| 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 | 69.9 | Low | 89.2 | Confident | 136 Ų | 136 | 80.1 Ų | 80.1 | 67% | 0.67 | 38% | 0.377 | S | S | * | . | 0 | 139.5 | 0 | -165.4 | -174.6 | -77.1 | 0 | 0 | 110 | A5 L10 I46 | M1-A5 HydrophobicContact CG-CB 3.51Å; M1-A5 HydrophobicContact SD-CB 3.73Å; M1-L10 HydrophobicContact CE-CB 3.57Å; M1-L10 HydrophobicContact CE-CD1 3.25Å; M1-L10 HydrophobicContact CE-CD2 4.08Å; M1-L10 HydrophobicContact CE-CG 3.76Å; M1-L10 HydrophobicContact SD-CB 4.41Å; M1-I46 HydrophobicContact CE-CD1 4.15Å; M1-I46 HydrophobicContact SD-CD1 3.32Å; M1-I46 WeakPolarHBondContact SD-CD1 3.13Å | |||
| 2 | Q | 82.1 | Confident | 89.4 | Confident | 163 Ų | 163 | 78.6 Ų | 78.6 | 76% | 0.762 | 37% | 0.373 | S | S | * | . | trans | -65.5 | 146.3 | -176.6 | -62.2 | -178.3 | 3.7 | 0 | 0 | 112.1 | K4 A5 | Q2-K4 PolarHBondContact O-N 2.98Å; Q2-A5 VanDerWaalsContact O-CB 3.25Å; Q2-A5 WeakPolarHBondContact O-CB 3.38Å; Q2-A5 PolarHBondContact O-N 2.93Å | ||
| 3 | K | 82.6 | Confident | 89.6 | Confident | 209 Ų | 209 | 80.5 Ų | 80.5 | 91% | 0.909 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.4 | -23.3 | -179.9 | -73.3 | -179.5 | 177.4 | 174.7 | 0 | 114.2 | ||
| 4 | K | 89.9 | Confident | 89.7 | Confident | 144 Ų | 144 | 77.6 Ų | 77.6 | 63% | 0.626 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106 | 10.2 | -178.5 | -62.7 | -177.6 | -178 | 172.2 | 0 | 113.4 | Q2 M6 | Q2-K4 PolarHBondContact O-N 2.98Å; K4-M6 PolarHBondContact O-N 3.11Å |
| 5 | A | 92.2 | Very high | 89.6 | Confident | 7 Ų | 7 | 73.9 Ų | 73.9 | 6% | 0.058 | 35% | 0.351 | C | S | . | . | trans | -56.1 | 136.1 | -176.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | M1 Q2 D9 R45 I46 | M1-A5 HydrophobicContact CG-CB 3.51Å; M1-A5 HydrophobicContact SD-CB 3.73Å; Q2-A5 VanDerWaalsContact O-CB 3.25Å; Q2-A5 WeakPolarHBondContact O-CB 3.38Å; Q2-A5 PolarHBondContact O-N 2.93Å; A5-D9 WeakPolarHBondContact CA-OD2 3.48Å; A5-R45 WeakPolarHBondContact O-CA 3.37Å; A5-I46 HydrophobicContact CB-CD1 4.29Å; A5-I46 PolarHBondContact O-N 3.1Å; A5-I46 VanDerWaalsContact O-N 3.08Å | ||
| 6 | M | 94.6 | Very high | 89.5 | Confident | 62 Ų | 62 | 81.2 Ų | 81.2 | 31% | 0.305 | 38% | 0.376 | S | S | . | . | B | Isolated β-bridge | trans | -81.6 | 158.2 | 174.2 | -61.6 | -66.8 | -75.5 | 0 | 0 | 109.5 | K4 Q8 D9 T43 R45 I46 | K4-M6 PolarHBondContact O-N 3.11Å; M6-Q8 PolarHBondContact O-N 2.77Å; M6-D9 PolarHBondContact N-OD2 2.89Å; M6-D9 PolarHBondContact O-N 3.46Å; M6-T43 WeakPolarHBondContact CE-O 3.44Å; M6-R45 HydrophobicContact SD-CB 4.46Å; M6-R45 HydrophobicContact SD-CG 3.59Å; M6-R45 VanDerWaalsContact SD-CG 3.59Å; M6-I46 WeakPolarHBondContact O-CD1 3.45Å |
| 7 | G | 94.2 | Very high | 89.3 | Confident | 0 Ų | 0 | 83.9 Ų | 83.9 | 0% | 0 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -58.5 | -35.6 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | D9 L10 C11 P42 K44 | G7-D9 PolarHBondContact O-N 3.47Å; G7-L10 PolarHBondContact O-N 2.77Å; G7-C11 PolarHBondContact O-N 2.75Å; G7-C11 PolarHBondContact O-SG 2.76Å; G7-C11 VanDerWaalsContact O-SG 3.37Å; G7-P42 PolarHBondContact N-O 3.35Å; G7-K44 PolarHBondContact N-O 3.04Å |
| 8 | Q | 93.8 | Very high | 89 | Confident | 70 Ų | 70 | 83.1 Ų | 83.1 | 33% | 0.327 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -56.3 | -46.4 | 175.8 | -169.7 | 65.3 | 48.9 | 0 | 0 | 112.2 | M6 L10 C11 D12 P42 | M6-Q8 PolarHBondContact O-N 2.77Å; Q8-L10 PolarHBondContact O-N 3.41Å; Q8-C11 PolarHBondContact O-N 3.12Å; Q8-C11 VanDerWaalsContact O-N 3.11Å; Q8-D12 WeakPolarHBondContact CG-OD2 3.48Å; Q8-D12 PolarHBondContact NE2-OD1 2.74Å; Q8-D12 PolarHBondContact NE2-OD2 2.9Å; Q8-D12 WeakPolarHBondContact O-CB 3.31Å; Q8-D12 PolarHBondContact O-N 2.85Å; Q8-P42 HydrophobicContact CB-CB 4.12Å; Q8-P42 WeakPolarHBondContact CB-O 3.43Å; Q8-P42 PolarHBondContact N-O 3.25Å; Q8-P42 VanDerWaalsContact OE1-CB 3.22Å |
| 9 | D | 94.2 | Very high | 88.6 | Confident | 68 Ų | 68 | 83.9 Ų | 83.9 | 36% | 0.364 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -58.5 | -38.4 | -178.8 | -50.2 | -29.1 | 0 | 0 | 0 | 111.7 | A5 M6 G7 Q13 | A5-D9 WeakPolarHBondContact CA-OD2 3.48Å; M6-D9 PolarHBondContact N-OD2 2.89Å; M6-D9 PolarHBondContact O-N 3.46Å; G7-D9 PolarHBondContact O-N 3.47Å; D9-Q13 VanDerWaalsContact O-CG 3.27Å; D9-Q13 WeakPolarHBondContact O-CG 3.35Å; D9-Q13 PolarHBondContact O-N 2.85Å |
| 10 | L | 94.2 | Very high | 88.2 | Confident | 16 Ų | 16 | 81.4 Ų | 81.4 | 8% | 0.084 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -72.6 | -43.5 | 176.8 | 174.1 | 59.4 | 0 | 0 | 0 | 111.8 | M1 G7 Q8 Q13 I14 L28 L40 I46 F58 | M1-L10 HydrophobicContact CE-CB 3.57Å; M1-L10 HydrophobicContact CE-CD1 3.25Å; M1-L10 HydrophobicContact CE-CD2 4.08Å; M1-L10 HydrophobicContact CE-CG 3.76Å; M1-L10 HydrophobicContact SD-CB 4.41Å; G7-L10 PolarHBondContact O-N 2.77Å; Q8-L10 PolarHBondContact O-N 3.41Å; L10-Q13 PolarHBondContact O-N 3.29Å; L10-I14 HydrophobicContact CD1-CD1 3.82Å; L10-I14 HydrophobicContact CD1-CG1 4.16Å; L10-I14 HydrophobicContact CG-CD1 4.23Å; L10-I14 PolarHBondContact O-N 3.07Å; L10-I14 VanDerWaalsContact O-N 3.07Å; L10-L28 HydrophobicContact CD2-CD1 3.71Å; L10-L28 HydrophobicContact CG-CD1 3.63Å; L10-L40 HydrophobicContact CD2-CD2 4.08Å; L10-I46 HydrophobicContact CB-CD1 3.81Å; L10-I46 HydrophobicContact CD2-CD1 4.08Å; L10-F58 HydrophobicContact CD2-CD1 4.4Å; L10-F58 HydrophobicContact CD2-CD2 3.73Å; L10-F58 HydrophobicContact CD2-CE1 4.35Å; L10-F58 HydrophobicContact CD2-CE2 3.67Å; L10-F58 HydrophobicContact CD2-CG 4.1Å; L10-F58 HydrophobicContact CD2-CZ 4Å |
| 11 | C | 93.1 | Very high | 87.6 | Confident | 6 Ų | 6 | 79.9 Ų | 79.9 | 4% | 0.041 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -59 | -48.8 | 176.4 | -68.9 | 0 | 0 | 0 | 0 | 110.8 | G7 Q8 Q13 I14 F15 | G7-C11 PolarHBondContact O-N 2.75Å; G7-C11 PolarHBondContact O-SG 2.76Å; G7-C11 VanDerWaalsContact O-SG 3.37Å; Q8-C11 PolarHBondContact O-N 3.12Å; Q8-C11 VanDerWaalsContact O-N 3.11Å; C11-Q13 VanDerWaalsContact C-N 3.34Å; C11-Q13 PolarHBondContact O-N 2.86Å; C11-I14 PolarHBondContact O-N 3.41Å; C11-I14 VanDerWaalsContact O-N 3.17Å; C11-F15 HydrophobicContact CB-CD2 4.25Å; C11-F15 HydrophobicContact CB-CE2 3.73Å; C11-F15 HydrophobicContact CB-CZ 3.97Å; C11-F15 WeakPolarHBondContact O-CB 3.32Å; C11-F15 WeakPolarHBondContact O-CD1 3.39Å; C11-F15 VanDerWaalsContact O-CD2 3.27Å; C11-F15 WeakPolarHBondContact O-CD2 3.4Å; C11-F15 WeakPolarHBondContact O-CG 3.26Å; C11-F15 PolarHBondContact O-N 2.86Å |
| 12 | D | 92.3 | Very high | 88.2 | Confident | 62 Ų | 62 | 73.5 Ų | 73.5 | 33% | 0.332 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -61 | -41.7 | -179.1 | -69.7 | -20 | 0 | 0 | 0 | 111.8 | Q8 F15 Y16 | Q8-D12 WeakPolarHBondContact CG-OD2 3.48Å; Q8-D12 PolarHBondContact NE2-OD1 2.74Å; Q8-D12 PolarHBondContact NE2-OD2 2.9Å; Q8-D12 WeakPolarHBondContact O-CB 3.31Å; Q8-D12 PolarHBondContact O-N 2.85Å; D12-F15 PolarHBondContact O-N 2.88Å; D12-Y16 WeakPolarHBondContact O-CB 3.29Å; D12-Y16 PolarHBondContact O-N 2.8Å |
| 13 | Q | 91.9 | Very high | 88.5 | Confident | 104 Ų | 104 | 70.3 Ų | 70.3 | 49% | 0.486 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -62 | -43.9 | 175 | -76.8 | 177 | 9.1 | 0 | 0 | 112.5 | D9 L10 C11 N17 | D9-Q13 VanDerWaalsContact O-CG 3.27Å; D9-Q13 WeakPolarHBondContact O-CG 3.35Å; D9-Q13 PolarHBondContact O-N 2.85Å; L10-Q13 PolarHBondContact O-N 3.29Å; C11-Q13 VanDerWaalsContact C-N 3.34Å; C11-Q13 PolarHBondContact O-N 2.86Å; Q13-N17 WeakPolarHBondContact O-CB 3.47Å; Q13-N17 PolarHBondContact O-N 2.88Å; Q13-N17 PolarHBondContact O-ND2 2.97Å |
| 14 | I | 90.7 | Very high | 88.9 | Confident | 40 Ų | 40 | 61.6 Ų | 61.6 | 21% | 0.205 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -67.1 | -46.8 | 178.9 | -73.2 | 177.6 | 0 | 0 | 0 | 110.6 | L10 C11 Y16 N17 L18 L28 F60 | L10-I14 HydrophobicContact CD1-CD1 3.82Å; L10-I14 HydrophobicContact CD1-CG1 4.16Å; L10-I14 HydrophobicContact CG-CD1 4.23Å; L10-I14 PolarHBondContact O-N 3.07Å; L10-I14 VanDerWaalsContact O-N 3.07Å; C11-I14 PolarHBondContact O-N 3.41Å; C11-I14 VanDerWaalsContact O-N 3.17Å; I14-Y16 VanDerWaalsContact C-N 3.29Å; I14-Y16 PolarHBondContact O-N 2.58Å; I14-N17 PolarHBondContact O-N 2.8Å; I14-L18 HydrophobicContact CG2-CD1 3.65Å; I14-L18 HydrophobicContact CG2-CG 4.31Å; I14-L18 WeakPolarHBondContact O-CB 3.38Å; I14-L18 WeakPolarHBondContact O-CG 3.38Å; I14-L18 PolarHBondContact O-N 2.95Å; I14-L28 HydrophobicContact CD1-CD1 3.79Å; I14-L28 HydrophobicContact CD1-CD2 3.61Å; I14-L28 HydrophobicContact CD1-CG 4.36Å; I14-F60 HydrophobicContact CG2-CD2 3.92Å; I14-F60 HydrophobicContact CG2-CE2 4.35Å |
| 15 | F | 88.4 | Confident | 88.9 | Confident | 21 Ų | 21 | 55.2 Ų | 55.2 | 9% | 0.092 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -64 | -37.2 | -178.7 | -58.5 | -22.1 | 0 | 0 | 0 | 111.8 | C11 D12 D19 L20 R23 F26 F60 | C11-F15 HydrophobicContact CB-CD2 4.25Å; C11-F15 HydrophobicContact CB-CE2 3.73Å; C11-F15 HydrophobicContact CB-CZ 3.97Å; C11-F15 WeakPolarHBondContact O-CB 3.32Å; C11-F15 WeakPolarHBondContact O-CD1 3.39Å; C11-F15 VanDerWaalsContact O-CD2 3.27Å; C11-F15 WeakPolarHBondContact O-CD2 3.4Å; C11-F15 WeakPolarHBondContact O-CG 3.26Å; C11-F15 PolarHBondContact O-N 2.86Å; D12-F15 PolarHBondContact O-N 2.88Å; F15-D19 PolarHBondContact O-N 2.85Å; F15-D19 VanDerWaalsContact O-N 3.12Å; F15-L20 HydrophobicContact CD1-CD1 3.89Å; F15-L20 PolarHBondContact O-N 2.96Å; F15-R23 HydrophobicContact CB-CB 4.36Å; F15-R23 HydrophobicContact CD1-CB 4.41Å; F15-R23 HydrophobicContact CD2-CB 3.81Å; F15-R23 HydrophobicContact CD2-CG 4.21Å; F15-R23 HydrophobicContact CE2-CB 4.08Å; F15-R23 HydrophobicContact CE2-CG 4.42Å; F15-R23 HydrophobicContact CG-CB 3.95Å; F15-F26 HydrophobicContact CE1-CB 4.42Å; F15-F60 HydrophobicContact CD1-CE2 4.08Å; F15-F60 HydrophobicContact CE1-CD2 4.38Å; F15-F60 AromaticContact CE1-CE2 3.8Å; F15-F60 HydrophobicContact CE1-CE2 3.8Å |
| 16 | Y | 87.3 | Confident | 89 | Confident | 191 Ų | 191 | 57 Ų | 57 | 75% | 0.749 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -63.9 | -47.8 | 172.6 | 180 | -97 | 0 | 0 | 0 | 112.1 | D12 I14 L18 D19 | D12-Y16 WeakPolarHBondContact O-CB 3.29Å; D12-Y16 PolarHBondContact O-N 2.8Å; I14-Y16 VanDerWaalsContact C-N 3.29Å; I14-Y16 PolarHBondContact O-N 2.58Å; Y16-L18 PolarHBondContact O-N 3.39Å; Y16-D19 PolarHBondContact O-N 2.87Å |
| 17 | N | 85.9 | Confident | 89 | Confident | 128 Ų | 128 | 54.4 Ų | 54.4 | 68% | 0.684 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -67.9 | -24.3 | -178.9 | -70.8 | -15 | 0 | 0 | 0 | 113.6 | Q13 I14 | Q13-N17 WeakPolarHBondContact O-CB 3.47Å; Q13-N17 PolarHBondContact O-N 2.88Å; Q13-N17 PolarHBondContact O-ND2 2.97Å; I14-N17 PolarHBondContact O-N 2.8Å |
| 18 | L | 84.3 | Confident | 89 | Confident | 69 Ų | 69 | 54.6 Ų | 54.6 | 36% | 0.361 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.9 | -4.1 | 177.4 | -67.1 | 177.9 | 0 | 0 | 0 | 113.1 | I14 Y16 L20 F60 | I14-L18 HydrophobicContact CG2-CD1 3.65Å; I14-L18 HydrophobicContact CG2-CG 4.31Å; I14-L18 WeakPolarHBondContact O-CB 3.38Å; I14-L18 WeakPolarHBondContact O-CG 3.38Å; I14-L18 PolarHBondContact O-N 2.95Å; Y16-L18 PolarHBondContact O-N 3.39Å; L18-L20 VanDerWaalsContact C-N 3.28Å; L18-L20 HydrophobicContact CB-CD1 3.94Å; L18-L20 HydrophobicContact CB-CD2 4.37Å; L18-L20 HydrophobicContact CB-CG 3.72Å; L18-L20 HydrophobicContact CD1-CD1 3.99Å; L18-L20 PolarHBondContact O-N 3.16Å; L18-F60 HydrophobicContact CD1-CD1 4.3Å; L18-F60 HydrophobicContact CD1-CD2 4.23Å; L18-F60 HydrophobicContact CD1-CE1 4.14Å; L18-F60 HydrophobicContact CD1-CE2 4.05Å; L18-F60 HydrophobicContact CD1-CG 4.34Å; L18-F60 HydrophobicContact CD1-CZ 4.02Å |
| 19 | D | 82.2 | Confident | 89.1 | Confident | 99 Ų | 99 | 52.1 Ų | 52.1 | 53% | 0.529 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.4 | 44.6 | -177.2 | -160.2 | 32.5 | 0 | 0 | 0 | 113.1 | F15 Y16 A276 | F15-D19 PolarHBondContact O-N 2.85Å; F15-D19 VanDerWaalsContact O-N 3.12Å; Y16-D19 PolarHBondContact O-N 2.87Å; D19-A276 HydrophobicContact CB-CB 4.26Å |
| 20 | L | 79.3 | Confident | 89.1 | Confident | 32 Ų | 32 | 49.4 Ų | 49.4 | 17% | 0.168 | 24% | 0.236 | C | C | . | . | trans | -83.2 | 126 | -176.5 | -65.4 | 169.8 | 0 | 0 | 0 | 111.8 | F15 L18 R23 F26 F60 E74 | F15-L20 HydrophobicContact CD1-CD1 3.89Å; F15-L20 PolarHBondContact O-N 2.96Å; L18-L20 VanDerWaalsContact C-N 3.28Å; L18-L20 HydrophobicContact CB-CD1 3.94Å; L18-L20 HydrophobicContact CB-CD2 4.37Å; L18-L20 HydrophobicContact CB-CG 3.72Å; L18-L20 HydrophobicContact CD1-CD1 3.99Å; L18-L20 PolarHBondContact O-N 3.16Å; L20-R23 HydrophobicContact CB-CB 4.31Å; L20-F26 HydrophobicContact CD1-CD2 4.41Å; L20-F26 HydrophobicContact CD2-CE2 4.35Å; L20-F60 HydrophobicContact CD1-CE1 4.44Å; L20-F60 HydrophobicContact CD1-CE2 3.64Å; L20-F60 HydrophobicContact CD1-CZ 3.36Å; L20-E74 WeakPolarHBondContact CA-OE1 3.09Å | ||
| 21 | E | 76.9 | Confident | 89 | Confident | 50 Ų | 50 | 52.3 Ų | 52.3 | 23% | 0.234 | 25% | 0.25 | C | C | . | . | S | Bend | trans | -83.3 | -47.6 | 171.9 | -60.9 | -164.9 | 144.3 | 0 | 0 | 110.3 | R23 E74 R274 | E21-R23 PolarHBondContact O-N 3.16Å; E21-R23 VanDerWaalsContact O-N 3.11Å; E21-E74 HydrophobicContact CB-CG 4.26Å; E21-E74 PolarHBondContact N-OE1 2.81Å; E21-R274 WeakPolarHBondContact OE1-CA 3.49Å; E21-R274 WeakPolarHBondContact OE1-CB 3.45Å; E21-R274 PolarHBondContact OE1-N 3.46Å |
| 22 | E | 81.5 | Confident | 88.8 | Confident | 3 Ų | 3 | 52.6 Ų | 52.6 | 1% | 0.014 | 25% | 0.251 | C | S | . | . | S | Bend | trans | -91.9 | 38.6 | -172 | -67.8 | -174.6 | 120.1 | 0 | 0 | 111.6 | D24 Y25 F26 L72 H73 E74 V265 T269 | E22-D24 PolarHBondContact O-N 3.3Å; E22-Y25 HydrophobicContact CB-CD2 3.92Å; E22-Y25 HydrophobicContact CB-CE2 4.28Å; E22-Y25 WeakPolarHBondContact O-CD2 3.36Å; E22-Y25 PolarHBondContact O-N 2.79Å; E22-Y25 VanDerWaalsContact O-N 3.12Å; E22-F26 WeakPolarHBondContact O-CD2 3.3Å; E22-L72 WeakPolarHBondContact OE1-CA 3.31Å; E22-L72 WeakPolarHBondContact OE1-CD2 3.49Å; E22-L72 WeakPolarHBondContact OE2-CA 3.48Å; E22-L72 VanDerWaalsContact OE2-CB 3.3Å; E22-L72 WeakPolarHBondContact OE2-CB 3.4Å; E22-H73 PolarHBondContact OE1-N 3.31Å; E22-H73 PolarHBondContact OE2-N 3.42Å; E22-E74 HydrophobicContact CB-CG 4.35Å; E22-E74 HydrophobicContact CG-CG 4.26Å; E22-E74 PolarHBondContact N-OE1 3.14Å; E22-E74 PolarHBondContact OE2-N 3.46Å; E22-V265 HydrophobicContact CG-CG1 4.29Å; E22-T269 HydrophobicContact CG-CG2 3.69Å |
| 23 | R | 88.3 | Confident | 88.7 | Confident | 96 Ų | 96 | 55.8 Ų | 55.8 | 36% | 0.362 | 26% | 0.263 | S | S | . | . | G | 310 helix | trans | -55.8 | -27.1 | -172.3 | 71 | -173.9 | -172 | 174.4 | 1.3 | 115 | F15 L20 E21 Y25 F26 | F15-R23 HydrophobicContact CB-CB 4.36Å; F15-R23 HydrophobicContact CD1-CB 4.41Å; F15-R23 HydrophobicContact CD2-CB 3.81Å; F15-R23 HydrophobicContact CD2-CG 4.21Å; F15-R23 HydrophobicContact CE2-CB 4.08Å; F15-R23 HydrophobicContact CE2-CG 4.42Å; F15-R23 HydrophobicContact CG-CB 3.95Å; L20-R23 HydrophobicContact CB-CB 4.31Å; E21-R23 PolarHBondContact O-N 3.16Å; E21-R23 VanDerWaalsContact O-N 3.11Å; R23-Y25 PolarHBondContact O-N 3.14Å; R23-F26 PolarHBondContact O-N 2.88Å |
| 24 | D | 90.6 | Very high | 88.5 | Confident | 26 Ų | 26 | 59 Ų | 59 | 14% | 0.139 | 28% | 0.276 | C | S | . | . | G | 310 helix | trans | -68.2 | -19.8 | -177.7 | -72.7 | -83.8 | 0 | 0 | 0 | 112.9 | E22 F26 F64 F232 K260 V265 | E22-D24 PolarHBondContact O-N 3.3Å; D24-F26 VanDerWaalsContact C-N 3.27Å; D24-F64 VanDerWaalsContact O-CD2 3.29Å; D24-F64 WeakPolarHBondContact O-CD2 3.4Å; D24-F232 HydrophobicContact CB-CE2 4.17Å; D24-K260 PolarHBondContact OD1-N 2.92Å; D24-V265 HydrophobicContact CB-CG2 3.69Å |
| 25 | Y | 91.6 | Very high | 88.3 | Confident | 9 Ų | 9 | 64.9 Ų | 64.9 | 4% | 0.035 | 30% | 0.303 | C | S | . | . | G | 310 helix | trans | -76.3 | -14 | 171.3 | -69.3 | -84.7 | 0 | 0 | 0 | 113.3 | E22 R23 K63 F64 L72 F232 V265 | E22-Y25 HydrophobicContact CB-CD2 3.92Å; E22-Y25 HydrophobicContact CB-CE2 4.28Å; E22-Y25 WeakPolarHBondContact O-CD2 3.36Å; E22-Y25 PolarHBondContact O-N 2.79Å; E22-Y25 VanDerWaalsContact O-N 3.12Å; R23-Y25 PolarHBondContact O-N 3.14Å; Y25-K63 WeakPolarHBondContact O-CA 3.39Å; Y25-K63 PolarHBondContact O-N 3.4Å; Y25-F64 HydrophobicContact CD1-CB 4.07Å; Y25-F64 VanDerWaalsContact CD1-O 3.31Å; Y25-F64 WeakPolarHBondContact CD1-O 3.3Å; Y25-F64 PolarHBondContact O-N 2.96Å; Y25-F64 VanDerWaalsContact O-N 3.08Å; Y25-L72 HydrophobicContact CD2-CD2 3.9Å; Y25-L72 HydrophobicContact CE1-CD2 4.12Å; Y25-L72 HydrophobicContact CE2-CD2 3.36Å; Y25-L72 HydrophobicContact CG-CD2 4.44Å; Y25-L72 VanDerWaalsContact CZ-CD2 3.48Å; Y25-F232 AromaticContact CD1-CE1 3.76Å; Y25-F232 HydrophobicContact CD1-CE1 3.76Å; Y25-F232 AromaticContact CD1-CZ 3.57Å; Y25-F232 HydrophobicContact CD1-CZ 3.57Å; Y25-F232 HydrophobicContact CD2-CZ 4.39Å; Y25-F232 AromaticContact CE1-CE1 3.57Å; Y25-F232 HydrophobicContact CE1-CE1 3.57Å; Y25-F232 AromaticContact CE1-CZ 3.47Å; Y25-F232 HydrophobicContact CE1-CZ 3.47Å; Y25-F232 VanDerWaalsContact CE1-CZ 3.47Å; Y25-F232 HydrophobicContact CE2-CZ 4.34Å; Y25-F232 HydrophobicContact CG-CZ 4.07Å; Y25-F232 AromaticContact CZ-CZ 3.91Å; Y25-V265 HydrophobicContact CD2-CG1 4.33Å; Y25-V265 HydrophobicContact CE2-CB 4.43Å; Y25-V265 HydrophobicContact CE2-CG1 3.71Å |
| 26 | F | 93.5 | Very high | 88.1 | Confident | 44 Ų | 44 | 66.7 Ų | 66.7 | 19% | 0.193 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 161.4 | -173.1 | -58.6 | -87.7 | 0 | 0 | 0 | 112.5 | F15 L20 E22 R23 D24 F60 R61 V62 | F15-F26 HydrophobicContact CE1-CB 4.42Å; L20-F26 HydrophobicContact CD1-CD2 4.41Å; L20-F26 HydrophobicContact CD2-CE2 4.35Å; E22-F26 WeakPolarHBondContact O-CD2 3.3Å; R23-F26 PolarHBondContact O-N 2.88Å; D24-F26 VanDerWaalsContact C-N 3.27Å; F26-F60 HydrophobicContact CB-CD2 4.49Å; F26-F60 HydrophobicContact CB-CE2 3.55Å; F26-F60 HydrophobicContact CB-CZ 3.56Å; F26-F60 AromaticContact CD1-CE1 3.54Å; F26-F60 HydrophobicContact CD1-CE1 3.54Å; F26-F60 HydrophobicContact CD1-CE2 4.11Å; F26-F60 AromaticContact CD1-CZ 3.24Å; F26-F60 HydrophobicContact CD1-CZ 3.24Å; F26-F60 HydrophobicContact CD2-CZ 4.17Å; F26-F60 AromaticContact CE1-CE1 3.95Å; F26-F60 HydrophobicContact CE1-CE1 3.95Å; F26-F60 AromaticContact CE1-CZ 3.91Å; F26-F60 HydrophobicContact CE1-CZ 3.91Å; F26-F60 HydrophobicContact CG-CE1 4.18Å; F26-F60 AromaticContact CG-CE2 3.95Å; F26-F60 HydrophobicContact CG-CE2 3.95Å; F26-F60 AromaticContact CG-CZ 3.39Å; F26-F60 HydrophobicContact CG-CZ 3.39Å; F26-R61 WeakPolarHBondContact CA-O 3.12Å; F26-V62 HydrophobicContact CD1-CG2 4.12Å; F26-V62 HydrophobicContact CE1-CG2 3.84Å |
| 27 | G | 93.7 | Very high | 88.2 | Confident | 8 Ų | 8 | 61.8 Ų | 61.8 | 8% | 0.082 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.6 | 174.9 | 175 | 0 | 0 | 0 | 0 | 0 | 112.7 | R61 | G27-R61 PolarHBondContact N-O 2.81Å; G27-R61 PolarHBondContact O-N 2.85Å |
| 28 | L | 95.9 | Very high | 88.5 | Confident | 4 Ų | 4 | 56.2 Ų | 56.2 | 2% | 0.021 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 126.3 | 175.8 | -57.9 | 177.3 | 0 | 0 | 0 | 109.6 | L10 I14 L40 F58 F60 | L10-L28 HydrophobicContact CD2-CD1 3.71Å; L10-L28 HydrophobicContact CG-CD1 3.63Å; I14-L28 HydrophobicContact CD1-CD1 3.79Å; I14-L28 HydrophobicContact CD1-CD2 3.61Å; I14-L28 HydrophobicContact CD1-CG 4.36Å; L28-L40 HydrophobicContact CB-CB 4.12Å; L28-L40 HydrophobicContact CB-CD2 4.24Å; L28-L40 HydrophobicContact CD1-CD2 3.93Å; L28-L40 WeakPolarHBondContact O-CB 3.5Å; L28-L40 PolarHBondContact O-N 2.99Å; L28-F58 HydrophobicContact CB-CD1 4.4Å; L28-F60 HydrophobicContact CD2-CB 4.05Å; L28-F60 HydrophobicContact CD2-CD2 4.08Å |
| 29 | Q | 94.9 | Very high | 88.9 | Confident | 19 Ų | 19 | 54.4 Ų | 54.4 | 9% | 0.089 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 148.7 | 171.3 | -68.7 | -173.1 | -25.1 | 0 | 0 | 111.5 | H38 W39 F58 R59 R61 | Q29-H38 CarbonylContact C-O 3.57Å; Q29-H38 VanDerWaalsContact CA-O 3.27Å; Q29-H38 WeakPolarHBondContact CA-O 3.49Å; Q29-W39 HydrophobicContact CG-CD2 3.84Å; Q29-W39 HydrophobicContact CG-CE3 3.48Å; Q29-W39 VanDerWaalsContact CG-CE3 3.48Å; Q29-W39 HydrophobicContact CG-CH2 3.75Å; Q29-W39 HydrophobicContact CG-CZ2 4.08Å; Q29-W39 HydrophobicContact CG-CZ3 3.44Å; Q29-W39 VanDerWaalsContact CG-CZ3 3.44Å; Q29-F58 CarbonylContact O-C 3.51Å; Q29-F58 VanDerWaalsContact O-CA 3.28Å; Q29-F58 WeakPolarHBondContact O-CA 3.49Å; Q29-R59 PolarHBondContact N-O 3.17Å; Q29-R59 PolarHBondContact O-N 3.27Å; Q29-R61 VanDerWaalsContact OE1-NE 3.08Å |
| 30 | F | 94.5 | Very high | 89.5 | Confident | 11 Ų | 11 | 50.1 Ų | 50.1 | 5% | 0.048 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 159.7 | 167.3 | 66.2 | -84.8 | 0 | 0 | 0 | 109.8 | H38 Q49 V50 F58 | F30-H38 HydrophobicContact CD1-CB 4.29Å; F30-H38 WeakPolarHBondContact CD1-O 3.42Å; F30-H38 HydrophobicContact CD2-CB 4.48Å; F30-H38 HydrophobicContact CE1-CB 3.74Å; F30-H38 HydrophobicContact CE2-CB 3.98Å; F30-H38 HydrophobicContact CZ-CB 3.57Å; F30-H38 PolarHBondContact N-O 2.96Å; F30-H38 PolarHBondContact O-N 2.83Å; F30-Q49 HydrophobicContact CE1-CB 4.45Å; F30-Q49 WeakPolarHBondContact CE2-O 3.24Å; F30-Q49 HydrophobicContact CZ-CB 4.17Å; F30-Q49 WeakPolarHBondContact CZ-O 3.47Å; F30-V50 HydrophobicContact CB-CG1 4.47Å; F30-V50 HydrophobicContact CB-CG2 4.28Å; F30-V50 HydrophobicContact CD1-CG2 3.94Å; F30-V50 HydrophobicContact CD2-CB 4.27Å; F30-V50 HydrophobicContact CD2-CG1 4.01Å; F30-V50 HydrophobicContact CD2-CG2 3.8Å; F30-V50 HydrophobicContact CE1-CG2 4.19Å; F30-V50 HydrophobicContact CE2-CB 4.49Å; F30-V50 HydrophobicContact CE2-CG2 4.05Å; F30-V50 HydrophobicContact CG-CG1 4.39Å; F30-V50 HydrophobicContact CG-CG2 3.74Å; F30-V50 HydrophobicContact CZ-CG2 4.23Å; F30-F58 HydrophobicContact CB-CD1 4.03Å; F30-F58 HydrophobicContact CB-CE1 4.1Å; F30-F58 HydrophobicContact CD1-CE1 4.36Å |
| 31 | M | 92 | Very high | 90.2 | Very high | 77 Ų | 77 | 49 Ų | 49 | 38% | 0.379 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 145.2 | 174.5 | -61.8 | -176.4 | -58.8 | 0 | 0 | 109.7 | V36 Q37 | M31-V36 WeakPolarHBondContact CA-O 3.46Å; M31-Q37 HydrophobicContact CG-CG 4.44Å |
| 32 | D | 89.2 | Confident | 91 | Very high | 11 Ų | 11 | 48.1 Ų | 48.1 | 6% | 0.059 | 23% | 0.227 | C | C | . | . | trans | -93 | -176.4 | 168.1 | 71.4 | 15 | 0 | 0 | 0 | 112.3 | F34 Q35 V36 H38 I52 K217 | D32-F34 PolarHBondContact O-N 2.97Å; D32-F34 VanDerWaalsContact O-N 3.09Å; D32-F34 WeakPolarHBondContact OD1-CA 3.45Å; D32-F34 PolarHBondContact OD1-N 2.84Å; D32-Q35 PolarHBondContact O-N 2.82Å; D32-Q35 PolarHBondContact OD1-N 2.81Å; D32-V36 PolarHBondContact N-O 3.1Å; D32-V36 PolarHBondContact OD1-N 2.84Å; D32-V36 VanDerWaalsContact OD1-N 3.11Å; D32-H38 IonicContact OD2-CD2 3.7Å; D32-H38 IonicContact OD2-CE1 3.76Å; D32-H38 IonicContact OD2-NE2 3.97Å; D32-H38 PolarHBondContact OD2-NE2 2.9Å; D32-I52 VanDerWaalsContact C-CD1 3.48Å; D32-I52 WeakPolarHBondContact O-CD1 3.19Å; D32-K217 IonicContact OD2-NZ 3.11Å; D32-K217 PolarHBondContact OD2-NZ 3.16Å | ||
| 33 | H | 89.8 | Confident | 91.4 | Very high | 129 Ų | 129 | 51.4 Ų | 51.4 | 60% | 0.597 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | -16.8 | -179.1 | -60.3 | 112.6 | 0 | 0 | 0 | 114.1 | S51 | H33-S51 WeakPolarHBondContact CE1-CB 3.41Å; H33-S51 PolarHBondContact CE1-OG 3Å; H33-S51 PolarHBondContact ND1-OG 3.03Å |
| 34 | F | 87.1 | Confident | 91.6 | Very high | 172 Ų | 172 | 50.9 Ų | 50.9 | 75% | 0.754 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -102.1 | 14.7 | 178.6 | -55.6 | -75.4 | 0 | 0 | 0 | 112 | D32 V36 | D32-F34 PolarHBondContact O-N 2.97Å; D32-F34 VanDerWaalsContact O-N 3.09Å; D32-F34 WeakPolarHBondContact OD1-CA 3.45Å; D32-F34 PolarHBondContact OD1-N 2.84Å; F34-V36 HydrophobicContact CB-CG2 4.18Å; F34-V36 PolarHBondContact O-N 2.81Å; F34-V36 VanDerWaalsContact O-N 3.14Å |
| 35 | Q | 86.3 | Confident | 91.8 | Very high | 163 Ų | 163 | 54.9 Ų | 54.9 | 76% | 0.762 | 26% | 0.261 | S | S | * | . | trans | 59.8 | 18.2 | -176.3 | -51.6 | -172 | 24.5 | 0 | 0 | 114.3 | D32 | D32-Q35 PolarHBondContact O-N 2.82Å; D32-Q35 PolarHBondContact OD1-N 2.81Å | ||
| 36 | V | 85.3 | Confident | 91.9 | Very high | 60 Ų | 60 | 54.7 Ų | 54.7 | 36% | 0.364 | 26% | 0.261 | S | S | . | . | trans | -80.2 | 131.3 | 175 | -178 | 0 | 0 | 0 | 0 | 108.6 | M31 D32 F34 H38 | M31-V36 WeakPolarHBondContact CA-O 3.46Å; D32-V36 PolarHBondContact N-O 3.1Å; D32-V36 PolarHBondContact OD1-N 2.84Å; D32-V36 VanDerWaalsContact OD1-N 3.11Å; F34-V36 HydrophobicContact CB-CG2 4.18Å; F34-V36 PolarHBondContact O-N 2.81Å; F34-V36 VanDerWaalsContact O-N 3.14Å; V36-H38 PolarHBondContact O-CD2 3.41Å; V36-H38 PolarHBondContact O-NE2 3.29Å | ||
| 37 | Q | 90 | Very high | 91.8 | Very high | 87 Ų | 87 | 60.5 Ų | 60.5 | 41% | 0.407 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 137.9 | 177.4 | -64.2 | 178.8 | 0.1 | 0 | 0 | 110.5 | M31 | M31-Q37 HydrophobicContact CG-CG 4.44Å |
| 38 | H | 91.2 | Very high | 91.8 | Very high | 12 Ų | 12 | 68.3 Ų | 68.3 | 6% | 0.056 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 140.6 | 176.1 | -62.4 | -85.2 | 0 | 0 | 0 | 110 | Q29 F30 D32 V36 K217 | Q29-H38 CarbonylContact C-O 3.57Å; Q29-H38 VanDerWaalsContact CA-O 3.27Å; Q29-H38 WeakPolarHBondContact CA-O 3.49Å; F30-H38 HydrophobicContact CD1-CB 4.29Å; F30-H38 WeakPolarHBondContact CD1-O 3.42Å; F30-H38 HydrophobicContact CD2-CB 4.48Å; F30-H38 HydrophobicContact CE1-CB 3.74Å; F30-H38 HydrophobicContact CE2-CB 3.98Å; F30-H38 HydrophobicContact CZ-CB 3.57Å; F30-H38 PolarHBondContact N-O 2.96Å; F30-H38 PolarHBondContact O-N 2.83Å; D32-H38 IonicContact OD2-CD2 3.7Å; D32-H38 IonicContact OD2-CE1 3.76Å; D32-H38 IonicContact OD2-NE2 3.97Å; D32-H38 PolarHBondContact OD2-NE2 2.9Å; V36-H38 PolarHBondContact O-CD2 3.41Å; V36-H38 PolarHBondContact O-NE2 3.29Å; H38-K217 WeakPolarHBondContact CE1-CE 3.31Å; H38-K217 PolarHBondContact NE2-NZ 2.97Å; H38-K217 VanDerWaalsContact NE2-NZ 3.19Å |
| 39 | W | 93.9 | Very high | 91.6 | Very high | 31 Ų | 31 | 69.7 Ų | 69.7 | 12% | 0.117 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 134.4 | 167.6 | -66.4 | 111.3 | 0 | 0 | 0 | 110.9 | Q29 D41 R61 V62 K63 H221 | Q29-W39 HydrophobicContact CG-CD2 3.84Å; Q29-W39 HydrophobicContact CG-CE3 3.48Å; Q29-W39 VanDerWaalsContact CG-CE3 3.48Å; Q29-W39 HydrophobicContact CG-CH2 3.75Å; Q29-W39 HydrophobicContact CG-CZ2 4.08Å; Q29-W39 HydrophobicContact CG-CZ3 3.44Å; Q29-W39 VanDerWaalsContact CG-CZ3 3.44Å; W39-D41 PolarHBondContact O-N 2.87Å; W39-R61 HydrophobicContact CH2-CB 4.01Å; W39-R61 HydrophobicContact CZ3-CB 4.34Å; W39-V62 WeakPolarHBondContact CH2-O 3.33Å; W39-K63 HydrophobicContact CD2-CD 4.14Å; W39-K63 HydrophobicContact CD2-CG 4.13Å; W39-K63 HydrophobicContact CE3-CB 4.42Å; W39-K63 HydrophobicContact CE3-CD 4.21Å; W39-K63 HydrophobicContact CE3-CG 4.29Å; W39-K63 VanDerWaalsContact CH2-CA 3.5Å; W39-K63 HydrophobicContact CH2-CB 3.65Å; W39-K63 HydrophobicContact CH2-CG 4.03Å; W39-K63 HydrophobicContact CZ2-CB 3.94Å; W39-K63 HydrophobicContact CZ2-CG 3.85Å; W39-K63 HydrophobicContact CZ3-CB 3.9Å; W39-K63 HydrophobicContact CZ3-CG 4.23Å; W39-H221 AromaticContact CD1-CE1 3.93Å |
| 40 | L | 94.8 | Very high | 91.5 | Very high | 9 Ų | 9 | 69.1 Ų | 69.1 | 5% | 0.047 | 32% | 0.321 | C | S | . | . | trans | -64.9 | 125.3 | 170.9 | -177.4 | 67.6 | 0 | 0 | 0 | 109.6 | L10 L28 P42 I46 F58 | L10-L40 HydrophobicContact CD2-CD2 4.08Å; L28-L40 HydrophobicContact CB-CB 4.12Å; L28-L40 HydrophobicContact CB-CD2 4.24Å; L28-L40 HydrophobicContact CD1-CD2 3.93Å; L28-L40 WeakPolarHBondContact O-CB 3.5Å; L28-L40 PolarHBondContact O-N 2.99Å; L40-P42 VanDerWaalsContact O-CD 3.26Å; L40-P42 WeakPolarHBondContact O-CD 3.48Å; L40-I46 HydrophobicContact CD1-CG1 4.33Å; L40-F58 HydrophobicContact CD1-CE1 4.11Å; L40-F58 HydrophobicContact CD2-CE1 4.25Å | ||
| 41 | D | 93.1 | Very high | 91.2 | Very high | 9 Ų | 9 | 71.7 Ų | 71.7 | 5% | 0.048 | 34% | 0.341 | C | S | . | . | trans | -80.5 | 110.7 | 173.8 | -168.1 | -30.6 | 0 | 0 | 0 | 108.5 | W39 T43 K44 Q49 K224 | W39-D41 PolarHBondContact O-N 2.87Å; D41-T43 PolarHBondContact O-N 2.87Å; D41-T43 VanDerWaalsContact O-N 3.14Å; D41-T43 WeakPolarHBondContact OD1-CB 3.26Å; D41-T43 PolarHBondContact OD1-N 3.19Å; D41-T43 PolarHBondContact OD1-OG1 2.9Å; D41-K44 HydrophobicContact CB-CB 4.37Å; D41-K44 HydrophobicContact CB-CD 4.2Å; D41-K44 HydrophobicContact CB-CG 4.37Å; D41-K44 PolarHBondContact O-N 2.81Å; D41-K44 WeakPolarHBondContact OD2-CD 3.37Å; D41-K44 WeakPolarHBondContact OD2-CE 3.43Å; D41-K44 IonicContact OD2-NZ 3.83Å; D41-K44 PolarHBondContact OD2-NZ 3.28Å; D41-Q49 PolarHBondContact O-NE2 3.39Å; D41-K224 IonicContact OD2-NZ 3.89Å; D41-K224 PolarHBondContact OD2-NZ 3Å | ||
| 42 | P | 93.1 | Very high | 91.1 | Very high | 31 Ų | 31 | 71.6 Ų | 71.6 | 20% | 0.201 | 34% | 0.341 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -26.4 | -176.5 | -21.7 | 34.3 | 0 | 0 | 0 | 112.2 | G7 Q8 L40 K44 | G7-P42 PolarHBondContact N-O 3.35Å; Q8-P42 HydrophobicContact CB-CB 4.12Å; Q8-P42 WeakPolarHBondContact CB-O 3.43Å; Q8-P42 PolarHBondContact N-O 3.25Å; Q8-P42 VanDerWaalsContact OE1-CB 3.22Å; L40-P42 VanDerWaalsContact O-CD 3.26Å; L40-P42 WeakPolarHBondContact O-CD 3.48Å; P42-K44 PolarHBondContact O-N 3.32Å |
| 43 | T | 90.6 | Very high | 90.9 | Very high | 71 Ų | 71 | 72.9 Ų | 72.9 | 44% | 0.436 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.8 | 2.2 | -176.4 | 75.9 | 0 | 0 | 0 | 0 | 114.2 | M6 D41 T258 | M6-T43 WeakPolarHBondContact CE-O 3.44Å; D41-T43 PolarHBondContact O-N 2.87Å; D41-T43 VanDerWaalsContact O-N 3.14Å; D41-T43 WeakPolarHBondContact OD1-CB 3.26Å; D41-T43 PolarHBondContact OD1-N 3.19Å; D41-T43 PolarHBondContact OD1-OG1 2.9Å; T43-T258 HydrophobicContact CG2-CG2 4.21Å |
| 44 | K | 92.3 | Very high | 90.7 | Very high | 85 Ų | 85 | 72.2 Ų | 72.2 | 37% | 0.37 | 36% | 0.364 | S | S | . | . | S | Bend | trans | -129.7 | 154.9 | -176.5 | -65.5 | -178.9 | -172.4 | 170 | 0 | 112.3 | G7 D41 P42 Q49 | G7-K44 PolarHBondContact N-O 3.04Å; D41-K44 HydrophobicContact CB-CB 4.37Å; D41-K44 HydrophobicContact CB-CD 4.2Å; D41-K44 HydrophobicContact CB-CG 4.37Å; D41-K44 PolarHBondContact O-N 2.81Å; D41-K44 WeakPolarHBondContact OD2-CD 3.37Å; D41-K44 WeakPolarHBondContact OD2-CE 3.43Å; D41-K44 IonicContact OD2-NZ 3.83Å; D41-K44 PolarHBondContact OD2-NZ 3.28Å; P42-K44 PolarHBondContact O-N 3.32Å; K44-Q49 HydrophobicContact CB-CG 4.12Å; K44-Q49 PolarHBondContact O-NE2 3.43Å |
| 45 | R | 94.2 | Very high | 90.8 | Very high | 111 Ų | 111 | 69.6 Ų | 69.6 | 42% | 0.419 | 36% | 0.364 | S | S | . | . | B | Isolated β-bridge | trans | -62.2 | 135.7 | 174.6 | -65.8 | -174.2 | -177.6 | 170.9 | 4.3 | 111.5 | A5 M6 K47 K48 | A5-R45 WeakPolarHBondContact O-CA 3.37Å; M6-R45 HydrophobicContact SD-CB 4.46Å; M6-R45 HydrophobicContact SD-CG 3.59Å; M6-R45 VanDerWaalsContact SD-CG 3.59Å; R45-K47 PolarHBondContact O-N 3.36Å; R45-K48 HydrophobicContact CB-CB 4.47Å; R45-K48 HydrophobicContact CB-CG 4.29Å; R45-K48 PolarHBondContact O-N 2.86Å; R45-K48 VanDerWaalsContact O-N 3.08Å |
| 46 | I | 94.1 | Very high | 91.1 | Very high | 5 Ų | 5 | 65.2 Ų | 65.2 | 3% | 0.026 | 34% | 0.343 | C | S | . | . | G | 310 helix | trans | -57.7 | -48.4 | -178.1 | -68.9 | 164 | 0 | 0 | 0 | 111.5 | M1 A5 M6 L10 L40 K48 Q49 V50 F56 F58 | M1-I46 HydrophobicContact CE-CD1 4.15Å; M1-I46 HydrophobicContact SD-CD1 3.32Å; M1-I46 WeakPolarHBondContact SD-CD1 3.13Å; A5-I46 HydrophobicContact CB-CD1 4.29Å; A5-I46 PolarHBondContact O-N 3.1Å; A5-I46 VanDerWaalsContact O-N 3.08Å; M6-I46 WeakPolarHBondContact O-CD1 3.45Å; L10-I46 HydrophobicContact CB-CD1 3.81Å; L10-I46 HydrophobicContact CD2-CD1 4.08Å; L40-I46 HydrophobicContact CD1-CG1 4.33Å; I46-K48 PolarHBondContact O-N 2.91Å; I46-Q49 PolarHBondContact O-N 3.06Å; I46-V50 HydrophobicContact CG2-CG2 4.35Å; I46-V50 PolarHBondContact O-N 3.46Å; I46-F56 HydrophobicContact CG2-CD2 4.4Å; I46-F58 HydrophobicContact CG2-CE2 4.43Å; I46-F58 HydrophobicContact CG2-CZ 3.75Å |
| 47 | K | 92.4 | Very high | 91.5 | Very high | 165 Ų | 165 | 66.9 Ų | 66.9 | 72% | 0.717 | 35% | 0.353 | S | S | * | . | G | 310 helix | trans | -59.1 | -22.2 | 179 | -171.9 | 174.3 | -178.9 | 178.5 | 0 | 114.2 | R45 | R45-K47 PolarHBondContact O-N 3.36Š|
| 48 | K | 92.3 | Very high | 91.7 | Very high | 173 Ų | 173 | 65.1 Ų | 65.1 | 75% | 0.752 | 34% | 0.344 | S | S | * | . | G | 310 helix | trans | -86 | -11.1 | 177.2 | -71.1 | -168.2 | 172.6 | -171.1 | 0 | 113.3 | R45 I46 | R45-K48 HydrophobicContact CB-CB 4.47Å; R45-K48 HydrophobicContact CB-CG 4.29Å; R45-K48 PolarHBondContact O-N 2.86Å; R45-K48 VanDerWaalsContact O-N 3.08Å; I46-K48 PolarHBondContact O-N 2.91Å |
| 49 | Q | 92.3 | Very high | 91.9 | Very high | 33 Ų | 33 | 70.4 Ų | 70.4 | 15% | 0.154 | 36% | 0.364 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -108.4 | -42.7 | -175.7 | -59.6 | -173.8 | 70.5 | 0 | 0 | 111.5 | F30 D41 K44 I46 | F30-Q49 HydrophobicContact CE1-CB 4.45Å; F30-Q49 WeakPolarHBondContact CE2-O 3.24Å; F30-Q49 HydrophobicContact CZ-CB 4.17Å; F30-Q49 WeakPolarHBondContact CZ-O 3.47Å; D41-Q49 PolarHBondContact O-NE2 3.39Å; K44-Q49 HydrophobicContact CB-CG 4.12Å; K44-Q49 PolarHBondContact O-NE2 3.43Å; I46-Q49 PolarHBondContact O-N 3.06Å |
| 50 | V | 92.4 | Very high | 91.8 | Very high | 6 Ų | 6 | 72.6 Ų | 72.6 | 4% | 0.036 | 37% | 0.374 | C | S | . | . | trans | -102 | 113.1 | -176.4 | -166.7 | 0 | 0 | 0 | 0 | 109 | F30 I46 I52 F56 F58 | F30-V50 HydrophobicContact CB-CG1 4.47Å; F30-V50 HydrophobicContact CB-CG2 4.28Å; F30-V50 HydrophobicContact CD1-CG2 3.94Å; F30-V50 HydrophobicContact CD2-CB 4.27Å; F30-V50 HydrophobicContact CD2-CG1 4.01Å; F30-V50 HydrophobicContact CD2-CG2 3.8Å; F30-V50 HydrophobicContact CE1-CG2 4.19Å; F30-V50 HydrophobicContact CE2-CB 4.49Å; F30-V50 HydrophobicContact CE2-CG2 4.05Å; F30-V50 HydrophobicContact CG-CG1 4.39Å; F30-V50 HydrophobicContact CG-CG2 3.74Å; F30-V50 HydrophobicContact CZ-CG2 4.23Å; I46-V50 HydrophobicContact CG2-CG2 4.35Å; I46-V50 PolarHBondContact O-N 3.46Å; V50-I52 WeakPolarHBondContact CG1-O 3.27Å; V50-F56 HydrophobicContact CB-CD1 3.92Å; V50-F56 HydrophobicContact CB-CE1 4.19Å; V50-F56 HydrophobicContact CG1-CD1 3.67Å; V50-F56 HydrophobicContact CG1-CE1 4.26Å; V50-F58 HydrophobicContact CG2-CE1 3.72Å; V50-F58 HydrophobicContact CG2-CZ 3.78Å | ||
| 51 | S | 88.3 | Confident | 91.8 | Very high | 66 Ų | 66 | 77.3 Ų | 77.3 | 46% | 0.462 | 39% | 0.391 | S | S | . | . | trans | -87.7 | -24.1 | -180 | 56.1 | 0 | 0 | 0 | 0 | 113.2 | H33 | H33-S51 WeakPolarHBondContact CE1-CB 3.41Å; H33-S51 PolarHBondContact CE1-OG 3Å; H33-S51 PolarHBondContact ND1-OG 3.03Å | ||
| 52 | I | 89.9 | Confident | 91.7 | Very high | 74 Ų | 74 | 79.1 Ų | 79.1 | 38% | 0.379 | 40% | 0.403 | S | S | . | . | S | Bend | trans | -89.5 | 118.9 | 179.9 | -59.7 | 176.5 | 0 | 0 | 0 | 108.9 | D32 V50 F56 | D32-I52 VanDerWaalsContact C-CD1 3.48Å; D32-I52 WeakPolarHBondContact O-CD1 3.19Å; V50-I52 WeakPolarHBondContact CG1-O 3.27Å; I52-F56 WeakPolarHBondContact O-CD1 3.45Å |
| 53 | G | 85.9 | Confident | 91.8 | Very high | 38 Ų | 38 | 78.8 Ų | 78.8 | 39% | 0.392 | 40% | 0.398 | S | S | . | . | trans | 124.6 | -178.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 54 | P | 85.1 | Confident | 91.9 | Very high | 115 Ų | 115 | 75.7 Ų | 75.7 | 75% | 0.747 | 38% | 0.379 | S | S | * | . | S | Bend | cis | -70.1 | 156.8 | -0.5 | 29.5 | -35.4 | 0 | 0 | 0 | 114 | ||
| 55 | P | 90.2 | Very high | 91.9 | Very high | 117 Ų | 117 | 76.1 Ų | 76.1 | 76% | 0.76 | 38% | 0.379 | S | S | * | . | S | Bend | cis | -69.5 | 138.9 | -4.2 | 29.9 | -34.2 | 0 | 0 | 0 | 111.7 | ||
| 56 | F | 91.7 | Very high | 91.5 | Very high | 72 Ų | 72 | 71.1 Ų | 71.1 | 32% | 0.316 | 36% | 0.361 | S | S | . | . | P | Polyproline II helix | trans | -81.8 | 133 | 174.7 | -62.5 | -64.7 | 0 | 0 | 0 | 109.5 | I46 V50 I52 F58 | I46-F56 HydrophobicContact CG2-CD2 4.4Å; V50-F56 HydrophobicContact CB-CD1 3.92Å; V50-F56 HydrophobicContact CB-CE1 4.19Å; V50-F56 HydrophobicContact CG1-CD1 3.67Å; V50-F56 HydrophobicContact CG1-CE1 4.26Å; I52-F56 WeakPolarHBondContact O-CD1 3.45Å; F56-F58 HydrophobicContact CB-CD2 4.37Å; F56-F58 HydrophobicContact CB-CE2 3.55Å; F56-F58 HydrophobicContact CB-CZ 4.08Å |
| 57 | T | 93.8 | Very high | 90.9 | Very high | 94 Ų | 94 | 73.9 Ų | 73.9 | 58% | 0.577 | 38% | 0.38 | S | S | * | . | trans | -108.3 | 126.1 | 178.9 | -54.1 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 58 | F | 95.2 | Very high | 90.4 | Very high | 50 Ų | 50 | 71.2 Ų | 71.2 | 22% | 0.219 | 37% | 0.371 | C | S | . | . | trans | -123.1 | 151.2 | 175.7 | -61.4 | -83 | 0 | 0 | 0 | 110.6 | L10 L28 Q29 F30 L40 I46 V50 F56 | L10-F58 HydrophobicContact CD2-CD1 4.4Å; L10-F58 HydrophobicContact CD2-CD2 3.73Å; L10-F58 HydrophobicContact CD2-CE1 4.35Å; L10-F58 HydrophobicContact CD2-CE2 3.67Å; L10-F58 HydrophobicContact CD2-CG 4.1Å; L10-F58 HydrophobicContact CD2-CZ 4Å; L28-F58 HydrophobicContact CB-CD1 4.4Å; Q29-F58 CarbonylContact O-C 3.51Å; Q29-F58 VanDerWaalsContact O-CA 3.28Å; Q29-F58 WeakPolarHBondContact O-CA 3.49Å; F30-F58 HydrophobicContact CB-CD1 4.03Å; F30-F58 HydrophobicContact CB-CE1 4.1Å; F30-F58 HydrophobicContact CD1-CE1 4.36Å; L40-F58 HydrophobicContact CD1-CE1 4.11Å; L40-F58 HydrophobicContact CD2-CE1 4.25Å; I46-F58 HydrophobicContact CG2-CE2 4.43Å; I46-F58 HydrophobicContact CG2-CZ 3.75Å; V50-F58 HydrophobicContact CG2-CE1 3.72Å; V50-F58 HydrophobicContact CG2-CZ 3.78Å; F56-F58 HydrophobicContact CB-CD2 4.37Å; F56-F58 HydrophobicContact CB-CE2 3.55Å; F56-F58 HydrophobicContact CB-CZ 4.08Å | ||
| 59 | R | 94 | Very high | 89.8 | Confident | 123 Ų | 123 | 63.3 Ų | 63.3 | 46% | 0.464 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 118.5 | 173 | -60.8 | -177.7 | -173 | -88.4 | 2.8 | 108.7 | Q29 R61 | Q29-R59 PolarHBondContact N-O 3.17Å; Q29-R59 PolarHBondContact O-N 3.27Å; R59-R61 HydrophobicContact CB-CG 4.37Å |
| 60 | F | 93.3 | Very high | 89.1 | Confident | 78 Ų | 78 | 64.8 Ų | 64.8 | 34% | 0.342 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 123.6 | 170.2 | 176.9 | -96.1 | 0 | 0 | 0 | 109 | I14 F15 L18 L20 F26 L28 | I14-F60 HydrophobicContact CG2-CD2 3.92Å; I14-F60 HydrophobicContact CG2-CE2 4.35Å; F15-F60 HydrophobicContact CD1-CE2 4.08Å; F15-F60 HydrophobicContact CE1-CD2 4.38Å; F15-F60 AromaticContact CE1-CE2 3.8Å; F15-F60 HydrophobicContact CE1-CE2 3.8Å; L18-F60 HydrophobicContact CD1-CD1 4.3Å; L18-F60 HydrophobicContact CD1-CD2 4.23Å; L18-F60 HydrophobicContact CD1-CE1 4.14Å; L18-F60 HydrophobicContact CD1-CE2 4.05Å; L18-F60 HydrophobicContact CD1-CG 4.34Å; L18-F60 HydrophobicContact CD1-CZ 4.02Å; L20-F60 HydrophobicContact CD1-CE1 4.44Å; L20-F60 HydrophobicContact CD1-CE2 3.64Å; L20-F60 HydrophobicContact CD1-CZ 3.36Å; F26-F60 HydrophobicContact CB-CD2 4.49Å; F26-F60 HydrophobicContact CB-CE2 3.55Å; F26-F60 HydrophobicContact CB-CZ 3.56Å; F26-F60 AromaticContact CD1-CE1 3.54Å; F26-F60 HydrophobicContact CD1-CE1 3.54Å; F26-F60 HydrophobicContact CD1-CE2 4.11Å; F26-F60 AromaticContact CD1-CZ 3.24Å; F26-F60 HydrophobicContact CD1-CZ 3.24Å; F26-F60 HydrophobicContact CD2-CZ 4.17Å; F26-F60 AromaticContact CE1-CE1 3.95Å; F26-F60 HydrophobicContact CE1-CE1 3.95Å; F26-F60 AromaticContact CE1-CZ 3.91Å; F26-F60 HydrophobicContact CE1-CZ 3.91Å; F26-F60 HydrophobicContact CG-CE1 4.18Å; F26-F60 AromaticContact CG-CE2 3.95Å; F26-F60 HydrophobicContact CG-CE2 3.95Å; F26-F60 AromaticContact CG-CZ 3.39Å; F26-F60 HydrophobicContact CG-CZ 3.39Å; L28-F60 HydrophobicContact CD2-CB 4.05Å; L28-F60 HydrophobicContact CD2-CD2 4.08Å |
| 61 | R | 93.2 | Very high | 88.1 | Confident | 107 Ų | 107 | 68.1 Ų | 68.1 | 40% | 0.404 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 157.6 | -176.7 | -66.7 | -155.2 | -169 | -107.7 | 4.1 | 111.5 | F26 G27 Q29 W39 R59 K63 | F26-R61 WeakPolarHBondContact CA-O 3.12Å; G27-R61 PolarHBondContact N-O 2.81Å; G27-R61 PolarHBondContact O-N 2.85Å; Q29-R61 VanDerWaalsContact OE1-NE 3.08Å; W39-R61 HydrophobicContact CH2-CB 4.01Å; W39-R61 HydrophobicContact CZ3-CB 4.34Å; R59-R61 HydrophobicContact CB-CG 4.37Å; R61-K63 PolarHBondContact O-N 3.16Å |
| 62 | V | 92.3 | Very high | 87.3 | Confident | 48 Ų | 48 | 67.8 Ų | 67.8 | 29% | 0.291 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.5 | 124.5 | 164.6 | -177.7 | 0 | 0 | 0 | 0 | 108.4 | F26 W39 F64 Y65 | F26-V62 HydrophobicContact CD1-CG2 4.12Å; F26-V62 HydrophobicContact CE1-CG2 3.84Å; W39-V62 WeakPolarHBondContact CH2-O 3.33Å; V62-F64 WeakPolarHBondContact CG1-O 3.42Å; V62-Y65 HydrophobicContact CB-CE1 4.2Å; V62-Y65 HydrophobicContact CB-CE2 3.93Å; V62-Y65 HydrophobicContact CG1-CD1 4.04Å; V62-Y65 HydrophobicContact CG1-CD2 3.75Å; V62-Y65 HydrophobicContact CG1-CE1 3.98Å; V62-Y65 HydrophobicContact CG1-CE2 3.69Å; V62-Y65 HydrophobicContact CG1-CG 3.93Å |
| 63 | K | 93.9 | Very high | 86 | Confident | 24 Ų | 24 | 67.4 Ų | 67.4 | 10% | 0.104 | 35% | 0.353 | C | S | . | . | S | Bend | trans | -96.1 | -39.8 | 177.1 | -176.9 | 174.1 | -177.4 | 178.4 | 0 | 111.5 | Y25 W39 R61 E228 | Y25-K63 WeakPolarHBondContact O-CA 3.39Å; Y25-K63 PolarHBondContact O-N 3.4Å; W39-K63 HydrophobicContact CD2-CD 4.14Å; W39-K63 HydrophobicContact CD2-CG 4.13Å; W39-K63 HydrophobicContact CE3-CB 4.42Å; W39-K63 HydrophobicContact CE3-CD 4.21Å; W39-K63 HydrophobicContact CE3-CG 4.29Å; W39-K63 VanDerWaalsContact CH2-CA 3.5Å; W39-K63 HydrophobicContact CH2-CB 3.65Å; W39-K63 HydrophobicContact CH2-CG 4.03Å; W39-K63 HydrophobicContact CZ2-CB 3.94Å; W39-K63 HydrophobicContact CZ2-CG 3.85Å; W39-K63 HydrophobicContact CZ3-CB 3.9Å; W39-K63 HydrophobicContact CZ3-CG 4.23Å; R61-K63 PolarHBondContact O-N 3.16Å; K63-E228 WeakPolarHBondContact CE-OE2 3.2Å; K63-E228 IonicContact NZ-OE1 2.81Å; K63-E228 PolarHBondContact NZ-OE1 2.89Å; K63-E228 IonicContact NZ-OE2 3.72Å; K63-E228 PolarHBondContact NZ-OE2 3.29Å |
| 64 | F | 93.8 | Very high | 84.8 | Confident | 5 Ų | 5 | 68.4 Ų | 68.4 | 2% | 0.022 | 35% | 0.347 | C | S | . | . | S | Bend | trans | -121.9 | 124.4 | 178.3 | -56.9 | -60.2 | 0 | 0 | 0 | 108.6 | D24 Y25 V62 E228 H229 F232 F233 Y257 | D24-F64 VanDerWaalsContact O-CD2 3.29Å; D24-F64 WeakPolarHBondContact O-CD2 3.4Å; Y25-F64 HydrophobicContact CD1-CB 4.07Å; Y25-F64 VanDerWaalsContact CD1-O 3.31Å; Y25-F64 WeakPolarHBondContact CD1-O 3.3Å; Y25-F64 PolarHBondContact O-N 2.96Å; Y25-F64 VanDerWaalsContact O-N 3.08Å; V62-F64 WeakPolarHBondContact CG1-O 3.42Å; F64-E228 HydrophobicContact CE1-CB 4.24Å; F64-E228 HydrophobicContact CZ-CB 4.04Å; F64-H229 AromaticContact CE1-ND1 3.97Å; F64-F232 HydrophobicContact CB-CD1 3.58Å; F64-F232 HydrophobicContact CB-CE1 3.43Å; F64-F232 VanDerWaalsContact CB-CE1 3.43Å; F64-F232 HydrophobicContact CB-CG 4.37Å; F64-F232 HydrophobicContact CB-CZ 4.11Å; F64-F232 HydrophobicContact CD1-CB 4.26Å; F64-F232 AromaticContact CD1-CD1 3.99Å; F64-F232 HydrophobicContact CD1-CD1 3.99Å; F64-F232 HydrophobicContact CD1-CG 4.2Å; F64-F232 HydrophobicContact CD2-CB 4.26Å; F64-F232 AromaticContact CD2-CD1 3.72Å; F64-F232 HydrophobicContact CD2-CD1 3.72Å; F64-F232 AromaticContact CD2-CD2 3.76Å; F64-F232 HydrophobicContact CD2-CD2 3.76Å; F64-F232 AromaticContact CD2-CE1 3.93Å; F64-F232 HydrophobicContact CD2-CE1 3.93Å; F64-F232 AromaticContact CD2-CE2 3.95Å; F64-F232 HydrophobicContact CD2-CE2 3.95Å; F64-F232 AromaticContact CD2-CG 3.62Å; F64-F232 HydrophobicContact CD2-CG 3.62Å; F64-F232 HydrophobicContact CD2-CZ 4.03Å; F64-F232 HydrophobicContact CE1-CB 4.09Å; F64-F232 HydrophobicContact CE1-CG 4.41Å; F64-F232 HydrophobicContact CE2-CB 4.1Å; F64-F232 HydrophobicContact CE2-CD1 4.4Å; F64-F232 AromaticContact CE2-CD2 3.92Å; F64-F232 HydrophobicContact CE2-CD2 3.92Å; F64-F232 HydrophobicContact CE2-CE2 4.45Å; F64-F232 AromaticContact CE2-CG 3.87Å; F64-F232 HydrophobicContact CE2-CG 3.87Å; F64-F232 HydrophobicContact CG-CB 4.35Å; F64-F232 AromaticContact CG-CD1 3.48Å; F64-F232 HydrophobicContact CG-CD1 3.48Å; F64-F232 VanDerWaalsContact CG-CD1 3.48Å; F64-F232 HydrophobicContact CG-CD2 4.37Å; F64-F232 AromaticContact CG-CE1 3.79Å; F64-F232 HydrophobicContact CG-CE1 3.79Å; F64-F232 AromaticContact CG-CG 3.81Å; F64-F232 HydrophobicContact CG-CG 3.81Å; F64-F232 HydrophobicContact CG-CZ 4.34Å; F64-F232 HydrophobicContact CZ-CB 4Å; F64-F232 HydrophobicContact CZ-CG 4.25Å; F64-F233 HydrophobicContact CB-CE2 4.17Å; F64-F233 HydrophobicContact CB-CZ 3.7Å; F64-F233 AromaticContact CD1-CE2 3.98Å; F64-F233 HydrophobicContact CD1-CE2 3.98Å; F64-F233 HydrophobicContact CD1-CZ 4.39Å; F64-F233 HydrophobicContact CG-CE2 4.42Å; F64-F233 HydrophobicContact CG-CZ 4.4Å; F64-Y257 HydrophobicContact CE2-CE2 4.42Å; F64-Y257 HydrophobicContact CZ-CE2 4.31Å |
| 65 | Y | 91.7 | Very high | 83.3 | Confident | 94 Ų | 94 | 67.8 Ų | 67.8 | 37% | 0.369 | 34% | 0.335 | S | S | . | . | trans | -96.6 | 119 | 176.3 | -72.2 | -102.4 | 0 | 0 | 0 | 108.2 | V62 Y140 G141 P161 F233 | V62-Y65 HydrophobicContact CB-CE1 4.2Å; V62-Y65 HydrophobicContact CB-CE2 3.93Å; V62-Y65 HydrophobicContact CG1-CD1 4.04Å; V62-Y65 HydrophobicContact CG1-CD2 3.75Å; V62-Y65 HydrophobicContact CG1-CE1 3.98Å; V62-Y65 HydrophobicContact CG1-CE2 3.69Å; V62-Y65 HydrophobicContact CG1-CG 3.93Å; Y65-Y140 HydrophobicContact CD1-CE2 4.06Å; Y65-G141 VanDerWaalsContact CD2-CA 3.43Å; Y65-P161 VanDerWaalsContact O-CG 3.32Å; Y65-P161 WeakPolarHBondContact O-CG 3.3Å; Y65-F233 WeakPolarHBondContact O-CZ 3.34Å | ||
| 66 | S | 86.8 | Confident | 81.3 | Confident | 7 Ų | 7 | 65.3 Ų | 65.3 | 5% | 0.049 | 31% | 0.314 | C | S | . | . | trans | -66.5 | 142.1 | 174.8 | -172.2 | 0 | 0 | 0 | 0 | 110.3 | E68 Y140 E262 | S66-E68 PolarHBondContact O-N 3.11Å; S66-E68 PolarHBondContact OG-N 3.44Å; S66-Y140 WeakPolarHBondContact O-CE1 3.26Å; S66-Y140 PolarHBondContact O-OH 3.29Å; S66-Y140 VanDerWaalsContact O-OH 3.14Å; S66-E262 PolarHBondContact OG-OE1 3.25Å | ||
| 67 | S | 81.1 | Confident | 78.8 | Confident | 62 Ų | 62 | 65.7 Ų | 65.7 | 43% | 0.434 | 32% | 0.323 | S | S | . | . | S | Bend | trans | -63.5 | -24.9 | 169.2 | -53.2 | 0 | 0 | 0 | 0 | 111.6 | P69 P161 | S67-P69 WeakPolarHBondContact O-CD 3.35Å; S67-P161 WeakPolarHBondContact OG-CB 3.41Å |
| 68 | E | 81.9 | Confident | 76.3 | Confident | 109 Ų | 109 | 64.4 Ų | 64.4 | 51% | 0.509 | 32% | 0.317 | S | S | . | . | trans | -125.5 | 73.7 | -179.4 | -65.8 | -176.2 | -154 | 0 | 0 | 109.6 | S66 N70 N71 | S66-E68 PolarHBondContact O-N 3.11Å; S66-E68 PolarHBondContact OG-N 3.44Å; E68-N70 PolarHBondContact O-N 3.08Å; E68-N71 HydrophobicContact CB-CB 4.45Å; E68-N71 WeakPolarHBondContact CB-ND2 3.44Å; E68-N71 WeakPolarHBondContact O-CB 3.49Å; E68-N71 PolarHBondContact O-N 2.78Å; E68-N71 PolarHBondContact OE2-ND2 3.37Å | ||
| 69 | P | 80 | Confident | 73.6 | Confident | 7 Ų | 7 | 65 Ų | 65 | 5% | 0.045 | 32% | 0.322 | C | S | . | . | G | 310 helix | trans | -61 | -16.3 | -178.4 | 25.9 | -35.1 | 0 | 0 | 0 | 113.4 | S67 N71 L72 L131 K135 | S67-P69 WeakPolarHBondContact O-CD 3.35Å; P69-N71 PolarHBondContact O-N 2.9Å; P69-L72 HydrophobicContact CB-CD1 4.45Å; P69-L72 WeakPolarHBondContact O-CB 3.29Å; P69-L72 PolarHBondContact O-N 2.93Å; P69-L131 HydrophobicContact CB-CB 4.37Å; P69-L131 HydrophobicContact CB-CD1 4.41Å; P69-L131 HydrophobicContact CG-CB 4.16Å; P69-K135 HydrophobicContact CG-CB 4.34Å; P69-K135 HydrophobicContact CG-CD 4.26Å |
| 70 | N | 76 | Confident | 71 | Confident | 65 Ų | 65 | 66.1 Ų | 66.1 | 35% | 0.348 | 34% | 0.342 | S | S | . | . | G | 310 helix | trans | -69.6 | -19.3 | 173.8 | -58.5 | -18.8 | 0 | 0 | 0 | 113.5 | E68 L72 L128 N132 | E68-N70 PolarHBondContact O-N 3.08Å; N70-L72 VanDerWaalsContact C-N 3.26Å; N70-L128 HydrophobicContact CB-CD1 4.29Å; N70-L128 WeakPolarHBondContact OD1-CD1 3.41Å; N70-N132 PolarHBondContact ND2-ND2 3.06Å; N70-N132 PolarHBondContact ND2-OD1 3.24Å; N70-N132 VanDerWaalsContact OD1-CG 3.26Å; N70-N132 PolarHBondContact OD1-ND2 3.4Å; N70-N132 PolarHBondContact OD1-OD1 2.87Å; N70-N132 VanDerWaalsContact OD1-OD1 3.11Å |
| 71 | N | 71.9 | Confident | 68.7 | Low | 75 Ų | 75 | 67.2 Ų | 67.2 | 40% | 0.401 | 36% | 0.36 | S | S | . | . | G | 310 helix | trans | -84.5 | -7.5 | 177.8 | -63.4 | -11.9 | 0 | 0 | 0 | 111.9 | E68 P69 H73 | E68-N71 HydrophobicContact CB-CB 4.45Å; E68-N71 WeakPolarHBondContact CB-ND2 3.44Å; E68-N71 WeakPolarHBondContact O-CB 3.49Å; E68-N71 PolarHBondContact O-N 2.78Å; E68-N71 PolarHBondContact OE2-ND2 3.37Å; P69-N71 PolarHBondContact O-N 2.9Å; N71-H73 PolarHBondContact O-CD2 3.04Å; N71-H73 PolarHBondContact O-N 3.23Å |
| 72 | L | 71.3 | Confident | 66.6 | Low | 59 Ų | 59 | 65.2 Ų | 65.2 | 31% | 0.309 | 36% | 0.361 | S | S | . | . | trans | -68.9 | 122.7 | 171.8 | -63.2 | 176 | 0 | 0 | 0 | 107.9 | E22 Y25 P69 N70 | E22-L72 WeakPolarHBondContact OE1-CA 3.31Å; E22-L72 WeakPolarHBondContact OE1-CD2 3.49Å; E22-L72 WeakPolarHBondContact OE2-CA 3.48Å; E22-L72 VanDerWaalsContact OE2-CB 3.3Å; E22-L72 WeakPolarHBondContact OE2-CB 3.4Å; Y25-L72 HydrophobicContact CD2-CD2 3.9Å; Y25-L72 HydrophobicContact CE1-CD2 4.12Å; Y25-L72 HydrophobicContact CE2-CD2 3.36Å; Y25-L72 HydrophobicContact CG-CD2 4.44Å; Y25-L72 VanDerWaalsContact CZ-CD2 3.48Å; P69-L72 HydrophobicContact CB-CD1 4.45Å; P69-L72 WeakPolarHBondContact O-CB 3.29Å; P69-L72 PolarHBondContact O-N 2.93Å; N70-L72 VanDerWaalsContact C-N 3.26Å | ||
| 73 | H | 63.5 | Low | 64.7 | Low | 67 Ų | 67 | 74.2 Ų | 74.2 | 31% | 0.31 | 39% | 0.39 | S | S | . | . | trans | -88.4 | -9.2 | -171.5 | -70.7 | -52.5 | 0 | 0 | 0 | 112.9 | E22 N71 E75 T269 | E22-H73 PolarHBondContact OE1-N 3.31Å; E22-H73 PolarHBondContact OE2-N 3.42Å; N71-H73 PolarHBondContact O-CD2 3.04Å; N71-H73 PolarHBondContact O-N 3.23Å; H73-E75 PolarHBondContact O-N 3.15Å; H73-T269 PolarHBondContact CD2-OG1 3.38Å | ||
| 74 | E | 60 | Low | 63.1 | Low | 59 Ų | 59 | 74.7 Ų | 74.7 | 28% | 0.276 | 40% | 0.399 | S | S | . | . | trans | -62.6 | 87.9 | 168.5 | -74.6 | -173.5 | -170.7 | 0 | 0 | 109.7 | L20 E21 E22 I76 | L20-E74 WeakPolarHBondContact CA-OE1 3.09Å; E21-E74 HydrophobicContact CB-CG 4.26Å; E21-E74 PolarHBondContact N-OE1 2.81Å; E22-E74 HydrophobicContact CB-CG 4.35Å; E22-E74 HydrophobicContact CG-CG 4.26Å; E22-E74 PolarHBondContact N-OE1 3.14Å; E22-E74 PolarHBondContact OE2-N 3.46Å; E74-I76 PolarHBondContact O-N 3.21Å | ||
| 75 | E | 53.5 | Low | 61.7 | Low | 102 Ų | 102 | 77.6 Ų | 77.6 | 48% | 0.477 | 41% | 0.414 | S | S | . | . | trans | -62.9 | 111.8 | 177.5 | -89.8 | -163.6 | 166.9 | 0 | 0 | 109.7 | H73 T77 H275 | H73-E75 PolarHBondContact O-N 3.15Å; E75-T77 WeakPolarHBondContact CB-OG1 3.29Å; E75-T77 VanDerWaalsContact CD-OG1 3.3Å; E75-T77 VanDerWaalsContact CG-OG1 3.3Å; E75-T77 WeakPolarHBondContact CG-OG1 3.29Å; E75-T77 PolarHBondContact O-N 3.43Å; E75-T77 VanDerWaalsContact OE2-CB 3.31Å; E75-T77 WeakPolarHBondContact OE2-CB 3.36Å; E75-T77 PolarHBondContact OE2-OG1 3.35Å; E75-H275 IonicContact OE2-CE1 3.14Å; E75-H275 PolarHBondContact OE2-CE1 3.3Å; E75-H275 IonicContact OE2-ND1 3.84Å; E75-H275 PolarHBondContact OE2-ND1 2.71Å | ||
| 76 | I | 48 | Very low | 60.7 | Low | 65 Ų | 65 | 76 Ų | 76 | 33% | 0.333 | 41% | 0.408 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57 | -2.8 | 157.7 | -55.7 | 179.5 | 0 | 0 | 0 | 111.5 | E74 S78 A124 E127 | E74-I76 PolarHBondContact O-N 3.21Å; I76-S78 PolarHBondContact O-N 2.96Å; I76-A124 HydrophobicContact CB-CB 4.06Å; I76-A124 HydrophobicContact CG2-CB 3.81Å; I76-A124 VanDerWaalsContact O-CB 3.3Å; I76-A124 WeakPolarHBondContact O-CB 3.43Å; I76-E127 HydrophobicContact CD1-CB 3.85Å; I76-E127 WeakPolarHBondContact CD1-OE2 3.38Å; I76-E127 HydrophobicContact CG2-CB 4.33Å; I76-E127 WeakPolarHBondContact CG2-OE2 3.27Å |
| 77 | T | 39.7 | Very low | 59.9 | Low | 80 Ų | 80 | 82.2 Ų | 82.2 | 49% | 0.491 | 44% | 0.44 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.4 | -9.4 | -161.2 | -47.7 | 0 | 0 | 0 | 0 | 116.1 | E75 M79 | E75-T77 WeakPolarHBondContact CB-OG1 3.29Å; E75-T77 VanDerWaalsContact CD-OG1 3.3Å; E75-T77 VanDerWaalsContact CG-OG1 3.3Å; E75-T77 WeakPolarHBondContact CG-OG1 3.29Å; E75-T77 PolarHBondContact O-N 3.43Å; E75-T77 VanDerWaalsContact OE2-CB 3.31Å; E75-T77 WeakPolarHBondContact OE2-CB 3.36Å; E75-T77 PolarHBondContact OE2-OG1 3.35Å; T77-M79 PolarHBondContact O-N 3.33Å |
| 78 | S | 40.8 | Very low | 59.7 | Low | 66 Ų | 66 | 85.8 Ų | 85.8 | 46% | 0.462 | 45% | 0.45 | S | S | . | . | trans | -100.2 | 71.2 | -179 | -160 | 0 | 0 | 0 | 0 | 113.9 | I76 | I76-S78 PolarHBondContact O-N 2.96Š| ||
| 79 | M | 38.6 | Very low | 59.9 | Low | 64 Ų | 64 | 82.6 Ų | 82.6 | 32% | 0.315 | 44% | 0.435 | S | S | . | . | trans | -153.8 | 87.2 | 150.4 | -168.8 | 156.7 | 40.7 | 0 | 0 | 111.8 | T77 S81 C82 R280 | T77-M79 PolarHBondContact O-N 3.33Å; M79-S81 PolarHBondContact O-N 3.35Å; M79-C82 WeakPolarHBondContact CE-SG 3.46Å; M79-C82 VanDerWaalsContact SD-SG 3.65Å; M79-R280 HydrophobicContact CE-CB 4.23Å; M79-R280 HydrophobicContact CE-CG 3.91Å | ||
| 80 | T | 39.6 | Very low | 60.5 | Low | 146 Ų | 146 | 84.4 Ų | 84.4 | 90% | 0.896 | 45% | 0.446 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.6 | 14.4 | 172.7 | -19.4 | 0 | 0 | 0 | 0 | 113.8 | ||
| 81 | S | 44.8 | Very low | 61.2 | Low | 101 Ų | 101 | 82.4 Ų | 82.4 | 71% | 0.706 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -133.5 | 5.3 | -167.9 | -152.6 | 0 | 0 | 0 | 0 | 116.3 | M79 R83 | M79-S81 PolarHBondContact O-N 3.35Å; S81-R83 VanDerWaalsContact C-N 3.27Å; S81-R83 PolarHBondContact O-N 2.92Å; S81-R83 VanDerWaalsContact O-N 3.09Å |
| 82 | C | 48.3 | Very low | 62.2 | Low | 65 Ų | 65 | 79.1 Ų | 79.1 | 44% | 0.439 | 42% | 0.42 | S | S | . | . | trans | -85 | 76.3 | 163.6 | -65.4 | 0 | 0 | 0 | 0 | 109.3 | M79 A84 P123 | M79-C82 WeakPolarHBondContact CE-SG 3.46Å; M79-C82 VanDerWaalsContact SD-SG 3.65Å; C82-A84 VanDerWaalsContact C-N 3.27Å; C82-A84 PolarHBondContact O-N 3.03Å; C82-P123 HydrophobicContact CB-CG 3.75Å | ||
| 83 | R | 53.2 | Low | 63.2 | Low | 236 Ų | 236 | 78.4 Ų | 78.4 | 89% | 0.891 | 41% | 0.414 | S | S | * | . | trans | -69.8 | 93.4 | 162.4 | -79.2 | -178.7 | 157.9 | 150.3 | -3.5 | 107.3 | S81 N85 | S81-R83 VanDerWaalsContact C-N 3.27Å; S81-R83 PolarHBondContact O-N 2.92Å; S81-R83 VanDerWaalsContact O-N 3.09Å; R83-N85 PolarHBondContact O-N 2.86Å | ||
| 84 | A | 59.9 | Low | 64.6 | Low | 35 Ų | 35 | 75.7 Ų | 75.7 | 29% | 0.289 | 40% | 0.402 | S | S | . | . | trans | -51.6 | 127.7 | 166.2 | 0 | 0 | 0 | 0 | 0 | 107.7 | C82 W86 F115 | C82-A84 VanDerWaalsContact C-N 3.27Å; C82-A84 PolarHBondContact O-N 3.03Å; A84-W86 HydrophobicContact CB-CD2 4.4Å; A84-W86 HydrophobicContact CB-CZ2 4.12Å; A84-W86 PolarHBondContact O-N 3.36Å; A84-W86 PolarHBondContact O-NE1 3.22Å; A84-F115 HydrophobicContact CB-CZ 4.17Å | ||
| 85 | N | 65.9 | Low | 66.2 | Low | 66 Ų | 66 | 72.9 Ų | 72.9 | 35% | 0.353 | 39% | 0.389 | S | S | . | . | trans | -76.8 | 86.7 | 175.3 | -164.5 | -22.5 | 0 | 0 | 0 | 108.6 | R83 N87 E88 | R83-N85 PolarHBondContact O-N 2.86Å; N85-N87 PolarHBondContact O-N 3.06Å; N85-N87 PolarHBondContact OD1-N 3.06Å; N85-E88 HydrophobicContact CB-CB 4.18Å; N85-E88 HydrophobicContact CB-CG 4.27Å; N85-E88 WeakPolarHBondContact CB-OE2 3.36Å; N85-E88 WeakPolarHBondContact ND2-CG 3.28Å; N85-E88 PolarHBondContact ND2-OE1 2.87Å; N85-E88 PolarHBondContact ND2-OE2 3.4Å; N85-E88 PolarHBondContact O-N 3.37Å; N85-E88 VanDerWaalsContact O-N 3.11Å | ||
| 86 | W | 69.8 | Low | 68.1 | Low | 61 Ų | 61 | 70 Ų | 70 | 23% | 0.231 | 38% | 0.376 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.2 | -17.2 | -175.3 | -57.4 | 95.2 | 0 | 0 | 0 | 113.9 | A84 F115 L118 R119 | A84-W86 HydrophobicContact CB-CD2 4.4Å; A84-W86 HydrophobicContact CB-CZ2 4.12Å; A84-W86 PolarHBondContact O-N 3.36Å; A84-W86 PolarHBondContact O-NE1 3.22Å; W86-F115 HydrophobicContact CD2-CE1 4.29Å; W86-F115 HydrophobicContact CD2-CZ 4.06Å; W86-F115 HydrophobicContact CE3-CD1 4.05Å; W86-F115 AromaticContact CE3-CE1 3.34Å; W86-F115 HydrophobicContact CE3-CE1 3.34Å; W86-F115 AromaticContact CE3-CE2 3.89Å; W86-F115 HydrophobicContact CE3-CE2 3.89Å; W86-F115 AromaticContact CE3-CZ 3.24Å; W86-F115 HydrophobicContact CE3-CZ 3.24Å; W86-F115 AromaticContact CH2-CE2 3.96Å; W86-F115 HydrophobicContact CH2-CE2 3.96Å; W86-F115 HydrophobicContact CH2-CZ 4.07Å; W86-F115 HydrophobicContact CZ3-CD1 4.15Å; W86-F115 AromaticContact CZ3-CD2 3.86Å; W86-F115 HydrophobicContact CZ3-CD2 3.86Å; W86-F115 AromaticContact CZ3-CE1 3.68Å; W86-F115 HydrophobicContact CZ3-CE1 3.68Å; W86-F115 AromaticContact CZ3-CE2 3.35Å; W86-F115 HydrophobicContact CZ3-CE2 3.35Å; W86-F115 HydrophobicContact CZ3-CG 4.24Å; W86-F115 AromaticContact CZ3-CZ 3.25Å; W86-F115 HydrophobicContact CZ3-CZ 3.25Å; W86-F115 WeakPolarHBondContact CZ3-O 3.38Å; W86-L118 WeakPolarHBondContact CH2-O 3.41Å; W86-R119 HydrophobicContact CD2-CB 4.34Å; W86-R119 HydrophobicContact CD2-CG 4.02Å; W86-R119 HydrophobicContact CE3-CB 4.28Å; W86-R119 HydrophobicContact CE3-CG 4.45Å; W86-R119 HydrophobicContact CG-CG 4.16Å; W86-R119 HydrophobicContact CZ3-CB 4.5Å |
| 87 | N | 70.8 | Confident | 70.2 | Confident | 137 Ų | 137 | 68.6 Ų | 68.6 | 73% | 0.733 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.4 | -9.8 | -176.5 | -64.4 | -20.8 | 0 | 0 | 0 | 113.9 | N85 | N85-N87 PolarHBondContact O-N 3.06Å; N85-N87 PolarHBondContact OD1-N 3.06Å |
| 88 | E | 76.1 | Confident | 72.6 | Confident | 136 Ų | 136 | 70.8 Ų | 70.8 | 64% | 0.636 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.1 | -16.4 | -178.3 | -76.5 | 175.5 | -178.2 | 0 | 0 | 113.5 | N85 T90 | N85-E88 HydrophobicContact CB-CB 4.18Å; N85-E88 HydrophobicContact CB-CG 4.27Å; N85-E88 WeakPolarHBondContact CB-OE2 3.36Å; N85-E88 WeakPolarHBondContact ND2-CG 3.28Å; N85-E88 PolarHBondContact ND2-OE1 2.87Å; N85-E88 PolarHBondContact ND2-OE2 3.4Å; N85-E88 PolarHBondContact O-N 3.37Å; N85-E88 VanDerWaalsContact O-N 3.11Å; E88-T90 PolarHBondContact O-N 3.36Å |
| 89 | H | 86.8 | Confident | 75 | Confident | 43 Ų | 43 | 73.5 Ų | 73.5 | 20% | 0.199 | 37% | 0.37 | C | S | . | . | trans | -76.3 | 125.4 | -176.4 | -63.2 | 172.7 | 0 | 0 | 0 | 111.6 | F93 L112 F115 | H89-F93 HydrophobicContact CB-CD1 3.82Å; H89-F93 HydrophobicContact CB-CE1 4.29Å; H89-F93 HydrophobicContact CB-CG 4.47Å; H89-F93 AromaticContact CD2-CD1 3.59Å; H89-F93 AromaticContact CD2-CE1 3.38Å; H89-F93 WeakPolarHBondContact CD2-CE1 3.44Å; H89-F93 AromaticContact CD2-CZ 3.68Å; H89-F93 AromaticContact CE1-CE1 3.6Å; H89-F93 AromaticContact CE1-CZ 3.98Å; H89-F93 AromaticContact CG-CD1 3.57Å; H89-F93 AromaticContact CG-CE1 3.54Å; H89-F93 AromaticContact ND1-CE1 3.67Å; H89-F93 AromaticContact NE2-CE1 3.44Å; H89-F93 WeakPolarHBondContact NE2-CE1 3.4Å; H89-F93 AromaticContact NE2-CZ 3.47Å; H89-F93 WeakPolarHBondContact NE2-CZ 3.3Å; H89-L112 HydrophobicContact CB-CD1 3.92Å; H89-L112 WeakPolarHBondContact O-CD1 3.3Å; H89-F115 HydrophobicContact CB-CE1 4.39Å; H89-F115 AromaticContact CE1-CE1 4Å; H89-F115 AromaticContact CE1-CZ 3.62Å; H89-F115 AromaticContact ND1-CE1 3.19Å; H89-F115 WeakPolarHBondContact ND1-CE1 3.41Å; H89-F115 AromaticContact ND1-CZ 3.26Å; H89-F115 VanDerWaalsContact ND1-CZ 3.26Å; H89-F115 WeakPolarHBondContact ND1-CZ 3.18Å | ||
| 90 | T | 91.2 | Very high | 77.5 | Confident | 44 Ų | 44 | 72.5 Ų | 72.5 | 27% | 0.27 | 37% | 0.369 | S | S | . | . | trans | -115.6 | 169.8 | 174.5 | 74 | 0 | 0 | 0 | 0 | 111.1 | E88 A92 F93 V94 E296 | E88-T90 PolarHBondContact O-N 3.36Å; T90-A92 PolarHBondContact O-N 3.2Å; T90-A92 WeakPolarHBondContact OG1-CB 3.45Å; T90-A92 PolarHBondContact OG1-N 3.37Å; T90-F93 WeakPolarHBondContact O-CB 3.32Å; T90-F93 PolarHBondContact O-N 3.04Å; T90-F93 VanDerWaalsContact O-N 3.08Å; T90-F93 PolarHBondContact OG1-N 2.88Å; T90-V94 PolarHBondContact O-N 3.17Å; T90-E296 WeakPolarHBondContact CB-OE1 3.29Å; T90-E296 WeakPolarHBondContact CG2-OE1 3.37Å; T90-E296 PolarHBondContact OG1-OE1 2.94Å | ||
| 91 | P | 92.2 | Very high | 79.9 | Confident | 24 Ų | 24 | 71.9 Ų | 71.9 | 16% | 0.156 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -58.5 | -32.7 | 172.3 | -24.8 | 36.5 | 0 | 0 | 0 | 112.1 | F93 V94 S95 I109 L112 H292 | P91-F93 PolarHBondContact O-N 3.08Å; P91-V94 PolarHBondContact O-N 2.99Å; P91-S95 WeakPolarHBondContact O-CB 3.23Å; P91-S95 PolarHBondContact O-N 2.93Å; P91-I109 HydrophobicContact CB-CG1 4.15Å; P91-I109 HydrophobicContact CG-CG1 4.18Å; P91-L112 HydrophobicContact CG-CD2 3.77Å; P91-H292 VanDerWaalsContact C-CD2 3.46Å; P91-H292 WeakPolarHBondContact CB-CE1 3.47Å; P91-H292 WeakPolarHBondContact CB-NE2 3.44Å; P91-H292 PolarHBondContact O-CD2 3.41Å |
| 92 | A | 92.4 | Very high | 82.2 | Confident | 5 Ų | 5 | 73.7 Ų | 73.7 | 4% | 0.041 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -59.8 | -45.5 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | T90 V94 S95 E96 P288 H292 L293 | T90-A92 PolarHBondContact O-N 3.2Å; T90-A92 WeakPolarHBondContact OG1-CB 3.45Å; T90-A92 PolarHBondContact OG1-N 3.37Å; A92-V94 PolarHBondContact O-N 3.31Å; A92-S95 WeakPolarHBondContact O-CB 3.29Å; A92-S95 PolarHBondContact O-N 3.33Å; A92-S95 VanDerWaalsContact O-N 3.15Å; A92-S95 PolarHBondContact O-OG 2.92Å; A92-E96 PolarHBondContact O-N 3.35Å; A92-P288 HydrophobicContact CB-CB 4.27Å; A92-P288 WeakPolarHBondContact O-CB 3.44Å; A92-H292 HydrophobicContact CB-CB 3.92Å; A92-L293 HydrophobicContact CB-CD2 3.96Å |
| 93 | F | 91.6 | Very high | 84.3 | Confident | 44 Ų | 44 | 71.4 Ų | 71.4 | 19% | 0.193 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -59.5 | -43.8 | 174.3 | 174.2 | -96.4 | 0 | 0 | 0 | 112.6 | H89 T90 P91 S95 E96 F97 | H89-F93 HydrophobicContact CB-CD1 3.82Å; H89-F93 HydrophobicContact CB-CE1 4.29Å; H89-F93 HydrophobicContact CB-CG 4.47Å; H89-F93 AromaticContact CD2-CD1 3.59Å; H89-F93 AromaticContact CD2-CE1 3.38Å; H89-F93 WeakPolarHBondContact CD2-CE1 3.44Å; H89-F93 AromaticContact CD2-CZ 3.68Å; H89-F93 AromaticContact CE1-CE1 3.6Å; H89-F93 AromaticContact CE1-CZ 3.98Å; H89-F93 AromaticContact CG-CD1 3.57Å; H89-F93 AromaticContact CG-CE1 3.54Å; H89-F93 AromaticContact ND1-CE1 3.67Å; H89-F93 AromaticContact NE2-CE1 3.44Å; H89-F93 WeakPolarHBondContact NE2-CE1 3.4Å; H89-F93 AromaticContact NE2-CZ 3.47Å; H89-F93 WeakPolarHBondContact NE2-CZ 3.3Å; T90-F93 WeakPolarHBondContact O-CB 3.32Å; T90-F93 PolarHBondContact O-N 3.04Å; T90-F93 VanDerWaalsContact O-N 3.08Å; T90-F93 PolarHBondContact OG1-N 2.88Å; P91-F93 PolarHBondContact O-N 3.08Å; F93-S95 VanDerWaalsContact C-N 3.26Å; F93-S95 PolarHBondContact O-N 2.88Å; F93-E96 WeakPolarHBondContact O-CB 3.23Å; F93-E96 PolarHBondContact O-N 2.84Å; F93-E96 VanDerWaalsContact O-N 3.11Å; F93-F97 HydrophobicContact CD1-CE2 4.23Å; F93-F97 AromaticContact CE1-CE2 3.75Å; F93-F97 HydrophobicContact CE1-CE2 3.75Å; F93-F97 HydrophobicContact CE1-CZ 4.42Å; F93-F97 HydrophobicContact CE2-CE2 4.12Å; F93-F97 HydrophobicContact CE2-CZ 4.34Å; F93-F97 AromaticContact CZ-CE2 3.7Å; F93-F97 HydrophobicContact CZ-CE2 3.7Å; F93-F97 AromaticContact CZ-CZ 3.96Å; F93-F97 HydrophobicContact CZ-CZ 3.96Å; F93-F97 WeakPolarHBondContact O-CD2 3.2Å; F93-F97 WeakPolarHBondContact O-CE2 3.32Å |
| 94 | V | 92.8 | Very high | 86.3 | Confident | 10 Ų | 10 | 63.2 Ų | 63.2 | 6% | 0.061 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -61.5 | -38.8 | 176.4 | 178 | 0 | 0 | 0 | 0 | 110.9 | T90 P91 A92 E96 F97 F99 E108 I111 L112 | T90-V94 PolarHBondContact O-N 3.17Å; P91-V94 PolarHBondContact O-N 2.99Å; A92-V94 PolarHBondContact O-N 3.31Å; V94-E96 PolarHBondContact O-N 3.16Å; V94-F97 PolarHBondContact O-N 2.78Å; V94-F99 HydrophobicContact CG1-CE2 3.92Å; V94-E108 HydrophobicContact CG1-CB 4.19Å; V94-E108 HydrophobicContact CG1-CG 4.33Å; V94-I111 HydrophobicContact CG1-CB 3.95Å; V94-I111 HydrophobicContact CG1-CD1 4.31Å; V94-I111 HydrophobicContact CG1-CG2 3.64Å; V94-I111 HydrophobicContact CG2-CG2 4.44Å; V94-L112 HydrophobicContact CG2-CB 4.06Å; V94-L112 HydrophobicContact CG2-CD1 4.3Å |
| 95 | S | 93.9 | Very high | 87.9 | Confident | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 32% | 0.321 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -7 | 177.7 | 80.6 | 0 | 0 | 0 | 0 | 114.3 | P91 A92 F93 F97 R98 E108 P288 R289 | P91-S95 WeakPolarHBondContact O-CB 3.23Å; P91-S95 PolarHBondContact O-N 2.93Å; A92-S95 WeakPolarHBondContact O-CB 3.29Å; A92-S95 PolarHBondContact O-N 3.33Å; A92-S95 VanDerWaalsContact O-N 3.15Å; A92-S95 PolarHBondContact O-OG 2.92Å; F93-S95 VanDerWaalsContact C-N 3.26Å; F93-S95 PolarHBondContact O-N 2.88Å; S95-F97 PolarHBondContact O-N 3.29Å; S95-R98 PolarHBondContact O-NH1 2.88Å; S95-E108 VanDerWaalsContact CB-CD 3.45Å; S95-E108 VanDerWaalsContact CB-OE2 3.31Å; S95-E108 WeakPolarHBondContact CB-OE2 3.46Å; S95-P288 WeakPolarHBondContact OG-CA 3.22Å; S95-P288 VanDerWaalsContact OG-CB 3.29Å; S95-P288 WeakPolarHBondContact OG-CB 3.4Å; S95-R289 PolarHBondContact OG-N 2.96Å |
| 96 | E | 93 | Very high | 89.3 | Confident | 43 Ų | 43 | 65.7 Ų | 65.7 | 20% | 0.201 | 33% | 0.332 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.4 | -17.1 | 169.1 | -62.1 | -178.8 | -174.3 | 0 | 0 | 112 | A92 F93 V94 R285 Y286 P288 | A92-E96 PolarHBondContact O-N 3.35Å; F93-E96 WeakPolarHBondContact O-CB 3.23Å; F93-E96 PolarHBondContact O-N 2.84Å; F93-E96 VanDerWaalsContact O-N 3.11Å; V94-E96 PolarHBondContact O-N 3.16Å; E96-R285 HydrophobicContact CB-CB 4.39Å; E96-R285 CarbonylContact O-C 3.56Å; E96-R285 WeakPolarHBondContact O-CA 3.49Å; E96-R285 WeakPolarHBondContact OE2-CD 3.42Å; E96-R285 IonicContact OE2-CZ 3.76Å; E96-R285 IonicContact OE2-NE 3.92Å; E96-R285 IonicContact OE2-NH1 2.89Å; E96-R285 PolarHBondContact OE2-NH1 3.46Å; E96-Y286 WeakPolarHBondContact CA-O 2.91Å; E96-Y286 WeakPolarHBondContact CB-O 3.46Å; E96-Y286 PolarHBondContact O-N 3.45Å; E96-P288 HydrophobicContact CG-CB 4.21Å |
| 97 | F | 92.6 | Very high | 90.6 | Very high | 34 Ų | 34 | 66 Ų | 66 | 15% | 0.149 | 34% | 0.336 | C | S | . | . | S | Bend | trans | -103.3 | 155.3 | 179.6 | -54.7 | -81.7 | 0 | 0 | 0 | 111.2 | F93 V94 S95 F99 Q103 R285 | F93-F97 HydrophobicContact CD1-CE2 4.23Å; F93-F97 AromaticContact CE1-CE2 3.75Å; F93-F97 HydrophobicContact CE1-CE2 3.75Å; F93-F97 HydrophobicContact CE1-CZ 4.42Å; F93-F97 HydrophobicContact CE2-CE2 4.12Å; F93-F97 HydrophobicContact CE2-CZ 4.34Å; F93-F97 AromaticContact CZ-CE2 3.7Å; F93-F97 HydrophobicContact CZ-CE2 3.7Å; F93-F97 AromaticContact CZ-CZ 3.96Å; F93-F97 HydrophobicContact CZ-CZ 3.96Å; F93-F97 WeakPolarHBondContact O-CD2 3.2Å; F93-F97 WeakPolarHBondContact O-CE2 3.32Å; V94-F97 PolarHBondContact O-N 2.78Å; S95-F97 PolarHBondContact O-N 3.29Å; F97-F99 HydrophobicContact CB-CD2 4.33Å; F97-F99 HydrophobicContact CB-CE1 4.27Å; F97-F99 HydrophobicContact CB-CE2 3.67Å; F97-F99 HydrophobicContact CB-CZ 3.63Å; F97-F99 HydrophobicContact CD2-CZ 4.42Å; F97-F99 HydrophobicContact CG-CZ 4.17Å; F97-Q103 PolarHBondContact O-NE2 2.92Å; F97-Q103 PolarHBondContact O-OE1 3.06Å; F97-R285 HydrophobicContact CE1-CG 4.05Å; F97-R285 HydrophobicContact CZ-CG 4.32Å |
| 98 | R | 90.9 | Very high | 91.7 | Very high | 126 Ų | 126 | 59.6 Ų | 59.6 | 48% | 0.475 | 30% | 0.302 | S | S | . | . | trans | -117.6 | 95 | 175.6 | -63.4 | -68.1 | 173.4 | -83.1 | 0.1 | 108.8 | S95 Y286 G287 | S95-R98 PolarHBondContact O-NH1 2.88Å; R98-Y286 HydrophobicContact CB-CD2 4.47Å; R98-Y286 HydrophobicContact CB-CE2 4.18Å; R98-Y286 HydrophobicContact CG-CD2 3.55Å; R98-Y286 HydrophobicContact CG-CE2 3.58Å; R98-Y286 HydrophobicContact CG-CG 4.21Å; R98-G287 PolarHBondContact NH2-O 2.98Å | ||
| 99 | F | 90.5 | Very high | 92.6 | Very high | 124 Ų | 124 | 55.5 Ų | 55.5 | 54% | 0.544 | 28% | 0.284 | S | S | . | . | S | Bend | trans | -83.7 | -33.7 | -179.9 | -60.5 | -73.8 | 0 | 0 | 0 | 112.2 | V94 F97 I111 | V94-F99 HydrophobicContact CG1-CE2 3.92Å; F97-F99 HydrophobicContact CB-CD2 4.33Å; F97-F99 HydrophobicContact CB-CE1 4.27Å; F97-F99 HydrophobicContact CB-CE2 3.67Å; F97-F99 HydrophobicContact CB-CZ 3.63Å; F97-F99 HydrophobicContact CD2-CZ 4.42Å; F97-F99 HydrophobicContact CG-CZ 4.17Å; F99-I111 HydrophobicContact CD2-CD1 3.69Å; F99-I111 HydrophobicContact CE2-CD1 4.12Å; F99-I111 HydrophobicContact CE2-CG2 4.38Å; F99-I111 HydrophobicContact CG-CD1 4.37Å |
| 100 | C | 90.7 | Very high | 93.1 | Very high | 42 Ų | 42 | 58.3 Ų | 58.3 | 28% | 0.284 | 30% | 0.301 | S | S | . | . | S | Bend | trans | -144.9 | 159.9 | 175.4 | 70.6 | 0 | 0 | 0 | 0 | 111.4 | N102 | C100-N102 VanDerWaalsContact C-N 3.3Å; C100-N102 PolarHBondContact O-N 3.43Å |
| 101 | P | 90 | Very high | 93.2 | Very high | 133 Ų | 133 | 58.6 Ų | 58.6 | 86% | 0.864 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | -35.6 | -179.8 | -25.5 | 35.3 | 0 | 0 | 0 | 114.1 | ||
| 102 | N | 92.9 | Very high | 93.3 | Very high | 140 Ų | 140 | 57.9 Ų | 57.9 | 75% | 0.749 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.2 | 42 | -175.4 | -63.4 | -15.2 | 0 | 0 | 0 | 111.9 | C100 T104 | C100-N102 VanDerWaalsContact C-N 3.3Å; C100-N102 PolarHBondContact O-N 3.43Å; N102-T104 PolarHBondContact O-N 3.3Å |
| 103 | Q | 93.4 | Very high | 93.4 | Very high | 17 Ų | 17 | 61.3 Ų | 61.3 | 8% | 0.079 | 31% | 0.313 | C | S | . | . | trans | -67.7 | 117.7 | -177.3 | -172.6 | 174.7 | -63 | 0 | 0 | 111.3 | F97 M107 E108 R289 | F97-Q103 PolarHBondContact O-NE2 2.92Å; F97-Q103 PolarHBondContact O-OE1 3.06Å; Q103-M107 HydrophobicContact CG-SD 4.17Å; Q103-E108 HydrophobicContact CG-CG 3.99Å; Q103-E108 PolarHBondContact NE2-OE1 3.06Å; Q103-R289 PolarHBondContact O-NH2 3.08Å | ||
| 104 | T | 95.2 | Very high | 93.5 | Very high | 63 Ų | 63 | 65.6 Ų | 65.6 | 39% | 0.387 | 33% | 0.331 | S | S | . | . | trans | -95.5 | 166.4 | 179 | 71.5 | 0 | 0 | 0 | 0 | 112.2 | N102 E106 M107 E108 | N102-T104 PolarHBondContact O-N 3.3Å; T104-E106 VanDerWaalsContact C-N 3.34Å; T104-E106 WeakPolarHBondContact CB-OE2 3.44Å; T104-E106 PolarHBondContact OG1-OE2 3.09Å; T104-M107 PolarHBondContact O-N 2.92Å; T104-M107 PolarHBondContact OG1-N 2.85Å; T104-E108 WeakPolarHBondContact O-CG 3.35Å; T104-E108 PolarHBondContact O-N 3.41Å; T104-E108 VanDerWaalsContact O-N 3.16Å | ||
| 105 | E | 94.1 | Very high | 93.4 | Very high | 31 Ų | 31 | 67.5 Ų | 67.5 | 15% | 0.145 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -65.2 | -38.7 | 176.8 | -168.8 | -177.7 | 142.4 | 0 | 0 | 111.6 | M107 E108 I109 S291 H292 R295 | E105-M107 VanDerWaalsContact C-N 3.32Å; E105-M107 PolarHBondContact O-N 3.11Å; E105-E108 PolarHBondContact O-N 2.81Å; E105-I109 WeakPolarHBondContact O-CG1 3.06Å; E105-I109 PolarHBondContact O-N 3.26Å; E105-S291 VanDerWaalsContact OE2-CB 3.31Å; E105-S291 WeakPolarHBondContact OE2-CB 3.34Å; E105-S291 PolarHBondContact OE2-OG 3.3Å; E105-H292 WeakPolarHBondContact CG-CE1 3.43Å; E105-H292 IonicContact OE1-CE1 3.07Å; E105-H292 IonicContact OE1-ND1 2.98Å; E105-R295 IonicContact OE1-CZ 2.61Å; E105-R295 IonicContact OE1-NH1 3.88Å; E105-R295 PolarHBondContact OE1-NH1 3.44Å; E105-R295 IonicContact OE1-NH2 2.77Å; E105-R295 PolarHBondContact OE1-NH2 3.1Å |
| 106 | E | 94.9 | Very high | 93.2 | Very high | 122 Ų | 122 | 72.9 Ų | 72.9 | 57% | 0.57 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -62.4 | -43 | 176.4 | -61.7 | 73.2 | -157.7 | 0 | 0 | 110.6 | T104 E108 I109 D110 | T104-E106 VanDerWaalsContact C-N 3.34Å; T104-E106 WeakPolarHBondContact CB-OE2 3.44Å; T104-E106 PolarHBondContact OG1-OE2 3.09Å; E106-E108 VanDerWaalsContact C-N 3.33Å; E106-E108 PolarHBondContact O-N 3.19Å; E106-I109 WeakPolarHBondContact O-CB 3.44Å; E106-I109 PolarHBondContact O-N 2.85Å; E106-D110 PolarHBondContact O-N 3.14Å |
| 107 | M | 96 | Very high | 93.2 | Very high | 67 Ų | 67 | 75.4 Ų | 75.4 | 33% | 0.33 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -61.2 | -40.7 | 176.6 | -174.2 | -175.1 | -66.2 | 0 | 0 | 111.8 | Q103 T104 E105 I109 D110 I111 | Q103-M107 HydrophobicContact CG-SD 4.17Å; T104-M107 PolarHBondContact O-N 2.92Å; T104-M107 PolarHBondContact OG1-N 2.85Å; E105-M107 VanDerWaalsContact C-N 3.32Å; E105-M107 PolarHBondContact O-N 3.11Å; M107-I109 VanDerWaalsContact C-N 3.3Å; M107-I109 PolarHBondContact O-N 2.86Å; M107-D110 PolarHBondContact O-N 3.2Å; M107-I111 HydrophobicContact CG-CD1 3.85Å; M107-I111 HydrophobicContact CG-CG1 4.32Å; M107-I111 WeakPolarHBondContact O-CB 3.32Å; M107-I111 WeakPolarHBondContact O-CD1 3.49Å; M107-I111 WeakPolarHBondContact O-CG1 3.17Å; M107-I111 PolarHBondContact O-N 2.77Å; M107-I111 HydrophobicContact SD-CD1 4.47Å |
| 108 | E | 95.6 | Very high | 93.1 | Very high | 3 Ų | 3 | 76.6 Ų | 76.6 | 1% | 0.014 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -61.3 | -39.2 | 177.2 | -71.5 | 159.8 | -175.7 | 0 | 0 | 111.5 | V94 S95 Q103 T104 E105 E106 L112 R289 H292 | V94-E108 HydrophobicContact CG1-CB 4.19Å; V94-E108 HydrophobicContact CG1-CG 4.33Å; S95-E108 VanDerWaalsContact CB-CD 3.45Å; S95-E108 VanDerWaalsContact CB-OE2 3.31Å; S95-E108 WeakPolarHBondContact CB-OE2 3.46Å; Q103-E108 HydrophobicContact CG-CG 3.99Å; Q103-E108 PolarHBondContact NE2-OE1 3.06Å; T104-E108 WeakPolarHBondContact O-CG 3.35Å; T104-E108 PolarHBondContact O-N 3.41Å; T104-E108 VanDerWaalsContact O-N 3.16Å; E105-E108 PolarHBondContact O-N 2.81Å; E106-E108 VanDerWaalsContact C-N 3.33Å; E106-E108 PolarHBondContact O-N 3.19Å; E108-L112 PolarHBondContact O-N 3.2Å; E108-L112 VanDerWaalsContact O-N 3.16Å; E108-R289 IonicContact OE1-CZ 2.76Å; E108-R289 IonicContact OE1-NE 3.34Å; E108-R289 IonicContact OE1-NH2 2.8Å; E108-R289 PolarHBondContact OE1-NH2 2.89Å; E108-R289 VanDerWaalsContact OE1-NH2 3.14Å; E108-R289 IonicContact OE2-CZ 3.63Å; E108-R289 IonicContact OE2-NE 2.84Å; E108-R289 PolarHBondContact OE2-NE 3.06Å; E108-R289 VanDerWaalsContact OE2-NE 3.11Å; E108-R289 IonicContact OE2-NH2 3.34Å; E108-H292 IonicContact OE2-CD2 2.76Å; E108-H292 PolarHBondContact OE2-CD2 3.1Å; E108-H292 IonicContact OE2-NE2 3.61Å; E108-H292 PolarHBondContact OE2-NE2 2.76Å |
| 109 | I | 94.5 | Very high | 92.9 | Very high | 50 Ų | 50 | 79.1 Ų | 79.1 | 26% | 0.256 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -68.4 | -44.7 | 174.9 | -64.2 | 165.8 | 0 | 0 | 0 | 111.1 | P91 E105 E106 M107 L112 N113 | P91-I109 HydrophobicContact CB-CG1 4.15Å; P91-I109 HydrophobicContact CG-CG1 4.18Å; E105-I109 WeakPolarHBondContact O-CG1 3.06Å; E105-I109 PolarHBondContact O-N 3.26Å; E106-I109 WeakPolarHBondContact O-CB 3.44Å; E106-I109 PolarHBondContact O-N 2.85Å; M107-I109 VanDerWaalsContact C-N 3.3Å; M107-I109 PolarHBondContact O-N 2.86Å; I109-L112 WeakPolarHBondContact O-CB 3.48Å; I109-L112 PolarHBondContact O-N 3.39Å; I109-N113 PolarHBondContact O-N 2.8Å; I109-N113 PolarHBondContact O-ND2 3.34Å |
| 110 | D | 96.2 | Very high | 92.6 | Very high | 103 Ų | 103 | 76.1 Ų | 76.1 | 55% | 0.551 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -64.8 | -39.7 | 179.3 | -73.8 | -16.8 | 0 | 0 | 0 | 112 | E106 M107 L112 N113 K114 | E106-D110 PolarHBondContact O-N 3.14Å; M107-D110 PolarHBondContact O-N 3.2Å; D110-L112 VanDerWaalsContact C-N 3.34Å; D110-L112 PolarHBondContact O-N 2.81Å; D110-N113 PolarHBondContact O-N 2.6Å; D110-K114 WeakPolarHBondContact O-CB 3.14Å; D110-K114 PolarHBondContact O-N 3.01Å |
| 111 | I | 94.5 | Very high | 92.4 | Very high | 50 Ų | 50 | 78 Ų | 78 | 26% | 0.256 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -58.9 | -46.4 | 172.8 | -72.2 | 164.8 | 0 | 0 | 0 | 110.1 | V94 F99 M107 N113 K114 F115 | V94-I111 HydrophobicContact CG1-CB 3.95Å; V94-I111 HydrophobicContact CG1-CD1 4.31Å; V94-I111 HydrophobicContact CG1-CG2 3.64Å; V94-I111 HydrophobicContact CG2-CG2 4.44Å; F99-I111 HydrophobicContact CD2-CD1 3.69Å; F99-I111 HydrophobicContact CE2-CD1 4.12Å; F99-I111 HydrophobicContact CE2-CG2 4.38Å; F99-I111 HydrophobicContact CG-CD1 4.37Å; M107-I111 HydrophobicContact CG-CD1 3.85Å; M107-I111 HydrophobicContact CG-CG1 4.32Å; M107-I111 WeakPolarHBondContact O-CB 3.32Å; M107-I111 WeakPolarHBondContact O-CD1 3.49Å; M107-I111 WeakPolarHBondContact O-CG1 3.17Å; M107-I111 PolarHBondContact O-N 2.77Å; M107-I111 HydrophobicContact SD-CD1 4.47Å; I111-N113 PolarHBondContact O-N 2.84Å; I111-K114 PolarHBondContact O-N 3.14Å; I111-F115 VanDerWaalsContact O-CB 3.31Å; I111-F115 WeakPolarHBondContact O-CB 3.39Å; I111-F115 PolarHBondContact O-N 3.07Å |
| 112 | L | 93.7 | Very high | 92.1 | Very high | 9 Ų | 9 | 74.4 Ų | 74.4 | 5% | 0.047 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -62.4 | -43 | 177.6 | -178.9 | 64.5 | 0 | 0 | 0 | 111.8 | H89 P91 V94 E108 I109 D110 F115 K116 | H89-L112 HydrophobicContact CB-CD1 3.92Å; H89-L112 WeakPolarHBondContact O-CD1 3.3Å; P91-L112 HydrophobicContact CG-CD2 3.77Å; V94-L112 HydrophobicContact CG2-CB 4.06Å; V94-L112 HydrophobicContact CG2-CD1 4.3Å; E108-L112 PolarHBondContact O-N 3.2Å; E108-L112 VanDerWaalsContact O-N 3.16Å; I109-L112 WeakPolarHBondContact O-CB 3.48Å; I109-L112 PolarHBondContact O-N 3.39Å; D110-L112 VanDerWaalsContact C-N 3.34Å; D110-L112 PolarHBondContact O-N 2.81Å; L112-F115 HydrophobicContact CD1-CD1 4.4Å; L112-F115 PolarHBondContact O-N 3.37Å; L112-K116 WeakPolarHBondContact O-CG 3.31Å; L112-K116 PolarHBondContact O-N 2.75Å; L112-K116 VanDerWaalsContact O-N 3.11Å |
| 113 | N | 94.1 | Very high | 91.6 | Very high | 77 Ų | 77 | 69.2 Ų | 69.2 | 41% | 0.412 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -62.8 | -44 | 177.5 | -71.2 | -28.8 | 0 | 0 | 0 | 111 | I109 D110 I111 K116 | I109-N113 PolarHBondContact O-N 2.8Å; I109-N113 PolarHBondContact O-ND2 3.34Å; D110-N113 PolarHBondContact O-N 2.6Å; I111-N113 PolarHBondContact O-N 2.84Å; N113-K116 PolarHBondContact O-N 3.29Å |
| 114 | K | 93.7 | Very high | 90.8 | Very high | 134 Ų | 134 | 69 Ų | 69 | 58% | 0.583 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -64 | -43.7 | 175.8 | -172.4 | 63 | 177.2 | 176.7 | 0 | 111.7 | D110 I111 K116 T117 | D110-K114 WeakPolarHBondContact O-CB 3.14Å; D110-K114 PolarHBondContact O-N 3.01Å; I111-K114 PolarHBondContact O-N 3.14Å; K114-K116 VanDerWaalsContact C-N 3.28Å; K114-K116 PolarHBondContact O-N 3.12Å; K114-T117 WeakPolarHBondContact O-CB 3.29Å; K114-T117 PolarHBondContact O-N 3.08Å; K114-T117 PolarHBondContact O-OG1 3.15Å |
| 115 | F | 91 | Very high | 90.4 | Very high | 50 Ų | 50 | 70.9 Ų | 70.9 | 22% | 0.219 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -54.2 | -44.1 | 176.5 | 170.7 | -100.8 | 0 | 0 | 0 | 111.7 | A84 W86 H89 I111 L112 T117 L118 | A84-F115 HydrophobicContact CB-CZ 4.17Å; W86-F115 HydrophobicContact CD2-CE1 4.29Å; W86-F115 HydrophobicContact CD2-CZ 4.06Å; W86-F115 HydrophobicContact CE3-CD1 4.05Å; W86-F115 AromaticContact CE3-CE1 3.34Å; W86-F115 HydrophobicContact CE3-CE1 3.34Å; W86-F115 AromaticContact CE3-CE2 3.89Å; W86-F115 HydrophobicContact CE3-CE2 3.89Å; W86-F115 AromaticContact CE3-CZ 3.24Å; W86-F115 HydrophobicContact CE3-CZ 3.24Å; W86-F115 AromaticContact CH2-CE2 3.96Å; W86-F115 HydrophobicContact CH2-CE2 3.96Å; W86-F115 HydrophobicContact CH2-CZ 4.07Å; W86-F115 HydrophobicContact CZ3-CD1 4.15Å; W86-F115 AromaticContact CZ3-CD2 3.86Å; W86-F115 HydrophobicContact CZ3-CD2 3.86Å; W86-F115 AromaticContact CZ3-CE1 3.68Å; W86-F115 HydrophobicContact CZ3-CE1 3.68Å; W86-F115 AromaticContact CZ3-CE2 3.35Å; W86-F115 HydrophobicContact CZ3-CE2 3.35Å; W86-F115 HydrophobicContact CZ3-CG 4.24Å; W86-F115 AromaticContact CZ3-CZ 3.25Å; W86-F115 HydrophobicContact CZ3-CZ 3.25Å; W86-F115 WeakPolarHBondContact CZ3-O 3.38Å; H89-F115 HydrophobicContact CB-CE1 4.39Å; H89-F115 AromaticContact CE1-CE1 4Å; H89-F115 AromaticContact CE1-CZ 3.62Å; H89-F115 AromaticContact ND1-CE1 3.19Å; H89-F115 WeakPolarHBondContact ND1-CE1 3.41Å; H89-F115 AromaticContact ND1-CZ 3.26Å; H89-F115 VanDerWaalsContact ND1-CZ 3.26Å; H89-F115 WeakPolarHBondContact ND1-CZ 3.18Å; I111-F115 VanDerWaalsContact O-CB 3.31Å; I111-F115 WeakPolarHBondContact O-CB 3.39Å; I111-F115 PolarHBondContact O-N 3.07Å; L112-F115 HydrophobicContact CD1-CD1 4.4Å; L112-F115 PolarHBondContact O-N 3.37Å; F115-T117 PolarHBondContact O-N 3.36Å; F115-L118 WeakPolarHBondContact O-CB 3.44Å; F115-L118 PolarHBondContact O-N 2.9Å |
| 116 | K | 90.7 | Very high | 90.1 | Very high | 112 Ų | 112 | 71.5 Ų | 71.5 | 49% | 0.487 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -59.1 | -31.2 | 176.5 | -69.4 | 168.1 | -178.3 | 170.2 | 0 | 113.5 | L112 N113 K114 L118 | L112-K116 WeakPolarHBondContact O-CG 3.31Å; L112-K116 PolarHBondContact O-N 2.75Å; L112-K116 VanDerWaalsContact O-N 3.11Å; N113-K116 PolarHBondContact O-N 3.29Å; K114-K116 VanDerWaalsContact C-N 3.28Å; K114-K116 PolarHBondContact O-N 3.12Å; K116-L118 PolarHBondContact O-N 3.2Å |
| 117 | T | 91.3 | Very high | 89.6 | Confident | 97 Ų | 97 | 69.1 Ų | 69.1 | 60% | 0.595 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -73.1 | -15.4 | 177 | 72.5 | 0 | 0 | 0 | 0 | 113.5 | K114 F115 R119 | K114-T117 WeakPolarHBondContact O-CB 3.29Å; K114-T117 PolarHBondContact O-N 3.08Å; K114-T117 PolarHBondContact O-OG1 3.15Å; F115-T117 PolarHBondContact O-N 3.36Å; T117-R119 VanDerWaalsContact C-N 3.34Å |
| 118 | L | 90.4 | Very high | 89.1 | Confident | 58 Ų | 58 | 69.8 Ų | 69.8 | 30% | 0.304 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.2 | 13.6 | -178.1 | -55.4 | 176.1 | 0 | 0 | 0 | 112.6 | W86 F115 K116 G120 M121 | W86-L118 WeakPolarHBondContact CH2-O 3.41Å; F115-L118 WeakPolarHBondContact O-CB 3.44Å; F115-L118 PolarHBondContact O-N 2.9Å; K116-L118 PolarHBondContact O-N 3.2Å; L118-G120 PolarHBondContact O-N 3Å; L118-M121 HydrophobicContact CB-SD 4.18Å; L118-M121 HydrophobicContact CD2-CE 3.99Å; L118-M121 HydrophobicContact CD2-SD 3.9Å; L118-M121 WeakPolarHBondContact O-CB 3.1Å; L118-M121 PolarHBondContact O-N 2.72Å; L118-M121 VanDerWaalsContact O-N 3.12Å |
| 119 | R | 86.5 | Confident | 88.8 | Confident | 179 Ų | 179 | 71.7 Ų | 71.7 | 68% | 0.675 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | 127.7 | -178.4 | -173.2 | 177.7 | -176.5 | -175 | 1 | 110.8 | W86 T117 | W86-R119 HydrophobicContact CD2-CB 4.34Å; W86-R119 HydrophobicContact CD2-CG 4.02Å; W86-R119 HydrophobicContact CE3-CB 4.28Å; W86-R119 HydrophobicContact CE3-CG 4.45Å; W86-R119 HydrophobicContact CG-CG 4.16Å; W86-R119 HydrophobicContact CZ3-CB 4.5Å; T117-R119 VanDerWaalsContact C-N 3.34Å |
| 120 | G | 85.4 | Confident | 88.6 | Confident | 61 Ų | 61 | 77 Ų | 77 | 63% | 0.629 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 96 | -9.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | L118 | L118-G120 PolarHBondContact O-N 3Š|
| 121 | M | 87.3 | Confident | 88.3 | Confident | 81 Ų | 81 | 74.6 Ų | 74.6 | 40% | 0.399 | 39% | 0.387 | S | S | . | . | trans | -68.2 | 135.2 | 168 | -70.5 | -171.2 | 175.8 | 0 | 0 | 110.6 | L118 Q125 | L118-M121 HydrophobicContact CB-SD 4.18Å; L118-M121 HydrophobicContact CD2-CE 3.99Å; L118-M121 HydrophobicContact CD2-SD 3.9Å; L118-M121 WeakPolarHBondContact O-CB 3.1Å; L118-M121 PolarHBondContact O-N 2.72Å; L118-M121 VanDerWaalsContact O-N 3.12Å; M121-Q125 HydrophobicContact CB-CB 4.4Å | ||
| 122 | T | 83.7 | Confident | 88.1 | Confident | 59 Ų | 59 | 74.2 Ų | 74.2 | 36% | 0.362 | 39% | 0.386 | S | S | . | . | trans | -73.4 | 158.2 | 168.3 | 70.3 | 0 | 0 | 0 | 0 | 110 | A124 Q125 A126 | T122-A124 PolarHBondContact O-N 2.99Å; T122-Q125 PolarHBondContact O-N 2.92Å; T122-Q125 VanDerWaalsContact O-N 3.11Å; T122-Q125 WeakPolarHBondContact OG1-CG 3.48Å; T122-Q125 PolarHBondContact OG1-N 3.13Å; T122-Q125 VanDerWaalsContact OG1-N 3.17Å; T122-A126 PolarHBondContact O-N 3.14Å | ||
| 123 | P | 81.2 | Confident | 88 | Confident | 30 Ų | 30 | 78.6 Ų | 78.6 | 20% | 0.195 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -55.2 | -34.5 | 173.7 | -24 | 32.2 | 0 | 0 | 0 | 113 | C82 A126 E127 R280 | C82-P123 HydrophobicContact CB-CG 3.75Å; P123-A126 PolarHBondContact O-N 2.94Å; P123-E127 WeakPolarHBondContact O-CB 3.34Å; P123-E127 WeakPolarHBondContact O-CG 3.5Å; P123-E127 PolarHBondContact O-N 3.35Å; P123-R280 VanDerWaalsContact CB-NH1 3.3Å |
| 124 | A | 77.8 | Confident | 87.9 | Confident | 13 Ų | 13 | 75.3 Ų | 75.3 | 11% | 0.107 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -64.1 | -46.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113 | I76 T122 A126 E127 L128 | I76-A124 HydrophobicContact CB-CB 4.06Å; I76-A124 HydrophobicContact CG2-CB 3.81Å; I76-A124 VanDerWaalsContact O-CB 3.3Å; I76-A124 WeakPolarHBondContact O-CB 3.43Å; T122-A124 PolarHBondContact O-N 2.99Å; A124-A126 VanDerWaalsContact C-N 3.34Å; A124-E127 PolarHBondContact O-N 3.19Å; A124-L128 WeakPolarHBondContact O-CB 3.45Å; A124-L128 PolarHBondContact O-N 3.27Å |
| 125 | Q | 85.4 | Confident | 87.8 | Confident | 102 Ų | 102 | 71.2 Ų | 71.2 | 48% | 0.477 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -64.5 | -39.9 | 175.9 | -71.8 | 170 | -25.3 | 0 | 0 | 111.7 | M121 T122 L128 A129 | M121-Q125 HydrophobicContact CB-CB 4.4Å; T122-Q125 PolarHBondContact O-N 2.92Å; T122-Q125 VanDerWaalsContact O-N 3.11Å; T122-Q125 WeakPolarHBondContact OG1-CG 3.48Å; T122-Q125 PolarHBondContact OG1-N 3.13Å; T122-Q125 VanDerWaalsContact OG1-N 3.17Å; Q125-L128 PolarHBondContact O-N 2.84Å; Q125-A129 VanDerWaalsContact O-CB 3.31Å; Q125-A129 WeakPolarHBondContact O-CB 3.38Å; Q125-A129 PolarHBondContact O-N 3.43Å |
| 126 | A | 87.7 | Confident | 87.8 | Confident | 44 Ų | 44 | 78.4 Ų | 78.4 | 36% | 0.364 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -63.2 | -41.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | T122 P123 A124 A129 Y130 | T122-A126 PolarHBondContact O-N 3.14Å; P123-A126 PolarHBondContact O-N 2.94Å; A124-A126 VanDerWaalsContact C-N 3.34Å; A126-A129 PolarHBondContact O-N 2.95Å; A126-Y130 WeakPolarHBondContact O-CB 3.48Å; A126-Y130 PolarHBondContact O-N 3.01Å |
| 127 | E | 84.7 | Confident | 87.9 | Confident | 72 Ų | 72 | 78.1 Ų | 78.1 | 34% | 0.336 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -68.1 | -42 | 176.4 | -80 | 171.8 | -163 | 0 | 0 | 112.5 | I76 P123 A124 A129 Y130 L131 R280 | I76-E127 HydrophobicContact CD1-CB 3.85Å; I76-E127 WeakPolarHBondContact CD1-OE2 3.38Å; I76-E127 HydrophobicContact CG2-CB 4.33Å; I76-E127 WeakPolarHBondContact CG2-OE2 3.27Å; P123-E127 WeakPolarHBondContact O-CB 3.34Å; P123-E127 WeakPolarHBondContact O-CG 3.5Å; P123-E127 PolarHBondContact O-N 3.35Å; A124-E127 PolarHBondContact O-N 3.19Å; E127-A129 VanDerWaalsContact C-N 3.32Å; E127-A129 PolarHBondContact O-N 3.22Å; E127-Y130 WeakPolarHBondContact O-CB 3.37Å; E127-Y130 PolarHBondContact O-N 3.26Å; E127-L131 WeakPolarHBondContact O-CG 3.47Å; E127-L131 PolarHBondContact O-N 3.26Å; E127-R280 IonicContact OE1-CZ 2.95Å; E127-R280 IonicContact OE1-NH1 2.6Å; E127-R280 PolarHBondContact OE1-NH1 3.31Å; E127-R280 IonicContact OE1-NH2 3Å; E127-R280 PolarHBondContact OE1-NH2 2.91Å; E127-R280 IonicContact OE2-CZ 3.94Å; E127-R280 IonicContact OE2-NH1 2.85Å; E127-R280 IonicContact OE2-NH2 3.9Å; E127-R280 PolarHBondContact OE2-NH2 3.11Å |
| 128 | L | 85.3 | Confident | 87.8 | Confident | 81 Ų | 81 | 78.7 Ų | 78.7 | 42% | 0.424 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -61.4 | -42.1 | 173.9 | -173.8 | 65.4 | 0 | 0 | 0 | 111.5 | N70 A124 Q125 Y130 L131 N132 | N70-L128 HydrophobicContact CB-CD1 4.29Å; N70-L128 WeakPolarHBondContact OD1-CD1 3.41Å; A124-L128 WeakPolarHBondContact O-CB 3.45Å; A124-L128 PolarHBondContact O-N 3.27Å; Q125-L128 PolarHBondContact O-N 2.84Å; L128-Y130 VanDerWaalsContact C-N 3.34Å; L128-L131 PolarHBondContact O-N 3.35Å; L128-N132 WeakPolarHBondContact O-CB 3.36Å; L128-N132 PolarHBondContact O-N 2.96Å; L128-N132 PolarHBondContact O-ND2 3.02Å |
| 129 | A | 90.2 | Very high | 87.9 | Confident | 44 Ų | 44 | 80.6 Ų | 80.6 | 36% | 0.364 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -64.1 | -40.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q125 A126 E127 N132 T133 | Q125-A129 VanDerWaalsContact O-CB 3.31Å; Q125-A129 WeakPolarHBondContact O-CB 3.38Å; Q125-A129 PolarHBondContact O-N 3.43Å; A126-A129 PolarHBondContact O-N 2.95Å; E127-A129 VanDerWaalsContact C-N 3.32Å; E127-A129 PolarHBondContact O-N 3.22Å; A129-N132 PolarHBondContact O-N 2.92Å; A129-T133 PolarHBondContact O-N 2.83Å; A129-T133 PolarHBondContact O-OG1 3.21Å |
| 130 | Y | 90.9 | Very high | 88.2 | Confident | 162 Ų | 162 | 74.4 Ų | 74.4 | 64% | 0.635 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -60.6 | -51.8 | 174 | 176 | -91.6 | 0 | 0 | 0 | 111.2 | A126 E127 L128 N132 T133 A134 | A126-Y130 WeakPolarHBondContact O-CB 3.48Å; A126-Y130 PolarHBondContact O-N 3.01Å; E127-Y130 WeakPolarHBondContact O-CB 3.37Å; E127-Y130 PolarHBondContact O-N 3.26Å; L128-Y130 VanDerWaalsContact C-N 3.34Å; Y130-N132 VanDerWaalsContact C-N 3.3Å; Y130-N132 PolarHBondContact O-N 3.08Å; Y130-T133 WeakPolarHBondContact O-CB 3.45Å; Y130-T133 PolarHBondContact O-N 3.07Å; Y130-A134 HydrophobicContact CD1-CB 4.42Å; Y130-A134 HydrophobicContact CE1-CB 4.06Å; Y130-A134 WeakPolarHBondContact O-CB 3.33Å; Y130-A134 PolarHBondContact O-N 3.25Å |
| 131 | L | 89.5 | Confident | 88.5 | Confident | 51 Ų | 51 | 72.1 Ų | 72.1 | 27% | 0.267 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -61 | -38.9 | 179.4 | -69.5 | 174.9 | 0 | 0 | 0 | 112 | P69 E127 L128 T133 A134 K135 | P69-L131 HydrophobicContact CB-CB 4.37Å; P69-L131 HydrophobicContact CB-CD1 4.41Å; P69-L131 HydrophobicContact CG-CB 4.16Å; E127-L131 WeakPolarHBondContact O-CG 3.47Å; E127-L131 PolarHBondContact O-N 3.26Å; L128-L131 PolarHBondContact O-N 3.35Å; L131-T133 PolarHBondContact O-N 2.83Å; L131-A134 PolarHBondContact O-N 3.14Å; L131-K135 WeakPolarHBondContact O-CB 3.27Å; L131-K135 PolarHBondContact O-N 3.4Å |
| 132 | N | 89.5 | Confident | 88.9 | Confident | 43 Ų | 43 | 69.2 Ų | 69.2 | 23% | 0.23 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -63.3 | -26.4 | 175.1 | -88 | -58.2 | 0 | 0 | 0 | 114.4 | N70 L128 A129 Y130 K135 W136 | N70-N132 PolarHBondContact ND2-ND2 3.06Å; N70-N132 PolarHBondContact ND2-OD1 3.24Å; N70-N132 VanDerWaalsContact OD1-CG 3.26Å; N70-N132 PolarHBondContact OD1-ND2 3.4Å; N70-N132 PolarHBondContact OD1-OD1 2.87Å; N70-N132 VanDerWaalsContact OD1-OD1 3.11Å; L128-N132 WeakPolarHBondContact O-CB 3.36Å; L128-N132 PolarHBondContact O-N 2.96Å; L128-N132 PolarHBondContact O-ND2 3.02Å; A129-N132 PolarHBondContact O-N 2.92Å; Y130-N132 VanDerWaalsContact C-N 3.3Å; Y130-N132 PolarHBondContact O-N 3.08Å; N132-K135 WeakPolarHBondContact O-CE 3.38Å; N132-K135 PolarHBondContact OD1-NZ 2.73Å; N132-W136 PolarHBondContact O-NE1 3.05Å; N132-W136 VanDerWaalsContact O-NE1 3.12Å |
| 133 | T | 92.1 | Very high | 89.4 | Confident | 101 Ų | 101 | 68.2 Ų | 68.2 | 62% | 0.62 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -86.2 | -47.9 | 174.5 | -52.9 | 0 | 0 | 0 | 0 | 110.2 | A129 Y130 L131 K135 W136 | A129-T133 PolarHBondContact O-N 2.83Å; A129-T133 PolarHBondContact O-OG1 3.21Å; Y130-T133 WeakPolarHBondContact O-CB 3.45Å; Y130-T133 PolarHBondContact O-N 3.07Å; L131-T133 PolarHBondContact O-N 2.83Å; T133-K135 VanDerWaalsContact C-N 3.29Å; T133-K135 PolarHBondContact O-N 2.84Å; T133-W136 PolarHBondContact O-N 2.87Å |
| 134 | A | 92.1 | Very high | 90.1 | Very high | 8 Ų | 8 | 69.4 Ų | 69.4 | 7% | 0.066 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -61.5 | -34.3 | -175.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y130 L131 W136 L137 Y140 | Y130-A134 HydrophobicContact CD1-CB 4.42Å; Y130-A134 HydrophobicContact CE1-CB 4.06Å; Y130-A134 WeakPolarHBondContact O-CB 3.33Å; Y130-A134 PolarHBondContact O-N 3.25Å; L131-A134 PolarHBondContact O-N 3.14Å; A134-W136 PolarHBondContact O-N 2.95Å; A134-L137 HydrophobicContact CB-CD1 4.46Å; A134-L137 VanDerWaalsContact O-CB 3.3Å; A134-L137 WeakPolarHBondContact O-CB 3.4Å; A134-L137 WeakPolarHBondContact O-CG 3.43Å; A134-L137 PolarHBondContact O-N 3.32Å; A134-Y140 HydrophobicContact CB-CD2 4.43Å; A134-Y140 WeakPolarHBondContact O-CB 3.39Å |
| 135 | K | 91.3 | Very high | 90.9 | Very high | 47 Ų | 47 | 69.7 Ų | 69.7 | 20% | 0.204 | 36% | 0.362 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -20.1 | 179.3 | 72.8 | -177.3 | -175.3 | -173.1 | 0 | 114.4 | P69 L131 N132 T133 Y140 | P69-K135 HydrophobicContact CG-CB 4.34Å; P69-K135 HydrophobicContact CG-CD 4.26Å; L131-K135 WeakPolarHBondContact O-CB 3.27Å; L131-K135 PolarHBondContact O-N 3.4Å; N132-K135 WeakPolarHBondContact O-CE 3.38Å; N132-K135 PolarHBondContact OD1-NZ 2.73Å; T133-K135 VanDerWaalsContact C-N 3.29Å; T133-K135 PolarHBondContact O-N 2.84Å; K135-Y140 HydrophobicContact CB-CD1 4.25Å; K135-Y140 HydrophobicContact CB-CE1 4.07Å; K135-Y140 HydrophobicContact CB-CE2 4.48Å |
| 136 | W | 91.1 | Very high | 91.4 | Very high | 202 Ų | 202 | 68.4 Ų | 68.4 | 77% | 0.765 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.9 | -5.9 | 178.1 | -59 | 112.9 | 0 | 0 | 0 | 113.5 | N132 T133 A134 | N132-W136 PolarHBondContact O-NE1 3.05Å; N132-W136 VanDerWaalsContact O-NE1 3.12Å; T133-W136 PolarHBondContact O-N 2.87Å; A134-W136 PolarHBondContact O-N 2.95Å |
| 137 | L | 91.7 | Very high | 91.8 | Very high | 106 Ų | 106 | 66.4 Ų | 66.4 | 56% | 0.555 | 35% | 0.345 | S | S | * | . | S | Bend | trans | -68.3 | 135.7 | 175.8 | -64.1 | 173.9 | 0 | 0 | 0 | 109.5 | A134 M139 Y140 | A134-L137 HydrophobicContact CB-CD1 4.46Å; A134-L137 VanDerWaalsContact O-CB 3.3Å; A134-L137 WeakPolarHBondContact O-CB 3.4Å; A134-L137 WeakPolarHBondContact O-CG 3.43Å; A134-L137 PolarHBondContact O-N 3.32Å; L137-M139 PolarHBondContact O-N 3.12Å; L137-Y140 VanDerWaalsContact O-CB 3.23Å; L137-Y140 WeakPolarHBondContact O-CB 3.43Å; L137-Y140 PolarHBondContact O-N 3.17Å |
| 138 | P | 89.2 | Confident | 92.4 | Very high | 108 Ų | 108 | 66.6 Ų | 66.6 | 70% | 0.701 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | -28.4 | -177.1 | -28.4 | 35 | 0 | 0 | 0 | 114.9 | ||
| 139 | M | 92.4 | Very high | 92.9 | Very high | 98 Ų | 98 | 63 Ų | 63 | 48% | 0.483 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.8 | 9.6 | -179.4 | -61.3 | -54.7 | -66.6 | 0 | 0 | 113.3 | L137 G141 V142 F167 | L137-M139 PolarHBondContact O-N 3.12Å; M139-G141 PolarHBondContact O-N 2.99Å; M139-V142 HydrophobicContact CE-CB 4.01Å; M139-V142 HydrophobicContact CE-CG1 3.95Å; M139-V142 HydrophobicContact CE-CG2 4.47Å; M139-V142 PolarHBondContact O-N 3.04Å; M139-V142 HydrophobicContact SD-CG2 4.45Å; M139-F167 HydrophobicContact SD-CE1 4.19Å; M139-F167 HydrophobicContact SD-CE2 4.23Å; M139-F167 HydrophobicContact SD-CZ 3.7Å |
| 140 | Y | 93.3 | Very high | 92.9 | Very high | 50 Ų | 50 | 70.2 Ų | 70.2 | 20% | 0.196 | 35% | 0.354 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62 | 120.6 | 176.7 | 173.6 | -98.3 | 0 | 0 | 0 | 110.7 | Y65 S66 A134 K135 L137 V142 | Y65-Y140 HydrophobicContact CD1-CE2 4.06Å; S66-Y140 WeakPolarHBondContact O-CE1 3.26Å; S66-Y140 PolarHBondContact O-OH 3.29Å; S66-Y140 VanDerWaalsContact O-OH 3.14Å; A134-Y140 HydrophobicContact CB-CD2 4.43Å; A134-Y140 WeakPolarHBondContact O-CB 3.39Å; K135-Y140 HydrophobicContact CB-CD1 4.25Å; K135-Y140 HydrophobicContact CB-CE1 4.07Å; K135-Y140 HydrophobicContact CB-CE2 4.48Å; L137-Y140 VanDerWaalsContact O-CB 3.23Å; L137-Y140 WeakPolarHBondContact O-CB 3.43Å; L137-Y140 PolarHBondContact O-N 3.17Å; Y140-V142 PolarHBondContact O-N 3.36Å; Y140-V142 VanDerWaalsContact O-N 3.16Å |
| 141 | G | 92.7 | Very high | 92.9 | Very high | 13 Ų | 13 | 66.7 Ų | 66.7 | 13% | 0.134 | 35% | 0.346 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 66 | 13.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | Y65 M139 D143 | Y65-G141 VanDerWaalsContact CD2-CA 3.43Å; M139-G141 PolarHBondContact O-N 2.99Å; G141-D143 PolarHBondContact O-N 3.46Å |
| 142 | V | 95.1 | Very high | 93 | Very high | 20 Ų | 20 | 66.9 Ų | 66.9 | 12% | 0.121 | 36% | 0.36 | C | S | . | . | trans | -80 | 107.6 | -177.9 | -176 | 0 | 0 | 0 | 0 | 110.4 | M139 Y140 S144 T160 L165 | M139-V142 HydrophobicContact CE-CB 4.01Å; M139-V142 HydrophobicContact CE-CG1 3.95Å; M139-V142 HydrophobicContact CE-CG2 4.47Å; M139-V142 PolarHBondContact O-N 3.04Å; M139-V142 HydrophobicContact SD-CG2 4.45Å; Y140-V142 PolarHBondContact O-N 3.36Å; Y140-V142 VanDerWaalsContact O-N 3.16Å; V142-S144 PolarHBondContact O-N 3.43Å; V142-S144 PolarHBondContact O-OG 2.86Å; V142-T160 HydrophobicContact CG1-CG2 4.44Å; V142-T160 HydrophobicContact CG2-CG2 3.87Å; V142-L165 HydrophobicContact CG1-CD1 4.27Å; V142-L165 HydrophobicContact CG2-CD1 3.9Å | ||
| 143 | D | 94.8 | Very high | 93.3 | Very high | 38 Ų | 38 | 68.5 Ų | 68.5 | 20% | 0.203 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 101.3 | 170.9 | -179.4 | 22.2 | 0 | 0 | 0 | 109.3 | G141 H145 G158 L159 H229 | G141-D143 PolarHBondContact O-N 3.46Å; D143-H145 PolarHBondContact O-CD2 2.9Å; D143-H145 IonicContact OD1-CD2 3.06Å; D143-H145 IonicContact OD1-CE1 3.06Å; D143-H145 IonicContact OD1-NE2 3.67Å; D143-H145 PolarHBondContact OD1-NE2 2.89Å; D143-H145 IonicContact OD2-CE1 3.71Å; D143-H145 IonicContact OD2-NE2 2.8Å; D143-H145 PolarHBondContact OD2-NE2 3.02Å; D143-G158 WeakPolarHBondContact O-CA 3.04Å; D143-L159 HydrophobicContact CB-CB 4.21Å; D143-L159 PolarHBondContact N-O 3.38Å; D143-L159 VanDerWaalsContact N-O 3.17Å; D143-L159 PolarHBondContact O-N 2.94Å; D143-H229 IonicContact OD2-CE1 2.7Å |
| 144 | S | 94.9 | Very high | 93.5 | Very high | 54 Ų | 54 | 69.5 Ų | 69.5 | 38% | 0.378 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 130.6 | -166.8 | -60.6 | 0 | 0 | 0 | 0 | 112.7 | V142 L157 | V142-S144 PolarHBondContact O-N 3.43Å; V142-S144 PolarHBondContact O-OG 2.86Å; S144-L157 CarbonylContact C-O 3.51Å; S144-L157 WeakPolarHBondContact CA-O 3.36Å |
| 145 | H | 95.1 | Very high | 93.8 | Very high | 19 Ų | 19 | 71 Ų | 71 | 9% | 0.088 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 119.9 | -179.2 | -63 | -102.3 | 0 | 0 | 0 | 111.2 | D143 L157 H221 L222 | D143-H145 PolarHBondContact O-CD2 2.9Å; D143-H145 IonicContact OD1-CD2 3.06Å; D143-H145 IonicContact OD1-CE1 3.06Å; D143-H145 IonicContact OD1-NE2 3.67Å; D143-H145 PolarHBondContact OD1-NE2 2.89Å; D143-H145 IonicContact OD2-CE1 3.71Å; D143-H145 IonicContact OD2-NE2 2.8Å; D143-H145 PolarHBondContact OD2-NE2 3.02Å; H145-L157 PolarHBondContact N-O 2.97Å; H145-L157 PolarHBondContact O-N 3.21Å; H145-H221 AromaticContact CE1-CD2 3.61Å; H145-H221 AromaticContact CE1-NE2 3.6Å; H145-H221 AromaticContact ND1-CD2 3.97Å; H145-L222 HydrophobicContact CB-CB 4.48Å; H145-L222 HydrophobicContact CB-CD1 3.87Å; H145-L222 HydrophobicContact CB-CD2 3.97Å; H145-L222 HydrophobicContact CB-CG 4.32Å |
| 146 | T | 95.6 | Very high | 94.1 | Very high | 76 Ų | 76 | 70.2 Ų | 70.2 | 47% | 0.466 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 131.7 | 176.6 | -50.3 | 0 | 0 | 0 | 0 | 111.6 | E154 Y155 | T146-E154 HydrophobicContact CG2-CG 3.36Å; T146-E154 WeakPolarHBondContact CG2-OE1 3.5Å; T146-Y155 WeakPolarHBondContact CA-O 3.36Å |
| 147 | V | 97.1 | Very high | 94.4 | Very high | 2 Ų | 2 | 60.8 Ų | 60.8 | 1% | 0.012 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 161.1 | -178.5 | -53.6 | 0 | 0 | 0 | 0 | 111.2 | Y155 L157 F211 L213 L222 | V147-Y155 PolarHBondContact N-O 3.5Å; V147-Y155 PolarHBondContact O-N 3.36Å; V147-Y155 VanDerWaalsContact O-O 3.1Å; V147-L157 HydrophobicContact CG1-CD1 3.94Å; V147-L157 HydrophobicContact CG1-CG 4.18Å; V147-L157 HydrophobicContact CG2-CD1 3.94Å; V147-L157 HydrophobicContact CG2-CD2 4.44Å; V147-L157 HydrophobicContact CG2-CG 3.77Å; V147-F211 HydrophobicContact CB-CB 4.02Å; V147-F211 HydrophobicContact CB-CD1 4.41Å; V147-F211 HydrophobicContact CB-CG 4.49Å; V147-F211 HydrophobicContact CG1-CB 4.49Å; V147-F211 HydrophobicContact CG2-CB 3.99Å; V147-F211 HydrophobicContact CG2-CD1 3.48Å; V147-F211 VanDerWaalsContact CG2-CD1 3.48Å; V147-F211 HydrophobicContact CG2-CE1 4.19Å; V147-F211 HydrophobicContact CG2-CG 3.92Å; V147-L213 HydrophobicContact CB-CG 4.47Å; V147-L213 HydrophobicContact CG1-CD1 4.02Å; V147-L213 HydrophobicContact CG1-CD2 4.06Å; V147-L213 HydrophobicContact CG1-CG 3.87Å; V147-L222 HydrophobicContact CG1-CD2 3.77Å |
| 148 | L | 97.5 | Very high | 94.7 | Very high | 75 Ų | 75 | 55.7 Ų | 55.7 | 39% | 0.393 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 131.7 | 172.7 | -63.8 | 170.5 | 0 | 0 | 0 | 110.3 | N153 E154 F211 H212 | L148-N153 WeakPolarHBondContact CA-O 3.48Å; L148-E154 HydrophobicContact CD2-CB 4.31Å; L148-F211 CarbonylContact O-C 3.58Å; L148-F211 VanDerWaalsContact O-CA 3.3Å; L148-F211 WeakPolarHBondContact O-CA 3.37Å; L148-H212 HydrophobicContact CB-CB 4.29Å; L148-H212 PolarHBondContact N-O 3.38Å; L148-H212 PolarHBondContact O-N 3.11Å |
| 149 | G | 95.4 | Very high | 95 | Very high | 7 Ų | 7 | 50.6 Ų | 50.6 | 7% | 0.072 | 28% | 0.275 | C | S | . | . | trans | -72.2 | -179.7 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | D151 G152 N153 | G149-D151 VanDerWaalsContact C-N 3.3Å; G149-D151 WeakPolarHBondContact CA-OD1 3.44Å; G149-G152 PolarHBondContact O-N 2.87Å; G149-N153 PolarHBondContact N-O 3.3Å | ||
| 150 | K | 90.1 | Very high | 95.2 | Very high | 194 Ų | 194 | 46.5 Ų | 46.5 | 84% | 0.843 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.9 | -27.1 | 174.4 | -171.8 | -173 | 172 | -169 | 0 | 112.2 | G152 | K150-G152 PolarHBondContact O-N 2.72Š|
| 151 | D | 91.3 | Very high | 95.2 | Very high | 88 Ų | 88 | 45.5 Ų | 45.5 | 47% | 0.471 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | -12.6 | 173.4 | 56.3 | -4.8 | 0 | 0 | 0 | 113.6 | G149 N153 Y155 | G149-D151 VanDerWaalsContact C-N 3.3Å; G149-D151 WeakPolarHBondContact CA-OD1 3.44Å; D151-N153 VanDerWaalsContact C-N 3.34Å; D151-N153 VanDerWaalsContact CG-ND2 3.32Å; D151-N153 PolarHBondContact OD1-N 3.4Å; D151-N153 PolarHBondContact OD2-ND2 3.41Å; D151-Y155 WeakPolarHBondContact OD1-CE2 3.43Å; D151-Y155 PolarHBondContact OD2-OH 3.31Å |
| 152 | G | 91.8 | Very high | 95.2 | Very high | 55 Ų | 55 | 48.1 Ų | 48.1 | 57% | 0.567 | 27% | 0.269 | S | S | * | . | S | Bend | trans | 88.1 | -1.1 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114 | G149 K150 | G149-G152 PolarHBondContact O-N 2.87Å; K150-G152 PolarHBondContact O-N 2.72Å |
| 153 | N | 95 | Very high | 95.3 | Very high | 77 Ų | 77 | 47.1 Ų | 47.1 | 41% | 0.412 | 26% | 0.263 | S | S | . | . | trans | -78.8 | 153.1 | 178.1 | -65.3 | -37.7 | 0 | 0 | 0 | 111.4 | L148 G149 D151 Y155 | L148-N153 WeakPolarHBondContact CA-O 3.48Å; G149-N153 PolarHBondContact N-O 3.3Å; D151-N153 VanDerWaalsContact C-N 3.34Å; D151-N153 VanDerWaalsContact CG-ND2 3.32Å; D151-N153 PolarHBondContact OD1-N 3.4Å; D151-N153 PolarHBondContact OD2-ND2 3.41Å; N153-Y155 HydrophobicContact CB-CE2 3.8Å; N153-Y155 WeakPolarHBondContact O-CD2 3.38Å | ||
| 154 | E | 97.2 | Very high | 95.4 | Very high | 123 Ų | 123 | 45.6 Ų | 45.6 | 58% | 0.575 | 26% | 0.255 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 126.5 | 177.2 | -171.5 | 173.8 | 106.7 | 0 | 0 | 110.9 | T146 L148 | T146-E154 HydrophobicContact CG2-CG 3.36Å; T146-E154 WeakPolarHBondContact CG2-OE1 3.5Å; L148-E154 HydrophobicContact CD2-CB 4.31Å |
| 155 | Y | 97.5 | Very high | 95.5 | Very high | 38 Ų | 38 | 43.7 Ų | 43.7 | 15% | 0.149 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 154.9 | 176.5 | -62.7 | -85.8 | 0 | 0 | 0 | 110.1 | T146 V147 D151 N153 V166 F167 E168 I173 | T146-Y155 WeakPolarHBondContact CA-O 3.36Å; V147-Y155 PolarHBondContact N-O 3.5Å; V147-Y155 PolarHBondContact O-N 3.36Å; V147-Y155 VanDerWaalsContact O-O 3.1Å; D151-Y155 WeakPolarHBondContact OD1-CE2 3.43Å; D151-Y155 PolarHBondContact OD2-OH 3.31Å; N153-Y155 HydrophobicContact CB-CE2 3.8Å; N153-Y155 WeakPolarHBondContact O-CD2 3.38Å; Y155-V166 HydrophobicContact CD1-CG1 4.22Å; Y155-F167 CarbonylContact C-O 3.58Å; Y155-F167 VanDerWaalsContact CA-O 3.24Å; Y155-F167 WeakPolarHBondContact CA-O 3.48Å; Y155-E168 HydrophobicContact CD1-CB 4.13Å; Y155-E168 HydrophobicContact CE1-CB 4.15Å; Y155-I173 HydrophobicContact CD1-CD1 3.86Å; Y155-I173 HydrophobicContact CE1-CD1 3.59Å |
| 156 | T | 97.4 | Very high | 95.6 | Very high | 31 Ų | 31 | 43.3 Ų | 43.3 | 19% | 0.19 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 120.8 | 169.6 | -62.8 | 0 | 0 | 0 | 0 | 109.8 | F167 | T156-F167 PolarHBondContact N-O 2.89Å; T156-F167 PolarHBondContact O-N 2.94Å |
| 157 | L | 97.5 | Very high | 95.6 | Very high | 4 Ų | 4 | 40.5 Ų | 40.5 | 2% | 0.021 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 118.2 | 172.8 | -59.8 | -176.3 | 0 | 0 | 0 | 109.3 | S144 H145 V147 I164 L165 V166 L191 F211 L222 | S144-L157 CarbonylContact C-O 3.51Å; S144-L157 WeakPolarHBondContact CA-O 3.36Å; H145-L157 PolarHBondContact N-O 2.97Å; H145-L157 PolarHBondContact O-N 3.21Å; V147-L157 HydrophobicContact CG1-CD1 3.94Å; V147-L157 HydrophobicContact CG1-CG 4.18Å; V147-L157 HydrophobicContact CG2-CD1 3.94Å; V147-L157 HydrophobicContact CG2-CD2 4.44Å; V147-L157 HydrophobicContact CG2-CG 3.77Å; L157-I164 HydrophobicContact CB-CG2 4.17Å; L157-I164 HydrophobicContact CD2-CG2 4.33Å; L157-L165 CarbonylContact C-O 3.59Å; L157-L165 WeakPolarHBondContact CA-O 3.37Å; L157-V166 HydrophobicContact CD2-CB 4.37Å; L157-V166 HydrophobicContact CD2-CG1 4.15Å; L157-V166 HydrophobicContact CD2-CG2 3.86Å; L157-L191 HydrophobicContact CD1-CD2 4.29Å; L157-F211 HydrophobicContact CD1-CD2 3.93Å; L157-F211 HydrophobicContact CD1-CE2 4.07Å; L157-F211 HydrophobicContact CD1-CG 4.17Å; L157-F211 HydrophobicContact CD1-CZ 4.42Å; L157-F211 HydrophobicContact CD2-CE1 4.26Å; L157-F211 HydrophobicContact CD2-CE2 4.38Å; L157-F211 HydrophobicContact CD2-CZ 4.03Å; L157-L222 HydrophobicContact CD1-CD2 4.12Å |
| 158 | G | 97.3 | Very high | 95.6 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 114.4 | -180 | 0 | 0 | 0 | 0 | 0 | 111.7 | D143 I164 L165 | D143-G158 WeakPolarHBondContact O-CA 3.04Å; G158-I164 CarbonylContact O-C 3.56Å; G158-I164 WeakPolarHBondContact O-CA 3.43Å; G158-L165 PolarHBondContact N-O 3.25Å; G158-L165 PolarHBondContact O-N 3.38Å |
| 159 | L | 97.2 | Very high | 95.3 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 130.3 | 176.7 | -50.2 | 174.3 | 0 | 0 | 0 | 109.8 | D143 I164 W178 L222 C225 A226 | D143-L159 HydrophobicContact CB-CB 4.21Å; D143-L159 PolarHBondContact N-O 3.38Å; D143-L159 VanDerWaalsContact N-O 3.17Å; D143-L159 PolarHBondContact O-N 2.94Å; L159-I164 HydrophobicContact CD2-CD1 4.45Å; L159-I164 HydrophobicContact CD2-CG1 3.99Å; L159-I164 HydrophobicContact CD2-CG2 4.34Å; L159-W178 HydrophobicContact CD2-CH2 4.2Å; L159-L222 HydrophobicContact CD1-CD1 4.29Å; L159-L222 HydrophobicContact CD2-CD1 4.31Å; L159-L222 HydrophobicContact CG-CD1 4.48Å; L159-C225 VanDerWaalsContact CD1-C 3.45Å; L159-C225 HydrophobicContact CD1-CB 3.42Å; L159-C225 VanDerWaalsContact CD1-CB 3.42Å; L159-A226 HydrophobicContact CD1-CB 4.14Å; L159-A226 HydrophobicContact CD2-CB 3.79Å |
| 160 | T | 95.3 | Very high | 95.1 | Very high | 13 Ų | 13 | 48.6 Ų | 48.6 | 8% | 0.08 | 29% | 0.29 | C | S | . | . | trans | -134.9 | 166.4 | 179.8 | 67.5 | 0 | 0 | 0 | 0 | 110.8 | V142 T162 G163 L165 W178 | V142-T160 HydrophobicContact CG1-CG2 4.44Å; V142-T160 HydrophobicContact CG2-CG2 3.87Å; T160-T162 PolarHBondContact O-N 2.6Å; T160-T162 PolarHBondContact OG1-N 3.24Å; T160-G163 PolarHBondContact N-O 3.09Å; T160-G163 PolarHBondContact O-N 3.46Å; T160-G163 PolarHBondContact OG1-N 3.07Å; T160-G163 VanDerWaalsContact OG1-N 3.14Å; T160-G163 PolarHBondContact OG1-O 3.23Å; T160-L165 HydrophobicContact CG2-CD1 3.5Å; T160-L165 VanDerWaalsContact CG2-CD1 3.5Å; T160-L165 HydrophobicContact CG2-CG 3.94Å; T160-W178 PolarHBondContact O-NE1 2.99Å | ||
| 161 | P | 93.6 | Very high | 95.3 | Very high | 28 Ų | 28 | 45.8 Ų | 45.8 | 18% | 0.182 | 28% | 0.279 | C | S | . | . | S | Bend | trans | -55.6 | -32.4 | 172.4 | -25.7 | 34.5 | 0 | 0 | 0 | 113.5 | Y65 S67 W178 F233 | Y65-P161 VanDerWaalsContact O-CG 3.32Å; Y65-P161 WeakPolarHBondContact O-CG 3.3Å; S67-P161 WeakPolarHBondContact OG-CB 3.41Å; P161-W178 PolarHBondContact O-NE1 3.45Å; P161-F233 HydrophobicContact CB-CB 4.45Å; P161-F233 HydrophobicContact CB-CD1 3.76Å; P161-F233 HydrophobicContact CB-CD2 4.05Å; P161-F233 HydrophobicContact CB-CE1 3.9Å; P161-F233 HydrophobicContact CB-CE2 4.18Å; P161-F233 HydrophobicContact CB-CG 3.83Å; P161-F233 HydrophobicContact CB-CZ 4.1Å; P161-F233 HydrophobicContact CG-CD1 4.17Å; P161-F233 HydrophobicContact CG-CD2 4.31Å; P161-F233 HydrophobicContact CG-CE1 3.77Å; P161-F233 HydrophobicContact CG-CE2 3.93Å; P161-F233 HydrophobicContact CG-CG 4.42Å; P161-F233 HydrophobicContact CG-CZ 3.63Å |
| 162 | T | 93.5 | Very high | 95.5 | Very high | 68 Ų | 68 | 47.1 Ų | 47.1 | 42% | 0.417 | 28% | 0.281 | S | S | . | . | S | Bend | trans | -80.4 | -37 | -177.5 | -49.6 | 0 | 0 | 0 | 0 | 113.2 | T160 L175 F177 W178 | T160-T162 PolarHBondContact O-N 2.6Å; T160-T162 PolarHBondContact OG1-N 3.24Å; T162-L175 HydrophobicContact CG2-CD2 4.05Å; T162-F177 HydrophobicContact CG2-CD1 3.56Å; T162-F177 HydrophobicContact CG2-CE1 3.51Å; T162-W178 VanDerWaalsContact O-CD1 3.26Å; T162-W178 PolarHBondContact O-N 3.19Å |
| 163 | G | 95.6 | Very high | 95.6 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 170.8 | -159.3 | -170.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | T160 F176 | T160-G163 PolarHBondContact N-O 3.09Å; T160-G163 PolarHBondContact O-N 3.46Å; T160-G163 PolarHBondContact OG1-N 3.07Å; T160-G163 VanDerWaalsContact OG1-N 3.14Å; T160-G163 PolarHBondContact OG1-O 3.23Å; G163-F176 CarbonylContact C-O 3.58Å; G163-F176 WeakPolarHBondContact CA-O 3.33Å |
| 164 | I | 97.5 | Very high | 95.6 | Very high | 6 Ų | 6 | 46.1 Ų | 46.1 | 3% | 0.031 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 109.3 | 177.2 | -52 | 175.9 | 0 | 0 | 0 | 108.5 | L157 G158 L159 L175 F176 W178 L193 | L157-I164 HydrophobicContact CB-CG2 4.17Å; L157-I164 HydrophobicContact CD2-CG2 4.33Å; G158-I164 CarbonylContact O-C 3.56Å; G158-I164 WeakPolarHBondContact O-CA 3.43Å; L159-I164 HydrophobicContact CD2-CD1 4.45Å; L159-I164 HydrophobicContact CD2-CG1 3.99Å; L159-I164 HydrophobicContact CD2-CG2 4.34Å; I164-L175 WeakPolarHBondContact O-CA 3.46Å; I164-F176 HydrophobicContact CB-CB 4.38Å; I164-F176 HydrophobicContact CB-CD2 4.48Å; I164-F176 PolarHBondContact N-O 2.85Å; I164-F176 PolarHBondContact O-N 3.31Å; I164-W178 HydrophobicContact CD1-CH2 3.76Å; I164-W178 HydrophobicContact CD1-CZ3 3.69Å; I164-W178 HydrophobicContact CG1-CE3 4.43Å; I164-W178 HydrophobicContact CG1-CH2 3.37Å; I164-W178 HydrophobicContact CG1-CZ2 3.97Å; I164-W178 HydrophobicContact CG1-CZ3 3.65Å; I164-L193 HydrophobicContact CD1-CD1 4.18Å; I164-L193 HydrophobicContact CD1-CD2 4.22Å |
| 165 | L | 97.1 | Very high | 95.6 | Very high | 13 Ų | 13 | 42.2 Ų | 42.2 | 7% | 0.068 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 145 | 169.5 | -69.1 | 169 | 0 | 0 | 0 | 110.2 | V142 L157 G158 T160 F167 K172 L175 | V142-L165 HydrophobicContact CG1-CD1 4.27Å; V142-L165 HydrophobicContact CG2-CD1 3.9Å; L157-L165 CarbonylContact C-O 3.59Å; L157-L165 WeakPolarHBondContact CA-O 3.37Å; G158-L165 PolarHBondContact N-O 3.25Å; G158-L165 PolarHBondContact O-N 3.38Å; T160-L165 HydrophobicContact CG2-CD1 3.5Å; T160-L165 VanDerWaalsContact CG2-CD1 3.5Å; T160-L165 HydrophobicContact CG2-CG 3.94Å; L165-F167 HydrophobicContact CB-CD2 4.18Å; L165-F167 HydrophobicContact CB-CE2 3.52Å; L165-F167 HydrophobicContact CB-CZ 4.26Å; L165-F167 HydrophobicContact CD1-CE2 3.89Å; L165-F167 HydrophobicContact CD1-CZ 4Å; L165-F167 HydrophobicContact CG-CE2 4.26Å; L165-K172 HydrophobicContact CD2-CD 4.01Å; L165-K172 VanDerWaalsContact CD2-CE 3.42Å; L165-L175 HydrophobicContact CD2-CB 4.16Å; L165-L175 HydrophobicContact CD2-CD1 3.92Å; L165-L175 HydrophobicContact CD2-CG 4.43Å; L165-L175 HydrophobicContact CG-CD1 4.19Å |
| 166 | V | 96.8 | Very high | 95.5 | Very high | 11 Ų | 11 | 41.3 Ų | 41.3 | 7% | 0.067 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 126.6 | 173.6 | -171.8 | 0 | 0 | 0 | 0 | 108.7 | Y155 L157 I173 G174 F176 | Y155-V166 HydrophobicContact CD1-CG1 4.22Å; L157-V166 HydrophobicContact CD2-CB 4.37Å; L157-V166 HydrophobicContact CD2-CG1 4.15Å; L157-V166 HydrophobicContact CD2-CG2 3.86Å; V166-I173 PolarHBondContact O-N 3.27Å; V166-G174 PolarHBondContact N-O 3.48Å; V166-G174 PolarHBondContact O-N 3.14Å; V166-F176 HydrophobicContact CG2-CD2 3.84Å; V166-F176 HydrophobicContact CG2-CE2 3.46Å; V166-F176 VanDerWaalsContact CG2-CE2 3.46Å; V166-F176 HydrophobicContact CG2-CZ 4.29Å |
| 167 | F | 96.8 | Very high | 95.4 | Very high | 18 Ų | 18 | 45.2 Ų | 45.2 | 8% | 0.079 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 147 | 176.1 | -61.7 | -97.6 | 0 | 0 | 0 | 111.3 | M139 Y155 T156 L165 Q171 K172 | M139-F167 HydrophobicContact SD-CE1 4.19Å; M139-F167 HydrophobicContact SD-CE2 4.23Å; M139-F167 HydrophobicContact SD-CZ 3.7Å; Y155-F167 CarbonylContact C-O 3.58Å; Y155-F167 VanDerWaalsContact CA-O 3.24Å; Y155-F167 WeakPolarHBondContact CA-O 3.48Å; T156-F167 PolarHBondContact N-O 2.89Å; T156-F167 PolarHBondContact O-N 2.94Å; L165-F167 HydrophobicContact CB-CD2 4.18Å; L165-F167 HydrophobicContact CB-CE2 3.52Å; L165-F167 HydrophobicContact CB-CZ 4.26Å; L165-F167 HydrophobicContact CD1-CE2 3.89Å; L165-F167 HydrophobicContact CD1-CZ 4Å; L165-F167 HydrophobicContact CG-CE2 4.26Å; F167-Q171 CarbonylContact C-O 3.51Å; F167-Q171 WeakPolarHBondContact CA-O 3.14Å; F167-K172 HydrophobicContact CD1-CB 3.9Å; F167-K172 HydrophobicContact CE1-CB 3.68Å; F167-K172 HydrophobicContact CE1-CG 4.27Å; F167-K172 HydrophobicContact CZ-CB 4.44Å |
| 168 | E | 95.6 | Very high | 95.3 | Very high | 84 Ų | 84 | 45.4 Ų | 45.4 | 39% | 0.393 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 114.8 | 162.8 | 172.9 | 176.7 | -141.6 | 0 | 0 | 107.3 | Y155 A170 Q171 I173 | Y155-E168 HydrophobicContact CD1-CB 4.13Å; Y155-E168 HydrophobicContact CE1-CB 4.15Å; E168-A170 PolarHBondContact O-N 2.83Å; E168-A170 VanDerWaalsContact O-N 3.16Å; E168-Q171 PolarHBondContact N-O 3.41Å; E168-Q171 PolarHBondContact O-N 3.08Å; E168-I173 HydrophobicContact CB-CD1 3.23Å; E168-I173 HydrophobicContact CB-CG1 4.06Å; E168-I173 HydrophobicContact CG-CD1 4.41Å |
| 169 | G | 92.2 | Very high | 95.2 | Very high | 65 Ų | 65 | 49.5 Ų | 49.5 | 67% | 0.67 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.3 | -120.6 | -165.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||
| 170 | A | 91.8 | Very high | 95 | Very high | 105 Ų | 105 | 53 Ų | 53 | 87% | 0.868 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.6 | -8.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | E168 | E168-A170 PolarHBondContact O-N 2.83Å; E168-A170 VanDerWaalsContact O-N 3.16Å |
| 171 | Q | 94.5 | Very high | 95 | Very high | 135 Ų | 135 | 53.5 Ų | 53.5 | 63% | 0.631 | 31% | 0.307 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 126.3 | -175.5 | -177.1 | 174.2 | 2 | 0 | 0 | 110.7 | F167 E168 I173 | F167-Q171 CarbonylContact C-O 3.51Å; F167-Q171 WeakPolarHBondContact CA-O 3.14Å; E168-Q171 PolarHBondContact N-O 3.41Å; E168-Q171 PolarHBondContact O-N 3.08Å; Q171-I173 PolarHBondContact O-N 3.16Å |
| 172 | K | 95.2 | Very high | 95.1 | Very high | 116 Ų | 116 | 55.9 Ų | 55.9 | 50% | 0.504 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 119.6 | 169.5 | -179.8 | -178.8 | 169.5 | 179.2 | 0 | 109.2 | L165 F167 | L165-K172 HydrophobicContact CD2-CD 4.01Å; L165-K172 VanDerWaalsContact CD2-CE 3.42Å; F167-K172 HydrophobicContact CD1-CB 3.9Å; F167-K172 HydrophobicContact CE1-CB 3.68Å; F167-K172 HydrophobicContact CE1-CG 4.27Å; F167-K172 HydrophobicContact CZ-CB 4.44Å |
| 173 | I | 94.1 | Very high | 95.1 | Very high | 87 Ų | 87 | 59.5 Ų | 59.5 | 45% | 0.446 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | -38.9 | 176.9 | -61.8 | 167 | 0 | 0 | 0 | 111.1 | Y155 V166 E168 Q171 | Y155-I173 HydrophobicContact CD1-CD1 3.86Å; Y155-I173 HydrophobicContact CE1-CD1 3.59Å; V166-I173 PolarHBondContact O-N 3.27Å; E168-I173 HydrophobicContact CB-CD1 3.23Å; E168-I173 HydrophobicContact CB-CG1 4.06Å; E168-I173 HydrophobicContact CG-CD1 4.41Å; Q171-I173 PolarHBondContact O-N 3.16Å |
| 174 | G | 94.8 | Very high | 95.2 | Very high | 24 Ų | 24 | 61.1 Ų | 61.1 | 25% | 0.247 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -165.3 | 175.6 | -171.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | V166 | V166-G174 PolarHBondContact N-O 3.48Å; V166-G174 PolarHBondContact O-N 3.14Å |
| 175 | L | 95.9 | Very high | 95 | Very high | 41 Ų | 41 | 63.8 Ų | 63.8 | 22% | 0.215 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 114.6 | 175 | 172 | 58.6 | 0 | 0 | 0 | 109.3 | T162 I164 L165 F177 | T162-L175 HydrophobicContact CG2-CD2 4.05Å; I164-L175 WeakPolarHBondContact O-CA 3.46Å; L165-L175 HydrophobicContact CD2-CB 4.16Å; L165-L175 HydrophobicContact CD2-CD1 3.92Å; L165-L175 HydrophobicContact CD2-CG 4.43Å; L165-L175 HydrophobicContact CG-CD1 4.19Å; L175-F177 HydrophobicContact CD2-CD1 4.38Å; L175-F177 HydrophobicContact CD2-CE1 3.84Å; L175-F177 HydrophobicContact CD2-CE2 4.24Å; L175-F177 HydrophobicContact CD2-CZ 3.77Å; L175-F177 HydrophobicContact CG-CD2 4.49Å; L175-F177 HydrophobicContact CG-CE1 4.48Å; L175-F177 HydrophobicContact CG-CE2 4.34Å; L175-F177 HydrophobicContact CG-CZ 4.33Å; L175-F177 PolarHBondContact O-N 3.37Å |
| 176 | F | 96.1 | Very high | 94.9 | Very high | 19 Ų | 19 | 65 Ų | 65 | 8% | 0.083 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 106.8 | 170.3 | -57.4 | -57.8 | 0 | 0 | 0 | 109.6 | G163 I164 V166 V181 L193 V195 F209 | G163-F176 CarbonylContact C-O 3.58Å; G163-F176 WeakPolarHBondContact CA-O 3.33Å; I164-F176 HydrophobicContact CB-CB 4.38Å; I164-F176 HydrophobicContact CB-CD2 4.48Å; I164-F176 PolarHBondContact N-O 2.85Å; I164-F176 PolarHBondContact O-N 3.31Å; V166-F176 HydrophobicContact CG2-CD2 3.84Å; V166-F176 HydrophobicContact CG2-CE2 3.46Å; V166-F176 VanDerWaalsContact CG2-CE2 3.46Å; V166-F176 HydrophobicContact CG2-CZ 4.29Å; F176-V181 HydrophobicContact CB-CG2 4.26Å; F176-L193 HydrophobicContact CD2-CD2 3.4Å; F176-L193 VanDerWaalsContact CD2-CD2 3.4Å; F176-L193 HydrophobicContact CE2-CD2 3.68Å; F176-L193 HydrophobicContact CG-CD2 4.06Å; F176-V195 HydrophobicContact CB-CG2 4.18Å; F176-V195 HydrophobicContact CD1-CB 4.29Å; F176-V195 HydrophobicContact CD1-CG1 4.08Å; F176-V195 HydrophobicContact CD1-CG2 3.76Å; F176-V195 HydrophobicContact CE1-CG2 4.28Å; F176-V195 HydrophobicContact CG-CG2 3.97Å; F176-F209 HydrophobicContact CD1-CE2 4.4Å; F176-F209 AromaticContact CE1-CD2 3.99Å; F176-F209 HydrophobicContact CE1-CD2 3.99Å; F176-F209 HydrophobicContact CE1-CE1 4.36Å; F176-F209 AromaticContact CE1-CE2 3.4Å; F176-F209 HydrophobicContact CE1-CE2 3.4Å; F176-F209 VanDerWaalsContact CE1-CE2 3.4Å; F176-F209 AromaticContact CE1-CZ 3.63Å; F176-F209 HydrophobicContact CE1-CZ 3.63Å; F176-F209 HydrophobicContact CE2-CD2 4.35Å; F176-F209 HydrophobicContact CZ-CD1 4.06Å; F176-F209 AromaticContact CZ-CD2 3.67Å; F176-F209 HydrophobicContact CZ-CD2 3.67Å; F176-F209 AromaticContact CZ-CE1 3.88Å; F176-F209 HydrophobicContact CZ-CE1 3.88Å; F176-F209 AromaticContact CZ-CE2 3.48Å; F176-F209 HydrophobicContact CZ-CE2 3.48Å; F176-F209 VanDerWaalsContact CZ-CE2 3.48Å; F176-F209 AromaticContact CZ-CG 3.96Å; F176-F209 HydrophobicContact CZ-CG 3.96Å; F176-F209 AromaticContact CZ-CZ 3.59Å; F176-F209 HydrophobicContact CZ-CZ 3.59Å |
| 177 | F | 95.6 | Very high | 94.8 | Very high | 112 Ų | 112 | 72.3 Ų | 72.3 | 49% | 0.491 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.5 | 134.2 | 177.9 | -70 | -86.9 | 0 | 0 | 0 | 111.3 | T162 L175 P179 K180 V181 | T162-F177 HydrophobicContact CG2-CD1 3.56Å; T162-F177 HydrophobicContact CG2-CE1 3.51Å; L175-F177 HydrophobicContact CD2-CD1 4.38Å; L175-F177 HydrophobicContact CD2-CE1 3.84Å; L175-F177 HydrophobicContact CD2-CE2 4.24Å; L175-F177 HydrophobicContact CD2-CZ 3.77Å; L175-F177 HydrophobicContact CG-CD2 4.49Å; L175-F177 HydrophobicContact CG-CE1 4.48Å; L175-F177 HydrophobicContact CG-CE2 4.34Å; L175-F177 HydrophobicContact CG-CZ 4.33Å; L175-F177 PolarHBondContact O-N 3.37Å; F177-P179 VanDerWaalsContact C-CD 3.42Å; F177-P179 VanDerWaalsContact C-N 3.32Å; F177-P179 VanDerWaalsContact O-N 3.16Å; F177-K180 PolarHBondContact O-N 2.9Å; F177-V181 PolarHBondContact O-N 3.23Å |
| 178 | W | 95.4 | Very high | 94.7 | Very high | 9 Ų | 9 | 79.1 Ų | 79.1 | 3% | 0.034 | 42% | 0.415 | C | S | . | . | G | 310 helix | trans | -50 | -42.2 | -180 | -68.8 | 125.7 | 0 | 0 | 0 | 114.6 | L159 T160 P161 T162 I164 K180 V181 A226 H229 H230 | L159-W178 HydrophobicContact CD2-CH2 4.2Å; T160-W178 PolarHBondContact O-NE1 2.99Å; P161-W178 PolarHBondContact O-NE1 3.45Å; T162-W178 VanDerWaalsContact O-CD1 3.26Å; T162-W178 PolarHBondContact O-N 3.19Å; I164-W178 HydrophobicContact CD1-CH2 3.76Å; I164-W178 HydrophobicContact CD1-CZ3 3.69Å; I164-W178 HydrophobicContact CG1-CE3 4.43Å; I164-W178 HydrophobicContact CG1-CH2 3.37Å; I164-W178 HydrophobicContact CG1-CZ2 3.97Å; I164-W178 HydrophobicContact CG1-CZ3 3.65Å; W178-K180 PolarHBondContact O-N 3.18Å; W178-V181 HydrophobicContact CE3-CG2 4.3Å; W178-V181 PolarHBondContact O-N 3.32Å; W178-V181 VanDerWaalsContact O-N 3.16Å; W178-A226 HydrophobicContact CH2-CB 4.21Å; W178-H229 HydrophobicContact CZ2-CB 4.03Å; W178-H230 HydrophobicContact CD2-CB 4.25Å; W178-H230 HydrophobicContact CE3-CB 4.05Å; W178-H230 HydrophobicContact CZ3-CB 4.18Å |
| 179 | P | 93.9 | Very high | 94.7 | Very high | 86 Ų | 86 | 80 Ų | 80 | 56% | 0.558 | 42% | 0.418 | S | S | * | . | G | 310 helix | trans | -63.1 | -23.1 | 177.3 | -24.4 | 36 | 0 | 0 | 0 | 115.2 | F177 | F177-P179 VanDerWaalsContact C-CD 3.42Å; F177-P179 VanDerWaalsContact C-N 3.32Å; F177-P179 VanDerWaalsContact O-N 3.16Å |
| 180 | K | 94.5 | Very high | 95 | Very high | 72 Ų | 72 | 81 Ų | 81 | 31% | 0.313 | 40% | 0.404 | S | S | . | . | G | 310 helix | trans | -91.9 | -12.2 | 178 | -67.2 | -53.9 | -158.3 | 162.1 | 0 | 112.6 | F177 W178 T182 V195 V196 E204 | F177-K180 PolarHBondContact O-N 2.9Å; W178-K180 PolarHBondContact O-N 3.18Å; K180-T182 PolarHBondContact O-N 3.49Å; K180-V195 HydrophobicContact CB-CG1 3.85Å; K180-V195 CarbonylContact O-C 3.49Å; K180-V195 VanDerWaalsContact O-CA 3.26Å; K180-V195 WeakPolarHBondContact O-CA 3.5Å; K180-V195 WeakPolarHBondContact O-CG1 3.44Å; K180-V196 WeakPolarHBondContact CB-O 3.41Å; K180-V196 VanDerWaalsContact CD-O 3.29Å; K180-V196 WeakPolarHBondContact CD-O 3.47Å; K180-V196 PolarHBondContact O-N 3.43Å; K180-E204 IonicContact NZ-OE1 3.29Å; K180-E204 PolarHBondContact NZ-OE1 3.47Å |
| 181 | V | 95.5 | Very high | 95.3 | Very high | 25 Ų | 25 | 76.3 Ų | 76.3 | 15% | 0.152 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 108.7 | 175.2 | 178.2 | 0 | 0 | 0 | 0 | 109.9 | F176 F177 W178 L193 V195 | F176-V181 HydrophobicContact CB-CG2 4.26Å; F177-V181 PolarHBondContact O-N 3.23Å; W178-V181 HydrophobicContact CE3-CG2 4.3Å; W178-V181 PolarHBondContact O-N 3.32Å; W178-V181 VanDerWaalsContact O-N 3.16Å; V181-L193 HydrophobicContact CB-CD1 4.42Å; V181-L193 HydrophobicContact CG1-CD1 3.51Å; V181-L193 HydrophobicContact CG2-CD1 4.07Å; V181-V195 HydrophobicContact CG2-CG2 4.26Å |
| 182 | T | 94.3 | Very high | 95.4 | Very high | 78 Ų | 78 | 71.4 Ų | 71.4 | 48% | 0.479 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | -35.8 | 179.4 | 53.7 | 0 | 0 | 0 | 0 | 112.3 | K180 S194 V196 E206 | K180-T182 PolarHBondContact O-N 3.49Å; T182-S194 PolarHBondContact N-O 3.37Å; T182-S194 WeakPolarHBondContact OG1-CB 3.28Å; T182-S194 PolarHBondContact OG1-O 3.11Å; T182-V196 HydrophobicContact CG2-CB 4.24Å; T182-V196 HydrophobicContact CG2-CG2 3.4Å; T182-E206 PolarHBondContact OG1-OE1 3.4Å |
| 183 | R | 94.7 | Very high | 95.5 | Very high | 144 Ų | 144 | 66 Ų | 66 | 54% | 0.543 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 136.4 | -175.8 | -171.9 | 178.2 | 176.8 | -179.2 | -1.1 | 112.1 | D185 L193 S194 | R183-D185 IonicContact CZ-OD2 2.78Å; R183-D185 IonicContact NE-OD2 3.06Å; R183-D185 IonicContact NH2-OD2 3.7Å; R183-D185 PolarHBondContact NH2-OD2 2.78Å; R183-L193 WeakPolarHBondContact O-CA 3.17Å; R183-S194 PolarHBondContact N-O 3.01Å; R183-S194 PolarHBondContact O-N 2.96Å |
| 184 | L | 95.9 | Very high | 95.6 | Very high | 34 Ų | 34 | 62.2 Ų | 62.2 | 18% | 0.178 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 111.6 | 167.9 | -176.9 | 66.9 | 0 | 0 | 0 | 110 | L191 L193 W223 A226 | L184-L191 HydrophobicContact CD1-CD1 3.98Å; L184-L191 HydrophobicContact CD1-CD2 4.25Å; L184-L191 HydrophobicContact CD1-CG 4.07Å; L184-L193 HydrophobicContact CD1-CB 4.21Å; L184-L193 HydrophobicContact CD1-CD1 4.07Å; L184-W223 PolarHBondContact O-NE1 2.68Å; L184-A226 HydrophobicContact CD2-CB 3.32Å |
| 185 | D | 94.7 | Very high | 95.7 | Very high | 62 Ų | 62 | 61.1 Ų | 61.1 | 33% | 0.332 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 161.8 | -175.3 | -158 | -2.9 | 0 | 0 | 0 | 111.2 | R183 T192 | R183-D185 IonicContact CZ-OD2 2.78Å; R183-D185 IonicContact NE-OD2 3.06Å; R183-D185 IonicContact NH2-OD2 3.7Å; R183-D185 PolarHBondContact NH2-OD2 2.78Å; D185-T192 PolarHBondContact N-O 3.43Å; D185-T192 PolarHBondContact O-N 3.34Å |
| 186 | F | 94.9 | Very high | 95.6 | Very high | 39 Ų | 39 | 60.1 Ų | 60.1 | 17% | 0.171 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 145.2 | 175.9 | 82 | -78.2 | 0 | 0 | 0 | 112.5 | K190 L191 K220 W223 | F186-K190 CarbonylContact C-O 3.52Å; F186-K190 VanDerWaalsContact CA-O 3.27Å; F186-K190 WeakPolarHBondContact CA-O 3.18Å; F186-L191 HydrophobicContact CB-CD1 4.04Å; F186-K220 HydrophobicContact CD2-CB 4.38Å; F186-K220 HydrophobicContact CE1-CG 4.46Å; F186-K220 HydrophobicContact CE2-CB 3.78Å; F186-K220 HydrophobicContact CE2-CD 4.34Å; F186-K220 HydrophobicContact CE2-CG 4.03Å; F186-K220 HydrophobicContact CZ-CB 4.03Å; F186-K220 HydrophobicContact CZ-CD 4.07Å; F186-K220 HydrophobicContact CZ-CG 3.75Å; F186-W223 HydrophobicContact CB-CB 4.34Å; F186-W223 HydrophobicContact CB-CG 4.41Å; F186-W223 HydrophobicContact CD1-CB 3.85Å; F186-W223 AromaticContact CD1-CD1 3.72Å; F186-W223 AromaticContact CD1-CD2 3.54Å; F186-W223 HydrophobicContact CD1-CD2 3.54Å; F186-W223 AromaticContact CD1-CE2 3.98Å; F186-W223 HydrophobicContact CD1-CE3 4.07Å; F186-W223 AromaticContact CD1-CG 3.4Å; F186-W223 HydrophobicContact CD1-CG 3.4Å; F186-W223 VanDerWaalsContact CD1-CG 3.4Å; F186-W223 HydrophobicContact CE1-CB 4.48Å; F186-W223 AromaticContact CE1-CD2 3.67Å; F186-W223 HydrophobicContact CE1-CD2 3.67Å; F186-W223 AromaticContact CE1-CE3 3.71Å; F186-W223 HydrophobicContact CE1-CE3 3.71Å; F186-W223 HydrophobicContact CE1-CG 4.01Å; F186-W223 HydrophobicContact CE1-CZ3 4.26Å; F186-W223 HydrophobicContact CG-CB 4.22Å; F186-W223 HydrophobicContact CG-CG 4.19Å |
| 187 | K | 94.9 | Very high | 95.4 | Very high | 164 Ų | 164 | 63.3 Ų | 63.3 | 71% | 0.713 | 30% | 0.3 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 116.9 | 173.2 | -171.2 | 174.6 | -178.3 | 177.8 | 0 | 109.4 | K189 K190 | K187-K189 PolarHBondContact O-N 2.84Å; K187-K190 PolarHBondContact N-O 2.94Å; K187-K190 WeakPolarHBondContact O-CB 3.44Å; K187-K190 PolarHBondContact O-N 3.22Å |
| 188 | K | 94.6 | Very high | 95 | Very high | 161 Ų | 161 | 61.2 Ų | 61.2 | 70% | 0.7 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.4 | -114.9 | -174.3 | -59.4 | 179.9 | 176.7 | -179.3 | 0 | 110.8 | N216 C219 | K188-N216 WeakPolarHBondContact CA-OD1 3.44Å; K188-N216 WeakPolarHBondContact CB-OD1 3.22Å; K188-N216 PolarHBondContact O-OD1 3.47Å; K188-C219 WeakPolarHBondContact O-CB 3.28Å |
| 189 | K | 96.2 | Very high | 94.5 | Very high | 101 Ų | 101 | 63.4 Ų | 63.4 | 44% | 0.439 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94 | -3.5 | 178.5 | -62.7 | -170.9 | -175.2 | -164.3 | 0 | 113.4 | K187 H212 L213 N214 N216 | K187-K189 PolarHBondContact O-N 2.84Å; K189-H212 CarbonylContact O-C 3.58Å; K189-H212 WeakPolarHBondContact O-CA 3.31Å; K189-L213 WeakPolarHBondContact CB-O 3.5Å; K189-L213 WeakPolarHBondContact CD-O 3.02Å; K189-L213 PolarHBondContact O-N 2.8Å; K189-N214 WeakPolarHBondContact CE-O 3.42Å; K189-N214 PolarHBondContact NZ-O 3.11Å; K189-N216 WeakPolarHBondContact CG-OD1 3.42Å; K189-N216 PolarHBondContact N-OD1 3.28Å |
| 190 | K | 97.4 | Very high | 94.2 | Very high | 88 Ų | 88 | 68.9 Ų | 68.9 | 38% | 0.383 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 121.9 | -175.8 | 176.9 | 174 | 167 | 167.5 | 0 | 110.4 | F186 K187 T192 V210 F211 | F186-K190 CarbonylContact C-O 3.52Å; F186-K190 VanDerWaalsContact CA-O 3.27Å; F186-K190 WeakPolarHBondContact CA-O 3.18Å; K187-K190 PolarHBondContact N-O 2.94Å; K187-K190 WeakPolarHBondContact O-CB 3.44Å; K187-K190 PolarHBondContact O-N 3.22Å; K190-T192 WeakPolarHBondContact CE-OG1 3.46Å; K190-V210 HydrophobicContact CD-CG1 3.87Å; K190-V210 VanDerWaalsContact CE-CG1 3.41Å; K190-V210 HydrophobicContact CG-CG1 3.83Å; K190-F211 CarbonylContact C-O 3.57Å; K190-F211 WeakPolarHBondContact CA-O 3.45Å |
| 191 | L | 97.7 | Very high | 93.9 | Very high | 5 Ų | 5 | 71.8 Ų | 71.8 | 3% | 0.026 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 137.8 | 167.7 | -170.3 | 76.3 | 0 | 0 | 0 | 108.5 | L157 L184 F186 V210 F211 L213 L222 W223 | L157-L191 HydrophobicContact CD1-CD2 4.29Å; L184-L191 HydrophobicContact CD1-CD1 3.98Å; L184-L191 HydrophobicContact CD1-CD2 4.25Å; L184-L191 HydrophobicContact CD1-CG 4.07Å; F186-L191 HydrophobicContact CB-CD1 4.04Å; L191-V210 WeakPolarHBondContact O-CA 3.42Å; L191-F211 HydrophobicContact CB-CB 4.36Å; L191-F211 PolarHBondContact N-O 2.96Å; L191-F211 PolarHBondContact O-N 2.96Å; L191-L213 HydrophobicContact CB-CD1 4.12Å; L191-L222 HydrophobicContact CD2-CD2 3.64Å; L191-L222 HydrophobicContact CD2-CG 4.03Å; L191-W223 HydrophobicContact CD1-CB 3.98Å |
| 192 | T | 97.4 | Very high | 93.5 | Very high | 32 Ų | 32 | 73 Ų | 73 | 20% | 0.196 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 122.8 | 177.7 | -55 | 0 | 0 | 0 | 0 | 109 | D185 K190 T208 F209 V210 | D185-T192 PolarHBondContact N-O 3.43Å; D185-T192 PolarHBondContact O-N 3.34Å; K190-T192 WeakPolarHBondContact CE-OG1 3.46Å; T192-T208 HydrophobicContact CG2-CG2 3.57Å; T192-F209 WeakPolarHBondContact CA-O 3.42Å; T192-V210 HydrophobicContact CG2-CG2 4.39Å |
| 193 | L | 96.9 | Very high | 93.2 | Very high | 2 Ų | 2 | 75.8 Ų | 75.8 | 1% | 0.01 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 119.7 | -178.2 | 171.7 | 66 | 0 | 0 | 0 | 108.4 | I164 F176 V181 R183 L184 V195 T208 F209 F211 | I164-L193 HydrophobicContact CD1-CD1 4.18Å; I164-L193 HydrophobicContact CD1-CD2 4.22Å; F176-L193 HydrophobicContact CD2-CD2 3.4Å; F176-L193 VanDerWaalsContact CD2-CD2 3.4Å; F176-L193 HydrophobicContact CE2-CD2 3.68Å; F176-L193 HydrophobicContact CG-CD2 4.06Å; V181-L193 HydrophobicContact CB-CD1 4.42Å; V181-L193 HydrophobicContact CG1-CD1 3.51Å; V181-L193 HydrophobicContact CG2-CD1 4.07Å; R183-L193 WeakPolarHBondContact O-CA 3.17Å; L184-L193 HydrophobicContact CD1-CB 4.21Å; L184-L193 HydrophobicContact CD1-CD1 4.07Å; L193-V195 HydrophobicContact CD1-CG2 4.12Å; L193-V195 HydrophobicContact CD2-CG2 4.21Å; L193-V195 HydrophobicContact CG-CG2 3.86Å; L193-T208 CarbonylContact O-C 3.56Å; L193-T208 WeakPolarHBondContact O-CA 3.31Å; L193-F209 HydrophobicContact CB-CB 4.4Å; L193-F209 PolarHBondContact N-O 3.45Å; L193-F209 PolarHBondContact O-N 2.9Å; L193-F211 HydrophobicContact CD2-CE2 4.45Å |
| 194 | S | 96.7 | Very high | 92.9 | Very high | 8 Ų | 8 | 75.5 Ų | 75.5 | 6% | 0.056 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 131.6 | 174.4 | -55 | 0 | 0 | 0 | 0 | 109.6 | T182 R183 E206 H207 T208 | T182-S194 PolarHBondContact N-O 3.37Å; T182-S194 WeakPolarHBondContact OG1-CB 3.28Å; T182-S194 PolarHBondContact OG1-O 3.11Å; R183-S194 PolarHBondContact N-O 3.01Å; R183-S194 PolarHBondContact O-N 2.96Å; S194-E206 VanDerWaalsContact CB-OE1 3.26Å; S194-E206 WeakPolarHBondContact CB-OE1 3.48Å; S194-H207 CarbonylContact C-O 3.56Å; S194-H207 VanDerWaalsContact CA-O 3.32Å; S194-H207 WeakPolarHBondContact CA-O 3.42Å; S194-T208 PolarHBondContact OG-OG1 3.42Å; S194-T208 VanDerWaalsContact OG-OG1 3.12Å |
| 195 | V | 96 | Very high | 92.7 | Very high | 1 Ų | 1 | 79.1 Ų | 79.1 | 1% | 0.006 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 136 | -174.5 | -174 | 0 | 0 | 0 | 0 | 108.6 | F176 K180 V181 L193 E197 E206 H207 F209 | F176-V195 HydrophobicContact CB-CG2 4.18Å; F176-V195 HydrophobicContact CD1-CB 4.29Å; F176-V195 HydrophobicContact CD1-CG1 4.08Å; F176-V195 HydrophobicContact CD1-CG2 3.76Å; F176-V195 HydrophobicContact CE1-CG2 4.28Å; F176-V195 HydrophobicContact CG-CG2 3.97Å; K180-V195 HydrophobicContact CB-CG1 3.85Å; K180-V195 CarbonylContact O-C 3.49Å; K180-V195 VanDerWaalsContact O-CA 3.26Å; K180-V195 WeakPolarHBondContact O-CA 3.5Å; K180-V195 WeakPolarHBondContact O-CG1 3.44Å; V181-V195 HydrophobicContact CG2-CG2 4.26Å; L193-V195 HydrophobicContact CD1-CG2 4.12Å; L193-V195 HydrophobicContact CD2-CG2 4.21Å; L193-V195 HydrophobicContact CG-CG2 3.86Å; V195-E197 HydrophobicContact CG1-CG 4.33Å; V195-E206 CarbonylContact O-C 3.58Å; V195-E206 WeakPolarHBondContact O-CA 3.46Å; V195-H207 PolarHBondContact N-O 2.64Å; V195-H207 PolarHBondContact O-N 2.75Å; V195-F209 HydrophobicContact CB-CE2 4.49Å; V195-F209 HydrophobicContact CG2-CD2 4.41Å; V195-F209 HydrophobicContact CG2-CE2 4.42Å |
| 196 | V | 95.3 | Very high | 92.7 | Very high | 20 Ų | 20 | 81.5 Ų | 81.5 | 12% | 0.121 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 124.5 | 174.3 | 169.7 | 0 | 0 | 0 | 0 | 109.7 | K180 T182 E204 Q205 E206 | K180-V196 WeakPolarHBondContact CB-O 3.41Å; K180-V196 VanDerWaalsContact CD-O 3.29Å; K180-V196 WeakPolarHBondContact CD-O 3.47Å; K180-V196 PolarHBondContact O-N 3.43Å; T182-V196 HydrophobicContact CG2-CB 4.24Å; T182-V196 HydrophobicContact CG2-CG2 3.4Å; V196-E204 HydrophobicContact CG1-CB 3.57Å; V196-E204 HydrophobicContact CG1-CG 3.82Å; V196-Q205 WeakPolarHBondContact CA-O 3.39Å; V196-E206 HydrophobicContact CG2-CB 4.15Å; V196-E206 HydrophobicContact CG2-CG 4.29Å |
| 197 | E | 90 | Very high | 92.7 | Very high | 87 Ų | 87 | 82.7 Ų | 82.7 | 41% | 0.407 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 148.5 | 173.6 | -64.3 | -174.2 | 177.8 | 0 | 0 | 109.2 | V195 E204 Q205 | V195-E197 HydrophobicContact CG1-CG 4.33Å; E197-E204 CarbonylContact O-C 3.59Å; E197-E204 WeakPolarHBondContact O-CA 3.32Å; E197-Q205 PolarHBondContact N-O 3.48Å; E197-Q205 PolarHBondContact O-N 3.27Å |
| 198 | S | 88.1 | Confident | 92.7 | Very high | 67 Ų | 67 | 78.8 Ų | 78.8 | 47% | 0.469 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 128.2 | 175 | -61.3 | 0 | 0 | 0 | 0 | 108.2 | Q203 | S198-Q203 CarbonylContact C-O 3.54Å; S198-Q203 WeakPolarHBondContact CA-O 3.17Å |
| 199 | D | 85.9 | Confident | 92.7 | Very high | 56 Ų | 56 | 74.3 Ų | 74.3 | 30% | 0.299 | 38% | 0.381 | S | S | . | . | trans | -68.9 | 179.3 | 173.3 | 75.5 | 0.8 | 0 | 0 | 0 | 111.6 | N201 G202 Q203 | D199-N201 PolarHBondContact O-N 2.83Å; D199-N201 VanDerWaalsContact O-N 3.11Å; D199-N201 VanDerWaalsContact OD1-C 3.31Å; D199-N201 VanDerWaalsContact OD1-CA 3.31Å; D199-N201 WeakPolarHBondContact OD1-CA 3.48Å; D199-N201 WeakPolarHBondContact OD1-CB 3.46Å; D199-N201 PolarHBondContact OD1-N 3.24Å; D199-G202 PolarHBondContact O-N 2.84Å; D199-G202 PolarHBondContact OD1-N 3.33Å; D199-Q203 PolarHBondContact N-O 3.37Å; D199-Q203 PolarHBondContact OD1-N 3.24Å | ||
| 200 | E | 87.1 | Confident | 92.8 | Very high | 200 Ų | 200 | 71.1 Ų | 71.1 | 94% | 0.935 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59 | -22.7 | 178.6 | -60.8 | -178.1 | 168.3 | 0 | 0 | 113.2 | ||
| 201 | N | 88.1 | Confident | 92.8 | Very high | 133 Ų | 133 | 67.6 Ų | 67.6 | 71% | 0.711 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.3 | 0.1 | 177.6 | -55.1 | -58.9 | 0 | 0 | 0 | 112.9 | D199 Q203 | D199-N201 PolarHBondContact O-N 2.83Å; D199-N201 VanDerWaalsContact O-N 3.11Å; D199-N201 VanDerWaalsContact OD1-C 3.31Å; D199-N201 VanDerWaalsContact OD1-CA 3.31Å; D199-N201 WeakPolarHBondContact OD1-CA 3.48Å; D199-N201 WeakPolarHBondContact OD1-CB 3.46Å; D199-N201 PolarHBondContact OD1-N 3.24Å; N201-Q203 VanDerWaalsContact C-N 3.32Å |
| 202 | G | 86.4 | Confident | 92.7 | Very high | 51 Ų | 51 | 71 Ų | 71 | 53% | 0.526 | 37% | 0.37 | S | S | . | . | S | Bend | trans | 79.9 | 6.2 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | D199 | D199-G202 PolarHBondContact O-N 2.84Å; D199-G202 PolarHBondContact OD1-N 3.33Å |
| 203 | Q | 87.4 | Confident | 92.7 | Very high | 136 Ų | 136 | 70.1 Ų | 70.1 | 64% | 0.636 | 36% | 0.364 | S | S | * | . | trans | -76.5 | 133.1 | 175 | -61.1 | -167.5 | 4.6 | 0 | 0 | 110.6 | S198 D199 N201 Q205 | S198-Q203 CarbonylContact C-O 3.54Å; S198-Q203 WeakPolarHBondContact CA-O 3.17Å; D199-Q203 PolarHBondContact N-O 3.37Å; D199-Q203 PolarHBondContact OD1-N 3.24Å; N201-Q203 VanDerWaalsContact C-N 3.32Å; Q203-Q205 PolarHBondContact O-N 2.82Å | ||
| 204 | E | 89.9 | Confident | 92.4 | Very high | 139 Ų | 139 | 75.7 Ų | 75.7 | 65% | 0.65 | 39% | 0.394 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 118.9 | 177.9 | -71.9 | -160.3 | 145.7 | 0 | 0 | 111.1 | K180 V196 E197 | K180-E204 IonicContact NZ-OE1 3.29Å; K180-E204 PolarHBondContact NZ-OE1 3.47Å; V196-E204 HydrophobicContact CG1-CB 3.57Å; V196-E204 HydrophobicContact CG1-CG 3.82Å; E197-E204 CarbonylContact O-C 3.59Å; E197-E204 WeakPolarHBondContact O-CA 3.32Å |
| 205 | Q | 92.1 | Very high | 92.3 | Very high | 109 Ų | 109 | 77.3 Ų | 77.3 | 51% | 0.509 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 131.3 | 176.6 | -159.6 | 174.1 | 70 | 0 | 0 | 110 | V196 E197 Q203 H207 | V196-Q205 WeakPolarHBondContact CA-O 3.39Å; E197-Q205 PolarHBondContact N-O 3.48Å; E197-Q205 PolarHBondContact O-N 3.27Å; Q203-Q205 PolarHBondContact O-N 2.82Å; Q205-H207 PolarHBondContact OE1-CE1 2.98Å; Q205-H207 PolarHBondContact OE1-NE2 3.44Å |
| 206 | E | 93.8 | Very high | 92.1 | Very high | 113 Ų | 113 | 81.5 Ų | 81.5 | 53% | 0.528 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 114.5 | 178.4 | -172.5 | 173.3 | -149.2 | 0 | 0 | 111.1 | T182 S194 V195 V196 | T182-E206 PolarHBondContact OG1-OE1 3.4Å; S194-E206 VanDerWaalsContact CB-OE1 3.26Å; S194-E206 WeakPolarHBondContact CB-OE1 3.48Å; V195-E206 CarbonylContact O-C 3.58Å; V195-E206 WeakPolarHBondContact O-CA 3.46Å; V196-E206 HydrophobicContact CG2-CB 4.15Å; V196-E206 HydrophobicContact CG2-CG 4.29Å |
| 207 | H | 94 | Very high | 91.9 | Very high | 63 Ų | 63 | 85.1 Ų | 85.1 | 29% | 0.292 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 133.2 | 173 | -64.4 | -84 | 0 | 0 | 0 | 110.6 | S194 V195 Q205 F209 | S194-H207 CarbonylContact C-O 3.56Å; S194-H207 VanDerWaalsContact CA-O 3.32Å; S194-H207 WeakPolarHBondContact CA-O 3.42Å; V195-H207 PolarHBondContact N-O 2.64Å; V195-H207 PolarHBondContact O-N 2.75Å; Q205-H207 PolarHBondContact OE1-CE1 2.98Å; Q205-H207 PolarHBondContact OE1-NE2 3.44Å; H207-F209 HydrophobicContact CB-CE2 3.75Å; H207-F209 HydrophobicContact CB-CZ 4.07Å |
| 208 | T | 95.7 | Very high | 92 | Very high | 82 Ų | 82 | 81.8 Ų | 81.8 | 50% | 0.503 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 116.2 | 178 | -65.1 | 0 | 0 | 0 | 0 | 111.4 | T192 L193 S194 | T192-T208 HydrophobicContact CG2-CG2 3.57Å; L193-T208 CarbonylContact O-C 3.56Å; L193-T208 WeakPolarHBondContact O-CA 3.31Å; S194-T208 PolarHBondContact OG-OG1 3.42Å; S194-T208 VanDerWaalsContact OG-OG1 3.12Å |
| 209 | F | 95.5 | Very high | 92.4 | Very high | 68 Ų | 68 | 78.6 Ų | 78.6 | 30% | 0.298 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 137.7 | 176.4 | -57.7 | -88 | 0 | 0 | 0 | 110.6 | F176 T192 L193 V195 H207 F211 | F176-F209 HydrophobicContact CD1-CE2 4.4Å; F176-F209 AromaticContact CE1-CD2 3.99Å; F176-F209 HydrophobicContact CE1-CD2 3.99Å; F176-F209 HydrophobicContact CE1-CE1 4.36Å; F176-F209 AromaticContact CE1-CE2 3.4Å; F176-F209 HydrophobicContact CE1-CE2 3.4Å; F176-F209 VanDerWaalsContact CE1-CE2 3.4Å; F176-F209 AromaticContact CE1-CZ 3.63Å; F176-F209 HydrophobicContact CE1-CZ 3.63Å; F176-F209 HydrophobicContact CE2-CD2 4.35Å; F176-F209 HydrophobicContact CZ-CD1 4.06Å; F176-F209 AromaticContact CZ-CD2 3.67Å; F176-F209 HydrophobicContact CZ-CD2 3.67Å; F176-F209 AromaticContact CZ-CE1 3.88Å; F176-F209 HydrophobicContact CZ-CE1 3.88Å; F176-F209 AromaticContact CZ-CE2 3.48Å; F176-F209 HydrophobicContact CZ-CE2 3.48Å; F176-F209 VanDerWaalsContact CZ-CE2 3.48Å; F176-F209 AromaticContact CZ-CG 3.96Å; F176-F209 HydrophobicContact CZ-CG 3.96Å; F176-F209 AromaticContact CZ-CZ 3.59Å; F176-F209 HydrophobicContact CZ-CZ 3.59Å; T192-F209 WeakPolarHBondContact CA-O 3.42Å; L193-F209 HydrophobicContact CB-CB 4.4Å; L193-F209 PolarHBondContact N-O 3.45Å; L193-F209 PolarHBondContact O-N 2.9Å; V195-F209 HydrophobicContact CB-CE2 4.49Å; V195-F209 HydrophobicContact CG2-CD2 4.41Å; V195-F209 HydrophobicContact CG2-CE2 4.42Å; H207-F209 HydrophobicContact CB-CE2 3.75Å; H207-F209 HydrophobicContact CB-CZ 4.07Å; F209-F211 HydrophobicContact CB-CE2 3.72Å; F209-F211 HydrophobicContact CB-CZ 4Å |
| 210 | V | 96.5 | Very high | 92.8 | Very high | 34 Ų | 34 | 79.6 Ų | 79.6 | 21% | 0.206 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 124.3 | -178.9 | 172.3 | 0 | 0 | 0 | 0 | 109.4 | K190 L191 T192 | K190-V210 HydrophobicContact CD-CG1 3.87Å; K190-V210 VanDerWaalsContact CE-CG1 3.41Å; K190-V210 HydrophobicContact CG-CG1 3.83Å; L191-V210 WeakPolarHBondContact O-CA 3.42Å; T192-V210 HydrophobicContact CG2-CG2 4.39Å |
| 211 | F | 97.5 | Very high | 93 | Very high | 13 Ų | 13 | 71.2 Ų | 71.2 | 6% | 0.057 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 146.2 | 178.8 | -56.9 | -77.7 | 0 | 0 | 0 | 111.1 | V147 L148 L157 K190 L191 L193 F209 | V147-F211 HydrophobicContact CB-CB 4.02Å; V147-F211 HydrophobicContact CB-CD1 4.41Å; V147-F211 HydrophobicContact CB-CG 4.49Å; V147-F211 HydrophobicContact CG1-CB 4.49Å; V147-F211 HydrophobicContact CG2-CB 3.99Å; V147-F211 HydrophobicContact CG2-CD1 3.48Å; V147-F211 VanDerWaalsContact CG2-CD1 3.48Å; V147-F211 HydrophobicContact CG2-CE1 4.19Å; V147-F211 HydrophobicContact CG2-CG 3.92Å; L148-F211 CarbonylContact O-C 3.58Å; L148-F211 VanDerWaalsContact O-CA 3.3Å; L148-F211 WeakPolarHBondContact O-CA 3.37Å; L157-F211 HydrophobicContact CD1-CD2 3.93Å; L157-F211 HydrophobicContact CD1-CE2 4.07Å; L157-F211 HydrophobicContact CD1-CG 4.17Å; L157-F211 HydrophobicContact CD1-CZ 4.42Å; L157-F211 HydrophobicContact CD2-CE1 4.26Å; L157-F211 HydrophobicContact CD2-CE2 4.38Å; L157-F211 HydrophobicContact CD2-CZ 4.03Å; K190-F211 CarbonylContact C-O 3.57Å; K190-F211 WeakPolarHBondContact CA-O 3.45Å; L191-F211 HydrophobicContact CB-CB 4.36Å; L191-F211 PolarHBondContact N-O 2.96Å; L191-F211 PolarHBondContact O-N 2.96Å; L193-F211 HydrophobicContact CD2-CE2 4.45Å; F209-F211 HydrophobicContact CB-CE2 3.72Å; F209-F211 HydrophobicContact CB-CZ 4Å |
| 212 | H | 97.5 | Very high | 93.4 | Very high | 78 Ų | 78 | 65 Ų | 65 | 36% | 0.361 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 135.5 | 175.4 | -63.9 | 90.7 | 0 | 0 | 0 | 110.7 | L148 K189 | L148-H212 HydrophobicContact CB-CB 4.29Å; L148-H212 PolarHBondContact N-O 3.38Å; L148-H212 PolarHBondContact O-N 3.11Å; K189-H212 CarbonylContact O-C 3.58Å; K189-H212 WeakPolarHBondContact O-CA 3.31Å |
| 213 | L | 95.4 | Very high | 93.9 | Very high | 12 Ų | 12 | 63.8 Ų | 63.8 | 6% | 0.063 | 32% | 0.316 | C | S | . | . | trans | -110.9 | 161.2 | 176.4 | -70.6 | 92.6 | 0 | 0 | 0 | 111.1 | V147 K189 L191 S215 A218 C219 L222 | V147-L213 HydrophobicContact CB-CG 4.47Å; V147-L213 HydrophobicContact CG1-CD1 4.02Å; V147-L213 HydrophobicContact CG1-CD2 4.06Å; V147-L213 HydrophobicContact CG1-CG 3.87Å; K189-L213 WeakPolarHBondContact CB-O 3.5Å; K189-L213 WeakPolarHBondContact CD-O 3.02Å; K189-L213 PolarHBondContact O-N 2.8Å; L191-L213 HydrophobicContact CB-CD1 4.12Å; L213-S215 PolarHBondContact O-N 2.83Å; L213-S215 VanDerWaalsContact O-N 3.14Å; L213-A218 HydrophobicContact CB-CB 4.26Å; L213-A218 HydrophobicContact CD2-CB 4.01Å; L213-C219 HydrophobicContact CB-CB 4.11Å; L213-C219 HydrophobicContact CD1-CB 3.98Å; L213-C219 HydrophobicContact CG-CB 4.45Å; L213-L222 HydrophobicContact CD1-CD2 4.28Å; L213-L222 HydrophobicContact CD2-CB 4.2Å; L213-L222 HydrophobicContact CD2-CD2 3.94Å | ||
| 214 | N | 92.3 | Very high | 94.2 | Very high | 120 Ų | 120 | 58.9 Ų | 58.9 | 64% | 0.642 | 29% | 0.292 | S | S | * | . | S | Bend | trans | -58.9 | -28.5 | -178.6 | 62.9 | 16.7 | 0 | 0 | 0 | 113.8 | K189 A218 | K189-N214 WeakPolarHBondContact CE-O 3.42Å; K189-N214 PolarHBondContact NZ-O 3.11Å; N214-A218 WeakPolarHBondContact OD1-CB 3.49Å |
| 215 | S | 93.1 | Very high | 94.4 | Very high | 41 Ų | 41 | 52.3 Ų | 52.3 | 29% | 0.287 | 26% | 0.261 | S | S | . | . | S | Bend | trans | -150.5 | 156.8 | -172.9 | 69.8 | 0 | 0 | 0 | 0 | 113 | L213 K217 A218 C219 | L213-S215 PolarHBondContact O-N 2.83Å; L213-S215 VanDerWaalsContact O-N 3.14Å; S215-K217 PolarHBondContact O-N 3.07Å; S215-A218 PolarHBondContact O-N 3.18Å; S215-A218 VanDerWaalsContact OG-CB 3.29Å; S215-A218 WeakPolarHBondContact OG-CB 3.07Å; S215-A218 PolarHBondContact OG-N 2.99Å; S215-C219 PolarHBondContact O-N 2.72Å |
| 216 | N | 93.7 | Very high | 94.6 | Very high | 89 Ų | 89 | 47.2 Ų | 47.2 | 48% | 0.476 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -60.6 | -31.3 | 173.5 | -62.1 | -33.5 | 0 | 0 | 0 | 111.6 | K188 K189 K220 | K188-N216 WeakPolarHBondContact CA-OD1 3.44Å; K188-N216 WeakPolarHBondContact CB-OD1 3.22Å; K188-N216 PolarHBondContact O-OD1 3.47Å; K189-N216 WeakPolarHBondContact CG-OD1 3.42Å; K189-N216 PolarHBondContact N-OD1 3.28Å; N216-K220 VanDerWaalsContact O-CB 3.3Å; N216-K220 WeakPolarHBondContact O-CB 3.46Å; N216-K220 PolarHBondContact O-N 2.98Å; N216-K220 VanDerWaalsContact O-N 3.1Å |
| 217 | K | 90.7 | Very high | 94.7 | Very high | 96 Ų | 96 | 43.7 Ų | 43.7 | 42% | 0.417 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -69.9 | -47.2 | 179.2 | -170 | -175.1 | 177.9 | -163.5 | 0 | 110.6 | D32 H38 S215 K220 H221 | D32-K217 IonicContact OD2-NZ 3.11Å; D32-K217 PolarHBondContact OD2-NZ 3.16Å; H38-K217 WeakPolarHBondContact CE1-CE 3.31Å; H38-K217 PolarHBondContact NE2-NZ 2.97Å; H38-K217 VanDerWaalsContact NE2-NZ 3.19Å; S215-K217 PolarHBondContact O-N 3.07Å; K217-K220 PolarHBondContact O-N 2.7Å; K217-H221 VanDerWaalsContact O-CB 3.29Å; K217-H221 WeakPolarHBondContact O-CB 3.29Å; K217-H221 PolarHBondContact O-N 3.11Å |
| 218 | A | 92.5 | Very high | 94.7 | Very high | 17 Ų | 17 | 41.6 Ų | 41.6 | 14% | 0.14 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -61.9 | -46.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | L213 N214 S215 K220 H221 L222 | L213-A218 HydrophobicContact CB-CB 4.26Å; L213-A218 HydrophobicContact CD2-CB 4.01Å; N214-A218 WeakPolarHBondContact OD1-CB 3.49Å; S215-A218 PolarHBondContact O-N 3.18Å; S215-A218 VanDerWaalsContact OG-CB 3.29Å; S215-A218 WeakPolarHBondContact OG-CB 3.07Å; S215-A218 PolarHBondContact OG-N 2.99Å; A218-K220 PolarHBondContact O-N 3.28Å; A218-H221 WeakPolarHBondContact O-CB 3.35Å; A218-H221 PolarHBondContact O-N 3.05Å; A218-L222 PolarHBondContact O-N 3.24Å |
| 219 | C | 95.1 | Very high | 94.6 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -58.6 | -46.4 | 178 | -171.9 | 0 | 0 | 0 | 0 | 112.2 | K188 L213 S215 H221 W223 | K188-C219 WeakPolarHBondContact O-CB 3.28Å; L213-C219 HydrophobicContact CB-CB 4.11Å; L213-C219 HydrophobicContact CD1-CB 3.98Å; L213-C219 HydrophobicContact CG-CB 4.45Å; S215-C219 PolarHBondContact O-N 2.72Å; C219-H221 VanDerWaalsContact C-N 3.32Å; C219-H221 PolarHBondContact O-N 2.78Å; C219-W223 WeakPolarHBondContact O-CB 3.31Å; C219-W223 PolarHBondContact O-N 2.62Å |
| 220 | K | 93.8 | Very high | 94.6 | Very high | 77 Ų | 77 | 37.5 Ų | 37.5 | 34% | 0.335 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -65.5 | -34.4 | 174.9 | -175.9 | 172.7 | -175.4 | 170.6 | 0 | 112.8 | F186 N216 K217 A218 K224 | F186-K220 HydrophobicContact CD2-CB 4.38Å; F186-K220 HydrophobicContact CE1-CG 4.46Å; F186-K220 HydrophobicContact CE2-CB 3.78Å; F186-K220 HydrophobicContact CE2-CD 4.34Å; F186-K220 HydrophobicContact CE2-CG 4.03Å; F186-K220 HydrophobicContact CZ-CB 4.03Å; F186-K220 HydrophobicContact CZ-CD 4.07Å; F186-K220 HydrophobicContact CZ-CG 3.75Å; N216-K220 VanDerWaalsContact O-CB 3.3Å; N216-K220 WeakPolarHBondContact O-CB 3.46Å; N216-K220 PolarHBondContact O-N 2.98Å; N216-K220 VanDerWaalsContact O-N 3.1Å; K217-K220 PolarHBondContact O-N 2.7Å; A218-K220 PolarHBondContact O-N 3.28Å; K220-K224 WeakPolarHBondContact O-CB 3.38Å; K220-K224 VanDerWaalsContact O-CG 3.28Å; K220-K224 WeakPolarHBondContact O-CG 3.34Å; K220-K224 PolarHBondContact O-N 3.45Å |
| 221 | H | 92.8 | Very high | 94.4 | Very high | 25 Ų | 25 | 36 Ų | 36 | 12% | 0.116 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -65.9 | -53.2 | 178.1 | 175.1 | 58.2 | 0 | 0 | 0 | 110.9 | W39 H145 K217 A218 C219 W223 K224 C225 | W39-H221 AromaticContact CD1-CE1 3.93Å; H145-H221 AromaticContact CE1-CD2 3.61Å; H145-H221 AromaticContact CE1-NE2 3.6Å; H145-H221 AromaticContact ND1-CD2 3.97Å; K217-H221 VanDerWaalsContact O-CB 3.29Å; K217-H221 WeakPolarHBondContact O-CB 3.29Å; K217-H221 PolarHBondContact O-N 3.11Å; A218-H221 WeakPolarHBondContact O-CB 3.35Å; A218-H221 PolarHBondContact O-N 3.05Å; C219-H221 VanDerWaalsContact C-N 3.32Å; C219-H221 PolarHBondContact O-N 2.78Å; H221-W223 VanDerWaalsContact C-N 3.34Å; H221-W223 PolarHBondContact O-N 3.49Å; H221-K224 WeakPolarHBondContact O-CB 3.19Å; H221-K224 PolarHBondContact O-N 3.04Å; H221-K224 VanDerWaalsContact O-N 3.08Å; H221-C225 PolarHBondContact CE1-SG 2.92Å; H221-C225 PolarHBondContact O-N 2.99Å; H221-C225 PolarHBondContact O-SG 3.48Å; H221-C225 VanDerWaalsContact O-SG 3.4Å |
| 222 | L | 95.5 | Very high | 94.3 | Very high | 3 Ų | 3 | 35.4 Ų | 35.4 | 2% | 0.016 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -55 | -48.8 | 174.1 | 170.2 | 52.2 | 0 | 0 | 0 | 111.6 | H145 V147 L157 L159 L191 L213 A218 K224 C225 A226 | H145-L222 HydrophobicContact CB-CB 4.48Å; H145-L222 HydrophobicContact CB-CD1 3.87Å; H145-L222 HydrophobicContact CB-CD2 3.97Å; H145-L222 HydrophobicContact CB-CG 4.32Å; V147-L222 HydrophobicContact CG1-CD2 3.77Å; L157-L222 HydrophobicContact CD1-CD2 4.12Å; L159-L222 HydrophobicContact CD1-CD1 4.29Å; L159-L222 HydrophobicContact CD2-CD1 4.31Å; L159-L222 HydrophobicContact CG-CD1 4.48Å; L191-L222 HydrophobicContact CD2-CD2 3.64Å; L191-L222 HydrophobicContact CD2-CG 4.03Å; L213-L222 HydrophobicContact CD1-CD2 4.28Å; L213-L222 HydrophobicContact CD2-CB 4.2Å; L213-L222 HydrophobicContact CD2-CD2 3.94Å; A218-L222 PolarHBondContact O-N 3.24Å; L222-K224 VanDerWaalsContact C-N 3.28Å; L222-K224 PolarHBondContact O-N 3.34Å; L222-C225 PolarHBondContact O-N 2.96Å; L222-C225 VanDerWaalsContact O-N 3.16Å; L222-A226 WeakPolarHBondContact O-CB 3.25Å; L222-A226 PolarHBondContact O-N 2.63Å |
| 223 | W | 96.4 | Very high | 94 | Very high | 25 Ų | 25 | 33 Ų | 33 | 10% | 0.095 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -57.1 | -41.7 | 177.1 | 176.7 | 87.1 | 0 | 0 | 0 | 112.2 | L184 F186 L191 C219 H221 V227 S253 F255 | L184-W223 PolarHBondContact O-NE1 2.68Å; F186-W223 HydrophobicContact CB-CB 4.34Å; F186-W223 HydrophobicContact CB-CG 4.41Å; F186-W223 HydrophobicContact CD1-CB 3.85Å; F186-W223 AromaticContact CD1-CD1 3.72Å; F186-W223 AromaticContact CD1-CD2 3.54Å; F186-W223 HydrophobicContact CD1-CD2 3.54Å; F186-W223 AromaticContact CD1-CE2 3.98Å; F186-W223 HydrophobicContact CD1-CE3 4.07Å; F186-W223 AromaticContact CD1-CG 3.4Å; F186-W223 HydrophobicContact CD1-CG 3.4Å; F186-W223 VanDerWaalsContact CD1-CG 3.4Å; F186-W223 HydrophobicContact CE1-CB 4.48Å; F186-W223 AromaticContact CE1-CD2 3.67Å; F186-W223 HydrophobicContact CE1-CD2 3.67Å; F186-W223 AromaticContact CE1-CE3 3.71Å; F186-W223 HydrophobicContact CE1-CE3 3.71Å; F186-W223 HydrophobicContact CE1-CG 4.01Å; F186-W223 HydrophobicContact CE1-CZ3 4.26Å; F186-W223 HydrophobicContact CG-CB 4.22Å; F186-W223 HydrophobicContact CG-CG 4.19Å; L191-W223 HydrophobicContact CD1-CB 3.98Å; C219-W223 WeakPolarHBondContact O-CB 3.31Å; C219-W223 PolarHBondContact O-N 2.62Å; H221-W223 VanDerWaalsContact C-N 3.34Å; H221-W223 PolarHBondContact O-N 3.49Å; W223-V227 HydrophobicContact CD2-CG2 4.17Å; W223-V227 HydrophobicContact CH2-CG2 4.32Å; W223-V227 HydrophobicContact CZ2-CG2 3.87Å; W223-V227 WeakPolarHBondContact O-CB 3.49Å; W223-V227 VanDerWaalsContact O-CG2 3.29Å; W223-V227 WeakPolarHBondContact O-CG2 3.42Å; W223-V227 PolarHBondContact O-N 3.16Å; W223-S253 VanDerWaalsContact CZ3-OG 3.31Å; W223-S253 WeakPolarHBondContact CZ3-OG 3.44Å; W223-F255 HydrophobicContact CH2-CD1 4.25Å; W223-F255 HydrophobicContact CZ3-CB 3.98Å; W223-F255 AromaticContact CZ3-CD1 3.72Å; W223-F255 HydrophobicContact CZ3-CD1 3.72Å; W223-F255 HydrophobicContact CZ3-CG 4.26Å |
| 224 | K | 94.6 | Very high | 93.8 | Very high | 33 Ų | 33 | 39.4 Ų | 39.4 | 14% | 0.143 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -62.9 | -51.5 | 174.7 | -79.7 | 175 | 149.2 | -130.6 | 0 | 111 | D41 K220 H221 L222 A226 V227 E228 F255 | D41-K224 IonicContact OD2-NZ 3.89Å; D41-K224 PolarHBondContact OD2-NZ 3Å; K220-K224 WeakPolarHBondContact O-CB 3.38Å; K220-K224 VanDerWaalsContact O-CG 3.28Å; K220-K224 WeakPolarHBondContact O-CG 3.34Å; K220-K224 PolarHBondContact O-N 3.45Å; H221-K224 WeakPolarHBondContact O-CB 3.19Å; H221-K224 PolarHBondContact O-N 3.04Å; H221-K224 VanDerWaalsContact O-N 3.08Å; L222-K224 VanDerWaalsContact C-N 3.28Å; L222-K224 PolarHBondContact O-N 3.34Å; K224-A226 VanDerWaalsContact C-N 3.27Å; K224-A226 PolarHBondContact O-N 3.38Å; K224-V227 PolarHBondContact O-N 3.48Å; K224-E228 WeakPolarHBondContact O-CB 3.45Å; K224-E228 VanDerWaalsContact O-CG 3.23Å; K224-E228 WeakPolarHBondContact O-CG 3.38Å; K224-E228 PolarHBondContact O-N 3.17Å; K224-F255 HydrophobicContact CB-CD1 4.35Å; K224-F255 HydrophobicContact CB-CE1 4.13Å; K224-F255 HydrophobicContact CB-CZ 4.4Å; K224-F255 HydrophobicContact CD-CD2 4.2Å; K224-F255 HydrophobicContact CD-CE2 4.45Å; K224-F255 HydrophobicContact CD-CG 4.27Å; K224-F255 HydrophobicContact CG-CB 4.44Å; K224-F255 HydrophobicContact CG-CD1 3.72Å; K224-F255 HydrophobicContact CG-CD2 4.18Å; K224-F255 HydrophobicContact CG-CE1 3.97Å; K224-F255 HydrophobicContact CG-CE2 4.4Å; K224-F255 HydrophobicContact CG-CG 3.83Å; K224-F255 HydrophobicContact CG-CZ 4.31Å; K224-F255 VanDerWaalsContact NZ-CD2 3.34Å |
| 225 | C | 95.1 | Very high | 93.7 | Very high | 1 Ų | 1 | 36.2 Ų | 36.2 | 1% | 0.007 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -56.7 | -43.7 | -179.3 | -66.9 | 0 | 0 | 0 | 0 | 111 | L159 H221 L222 E228 H229 | L159-C225 VanDerWaalsContact CD1-C 3.45Å; L159-C225 HydrophobicContact CD1-CB 3.42Å; L159-C225 VanDerWaalsContact CD1-CB 3.42Å; H221-C225 PolarHBondContact CE1-SG 2.92Å; H221-C225 PolarHBondContact O-N 2.99Å; H221-C225 PolarHBondContact O-SG 3.48Å; H221-C225 VanDerWaalsContact O-SG 3.4Å; L222-C225 PolarHBondContact O-N 2.96Å; L222-C225 VanDerWaalsContact O-N 3.16Å; C225-E228 PolarHBondContact O-N 3.35Å; C225-H229 PolarHBondContact O-N 3.24Å; C225-H229 PolarHBondContact O-ND1 3.23Å |
| 226 | A | 96.5 | Very high | 93.3 | Very high | 2 Ų | 2 | 43.1 Ų | 43.1 | 2% | 0.017 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -65.2 | -44.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | L159 W178 L184 L222 K224 E228 H229 H230 | L159-A226 HydrophobicContact CD1-CB 4.14Å; L159-A226 HydrophobicContact CD2-CB 3.79Å; W178-A226 HydrophobicContact CH2-CB 4.21Å; L184-A226 HydrophobicContact CD2-CB 3.32Å; L222-A226 WeakPolarHBondContact O-CB 3.25Å; L222-A226 PolarHBondContact O-N 2.63Å; K224-A226 VanDerWaalsContact C-N 3.27Å; K224-A226 PolarHBondContact O-N 3.38Å; A226-E228 VanDerWaalsContact C-N 3.29Å; A226-E228 PolarHBondContact O-N 3.15Å; A226-H229 PolarHBondContact O-N 3.17Å; A226-H230 WeakPolarHBondContact O-CB 3.48Å; A226-H230 PolarHBondContact O-N 3.06Å |
| 227 | V | 94.2 | Very high | 92.9 | Very high | 39 Ų | 39 | 42.6 Ų | 42.6 | 24% | 0.236 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -61.6 | -38.9 | 174.6 | 168.4 | 0 | 0 | 0 | 0 | 111.4 | W223 K224 A231 F255 | W223-V227 HydrophobicContact CD2-CG2 4.17Å; W223-V227 HydrophobicContact CH2-CG2 4.32Å; W223-V227 HydrophobicContact CZ2-CG2 3.87Å; W223-V227 WeakPolarHBondContact O-CB 3.49Å; W223-V227 VanDerWaalsContact O-CG2 3.29Å; W223-V227 WeakPolarHBondContact O-CG2 3.42Å; W223-V227 PolarHBondContact O-N 3.16Å; K224-V227 PolarHBondContact O-N 3.48Å; V227-A231 VanDerWaalsContact O-CB 3.22Å; V227-A231 WeakPolarHBondContact O-CB 3.47Å; V227-A231 PolarHBondContact O-N 3.11Å; V227-F255 HydrophobicContact CG1-CE1 4.28Å |
| 228 | E | 94.3 | Very high | 92.4 | Very high | 18 Ų | 18 | 39.4 Ų | 39.4 | 8% | 0.084 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -67.3 | -45.2 | 177 | -69.8 | -177 | 136.5 | 0 | 0 | 112.2 | K63 F64 K224 C225 A226 A231 F232 F255 Y257 | K63-E228 WeakPolarHBondContact CE-OE2 3.2Å; K63-E228 IonicContact NZ-OE1 2.81Å; K63-E228 PolarHBondContact NZ-OE1 2.89Å; K63-E228 IonicContact NZ-OE2 3.72Å; K63-E228 PolarHBondContact NZ-OE2 3.29Å; F64-E228 HydrophobicContact CE1-CB 4.24Å; F64-E228 HydrophobicContact CZ-CB 4.04Å; K224-E228 WeakPolarHBondContact O-CB 3.45Å; K224-E228 VanDerWaalsContact O-CG 3.23Å; K224-E228 WeakPolarHBondContact O-CG 3.38Å; K224-E228 PolarHBondContact O-N 3.17Å; C225-E228 PolarHBondContact O-N 3.35Å; A226-E228 VanDerWaalsContact C-N 3.29Å; A226-E228 PolarHBondContact O-N 3.15Å; E228-A231 PolarHBondContact O-N 3.07Å; E228-F232 VanDerWaalsContact O-CB 3.29Å; E228-F232 WeakPolarHBondContact O-CB 3.44Å; E228-F232 PolarHBondContact O-N 3.32Å; E228-F255 HydrophobicContact CG-CE1 3.84Å; E228-F255 HydrophobicContact CG-CZ 3.48Å; E228-F255 VanDerWaalsContact CG-CZ 3.48Å; E228-F255 VanDerWaalsContact OE1-CZ 3.32Å; E228-F255 WeakPolarHBondContact OE1-CZ 2.88Å; E228-Y257 HydrophobicContact CB-CD2 4.23Å; E228-Y257 HydrophobicContact CG-CD2 4.06Å |
| 229 | H | 94.7 | Very high | 91.6 | Very high | 4 Ų | 4 | 41.7 Ų | 41.7 | 2% | 0.019 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -61.5 | -48.5 | 176.1 | -79.6 | 74 | 0 | 0 | 0 | 111.3 | F64 D143 W178 C225 A226 A231 F232 F233 | F64-H229 AromaticContact CE1-ND1 3.97Å; D143-H229 IonicContact OD2-CE1 2.7Å; W178-H229 HydrophobicContact CZ2-CB 4.03Å; C225-H229 PolarHBondContact O-N 3.24Å; C225-H229 PolarHBondContact O-ND1 3.23Å; A226-H229 PolarHBondContact O-N 3.17Å; H229-A231 VanDerWaalsContact C-N 3.34Å; H229-A231 PolarHBondContact O-N 3.39Å; H229-F232 PolarHBondContact O-N 3.38Å; H229-F233 HydrophobicContact CB-CD2 4.41Å; H229-F233 AromaticContact CD2-CE2 3.85Å; H229-F233 VanDerWaalsContact O-CD2 3.3Å; H229-F233 WeakPolarHBondContact O-CD2 3.4Å; H229-F233 PolarHBondContact O-N 3.44Å |
| 230 | H | 94 | Very high | 90.4 | Very high | 61 Ų | 61 | 50 Ų | 50 | 28% | 0.282 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -57.2 | -48.3 | 174.6 | 173.4 | -86.1 | 0 | 0 | 0 | 110.9 | W178 A226 F232 R234 | W178-H230 HydrophobicContact CD2-CB 4.25Å; W178-H230 HydrophobicContact CE3-CB 4.05Å; W178-H230 HydrophobicContact CZ3-CB 4.18Å; A226-H230 WeakPolarHBondContact O-CB 3.48Å; A226-H230 PolarHBondContact O-N 3.06Å; H230-F232 PolarHBondContact O-N 2.61Å; H230-R234 WeakPolarHBondContact O-CA 3.42Å; H230-R234 WeakPolarHBondContact O-CB 3.21Å; H230-R234 PolarHBondContact O-N 2.85Å |
| 231 | A | 93.7 | Very high | 89.2 | Confident | 3 Ų | 3 | 54.1 Ų | 54.1 | 3% | 0.025 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -62.4 | -44.2 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | V227 E228 H229 L235 Y257 T261 | V227-A231 VanDerWaalsContact O-CB 3.22Å; V227-A231 WeakPolarHBondContact O-CB 3.47Å; V227-A231 PolarHBondContact O-N 3.11Å; E228-A231 PolarHBondContact O-N 3.07Å; H229-A231 VanDerWaalsContact C-N 3.34Å; H229-A231 PolarHBondContact O-N 3.39Å; A231-L235 HydrophobicContact CB-CD1 4.05Å; A231-L235 WeakPolarHBondContact O-CB 3.39Å; A231-L235 PolarHBondContact O-N 3.34Å; A231-Y257 HydrophobicContact CB-CD1 3.56Å; A231-Y257 HydrophobicContact CB-CD2 4.28Å; A231-Y257 HydrophobicContact CB-CE1 4.31Å; A231-Y257 HydrophobicContact CB-CG 3.54Å; A231-T261 WeakPolarHBondContact O-CG2 3.09Å |
| 232 | F | 94 | Very high | 87.7 | Confident | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -67.1 | -50.2 | -177 | -175.8 | -104.6 | 0 | 0 | 0 | 112.5 | D24 Y25 F64 E228 H229 H230 Y257 K260 T261 E262 V265 | D24-F232 HydrophobicContact CB-CE2 4.17Å; Y25-F232 AromaticContact CD1-CE1 3.76Å; Y25-F232 HydrophobicContact CD1-CE1 3.76Å; Y25-F232 AromaticContact CD1-CZ 3.57Å; Y25-F232 HydrophobicContact CD1-CZ 3.57Å; Y25-F232 HydrophobicContact CD2-CZ 4.39Å; Y25-F232 AromaticContact CE1-CE1 3.57Å; Y25-F232 HydrophobicContact CE1-CE1 3.57Å; Y25-F232 AromaticContact CE1-CZ 3.47Å; Y25-F232 HydrophobicContact CE1-CZ 3.47Å; Y25-F232 VanDerWaalsContact CE1-CZ 3.47Å; Y25-F232 HydrophobicContact CE2-CZ 4.34Å; Y25-F232 HydrophobicContact CG-CZ 4.07Å; Y25-F232 AromaticContact CZ-CZ 3.91Å; F64-F232 HydrophobicContact CB-CD1 3.58Å; F64-F232 HydrophobicContact CB-CE1 3.43Å; F64-F232 VanDerWaalsContact CB-CE1 3.43Å; F64-F232 HydrophobicContact CB-CG 4.37Å; F64-F232 HydrophobicContact CB-CZ 4.11Å; F64-F232 HydrophobicContact CD1-CB 4.26Å; F64-F232 AromaticContact CD1-CD1 3.99Å; F64-F232 HydrophobicContact CD1-CD1 3.99Å; F64-F232 HydrophobicContact CD1-CG 4.2Å; F64-F232 HydrophobicContact CD2-CB 4.26Å; F64-F232 AromaticContact CD2-CD1 3.72Å; F64-F232 HydrophobicContact CD2-CD1 3.72Å; F64-F232 AromaticContact CD2-CD2 3.76Å; F64-F232 HydrophobicContact CD2-CD2 3.76Å; F64-F232 AromaticContact CD2-CE1 3.93Å; F64-F232 HydrophobicContact CD2-CE1 3.93Å; F64-F232 AromaticContact CD2-CE2 3.95Å; F64-F232 HydrophobicContact CD2-CE2 3.95Å; F64-F232 AromaticContact CD2-CG 3.62Å; F64-F232 HydrophobicContact CD2-CG 3.62Å; F64-F232 HydrophobicContact CD2-CZ 4.03Å; F64-F232 HydrophobicContact CE1-CB 4.09Å; F64-F232 HydrophobicContact CE1-CG 4.41Å; F64-F232 HydrophobicContact CE2-CB 4.1Å; F64-F232 HydrophobicContact CE2-CD1 4.4Å; F64-F232 AromaticContact CE2-CD2 3.92Å; F64-F232 HydrophobicContact CE2-CD2 3.92Å; F64-F232 HydrophobicContact CE2-CE2 4.45Å; F64-F232 AromaticContact CE2-CG 3.87Å; F64-F232 HydrophobicContact CE2-CG 3.87Å; F64-F232 HydrophobicContact CG-CB 4.35Å; F64-F232 AromaticContact CG-CD1 3.48Å; F64-F232 HydrophobicContact CG-CD1 3.48Å; F64-F232 VanDerWaalsContact CG-CD1 3.48Å; F64-F232 HydrophobicContact CG-CD2 4.37Å; F64-F232 AromaticContact CG-CE1 3.79Å; F64-F232 HydrophobicContact CG-CE1 3.79Å; F64-F232 AromaticContact CG-CG 3.81Å; F64-F232 HydrophobicContact CG-CG 3.81Å; F64-F232 HydrophobicContact CG-CZ 4.34Å; F64-F232 HydrophobicContact CZ-CB 4Å; F64-F232 HydrophobicContact CZ-CG 4.25Å; E228-F232 VanDerWaalsContact O-CB 3.29Å; E228-F232 WeakPolarHBondContact O-CB 3.44Å; E228-F232 PolarHBondContact O-N 3.32Å; H229-F232 PolarHBondContact O-N 3.38Å; H230-F232 PolarHBondContact O-N 2.61Å; F232-Y257 WeakPolarHBondContact CD2-OH 3.36Å; F232-K260 VanDerWaalsContact CD2-O 3.27Å; F232-K260 WeakPolarHBondContact CD2-O 3.47Å; F232-K260 WeakPolarHBondContact CE2-O 3.27Å; F232-T261 WeakPolarHBondContact O-CB 3.27Å; F232-E262 HydrophobicContact CD1-CB 4.28Å; F232-E262 HydrophobicContact CE1-CB 3.9Å; F232-E262 HydrophobicContact CE1-CG 4.42Å; F232-E262 HydrophobicContact CZ-CB 4.05Å; F232-E262 WeakPolarHBondContact O-CB 3.06Å; F232-E262 PolarHBondContact O-N 2.98Å; F232-V265 HydrophobicContact CE2-CG2 4.37Å |
| 233 | F | 92.6 | Very high | 86.2 | Confident | 28 Ų | 28 | 63.5 Ų | 63.5 | 12% | 0.123 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -88 | -26.6 | -173.7 | -65.8 | -66.6 | 0 | 0 | 0 | 114 | F64 Y65 P161 H229 | F64-F233 HydrophobicContact CB-CE2 4.17Å; F64-F233 HydrophobicContact CB-CZ 3.7Å; F64-F233 AromaticContact CD1-CE2 3.98Å; F64-F233 HydrophobicContact CD1-CE2 3.98Å; F64-F233 HydrophobicContact CD1-CZ 4.39Å; F64-F233 HydrophobicContact CG-CE2 4.42Å; F64-F233 HydrophobicContact CG-CZ 4.4Å; Y65-F233 WeakPolarHBondContact O-CZ 3.34Å; P161-F233 HydrophobicContact CB-CB 4.45Å; P161-F233 HydrophobicContact CB-CD1 3.76Å; P161-F233 HydrophobicContact CB-CD2 4.05Å; P161-F233 HydrophobicContact CB-CE1 3.9Å; P161-F233 HydrophobicContact CB-CE2 4.18Å; P161-F233 HydrophobicContact CB-CG 3.83Å; P161-F233 HydrophobicContact CB-CZ 4.1Å; P161-F233 HydrophobicContact CG-CD1 4.17Å; P161-F233 HydrophobicContact CG-CD2 4.31Å; P161-F233 HydrophobicContact CG-CE1 3.77Å; P161-F233 HydrophobicContact CG-CE2 3.93Å; P161-F233 HydrophobicContact CG-CG 4.42Å; P161-F233 HydrophobicContact CG-CZ 3.63Å; H229-F233 HydrophobicContact CB-CD2 4.41Å; H229-F233 AromaticContact CD2-CE2 3.85Å; H229-F233 VanDerWaalsContact O-CD2 3.3Å; H229-F233 WeakPolarHBondContact O-CD2 3.4Å; H229-F233 PolarHBondContact O-N 3.44Å |
| 234 | R | 90.6 | Very high | 84.4 | Confident | 145 Ų | 145 | 64.7 Ų | 64.7 | 55% | 0.547 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -100.9 | -34.5 | -173 | -170 | 57.6 | -175.8 | 145.3 | -0.3 | 114.3 | H230 | H230-R234 WeakPolarHBondContact O-CA 3.42Å; H230-R234 WeakPolarHBondContact O-CB 3.21Å; H230-R234 PolarHBondContact O-N 2.85Å |
| 235 | L | 89.1 | Confident | 82.5 | Confident | 54 Ų | 54 | 75.6 Ų | 75.6 | 28% | 0.283 | 38% | 0.379 | S | S | . | . | trans | -88.3 | 145.9 | -173.2 | -55.4 | -180 | 0 | 0 | 0 | 111.4 | A231 S237 P239 T261 | A231-L235 HydrophobicContact CB-CD1 4.05Å; A231-L235 WeakPolarHBondContact O-CB 3.39Å; A231-L235 PolarHBondContact O-N 3.34Å; L235-S237 VanDerWaalsContact C-N 3.29Å; L235-S237 WeakPolarHBondContact CB-O 3.45Å; L235-P239 HydrophobicContact CD1-CG 3.86Å; L235-T261 HydrophobicContact CB-CG2 4.15Å; L235-T261 WeakPolarHBondContact O-CB 3.37Å; L235-T261 WeakPolarHBondContact O-CG2 3.34Å; L235-T261 PolarHBondContact O-OG1 2.76Å | ||
| 236 | R | 86.4 | Confident | 80.8 | Confident | 185 Ų | 185 | 78.6 Ų | 78.6 | 70% | 0.698 | 39% | 0.393 | S | S | * | . | S | Bend | trans | -76.8 | -20 | 173 | -66.8 | -175.3 | 176 | -152.3 | -1.4 | 112.9 | T261 W263 | R236-T261 PolarHBondContact O-OG1 3.28Å; R236-W263 HydrophobicContact CB-CD2 4.32Å; R236-W263 HydrophobicContact CB-CE3 4.39Å; R236-W263 HydrophobicContact CG-CD2 4.48Å; R236-W263 HydrophobicContact CG-CG 4.47Å |
| 237 | S | 84.3 | Confident | 78.7 | Confident | 78 Ų | 78 | 81 Ų | 81 | 55% | 0.545 | 42% | 0.419 | S | S | . | . | S | Bend | trans | -153.2 | 154.6 | 178.1 | 56.2 | 0 | 0 | 0 | 0 | 109.8 | L235 | L235-S237 VanDerWaalsContact C-N 3.29Å; L235-S237 WeakPolarHBondContact CB-O 3.45Å |
| 238 | A | 79.8 | Confident | 76.9 | Confident | 30 Ų | 30 | 88.8 Ų | 88.8 | 25% | 0.248 | 45% | 0.45 | C | S | . | . | P | Polyproline II helix | trans | -61.5 | 143.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | Q240 Y257 G259 | A238-Q240 PolarHBondContact O-N 3.12Å; A238-Y257 HydrophobicContact CB-CD1 4.02Å; A238-Y257 HydrophobicContact CB-CE1 4.34Å; A238-G259 WeakPolarHBondContact CB-O 3.49Å |
| 239 | P | 75.7 | Confident | 74.8 | Confident | 64 Ų | 64 | 97 Ų | 97 | 42% | 0.416 | 49% | 0.486 | S | S | . | . | P | Polyproline II helix | trans | -54.9 | 129 | 175.2 | -24.2 | 33.3 | 0 | 0 | 0 | 111 | L235 K241 | L235-P239 HydrophobicContact CD1-CG 3.86Å; P239-K241 PolarHBondContact O-N 3.2Å |
| 240 | Q | 69.7 | Low | 73 | Confident | 174 Ų | 174 | 103 Ų | 103 | 81% | 0.813 | 51% | 0.508 | S | S | * | . | P | Polyproline II helix | trans | -55.7 | 137.4 | 179 | -72.4 | -68.1 | -7.9 | 0 | 0 | 110.8 | A238 | A238-Q240 PolarHBondContact O-N 3.12Š|
| 241 | K | 68.3 | Low | 71.4 | Confident | 165 Ų | 165 | 108.9 Ų | 108.9 | 72% | 0.717 | 54% | 0.54 | S | S | * | . | P | Polyproline II helix | trans | -61.1 | 128.4 | 173.4 | -71.2 | 179.5 | -176.5 | 171.5 | 0 | 107.6 | P239 T243 | P239-K241 PolarHBondContact O-N 3.2Å; K241-T243 PolarHBondContact O-N 2.97Å |
| 242 | P | 63 | Low | 70.2 | Confident | 69 Ų | 69 | 111.1 Ų | 111.1 | 45% | 0.448 | 56% | 0.564 | S | S | . | * | P | Polyproline II helix | trans | -57 | 119.7 | 175.8 | -20.5 | 30 | 0 | 0 | 0 | 109.1 | G244 | P242-G244 PolarHBondContact O-N 3.23Š|
| 243 | T | 62.9 | Low | 69.5 | Low | 155 Ų | 155 | 112.1 Ų | 112.1 | 95% | 0.951 | 57% | 0.571 | S | S | * | * | trans | -74.3 | -8.9 | -177.4 | 47.6 | 0 | 0 | 0 | 0 | 113 | K241 | K241-T243 PolarHBondContact O-N 2.97Š| ||
| 244 | G | 59.3 | Low | 68.9 | Low | 50 Ų | 50 | 118.6 Ų | 118.6 | 52% | 0.515 | 59% | 0.594 | S | S | . | * | S | Bend | trans | -82.4 | 140.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | P242 Q246 | P242-G244 PolarHBondContact O-N 3.23Å; G244-Q246 PolarHBondContact O-N 3.41Å |
| 245 | R | 55.2 | Low | 68.7 | Low | 262 Ų | 262 | 112.6 Ų | 112.6 | 99% | 0.989 | 57% | 0.572 | S | S | * | * | trans | -53.5 | 103.8 | 168.3 | -125.3 | 179.9 | -172.3 | 173.6 | 2.5 | 108.5 | G247 | R245-G247 PolarHBondContact O-N 2.92Å; R245-G247 VanDerWaalsContact O-N 3.15Å | ||
| 246 | Q | 57.9 | Low | 68.4 | Low | 64 Ų | 64 | 114.4 Ų | 114.4 | 30% | 0.299 | 58% | 0.575 | S | S | . | * | trans | -68 | 114.4 | 179 | -64.9 | -172 | 1.1 | 0 | 0 | 109 | G244 | G244-Q246 PolarHBondContact O-N 3.41Š| ||
| 247 | G | 53.5 | Low | 68.5 | Low | 54 Ų | 54 | 106.2 Ų | 106.2 | 56% | 0.557 | 55% | 0.545 | S | S | * | . | trans | -52.6 | 149.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113 | R245 F249 | R245-G247 PolarHBondContact O-N 2.92Å; R245-G247 VanDerWaalsContact O-N 3.15Å; G247-F249 PolarHBondContact O-N 3.49Å; G247-F249 VanDerWaalsContact O-N 3.08Å | ||
| 248 | F | 55.3 | Low | 68.5 | Low | 201 Ų | 201 | 105.9 Ų | 105.9 | 88% | 0.882 | 54% | 0.539 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | -13.6 | -170.1 | -71.1 | -85 | 0 | 0 | 0 | 115.1 | ||
| 249 | F | 51.2 | Low | 68.8 | Low | 192 Ų | 192 | 105.6 Ų | 105.6 | 84% | 0.842 | 54% | 0.539 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.9 | 35.8 | -170.7 | -62.1 | -74.3 | 0 | 0 | 0 | 115.3 | G247 L251 | G247-F249 PolarHBondContact O-N 3.49Å; G247-F249 VanDerWaalsContact O-N 3.08Å; F249-L251 PolarHBondContact O-N 3.22Å; F249-L251 VanDerWaalsContact O-N 3.1Å |
| 250 | R | 57.6 | Low | 69.4 | Low | 130 Ų | 130 | 105.8 Ų | 105.8 | 49% | 0.491 | 53% | 0.533 | S | S | . | . | trans | -78 | 98.1 | 177.5 | -162.4 | 175.4 | -170 | 162.1 | 8 | 111.8 | G252 | R250-G252 VanDerWaalsContact C-N 3.33Å; R250-G252 PolarHBondContact O-N 3.4Å | ||
| 251 | L | 59.4 | Low | 70.5 | Confident | 183 Ų | 183 | 97.6 Ų | 97.6 | 96% | 0.958 | 50% | 0.495 | S | S | * | . | trans | -70.2 | 87.4 | 164.1 | -94.8 | 88.7 | 0 | 0 | 0 | 109.5 | F249 | F249-L251 PolarHBondContact O-N 3.22Å; F249-L251 VanDerWaalsContact O-N 3.1Å | ||
| 252 | G | 67.9 | Low | 71.6 | Confident | 50 Ų | 50 | 91.8 Ų | 91.8 | 52% | 0.515 | 47% | 0.471 | S | S | . | . | S | Bend | trans | 174.2 | 167.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113 | R250 R254 | R250-G252 VanDerWaalsContact C-N 3.33Å; R250-G252 PolarHBondContact O-N 3.4Å; G252-R254 PolarHBondContact O-N 2.98Å |
| 253 | S | 79.2 | Confident | 72.7 | Confident | 21 Ų | 21 | 94 Ų | 94 | 15% | 0.147 | 47% | 0.47 | C | S | . | . | trans | -68.5 | 119.6 | 176.1 | -167.5 | 0 | 0 | 0 | 0 | 110.8 | W223 F255 R256 | W223-S253 VanDerWaalsContact CZ3-OG 3.31Å; W223-S253 WeakPolarHBondContact CZ3-OG 3.44Å; S253-F255 PolarHBondContact O-N 3.28Å; S253-F255 WeakPolarHBondContact OG-CB 3.49Å; S253-R256 PolarHBondContact O-NH1 3.12Å; S253-R256 VanDerWaalsContact O-NH1 3.11Å | ||
| 254 | R | 81.7 | Confident | 73.9 | Confident | 164 Ų | 164 | 87.5 Ų | 87.5 | 62% | 0.619 | 44% | 0.435 | S | S | * | . | trans | -78.1 | -4.1 | 172 | -66.8 | 177 | 64.9 | 131 | 0.6 | 113.4 | G252 | G252-R254 PolarHBondContact O-N 2.98Š| ||
| 255 | F | 84.8 | Confident | 75.2 | Confident | 20 Ų | 20 | 85.3 Ų | 85.3 | 9% | 0.088 | 41% | 0.411 | C | S | . | . | trans | -64.3 | 137.3 | -177.1 | 175.3 | -96.3 | 0 | 0 | 0 | 110.8 | W223 K224 V227 E228 S253 | W223-F255 HydrophobicContact CH2-CD1 4.25Å; W223-F255 HydrophobicContact CZ3-CB 3.98Å; W223-F255 AromaticContact CZ3-CD1 3.72Å; W223-F255 HydrophobicContact CZ3-CD1 3.72Å; W223-F255 HydrophobicContact CZ3-CG 4.26Å; K224-F255 HydrophobicContact CB-CD1 4.35Å; K224-F255 HydrophobicContact CB-CE1 4.13Å; K224-F255 HydrophobicContact CB-CZ 4.4Å; K224-F255 HydrophobicContact CD-CD2 4.2Å; K224-F255 HydrophobicContact CD-CE2 4.45Å; K224-F255 HydrophobicContact CD-CG 4.27Å; K224-F255 HydrophobicContact CG-CB 4.44Å; K224-F255 HydrophobicContact CG-CD1 3.72Å; K224-F255 HydrophobicContact CG-CD2 4.18Å; K224-F255 HydrophobicContact CG-CE1 3.97Å; K224-F255 HydrophobicContact CG-CE2 4.4Å; K224-F255 HydrophobicContact CG-CG 3.83Å; K224-F255 HydrophobicContact CG-CZ 4.31Å; K224-F255 VanDerWaalsContact NZ-CD2 3.34Å; V227-F255 HydrophobicContact CG1-CE1 4.28Å; E228-F255 HydrophobicContact CG-CE1 3.84Å; E228-F255 HydrophobicContact CG-CZ 3.48Å; E228-F255 VanDerWaalsContact CG-CZ 3.48Å; E228-F255 VanDerWaalsContact OE1-CZ 3.32Å; E228-F255 WeakPolarHBondContact OE1-CZ 2.88Å; S253-F255 PolarHBondContact O-N 3.28Å; S253-F255 WeakPolarHBondContact OG-CB 3.49Å | ||
| 256 | R | 83.6 | Confident | 76.5 | Confident | 91 Ų | 91 | 74.7 Ų | 74.7 | 34% | 0.343 | 38% | 0.376 | S | S | . | . | trans | -141.8 | 147.9 | 173.4 | -61.6 | -64.2 | -177.1 | -90.3 | 6.6 | 106.7 | S253 | S253-R256 PolarHBondContact O-NH1 3.12Å; S253-R256 VanDerWaalsContact O-NH1 3.11Å | ||
| 257 | Y | 87.7 | Confident | 77.7 | Confident | 14 Ų | 14 | 76.1 Ų | 76.1 | 6% | 0.055 | 38% | 0.381 | C | S | . | . | trans | -66 | 136.4 | 170 | -179.5 | -106.2 | 0 | 0 | 0 | 109.9 | F64 E228 A231 F232 A238 G259 K260 T261 | F64-Y257 HydrophobicContact CE2-CE2 4.42Å; F64-Y257 HydrophobicContact CZ-CE2 4.31Å; E228-Y257 HydrophobicContact CB-CD2 4.23Å; E228-Y257 HydrophobicContact CG-CD2 4.06Å; A231-Y257 HydrophobicContact CB-CD1 3.56Å; A231-Y257 HydrophobicContact CB-CD2 4.28Å; A231-Y257 HydrophobicContact CB-CE1 4.31Å; A231-Y257 HydrophobicContact CB-CG 3.54Å; F232-Y257 WeakPolarHBondContact CD2-OH 3.36Å; A238-Y257 HydrophobicContact CB-CD1 4.02Å; A238-Y257 HydrophobicContact CB-CE1 4.34Å; Y257-G259 VanDerWaalsContact CE1-C 3.5Å; Y257-G259 WeakPolarHBondContact CE1-O 3.3Å; Y257-G259 VanDerWaalsContact OH-C 3.31Å; Y257-G259 WeakPolarHBondContact OH-CA 3.3Å; Y257-K260 PolarHBondContact OH-O 3.41Å; Y257-T261 HydrophobicContact CE1-CG2 4.27Å | ||
| 258 | T | 84.7 | Confident | 78.9 | Confident | 71 Ų | 71 | 77.6 Ų | 77.6 | 44% | 0.436 | 37% | 0.373 | S | S | . | . | trans | -129.4 | 3.5 | -174.5 | 57.3 | 0 | 0 | 0 | 0 | 114.4 | T43 | T43-T258 HydrophobicContact CG2-CG2 4.21Š| ||
| 259 | G | 86.2 | Confident | 79.8 | Confident | 24 Ų | 24 | 68.4 Ų | 68.4 | 25% | 0.247 | 33% | 0.334 | C | S | . | . | S | Bend | trans | -90.8 | -177.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | A238 Y257 | A238-G259 WeakPolarHBondContact CB-O 3.49Å; Y257-G259 VanDerWaalsContact CE1-C 3.5Å; Y257-G259 WeakPolarHBondContact CE1-O 3.3Å; Y257-G259 VanDerWaalsContact OH-C 3.31Å; Y257-G259 WeakPolarHBondContact OH-CA 3.3Å |
| 260 | K | 89.3 | Confident | 80.7 | Confident | 67 Ų | 67 | 64.7 Ų | 64.7 | 29% | 0.291 | 32% | 0.319 | S | S | . | . | trans | -81 | 138.5 | 170.6 | -62.8 | 176 | -171.6 | 164.1 | 0 | 109.7 | D24 F232 Y257 V265 E268 | D24-K260 PolarHBondContact OD1-N 2.92Å; F232-K260 VanDerWaalsContact CD2-O 3.27Å; F232-K260 WeakPolarHBondContact CD2-O 3.47Å; F232-K260 WeakPolarHBondContact CE2-O 3.27Å; Y257-K260 PolarHBondContact OH-O 3.41Å; K260-V265 HydrophobicContact CB-CG2 3.83Å; K260-E268 WeakPolarHBondContact CE-OE2 3.49Å; K260-E268 IonicContact NZ-OE1 3.76Å; K260-E268 PolarHBondContact NZ-OE1 3.19Å; K260-E268 IonicContact NZ-OE2 3.04Å; K260-E268 PolarHBondContact NZ-OE2 3.37Å | ||
| 261 | T | 92.2 | Very high | 81 | Confident | 2 Ų | 2 | 66.8 Ų | 66.8 | 1% | 0.012 | 33% | 0.332 | C | S | . | . | trans | -73.4 | 161.7 | 173.4 | 69.3 | 0 | 0 | 0 | 0 | 110.3 | A231 F232 L235 R236 Y257 W263 G264 V265 | A231-T261 WeakPolarHBondContact O-CG2 3.09Å; F232-T261 WeakPolarHBondContact O-CB 3.27Å; L235-T261 HydrophobicContact CB-CG2 4.15Å; L235-T261 WeakPolarHBondContact O-CB 3.37Å; L235-T261 WeakPolarHBondContact O-CG2 3.34Å; L235-T261 PolarHBondContact O-OG1 2.76Å; R236-T261 PolarHBondContact O-OG1 3.28Å; Y257-T261 HydrophobicContact CE1-CG2 4.27Å; T261-W263 PolarHBondContact O-N 2.93Å; T261-G264 WeakPolarHBondContact O-CA 3.31Å; T261-G264 PolarHBondContact O-N 3.11Å; T261-V265 WeakPolarHBondContact O-CG2 3.4Å; T261-V265 PolarHBondContact O-N 3.16Å | ||
| 262 | E | 90.3 | Very high | 81.1 | Confident | 43 Ų | 43 | 62 Ų | 62 | 20% | 0.201 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -51.1 | -44.4 | 179.1 | -174.6 | 176.4 | -128.5 | 0 | 0 | 111 | S66 F232 G264 V265 T266 | S66-E262 PolarHBondContact OG-OE1 3.25Å; F232-E262 HydrophobicContact CD1-CB 4.28Å; F232-E262 HydrophobicContact CE1-CB 3.9Å; F232-E262 HydrophobicContact CE1-CG 4.42Å; F232-E262 HydrophobicContact CZ-CB 4.05Å; F232-E262 WeakPolarHBondContact O-CB 3.06Å; F232-E262 PolarHBondContact O-N 2.98Å; E262-G264 VanDerWaalsContact C-N 3.28Å; E262-G264 PolarHBondContact O-N 3.17Å; E262-V265 PolarHBondContact O-N 3.31Å; E262-V265 VanDerWaalsContact O-N 3.14Å; E262-T266 PolarHBondContact O-N 3.47Å; E262-T266 PolarHBondContact O-OG1 3.09Å; E262-T266 VanDerWaalsContact O-OG1 3.13Å |
| 263 | W | 87.3 | Confident | 80.7 | Confident | 115 Ų | 115 | 67.1 Ų | 67.1 | 44% | 0.436 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -57.3 | -38.5 | 175.1 | -173.7 | 90.4 | 0 | 0 | 0 | 113.6 | R236 T261 K267 | R236-W263 HydrophobicContact CB-CD2 4.32Å; R236-W263 HydrophobicContact CB-CE3 4.39Å; R236-W263 HydrophobicContact CG-CD2 4.48Å; R236-W263 HydrophobicContact CG-CG 4.47Å; T261-W263 PolarHBondContact O-N 2.93Å; W263-K267 HydrophobicContact CD2-CD 4.06Å; W263-K267 VanDerWaalsContact CE2-CE 3.44Å; W263-K267 HydrophobicContact CE3-CD 3.93Å; W263-K267 HydrophobicContact CH2-CD 3.57Å; W263-K267 VanDerWaalsContact CH2-CE 3.48Å; W263-K267 HydrophobicContact CZ2-CD 3.68Å; W263-K267 HydrophobicContact CZ3-CD 3.67Å; W263-K267 WeakPolarHBondContact O-CB 3.34Å; W263-K267 WeakPolarHBondContact O-CG 3.49Å; W263-K267 PolarHBondContact O-N 2.95Å |
| 264 | G | 87.6 | Confident | 79.8 | Confident | 20 Ų | 20 | 74.9 Ų | 74.9 | 21% | 0.206 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -71.1 | -42 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | T261 E262 K267 E268 | T261-G264 WeakPolarHBondContact O-CA 3.31Å; T261-G264 PolarHBondContact O-N 3.11Å; E262-G264 VanDerWaalsContact C-N 3.28Å; E262-G264 PolarHBondContact O-N 3.17Å; G264-K267 PolarHBondContact O-N 2.95Å; G264-E268 PolarHBondContact O-N 3Å |
| 265 | V | 86.9 | Confident | 78.6 | Confident | 4 Ų | 4 | 73.4 Ų | 73.4 | 2% | 0.024 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -62.3 | -53.9 | 178.5 | 179.4 | 0 | 0 | 0 | 0 | 110.5 | E22 D24 Y25 F232 K260 T261 E262 K267 E268 T269 | E22-V265 HydrophobicContact CG-CG1 4.29Å; D24-V265 HydrophobicContact CB-CG2 3.69Å; Y25-V265 HydrophobicContact CD2-CG1 4.33Å; Y25-V265 HydrophobicContact CE2-CB 4.43Å; Y25-V265 HydrophobicContact CE2-CG1 3.71Å; F232-V265 HydrophobicContact CE2-CG2 4.37Å; K260-V265 HydrophobicContact CB-CG2 3.83Å; T261-V265 WeakPolarHBondContact O-CG2 3.4Å; T261-V265 PolarHBondContact O-N 3.16Å; E262-V265 PolarHBondContact O-N 3.31Å; E262-V265 VanDerWaalsContact O-N 3.14Å; V265-K267 PolarHBondContact O-N 2.99Å; V265-E268 PolarHBondContact O-N 3.47Å; V265-T269 PolarHBondContact O-N 3.25Å; V265-T269 VanDerWaalsContact O-N 3.09Å; V265-T269 PolarHBondContact O-OG1 3.46Å |
| 266 | T | 82.8 | Confident | 77.5 | Confident | 39 Ų | 39 | 74 Ų | 74 | 24% | 0.239 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -59.1 | -34.3 | -179.6 | -54.8 | 0 | 0 | 0 | 0 | 112.7 | E262 T269 Q270 | E262-T266 PolarHBondContact O-N 3.47Å; E262-T266 PolarHBondContact O-OG1 3.09Å; E262-T266 VanDerWaalsContact O-OG1 3.13Å; T266-T269 WeakPolarHBondContact CA-OG1 3.39Å; T266-T269 PolarHBondContact O-OG1 3.13Å; T266-Q270 VanDerWaalsContact O-CG 3.28Å; T266-Q270 WeakPolarHBondContact O-CG 3.32Å; T266-Q270 PolarHBondContact O-N 2.96Å |
| 267 | K | 82 | Confident | 76.4 | Confident | 94 Ų | 94 | 77 Ų | 77 | 41% | 0.409 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -69.3 | -36.8 | 176.9 | -84.4 | -168.3 | 166.1 | -160.3 | 0 | 113.1 | W263 G264 V265 F271 | W263-K267 HydrophobicContact CD2-CD 4.06Å; W263-K267 VanDerWaalsContact CE2-CE 3.44Å; W263-K267 HydrophobicContact CE3-CD 3.93Å; W263-K267 HydrophobicContact CH2-CD 3.57Å; W263-K267 VanDerWaalsContact CH2-CE 3.48Å; W263-K267 HydrophobicContact CZ2-CD 3.68Å; W263-K267 HydrophobicContact CZ3-CD 3.67Å; W263-K267 WeakPolarHBondContact O-CB 3.34Å; W263-K267 WeakPolarHBondContact O-CG 3.49Å; W263-K267 PolarHBondContact O-N 2.95Å; G264-K267 PolarHBondContact O-N 2.95Å; V265-K267 PolarHBondContact O-N 2.99Å; K267-F271 WeakPolarHBondContact O-CD2 3.48Å; K267-F271 WeakPolarHBondContact O-CE2 3.41Å |
| 268 | E | 80.2 | Confident | 75.2 | Confident | 85 Ų | 85 | 82.5 Ų | 82.5 | 40% | 0.397 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -76.4 | -41.3 | -177.3 | -173.1 | 170.1 | 159.4 | 0 | 0 | 112.1 | K260 G264 V265 Q270 F271 N272 | K260-E268 WeakPolarHBondContact CE-OE2 3.49Å; K260-E268 IonicContact NZ-OE1 3.76Å; K260-E268 PolarHBondContact NZ-OE1 3.19Å; K260-E268 IonicContact NZ-OE2 3.04Å; K260-E268 PolarHBondContact NZ-OE2 3.37Å; G264-E268 PolarHBondContact O-N 3Å; V265-E268 PolarHBondContact O-N 3.47Å; E268-Q270 VanDerWaalsContact C-N 3.26Å; E268-Q270 PolarHBondContact O-N 2.97Å; E268-F271 PolarHBondContact O-N 3.46Å; E268-N272 PolarHBondContact O-N 2.77Å |
| 269 | T | 74.2 | Confident | 74.3 | Confident | 8 Ų | 8 | 86.8 Ų | 86.8 | 5% | 0.049 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -65.7 | -27.9 | 176 | 43.4 | 0 | 0 | 0 | 0 | 112.8 | E22 H73 V265 T266 F271 N272 | E22-T269 HydrophobicContact CG-CG2 3.69Å; H73-T269 PolarHBondContact CD2-OG1 3.38Å; V265-T269 PolarHBondContact O-N 3.25Å; V265-T269 VanDerWaalsContact O-N 3.09Å; V265-T269 PolarHBondContact O-OG1 3.46Å; T266-T269 WeakPolarHBondContact CA-OG1 3.39Å; T266-T269 PolarHBondContact O-OG1 3.13Å; T269-F271 PolarHBondContact O-N 3.14Å; T269-N272 CarbonylContact O-C 3.51Å; T269-N272 PolarHBondContact O-N 3.11Å |
| 270 | Q | 68.5 | Low | 73.4 | Confident | 113 Ų | 113 | 89 Ų | 89 | 53% | 0.528 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -59.3 | -31.9 | 170.1 | -81.1 | 176 | 15.9 | 0 | 0 | 113.1 | T266 E268 | T266-Q270 VanDerWaalsContact O-CG 3.28Å; T266-Q270 WeakPolarHBondContact O-CG 3.32Å; T266-Q270 PolarHBondContact O-N 2.96Å; E268-Q270 VanDerWaalsContact C-N 3.26Å; E268-Q270 PolarHBondContact O-N 2.97Å |
| 271 | F | 63.7 | Low | 72.6 | Confident | 175 Ų | 175 | 97 Ų | 97 | 77% | 0.768 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -93.1 | -31.3 | 179.7 | -65.8 | -70.7 | 0 | 0 | 0 | 113.1 | K267 E268 T269 | K267-F271 WeakPolarHBondContact O-CD2 3.48Å; K267-F271 WeakPolarHBondContact O-CE2 3.41Å; E268-F271 PolarHBondContact O-N 3.46Å; T269-F271 PolarHBondContact O-N 3.14Å |
| 272 | N | 61.9 | Low | 72 | Confident | 82 Ų | 82 | 102.6 Ų | 102.6 | 44% | 0.439 | 47% | 0.472 | S | S | . | . | trans | -110.4 | 88 | -178.7 | -70.5 | -26.4 | 0 | 0 | 0 | 109.9 | E268 T269 | E268-N272 PolarHBondContact O-N 2.77Å; T269-N272 CarbonylContact O-C 3.51Å; T269-N272 PolarHBondContact O-N 3.11Å | ||
| 273 | K | 60.4 | Low | 71.6 | Confident | 157 Ų | 157 | 104.6 Ų | 104.6 | 68% | 0.683 | 49% | 0.491 | S | S | * | . | trans | -93.2 | 98.9 | 169.3 | -63.8 | -178.2 | -178.9 | -177.7 | 0 | 108.7 | ||||
| 274 | R | 58.9 | Low | 71.5 | Confident | 184 Ų | 184 | 105.8 Ų | 105.8 | 69% | 0.694 | 50% | 0.502 | S | S | * | . | trans | -113.3 | 144.2 | 164.9 | -49.5 | 178.7 | 169.6 | 173.3 | -2.6 | 109 | E21 | E21-R274 WeakPolarHBondContact OE1-CA 3.49Å; E21-R274 WeakPolarHBondContact OE1-CB 3.45Å; E21-R274 PolarHBondContact OE1-N 3.46Å | ||
| 275 | H | 58.3 | Low | 71.6 | Confident | 133 Ų | 133 | 111.7 Ų | 111.7 | 62% | 0.616 | 52% | 0.518 | S | S | * | . | trans | -94 | 108.4 | 173 | -61 | -87.1 | 0 | 0 | 0 | 107.6 | E75 | E75-H275 IonicContact OE2-CE1 3.14Å; E75-H275 PolarHBondContact OE2-CE1 3.3Å; E75-H275 IonicContact OE2-ND1 3.84Å; E75-H275 PolarHBondContact OE2-ND1 2.71Å | ||
| 276 | A | 59.9 | Low | 71.8 | Confident | 32 Ų | 32 | 116.4 Ų | 116.4 | 26% | 0.264 | 54% | 0.536 | S | S | . | . | trans | -73.4 | 133.7 | 170.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | D19 F278 | D19-A276 HydrophobicContact CB-CB 4.26Å; A276-F278 PolarHBondContact O-N 3.29Å | ||
| 277 | H | 60.4 | Low | 72.2 | Confident | 155 Ų | 155 | 117.2 Ų | 117.2 | 72% | 0.718 | 55% | 0.551 | S | S | * | * | trans | -84.3 | 107.3 | 171.7 | 177.9 | -80.6 | 0 | 0 | 0 | 109.2 | ||||
| 278 | F | 64.2 | Low | 72.7 | Confident | 129 Ų | 129 | 114.6 Ų | 114.6 | 57% | 0.566 | 54% | 0.544 | S | S | * | . | trans | -107.9 | 120.8 | 179.1 | -178.6 | -98.8 | 0 | 0 | 0 | 112 | A276 R280 | A276-F278 PolarHBondContact O-N 3.29Å; F278-R280 HydrophobicContact CD1-CG 4.07Å; F278-R280 HydrophobicContact CE1-CG 4.05Å | ||
| 279 | E | 65.3 | Low | 73.4 | Confident | 161 Ų | 161 | 115 Ų | 115 | 75% | 0.752 | 54% | 0.542 | S | S | * | . | P | Polyproline II helix | trans | -83.4 | 122.5 | 170.6 | -170.8 | -178.4 | 175.2 | 0 | 0 | 110.6 | ||
| 280 | R | 67.9 | Low | 74.2 | Confident | 72 Ų | 72 | 122 Ų | 122 | 27% | 0.272 | 57% | 0.574 | S | S | . | * | P | Polyproline II helix | trans | -79.2 | 133.5 | 179 | -64.9 | -178.5 | 176.4 | -140.6 | -10.1 | 111.2 | M79 P123 E127 F278 | M79-R280 HydrophobicContact CE-CB 4.23Å; M79-R280 HydrophobicContact CE-CG 3.91Å; P123-R280 VanDerWaalsContact CB-NH1 3.3Å; E127-R280 IonicContact OE1-CZ 2.95Å; E127-R280 IonicContact OE1-NH1 2.6Å; E127-R280 PolarHBondContact OE1-NH1 3.31Å; E127-R280 IonicContact OE1-NH2 3Å; E127-R280 PolarHBondContact OE1-NH2 2.91Å; E127-R280 IonicContact OE2-CZ 3.94Å; E127-R280 IonicContact OE2-NH1 2.85Å; E127-R280 IonicContact OE2-NH2 3.9Å; E127-R280 PolarHBondContact OE2-NH2 3.11Å; F278-R280 HydrophobicContact CD1-CG 4.07Å; F278-R280 HydrophobicContact CE1-CG 4.05Å |
| 281 | R | 72.4 | Confident | 75.4 | Confident | 234 Ų | 234 | 118.5 Ų | 118.5 | 88% | 0.883 | 56% | 0.562 | S | S | * | * | P | Polyproline II helix | trans | -81.8 | 138.3 | 169.2 | -66 | -171 | 178.2 | -170.1 | -0.5 | 110.8 | ||
| 282 | P | 77.9 | Confident | 76.8 | Confident | 119 Ų | 119 | 110.3 Ų | 110.3 | 77% | 0.773 | 53% | 0.526 | S | S | * | . | P | Polyproline II helix | trans | -56.6 | 142.1 | 171.1 | -23.8 | 33.3 | 0 | 0 | 0 | 111.6 | ||
| 283 | S | 82.8 | Confident | 78.1 | Confident | 86 Ų | 86 | 110.1 Ų | 110.1 | 60% | 0.601 | 53% | 0.525 | S | S | * | . | P | Polyproline II helix | trans | -65.9 | 150.6 | 174.6 | -50.2 | 0 | 0 | 0 | 0 | 111.2 | R285 | S283-R285 PolarHBondContact O-N 3.32Š|
| 284 | Q | 85.5 | Confident | 79.5 | Confident | 140 Ų | 140 | 106.8 Ų | 106.8 | 65% | 0.654 | 51% | 0.514 | S | S | * | . | P | Polyproline II helix | trans | -61.7 | 131.9 | 172.7 | -177.6 | 171.9 | 3.7 | 0 | 0 | 110.3 | Y286 | Q284-Y286 HydrophobicContact CG-CE2 4.17Š|
| 285 | R | 90.1 | Very high | 80.9 | Confident | 144 Ų | 144 | 103.2 Ų | 103.2 | 54% | 0.543 | 50% | 0.5 | S | S | . | . | trans | -109.8 | 146.6 | 177.7 | -63.3 | 179.5 | -179.8 | -145.4 | 10.9 | 110.6 | E96 F97 S283 | E96-R285 HydrophobicContact CB-CB 4.39Å; E96-R285 CarbonylContact O-C 3.56Å; E96-R285 WeakPolarHBondContact O-CA 3.49Å; E96-R285 WeakPolarHBondContact OE2-CD 3.42Å; E96-R285 IonicContact OE2-CZ 3.76Å; E96-R285 IonicContact OE2-NE 3.92Å; E96-R285 IonicContact OE2-NH1 2.89Å; E96-R285 PolarHBondContact OE2-NH1 3.46Å; F97-R285 HydrophobicContact CE1-CG 4.05Å; F97-R285 HydrophobicContact CZ-CG 4.32Å; S283-R285 PolarHBondContact O-N 3.32Å | ||
| 286 | Y | 91.2 | Very high | 82.3 | Confident | 103 Ų | 103 | 99.6 Ų | 99.6 | 40% | 0.404 | 48% | 0.484 | S | S | . | . | trans | -117.6 | 167.2 | 174.4 | -61.3 | -90 | 0 | 0 | 0 | 109.3 | E96 R98 Q284 | E96-Y286 WeakPolarHBondContact CA-O 2.91Å; E96-Y286 WeakPolarHBondContact CB-O 3.46Å; E96-Y286 PolarHBondContact O-N 3.45Å; R98-Y286 HydrophobicContact CB-CD2 4.47Å; R98-Y286 HydrophobicContact CB-CE2 4.18Å; R98-Y286 HydrophobicContact CG-CD2 3.55Å; R98-Y286 HydrophobicContact CG-CE2 3.58Å; R98-Y286 HydrophobicContact CG-CG 4.21Å; Q284-Y286 HydrophobicContact CG-CE2 4.17Å | ||
| 287 | G | 91.5 | Very high | 83.6 | Confident | 55 Ų | 55 | 103.2 Ų | 103.2 | 57% | 0.567 | 50% | 0.495 | S | S | * | . | P | Polyproline II helix | trans | -59.1 | 137.9 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | R98 | R98-G287 PolarHBondContact NH2-O 2.98Š|
| 288 | P | 92.5 | Very high | 84.9 | Confident | 39 Ų | 39 | 100.4 Ų | 100.4 | 25% | 0.253 | 48% | 0.482 | S | S | . | . | P | Polyproline II helix | trans | -68.8 | 159.2 | 176.8 | 30 | -35.9 | 0 | 0 | 0 | 111.3 | A92 S95 E96 Q290 L293 | A92-P288 HydrophobicContact CB-CB 4.27Å; A92-P288 WeakPolarHBondContact O-CB 3.44Å; S95-P288 WeakPolarHBondContact OG-CA 3.22Å; S95-P288 VanDerWaalsContact OG-CB 3.29Å; S95-P288 WeakPolarHBondContact OG-CB 3.4Å; E96-P288 HydrophobicContact CG-CB 4.21Å; P288-Q290 PolarHBondContact O-N 3.43Å; P288-L293 HydrophobicContact CB-CD2 4.44Å; P288-L293 HydrophobicContact CG-CD1 4.09Å; P288-L293 HydrophobicContact CG-CD2 4.03Å; P288-L293 HydrophobicContact CG-CG 4.29Å |
| 289 | R | 93 | Very high | 86 | Confident | 94 Ų | 94 | 100.4 Ų | 100.4 | 36% | 0.355 | 48% | 0.482 | S | S | . | . | P | Polyproline II helix | trans | -67.5 | 130.2 | 177.4 | -170.7 | -175.5 | -62.5 | -91.7 | -3.1 | 110.5 | S95 Q103 E108 S291 H292 L293 | S95-R289 PolarHBondContact OG-N 2.96Å; Q103-R289 PolarHBondContact O-NH2 3.08Å; E108-R289 IonicContact OE1-CZ 2.76Å; E108-R289 IonicContact OE1-NE 3.34Å; E108-R289 IonicContact OE1-NH2 2.8Å; E108-R289 PolarHBondContact OE1-NH2 2.89Å; E108-R289 VanDerWaalsContact OE1-NH2 3.14Å; E108-R289 IonicContact OE2-CZ 3.63Å; E108-R289 IonicContact OE2-NE 2.84Å; E108-R289 PolarHBondContact OE2-NE 3.06Å; E108-R289 VanDerWaalsContact OE2-NE 3.11Å; E108-R289 IonicContact OE2-NH2 3.34Å; R289-S291 VanDerWaalsContact C-N 3.28Å; R289-S291 WeakPolarHBondContact CD-OG 3.36Å; R289-S291 WeakPolarHBondContact CG-OG 3.41Å; R289-S291 PolarHBondContact O-N 3.18Å; R289-H292 PolarHBondContact O-N 3.31Å; R289-H292 VanDerWaalsContact O-N 3.14Å; R289-L293 PolarHBondContact O-N 2.96Å |
| 290 | Q | 92.9 | Very high | 86.9 | Confident | 155 Ų | 155 | 98.4 Ų | 98.4 | 72% | 0.724 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -57.7 | -37 | -179 | -71.7 | -174.7 | -27.9 | 0 | 0 | 113.3 | P288 H292 L293 I294 | P288-Q290 PolarHBondContact O-N 3.43Å; Q290-H292 VanDerWaalsContact C-N 3.28Å; Q290-H292 PolarHBondContact O-N 3.41Å; Q290-L293 PolarHBondContact O-N 3.3Å; Q290-L293 VanDerWaalsContact O-N 3.16Å; Q290-I294 WeakPolarHBondContact O-CG1 3.41Å; Q290-I294 PolarHBondContact O-N 3.04Å |
| 291 | S | 93.1 | Very high | 87.7 | Confident | 39 Ų | 39 | 99.4 Ų | 99.4 | 27% | 0.273 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -61.1 | -34.8 | 179.6 | 59.7 | 0 | 0 | 0 | 0 | 113 | E105 R289 R295 | E105-S291 VanDerWaalsContact OE2-CB 3.31Å; E105-S291 WeakPolarHBondContact OE2-CB 3.34Å; E105-S291 PolarHBondContact OE2-OG 3.3Å; R289-S291 VanDerWaalsContact C-N 3.28Å; R289-S291 WeakPolarHBondContact CD-OG 3.36Å; R289-S291 WeakPolarHBondContact CG-OG 3.41Å; R289-S291 PolarHBondContact O-N 3.18Å; S291-R295 WeakPolarHBondContact O-CB 3.26Å; S291-R295 PolarHBondContact O-N 2.94Å; S291-R295 VanDerWaalsContact O-N 3.09Å |
| 292 | H | 92.3 | Very high | 88.2 | Confident | 3 Ų | 3 | 97.2 Ų | 97.2 | 1% | 0.014 | 48% | 0.475 | C | S | . | . | H | α-helix | trans | -68 | -43.6 | 174.2 | -75.9 | -33.6 | 0 | 0 | 0 | 112.3 | P91 A92 E105 E108 R289 Q290 R295 E296 | P91-H292 VanDerWaalsContact C-CD2 3.46Å; P91-H292 WeakPolarHBondContact CB-CE1 3.47Å; P91-H292 WeakPolarHBondContact CB-NE2 3.44Å; P91-H292 PolarHBondContact O-CD2 3.41Å; A92-H292 HydrophobicContact CB-CB 3.92Å; E105-H292 WeakPolarHBondContact CG-CE1 3.43Å; E105-H292 IonicContact OE1-CE1 3.07Å; E105-H292 IonicContact OE1-ND1 2.98Å; E108-H292 IonicContact OE2-CD2 2.76Å; E108-H292 PolarHBondContact OE2-CD2 3.1Å; E108-H292 IonicContact OE2-NE2 3.61Å; E108-H292 PolarHBondContact OE2-NE2 2.76Å; R289-H292 PolarHBondContact O-N 3.31Å; R289-H292 VanDerWaalsContact O-N 3.14Å; Q290-H292 VanDerWaalsContact C-N 3.28Å; Q290-H292 PolarHBondContact O-N 3.41Å; H292-R295 PolarHBondContact O-N 3.17Å; H292-E296 WeakPolarHBondContact O-CG 3.38Å; H292-E296 PolarHBondContact O-N 3.21Å |
| 293 | L | 89.6 | Confident | 88.4 | Confident | 79 Ų | 79 | 94.2 Ų | 94.2 | 41% | 0.414 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -60.7 | -47.4 | 177.5 | -60.4 | -179 | 0 | 0 | 0 | 111.5 | A92 P288 R289 Q290 R295 E296 E297 | A92-L293 HydrophobicContact CB-CD2 3.96Å; P288-L293 HydrophobicContact CB-CD2 4.44Å; P288-L293 HydrophobicContact CG-CD1 4.09Å; P288-L293 HydrophobicContact CG-CD2 4.03Å; P288-L293 HydrophobicContact CG-CG 4.29Å; R289-L293 PolarHBondContact O-N 2.96Å; Q290-L293 PolarHBondContact O-N 3.3Å; Q290-L293 VanDerWaalsContact O-N 3.16Å; L293-R295 VanDerWaalsContact C-N 3.3Å; L293-R295 PolarHBondContact O-N 3.39Å; L293-E296 PolarHBondContact O-N 3.36Å; L293-E297 PolarHBondContact O-N 2.98Å |
| 294 | I | 90.1 | Very high | 88.1 | Confident | 87 Ų | 87 | 97.2 Ų | 97.2 | 45% | 0.446 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -59.6 | -42.5 | 177.3 | -65.3 | 165.3 | 0 | 0 | 0 | 110.5 | Q290 E296 E297 H298 | Q290-I294 WeakPolarHBondContact O-CG1 3.41Å; Q290-I294 PolarHBondContact O-N 3.04Å; I294-E296 VanDerWaalsContact C-N 3.34Å; I294-E296 PolarHBondContact O-N 3.46Å; I294-E297 PolarHBondContact O-N 2.89Å; I294-H298 WeakPolarHBondContact O-CB 3.43Å; I294-H298 PolarHBondContact O-CD2 3.28Å; I294-H298 PolarHBondContact O-N 3.14Å |
| 295 | R | 89 | Confident | 87.3 | Confident | 109 Ų | 109 | 99.3 Ų | 99.3 | 41% | 0.411 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -65.7 | -36.5 | 178.6 | -172.2 | 179.5 | -72.1 | 147.4 | 8 | 112.3 | E105 S291 H292 L293 K299 | E105-R295 IonicContact OE1-CZ 2.61Å; E105-R295 IonicContact OE1-NH1 3.88Å; E105-R295 PolarHBondContact OE1-NH1 3.44Å; E105-R295 IonicContact OE1-NH2 2.77Å; E105-R295 PolarHBondContact OE1-NH2 3.1Å; S291-R295 WeakPolarHBondContact O-CB 3.26Å; S291-R295 PolarHBondContact O-N 2.94Å; S291-R295 VanDerWaalsContact O-N 3.09Å; H292-R295 PolarHBondContact O-N 3.17Å; L293-R295 VanDerWaalsContact C-N 3.3Å; L293-R295 PolarHBondContact O-N 3.39Å; R295-K299 VanDerWaalsContact O-CG 3.32Å; R295-K299 WeakPolarHBondContact O-CG 3.44Å; R295-K299 PolarHBondContact O-N 3.43Å; R295-K299 VanDerWaalsContact O-N 3.11Å |
| 296 | E | 86.2 | Confident | 85.9 | Confident | 57 Ų | 57 | 100 Ų | 100 | 27% | 0.266 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -67.8 | -44.3 | 175.1 | -75.5 | 179.5 | -172.5 | 0 | 0 | 111.8 | T90 H292 L293 I294 H298 K299 L300 | T90-E296 WeakPolarHBondContact CB-OE1 3.29Å; T90-E296 WeakPolarHBondContact CG2-OE1 3.37Å; T90-E296 PolarHBondContact OG1-OE1 2.94Å; H292-E296 WeakPolarHBondContact O-CG 3.38Å; H292-E296 PolarHBondContact O-N 3.21Å; L293-E296 PolarHBondContact O-N 3.36Å; I294-E296 VanDerWaalsContact C-N 3.34Å; I294-E296 PolarHBondContact O-N 3.46Å; E296-H298 PolarHBondContact O-N 3.21Å; E296-K299 WeakPolarHBondContact O-CB 3.49Å; E296-K299 PolarHBondContact O-N 2.9Å; E296-K299 VanDerWaalsContact O-N 3.1Å; E296-L300 WeakPolarHBondContact O-CG 3.19Å; E296-L300 PolarHBondContact O-N 3.09Å |
| 297 | E | 87.9 | Confident | 84.1 | Confident | 107 Ų | 107 | 100.6 Ų | 100.6 | 50% | 0.5 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -58.3 | -48.2 | 175.1 | -172.1 | -180 | -178.6 | 0 | 0 | 111.3 | L293 I294 K299 L300 Q301 | L293-E297 PolarHBondContact O-N 2.98Å; I294-E297 PolarHBondContact O-N 2.89Å; E297-K299 VanDerWaalsContact C-N 3.27Å; E297-K299 PolarHBondContact O-N 3.1Å; E297-L300 PolarHBondContact O-N 3.11Å; E297-L300 VanDerWaalsContact O-N 3.14Å; E297-Q301 WeakPolarHBondContact O-CG 3.25Å; E297-Q301 PolarHBondContact O-N 3.37Å; E297-Q301 PolarHBondContact OE1-NE2 2.96Å |
| 298 | H | 87.9 | Confident | 82.4 | Confident | 96 Ų | 96 | 105.5 Ų | 105.5 | 44% | 0.444 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -59.7 | -35.4 | 175.8 | -80.5 | -136.2 | 0 | 0 | 0 | 112.5 | I294 E296 R302 | I294-H298 WeakPolarHBondContact O-CB 3.43Å; I294-H298 PolarHBondContact O-CD2 3.28Å; I294-H298 PolarHBondContact O-N 3.14Å; E296-H298 PolarHBondContact O-N 3.21Å; H298-R302 WeakPolarHBondContact O-CB 3.48Å; H298-R302 VanDerWaalsContact O-CG 3.25Å; H298-R302 WeakPolarHBondContact O-CG 3.38Å; H298-R302 PolarHBondContact O-N 3.35Å; H298-R302 VanDerWaalsContact O-N 3.1Å |
| 299 | K | 86.1 | Confident | 80.6 | Confident | 130 Ų | 130 | 114.9 Ų | 114.9 | 57% | 0.565 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -68.6 | -41.8 | 175.5 | -78.1 | 174.9 | -178.6 | 179.5 | 0 | 111.9 | R295 E296 E297 R302 A303 | R295-K299 VanDerWaalsContact O-CG 3.32Å; R295-K299 WeakPolarHBondContact O-CG 3.44Å; R295-K299 PolarHBondContact O-N 3.43Å; R295-K299 VanDerWaalsContact O-N 3.11Å; E296-K299 WeakPolarHBondContact O-CB 3.49Å; E296-K299 PolarHBondContact O-N 2.9Å; E296-K299 VanDerWaalsContact O-N 3.1Å; E297-K299 VanDerWaalsContact C-N 3.27Å; E297-K299 PolarHBondContact O-N 3.1Å; K299-R302 PolarHBondContact O-N 3.35Å; K299-A303 WeakPolarHBondContact O-CB 3.42Å; K299-A303 PolarHBondContact O-N 2.96Å |
| 300 | L | 85.2 | Confident | 78.4 | Confident | 118 Ų | 118 | 119.2 Ų | 119.2 | 62% | 0.618 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -66.2 | -45.6 | 177.9 | -70.3 | 171.9 | 0 | 0 | 0 | 111.3 | E296 E297 R302 A303 L304 | E296-L300 WeakPolarHBondContact O-CG 3.19Å; E296-L300 PolarHBondContact O-N 3.09Å; E297-L300 PolarHBondContact O-N 3.11Å; E297-L300 VanDerWaalsContact O-N 3.14Å; L300-R302 VanDerWaalsContact C-N 3.32Å; L300-R302 PolarHBondContact O-N 3.24Å; L300-A303 WeakPolarHBondContact O-CB 3.43Å; L300-A303 PolarHBondContact O-N 3.46Å; L300-L304 WeakPolarHBondContact O-CG 3.34Å; L300-L304 PolarHBondContact O-N 3Å |
| 301 | Q | 84 | Confident | 76.3 | Confident | 93 Ų | 93 | 117.6 Ų | 117.6 | 44% | 0.435 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -56.9 | -46.1 | 174.1 | -70.3 | 178 | 4.5 | 0 | 0 | 111.1 | E297 A303 L304 F305 | E297-Q301 WeakPolarHBondContact O-CG 3.25Å; E297-Q301 PolarHBondContact O-N 3.37Å; E297-Q301 PolarHBondContact OE1-NE2 2.96Å; Q301-A303 VanDerWaalsContact C-N 3.3Å; Q301-A303 PolarHBondContact O-N 3.28Å; Q301-L304 PolarHBondContact O-N 3.35Å; Q301-F305 WeakPolarHBondContact O-CD2 3.46Å; Q301-F305 PolarHBondContact O-N 3.05Å |
| 302 | R | 83.7 | Confident | 74.1 | Confident | 189 Ų | 189 | 122.6 Ų | 122.6 | 71% | 0.713 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -63.6 | -31.7 | 175.4 | -74.9 | 175 | 179.6 | -173.4 | 0.1 | 113.6 | H298 K299 L300 | H298-R302 WeakPolarHBondContact O-CB 3.48Å; H298-R302 VanDerWaalsContact O-CG 3.25Å; H298-R302 WeakPolarHBondContact O-CG 3.38Å; H298-R302 PolarHBondContact O-N 3.35Å; H298-R302 VanDerWaalsContact O-N 3.1Å; K299-R302 PolarHBondContact O-N 3.35Å; L300-R302 VanDerWaalsContact C-N 3.32Å; L300-R302 PolarHBondContact O-N 3.24Å |
| 303 | A | 81.2 | Confident | 72.1 | Confident | 56 Ų | 56 | 126.9 Ų | 126.9 | 46% | 0.463 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -71.9 | -37.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112 | K299 L300 Q301 F305 K306 | K299-A303 WeakPolarHBondContact O-CB 3.42Å; K299-A303 PolarHBondContact O-N 2.96Å; L300-A303 WeakPolarHBondContact O-CB 3.43Å; L300-A303 PolarHBondContact O-N 3.46Å; Q301-A303 VanDerWaalsContact C-N 3.3Å; Q301-A303 PolarHBondContact O-N 3.28Å; A303-F305 VanDerWaalsContact C-N 3.3Å; A303-F305 PolarHBondContact O-N 2.9Å; A303-K306 PolarHBondContact O-N 3.18Å |
| 304 | L | 76.6 | Confident | 70 | Confident | 148 Ų | 148 | 132.6 Ų | 132.6 | 78% | 0.775 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -65.1 | -32.5 | 175.4 | -68.9 | 169.9 | 0 | 0 | 0 | 112.5 | L300 Q301 | L300-L304 WeakPolarHBondContact O-CG 3.34Å; L300-L304 PolarHBondContact O-N 3Å; Q301-L304 PolarHBondContact O-N 3.35Å |
| 305 | F | 69.3 | Low | 67.9 | Low | 184 Ų | 184 | 132.7 Ų | 132.7 | 81% | 0.807 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.9 | 9.9 | 178.7 | -81.1 | -81 | 0 | 0 | 0 | 114.8 | Q301 A303 P307 | Q301-F305 WeakPolarHBondContact O-CD2 3.46Å; Q301-F305 PolarHBondContact O-N 3.05Å; A303-F305 VanDerWaalsContact C-N 3.3Å; A303-F305 PolarHBondContact O-N 2.9Å; F305-P307 WeakPolarHBondContact O-CD 3.43Å |
| 306 | K | 59.8 | Low | 65.6 | Low | 158 Ų | 158 | 132.6 Ų | 132.6 | 69% | 0.687 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -66.5 | 120 | 171.9 | -77.9 | -175.1 | 178.4 | 179.9 | 0 | 109 | A303 I308 | A303-K306 PolarHBondContact O-N 3.18Å; K306-I308 PolarHBondContact O-N 2.98Å |
| 307 | P | 54.9 | Low | 63.7 | Low | 116 Ų | 116 | 135.9 Ų | 135.9 | 75% | 0.753 | 71% | 0.707 | S | S | * | * | trans | -59.2 | 126.3 | -180 | 22.7 | -31.8 | 0 | 0 | 0 | 109.2 | F305 R309 | F305-P307 WeakPolarHBondContact O-CD 3.43Å; P307-R309 PolarHBondContact O-N 2.79Å | ||
| 308 | I | 54.8 | Low | 61.7 | Low | 159 Ų | 159 | 136 Ų | 136 | 82% | 0.815 | 72% | 0.72 | S | S | * | * | trans | -55.7 | 106.2 | 169.6 | -62.9 | 168.4 | 0 | 0 | 0 | 105.9 | K306 K310 | K306-I308 PolarHBondContact O-N 2.98Å; I308-K310 PolarHBondContact O-N 2.97Å | ||
| 309 | R | 55.7 | Low | 59.3 | Low | 236 Ų | 236 | 140.8 Ų | 140.8 | 89% | 0.891 | 74% | 0.74 | S | S | * | * | trans | -61.2 | 110.1 | 167.6 | -74.3 | -172.7 | 177.7 | -167.9 | -0.7 | 105.7 | P307 | P307-R309 PolarHBondContact O-N 2.79Š| ||
| 310 | K | 45 | Very low | 57.2 | Low | 185 Ų | 185 | 140.6 Ų | 140.6 | 80% | 0.804 | 75% | 0.753 | S | S | * | * | trans | -51.4 | 130.7 | 173 | -69.5 | -176.9 | 177.3 | -178.4 | 0 | 107.6 | I308 T312 | I308-K310 PolarHBondContact O-N 2.97Å; K310-T312 PolarHBondContact O-N 3.13Å; K310-T312 VanDerWaalsContact O-N 3.13Å | ||
| 311 | P | 49.3 | Very low | 54.9 | Low | 120 Ų | 120 | 142 Ų | 142 | 78% | 0.779 | 76% | 0.76 | S | S | * | * | trans | -61.1 | 121.8 | 174.2 | 25.5 | -30.8 | 0 | 0 | 0 | 107.4 | S313 | P311-S313 PolarHBondContact O-N 3.04Š| ||
| 312 | T | 48.3 | Very low | 52.8 | Low | 144 Ų | 144 | 142.6 Ų | 142.6 | 88% | 0.883 | 77% | 0.773 | S | S | * | * | trans | -62.4 | 107.4 | 168.8 | 39.2 | 0 | 0 | 0 | 0 | 107.8 | K310 | K310-T312 PolarHBondContact O-N 3.13Å; K310-T312 VanDerWaalsContact O-N 3.13Å | ||
| 313 | S | 49.4 | Very low | 50.8 | Low | 93 Ų | 93 | 143.1 Ų | 143.1 | 65% | 0.65 | 78% | 0.78 | S | S | * | * | trans | -65.8 | 152.1 | 169.8 | 54.6 | 0 | 0 | 0 | 0 | 111.2 | P311 | P311-S313 PolarHBondContact O-N 3.04Š| ||
| 314 | F | 46.3 | Very low | 48.7 | Very low | 199 Ų | 199 | 149.4 Ų | 149.4 | 87% | 0.873 | 80% | 0.8 | S | S | * | * | trans | 85.9 | 95.1 | 168.8 | -72 | -91 | 0 | 0 | 0 | 118.1 | ||||
| 315 | A | 45 | Very low | 46.9 | Very low | 89 Ų | 89 | 153.6 Ų | 153.6 | 74% | 0.736 | 81% | 0.805 | S | S | * | * | -157.8 | 99.8 | 110.7 | 0 | 0 | 0 | 0 | 0 | 108.6 | T317 | A315-T317 PolarHBondContact O-N 3.24Š| |||
| 316 | A | 41.8 | Very low | 45.5 | Very low | 107 Ų | 107 | 149.5 Ų | 149.5 | 88% | 0.884 | 80% | 0.8 | S | S | * | * | trans | -66.4 | 113.2 | 164.3 | 0 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 317 | T | 44.4 | Very low | 44.3 | Very low | 127 Ų | 127 | 151.9 Ų | 151.9 | 78% | 0.779 | 81% | 0.81 | S | S | * | * | trans | -129.7 | 130.1 | 163 | -27.1 | 0 | 0 | 0 | 0 | 108.1 | A315 | A315-T317 PolarHBondContact O-N 3.24Š| ||
| 318 | S | 46.8 | Very low | 43.6 | Very low | 108 Ų | 108 | 150.5 Ų | 150.5 | 76% | 0.755 | 81% | 0.809 | S | S | * | * | trans | -59.1 | 143.9 | -164 | 50.4 | 0 | 0 | 0 | 0 | 115 | C320 | S318-C320 PolarHBondContact O-N 3.47Š| ||
| 319 | F | 37.9 | Very low | 42.6 | Very low | 198 Ų | 198 | 152.4 Ų | 152.4 | 87% | 0.868 | 81% | 0.812 | S | S | * | * | trans | -39 | 126.9 | 158.7 | -102.7 | -109.2 | 0 | 0 | 0 | 113 | ||||
| 320 | C | 41.7 | Very low | 41.7 | Very low | 126 Ų | 126 | 148.4 Ų | 148.4 | 85% | 0.851 | 81% | 0.807 | S | S | * | * | trans | -152.5 | 100.1 | 147.8 | -142.6 | 0 | 0 | 0 | 0 | 108.9 | S318 | S318-C320 PolarHBondContact O-N 3.47Š| ||
| 321 | L | 36.3 | Very low | 41.3 | Very low | 146 Ų | 146 | 147.1 Ų | 147.1 | 76% | 0.764 | 80% | 0.804 | S | S | * | * | trans | -92.6 | 142.4 | 154.8 | -85.9 | 157.6 | 0 | 0 | 0 | 105.2 | ||||
| 322 | P | 40.2 | Very low | 40.9 | Very low | 107 Ų | 107 | 150.5 Ų | 150.5 | 70% | 0.695 | 81% | 0.809 | S | S | * | * | -160.3 | 179.8 | 72.2 | 42.9 | -22.1 | 0 | 0 | 0 | 117.8 | |||||
| 323 | K | 42.2 | Very low | 40.4 | Very low | 200 Ų | 200 | 152.8 Ų | 152.8 | 87% | 0.87 | 81% | 0.81 | S | S | * | * | trans | 92.8 | 120.9 | 149.1 | -80.6 | 175.3 | -178.3 | 179.5 | 0 | 120.4 | ||||
| 324 | Q | 37.8 | Very low | 40.2 | Very low | 188 Ų | 188 | 153.5 Ų | 153.5 | 88% | 0.879 | 82% | 0.815 | S | S | * | * | trans | -54.9 | 147.6 | 168 | -65.3 | 168.5 | -43.9 | 0 | 0 | 114.4 | ||||
| 325 | R | 38.8 | Very low | 39.9 | Very low | 235 Ų | 235 | 155 Ų | 155 | 89% | 0.887 | 82% | 0.815 | S | S | * | * | trans | 161.1 | 109.4 | 135.1 | -92.5 | 174.5 | 176.5 | -164.3 | -1.5 | 108 | ||||
| 326 | S | 38.3 | Very low | 39.6 | Very low | 98 Ų | 98 | 162.3 Ų | 162.3 | 69% | 0.685 | 82% | 0.823 | S | S | * | * | 96.3 | 120 | 82.8 | 77.5 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 327 | F | 34.9 | Very low | 39.6 | Very low | 208 Ų | 208 | 167.3 Ų | 167.3 | 91% | 0.912 | 83% | 0.825 | S | S | * | * | trans | 80.7 | 146.3 | 139.7 | -94.7 | -95.3 | 0 | 0 | 0 | 123.7 | ||||
| 328 | A | 40.8 | Very low | 39.4 | Very low | 87 Ų | 87 | 170.4 Ų | 170.4 | 72% | 0.719 | 83% | 0.831 | S | S | * | * | trans | 77.8 | 112.8 | 157.3 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 329 | F | 34.1 | Very low | 39.2 | Very low | 200 Ų | 200 | 177.1 Ų | 177.1 | 88% | 0.877 | 86% | 0.857 | S | S | * | * | 73.3 | 103.2 | 58.1 | -143.5 | -77.9 | 0 | 0 | 0 | 113.7 | |||||
| 330 | L | 36.6 | Very low | 39.3 | Very low | 152 Ų | 152 | 176.1 Ų | 176.1 | 80% | 0.796 | 86% | 0.856 | S | S | * | * | trans | -171 | 102.4 | 157 | -98.8 | 137.1 | 0 | 0 | 0 | 106.1 | ||||
| 331 | Q | 37.2 | Very low | 39.1 | Very low | 158 Ų | 158 | 178.7 Ų | 178.7 | 74% | 0.738 | 86% | 0.856 | S | S | * | * | 59.3 | 112.2 | 87.7 | -164.4 | 176.9 | 32.2 | 0 | 0 | 112.5 | |||||
| 332 | Q | 40 | Very low | 39.3 | Very low | 190 Ų | 190 | 180.5 Ų | 180.5 | 89% | 0.888 | 86% | 0.862 | S | S | * | * | -175 | 126 | 113.8 | -146.3 | 149.8 | 13.6 | 0 | 0 | 111.6 | |||||
| 333 | Q | 38.7 | Very low | 39.2 | Very low | 192 Ų | 192 | 184.8 Ų | 184.8 | 90% | 0.897 | 87% | 0.871 | S | S | * | * | trans | -79.1 | 146.8 | 164.5 | -72.5 | -166.5 | -10.5 | 0 | 0 | 110.6 | ||||
| 334 | S | 44.2 | Very low | 39 | Very low | 109 Ų | 109 | 183.9 Ų | 183.9 | 76% | 0.762 | 87% | 0.871 | S | S | * | * | trans | -151.6 | 108.1 | 154.6 | -175.8 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 335 | R | 41.1 | Very low | 39.1 | Very low | 231 Ų | 231 | 183.6 Ų | 183.6 | 87% | 0.872 | 87% | 0.871 | S | S | * | * | trans | 50.5 | 116.9 | 133.8 | -64.8 | -175.6 | 169.4 | -165.4 | -2.3 | 122.1 | ||||
| 336 | R | 37.9 | Very low | 39.2 | Very low | 242 Ų | 242 | 179.9 Ų | 179.9 | 91% | 0.913 | 87% | 0.87 | S | S | * | * | 31.1 | 131.2 | 121.1 | -81.7 | -176.9 | 170.8 | -178.7 | -2.5 | 119.2 | |||||
| 337 | K | 42.1 | Very low | 39.2 | Very low | 212 Ų | 212 | 186.2 Ų | 186.2 | 92% | 0.922 | 88% | 0.884 | S | S | * | * | -167.7 | 145.7 | 106.5 | -102.6 | 179 | -177.7 | -172 | 0 | 112.5 | |||||
| 338 | Q | 39.5 | Very low | 39.6 | Very low | 191 Ų | 191 | 184.4 Ų | 184.4 | 89% | 0.893 | 88% | 0.882 | S | S | * | * | trans | -71.5 | 153.4 | 176.3 | -70.4 | 172.7 | -42.6 | 0 | 0 | 112.8 | ||||
| 339 | L | 42.8 | Very low | 39.5 | Very low | 249 Ų | 249 | 193.3 Ų | 193.3 | 100% | 1.304 | 90% | 0.896 | S | S | * | * | -125 | 0 | 126.1 | -94.8 | 162.6 | 0 | 0 | 0 | 107.6 |
Retrieved 339 of 339 residues in 749.3 ms
(Link to these results)