E367 K368 | T360-Q364 WeakPolarHBondContact O-CB 3.41Å; T360-Q364 VanDerWaalsContact O-CG 3.29Å; T360-Q364 WeakPolarHBondContact O-CG 3.42Å; T360-Q364 PolarHBondContact O-N 3.49Å; Q364-E367 WeakPolarHBondContact O-CB 3.45Å; Q364-E367 PolarHBondContact O-N 2.85Å; Q364-K368 PolarHBondContact O-N 3.36Å |
| 365 | M | 97 | Very high | 97.2 | Very high | 67 Ų | 67 | 42 Ų | 42 | 33% | 0.33 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -63.5 | -44.2 | 173.6 | -178.4 | -178.7 | 66.7 | 0 | 0 | 111.3 | L337 L361 Y362 I363 E367 K368 K369 | L337-M365 HydrophobicContact CD1-CE 4.23Å; L337-M365 HydrophobicContact CD2-CE 4.35Å; L337-M365 HydrophobicContact CD2-SD 4.09Å; L361-M365 WeakPolarHBondContact O-CB 3.29Å; L361-M365 PolarHBondContact O-N 3.4Å; Y362-M365 HydrophobicContact CD2-CE 3.95Å; Y362-M365 HydrophobicContact CE2-CE 3.98Å; I363-M365 VanDerWaalsContact C-N 3.3Å; I363-M365 PolarHBondContact O-N 2.92Å; M365-E367 VanDerWaalsContact C-N 3.33Å; M365-E367 PolarHBondContact O-N 3.37Å; M365-K368 PolarHBondContact O-N 3.1Å; M365-K369 PolarHBondContact O-N 2.82Å |
| 366 | N | 97.7 | Very high | 97.2 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -72.4 | -23.8 | 179.6 | -78.9 | -78.4 | 0 | 0 | 0 | 113.5 | F143 Y362 I363 K369 P370 T371 W372 | F143-N366 HydrophobicContact CE2-CB 4.06Å; F143-N366 HydrophobicContact CZ-CB 4.4Å; Y362-N366 PolarHBondContact O-N 3.34Å; Y362-N366 PolarHBondContact O-ND2 3.41Å; I363-N366 CarbonylContact O-C 3.5Å; I363-N366 PolarHBondContact O-N 3.5Å; I363-N366 VanDerWaalsContact O-N 3.08Å; N366-K369 CarbonylContact O-C 3.57Å; N366-P370 WeakPolarHBondContact O-CA 3.43Å; N366-P370 WeakPolarHBondContact O-CB 3.47Å; N366-P370 VanDerWaalsContact O-CD 3.29Å; N366-P370 WeakPolarHBondContact O-CD 3.29Å; N366-T371 PolarHBondContact OD1-N 3.41Å; N366-T371 VanDerWaalsContact OD1-N 3.1Å; N366-W372 HydrophobicContact CB-CD2 4.23Å; N366-W372 HydrophobicContact CB-CE3 4.16Å; N366-W372 HydrophobicContact CB-CH2 3.78Å; N366-W372 HydrophobicContact CB-CZ2 3.86Å; N366-W372 HydrophobicContact CB-CZ3 3.93Å; N366-W372 WeakPolarHBondContact OD1-CA 3.36Å; N366-W372 PolarHBondContact OD1-N 3.19Å |
| 367 | E | 95.7 | Very high | 97.2 | Very high | 70 Ų | 70 | 44.6 Ų | 44.6 | 33% | 0.327 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -62.5 | -46.3 | 171.5 | -172.7 | 169.7 | -142.8 | 0 | 0 | 110.7 | F143 S289 S290 I363 Q364 M365 | F143-E367 HydrophobicContact CD1-CB 4.31Å; F143-E367 HydrophobicContact CD1-CG 4.16Å; F143-E367 HydrophobicContact CE1-CB 3.45Å; F143-E367 VanDerWaalsContact CE1-CB 3.45Å; F143-E367 HydrophobicContact CE1-CG 3.68Å; F143-E367 HydrophobicContact CE2-CB 4.43Å; F143-E367 HydrophobicContact CZ-CB 3.55Å; F143-E367 HydrophobicContact CZ-CG 4.28Å; S289-E367 WeakPolarHBondContact CA-OE1 3.45Å; S290-E367 WeakPolarHBondContact CB-OE2 3.31Å; S290-E367 PolarHBondContact N-OE1 2.94Å; S290-E367 PolarHBondContact N-OE2 3.08Å; S290-E367 PolarHBondContact OG-OE2 3.39Å; I363-E367 PolarHBondContact O-N 3.44Å; Q364-E367 WeakPolarHBondContact O-CB 3.45Å; Q364-E367 PolarHBondContact O-N 2.85Å; M365-E367 VanDerWaalsContact C-N 3.33Å; M365-E367 PolarHBondContact O-N 3.37Å |
| 368 | K | 93.3 | Very high | 97.1 | Very high | 186 Ų | 186 | 50.8 Ų | 50.8 | 81% | 0.809 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -72.3 | -42.1 | 176.3 | -64.3 | 178.3 | -179.4 | 177.2 | 0 | 112.3 | Q364 M365 | Q364-K368 PolarHBondContact O-N 3.36Å; M365-K368 PolarHBondContact O-N 3.1Å |
| 369 | K | 92.8 | Very high | 97.1 | Very high | 130 Ų | 130 | 55.7 Ų | 55.7 | 57% | 0.565 | 28% | 0.283 | S | S | * | . | S | Bend | trans | -145.6 | 92.2 | -177 | -168.9 | -173.4 | 179.6 | -178.4 | 0 | 110.2 | M365 N366 T371 | M365-K369 PolarHBondContact O-N 2.82Å; N366-K369 CarbonylContact O-C 3.57Å; K369-T371 HydrophobicContact CD-CG2 4.2Å; K369-T371 HydrophobicContact CG-CG2 4.03Å; K369-T371 PolarHBondContact O-N 3.4Å |
| 370 | P | 93.9 | Very high | 97 | Very high | 58 Ų | 58 | 61.7 Ų | 61.7 | 38% | 0.377 | 31% | 0.309 | S | S | . | . | trans | -72.7 | 90.7 | -175.6 | 26.8 | -34.3 | 0 | 0 | 0 | 111.1 | N366 | N366-P370 WeakPolarHBondContact O-CA 3.43Å; N366-P370 WeakPolarHBondContact O-CB 3.47Å; N366-P370 VanDerWaalsContact O-CD 3.29Å; N366-P370 WeakPolarHBondContact O-CD 3.29Å | ||
| 371 | T | 94.7 | Very high | 97 | Very high | 50 Ų | 50 | 59.7 Ų | 59.7 | 31% | 0.307 | 30% | 0.297 | S | S | . | . | trans | -98 | -33.5 | 176.1 | 57.1 | 0 | 0 | 0 | 0 | 111.8 | N366 K369 K380 | N366-T371 PolarHBondContact OD1-N 3.41Å; N366-T371 VanDerWaalsContact OD1-N 3.1Å; K369-T371 HydrophobicContact CD-CG2 4.2Å; K369-T371 HydrophobicContact CG-CG2 4.03Å; K369-T371 PolarHBondContact O-N 3.4Å; T371-K380 PolarHBondContact O-NZ 3.31Å | ||
| 372 | W | 97.4 | Very high | 97 | Very high | 30 Ų | 30 | 58.6 Ų | 58.6 | 11% | 0.114 | 29% | 0.293 | C | S | . | . | trans | 50.9 | 51.7 | -175.3 | -58.3 | 108.2 | 0 | 0 | 0 | 112.7 | P142 F143 Y362 N366 K380 A381 Y383 L386 | P142-W372 HydrophobicContact CB-CH2 4.23Å; P142-W372 HydrophobicContact CB-CZ2 3.78Å; P142-W372 HydrophobicContact CG-CH2 4.35Å; P142-W372 HydrophobicContact CG-CZ2 3.68Å; F143-W372 AromaticContact CD2-CZ2 3.99Å; F143-W372 HydrophobicContact CD2-CZ2 3.99Å; F143-W372 AromaticContact CE2-CH2 3.86Å; F143-W372 HydrophobicContact CE2-CH2 3.86Å; F143-W372 AromaticContact CE2-CZ2 3.47Å; F143-W372 HydrophobicContact CE2-CZ2 3.47Å; F143-W372 VanDerWaalsContact CE2-CZ2 3.47Å; F143-W372 HydrophobicContact CZ-CH2 4.42Å; F143-W372 HydrophobicContact CZ-CZ2 4.43Å; Y362-W372 HydrophobicContact CD1-CZ3 4.4Å; Y362-W372 AromaticContact CE1-CE3 3.77Å; Y362-W372 HydrophobicContact CE1-CE3 3.77Å; Y362-W372 AromaticContact CE1-CZ3 3.86Å; Y362-W372 HydrophobicContact CE1-CZ3 3.86Å; Y362-W372 WeakPolarHBondContact OH-CA 3.38Å; N366-W372 HydrophobicContact CB-CD2 4.23Å; N366-W372 HydrophobicContact CB-CE3 4.16Å; N366-W372 HydrophobicContact CB-CH2 3.78Å; N366-W372 HydrophobicContact CB-CZ2 3.86Å; N366-W372 HydrophobicContact CB-CZ3 3.93Å; N366-W372 WeakPolarHBondContact OD1-CA 3.36Å; N366-W372 PolarHBondContact OD1-N 3.19Å; W372-K380 WeakPolarHBondContact O-CA 3.32Å; W372-A381 PolarHBondContact O-N 2.93Å; W372-Y383 HydrophobicContact CH2-CD2 4.24Å; W372-Y383 HydrophobicContact CH2-CG 4.36Å; W372-Y383 HydrophobicContact CZ3-CD2 4.41Å; W372-L386 HydrophobicContact CZ3-CD1 4.37Å | ||
| 373 | V | 98.2 | Very high | 96.9 | Very high | 43 Ų | 43 | 59.5 Ų | 59.5 | 26% | 0.261 | 30% | 0.296 | S | S | . | . | B | Isolated β-bridge | trans | -112.5 | 135.6 | 178.6 | 173.3 | 0 | 0 | 0 | 0 | 109.3 | Y362 D378 | Y362-V373 WeakPolarHBondContact CE2-O 3.29Å; Y362-V373 PolarHBondContact OH-N 3.5Å; Y362-V373 PolarHBondContact OH-O 3.09Å; Y362-V373 VanDerWaalsContact OH-O 3.06Å; V373-D378 HydrophobicContact CG1-CB 4.26Å; V373-D378 WeakPolarHBondContact CG1-O 3.13Å |
| 374 | C | 98.6 | Very high | 96.8 | Very high | 0 Ų | 0 | 63.6 Ų | 63.6 | 0% | 0 | 32% | 0.316 | C | S | . | . | trans | -72.6 | 125.9 | 179.3 | -177.8 | 0 | 0 | 0 | 0 | 110.9 | H353 V376 C377 D378 K379 A381 | H353-C374 PolarHBondContact NE2-SG 3.43Å; C374-V376 PolarHBondContact O-N 3.02Å; C374-V376 VanDerWaalsContact O-N 3.08Å; C374-C377 PolarHBondContact O-N 3.39Å; C374-D378 WeakPolarHBondContact O-CA 3.44Å; C374-D378 PolarHBondContact O-N 3.45Å; C374-K379 WeakPolarHBondContact CB-O 3.47Å; C374-K379 PolarHBondContact N-O 3.08Å; C374-A381 HydrophobicContact CB-CB 3.96Å | ||
| 375 | P | 98.2 | Very high | 96.8 | Very high | 37 Ų | 37 | 63.4 Ų | 63.4 | 24% | 0.24 | 31% | 0.314 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.6 | 5.5 | -178.1 | 34.9 | -40.8 | 0 | 0 | 0 | 115.1 | L337 F357 | L337-P375 HydrophobicContact CD1-CB 3.98Å; L337-P375 HydrophobicContact CD1-CG 3.79Å; L337-P375 HydrophobicContact CD2-CB 3.55Å; L337-P375 HydrophobicContact CD2-CG 4.3Å; L337-P375 HydrophobicContact CG-CB 3.49Å; L337-P375 VanDerWaalsContact CG-CB 3.49Å; L337-P375 HydrophobicContact CG-CG 3.73Å; F357-P375 HydrophobicContact CB-CG 3.74Å; F357-P375 HydrophobicContact CD1-CG 3.6Å; F357-P375 HydrophobicContact CD2-CG 4.43Å; F357-P375 HydrophobicContact CE1-CG 4.3Å; F357-P375 HydrophobicContact CG-CG 3.67Å |
| 376 | V | 98.4 | Very high | 96.9 | Very high | 49 Ų | 49 | 60.3 Ų | 60.3 | 30% | 0.297 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.2 | -26.7 | -180 | 177.9 | 0 | 0 | 0 | 0 | 112.1 | P336 H353 Q355 F357 C374 | P336-V376 HydrophobicContact CG-CG2 3.76Å; H353-V376 HydrophobicContact CB-CG1 4.23Å; Q355-V376 HydrophobicContact CB-CG1 4.1Å; Q355-V376 HydrophobicContact CG-CG1 4.33Å; Q355-V376 HydrophobicContact CG-CG2 4.08Å; F357-V376 HydrophobicContact CD1-CG2 4.45Å; C374-V376 PolarHBondContact O-N 3.02Å; C374-V376 VanDerWaalsContact O-N 3.08Å |
| 377 | C | 97.9 | Very high | 96.9 | Very high | 37 Ų | 37 | 61.6 Ų | 61.6 | 25% | 0.25 | 31% | 0.306 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -145.7 | 9.6 | -174.1 | 66.7 | 0 | 0 | 0 | 0 | 114.8 | H353 C374 K379 | H353-C377 PolarHBondContact CD2-SG 3.1Å; H353-C377 PolarHBondContact NE2-SG 2.96Å; C374-C377 PolarHBondContact O-N 3.39Å; C377-K379 PolarHBondContact O-N 3.45Å |
| 378 | D | 97.7 | Very high | 97.1 | Very high | 130 Ų | 130 | 58.5 Ų | 58.5 | 70% | 0.695 | 29% | 0.291 | S | S | * | . | trans | 54 | 7.4 | 178.4 | -61.3 | -54 | 0 | 0 | 0 | 117.2 | V373 C374 | V373-D378 HydrophobicContact CG1-CB 4.26Å; V373-D378 WeakPolarHBondContact CG1-O 3.13Å; C374-D378 WeakPolarHBondContact O-CA 3.44Å; C374-D378 PolarHBondContact O-N 3.45Å | ||
| 379 | K | 97.8 | Very high | 97.3 | Very high | 110 Ų | 110 | 49.7 Ų | 49.7 | 48% | 0.478 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -73.6 | 155.8 | 171.9 | -65.9 | 174.5 | -172 | 176.6 | 0 | 110.7 | C374 C377 A381 | C374-K379 WeakPolarHBondContact CB-O 3.47Å; C374-K379 PolarHBondContact N-O 3.08Å; C377-K379 PolarHBondContact O-N 3.45Å; K379-A381 PolarHBondContact O-N 2.98Å |
| 380 | K | 97 | Very high | 97.6 | Very high | 126 Ų | 126 | 43.7 Ų | 43.7 | 55% | 0.548 | 23% | 0.228 | S | C | . | . | B | Isolated β-bridge | trans | -59.3 | 128.6 | 174.3 | -75.6 | -73.6 | -174 | 169 | 0 | 111.3 | T371 W372 | T371-K380 PolarHBondContact O-NZ 3.31Å; W372-K380 WeakPolarHBondContact O-CA 3.32Å |
| 381 | A | 98 | Very high | 97.7 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 21% | 0.211 | C | C | . | . | trans | -130 | 68.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 110 | A348 Y362 W372 C374 K379 | A348-A381 HydrophobicContact CB-CB 3.74Å; Y362-A381 PolarHBondContact OH-O 3.22Å; Y362-A381 VanDerWaalsContact OH-O 3.1Å; W372-A381 PolarHBondContact O-N 2.93Å; C374-A381 HydrophobicContact CB-CB 3.96Å; K379-A381 PolarHBondContact O-N 2.98Å | ||
| 382 | P | 97.1 | Very high | 97.9 | Very high | 26 Ų | 26 | 38.7 Ų | 38.7 | 17% | 0.169 | 20% | 0.196 | C | C | . | . | trans | -64.4 | 149.4 | 179 | 30.1 | -35.9 | 0 | 0 | 0 | 111.3 | E384 H385 L386 | P382-E384 PolarHBondContact O-N 2.64Å; P382-E384 VanDerWaalsContact O-N 3.11Å; P382-H385 HydrophobicContact CG-CB 4.14Å; P382-H385 PolarHBondContact O-N 2.88Å; P382-L386 PolarHBondContact O-N 3.12Å | ||
| 383 | Y | 98.2 | Very high | 97.9 | Very high | 19 Ų | 19 | 40.4 Ų | 40.4 | 8% | 0.075 | 21% | 0.207 | C | C | . | . | G | 310 helix | trans | -52.8 | -34.9 | -176.9 | 176.4 | -100.9 | 0 | 0 | 0 | 113.8 | P142 L293 R296 L297 K300 I363 W372 H385 L386 | P142-Y383 HydrophobicContact CB-CD1 3.92Å; P142-Y383 HydrophobicContact CB-CG 3.81Å; P142-Y383 VanDerWaalsContact CG-CB 3.46Å; P142-Y383 HydrophobicContact CG-CD1 4.3Å; P142-Y383 HydrophobicContact CG-CG 4.11Å; L293-Y383 HydrophobicContact CB-CE2 4.26Å; L293-Y383 HydrophobicContact CD2-CD1 4.02Å; L293-Y383 HydrophobicContact CD2-CD2 3.97Å; L293-Y383 HydrophobicContact CD2-CE1 3.59Å; L293-Y383 HydrophobicContact CD2-CE2 3.54Å; L293-Y383 HydrophobicContact CD2-CG 4.2Å; L293-Y383 HydrophobicContact CG-CE2 4.5Å; L293-Y383 PolarHBondContact O-OH 3.45Å; L293-Y383 VanDerWaalsContact O-OH 3.06Å; R296-Y383 VanDerWaalsContact CB-OH 3.31Å; R296-Y383 WeakPolarHBondContact CB-OH 3.39Å; L297-Y383 HydrophobicContact CB-CE2 4.23Å; L297-Y383 PolarHBondContact N-OH 3.07Å; K300-Y383 PolarHBondContact NZ-O 3.37Å; I363-Y383 HydrophobicContact CD1-CE2 4.22Å; W372-Y383 HydrophobicContact CH2-CD2 4.24Å; W372-Y383 HydrophobicContact CH2-CG 4.36Å; W372-Y383 HydrophobicContact CZ3-CD2 4.41Å; Y383-H385 PolarHBondContact O-N 2.92Å; Y383-L386 HydrophobicContact CD2-CD1 3.97Å; Y383-L386 PolarHBondContact O-N 3.45Å |
| 384 | E | 96.3 | Very high | 97.8 | Very high | 86 Ų | 86 | 41.9 Ų | 41.9 | 40% | 0.402 | 21% | 0.21 | S | C | . | . | G | 310 helix | trans | -59.3 | -37.9 | 178.6 | -67 | 65.2 | -142.2 | 0 | 0 | 111.3 | K300 P382 | K300-E384 PolarHBondContact NZ-O 2.74Å; K300-E384 VanDerWaalsContact NZ-O 3.13Å; P382-E384 PolarHBondContact O-N 2.64Å; P382-E384 VanDerWaalsContact O-N 3.11Å |
| 385 | H | 97.4 | Very high | 97.7 | Very high | 78 Ų | 78 | 41.9 Ų | 41.9 | 36% | 0.361 | 21% | 0.211 | S | C | . | . | G | 310 helix | trans | -88.7 | -5.5 | -177 | -64.8 | -177.8 | 0 | 0 | 0 | 114.1 | A348 L349 P382 Y383 | A348-H385 CarbonylContact C-O 3.47Å; A348-H385 WeakPolarHBondContact CA-O 3.37Å; A348-H385 HydrophobicContact CB-CB 4.22Å; L349-H385 PolarHBondContact N-O 3.19Å; P382-H385 HydrophobicContact CG-CB 4.14Å; P382-H385 PolarHBondContact O-N 2.88Å; Y383-H385 PolarHBondContact O-N 2.92Å |
| 386 | L | 98.5 | Very high | 97.7 | Very high | 1 Ų | 1 | 41.4 Ų | 41.4 | 1% | 0.005 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.9 | 133.2 | 177.7 | -62.7 | -178.9 | 0 | 0 | 0 | 111.1 | L297 A348 F357 Y362 W372 P382 Y383 | L297-L386 HydrophobicContact CD1-CB 3.87Å; L297-L386 WeakPolarHBondContact CD1-O 3.36Å; L297-L386 HydrophobicContact CD2-CB 4.46Å; A348-L386 HydrophobicContact CB-CD2 4.36Å; F357-L386 HydrophobicContact CE2-CD2 4.38Å; F357-L386 HydrophobicContact CZ-CD2 4.04Å; Y362-L386 HydrophobicContact CD1-CD1 3.91Å; Y362-L386 HydrophobicContact CD1-CD2 4.33Å; Y362-L386 HydrophobicContact CE1-CD1 3.93Å; Y362-L386 HydrophobicContact CE1-CD2 3.95Å; W372-L386 HydrophobicContact CZ3-CD1 4.37Å; P382-L386 PolarHBondContact O-N 3.12Å; Y383-L386 HydrophobicContact CD2-CD1 3.97Å; Y383-L386 PolarHBondContact O-N 3.45Å |
| 387 | I | 98.5 | Very high | 97.5 | Very high | 28 Ų | 28 | 46.9 Ų | 46.9 | 14% | 0.144 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 154.3 | 171.1 | 55 | 76.8 | 0 | 0 | 0 | 110.7 | R303 C346 R347 L349 D389 | R303-I387 HydrophobicContact CB-CB 4.37Å; R303-I387 HydrophobicContact CB-CD1 4.4Å; C346-I387 VanDerWaalsContact CA-O 3.32Å; C346-I387 WeakPolarHBondContact CA-O 3.49Å; C346-I387 PolarHBondContact SG-O 3.37Å; R347-I387 HydrophobicContact CG-CD1 3.78Å; R347-I387 PolarHBondContact N-O 2.95Å; R347-I387 PolarHBondContact O-N 2.86Å; L349-I387 HydrophobicContact CD1-CG2 4.15Å; L349-I387 HydrophobicContact CD2-CG1 4.07Å; L349-I387 HydrophobicContact CD2-CG2 3.83Å; L349-I387 HydrophobicContact CG-CG1 4.3Å; L349-I387 HydrophobicContact CG-CG2 3.79Å; I387-D389 HydrophobicContact CD1-CB 4.46Å |
| 388 | I | 98.7 | Very high | 97.3 | Very high | 5 Ų | 5 | 53.3 Ų | 53.3 | 3% | 0.026 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 127.4 | 168.1 | -57.7 | 173.8 | 0 | 0 | 0 | 107 | L297 R298 I302 R303 I344 P345 G390 M393 | L297-I388 HydrophobicContact CG-CD1 4.35Å; L297-I388 HydrophobicContact CG-CG1 4.23Å; R298-I388 HydrophobicContact CB-CD1 4.49Å; R298-I388 HydrophobicContact CG-CD1 4Å; I302-I388 HydrophobicContact CG1-CB 4.47Å; I302-I388 HydrophobicContact CG1-CG2 4.19Å; I302-I388 HydrophobicContact CG2-CG2 4.36Å; R303-I388 VanDerWaalsContact CB-O 3.25Å; R303-I388 WeakPolarHBondContact CB-O 3.43Å; R303-I388 PolarHBondContact N-O 2.9Å; I344-I388 HydrophobicContact CG2-CD1 3.89Å; I344-I388 HydrophobicContact CG2-CG1 3.94Å; I344-I388 HydrophobicContact CG2-CG2 4.17Å; P345-I388 WeakPolarHBondContact O-CA 3.37Å; I388-G390 PolarHBondContact O-N 3.13Å; I388-M393 HydrophobicContact CG2-CG 3.82Å; I388-M393 HydrophobicContact CG2-SD 4.09Å |
| 389 | D | 98.5 | Very high | 97.1 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 112.1 | -173.1 | -159.4 | -63.1 | 0 | 0 | 0 | 111.7 | S308 P345 R347 I387 L391 F392 M393 | S308-D389 PolarHBondContact OG-OD1 2.92Å; S308-D389 PolarHBondContact OG-OD2 3.22Å; P345-D389 PolarHBondContact O-N 2.87Å; R347-D389 IonicContact CZ-OD2 3.04Å; R347-D389 IonicContact NE-OD2 3.32Å; R347-D389 PolarHBondContact NE-OD2 2.73Å; R347-D389 IonicContact NH2-OD2 2.72Å; R347-D389 PolarHBondContact NH2-OD2 2.82Å; I387-D389 HydrophobicContact CD1-CB 4.46Å; D389-L391 VanDerWaalsContact C-N 3.3Å; D389-L391 PolarHBondContact O-N 3.04Å; D389-L391 PolarHBondContact OD1-N 2.81Å; D389-F392 HydrophobicContact CB-CB 4.32Å; D389-F392 HydrophobicContact CB-CD2 4.26Å; D389-F392 PolarHBondContact O-N 2.91Å; D389-M393 WeakPolarHBondContact O-CG 3.41Å; D389-M393 PolarHBondContact O-N 2.83Å |
| 390 | G | 97.9 | Very high | 96.8 | Very high | 4 Ų | 4 | 47 Ų | 47 | 4% | 0.041 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -62.9 | -32.7 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | R303 I388 M393 E394 | R303-G390 WeakPolarHBondContact O-CA 3.48Å; R303-G390 PolarHBondContact O-N 3Å; I388-G390 PolarHBondContact O-N 3.13Å; G390-M393 WeakPolarHBondContact O-CB 3.41Å; G390-M393 PolarHBondContact O-N 2.88Å; G390-E394 WeakPolarHBondContact O-CG 3.2Å; G390-E394 PolarHBondContact O-N 3.02Å |
| 391 | L | 97 | Very high | 96.5 | Very high | 4 Ų | 4 | 45.7 Ų | 45.7 | 2% | 0.021 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -71.4 | -41.4 | -179.8 | -178.1 | 62.2 | 0 | 0 | 0 | 110.8 | P305 R309 I312 D389 E394 I395 F407 | P305-L391 HydrophobicContact CB-CB 3.94Å; P305-L391 HydrophobicContact CB-CD1 4.42Å; R309-L391 HydrophobicContact CG-CD1 4.32Å; R309-L391 HydrophobicContact CG-CD2 4.11Å; I312-L391 HydrophobicContact CD1-CD2 3.43Å; I312-L391 VanDerWaalsContact CD1-CD2 3.43Å; D389-L391 VanDerWaalsContact C-N 3.3Å; D389-L391 PolarHBondContact O-N 3.04Å; D389-L391 PolarHBondContact OD1-N 2.81Å; L391-E394 PolarHBondContact O-N 3.48Å; L391-I395 HydrophobicContact CD1-CD1 4.02Å; L391-I395 HydrophobicContact CD1-CG1 4.5Å; L391-I395 HydrophobicContact CG-CD1 3.81Å; L391-I395 WeakPolarHBondContact O-CB 3.31Å; L391-I395 WeakPolarHBondContact O-CD1 3.23Å; L391-I395 WeakPolarHBondContact O-CG1 3.31Å; L391-I395 PolarHBondContact O-N 3.17Å; L391-F407 HydrophobicContact CD2-CE1 3.87Å; L391-F407 HydrophobicContact CD2-CZ 3.97Å; L391-F407 HydrophobicContact CG-CE1 4.43Å; L391-F407 HydrophobicContact CG-CZ 4.45Å |
| 392 | F | 97.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -67.7 | -35.1 | 172.4 | -80.2 | -104.3 | 0 | 0 | 0 | 112 | V331 L333 L342 P345 L354 C356 D389 E394 I395 L396 | V331-F392 HydrophobicContact CB-CE1 4.44Å; V331-F392 HydrophobicContact CB-CZ 4.14Å; V331-F392 HydrophobicContact CG1-CZ 4.35Å; V331-F392 HydrophobicContact CG2-CE1 3.93Å; V331-F392 HydrophobicContact CG2-CZ 3.74Å; L333-F392 HydrophobicContact CD2-CD1 4.05Å; L333-F392 HydrophobicContact CD2-CE1 4.26Å; L342-F392 HydrophobicContact CD1-CD1 4.2Å; P345-F392 HydrophobicContact CB-CB 3.41Å; P345-F392 VanDerWaalsContact CB-CB 3.41Å; P345-F392 HydrophobicContact CB-CD1 4.49Å; P345-F392 HydrophobicContact CB-CG 4.16Å; P345-F392 HydrophobicContact CG-CB 3.57Å; L354-F392 HydrophobicContact CD1-CE2 4.04Å; L354-F392 HydrophobicContact CG-CE2 3.94Å; L354-F392 HydrophobicContact CG-CZ 4.23Å; L354-F392 VanDerWaalsContact O-CE2 3.27Å; L354-F392 WeakPolarHBondContact O-CE2 3.5Å; L354-F392 WeakPolarHBondContact O-CZ 3.25Å; C356-F392 HydrophobicContact CB-CD1 4.29Å; C356-F392 HydrophobicContact CB-CE1 4.39Å; C356-F392 HydrophobicContact CB-CG 4.42Å; D389-F392 HydrophobicContact CB-CB 4.32Å; D389-F392 HydrophobicContact CB-CD2 4.26Å; D389-F392 PolarHBondContact O-N 2.91Å; F392-E394 VanDerWaalsContact C-N 3.34Å; F392-E394 PolarHBondContact O-N 2.92Å; F392-I395 PolarHBondContact O-N 3.49Å; F392-L396 VanDerWaalsContact O-CB 3.29Å; F392-L396 WeakPolarHBondContact O-CB 3.12Å; F392-L396 WeakPolarHBondContact O-CD1 3.29Å; F392-L396 WeakPolarHBondContact O-CG 3.42Å; F392-L396 PolarHBondContact O-N 3.26Å |
| 393 | M | 97.4 | Very high | 96.2 | Very high | 66 Ų | 66 | 48.6 Ų | 48.6 | 33% | 0.325 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -60.1 | -43 | 173.2 | -76.9 | -67.3 | -57.7 | 0 | 0 | 112 | I302 P345 I388 D389 G390 K397 | I302-M393 HydrophobicContact CD1-CE 4.23Å; I302-M393 HydrophobicContact CD1-CG 4.37Å; I302-M393 HydrophobicContact CG2-CG 4.27Å; P345-M393 WeakPolarHBondContact CD-SD 3.43Å; P345-M393 HydrophobicContact CG-CG 3.83Å; P345-M393 HydrophobicContact CG-SD 3.9Å; I388-M393 HydrophobicContact CG2-CG 3.82Å; I388-M393 HydrophobicContact CG2-SD 4.09Å; D389-M393 WeakPolarHBondContact O-CG 3.41Å; D389-M393 PolarHBondContact O-N 2.83Å; G390-M393 WeakPolarHBondContact O-CB 3.41Å; G390-M393 PolarHBondContact O-N 2.88Å; M393-K397 PolarHBondContact O-N 3.15Å |
| 394 | E | 96.6 | Very high | 96.1 | Very high | 73 Ų | 73 | 50.9 Ų | 50.9 | 34% | 0.341 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -62 | -52.3 | 173.1 | -73.7 | 172 | -178.9 | 0 | 0 | 110.8 | P305 R309 G390 L391 F392 L396 K397 Y398 | P305-E394 WeakPolarHBondContact CG-OE1 3.4Å; R309-E394 IonicContact CZ-OE2 2.65Å; R309-E394 IonicContact NH2-OE2 2.67Å; R309-E394 PolarHBondContact NH2-OE2 2.72Å; G390-E394 WeakPolarHBondContact O-CG 3.2Å; G390-E394 PolarHBondContact O-N 3.02Å; L391-E394 PolarHBondContact O-N 3.48Å; F392-E394 VanDerWaalsContact C-N 3.34Å; F392-E394 PolarHBondContact O-N 2.92Å; E394-L396 PolarHBondContact O-N 2.98Å; E394-K397 WeakPolarHBondContact O-CB 3.41Å; E394-K397 PolarHBondContact O-N 3.07Å; E394-K397 VanDerWaalsContact O-N 3.08Å; E394-Y398 WeakPolarHBondContact O-CD2 3.33Å; E394-Y398 PolarHBondContact O-N 2.65Å |
| 395 | I | 97 | Very high | 96.1 | Very high | 1 Ų | 1 | 46.8 Ų | 46.8 | 1% | 0.005 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -62.2 | -42.3 | -175.9 | -68.3 | 164.5 | 0 | 0 | 0 | 111.9 | L333 L391 F392 K397 Y398 C399 I405 F407 W413 | L333-I395 HydrophobicContact CD1-CG2 3.98Å; L333-I395 HydrophobicContact CD2-CG2 3.86Å; L391-I395 HydrophobicContact CD1-CD1 4.02Å; L391-I395 HydrophobicContact CD1-CG1 4.5Å; L391-I395 HydrophobicContact CG-CD1 3.81Å; L391-I395 WeakPolarHBondContact O-CB 3.31Å; L391-I395 WeakPolarHBondContact O-CD1 3.23Å; L391-I395 WeakPolarHBondContact O-CG1 3.31Å; L391-I395 PolarHBondContact O-N 3.17Å; F392-I395 PolarHBondContact O-N 3.49Å; I395-K397 PolarHBondContact O-N 2.9Å; I395-Y398 PolarHBondContact O-N 3.17Å; I395-C399 HydrophobicContact CG2-CB 4.35Å; I395-C399 VanDerWaalsContact O-CB 3.31Å; I395-C399 WeakPolarHBondContact O-CB 3.4Å; I395-C399 PolarHBondContact O-N 2.88Å; I395-I405 HydrophobicContact CD1-CD1 3.77Å; I395-I405 HydrophobicContact CG2-CD1 3.98Å; I395-I405 HydrophobicContact CG2-CG2 4.3Å; I395-F407 HydrophobicContact CD1-CE1 3.73Å; I395-F407 HydrophobicContact CD1-CZ 3.52Å; I395-W413 HydrophobicContact CD1-CD2 4.41Å; I395-W413 HydrophobicContact CD1-CG 4.27Å; I395-W413 HydrophobicContact CG1-CD2 4.11Å; I395-W413 HydrophobicContact CG1-CG 4.4Å; I395-W413 HydrophobicContact CG1-CZ2 4.08Å; I395-W413 HydrophobicContact CG2-CE3 4.32Å; I395-W413 HydrophobicContact CG2-CH2 4.29Å; I395-W413 HydrophobicContact CG2-CZ2 4.46Å; I395-W413 HydrophobicContact CG2-CZ3 4.21Å |
| 396 | L | 97 | Very high | 96.1 | Very high | 26 Ų | 26 | 45.9 Ų | 45.9 | 14% | 0.136 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -65.7 | -21.9 | 177.6 | -71.5 | 163.4 | 0 | 0 | 0 | 113.2 | L333 R341 L342 P345 F392 E394 | L333-L396 HydrophobicContact CB-CD2 3.93Å; L333-L396 HydrophobicContact CD1-CD2 4.45Å; L333-L396 HydrophobicContact CD2-CD2 4.15Å; L333-L396 HydrophobicContact CD2-CG 4.48Å; L333-L396 HydrophobicContact CG-CD2 4.4Å; R341-L396 HydrophobicContact CG-CD2 4.17Å; L342-L396 HydrophobicContact CB-CD1 3.65Å; L342-L396 HydrophobicContact CB-CD2 4.1Å; P345-L396 HydrophobicContact CB-CD1 4.07Å; P345-L396 HydrophobicContact CG-CD1 3.78Å; F392-L396 VanDerWaalsContact O-CB 3.29Å; F392-L396 WeakPolarHBondContact O-CB 3.12Å; F392-L396 WeakPolarHBondContact O-CD1 3.29Å; F392-L396 WeakPolarHBondContact O-CG 3.42Å; F392-L396 PolarHBondContact O-N 3.26Å; E394-L396 PolarHBondContact O-N 2.98Å |
| 397 | K | 95.5 | Very high | 95.9 | Very high | 164 Ų | 164 | 45.9 Ų | 45.9 | 71% | 0.713 | 22% | 0.223 | S | C | * | . | H | α-helix | trans | -78.9 | -35.7 | 173.6 | -175.6 | -174.8 | 175.5 | -173.4 | 0 | 112.2 | M393 E394 I395 | M393-K397 PolarHBondContact O-N 3.15Å; E394-K397 WeakPolarHBondContact O-CB 3.41Å; E394-K397 PolarHBondContact O-N 3.07Å; E394-K397 VanDerWaalsContact O-N 3.08Å; I395-K397 PolarHBondContact O-N 2.9Å |
| 398 | Y | 93.7 | Very high | 95.6 | Very high | 172 Ų | 172 | 49 Ų | 49 | 68% | 0.675 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -90.3 | -38.9 | -177.8 | -70.7 | -69 | 0 | 0 | 0 | 113.6 | E394 I395 | E394-Y398 WeakPolarHBondContact O-CD2 3.33Å; E394-Y398 PolarHBondContact O-N 2.65Å; I395-Y398 PolarHBondContact O-N 3.17Å |
| 399 | C | 92.4 | Very high | 94.8 | Very high | 4 Ų | 4 | 55.3 Ų | 55.3 | 3% | 0.027 | 27% | 0.265 | C | S | . | . | trans | -97.5 | 112.1 | 177.8 | -176.1 | 0 | 0 | 0 | 0 | 108.9 | L333 R341 I395 W413 | L333-C399 HydrophobicContact CD1-CB 4.05Å; R341-C399 PolarHBondContact NH2-O 2.87Å; I395-C399 HydrophobicContact CG2-CB 4.35Å; I395-C399 VanDerWaalsContact O-CB 3.31Å; I395-C399 WeakPolarHBondContact O-CB 3.4Å; I395-C399 PolarHBondContact O-N 2.88Å; C399-W413 HydrophobicContact CB-CH2 3.96Å; C399-W413 HydrophobicContact CB-CZ3 3.92Å | ||
| 400 | T | 92.6 | Very high | 94 | Very high | 105 Ų | 105 | 60.8 Ų | 60.8 | 64% | 0.644 | 29% | 0.294 | S | S | * | . | trans | -114.7 | -18.6 | 179.1 | 52.5 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 401 | D | 91.3 | Very high | 93.1 | Very high | 97 Ų | 97 | 62.1 Ų | 62.1 | 52% | 0.519 | 31% | 0.308 | S | S | . | . | S | Bend | trans | -114.3 | 4 | -166.6 | 70.2 | -23.9 | 0 | 0 | 0 | 114.3 | R417 | D401-R417 VanDerWaalsContact CG-NH2 3.32Å; D401-R417 IonicContact OD1-CZ 3.57Å; D401-R417 IonicContact OD1-NH1 3.76Å; D401-R417 IonicContact OD1-NH2 3.46Å; D401-R417 PolarHBondContact OD1-NH2 3.17Å; D401-R417 VanDerWaalsContact OD1-NH2 3.16Å; D401-R417 IonicContact OD2-CZ 2.7Å; D401-R417 IonicContact OD2-NH1 3.32Å; D401-R417 PolarHBondContact OD2-NH1 3.43Å; D401-R417 IonicContact OD2-NH2 2.7Å; D401-R417 PolarHBondContact OD2-NH2 3.21Å |
| 402 | C | 92.6 | Very high | 92.8 | Very high | 8 Ų | 8 | 65 Ų | 65 | 5% | 0.054 | 33% | 0.326 | C | S | . | . | trans | -130.9 | 145.5 | 177.1 | -54.3 | 0 | 0 | 0 | 0 | 111.3 | R341 P415 R417 | R341-C402 PolarHBondContact NH1-O 2.97Å; R341-C402 PolarHBondContact NH2-O 3.25Å; C402-P415 HydrophobicContact CB-CB 3.79Å; C402-P415 WeakPolarHBondContact SG-CB 3.32Å; C402-R417 VanDerWaalsContact SG-CZ 3.53Å | ||
| 403 | D | 95.5 | Very high | 92.7 | Very high | 80 Ų | 80 | 68.8 Ų | 68.8 | 43% | 0.428 | 34% | 0.341 | S | S | . | . | S | Bend | trans | -101.4 | -11 | -176.7 | -73.2 | -23.1 | 0 | 0 | 0 | 114.1 | S332 L333 L334 R341 | S332-D403 CarbonylContact C-O 3.51Å; S332-D403 WeakPolarHBondContact CA-O 3.4Å; S332-D403 PolarHBondContact OG-O 2.93Å; L333-D403 PolarHBondContact N-O 3.39Å; L334-D403 HydrophobicContact CD1-CB 3.96Å; L334-D403 HydrophobicContact CD2-CB 4.27Å; L334-D403 WeakPolarHBondContact CD2-OD1 3.26Å; L334-D403 HydrophobicContact CG-CB 3.87Å; R341-D403 IonicContact NH1-OD1 2.72Å; R341-D403 PolarHBondContact NH1-OD1 3.18Å |
| 404 | E | 96.6 | Very high | 92.5 | Very high | 67 Ų | 67 | 67.2 Ų | 67.2 | 31% | 0.313 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 150.7 | 172.1 | -75.4 | -168.7 | -166.6 | 0 | 0 | 111.4 | R330 V331 M416 | R330-E404 IonicContact CZ-OE2 3.16Å; R330-E404 IonicContact NE-OE2 3.97Å; R330-E404 PolarHBondContact NE-OE2 3.11Å; R330-E404 IonicContact NH2-OE1 3.81Å; R330-E404 IonicContact NH2-OE2 2.72Å; R330-E404 PolarHBondContact NH2-OE2 2.67Å; V331-E404 WeakPolarHBondContact O-CA 3.25Å; E404-M416 HydrophobicContact CB-CB 3.9Å; E404-M416 HydrophobicContact CB-CG 4.39Å; E404-M416 HydrophobicContact CB-SD 4.46Å; E404-M416 PolarHBondContact O-N 2.82Å |
| 405 | I | 96.5 | Very high | 92.4 | Very high | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 153.8 | 172.1 | 55.7 | 146.6 | 0 | 0 | 0 | 110.3 | R330 V331 L333 I395 F407 W413 A414 | R330-I405 WeakPolarHBondContact CA-O 3.49Å; V331-I405 HydrophobicContact CG2-CD1 3.75Å; V331-I405 HydrophobicContact CG2-CG1 3.53Å; V331-I405 PolarHBondContact N-O 2.93Å; V331-I405 PolarHBondContact O-N 2.93Å; L333-I405 HydrophobicContact CD1-CG2 3.9Å; L333-I405 HydrophobicContact CD2-CG1 4.23Å; L333-I405 HydrophobicContact CG-CG1 4.44Å; L333-I405 HydrophobicContact CG-CG2 4.37Å; I395-I405 HydrophobicContact CD1-CD1 3.77Å; I395-I405 HydrophobicContact CG2-CD1 3.98Å; I395-I405 HydrophobicContact CG2-CG2 4.3Å; I405-F407 HydrophobicContact CD1-CD2 4.23Å; I405-F407 HydrophobicContact CD1-CE1 4.12Å; I405-F407 HydrophobicContact CD1-CE2 3.53Å; I405-F407 HydrophobicContact CD1-CZ 3.47Å; I405-F407 VanDerWaalsContact CD1-CZ 3.47Å; I405-W413 HydrophobicContact CB-CE3 4.38Å; I405-W413 HydrophobicContact CD1-CB 4.38Å; I405-W413 HydrophobicContact CG2-CE3 3.83Å; I405-W413 HydrophobicContact CG2-CZ3 4.12Å; I405-A414 CarbonylContact C-O 3.58Å; I405-A414 WeakPolarHBondContact CA-O 3.33Å |
| 406 | Q | 96.1 | Very high | 92.1 | Very high | 59 Ų | 59 | 69 Ų | 69 | 28% | 0.276 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 120.1 | 176.4 | -174.9 | -178.5 | 39 | 0 | 0 | 109.5 | S328 L329 R330 W413 A414 M416 | S328-Q406 PolarHBondContact OG-NE2 3.3Å; L329-Q406 WeakPolarHBondContact O-CA 3.27Å; R330-Q406 HydrophobicContact CG-CG 4.49Å; Q406-W413 CarbonylContact O-C 3.52Å; Q406-W413 VanDerWaalsContact O-CA 3.25Å; Q406-W413 WeakPolarHBondContact O-CA 3.49Å; Q406-A414 PolarHBondContact N-O 2.95Å; Q406-A414 PolarHBondContact O-N 2.92Å; Q406-M416 HydrophobicContact CB-CG 3.86Å; Q406-M416 HydrophobicContact CB-SD 4Å |
| 407 | F | 95.5 | Very high | 91.5 | Very high | 1 Ų | 1 | 75 Ų | 75 | 0% | 0.004 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 143 | 168.8 | -66.1 | -78.1 | 0 | 0 | 0 | 111.1 | I312 S328 L329 V331 L354 L391 I395 I405 T412 W413 | I312-F407 HydrophobicContact CD1-CD1 3.56Å; I312-F407 HydrophobicContact CD1-CD2 4.02Å; I312-F407 HydrophobicContact CD1-CE1 3.55Å; I312-F407 HydrophobicContact CD1-CE2 3.99Å; I312-F407 HydrophobicContact CD1-CG 3.8Å; I312-F407 HydrophobicContact CD1-CZ 3.76Å; I312-F407 HydrophobicContact CG1-CD1 4.45Å; I312-F407 HydrophobicContact CG1-CD2 4.34Å; I312-F407 HydrophobicContact CG1-CG 4.24Å; I312-F407 HydrophobicContact CG2-CB 3.94Å; I312-F407 HydrophobicContact CG2-CG 4.33Å; S328-F407 CarbonylContact C-O 3.57Å; S328-F407 VanDerWaalsContact CA-O 3.23Å; S328-F407 WeakPolarHBondContact CA-O 3.4Å; S328-F407 VanDerWaalsContact CB-O 3.31Å; S328-F407 WeakPolarHBondContact CB-O 3.45Å; L329-F407 HydrophobicContact CB-CB 4.32Å; L329-F407 PolarHBondContact N-O 3.32Å; L329-F407 PolarHBondContact O-N 3.46Å; V331-F407 HydrophobicContact CG2-CD2 4.26Å; V331-F407 HydrophobicContact CG2-CE2 3.66Å; L354-F407 HydrophobicContact CD2-CD2 3.66Å; L354-F407 HydrophobicContact CD2-CE2 3.52Å; L354-F407 HydrophobicContact CD2-CZ 4.42Å; L354-F407 HydrophobicContact CG-CE2 4.45Å; L391-F407 HydrophobicContact CD2-CE1 3.87Å; L391-F407 HydrophobicContact CD2-CZ 3.97Å; L391-F407 HydrophobicContact CG-CE1 4.43Å; L391-F407 HydrophobicContact CG-CZ 4.45Å; I395-F407 HydrophobicContact CD1-CE1 3.73Å; I395-F407 HydrophobicContact CD1-CZ 3.52Å; I405-F407 HydrophobicContact CD1-CD2 4.23Å; I405-F407 HydrophobicContact CD1-CE1 4.12Å; I405-F407 HydrophobicContact CD1-CE2 3.53Å; I405-F407 HydrophobicContact CD1-CZ 3.47Å; I405-F407 VanDerWaalsContact CD1-CZ 3.47Å; F407-T412 WeakPolarHBondContact CA-O 3.28Å; F407-W413 HydrophobicContact CD1-CB 3.66Å; F407-W413 HydrophobicContact CE1-CB 3.81Å; F407-W413 HydrophobicContact CE1-CG 4.29Å; F407-W413 HydrophobicContact CG-CB 4.42Å |
| 408 | K | 90.8 | Very high | 90.1 | Very high | 94 Ų | 94 | 72.7 Ų | 72.7 | 41% | 0.409 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 166.4 | 176.2 | -62.2 | 179.9 | -175.3 | 177.9 | 0 | 111.1 | L316 D410 G411 T412 | L316-K408 WeakPolarHBondContact CD1-O 3.29Å; K408-D410 WeakPolarHBondContact CB-OD1 3.3Å; K408-D410 PolarHBondContact O-N 3.27Å; K408-G411 PolarHBondContact O-N 2.89Å; K408-T412 PolarHBondContact N-O 3.32Å |
| 409 | E | 83.6 | Confident | 88.4 | Confident | 136 Ų | 136 | 71.9 Ų | 71.9 | 64% | 0.636 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | -32.5 | -176.8 | -168.6 | -172.6 | 167.9 | 0 | 0 | 113.2 | L316 G411 | L316-E409 HydrophobicContact CB-CG 4.43Å; E409-G411 PolarHBondContact O-N 3.19Å; E409-G411 VanDerWaalsContact O-N 3.17Å |
| 410 | D | 81.3 | Confident | 86.5 | Confident | 115 Ų | 115 | 80.7 Ų | 80.7 | 62% | 0.615 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.6 | -3.7 | 174.7 | 65.1 | 3.5 | 0 | 0 | 0 | 114.1 | K408 T412 | K408-D410 WeakPolarHBondContact CB-OD1 3.3Å; K408-D410 PolarHBondContact O-N 3.27Å; D410-T412 VanDerWaalsContact C-N 3.27Å; D410-T412 VanDerWaalsContact CG-OG1 3.3Å; D410-T412 PolarHBondContact O-N 2.84Å; D410-T412 VanDerWaalsContact OD1-CB 3.26Å; D410-T412 WeakPolarHBondContact OD1-CB 3.44Å; D410-T412 WeakPolarHBondContact OD1-CG2 3.35Å; D410-T412 PolarHBondContact OD1-N 3.5Å; D410-T412 PolarHBondContact OD1-OG1 2.85Å; D410-T412 WeakPolarHBondContact OD2-CG2 3.49Å; D410-T412 PolarHBondContact OD2-OG1 3.48Å |
| 411 | G | 79.2 | Confident | 84.4 | Confident | 32 Ų | 32 | 82 Ų | 82 | 33% | 0.33 | 41% | 0.413 | S | S | . | . | S | Bend | trans | 80.9 | 1.4 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | K408 E409 | K408-G411 PolarHBondContact O-N 2.89Å; E409-G411 PolarHBondContact O-N 3.19Å; E409-G411 VanDerWaalsContact O-N 3.17Å |
| 412 | T | 90.3 | Very high | 82.3 | Confident | 65 Ų | 65 | 82.7 Ų | 82.7 | 40% | 0.399 | 42% | 0.421 | S | S | . | . | trans | -72.8 | 161.2 | 170 | 69.3 | 0 | 0 | 0 | 0 | 110.8 | F407 K408 D410 | F407-T412 WeakPolarHBondContact CA-O 3.28Å; K408-T412 PolarHBondContact N-O 3.32Å; D410-T412 VanDerWaalsContact C-N 3.27Å; D410-T412 VanDerWaalsContact CG-OG1 3.3Å; D410-T412 PolarHBondContact O-N 2.84Å; D410-T412 VanDerWaalsContact OD1-CB 3.26Å; D410-T412 WeakPolarHBondContact OD1-CB 3.44Å; D410-T412 WeakPolarHBondContact OD1-CG2 3.35Å; D410-T412 PolarHBondContact OD1-N 3.5Å; D410-T412 PolarHBondContact OD1-OG1 2.85Å; D410-T412 WeakPolarHBondContact OD2-CG2 3.49Å; D410-T412 PolarHBondContact OD2-OG1 3.48Å | ||
| 413 | W | 94.5 | Very high | 80 | Confident | 80 Ų | 80 | 90 Ų | 90 | 30% | 0.303 | 45% | 0.454 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 148.5 | 174.2 | 60.4 | -86.6 | 0 | 0 | 0 | 110.2 | I395 C399 I405 Q406 F407 P415 | I395-W413 HydrophobicContact CD1-CD2 4.41Å; I395-W413 HydrophobicContact CD1-CG 4.27Å; I395-W413 HydrophobicContact CG1-CD2 4.11Å; I395-W413 HydrophobicContact CG1-CG 4.4Å; I395-W413 HydrophobicContact CG1-CZ2 4.08Å; I395-W413 HydrophobicContact CG2-CE3 4.32Å; I395-W413 HydrophobicContact CG2-CH2 4.29Å; I395-W413 HydrophobicContact CG2-CZ2 4.46Å; I395-W413 HydrophobicContact CG2-CZ3 4.21Å; C399-W413 HydrophobicContact CB-CH2 3.96Å; C399-W413 HydrophobicContact CB-CZ3 3.92Å; I405-W413 HydrophobicContact CB-CE3 4.38Å; I405-W413 HydrophobicContact CD1-CB 4.38Å; I405-W413 HydrophobicContact CG2-CE3 3.83Å; I405-W413 HydrophobicContact CG2-CZ3 4.12Å; Q406-W413 CarbonylContact O-C 3.52Å; Q406-W413 VanDerWaalsContact O-CA 3.25Å; Q406-W413 WeakPolarHBondContact O-CA 3.49Å; F407-W413 HydrophobicContact CD1-CB 3.66Å; F407-W413 HydrophobicContact CE1-CB 3.81Å; F407-W413 HydrophobicContact CE1-CG 4.29Å; F407-W413 HydrophobicContact CG-CB 4.42Å; W413-P415 HydrophobicContact CZ3-CG 4.16Å |
| 414 | A | 94 | Very high | 77.8 | Confident | 32 Ų | 32 | 94.2 Ų | 94.2 | 26% | 0.264 | 47% | 0.471 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 142 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | I405 Q406 | I405-A414 CarbonylContact C-O 3.58Å; I405-A414 WeakPolarHBondContact CA-O 3.33Å; Q406-A414 PolarHBondContact N-O 2.95Å; Q406-A414 PolarHBondContact O-N 2.92Å |
| 415 | P | 94.3 | Very high | 75.4 | Confident | 49 Ų | 49 | 96.9 Ų | 96.9 | 32% | 0.318 | 49% | 0.492 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.1 | 133.2 | 169.5 | -14.7 | 27.5 | 0 | 0 | 0 | 111.2 | C402 W413 R417 | C402-P415 HydrophobicContact CB-CB 3.79Å; C402-P415 WeakPolarHBondContact SG-CB 3.32Å; W413-P415 HydrophobicContact CZ3-CG 4.16Å; P415-R417 PolarHBondContact O-N 3.02Å; P415-R417 VanDerWaalsContact O-N 3.13Å |
| 416 | M | 90.7 | Very high | 73 | Confident | 62 Ų | 62 | 102.3 Ų | 102.3 | 31% | 0.305 | 53% | 0.53 | S | S | . | . | trans | -83.7 | 88.6 | 173.9 | -67.4 | -163.1 | 70.1 | 0 | 0 | 109.7 | R330 E404 Q406 | R330-M416 HydrophobicContact CB-SD 4.24Å; R330-M416 HydrophobicContact CG-CE 4.36Å; R330-M416 HydrophobicContact CG-SD 3.59Å; R330-M416 VanDerWaalsContact CG-SD 3.59Å; R330-M416 PolarHBondContact NE-SD 3.46Å; E404-M416 HydrophobicContact CB-CB 3.9Å; E404-M416 HydrophobicContact CB-CG 4.39Å; E404-M416 HydrophobicContact CB-SD 4.46Å; E404-M416 PolarHBondContact O-N 2.82Å; Q406-M416 HydrophobicContact CB-CG 3.86Å; Q406-M416 HydrophobicContact CB-SD 4Å | ||
| 417 | R | 83.6 | Confident | 70.4 | Confident | 152 Ų | 152 | 103.9 Ų | 103.9 | 57% | 0.574 | 55% | 0.553 | S | S | * | * | trans | -84.5 | 120.9 | 167.9 | -60.3 | 179.2 | -168.8 | -90.5 | -6.1 | 107.6 | D401 C402 P415 K419 | D401-R417 VanDerWaalsContact CG-NH2 3.32Å; D401-R417 IonicContact OD1-CZ 3.57Å; D401-R417 IonicContact OD1-NH1 3.76Å; D401-R417 IonicContact OD1-NH2 3.46Å; D401-R417 PolarHBondContact OD1-NH2 3.17Å; D401-R417 VanDerWaalsContact OD1-NH2 3.16Å; D401-R417 IonicContact OD2-CZ 2.7Å; D401-R417 IonicContact OD2-NH1 3.32Å; D401-R417 PolarHBondContact OD2-NH1 3.43Å; D401-R417 IonicContact OD2-NH2 2.7Å; D401-R417 PolarHBondContact OD2-NH2 3.21Å; C402-R417 VanDerWaalsContact SG-CZ 3.53Å; P415-R417 PolarHBondContact O-N 3.02Å; P415-R417 VanDerWaalsContact O-N 3.13Å; R417-K419 PolarHBondContact O-N 2.76Å | ||
| 418 | S | 67.2 | Low | 68.2 | Low | 117 Ų | 117 | 109 Ų | 109 | 82% | 0.818 | 59% | 0.589 | S | S | * | * | trans | -60.1 | 109.4 | 170.2 | 45.3 | 0 | 0 | 0 | 0 | 108.5 | K420 | S418-K420 PolarHBondContact O-N 2.82Š| ||
| 419 | K | 58.2 | Low | 65.9 | Low | 154 Ų | 154 | 114.2 Ų | 114.2 | 67% | 0.67 | 61% | 0.608 | S | S | * | * | trans | -71.7 | 86.6 | 175.2 | -167.2 | -167 | -179.9 | -159.8 | 0 | 107.4 | R417 E421 | R417-K419 PolarHBondContact O-N 2.76Å; K419-E421 HydrophobicContact CD-CB 4.38Å; K419-E421 VanDerWaalsContact CE-CD 3.47Å; K419-E421 WeakPolarHBondContact CE-OE1 3.46Å; K419-E421 WeakPolarHBondContact CE-OE2 3.4Å; K419-E421 HydrophobicContact CG-CB 4.31Å; K419-E421 IonicContact NZ-OE1 2.76Å; K419-E421 PolarHBondContact NZ-OE1 3.31Å; K419-E421 IonicContact NZ-OE2 3.78Å; K419-E421 PolarHBondContact NZ-OE2 3.27Å; K419-E421 PolarHBondContact O-N 3.25Å | ||
| 420 | K | 52.6 | Low | 64 | Low | 190 Ų | 190 | 115.7 Ų | 115.7 | 83% | 0.826 | 62% | 0.62 | S | S | * | * | trans | -72 | 72.2 | 168.9 | -162.1 | 176.6 | -171.3 | 179.8 | 0 | 108 | S418 V422 | S418-K420 PolarHBondContact O-N 2.82Å; K420-V422 VanDerWaalsContact C-N 3.3Å; K420-V422 PolarHBondContact O-N 2.75Å | ||
| 421 | E | 48.2 | Very low | 62.2 | Low | 131 Ų | 131 | 113.7 Ų | 113.7 | 61% | 0.612 | 63% | 0.627 | S | S | * | * | trans | -69.9 | 92 | 174.5 | -173.1 | 150 | -128.4 | 0 | 0 | 107.7 | K419 Q423 | K419-E421 HydrophobicContact CD-CB 4.38Å; K419-E421 VanDerWaalsContact CE-CD 3.47Å; K419-E421 WeakPolarHBondContact CE-OE1 3.46Å; K419-E421 WeakPolarHBondContact CE-OE2 3.4Å; K419-E421 HydrophobicContact CG-CB 4.31Å; K419-E421 IonicContact NZ-OE1 2.76Å; K419-E421 PolarHBondContact NZ-OE1 3.31Å; K419-E421 IonicContact NZ-OE2 3.78Å; K419-E421 PolarHBondContact NZ-OE2 3.27Å; K419-E421 PolarHBondContact O-N 3.25Å; E421-Q423 PolarHBondContact O-N 3.24Å | ||
| 422 | V | 47.7 | Very low | 60.7 | Low | 113 Ų | 113 | 118.3 Ų | 118.3 | 69% | 0.685 | 65% | 0.648 | S | S | * | * | trans | -68.6 | 89.9 | 164.7 | -179.5 | 0 | 0 | 0 | 0 | 105.9 | K420 E424 | K420-V422 VanDerWaalsContact C-N 3.3Å; K420-V422 PolarHBondContact O-N 2.75Å; V422-E424 HydrophobicContact CG1-CG 4.47Å; V422-E424 PolarHBondContact O-N 3.33Å | ||
| 423 | Q | 44.5 | Very low | 58.5 | Low | 161 Ų | 161 | 122.6 Ų | 122.6 | 75% | 0.752 | 67% | 0.669 | S | S | * | * | trans | -71.7 | 96 | 169.9 | -172.3 | 169.2 | 20.3 | 0 | 0 | 107.4 | E421 V425 | E421-Q423 PolarHBondContact O-N 3.24Å; Q423-V425 VanDerWaalsContact C-N 3.34Å; Q423-V425 PolarHBondContact O-N 3.44Å | ||
| 424 | E | 49.4 | Very low | 56 | Low | 168 Ų | 168 | 122.4 Ų | 122.4 | 79% | 0.785 | 69% | 0.691 | S | S | * | * | trans | -62.7 | 96.2 | 168.6 | -76.1 | -172.1 | 144.5 | 0 | 0 | 109.1 | V422 S426 | V422-E424 HydrophobicContact CG1-CG 4.47Å; V422-E424 PolarHBondContact O-N 3.33Å; E424-S426 VanDerWaalsContact C-N 3.31Å; E424-S426 PolarHBondContact O-N 3.18Å | ||
| 425 | V | 46.2 | Very low | 53.5 | Low | 124 Ų | 124 | 126.1 Ų | 126.1 | 75% | 0.752 | 71% | 0.714 | S | S | * | * | trans | -71 | 92.5 | 168 | -179.3 | 0 | 0 | 0 | 0 | 107.5 | Q423 A427 | Q423-V425 VanDerWaalsContact C-N 3.34Å; Q423-V425 PolarHBondContact O-N 3.44Å; V425-A427 VanDerWaalsContact C-N 3.34Å; V425-A427 PolarHBondContact O-N 2.69Å | ||
| 426 | S | 44.5 | Very low | 51.1 | Low | 114 Ų | 114 | 131.2 Ų | 131.2 | 80% | 0.797 | 74% | 0.738 | S | S | * | * | trans | -74.6 | 86.9 | 175.2 | 20.2 | 0 | 0 | 0 | 0 | 109.8 | E424 S428 | E424-S426 VanDerWaalsContact C-N 3.31Å; E424-S426 PolarHBondContact O-N 3.18Å; S426-S428 VanDerWaalsContact C-N 3.32Å; S426-S428 PolarHBondContact O-N 2.85Å | ||
| 427 | A | 41.3 | Very low | 48.7 | Very low | 91 Ų | 91 | 133.1 Ų | 133.1 | 75% | 0.752 | 76% | 0.757 | S | S | * | * | trans | -71.2 | 82.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | V425 | V425-A427 VanDerWaalsContact C-N 3.34Å; V425-A427 PolarHBondContact O-N 2.69Å | ||
| 428 | S | 49.6 | Very low | 46.7 | Very low | 110 Ų | 110 | 130.8 Ų | 130.8 | 77% | 0.769 | 76% | 0.764 | S | S | * | * | trans | -84.8 | 111.1 | 164.7 | -169.4 | 0 | 0 | 0 | 0 | 109.7 | S426 | S426-S428 VanDerWaalsContact C-N 3.32Å; S426-S428 PolarHBondContact O-N 2.85Å | ||
| 429 | Y | 43.8 | Very low | 45.6 | Very low | 203 Ų | 203 | 130.3 Ų | 130.3 | 80% | 0.796 | 76% | 0.757 | S | S | * | * | trans | -69 | 157.3 | 176.1 | 54 | -88 | 0 | 0 | 0 | 111.9 | ||||
| 430 | N | 42.3 | Very low | 45.1 | Very low | 166 Ų | 166 | 129.7 Ų | 129.7 | 89% | 0.888 | 76% | 0.76 | S | S | * | * | trans | -66 | 131.3 | -179.3 | -68.3 | -42 | 0 | 0 | 0 | 112.3 | ||||
| 431 | G | 44.8 | Very low | 44.5 | Very low | 74 Ų | 74 | 127.3 Ų | 127.3 | 76% | 0.763 | 75% | 0.751 | S | S | * | * | trans | -128.8 | 132.5 | 162.5 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 432 | V | 46.6 | Very low | 44.3 | Very low | 128 Ų | 128 | 129 Ų | 129 | 78% | 0.776 | 76% | 0.759 | S | S | * | * | trans | -88.8 | 169.8 | -168 | -70 | 0 | 0 | 0 | 0 | 114 | ||||
| 433 | D | 44.9 | Very low | 44 | Very low | 156 Ų | 156 | 132.1 Ų | 132.1 | 83% | 0.834 | 77% | 0.766 | S | S | * | * | trans | 93.2 | 130.2 | 159.2 | -56.3 | -31 | 0 | 0 | 0 | 120.9 | ||||
| 434 | G | 41.3 | Very low | 43.8 | Very low | 75 Ų | 75 | 131 Ų | 131 | 77% | 0.773 | 77% | 0.77 | S | S | * | * | trans | 90.7 | 95.3 | 153 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 435 | C | 42.4 | Very low | 43.2 | Very low | 111 Ų | 111 | 127.2 Ų | 127.2 | 75% | 0.75 | 77% | 0.768 | S | S | * | * | 100.5 | 92.7 | 60.4 | 179.9 | 0 | 0 | 0 | 0 | 115 | |||||
| 436 | L | 43 | Very low | 43.1 | Very low | 155 Ų | 155 | 127.2 Ų | 127.2 | 81% | 0.812 | 77% | 0.773 | S | S | * | * | trans | 77.2 | 148.7 | 140.7 | -61.5 | 178.4 | 0 | 0 | 0 | 123.9 | ||||
| 437 | S | 40 | Very low | 43 | Very low | 103 Ų | 103 | 129.4 Ų | 129.4 | 72% | 0.72 | 77% | 0.771 | S | S | * | * | trans | 83.4 | 104.9 | 155.9 | -63.6 | 0 | 0 | 0 | 0 | 118 | ||||
| 438 | S | 42.4 | Very low | 43.1 | Very low | 102 Ų | 102 | 134.4 Ų | 134.4 | 71% | 0.713 | 78% | 0.778 | S | S | * | * | 94.4 | 140.5 | 76.2 | 75.8 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 439 | T | 42.9 | Very low | 42.7 | Very low | 108 Ų | 108 | 137.4 Ų | 137.4 | 66% | 0.663 | 78% | 0.78 | S | S | * | * | cis | -172.4 | 166.7 | 9.3 | -5.9 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 440 | L | 48.2 | Very low | 42.7 | Very low | 141 Ų | 141 | 133.5 Ų | 133.5 | 74% | 0.738 | 78% | 0.782 | S | S | * | * | trans | 65.7 | 144.8 | 149.2 | -65.8 | 162.5 | 0 | 0 | 0 | 117.3 | ||||
| 441 | E | 41.4 | Very low | 42.6 | Very low | 139 Ų | 139 | 130.6 Ų | 130.6 | 65% | 0.65 | 78% | 0.775 | S | S | * | * | cis | -152 | 166.9 | -4.8 | -84.2 | 141.1 | -171.3 | 0 | 0 | 106.3 | ||||
| 442 | H | 42.1 | Very low | 42.5 | Very low | 168 Ų | 168 | 134.6 Ų | 134.6 | 78% | 0.778 | 78% | 0.779 | S | S | * | * | -163.7 | 157.8 | 51.3 | -111.1 | 92.2 | 0 | 0 | 0 | 112 | |||||
| 443 | Q | 41.4 | Very low | 42.3 | Very low | 177 Ų | 177 | 138.3 Ų | 138.3 | 83% | 0.827 | 79% | 0.785 | S | S | * | * | trans | -78.1 | 173.8 | 174.1 | -59.5 | 167.7 | 7.1 | 0 | 0 | 110.2 | ||||
| 444 | V | 40.6 | Very low | 42.4 | Very low | 137 Ų | 137 | 138.5 Ų | 138.5 | 83% | 0.83 | 79% | 0.785 | S | S | * | * | -163.2 | 153.9 | 56.4 | 169.6 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 445 | A | 37.9 | Very low | 43 | Very low | 90 Ų | 90 | 144.4 Ų | 144.4 | 74% | 0.744 | 79% | 0.79 | S | S | * | * | trans | -95.8 | 164.6 | -176.2 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 446 | S | 42.7 | Very low | 43.4 | Very low | 124 Ų | 124 | 148.7 Ų | 148.7 | 87% | 0.867 | 80% | 0.796 | S | S | * | * | trans | -156 | 140.6 | 136.9 | 57.6 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 447 | H | 43 | Very low | 44.4 | Very low | 160 Ų | 160 | 147.2 Ų | 147.2 | 74% | 0.741 | 79% | 0.793 | S | S | * | * | trans | -78.4 | 150 | 174.7 | -95.4 | -94.7 | 0 | 0 | 0 | 111.2 | ||||
| 448 | H | 42.8 | Very low | 45.7 | Very low | 196 Ų | 196 | 150.1 Ų | 150.1 | 91% | 0.907 | 80% | 0.795 | S | S | * | * | -157.7 | 141.2 | 122.3 | -109.7 | -73.4 | 0 | 0 | 0 | 111.9 | |||||
| 449 | Q | 41.9 | Very low | 47.1 | Very low | 172 Ų | 172 | 151.4 Ų | 151.4 | 80% | 0.804 | 80% | 0.799 | S | S | * | * | trans | -85.7 | 140.5 | -177 | -63.2 | 167.5 | -4.5 | 0 | 0 | 111.4 | ||||
| 450 | S | 43.1 | Very low | 48.6 | Very low | 121 Ų | 121 | 152.4 Ų | 152.4 | 85% | 0.846 | 80% | 0.798 | S | S | * | * | trans | -146.6 | 124.2 | 148.8 | -172.5 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 451 | S | 40.2 | Very low | 49.8 | Very low | 105 Ų | 105 | 150.1 Ų | 150.1 | 73% | 0.734 | 79% | 0.787 | S | S | * | * | trans | -86 | 130.3 | -175.6 | 56.1 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 452 | N | 43.9 | Very low | 51 | Low | 159 Ų | 159 | 150.8 Ų | 150.8 | 85% | 0.85 | 79% | 0.794 | S | S | * | * | trans | -140.8 | 128.5 | 153.1 | -102.5 | -29.6 | 0 | 0 | 0 | 110.9 | N454 | N452-N454 PolarHBondContact O-N 3.28Š| ||
| 453 | K | 41.8 | Very low | 52.1 | Low | 206 Ų | 206 | 147.5 Ų | 147.5 | 90% | 0.896 | 79% | 0.786 | S | S | * | * | trans | -85.6 | 96.9 | -173.3 | -68.3 | 175.1 | 177.9 | 175 | 0 | 110.4 | ||||
| 454 | N | 47.6 | Very low | 52.8 | Low | 159 Ų | 159 | 145.1 Ų | 145.1 | 85% | 0.85 | 78% | 0.778 | S | S | * | * | trans | -88.1 | 117.6 | 163 | -77.6 | -6.6 | 0 | 0 | 0 | 109.6 | N452 K456 | N452-N454 PolarHBondContact O-N 3.28Å; N454-K456 PolarHBondContact O-N 3.17Å | ||
| 455 | K | 53.5 | Low | 53.3 | Low | 200 Ų | 200 | 146.2 Ų | 146.2 | 87% | 0.87 | 78% | 0.779 | S | S | * | * | trans | -62.9 | 122.4 | 165.8 | -78.1 | -179.3 | 173.9 | -179.1 | 0 | 107.9 | V457 | K455-V457 PolarHBondContact O-N 2.97Š| ||
| 456 | K | 50.8 | Low | 53.7 | Low | 200 Ų | 200 | 147.6 Ų | 147.6 | 87% | 0.87 | 78% | 0.783 | S | S | * | * | trans | -69.4 | 112.5 | 172.8 | -169.7 | -177.8 | -179.3 | -166.6 | 0 | 107.8 | N454 | N454-K456 PolarHBondContact O-N 3.17Š| ||
| 457 | V | 64.2 | Low | 54.1 | Low | 125 Ų | 125 | 147.2 Ų | 147.2 | 76% | 0.758 | 78% | 0.78 | S | S | * | * | trans | -75.4 | 127.7 | 169.1 | 176.5 | 0 | 0 | 0 | 0 | 107.4 | K455 | K455-V457 PolarHBondContact O-N 2.97Š| ||
| 458 | E | 67.8 | Low | 54.1 | Low | 163 Ų | 163 | 144.9 Ų | 144.9 | 76% | 0.762 | 78% | 0.782 | S | S | * | * | trans | -93.4 | 112.4 | 178.7 | -168.8 | 156.4 | -131.3 | 0 | 0 | 108.5 | I460 | E458-I460 HydrophobicContact CG-CG1 4.48Š| ||
| 459 | V | 72.4 | Confident | 54.5 | Low | 130 Ų | 130 | 143.3 Ų | 143.3 | 79% | 0.788 | 78% | 0.78 | S | S | * | * | trans | -93.7 | 108.9 | 179.4 | 179.4 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 460 | I | 74.3 | Confident | 54.9 | Low | 128 Ų | 128 | 143.1 Ų | 143.1 | 66% | 0.656 | 78% | 0.779 | S | S | * | * | trans | -94.3 | 110.1 | 176.2 | -59.5 | 170.6 | 0 | 0 | 0 | 107.6 | E458 L462 | E458-I460 HydrophobicContact CG-CG1 4.48Å; I460-L462 HydrophobicContact CG2-CD2 3.9Å; I460-L462 HydrophobicContact CG2-CG 4.36Å | ||
| 461 | D | 72.6 | Confident | 55.2 | Low | 94 Ų | 94 | 147 Ų | 147 | 50% | 0.503 | 78% | 0.784 | S | S | . | * | trans | -83.7 | 114.5 | 173 | -168.7 | -18.3 | 0 | 0 | 0 | 109.4 | T463 | D461-T463 VanDerWaalsContact C-N 3.31Å; D461-T463 WeakPolarHBondContact OD1-CB 3.26Å; D461-T463 PolarHBondContact OD1-N 3.24Å; D461-T463 PolarHBondContact OD1-OG1 2.63Å | ||
| 462 | L | 66.1 | Low | 55.5 | Low | 152 Ų | 152 | 150.9 Ų | 150.9 | 80% | 0.796 | 79% | 0.791 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.4 | 15.3 | 179.3 | -63.3 | 174.8 | 0 | 0 | 0 | 112.7 | I460 | I460-L462 HydrophobicContact CG2-CD2 3.9Å; I460-L462 HydrophobicContact CG2-CG 4.36Å |
| 463 | T | 66.1 | Low | 55.6 | Low | 100 Ų | 100 | 152.8 Ų | 152.8 | 61% | 0.613 | 80% | 0.795 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.4 | 7.9 | 179.7 | 67.9 | 0 | 0 | 0 | 0 | 114.6 | D461 | D461-T463 VanDerWaalsContact C-N 3.31Å; D461-T463 WeakPolarHBondContact OD1-CB 3.26Å; D461-T463 PolarHBondContact OD1-N 3.24Å; D461-T463 PolarHBondContact OD1-OG1 2.63Å |
| 464 | I | 55.9 | Low | 55.9 | Low | 127 Ų | 127 | 151.9 Ų | 151.9 | 65% | 0.651 | 79% | 0.794 | S | S | * | * | trans | -102.5 | 77.7 | 172.2 | 49.8 | 161.7 | 0 | 0 | 0 | 111.4 | S466 | I464-S466 PolarHBondContact O-N 3.02Š| ||
| 465 | D | 51.3 | Low | 55.5 | Low | 159 Ų | 159 | 149.2 Ų | 149.2 | 85% | 0.85 | 79% | 0.785 | S | S | * | * | trans | -66.6 | 101.4 | 168.3 | -78.6 | -41.3 | 0 | 0 | 0 | 110.1 | S467 | D465-S467 PolarHBondContact O-N 3.17Š| ||
| 466 | S | 45.8 | Very low | 54.9 | Low | 119 Ų | 119 | 145.3 Ų | 145.3 | 83% | 0.832 | 78% | 0.783 | S | S | * | * | trans | -77 | 106.7 | 174 | -67.2 | 0 | 0 | 0 | 0 | 110.5 | I464 | I464-S466 PolarHBondContact O-N 3.02Š| ||
| 467 | S | 51.2 | Low | 54.6 | Low | 116 Ų | 116 | 139.7 Ų | 139.7 | 81% | 0.811 | 77% | 0.774 | S | S | * | * | trans | -149.5 | 95.7 | 174.8 | 169.6 | 0 | 0 | 0 | 0 | 111.2 | D465 | D465-S467 PolarHBondContact O-N 3.17Š| ||
| 468 | S | 43.5 | Very low | 53.6 | Low | 111 Ų | 111 | 142.8 Ų | 142.8 | 78% | 0.776 | 78% | 0.777 | S | S | * | * | trans | -167.2 | 78.3 | 158.4 | -169.2 | 0 | 0 | 0 | 0 | 111 | ||||
| 469 | D | 50 | Low | 52.3 | Low | 163 Ų | 163 | 146.5 Ų | 146.5 | 87% | 0.872 | 78% | 0.784 | S | S | * | * | trans | -92.2 | 103.7 | 161.2 | -89.6 | -27.9 | 0 | 0 | 0 | 108.3 | ||||
| 470 | E | 50.6 | Low | 50.7 | Low | 168 Ų | 168 | 146.2 Ų | 146.2 | 79% | 0.785 | 78% | 0.783 | S | S | * | * | trans | -155 | 114 | 164.1 | -71.2 | -70 | 154.8 | 0 | 0 | 107.2 | ||||
| 471 | E | 49.3 | Very low | 49.1 | Very low | 202 Ų | 202 | 145.8 Ų | 145.8 | 94% | 0.944 | 79% | 0.79 | S | S | * | * | trans | -169.8 | 137.2 | 135.1 | -108 | 175.7 | -146.4 | 0 | 0 | 111.5 | ||||
| 472 | E | 45.9 | Very low | 47.6 | Very low | 188 Ų | 188 | 146.9 Ų | 146.9 | 88% | 0.879 | 80% | 0.802 | S | S | * | * | trans | -76.6 | 150.2 | -159 | -54 | 169.6 | 127.3 | 0 | 0 | 114.7 | ||||
| 473 | E | 47.2 | Very low | 46 | Very low | 199 Ų | 199 | 144.6 Ų | 144.6 | 93% | 0.93 | 80% | 0.799 | S | S | * | * | trans | -134 | 138.5 | 151.9 | -154.2 | 177.6 | -176.6 | 0 | 0 | 111 | ||||
| 474 | E | 48 | Very low | 45.1 | Very low | 187 Ų | 187 | 148.2 Ų | 148.2 | 87% | 0.874 | 81% | 0.814 | S | S | * | * | trans | -79.4 | 170.1 | -162.9 | -107.4 | -114.5 | 121.9 | 0 | 0 | 115 | ||||
| 475 | P | 39.2 | Very low | 44.2 | Very low | 103 Ų | 103 | 147 Ų | 147 | 67% | 0.669 | 82% | 0.817 | S | S | * | * | trans | -113.3 | 170.6 | -137.7 | 41.6 | -38.7 | 0 | 0 | 0 | 116.2 | ||||
| 476 | S | 41.2 | Very low | 44.3 | Very low | 117 Ų | 117 | 145.1 Ų | 145.1 | 82% | 0.818 | 81% | 0.813 | S | S | * | * | trans | -144.7 | 115.2 | 162.3 | 58.2 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 477 | A | 44.4 | Very low | 44.1 | Very low | 82 Ų | 82 | 145.8 Ų | 145.8 | 68% | 0.678 | 81% | 0.812 | S | S | * | * | trans | 47.5 | 110.2 | 141.4 | 0 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 478 | K | 42.5 | Very low | 43.8 | Very low | 191 Ų | 191 | 145.1 Ų | 145.1 | 83% | 0.83 | 81% | 0.807 | S | S | * | * | 66.8 | 109.8 | 126.9 | -58.8 | 171.6 | -175.7 | 173.5 | 0 | 120.2 | |||||
| 479 | R | 41.6 | Very low | 43.9 | Very low | 240 Ų | 240 | 145.3 Ų | 145.3 | 91% | 0.906 | 81% | 0.806 | S | S | * | * | 158.8 | 114.2 | 123.6 | -83.4 | 158.6 | -163.1 | -174.5 | 7.6 | 108.9 | |||||
| 480 | T | 38.6 | Very low | 43.4 | Very low | 124 Ų | 124 | 144.2 Ų | 144.2 | 76% | 0.761 | 80% | 0.799 | S | S | * | * | 99.4 | 110.4 | 58.5 | -66.3 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 481 | C | 40.6 | Very low | 43 | Very low | 119 Ų | 119 | 143.8 Ų | 143.8 | 80% | 0.804 | 80% | 0.802 | S | S | * | * | trans | 76.3 | 159.2 | 154 | -70.9 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 482 | P | 39.8 | Very low | 42.6 | Very low | 118 Ų | 118 | 139 Ų | 139 | 77% | 0.766 | 78% | 0.783 | S | S | * | * | cis | -142.5 | 176.3 | -44.9 | 40.4 | -23.7 | 0 | 0 | 0 | 115.1 | ||||
| 483 | S | 33 | Very low | 42.4 | Very low | 104 Ų | 104 | 139 Ų | 139 | 73% | 0.727 | 78% | 0.78 | S | S | * | * | trans | -74.7 | 153.6 | 173 | 172.3 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 484 | L | 47.8 | Very low | 42 | Very low | 176 Ų | 176 | 132.7 Ų | 132.7 | 92% | 0.921 | 77% | 0.769 | S | S | * | * | trans | -137.8 | 129.3 | 160.8 | -80.7 | 172.5 | 0 | 0 | 0 | 110.9 | ||||
| 485 | S | 36.5 | Very low | 41.7 | Very low | 102 Ų | 102 | 131.1 Ų | 131.1 | 71% | 0.713 | 77% | 0.765 | S | S | * | * | trans | -141.5 | 142.4 | 167.8 | 59.7 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 486 | P | 54.5 | Low | 41.8 | Very low | 119 Ų | 119 | 133.6 Ų | 133.6 | 77% | 0.773 | 77% | 0.772 | S | S | * | * | trans | -101.2 | 107.4 | 178.4 | 33.5 | -27.4 | 0 | 0 | 0 | 113.5 | ||||
| 487 | T | 41.1 | Very low | 41.7 | Very low | 132 Ų | 132 | 133.2 Ų | 133.2 | 81% | 0.81 | 77% | 0.769 | S | S | * | * | trans | 41.1 | 122.8 | 130 | 54.5 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 488 | S | 43.6 | Very low | 41.1 | Very low | 103 Ų | 103 | 136.8 Ų | 136.8 | 72% | 0.72 | 78% | 0.776 | S | S | * | * | trans | -77.7 | -173.2 | 157.9 | 54.2 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 489 | P | 45.6 | Very low | 41.2 | Very low | 114 Ų | 114 | 132.9 Ų | 132.9 | 74% | 0.74 | 77% | 0.77 | S | S | * | * | -151.4 | 145.4 | 103.8 | 36.8 | -18.7 | 0 | 0 | 0 | 118.9 | |||||
| 490 | L | 40.7 | Very low | 41.1 | Very low | 141 Ų | 141 | 129 Ų | 129 | 74% | 0.738 | 76% | 0.762 | S | S | * | * | trans | 47 | 126 | 137.5 | -79 | 66.1 | 0 | 0 | 0 | 122.7 | ||||
| 491 | N | 41.4 | Very low | 41 | Very low | 159 Ų | 159 | 131 Ų | 131 | 85% | 0.85 | 76% | 0.762 | S | S | * | * | -142.9 | 146.8 | 102.6 | -159 | 11 | 0 | 0 | 0 | 113.2 | |||||
| 492 | N | 40.8 | Very low | 40.8 | Very low | 102 Ų | 102 | 129.8 Ų | 129.8 | 55% | 0.545 | 76% | 0.762 | S | S | . | * | trans | -76.7 | 170.4 | -175 | -81.9 | -47.1 | 0 | 0 | 0 | 113.6 | ||||
| 493 | K | 43.1 | Very low | 40.6 | Very low | 186 Ų | 186 | 129.6 Ų | 129.6 | 81% | 0.809 | 76% | 0.763 | S | S | * | * | cis | -166.7 | 156.3 | 8.2 | -119.8 | 158 | -164.9 | 178.9 | 0 | 110.4 | ||||
| 494 | G | 38.8 | Very low | 41 | Very low | 67 Ų | 67 | 130.9 Ų | 130.9 | 69% | 0.691 | 77% | 0.769 | S | S | * | * | trans | 118.9 | 90.9 | 162.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 495 | I | 40.7 | Very low | 40.8 | Very low | 154 Ų | 154 | 128.5 Ų | 128.5 | 79% | 0.79 | 76% | 0.761 | S | S | * | * | 63.2 | 104.3 | 68.4 | -60.3 | 170.4 | 0 | 0 | 0 | 110.4 | |||||
| 496 | L | 42 | Very low | 40.8 | Very low | 156 Ų | 156 | 129.4 Ų | 129.4 | 82% | 0.817 | 77% | 0.768 | S | S | * | * | -150.6 | 140.3 | 66.5 | -83.9 | 167 | 0 | 0 | 0 | 116.7 | |||||
| 497 | S | 37.9 | Very low | 40.2 | Very low | 109 Ų | 109 | 135 Ų | 135 | 76% | 0.762 | 77% | 0.773 | S | S | * | * | trans | 36.1 | 116.1 | 146 | 55.9 | 0 | 0 | 0 | 0 | 124.7 | ||||
| 498 | L | 33.6 | Very low | 40 | Very low | 156 Ų | 156 | 134.8 Ų | 134.8 | 82% | 0.817 | 77% | 0.772 | S | S | * | * | trans | -68.2 | 177.5 | 150.2 | -121.5 | 74.9 | 0 | 0 | 0 | 111.9 | ||||
| 499 | P | 42.8 | Very low | 40.1 | Very low | 110 Ų | 110 | 136 Ų | 136 | 71% | 0.714 | 78% | 0.777 | S | S | * | * | cis | -153.2 | 165.2 | 47.4 | 42.6 | -21.4 | 0 | 0 | 0 | 120.7 | ||||
| 500 | H | 40.2 | Very low | 39.8 | Very low | 157 Ų | 157 | 136 Ų | 136 | 73% | 0.727 | 78% | 0.78 | S | S | * | * | trans | 57.2 | 146.9 | 147.5 | -80.7 | 16.6 | 0 | 0 | 0 | 119.9 | ||||
| 501 | Q | 36.1 | Very low | 39.8 | Very low | 166 Ų | 166 | 137.1 Ų | 137.1 | 78% | 0.776 | 79% | 0.786 | S | S | * | * | cis | -157.6 | 170.7 | 7 | -139.5 | 179.4 | 27.8 | 0 | 0 | 110.6 | ||||
| 502 | A | 36.6 | Very low | 40.1 | Very low | 95 Ų | 95 | 134.8 Ų | 134.8 | 79% | 0.785 | 78% | 0.78 | S | S | * | * | trans | 76.8 | 134 | 159.6 | 0 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 503 | S | 36.5 | Very low | 39.8 | Very low | 114 Ų | 114 | 134.9 Ų | 134.9 | 80% | 0.797 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -47.8 | 144.3 | -174.3 | -46.6 | 0 | 0 | 0 | 0 | 118.8 | ||
| 504 | P | 40.8 | Very low | 39.8 | Very low | 130 Ų | 130 | 132.8 Ų | 132.8 | 84% | 0.844 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -86.4 | 120 | 169.1 | 33.5 | -30.4 | 0 | 0 | 0 | 112.3 | ||
| 505 | V | 43.9 | Very low | 39.6 | Very low | 126 Ų | 126 | 136.6 Ų | 136.6 | 76% | 0.764 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -78.9 | 134.8 | 162 | 174.5 | 0 | 0 | 0 | 0 | 109.1 | R507 | V505-R507 PolarHBondContact O-N 3.03Å; V505-R507 VanDerWaalsContact O-N 3.14Å |
| 506 | S | 37 | Very low | 39.2 | Very low | 122 Ų | 122 | 134.8 Ų | 134.8 | 85% | 0.853 | 80% | 0.798 | S | S | * | * | trans | -51.9 | 114.9 | 178.9 | -57.1 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 507 | R | 40.7 | Very low | 38.8 | Very low | 236 Ų | 236 | 131.7 Ų | 131.7 | 89% | 0.891 | 79% | 0.789 | S | S | * | * | trans | -128.9 | 148.8 | 168.4 | -75.1 | -170 | 175.3 | -168.3 | -0.1 | 111.1 | V505 | V505-R507 PolarHBondContact O-N 3.03Å; V505-R507 VanDerWaalsContact O-N 3.14Å | ||
| 508 | T | 37.5 | Very low | 38.7 | Very low | 127 Ų | 127 | 137.8 Ų | 137.8 | 78% | 0.779 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 148.5 | -174.9 | 41.6 | 0 | 0 | 0 | 0 | 114.3 | S510 | T508-S510 PolarHBondContact O-N 3.31Š|
| 509 | P | 46.4 | Very low | 38.8 | Very low | 129 Ų | 129 | 137.8 Ų | 137.8 | 84% | 0.838 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -70.8 | 119.8 | 170.6 | 30 | -32.8 | 0 | 0 | 0 | 110.8 | ||
| 510 | S | 39.5 | Very low | 38.2 | Very low | 113 Ų | 113 | 139.3 Ų | 139.3 | 79% | 0.79 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -78.1 | 142.9 | 167.6 | 42.9 | 0 | 0 | 0 | 0 | 111 | T508 | T508-S510 PolarHBondContact O-N 3.31Š|
| 511 | L | 39.4 | Very low | 37.8 | Very low | 165 Ų | 165 | 138.1 Ų | 138.1 | 86% | 0.864 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -71.8 | 144.6 | 172.2 | -73.9 | 160.7 | 0 | 0 | 0 | 110.6 | ||
| 512 | P | 47 | Very low | 37.8 | Very low | 111 Ų | 111 | 134.5 Ų | 134.5 | 72% | 0.721 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -73.4 | 141.4 | 169.4 | 31.4 | -33.3 | 0 | 0 | 0 | 110.6 | ||
| 513 | A | 35.8 | Very low | 37.9 | Very low | 104 Ų | 104 | 137.7 Ų | 137.7 | 86% | 0.86 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 140.9 | 168.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||
| 514 | V | 42.4 | Very low | 38 | Very low | 141 Ų | 141 | 138.7 Ų | 138.7 | 86% | 0.855 | 79% | 0.794 | S | S | * | * | trans | -119.5 | 135 | 165.2 | 176.2 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 515 | D | 35.6 | Very low | 37.7 | Very low | 148 Ų | 148 | 140 Ų | 140 | 79% | 0.791 | 79% | 0.788 | S | S | * | * | trans | -80.3 | 178.7 | -165.3 | -145.2 | -26.5 | 0 | 0 | 0 | 113.7 | ||||
| 516 | T | 30.9 | Very low | 37.3 | Very low | 115 Ų | 115 | 140 Ų | 140 | 71% | 0.706 | 78% | 0.784 | S | S | * | * | trans | -81.6 | 167.3 | -157 | -45.1 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 517 | S | 34.1 | Very low | 37.3 | Very low | 92 Ų | 92 | 144.3 Ų | 144.3 | 64% | 0.643 | 78% | 0.783 | S | S | * | * | trans | 78.1 | 107.5 | 167.2 | 75.6 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 518 | Y | 36.6 | Very low | 37 | Very low | 237 Ų | 237 | 144.4 Ų | 144.4 | 93% | 0.929 | 78% | 0.784 | S | S | * | * | -158.8 | 135 | 108.7 | -98.6 | -70.9 | 0 | 0 | 0 | 109.9 | |||||
| 519 | I | 35.2 | Very low | 37 | Very low | 155 Ų | 155 | 145.1 Ų | 145.1 | 80% | 0.795 | 78% | 0.778 | S | S | * | * | trans | -84.8 | 134.7 | -175.7 | -65.5 | 159.6 | 0 | 0 | 0 | 109.5 | ||||
| 520 | N | 30.1 | Very low | 36.4 | Very low | 143 Ų | 143 | 144 Ų | 144 | 77% | 0.765 | 77% | 0.77 | S | S | * | * | -155.4 | 113.1 | 129.8 | -147.5 | -15.4 | 0 | 0 | 0 | 112.8 | |||||
| 521 | T | 32 | Very low | 36.3 | Very low | 132 Ų | 132 | 146.9 Ų | 146.9 | 81% | 0.81 | 77% | 0.769 | S | S | * | * | trans | -118.1 | 110.9 | 173.2 | -42.3 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 522 | S | 35.2 | Very low | 36 | Very low | 89 Ų | 89 | 147 Ų | 147 | 62% | 0.622 | 77% | 0.765 | S | S | * | * | trans | -159.1 | 150.7 | 175.9 | -67.2 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 523 | L | 39.7 | Very low | 35.2 | Very low | 163 Ų | 163 | 150.1 Ų | 150.1 | 85% | 0.853 | 77% | 0.772 | S | S | * | * | trans | 77.3 | 99.8 | -169.8 | -51.2 | 175.2 | 0 | 0 | 0 | 113.6 | ||||
| 524 | I | 38.8 | Very low | 35.2 | Very low | 135 Ų | 135 | 151.5 Ų | 151.5 | 69% | 0.692 | 77% | 0.769 | S | S | * | * | cis | 61.6 | 119.5 | 14.3 | -57.2 | -177.9 | 0 | 0 | 0 | 110 | ||||
| 525 | Q | 34.9 | Very low | 34.8 | Very low | 156 Ų | 156 | 150.4 Ų | 150.4 | 73% | 0.729 | 77% | 0.765 | S | S | * | * | cis | -158.3 | 168.3 | 25.8 | -130.8 | 154.1 | -29.8 | 0 | 0 | 111 | ||||
| 526 | D | 35.7 | Very low | 35 | Very low | 127 Ų | 127 | 152 Ų | 152 | 68% | 0.679 | 77% | 0.77 | S | S | * | * | trans | 53.2 | 110.8 | 148.9 | -55.2 | -31.3 | 0 | 0 | 0 | 121.7 | ||||
| 527 | Y | 35.9 | Very low | 35.3 | Very low | 213 Ų | 213 | 151.3 Ų | 151.3 | 84% | 0.835 | 77% | 0.768 | S | S | * | * | -153.3 | 108.6 | 120 | -112.2 | -73.7 | 0 | 0 | 0 | 110.2 | H529 | Y527-H529 AromaticContact CD1-CD2 3.82Å; Y527-H529 AromaticContact CE1-CD2 3.72Å; Y527-H529 AromaticContact CE1-NE2 3.83Å | |||
| 528 | R | 33.8 | Very low | 35.3 | Very low | 238 Ų | 238 | 156.7 Ų | 156.7 | 90% | 0.898 | 78% | 0.775 | S | S | * | * | trans | -131.2 | 97.2 | 175.4 | -158.5 | 179.9 | -166.2 | 165.3 | 4.2 | 109.2 | ||||
| 529 | H | 37.2 | Very low | 35.3 | Very low | 142 Ų | 142 | 150.8 Ų | 150.8 | 66% | 0.657 | 76% | 0.76 | S | S | * | * | trans | -115.5 | 122.7 | 171.3 | -84.4 | -55.4 | 0 | 0 | 0 | 110.5 | Y527 | Y527-H529 AromaticContact CD1-CD2 3.82Å; Y527-H529 AromaticContact CE1-CD2 3.72Å; Y527-H529 AromaticContact CE1-NE2 3.83Å | ||
| 530 | P | 33.8 | Very low | 35.5 | Very low | 104 Ų | 104 | 151.9 Ų | 151.9 | 68% | 0.675 | 77% | 0.766 | S | S | * | * | trans | -105.1 | 113.3 | 174.9 | 34.6 | -24.8 | 0 | 0 | 0 | 110.9 | ||||
| 531 | F | 37.6 | Very low | 35.8 | Very low | 174 Ų | 174 | 153.1 Ų | 153.1 | 76% | 0.763 | 77% | 0.767 | S | S | * | * | trans | -139.9 | 114.6 | 169.2 | -73.8 | -68.3 | 0 | 0 | 0 | 114 | ||||
| 532 | H | 34.2 | Very low | 35.8 | Very low | 168 Ų | 168 | 150 Ų | 150 | 78% | 0.778 | 76% | 0.761 | S | S | * | * | trans | 42.1 | 111.5 | 145.9 | -84.1 | -86.3 | 0 | 0 | 0 | 121 | ||||
| 533 | M | 29.3 | Very low | 36 | Very low | 177 Ų | 177 | 154 Ų | 154 | 87% | 0.872 | 78% | 0.775 | S | S | * | * | trans | -69.7 | 140.7 | 148.8 | -74.1 | -80.2 | 109.4 | 0 | 0 | 110.9 | ||||
| 534 | T | 36.6 | Very low | 35.7 | Very low | 132 Ų | 132 | 153.3 Ų | 153.3 | 81% | 0.81 | 77% | 0.772 | S | S | * | * | trans | -128.3 | 127.5 | 157.7 | 36.3 | 0 | 0 | 0 | 0 | 109 | ||||
| 535 | P | 33.4 | Very low | 35.7 | Very low | 118 Ų | 118 | 156 Ų | 156 | 77% | 0.766 | 78% | 0.779 | S | S | * | * | trans | -94.1 | 141.5 | -179.1 | 35.3 | -32.3 | 0 | 0 | 0 | 111.8 | ||||
| 536 | M | 39.7 | Very low | 35.6 | Very low | 181 Ų | 181 | 158.8 Ų | 158.8 | 89% | 0.892 | 79% | 0.789 | S | S | * | * | trans | -150.5 | 157.8 | 165.5 | -87.3 | -45.7 | -92.3 | 0 | 0 | 110.4 | ||||
| 537 | P | 38 | Very low | 35.6 | Very low | 101 Ų | 101 | 158 Ų | 158 | 66% | 0.656 | 79% | 0.791 | S | S | * | * | -123.2 | -174.9 | -122.2 | 42.6 | -33.4 | 0 | 0 | 0 | 115.9 | |||||
| 538 | Y | 34 | Very low | 35.6 | Very low | 206 Ų | 206 | 156.4 Ų | 156.4 | 81% | 0.808 | 79% | 0.789 | S | S | * | * | trans | -25.9 | 141.6 | 157.3 | -80.3 | -107.7 | 0 | 0 | 0 | 113.1 | ||||
| 539 | D | 35.4 | Very low | 35.9 | Very low | 113 Ų | 113 | 153 Ų | 153 | 60% | 0.604 | 79% | 0.787 | S | S | * | * | cis | -170.8 | 142.6 | 47.3 | -126.7 | -39.6 | 0 | 0 | 0 | 110 | ||||
| 540 | L | 39.5 | Very low | 35.6 | Very low | 177 Ų | 177 | 151.4 Ų | 151.4 | 93% | 0.927 | 79% | 0.793 | S | S | * | * | trans | -157.8 | 105 | 144.3 | -155.2 | 71.2 | 0 | 0 | 0 | 110.4 | ||||
| 541 | Q | 37.1 | Very low | 35.7 | Very low | 169 Ų | 169 | 149.3 Ų | 149.3 | 79% | 0.79 | 79% | 0.79 | S | S | * | * | trans | -80 | 157.3 | 177.7 | -62.9 | 174.6 | -7.6 | 0 | 0 | 112 | ||||
| 542 | G | 32.5 | Very low | 35.6 | Very low | 66 Ų | 66 | 148.1 Ų | 148.1 | 68% | 0.68 | 79% | 0.791 | S | S | * | * | trans | 107.2 | 96 | 152.2 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 543 | L | 38.7 | Very low | 35.6 | Very low | 174 Ų | 174 | 146 Ų | 146 | 91% | 0.911 | 79% | 0.786 | S | S | * | * | -174.3 | 100 | 104.4 | -93.9 | 172.1 | 0 | 0 | 0 | 109.7 | |||||
| 544 | D | 34 | Very low | 35.9 | Very low | 149 Ų | 149 | 144.5 Ų | 144.5 | 80% | 0.797 | 78% | 0.777 | S | S | * | * | trans | -70.3 | 148.9 | 170.1 | -67.2 | -71.6 | 0 | 0 | 0 | 112.1 | ||||
| 545 | F | 37.6 | Very low | 35.9 | Very low | 191 Ų | 191 | 145.4 Ų | 145.4 | 84% | 0.838 | 77% | 0.771 | S | S | * | * | trans | -167.5 | 98.1 | 141.4 | -98.4 | -65.3 | 0 | 0 | 0 | 110.3 | ||||
| 546 | F | 33.9 | Very low | 36 | Very low | 215 Ų | 215 | 149.6 Ų | 149.6 | 94% | 0.943 | 77% | 0.773 | S | S | * | * | trans | -179.6 | 117.9 | 145.6 | -88 | -56.5 | 0 | 0 | 0 | 110.3 | ||||
| 547 | P | 36.4 | Very low | 35.6 | Very low | 111 Ų | 111 | 149 Ų | 149 | 72% | 0.721 | 77% | 0.774 | S | S | * | * | trans | -119 | 146.2 | 166.8 | 36.4 | -26.1 | 0 | 0 | 0 | 113.9 | ||||
| 548 | F | 35 | Very low | 35.5 | Very low | 178 Ų | 178 | 150.5 Ų | 150.5 | 78% | 0.781 | 78% | 0.781 | S | S | * | * | trans | 63.8 | 130.1 | 156.6 | -93.6 | -116.3 | 0 | 0 | 0 | 117.9 | ||||
| 549 | L | 39.3 | Very low | 35.6 | Very low | 166 Ų | 166 | 145.9 Ų | 145.9 | 87% | 0.869 | 78% | 0.779 | S | S | * | * | -145.9 | 143.1 | 59.4 | -87.5 | 157.8 | 0 | 0 | 0 | 113.7 | |||||
| 550 | S | 31.8 | Very low | 35.5 | Very low | 110 Ų | 110 | 148.5 Ų | 148.5 | 77% | 0.769 | 79% | 0.792 | S | S | * | * | trans | -92.6 | 161.8 | 170.6 | -55.5 | 0 | 0 | 0 | 0 | 112 | ||||
| 551 | G | 36.2 | Very low | 35.2 | Very low | 59 Ų | 59 | 148.7 Ų | 148.7 | 61% | 0.608 | 79% | 0.793 | S | S | * | * | trans | 136.5 | 95.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 552 | D | 34.7 | Very low | 34.9 | Very low | 149 Ų | 149 | 145.6 Ų | 145.6 | 80% | 0.797 | 80% | 0.797 | S | S | * | * | 80.7 | 133.9 | 93.3 | -85.5 | -44.7 | 0 | 0 | 0 | 112.7 | |||||
| 553 | N | 34.2 | Very low | 34.9 | Very low | 124 Ų | 124 | 147.6 Ų | 147.6 | 66% | 0.663 | 81% | 0.806 | S | S | * | * | cis | -163.7 | 168.6 | -12.9 | -154 | -39.2 | 0 | 0 | 0 | 108.9 | ||||
| 554 | Q | 35.1 | Very low | 34.6 | Very low | 145 Ų | 145 | 144.3 Ų | 144.3 | 68% | 0.678 | 81% | 0.805 | S | S | * | * | trans | 75.6 | 118.7 | 155.2 | -59.5 | -167.5 | -6.7 | 0 | 0 | 123 | ||||
| 555 | H | 37.2 | Very low | 34.7 | Very low | 151 Ų | 151 | 141.9 Ų | 141.9 | 70% | 0.699 | 81% | 0.805 | S | S | * | * | trans | 106.5 | 135.1 | 132.2 | -70 | -36.7 | 0 | 0 | 0 | 122.4 | ||||
| 556 | Y | 35.6 | Very low | 34.4 | Very low | 207 Ų | 207 | 138 Ų | 138 | 81% | 0.812 | 81% | 0.809 | S | S | * | * | trans | 65.8 | 92.1 | 171.1 | -65.1 | -73.6 | 0 | 0 | 0 | 120.2 | ||||
| 557 | N | 32.3 | Very low | 34.6 | Very low | 168 Ų | 168 | 132.3 Ų | 132.3 | 90% | 0.898 | 80% | 0.801 | S | S | * | * | trans | -149 | 97.8 | 145.7 | -111.8 | -46.8 | 0 | 0 | 0 | 110 | ||||
| 558 | T | 34.3 | Very low | 34.6 | Very low | 133 Ų | 133 | 133.6 Ų | 133.6 | 82% | 0.816 | 81% | 0.807 | S | S | * | * | trans | -150.9 | 89.8 | 176.1 | -51.1 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 559 | S | 36.8 | Very low | 34.7 | Very low | 109 Ų | 109 | 130.4 Ų | 130.4 | 76% | 0.762 | 81% | 0.806 | S | S | * | * | trans | 174.3 | 97 | 151 | 44.6 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 560 | L | 34.4 | Very low | 34.7 | Very low | 168 Ų | 168 | 130.1 Ų | 130.1 | 88% | 0.88 | 81% | 0.806 | S | S | * | * | S | Bend | trans | 154.9 | 75 | 138.9 | -107 | 87.7 | 0 | 0 | 0 | 111.8 | ||
| 561 | L | 33.1 | Very low | 35.2 | Very low | 181 Ų | 181 | 132.8 Ų | 132.8 | 95% | 0.948 | 81% | 0.811 | S | S | * | * | trans | -170.7 | 67.7 | 158 | -115.5 | 153.1 | 0 | 0 | 0 | 112.9 | ||||
| 562 | A | 30.4 | Very low | 35.1 | Very low | 104 Ų | 104 | 137.5 Ų | 137.5 | 86% | 0.86 | 82% | 0.817 | S | S | * | * | trans | -165 | 88.2 | 167.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 563 | A | 31.6 | Very low | 35.2 | Very low | 107 Ų | 107 | 136.2 Ų | 136.2 | 88% | 0.884 | 81% | 0.811 | S | S | * | * | trans | -165.5 | 58.2 | 171.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 564 | A | 33.6 | Very low | 35.2 | Very low | 106 Ų | 106 | 136.8 Ų | 136.8 | 88% | 0.876 | 81% | 0.813 | S | S | * | * | S | Bend | trans | -166.6 | 57.3 | 169.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 565 | A | 35.5 | Very low | 35.3 | Very low | 98 Ų | 98 | 136 Ų | 136 | 81% | 0.81 | 81% | 0.813 | S | S | * | * | S | Bend | trans | -156.6 | 138.6 | 167.8 | 0 | 0 | 0 | 0 | 0 | 112 | ||
| 566 | A | 32.3 | Very low | 35.1 | Very low | 110 Ų | 110 | 137.2 Ų | 137.2 | 91% | 0.909 | 82% | 0.818 | S | S | * | * | trans | 56.2 | 98.5 | 164.7 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 567 | A | 36.3 | Very low | 35 | Very low | 95 Ų | 95 | 132.5 Ų | 132.5 | 79% | 0.785 | 82% | 0.816 | S | S | * | * | trans | -134.1 | 159.1 | 146.3 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 568 | V | 37.6 | Very low | 34.8 | Very low | 138 Ų | 138 | 129.4 Ų | 129.4 | 84% | 0.836 | 81% | 0.807 | S | S | * | * | trans | 71.6 | 81.4 | -170 | -161.4 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 569 | S | 37.7 | Very low | 34.9 | Very low | 110 Ų | 110 | 134.3 Ų | 134.3 | 77% | 0.769 | 81% | 0.811 | S | S | * | * | 85.5 | 123.7 | 69.1 | -66.9 | 0 | 0 | 0 | 0 | 113 | |||||
| 570 | D | 37.6 | Very low | 34.9 | Very low | 161 Ų | 161 | 137.1 Ų | 137.1 | 86% | 0.861 | 81% | 0.809 | S | S | * | * | trans | -53.9 | 143.7 | 170.9 | -64.1 | -86.8 | 0 | 0 | 0 | 112.7 | ||||
| 571 | D | 42.3 | Very low | 35.1 | Very low | 165 Ų | 165 | 138.1 Ų | 138.1 | 88% | 0.882 | 81% | 0.807 | S | S | * | * | -145.8 | 154.6 | 117.8 | -140.9 | -40.7 | 0 | 0 | 0 | 109.7 | |||||
| 572 | Q | 34.1 | Very low | 35.4 | Very low | 158 Ų | 158 | 134.1 Ų | 134.1 | 74% | 0.738 | 79% | 0.792 | S | S | * | * | trans | -103.3 | 177.6 | -166.3 | -160.1 | 167.1 | -4.3 | 0 | 0 | 111 | ||||
| 573 | D | 36.8 | Very low | 35.7 | Very low | 123 Ų | 123 | 139.7 Ų | 139.7 | 66% | 0.658 | 79% | 0.792 | S | S | * | * | trans | 88.8 | 122.7 | 149.6 | -83.7 | -19.6 | 0 | 0 | 0 | 122.6 | ||||
| 574 | L | 35.5 | Very low | 35.9 | Very low | 135 Ų | 135 | 139.2 Ų | 139.2 | 71% | 0.707 | 78% | 0.779 | S | S | * | * | trans | 87.8 | 107.5 | 134.2 | -65.3 | 168.1 | 0 | 0 | 0 | 121.8 | ||||
| 575 | L | 36.8 | Very low | 35.8 | Very low | 130 Ų | 130 | 139.3 Ų | 139.3 | 68% | 0.681 | 77% | 0.773 | S | S | * | * | 83.9 | 108.7 | 129.4 | -60.3 | 174.8 | 0 | 0 | 0 | 121.1 | |||||
| 576 | H | 33.3 | Very low | 35.9 | Very low | 175 Ų | 175 | 140.4 Ų | 140.4 | 81% | 0.81 | 77% | 0.774 | S | S | * | * | 48.1 | 144 | 114.9 | -71.6 | 103.2 | 0 | 0 | 0 | 122.8 | |||||
| 577 | S | 32.4 | Very low | 36 | Very low | 109 Ų | 109 | 143.8 Ų | 143.8 | 76% | 0.762 | 77% | 0.771 | S | S | * | * | trans | 93.5 | 92.6 | 155.9 | -61.3 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 578 | S | 29.3 | Very low | 36.2 | Very low | 102 Ų | 102 | 148.4 Ų | 148.4 | 71% | 0.713 | 78% | 0.779 | S | S | * | * | trans | -17.3 | 138.9 | 136.5 | 47.4 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 579 | R | 36.5 | Very low | 36 | Very low | 236 Ų | 236 | 149.8 Ų | 149.8 | 89% | 0.891 | 77% | 0.774 | S | S | * | * | trans | -169.6 | 115.2 | 137 | -96.5 | 152.6 | -161.3 | -148.8 | 6.7 | 108.4 | ||||
| 580 | F | 37 | Very low | 36 | Very low | 168 Ų | 168 | 152 Ų | 152 | 74% | 0.737 | 78% | 0.777 | S | S | * | * | 65.7 | 107.9 | 88.1 | -88.3 | -76.1 | 0 | 0 | 0 | 115.3 | |||||
| 581 | F | 37.9 | Very low | 35.9 | Very low | 190 Ų | 190 | 149.9 Ų | 149.9 | 83% | 0.833 | 77% | 0.765 | S | S | * | * | 171.9 | 166.7 | 102.7 | -85.6 | -55.9 | 0 | 0 | 0 | 112.1 | |||||
| 582 | P | 39.8 | Very low | 35.7 | Very low | 97 Ų | 97 | 150.6 Ų | 150.6 | 63% | 0.63 | 76% | 0.763 | S | S | * | * | trans | -130.3 | -179.8 | -152.7 | 39.7 | -20.3 | 0 | 0 | 0 | 114.7 | ||||
| 583 | Y | 35.8 | Very low | 35.6 | Very low | 221 Ų | 221 | 150.8 Ų | 150.8 | 87% | 0.867 | 77% | 0.769 | S | S | * | * | trans | -171 | 96.2 | 154.6 | -119.3 | -87 | 0 | 0 | 0 | 107.9 | ||||
| 584 | T | 35.9 | Very low | 35.6 | Very low | 97 Ų | 97 | 151 Ų | 151 | 60% | 0.595 | 78% | 0.78 | S | S | * | * | 57.1 | 97.6 | 85 | 69.2 | 0 | 0 | 0 | 0 | 116.7 | |||||
| 585 | S | 31.3 | Very low | 35.7 | Very low | 108 Ų | 108 | 149.7 Ų | 149.7 | 76% | 0.755 | 79% | 0.788 | S | S | * | * | trans | 30.7 | 135.6 | 136 | 60.6 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 586 | S | 38.1 | Very low | 35.7 | Very low | 120 Ų | 120 | 147.5 Ų | 147.5 | 84% | 0.839 | 80% | 0.797 | S | S | * | * | -167.6 | 145.9 | 114.2 | -81 | 0 | 0 | 0 | 0 | 113 | |||||
| 587 | Q | 34.8 | Very low | 35.8 | Very low | 181 Ų | 181 | 142.4 Ų | 142.4 | 85% | 0.846 | 79% | 0.791 | S | S | * | * | trans | -72.2 | 149.7 | 160.5 | -63.2 | 171.1 | -51.1 | 0 | 0 | 109.6 | ||||
| 588 | M | 39.6 | Very low | 36.1 | Very low | 193 Ų | 193 | 142.6 Ų | 142.6 | 95% | 0.951 | 79% | 0.793 | S | S | * | * | trans | -150.4 | 147.8 | 142.4 | -94.4 | -50.6 | 141.9 | 0 | 0 | 111.6 | ||||
| 589 | F | 33.9 | Very low | 36.7 | Very low | 166 Ų | 166 | 145.1 Ų | 145.1 | 73% | 0.728 | 80% | 0.804 | S | S | * | * | trans | -105.8 | 139.9 | -180 | 177.4 | -80.8 | 0 | 0 | 0 | 108.1 | ||||
| 590 | L | 38.1 | Very low | 36.8 | Very low | 158 Ų | 158 | 138.7 Ų | 138.7 | 83% | 0.827 | 80% | 0.795 | S | S | * | * | trans | -153.9 | 113.9 | 163.9 | -153.6 | 74 | 0 | 0 | 0 | 112.8 | ||||
| 591 | D | 35.2 | Very low | 36.9 | Very low | 116 Ų | 116 | 138.6 Ų | 138.6 | 62% | 0.62 | 80% | 0.802 | S | S | * | * | trans | -67.3 | 150.2 | 159.5 | -89 | -57.6 | 0 | 0 | 0 | 111.1 | ||||
| 592 | Q | 36.8 | Very low | 37 | Very low | 180 Ų | 180 | 134.3 Ų | 134.3 | 84% | 0.841 | 79% | 0.793 | S | S | * | * | trans | -146.8 | 98.8 | 149.6 | -140.5 | 169.7 | 67.9 | 0 | 0 | 112.7 | ||||
| 593 | L | 33.2 | Very low | 36.8 | Very low | 162 Ų | 162 | 135.6 Ų | 135.6 | 85% | 0.848 | 80% | 0.799 | S | S | * | * | trans | -76.3 | 140.1 | 157.4 | -77.3 | 161.1 | 0 | 0 | 0 | 109.2 | ||||
| 594 | S | 36.6 | Very low | 37 | Very low | 128 Ų | 128 | 132.1 Ų | 132.1 | 90% | 0.895 | 80% | 0.801 | S | S | * | * | trans | -154.7 | 142.1 | 153.4 | -131.3 | 0 | 0 | 0 | 0 | 111 | ||||
| 595 | A | 36.6 | Very low | 37.1 | Very low | 107 Ų | 107 | 135.5 Ų | 135.5 | 88% | 0.884 | 82% | 0.815 | S | S | * | * | trans | -122.5 | 163.3 | -166.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 596 | G | 37.7 | Very low | 37.5 | Very low | 84 Ų | 84 | 134.1 Ų | 134.1 | 87% | 0.866 | 82% | 0.819 | S | S | * | * | trans | 119.9 | 133.7 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 597 | G | 35.8 | Very low | 37.5 | Very low | 67 Ų | 67 | 134.5 Ų | 134.5 | 69% | 0.691 | 82% | 0.821 | S | S | * | * | cis | -177.6 | 150.4 | -6.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 598 | S | 38.2 | Very low | 37.9 | Very low | 114 Ų | 114 | 131.8 Ų | 131.8 | 80% | 0.797 | 82% | 0.822 | S | S | * | * | trans | 36.2 | 117.3 | 152.1 | 58.1 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 599 | T | 41.2 | Very low | 37.9 | Very low | 154 Ų | 154 | 128.6 Ų | 128.6 | 95% | 0.945 | 82% | 0.819 | S | S | * | * | -159.6 | 154.1 | 115.9 | 9.7 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 600 | S | 39.8 | Very low | 38.4 | Very low | 101 Ų | 101 | 124.4 Ų | 124.4 | 71% | 0.706 | 82% | 0.822 | S | S | * | * | trans | -110.2 | 155.1 | -167.7 | 47.3 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 601 | L | 39.6 | Very low | 38.5 | Very low | 167 Ų | 167 | 122 Ų | 122 | 87% | 0.874 | 82% | 0.819 | S | S | * | * | 166.6 | 147.3 | 124.5 | -87.4 | 158 | 0 | 0 | 0 | 111.9 | |||||
| 602 | P | 39.1 | Very low | 38.6 | Very low | 100 Ų | 100 | 124 Ų | 124 | 65% | 0.649 | 83% | 0.83 | S | S | * | * | trans | -117.7 | 179.3 | -172.8 | 43.5 | -34.6 | 0 | 0 | 0 | 115.8 | ||||
| 603 | T | 36.4 | Very low | 38.8 | Very low | 124 Ų | 124 | 121.5 Ų | 121.5 | 76% | 0.761 | 83% | 0.832 | S | S | * | * | trans | 70.6 | 124.2 | 161.6 | 62.7 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 604 | T | 40.2 | Very low | 38.9 | Very low | 147 Ų | 147 | 118.8 Ų | 118.8 | 90% | 0.902 | 83% | 0.827 | S | S | * | * | -179.8 | 165.1 | 108.6 | 29.3 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 605 | N | 37.8 | Very low | 39.3 | Very low | 168 Ų | 168 | 120.9 Ų | 120.9 | 90% | 0.898 | 83% | 0.827 | S | S | * | * | trans | -74.2 | 157.9 | -171.2 | -70.5 | -28.8 | 0 | 0 | 0 | 115.3 | ||||
| 606 | G | 39.4 | Very low | 39.5 | Very low | 80 Ų | 80 | 122.1 Ų | 122.1 | 83% | 0.825 | 82% | 0.823 | S | S | * | * | trans | -167.2 | 103.7 | 162.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 607 | S | 37.2 | Very low | 39.6 | Very low | 128 Ų | 128 | 123.9 Ų | 123.9 | 90% | 0.895 | 82% | 0.822 | S | S | * | * | trans | -96 | 135.3 | 177.8 | -54.4 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 608 | S | 44.3 | Very low | 39.7 | Very low | 123 Ų | 123 | 125.8 Ų | 125.8 | 86% | 0.86 | 83% | 0.825 | S | S | * | * | trans | -154.8 | 128.5 | 161.1 | 59.2 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 609 | S | 39.5 | Very low | 40.1 | Very low | 126 Ų | 126 | 128.8 Ų | 128.8 | 88% | 0.881 | 83% | 0.832 | S | S | * | * | trans | -89 | 153.8 | -179.4 | 41.3 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 610 | G | 43.8 | Very low | 39.8 | Very low | 78 Ų | 78 | 126.9 Ų | 126.9 | 80% | 0.804 | 83% | 0.825 | S | S | * | * | trans | -154.6 | 133.1 | 172 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 611 | S | 40.3 | Very low | 39.9 | Very low | 108 Ų | 108 | 129.5 Ų | 129.5 | 76% | 0.755 | 83% | 0.83 | S | S | * | * | trans | -111.2 | 151.6 | -158.9 | -57 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 612 | N | 36.9 | Very low | 39.8 | Very low | 158 Ų | 158 | 131.3 Ų | 131.3 | 85% | 0.845 | 83% | 0.826 | S | S | * | * | trans | 28.4 | 133.6 | 143.7 | -61.2 | -10.3 | 0 | 0 | 0 | 121.4 | ||||
| 613 | S | 40.2 | Very low | 39.8 | Very low | 127 Ų | 127 | 133 Ų | 133 | 89% | 0.888 | 83% | 0.825 | S | S | * | * | -162.2 | 143.8 | 116.7 | 49.5 | 0 | 0 | 0 | 0 | 113 | |||||
| 614 | S | 37.1 | Very low | 39.8 | Very low | 105 Ų | 105 | 131 Ų | 131 | 73% | 0.734 | 82% | 0.816 | S | S | * | * | trans | -111.8 | 159.1 | 175.7 | 53.9 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 615 | L | 44.3 | Very low | 39.8 | Very low | 173 Ų | 173 | 132.7 Ų | 132.7 | 91% | 0.906 | 81% | 0.813 | S | S | * | * | trans | -134.2 | 126.8 | 164.9 | -75.3 | 177 | 0 | 0 | 0 | 111.3 | ||||
| 616 | V | 40.1 | Very low | 39.6 | Very low | 132 Ų | 132 | 129 Ų | 129 | 80% | 0.8 | 80% | 0.801 | S | S | * | * | trans | -129.8 | 133.9 | 168.8 | -175.9 | 0 | 0 | 0 | 0 | 106 | ||||
| 617 | S | 40.7 | Very low | 39.6 | Very low | 121 Ų | 121 | 134.7 Ų | 134.7 | 85% | 0.846 | 81% | 0.805 | S | S | * | * | trans | -114.5 | 113.3 | -179 | -62.7 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 618 | S | 38.4 | Very low | 39.2 | Very low | 108 Ų | 108 | 134.8 Ų | 134.8 | 76% | 0.755 | 80% | 0.801 | S | S | * | * | trans | -127.5 | 120.9 | 170.2 | -65.8 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 619 | N | 45 | Very low | 38.9 | Very low | 177 Ų | 177 | 135 Ų | 135 | 95% | 0.947 | 80% | 0.796 | S | S | * | * | trans | -107 | 130.5 | 173.9 | -96.3 | -4.8 | 0 | 0 | 0 | 110.7 | ||||
| 620 | S | 36 | Very low | 38.7 | Very low | 113 Ų | 113 | 135 Ų | 135 | 79% | 0.79 | 79% | 0.791 | S | S | * | * | trans | -155.6 | 112.6 | 173.9 | 178.7 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 621 | L | 41.5 | Very low | 38.1 | Very low | 157 Ų | 157 | 138.8 Ų | 138.8 | 82% | 0.822 | 79% | 0.793 | S | S | * | * | trans | -148.9 | 126.7 | 160.2 | -70.6 | 178.4 | 0 | 0 | 0 | 105.2 | ||||
| 622 | R | 38.6 | Very low | 37.9 | Very low | 205 Ų | 205 | 145.7 Ų | 145.7 | 77% | 0.774 | 80% | 0.802 | S | S | * | * | 60.5 | 132.5 | 72.5 | -77.6 | -180 | 165.8 | -119.7 | 9.2 | 112 | |||||
| 623 | E | 37.8 | Very low | 37.6 | Very low | 136 Ų | 136 | 143.5 Ų | 143.5 | 64% | 0.636 | 80% | 0.799 | S | S | * | * | cis | -159.3 | 165 | 9.9 | -149.9 | 142.4 | 143.7 | 0 | 0 | 112.7 | ||||
| 624 | S | 36.8 | Very low | 37.5 | Very low | 81 Ų | 81 | 143.4 Ų | 143.4 | 57% | 0.566 | 80% | 0.799 | S | S | * | * | trans | 43.3 | 120.8 | 148 | 60.5 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 625 | H | 40.3 | Very low | 37.3 | Very low | 183 Ų | 183 | 144 Ų | 144 | 85% | 0.847 | 80% | 0.798 | S | S | * | * | 178.3 | 161.3 | 92.7 | -93 | -64.2 | 0 | 0 | 0 | 113.5 | |||||
| 626 | S | 33.5 | Very low | 36.9 | Very low | 91 Ų | 91 | 142.1 Ų | 142.1 | 64% | 0.636 | 79% | 0.789 | S | S | * | * | trans | -108.8 | 139.4 | -167.1 | 52.4 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 627 | H | 38.6 | Very low | 36.7 | Very low | 199 Ų | 199 | 142.5 Ų | 142.5 | 92% | 0.921 | 79% | 0.792 | S | S | * | * | trans | -145.7 | 122.8 | 152 | -87.8 | -71.2 | 0 | 0 | 0 | 112.6 | ||||
| 628 | T | 30.4 | Very low | 36.2 | Very low | 130 Ų | 130 | 141.6 Ų | 141.6 | 80% | 0.798 | 79% | 0.792 | S | S | * | * | trans | -88 | 152.5 | 165.6 | -32.2 | 0 | 0 | 0 | 0 | 109 | ||||
| 629 | V | 36.3 | Very low | 36.1 | Very low | 127 Ų | 127 | 141.3 Ų | 141.3 | 77% | 0.77 | 79% | 0.79 | S | S | * | * | trans | 175.1 | 124.1 | 136.1 | 144.8 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 630 | T | 36.3 | Very low | 35.5 | Very low | 125 Ų | 125 | 140.8 Ų | 140.8 | 77% | 0.767 | 79% | 0.785 | S | S | * | * | trans | 55.1 | 125.4 | 152.2 | 61.6 | 0 | 0 | 0 | 0 | 125.5 | ||||
| 631 | N | 30.8 | Very low | 35.6 | Very low | 158 Ų | 158 | 144.7 Ų | 144.7 | 85% | 0.845 | 79% | 0.788 | S | S | * | * | trans | -31.6 | 148 | 143.2 | -73.4 | -21.6 | 0 | 0 | 0 | 116.3 | ||||
| 632 | R | 35.4 | Very low | 35.3 | Very low | 253 Ų | 253 | 140.3 Ų | 140.3 | 96% | 0.955 | 78% | 0.781 | S | S | * | * | -150 | 144.9 | 122.4 | -115.4 | 175.2 | -176.8 | -166.4 | -0.3 | 111.9 | |||||
| 633 | S | 31.7 | Very low | 35.3 | Very low | 112 Ų | 112 | 138.7 Ų | 138.7 | 78% | 0.783 | 79% | 0.786 | S | S | * | * | trans | -101.8 | 140.6 | -178.1 | 51 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 634 | S | 37.4 | Very low | 35.6 | Very low | 125 Ų | 125 | 139 Ų | 139 | 87% | 0.874 | 79% | 0.791 | S | S | * | * | trans | -146.4 | 136.8 | 154.1 | 2.5 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 635 | T | 33.8 | Very low | 36 | Very low | 117 Ų | 117 | 140.2 Ų | 140.2 | 72% | 0.718 | 80% | 0.797 | S | S | * | * | trans | -76.1 | 155.1 | 171.9 | 49.2 | 0 | 0 | 0 | 0 | 110 | ||||
| 636 | D | 35.2 | Very low | 36.1 | Very low | 135 Ų | 135 | 138.6 Ų | 138.6 | 72% | 0.722 | 79% | 0.794 | S | S | * | * | 179.6 | 153.4 | 103.9 | -90.6 | -15.9 | 0 | 0 | 0 | 115 | |||||
| 637 | T | 35.1 | Very low | 36.6 | Very low | 140 Ų | 140 | 142.2 Ų | 142.2 | 86% | 0.859 | 81% | 0.805 | S | S | * | * | trans | 56.9 | 149.4 | 152.2 | 52.6 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 638 | A | 30.7 | Very low | 37.2 | Very low | 102 Ų | 102 | 139.2 Ų | 139.2 | 84% | 0.843 | 79% | 0.794 | S | S | * | * | trans | -101.2 | 149.8 | -173.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 639 | S | 35.9 | Very low | 37.7 | Very low | 102 Ų | 102 | 138.2 Ų | 138.2 | 71% | 0.713 | 79% | 0.792 | S | S | * | * | trans | -144.1 | 117.6 | 161.3 | 59.4 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 640 | I | 33.5 | Very low | 38.3 | Very low | 166 Ų | 166 | 139.4 Ų | 139.4 | 85% | 0.851 | 79% | 0.794 | S | S | * | * | trans | -72.8 | 125 | 167.3 | -65 | 160.9 | 0 | 0 | 0 | 107.1 | ||||
| 641 | F | 37.8 | Very low | 38.4 | Very low | 194 Ų | 194 | 144.6 Ų | 144.6 | 85% | 0.851 | 82% | 0.817 | S | S | * | * | trans | -139.7 | 137.6 | 163.8 | -89.9 | -74.1 | 0 | 0 | 0 | 112.1 | ||||
| 642 | G | 35.3 | Very low | 38.7 | Very low | 66 Ų | 66 | 144 Ų | 144 | 68% | 0.68 | 82% | 0.815 | S | S | * | * | trans | -80.4 | 176.7 | -173.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | I644 | G642-I644 PolarHBondContact O-N 3.25Š| ||
| 643 | I | 39.3 | Very low | 38.9 | Very low | 170 Ų | 170 | 138.2 Ų | 138.2 | 87% | 0.872 | 81% | 0.808 | S | S | * | * | trans | -83.4 | 108 | -179.1 | -62.2 | 166.8 | 0 | 0 | 0 | 108.7 | ||||
| 644 | I | 42.8 | Very low | 39.3 | Very low | 143 Ų | 143 | 139.7 Ų | 139.7 | 73% | 0.733 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -79.6 | 130 | 165.1 | -59.4 | 172.5 | 0 | 0 | 0 | 107.9 | G642 | G642-I644 PolarHBondContact O-N 3.25Š|
| 645 | P | 45.2 | Very low | 39.4 | Very low | 107 Ų | 107 | 140.5 Ų | 140.5 | 70% | 0.695 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -86.5 | 121.7 | 164.8 | 31.6 | -26.8 | 0 | 0 | 0 | 109.9 | I647 | P645-I647 PolarHBondContact O-N 3.32Š|
| 646 | D | 42.2 | Very low | 39.8 | Very low | 149 Ų | 149 | 142 Ų | 142 | 80% | 0.797 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -59 | 126 | 176.6 | -65.1 | -55.9 | 0 | 0 | 0 | 111.7 | ||
| 647 | I | 44.7 | Very low | 40.1 | Very low | 167 Ų | 167 | 142.5 Ų | 142.5 | 86% | 0.856 | 82% | 0.817 | S | S | * | * | trans | -88.3 | 112 | 165 | -65.1 | 173.7 | 0 | 0 | 0 | 106.9 | P645 | P645-I647 PolarHBondContact O-N 3.32Š| ||
| 648 | I | 51.1 | Low | 40.4 | Very low | 136 Ų | 136 | 142.6 Ų | 142.6 | 70% | 0.697 | 81% | 0.814 | S | S | * | * | trans | -92 | 113.1 | 168.9 | -61.7 | 175.3 | 0 | 0 | 0 | 107.1 | L650 | I648-L650 HydrophobicContact CG2-CD2 4.33Å; I648-L650 HydrophobicContact CG2-CG 4.28Å | ||
| 649 | S | 40.4 | Very low | 41.2 | Very low | 108 Ų | 108 | 145.8 Ų | 145.8 | 76% | 0.755 | 81% | 0.812 | S | S | * | * | trans | -71.6 | 137.7 | 163.5 | -157 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 650 | L | 48.7 | Very low | 41.6 | Very low | 153 Ų | 153 | 149.4 Ų | 149.4 | 80% | 0.801 | 82% | 0.82 | S | S | * | * | trans | -125.3 | 114.8 | 171.3 | -74.2 | 173.1 | 0 | 0 | 0 | 108 | I648 | I648-L650 HydrophobicContact CG2-CD2 4.33Å; I648-L650 HydrophobicContact CG2-CG 4.28Å | ||
| 651 | D | 38.5 | Very low | 42.4 | Very low | 234 Ų | 234 | 147.9 Ų | 147.9 | 100% | 1.251 | 82% | 0.817 | S | S | * | * | trans | -65.2 | 0 | 152 | -67.7 | -49.8 | 0 | 0 | 0 | 110.7 |
Retrieved 651 of 651 residues in 889.2 ms
(Link to these results)