| 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 | 80.5 | Confident | 94 | Very high | 101 Ų | 101 | 58.6 Ų | 58.6 | 50% | 0.498 | 31% | 0.314 | S | S | . | . | 0 | 145 | 0 | -164.8 | 175 | -71.1 | 0 | 0 | 107.2 | I5 E6 L9 E39 | M1-I5 HydrophobicContact CG-CB 3.8Å; M1-I5 HydrophobicContact CG-CG2 3.45Å; M1-I5 VanDerWaalsContact CG-CG2 3.45Å; M1-I5 HydrophobicContact SD-CB 4.45Å; M1-I5 HydrophobicContact SD-CG2 3.64Å; M1-E6 HydrophobicContact CB-CG 4.2Å; M1-E6 HydrophobicContact CG-CG 4.01Å; M1-E6 HydrophobicContact SD-CG 3.82Å; M1-L9 HydrophobicContact CE-CD1 3.98Å; M1-L9 HydrophobicContact SD-CD1 3.63Å; M1-E39 HydrophobicContact CE-CB 4.27Å; M1-E39 HydrophobicContact CE-CG 3.53Å; M1-E39 WeakPolarHBondContact CE-OE1 3.41Å | |||
| 2 | S | 92.9 | Very high | 93.8 | Very high | 30 Ų | 30 | 57.3 Ų | 57.3 | 21% | 0.21 | 31% | 0.307 | C | S | . | . | trans | -78.8 | 159.5 | 177.3 | 65.3 | 0 | 0 | 0 | 0 | 111 | L4 I5 E6 E36 | S2-L4 VanDerWaalsContact C-N 3.26Å; S2-L4 PolarHBondContact O-N 3.49Å; S2-I5 PolarHBondContact O-N 3.34Å; S2-I5 WeakPolarHBondContact OG-CG1 3.49Å; S2-I5 PolarHBondContact OG-N 3.24Å; S2-E6 WeakPolarHBondContact O-CG 3.4Å; S2-E6 PolarHBondContact O-N 3.05Å; S2-E36 VanDerWaalsContact CB-CD 3.43Å; S2-E36 WeakPolarHBondContact CB-OE2 3.43Å; S2-E36 VanDerWaalsContact OG-CD 3.31Å; S2-E36 PolarHBondContact OG-OE2 3.37Å | ||
| 3 | Q | 95 | Very high | 93.7 | Very high | 128 Ų | 128 | 58.5 Ų | 58.5 | 60% | 0.598 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -59.3 | -38 | 177.5 | -173.9 | -178.5 | 6.7 | 0 | 0 | 111.9 | E6 L7 L19 | Q3-E6 PolarHBondContact O-N 2.81Å; Q3-L7 HydrophobicContact CG-CD1 4.4Å; Q3-L7 VanDerWaalsContact O-CG 3.29Å; Q3-L7 WeakPolarHBondContact O-CG 3.45Å; Q3-L7 PolarHBondContact O-N 2.86Å; Q3-L7 VanDerWaalsContact O-N 3.08Å; Q3-L19 HydrophobicContact CB-CD2 4.43Å; Q3-L19 HydrophobicContact CG-CD2 4.16Å |
| 4 | L | 96.8 | Very high | 93.7 | Very high | 2 Ų | 2 | 63.4 Ų | 63.4 | 1% | 0.01 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -63.6 | -47.9 | 178.8 | -178.7 | 64.5 | 0 | 0 | 0 | 111.1 | S2 E6 L7 I8 I16 L19 L20 M34 E36 A44 F48 | S2-L4 VanDerWaalsContact C-N 3.26Å; S2-L4 PolarHBondContact O-N 3.49Å; L4-E6 VanDerWaalsContact C-N 3.33Å; L4-E6 PolarHBondContact O-N 3.44Å; L4-L7 PolarHBondContact O-N 3.08Å; L4-L7 VanDerWaalsContact O-N 3.17Å; L4-I8 HydrophobicContact CD1-CD1 4.45Å; L4-I8 HydrophobicContact CG-CD1 3.96Å; L4-I8 HydrophobicContact CG-CG1 4.48Å; L4-I8 VanDerWaalsContact O-CG1 3.28Å; L4-I8 WeakPolarHBondContact O-CG1 3.42Å; L4-I8 PolarHBondContact O-N 3.09Å; L4-I16 HydrophobicContact CD1-CG2 4.3Å; L4-L19 HydrophobicContact CB-CD2 3.93Å; L4-L19 HydrophobicContact CD1-CD2 3.97Å; L4-L20 HydrophobicContact CD1-CD2 3.85Å; L4-L20 HydrophobicContact CD1-CG 4.06Å; L4-L20 HydrophobicContact CD2-CD2 4.08Å; L4-M34 HydrophobicContact CD2-CE 4.24Å; L4-E36 WeakPolarHBondContact CB-OE2 3.48Å; L4-A44 HydrophobicContact CD2-CB 4.25Å; L4-F48 HydrophobicContact CD1-CZ 4.1Å; L4-F48 HydrophobicContact CD2-CE2 4.29Å; L4-F48 HydrophobicContact CG-CZ 4.48Å |
| 5 | I | 97.2 | Very high | 93.8 | Very high | 0 Ų | 0 | 66.3 Ų | 66.3 | 0% | 0 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -61.4 | -43.1 | 178.7 | -65 | -71.8 | 0 | 0 | 0 | 110.9 | M1 S2 L7 I8 L9 E36 D38 A44 L47 | M1-I5 HydrophobicContact CG-CB 3.8Å; M1-I5 HydrophobicContact CG-CG2 3.45Å; M1-I5 VanDerWaalsContact CG-CG2 3.45Å; M1-I5 HydrophobicContact SD-CB 4.45Å; M1-I5 HydrophobicContact SD-CG2 3.64Å; S2-I5 PolarHBondContact O-N 3.34Å; S2-I5 WeakPolarHBondContact OG-CG1 3.49Å; S2-I5 PolarHBondContact OG-N 3.24Å; I5-L7 VanDerWaalsContact C-N 3.29Å; I5-L7 PolarHBondContact O-N 3.16Å; I5-I8 HydrophobicContact CD1-CD1 4.35Å; I5-I8 PolarHBondContact O-N 2.97Å; I5-L9 HydrophobicContact CG2-CD1 4.02Å; I5-L9 HydrophobicContact CG2-CG 4.28Å; I5-L9 WeakPolarHBondContact O-CG 3.38Å; I5-L9 PolarHBondContact O-N 3.41Å; I5-E36 HydrophobicContact CD1-CB 4.38Å; I5-E36 HydrophobicContact CG1-CB 3.99Å; I5-D38 HydrophobicContact CG2-CB 3.71Å; I5-A44 HydrophobicContact CD1-CB 3.79Å; I5-L47 HydrophobicContact CD1-CD1 3.75Å |
| 6 | E | 96.3 | Very high | 94 | Very high | 88 Ų | 88 | 62.6 Ų | 62.6 | 41% | 0.411 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -57 | -43.3 | 175.5 | -72.7 | 174.6 | -169.6 | 0 | 0 | 111.9 | M1 S2 Q3 L4 L9 Q10 | M1-E6 HydrophobicContact CB-CG 4.2Å; M1-E6 HydrophobicContact CG-CG 4.01Å; M1-E6 HydrophobicContact SD-CG 3.82Å; S2-E6 WeakPolarHBondContact O-CG 3.4Å; S2-E6 PolarHBondContact O-N 3.05Å; Q3-E6 PolarHBondContact O-N 2.81Å; L4-E6 VanDerWaalsContact C-N 3.33Å; L4-E6 PolarHBondContact O-N 3.44Å; E6-L9 PolarHBondContact O-N 2.72Å; E6-Q10 WeakPolarHBondContact O-CB 3.46Å; E6-Q10 WeakPolarHBondContact O-CG 3.39Å; E6-Q10 PolarHBondContact O-N 3.24Å |
| 7 | L | 97 | Very high | 94 | Very high | 14 Ų | 14 | 65.2 Ų | 65.2 | 7% | 0.073 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -68.2 | -38.7 | 177.8 | -67.8 | 176.2 | 0 | 0 | 0 | 112.8 | Q3 L4 I5 Q10 G11 D12 K15 I16 L19 | Q3-L7 HydrophobicContact CG-CD1 4.4Å; Q3-L7 VanDerWaalsContact O-CG 3.29Å; Q3-L7 WeakPolarHBondContact O-CG 3.45Å; Q3-L7 PolarHBondContact O-N 2.86Å; Q3-L7 VanDerWaalsContact O-N 3.08Å; L4-L7 PolarHBondContact O-N 3.08Å; L4-L7 VanDerWaalsContact O-N 3.17Å; I5-L7 VanDerWaalsContact C-N 3.29Å; I5-L7 PolarHBondContact O-N 3.16Å; L7-Q10 PolarHBondContact O-N 2.92Å; L7-G11 PolarHBondContact O-N 3.15Å; L7-G11 VanDerWaalsContact O-N 3.08Å; L7-D12 PolarHBondContact O-N 3.28Å; L7-K15 HydrophobicContact CD1-CB 3.93Å; L7-K15 HydrophobicContact CD2-CB 3.67Å; L7-K15 HydrophobicContact CD2-CD 3.65Å; L7-K15 HydrophobicContact CD2-CG 4.34Å; L7-K15 HydrophobicContact CG-CB 4.37Å; L7-I16 HydrophobicContact CB-CG1 3.7Å; L7-L19 HydrophobicContact CD1-CB 4.2Å; L7-L19 HydrophobicContact CD1-CD2 3.77Å |
| 8 | I | 96.9 | Very high | 94.1 | Very high | 7 Ų | 7 | 69.9 Ų | 69.9 | 4% | 0.036 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -59.2 | -48.9 | 174 | -68.8 | 168.5 | 0 | 0 | 0 | 110.2 | L4 I5 Q10 G11 I16 A44 L47 F48 L51 | L4-I8 HydrophobicContact CD1-CD1 4.45Å; L4-I8 HydrophobicContact CG-CD1 3.96Å; L4-I8 HydrophobicContact CG-CG1 4.48Å; L4-I8 VanDerWaalsContact O-CG1 3.28Å; L4-I8 WeakPolarHBondContact O-CG1 3.42Å; L4-I8 PolarHBondContact O-N 3.09Å; I5-I8 HydrophobicContact CD1-CD1 4.35Å; I5-I8 PolarHBondContact O-N 2.97Å; I8-Q10 VanDerWaalsContact C-N 3.3Å; I8-Q10 PolarHBondContact O-N 3.02Å; I8-G11 PolarHBondContact O-N 2.94Å; I8-I16 HydrophobicContact CG1-CD1 4.13Å; I8-A44 HydrophobicContact CD1-CB 3.95Å; I8-L47 HydrophobicContact CG2-CB 3.67Å; I8-L47 HydrophobicContact CG2-CD1 3.92Å; I8-L47 HydrophobicContact CG2-CG 4.38Å; I8-F48 HydrophobicContact CD1-CD1 4.39Å; I8-F48 HydrophobicContact CD1-CD2 4.24Å; I8-F48 HydrophobicContact CD1-CE1 3.79Å; I8-F48 HydrophobicContact CD1-CE2 3.61Å; I8-F48 HydrophobicContact CD1-CZ 3.36Å; I8-F48 HydrophobicContact CG1-CD1 4.44Å; I8-F48 HydrophobicContact CG1-CE1 3.65Å; I8-F48 HydrophobicContact CG1-CE2 4.36Å; I8-F48 HydrophobicContact CG1-CZ 3.61Å; I8-L51 HydrophobicContact CG2-CD1 3.72Å |
| 9 | L | 94.5 | Very high | 94.1 | Very high | 97 Ų | 97 | 66.9 Ų | 66.9 | 51% | 0.508 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -67.9 | -29.4 | -179.4 | -65.2 | 178.6 | 0 | 0 | 0 | 112.8 | M1 I5 E6 G11 D38 | M1-L9 HydrophobicContact CE-CD1 3.98Å; M1-L9 HydrophobicContact SD-CD1 3.63Å; I5-L9 HydrophobicContact CG2-CD1 4.02Å; I5-L9 HydrophobicContact CG2-CG 4.28Å; I5-L9 WeakPolarHBondContact O-CG 3.38Å; I5-L9 PolarHBondContact O-N 3.41Å; E6-L9 PolarHBondContact O-N 2.72Å; L9-G11 VanDerWaalsContact C-N 3.29Å; L9-D38 HydrophobicContact CD1-CB 4.47Å |
| 10 | Q | 94.5 | Very high | 94.2 | Very high | 129 Ų | 129 | 63.9 Ų | 63.9 | 60% | 0.603 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -75.6 | -16.7 | 172.6 | -72.4 | 170.4 | 17.2 | 0 | 0 | 113.2 | E6 L7 I8 D12 | E6-Q10 WeakPolarHBondContact O-CB 3.46Å; E6-Q10 WeakPolarHBondContact O-CG 3.39Å; E6-Q10 PolarHBondContact O-N 3.24Å; L7-Q10 PolarHBondContact O-N 2.92Å; I8-Q10 VanDerWaalsContact C-N 3.3Å; I8-Q10 PolarHBondContact O-N 3.02Å; Q10-D12 VanDerWaalsContact C-N 3.28Å; Q10-D12 PolarHBondContact O-N 2.81Å |
| 11 | G | 92.2 | Very high | 94.1 | Very high | 49 Ų | 49 | 67.1 Ų | 67.1 | 51% | 0.505 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 69.4 | 22 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | L7 I8 L9 S13 | L7-G11 PolarHBondContact O-N 3.15Å; L7-G11 VanDerWaalsContact O-N 3.08Å; I8-G11 PolarHBondContact O-N 2.94Å; L9-G11 VanDerWaalsContact C-N 3.29Å; G11-S13 PolarHBondContact O-N 2.86Å |
| 12 | D | 92 | Very high | 94.7 | Very high | 43 Ų | 43 | 69 Ų | 69 | 23% | 0.23 | 35% | 0.35 | C | S | . | . | trans | -84.8 | 77.7 | -177.7 | -166.5 | -33.4 | 0 | 0 | 0 | 110.9 | L7 Q10 D14 K15 I16 | L7-D12 PolarHBondContact O-N 3.28Å; Q10-D12 VanDerWaalsContact C-N 3.28Å; Q10-D12 PolarHBondContact O-N 2.81Å; D12-D14 PolarHBondContact O-N 2.8Å; D12-K15 HydrophobicContact CB-CB 4.17Å; D12-K15 HydrophobicContact CB-CD 4.39Å; D12-K15 HydrophobicContact CB-CG 4.47Å; D12-K15 PolarHBondContact O-N 3.35Å; D12-K15 VanDerWaalsContact O-N 3.13Å; D12-K15 WeakPolarHBondContact OD1-CB 3.25Å; D12-K15 WeakPolarHBondContact OD1-CG 3.3Å; D12-K15 PolarHBondContact OD1-N 3.13Å; D12-K15 WeakPolarHBondContact OD2-CD 3.16Å; D12-K15 WeakPolarHBondContact OD2-CE 3.45Å; D12-K15 WeakPolarHBondContact OD2-CG 3.36Å; D12-K15 IonicContact OD2-NZ 2.81Å; D12-K15 PolarHBondContact OD2-NZ 3.34Å; D12-I16 VanDerWaalsContact O-CG1 3.3Å; D12-I16 WeakPolarHBondContact O-CG1 3.45Å; D12-I16 PolarHBondContact O-N 2.8Å | ||
| 13 | S | 91.8 | Very high | 94.7 | Very high | 73 Ų | 73 | 70.2 Ų | 70.2 | 51% | 0.51 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -53.3 | -36.5 | -176.7 | -61 | 0 | 0 | 0 | 0 | 113.7 | G11 I16 Q17 | G11-S13 PolarHBondContact O-N 2.86Å; S13-I16 PolarHBondContact O-N 2.9Å; S13-Q17 WeakPolarHBondContact O-CB 3.18Å; S13-Q17 WeakPolarHBondContact O-CG 3.38Å; S13-Q17 PolarHBondContact O-N 3.03Å |
| 14 | D | 94 | Very high | 94.4 | Very high | 127 Ų | 127 | 68.8 Ų | 68.8 | 68% | 0.679 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -68.9 | -44.3 | -179.9 | -73.9 | -19.7 | 0 | 0 | 0 | 111.2 | D12 Q17 K18 | D12-D14 PolarHBondContact O-N 2.8Å; D14-Q17 PolarHBondContact O-N 2.78Å; D14-K18 WeakPolarHBondContact O-CB 3.31Å; D14-K18 PolarHBondContact O-N 2.76Å |
| 15 | K | 96 | Very high | 94.1 | Very high | 106 Ų | 106 | 78.5 Ų | 78.5 | 46% | 0.461 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -67.8 | -38.2 | 174.9 | -72.5 | -174.6 | -166.1 | 133.4 | 0 | 112.1 | L7 D12 K18 L19 | L7-K15 HydrophobicContact CD1-CB 3.93Å; L7-K15 HydrophobicContact CD2-CB 3.67Å; L7-K15 HydrophobicContact CD2-CD 3.65Å; L7-K15 HydrophobicContact CD2-CG 4.34Å; L7-K15 HydrophobicContact CG-CB 4.37Å; D12-K15 HydrophobicContact CB-CB 4.17Å; D12-K15 HydrophobicContact CB-CD 4.39Å; D12-K15 HydrophobicContact CB-CG 4.47Å; D12-K15 PolarHBondContact O-N 3.35Å; D12-K15 VanDerWaalsContact O-N 3.13Å; D12-K15 WeakPolarHBondContact OD1-CB 3.25Å; D12-K15 WeakPolarHBondContact OD1-CG 3.3Å; D12-K15 PolarHBondContact OD1-N 3.13Å; D12-K15 WeakPolarHBondContact OD2-CD 3.16Å; D12-K15 WeakPolarHBondContact OD2-CE 3.45Å; D12-K15 WeakPolarHBondContact OD2-CG 3.36Å; D12-K15 IonicContact OD2-NZ 2.81Å; D12-K15 PolarHBondContact OD2-NZ 3.34Å; K15-K18 PolarHBondContact O-N 3.44Å; K15-L19 WeakPolarHBondContact O-CB 3.23Å; K15-L19 PolarHBondContact O-N 2.66Å |
| 16 | I | 96.3 | Very high | 94 | Very high | 7 Ų | 7 | 82 Ų | 82 | 4% | 0.036 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -58 | -51.5 | 174.3 | -66.6 | 167.3 | 0 | 0 | 0 | 109.7 | L4 L7 I8 D12 S13 K18 L19 L20 F48 I56 | L4-I16 HydrophobicContact CD1-CG2 4.3Å; L7-I16 HydrophobicContact CB-CG1 3.7Å; I8-I16 HydrophobicContact CG1-CD1 4.13Å; D12-I16 VanDerWaalsContact O-CG1 3.3Å; D12-I16 WeakPolarHBondContact O-CG1 3.45Å; D12-I16 PolarHBondContact O-N 2.8Å; S13-I16 PolarHBondContact O-N 2.9Å; I16-K18 VanDerWaalsContact C-N 3.31Å; I16-K18 PolarHBondContact O-N 2.84Å; I16-L19 PolarHBondContact O-N 3.4Å; I16-L20 HydrophobicContact CG2-CD1 3.82Å; I16-L20 HydrophobicContact CG2-CG 4.32Å; I16-L20 WeakPolarHBondContact O-CB 3.46Å; I16-L20 WeakPolarHBondContact O-CG 3.43Å; I16-L20 PolarHBondContact O-N 2.98Å; I16-F48 HydrophobicContact CG2-CE1 3.84Å; I16-F48 HydrophobicContact CG2-CZ 3.88Å; I16-I56 HydrophobicContact CG2-CD1 3.89Å |
| 17 | Q | 94.1 | Very high | 93.8 | Very high | 107 Ų | 107 | 80.9 Ų | 80.9 | 50% | 0.5 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -61.8 | -39.8 | 178.9 | -74 | -178.8 | 26.6 | 0 | 0 | 112.2 | S13 D14 K21 | S13-Q17 WeakPolarHBondContact O-CB 3.18Å; S13-Q17 WeakPolarHBondContact O-CG 3.38Å; S13-Q17 PolarHBondContact O-N 3.03Å; D14-Q17 PolarHBondContact O-N 2.78Å; Q17-K21 VanDerWaalsContact O-CG 3.28Å; Q17-K21 WeakPolarHBondContact O-CG 3.49Å; Q17-K21 PolarHBondContact O-N 2.92Å |
| 18 | K | 95.1 | Very high | 93.7 | Very high | 150 Ų | 150 | 86.2 Ų | 86.2 | 65% | 0.652 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -63.4 | -46.3 | 177.4 | -173.3 | 179.9 | 176.4 | -175 | 0 | 111.6 | D14 K15 I16 K21 | D14-K18 WeakPolarHBondContact O-CB 3.31Å; D14-K18 PolarHBondContact O-N 2.76Å; K15-K18 PolarHBondContact O-N 3.44Å; I16-K18 VanDerWaalsContact C-N 3.31Å; I16-K18 PolarHBondContact O-N 2.84Å; K18-K21 PolarHBondContact O-N 2.9Å |
| 19 | L | 95.6 | Very high | 93.6 | Very high | 13 Ų | 13 | 86.6 Ų | 86.6 | 7% | 0.068 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -62.4 | -47.4 | 177 | -178.7 | 64.9 | 0 | 0 | 0 | 110.7 | Q3 L4 L7 K15 I16 K21 E22 | Q3-L19 HydrophobicContact CB-CD2 4.43Å; Q3-L19 HydrophobicContact CG-CD2 4.16Å; L4-L19 HydrophobicContact CB-CD2 3.93Å; L4-L19 HydrophobicContact CD1-CD2 3.97Å; L7-L19 HydrophobicContact CD1-CB 4.2Å; L7-L19 HydrophobicContact CD1-CD2 3.77Å; K15-L19 WeakPolarHBondContact O-CB 3.23Å; K15-L19 PolarHBondContact O-N 2.66Å; I16-L19 PolarHBondContact O-N 3.4Å; L19-K21 PolarHBondContact O-N 3.3Å; L19-E22 VanDerWaalsContact O-CB 3.26Å; L19-E22 WeakPolarHBondContact O-CB 3.35Å; L19-E22 WeakPolarHBondContact O-CG 3.42Å; L19-E22 PolarHBondContact O-N 2.92Å |
| 20 | L | 95 | Very high | 93.7 | Very high | 7 Ų | 7 | 82.1 Ų | 82.1 | 4% | 0.037 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -68 | -21.4 | -178.4 | -70.5 | -179.1 | 0 | 0 | 0 | 114.2 | L4 I16 E22 Y23 Y30 M34 F48 I56 | L4-L20 HydrophobicContact CD1-CD2 3.85Å; L4-L20 HydrophobicContact CD1-CG 4.06Å; L4-L20 HydrophobicContact CD2-CD2 4.08Å; I16-L20 HydrophobicContact CG2-CD1 3.82Å; I16-L20 HydrophobicContact CG2-CG 4.32Å; I16-L20 WeakPolarHBondContact O-CB 3.46Å; I16-L20 WeakPolarHBondContact O-CG 3.43Å; I16-L20 PolarHBondContact O-N 2.98Å; L20-E22 VanDerWaalsContact C-N 3.27Å; L20-Y23 HydrophobicContact CD2-CD2 4.11Å; L20-Y23 HydrophobicContact CD2-CE2 4.26Å; L20-Y23 PolarHBondContact O-N 2.9Å; L20-Y30 HydrophobicContact CB-CE2 4.16Å; L20-Y30 HydrophobicContact CD1-CE2 4.39Å; L20-Y30 HydrophobicContact CD2-CD2 4.36Å; L20-Y30 HydrophobicContact CD2-CE2 4.06Å; L20-Y30 HydrophobicContact CG-CE2 4.44Å; L20-M34 HydrophobicContact CD2-CE 4.01Å; L20-F48 HydrophobicContact CD1-CZ 4.16Å; L20-I56 HydrophobicContact CD1-CD1 3.55Å; L20-I56 HydrophobicContact CD1-CG1 3.86Å; L20-I56 HydrophobicContact CD1-CG2 3.9Å |
| 21 | K | 92.9 | Very high | 93.8 | Very high | 131 Ų | 131 | 77 Ų | 77 | 57% | 0.57 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -69.4 | -23.1 | 170.8 | -81.4 | 174.4 | -179.9 | 176.8 | 0 | 112.9 | Q17 K18 L19 Y23 D24 | Q17-K21 VanDerWaalsContact O-CG 3.28Å; Q17-K21 WeakPolarHBondContact O-CG 3.49Å; Q17-K21 PolarHBondContact O-N 2.92Å; K18-K21 PolarHBondContact O-N 2.9Å; L19-K21 PolarHBondContact O-N 3.3Å; K21-Y23 PolarHBondContact O-N 3.42Å; K21-D24 VanDerWaalsContact O-CB 3.3Å; K21-D24 WeakPolarHBondContact O-CB 3.27Å; K21-D24 VanDerWaalsContact O-CG 3.29Å; K21-D24 PolarHBondContact O-N 3.22Å |
| 22 | E | 93.4 | Very high | 93.9 | Very high | 140 Ų | 140 | 80.1 Ų | 80.1 | 65% | 0.654 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -63.8 | -27 | 176 | -59.3 | -178.5 | 179.9 | 0 | 0 | 111.1 | L19 L20 | L19-E22 VanDerWaalsContact O-CB 3.26Å; L19-E22 WeakPolarHBondContact O-CB 3.35Å; L19-E22 WeakPolarHBondContact O-CG 3.42Å; L19-E22 PolarHBondContact O-N 2.92Å; L20-E22 VanDerWaalsContact C-N 3.27Å |
| 23 | Y | 92.4 | Very high | 94.1 | Very high | 57 Ų | 57 | 78.1 Ų | 78.1 | 22% | 0.224 | 38% | 0.382 | C | S | . | . | G | 310 helix | trans | -85.2 | 6.8 | 174.1 | -57.1 | -68.7 | 0 | 0 | 0 | 114.7 | L20 K21 K25 D26 G29 Y30 | L20-Y23 HydrophobicContact CD2-CD2 4.11Å; L20-Y23 HydrophobicContact CD2-CE2 4.26Å; L20-Y23 PolarHBondContact O-N 2.9Å; K21-Y23 PolarHBondContact O-N 3.42Å; Y23-K25 PolarHBondContact O-N 3.45Å; Y23-D26 CarbonylContact O-C 3.51Å; Y23-D26 PolarHBondContact O-N 3.4Å; Y23-G29 VanDerWaalsContact CD1-C 3.48Å; Y23-Y30 HydrophobicContact CD2-CD2 4.42Å |
| 24 | D | 88.1 | Confident | 94.4 | Very high | 98 Ų | 98 | 74.6 Ų | 74.6 | 52% | 0.524 | 36% | 0.358 | S | S | . | . | G | 310 helix | trans | -58.6 | -24.5 | -177.3 | -83.5 | -9.7 | 0 | 0 | 0 | 113.6 | K21 K59 | K21-D24 VanDerWaalsContact O-CB 3.3Å; K21-D24 WeakPolarHBondContact O-CB 3.27Å; K21-D24 VanDerWaalsContact O-CG 3.29Å; K21-D24 PolarHBondContact O-N 3.22Å; D24-K59 IonicContact OD1-NZ 3.28Å; D24-K59 PolarHBondContact OD1-NZ 2.99Å |
| 25 | K | 90.7 | Very high | 94.4 | Very high | 205 Ų | 205 | 69.5 Ų | 69.5 | 89% | 0.891 | 33% | 0.331 | S | S | * | . | G | 310 helix | trans | -107.8 | 6.6 | 175.8 | -62 | -177.7 | -177.7 | 177.3 | 0 | 113.4 | Y23 | Y23-K25 PolarHBondContact O-N 3.45Š|
| 26 | D | 94.6 | Very high | 94.4 | Very high | 73 Ų | 73 | 66.9 Ų | 66.9 | 39% | 0.39 | 32% | 0.32 | S | S | . | . | trans | -134.5 | 78.9 | -177.7 | -178.6 | 16 | 0 | 0 | 0 | 110.3 | Y23 E28 G29 Y30 | Y23-D26 CarbonylContact O-C 3.51Å; Y23-D26 PolarHBondContact O-N 3.4Å; D26-E28 PolarHBondContact O-N 2.96Å; D26-E28 PolarHBondContact OD1-N 3.03Å; D26-G29 PolarHBondContact O-N 2.93Å; D26-G29 PolarHBondContact OD1-N 2.6Å; D26-G29 WeakPolarHBondContact OD2-CA 3.4Å; D26-G29 PolarHBondContact OD2-N 2.99Å; D26-Y30 PolarHBondContact O-N 3.32Å | ||
| 27 | P | 93.1 | Very high | 94.4 | Very high | 65 Ų | 65 | 72 Ų | 72 | 42% | 0.422 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -57.3 | -37.6 | 178.2 | -24.8 | 34.8 | 0 | 0 | 0 | 112.5 | Y30 L31 N63 | P27-Y30 WeakPolarHBondContact O-CB 3.34Å; P27-Y30 PolarHBondContact O-N 2.89Å; P27-L31 VanDerWaalsContact O-CG 3.3Å; P27-L31 WeakPolarHBondContact O-CG 3.42Å; P27-L31 PolarHBondContact O-N 3.47Å; P27-N63 HydrophobicContact CB-CB 4.41Å |
| 28 | E | 94.5 | Very high | 94.5 | Very high | 127 Ų | 127 | 67.8 Ų | 67.8 | 59% | 0.593 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -66.6 | -46.3 | -178.6 | -170.7 | 62.5 | -157.9 | 0 | 0 | 111.4 | D26 Y30 L31 Q32 | D26-E28 PolarHBondContact O-N 2.96Å; D26-E28 PolarHBondContact OD1-N 3.03Å; E28-Y30 VanDerWaalsContact C-N 3.27Å; E28-Y30 PolarHBondContact O-N 2.92Å; E28-L31 PolarHBondContact O-N 3.35Å; E28-L31 VanDerWaalsContact O-N 3.15Å; E28-Q32 WeakPolarHBondContact O-CB 3.43Å; E28-Q32 PolarHBondContact O-N 3.37Å |
| 29 | G | 95.4 | Very high | 94.4 | Very high | 15 Ų | 15 | 68.2 Ų | 68.2 | 16% | 0.155 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -59.3 | -38.7 | 173 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y23 D26 Q32 S33 | Y23-G29 VanDerWaalsContact CD1-C 3.48Å; D26-G29 PolarHBondContact O-N 2.93Å; D26-G29 PolarHBondContact OD1-N 2.6Å; D26-G29 WeakPolarHBondContact OD2-CA 3.4Å; D26-G29 PolarHBondContact OD2-N 2.99Å; G29-Q32 PolarHBondContact O-N 3.28Å; G29-S33 WeakPolarHBondContact O-CB 3.3Å; G29-S33 PolarHBondContact O-N 3.03Å |
| 30 | Y | 96 | Very high | 94.2 | Very high | 2 Ų | 2 | 73.1 Ų | 73.1 | 1% | 0.008 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -59.8 | -49.4 | 172.9 | -169.3 | -83.5 | 0 | 0 | 0 | 111.4 | L20 Y23 D26 P27 E28 S33 M34 I56 K59 A60 | L20-Y30 HydrophobicContact CB-CE2 4.16Å; L20-Y30 HydrophobicContact CD1-CE2 4.39Å; L20-Y30 HydrophobicContact CD2-CD2 4.36Å; L20-Y30 HydrophobicContact CD2-CE2 4.06Å; L20-Y30 HydrophobicContact CG-CE2 4.44Å; Y23-Y30 HydrophobicContact CD2-CD2 4.42Å; D26-Y30 PolarHBondContact O-N 3.32Å; P27-Y30 WeakPolarHBondContact O-CB 3.34Å; P27-Y30 PolarHBondContact O-N 2.89Å; E28-Y30 VanDerWaalsContact C-N 3.27Å; E28-Y30 PolarHBondContact O-N 2.92Å; Y30-S33 PolarHBondContact O-N 2.94Å; Y30-S33 PolarHBondContact O-OG 3.18Å; Y30-M34 HydrophobicContact CD1-CE 4.42Å; Y30-M34 HydrophobicContact CD1-CG 4.39Å; Y30-M34 HydrophobicContact CE1-CE 3.99Å; Y30-M34 HydrophobicContact CE1-CG 4.24Å; Y30-M34 HydrophobicContact CE1-SD 4.12Å; Y30-M34 PolarHBondContact O-N 3.28Å; Y30-I56 WeakPolarHBondContact OH-CA 3.4Å; Y30-I56 WeakPolarHBondContact OH-CG2 3.29Å; Y30-I56 PolarHBondContact OH-O 3.48Å; Y30-K59 HydrophobicContact CD2-CD 4.47Å; Y30-K59 HydrophobicContact CE1-CB 4.37Å; Y30-K59 HydrophobicContact CE1-CG 4.18Å; Y30-K59 HydrophobicContact CE2-CD 3.74Å; Y30-K59 HydrophobicContact CE2-CG 4.26Å; Y30-A60 HydrophobicContact CE1-CB 3.86Å |
| 31 | L | 96.2 | Very high | 94.1 | Very high | 22 Ų | 22 | 79.7 Ų | 79.7 | 12% | 0.115 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -62.6 | -44.7 | 179.5 | -65.1 | -176.7 | 0 | 0 | 0 | 111.6 | P27 E28 S33 M34 A60 N63 Y65 | P27-L31 VanDerWaalsContact O-CG 3.3Å; P27-L31 WeakPolarHBondContact O-CG 3.42Å; P27-L31 PolarHBondContact O-N 3.47Å; E28-L31 PolarHBondContact O-N 3.35Å; E28-L31 VanDerWaalsContact O-N 3.15Å; L31-S33 PolarHBondContact O-N 2.68Å; L31-M34 WeakPolarHBondContact O-CB 3.45Å; L31-M34 PolarHBondContact O-N 3.46Å; L31-A60 WeakPolarHBondContact CD2-O 3.32Å; L31-N63 HydrophobicContact CD2-CB 4.02Å; L31-Y65 HydrophobicContact CD2-CD2 4.08Å; L31-Y65 HydrophobicContact CD2-CG 4.42Å |
| 32 | Q | 95.4 | Very high | 94.2 | Very high | 114 Ų | 114 | 74.6 Ų | 74.6 | 53% | 0.533 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -59.4 | -37.9 | 176.9 | -173.5 | 61.4 | 41 | 0 | 0 | 111.6 | E28 G29 M34 N35 | E28-Q32 WeakPolarHBondContact O-CB 3.43Å; E28-Q32 PolarHBondContact O-N 3.37Å; G29-Q32 PolarHBondContact O-N 3.28Å; Q32-M34 VanDerWaalsContact C-N 3.26Å; Q32-M34 PolarHBondContact O-N 3.45Å; Q32-N35 PolarHBondContact O-N 2.97Å; Q32-N35 VanDerWaalsContact O-N 3.13Å |
| 33 | S | 96.1 | Very high | 94.3 | Very high | 1 Ų | 1 | 68.2 Ų | 68.2 | 1% | 0.007 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -64.6 | -29.3 | 177.6 | 81.3 | 0 | 0 | 0 | 0 | 113 | G29 Y30 L31 N35 E36 A44 | G29-S33 WeakPolarHBondContact O-CB 3.3Å; G29-S33 PolarHBondContact O-N 3.03Å; Y30-S33 PolarHBondContact O-N 2.94Å; Y30-S33 PolarHBondContact O-OG 3.18Å; L31-S33 PolarHBondContact O-N 2.68Å; S33-N35 PolarHBondContact O-N 3.31Å; S33-E36 PolarHBondContact O-N 3.3Å; S33-A44 VanDerWaalsContact O-CB 3.3Å; S33-A44 WeakPolarHBondContact O-CB 3.41Å |
| 34 | M | 96.9 | Very high | 94.5 | Very high | 0 Ų | 0 | 65.5 Ų | 65.5 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -67.3 | -23.1 | 176.1 | -62.8 | -59.7 | 103.5 | 0 | 0 | 112.8 | L4 L20 Y30 L31 Q32 A44 I45 F48 I56 A60 Y65 | L4-M34 HydrophobicContact CD2-CE 4.24Å; L20-M34 HydrophobicContact CD2-CE 4.01Å; Y30-M34 HydrophobicContact CD1-CE 4.42Å; Y30-M34 HydrophobicContact CD1-CG 4.39Å; Y30-M34 HydrophobicContact CE1-CE 3.99Å; Y30-M34 HydrophobicContact CE1-CG 4.24Å; Y30-M34 HydrophobicContact CE1-SD 4.12Å; Y30-M34 PolarHBondContact O-N 3.28Å; L31-M34 WeakPolarHBondContact O-CB 3.45Å; L31-M34 PolarHBondContact O-N 3.46Å; Q32-M34 VanDerWaalsContact C-N 3.26Å; Q32-M34 PolarHBondContact O-N 3.45Å; M34-A44 PolarHBondContact O-N 2.75Å; M34-I45 HydrophobicContact CB-CB 4.23Å; M34-I45 PolarHBondContact O-N 2.97Å; M34-F48 HydrophobicContact CE-CD2 4.35Å; M34-F48 HydrophobicContact CE-CE2 3.83Å; M34-F48 HydrophobicContact SD-CD2 4.07Å; M34-F48 HydrophobicContact SD-CE2 4.16Å; M34-I56 HydrophobicContact CE-CG2 4.09Å; M34-I56 HydrophobicContact SD-CG2 3.95Å; M34-A60 HydrophobicContact CG-CB 3.85Å; M34-A60 HydrophobicContact SD-CB 4.14Å; M34-Y65 HydrophobicContact CB-CD2 4.11Å; M34-Y65 HydrophobicContact CB-CE2 3.74Å |
| 35 | N | 95.5 | Very high | 94.9 | Very high | 20 Ų | 20 | 61 Ų | 61 | 11% | 0.107 | 29% | 0.294 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.3 | 5.7 | 179.5 | -68 | -26.5 | 0 | 0 | 0 | 113.2 | Q32 S33 Y37 Y65 E67 | Q32-N35 PolarHBondContact O-N 2.97Å; Q32-N35 VanDerWaalsContact O-N 3.13Å; S33-N35 PolarHBondContact O-N 3.31Å; N35-Y37 WeakPolarHBondContact O-CD2 3.41Å; N35-Y37 WeakPolarHBondContact O-CE2 3.36Å; N35-Y65 VanDerWaalsContact OD1-CE2 3.27Å; N35-Y65 WeakPolarHBondContact OD1-CE2 3.4Å; N35-Y65 PolarHBondContact OD1-OH 3.44Å; N35-E67 PolarHBondContact ND2-OE1 2.91Å |
| 36 | E | 96 | Very high | 95.2 | Very high | 51 Ų | 51 | 51.5 Ų | 51.5 | 24% | 0.238 | 25% | 0.253 | C | S | . | . | trans | -69.3 | 150.8 | 170.7 | -66.6 | 176.8 | 168.8 | 0 | 0 | 110.4 | S2 L4 I5 S33 S43 A44 | S2-E36 VanDerWaalsContact CB-CD 3.43Å; S2-E36 WeakPolarHBondContact CB-OE2 3.43Å; S2-E36 VanDerWaalsContact OG-CD 3.31Å; S2-E36 PolarHBondContact OG-OE2 3.37Å; L4-E36 WeakPolarHBondContact CB-OE2 3.48Å; I5-E36 HydrophobicContact CD1-CB 4.38Å; I5-E36 HydrophobicContact CG1-CB 3.99Å; S33-E36 PolarHBondContact O-N 3.3Å; E36-S43 CarbonylContact O-C 3.6Å; E36-S43 WeakPolarHBondContact O-CA 3.39Å; E36-A44 PolarHBondContact O-N 3.46Å | ||
| 37 | Y | 96 | Very high | 95.3 | Very high | 114 Ų | 114 | 48.7 Ų | 48.7 | 45% | 0.447 | 24% | 0.238 | S | C | . | . | B | Isolated β-bridge | trans | -120.4 | 148.8 | -174.1 | -61.5 | -88.6 | 0 | 0 | 0 | 113.2 | N35 N42 | N35-Y37 WeakPolarHBondContact O-CD2 3.41Å; N35-Y37 WeakPolarHBondContact O-CE2 3.36Å; Y37-N42 CarbonylContact C-O 3.6Å; Y37-N42 VanDerWaalsContact CA-O 3.28Å; Y37-N42 WeakPolarHBondContact CA-O 3.35Å |
| 38 | D | 95.2 | Very high | 95.5 | Very high | 19 Ų | 19 | 45.6 Ų | 45.6 | 10% | 0.102 | 22% | 0.218 | C | C | . | . | trans | -78.1 | 179 | 164 | 75.8 | 4.3 | 0 | 0 | 0 | 112.9 | I5 L9 M40 H41 N42 L47 | I5-D38 HydrophobicContact CG2-CB 3.71Å; L9-D38 HydrophobicContact CD1-CB 4.47Å; D38-M40 PolarHBondContact O-N 3.04Å; D38-M40 VanDerWaalsContact OD1-CA 3.26Å; D38-M40 WeakPolarHBondContact OD1-CA 3.32Å; D38-M40 WeakPolarHBondContact OD1-CB 3.49Å; D38-M40 PolarHBondContact OD1-N 3.42Å; D38-H41 PolarHBondContact O-N 3.41Å; D38-H41 PolarHBondContact OD1-N 2.9Å; D38-N42 PolarHBondContact N-O 3.36Å; D38-N42 PolarHBondContact OD1-N 3.41Å; D38-N42 PolarHBondContact OD1-ND2 3.14Å; D38-N42 PolarHBondContact OD2-ND2 3.45Å; D38-L47 HydrophobicContact CB-CD1 4.28Å | ||
| 39 | E | 94 | Very high | 95.7 | Very high | 158 Ų | 158 | 39.6 Ų | 39.6 | 74% | 0.738 | 19% | 0.19 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | -18.3 | 176.6 | -77.6 | 172.9 | -165.4 | 0 | 0 | 113.6 | M1 H41 | M1-E39 HydrophobicContact CE-CB 4.27Å; M1-E39 HydrophobicContact CE-CG 3.53Å; M1-E39 WeakPolarHBondContact CE-OE1 3.41Å; E39-H41 VanDerWaalsContact C-N 3.35Å |
| 40 | M | 91.7 | Very high | 95.7 | Very high | 116 Ų | 116 | 40.5 Ų | 40.5 | 57% | 0.571 | 19% | 0.191 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -94.9 | 6.4 | 178.7 | -65.1 | -69.2 | 173.9 | 0 | 0 | 112.4 | D38 N42 | D38-M40 PolarHBondContact O-N 3.04Å; D38-M40 VanDerWaalsContact OD1-CA 3.26Å; D38-M40 WeakPolarHBondContact OD1-CA 3.32Å; D38-M40 WeakPolarHBondContact OD1-CB 3.49Å; D38-M40 PolarHBondContact OD1-N 3.42Å; M40-N42 VanDerWaalsContact C-N 3.31Å |
| 41 | H | 92.8 | Very high | 95.7 | Very high | 145 Ų | 145 | 44.6 Ų | 44.6 | 67% | 0.671 | 21% | 0.212 | S | C | * | . | trans | 61.8 | 29.3 | -175.5 | -63.6 | -77.7 | 0 | 0 | 0 | 114.8 | D38 E39 | D38-H41 PolarHBondContact O-N 3.41Å; D38-H41 PolarHBondContact OD1-N 2.9Å; E39-H41 VanDerWaalsContact C-N 3.35Å | ||
| 42 | N | 93.9 | Very high | 95.8 | Very high | 24 Ų | 24 | 46.8 Ų | 46.8 | 13% | 0.128 | 22% | 0.224 | C | C | . | . | trans | -85.5 | 130.3 | 164.7 | -50.7 | -66 | 0 | 0 | 0 | 108.8 | Y37 D38 M40 E46 L47 | Y37-N42 CarbonylContact C-O 3.6Å; Y37-N42 VanDerWaalsContact CA-O 3.28Å; Y37-N42 WeakPolarHBondContact CA-O 3.35Å; D38-N42 PolarHBondContact N-O 3.36Å; D38-N42 PolarHBondContact OD1-N 3.41Å; D38-N42 PolarHBondContact OD1-ND2 3.14Å; D38-N42 PolarHBondContact OD2-ND2 3.45Å; M40-N42 VanDerWaalsContact C-N 3.31Å; N42-E46 WeakPolarHBondContact CA-OE2 3.49Å; N42-L47 HydrophobicContact CB-CD2 3.92Å; N42-L47 HydrophobicContact CB-CG 4.13Å | ||
| 43 | S | 95.9 | Very high | 95.8 | Very high | 6 Ų | 6 | 42.8 Ų | 42.8 | 4% | 0.042 | 21% | 0.209 | C | C | . | . | B | Isolated β-bridge | trans | -70 | 158.1 | 173.9 | 59.8 | 0 | 0 | 0 | 0 | 111.5 | E36 I45 E46 L47 | E36-S43 CarbonylContact O-C 3.6Å; E36-S43 WeakPolarHBondContact O-CA 3.39Å; S43-I45 VanDerWaalsContact C-N 3.27Å; S43-I45 PolarHBondContact O-N 3.03Å; S43-I45 WeakPolarHBondContact OG-CG2 3.38Å; S43-E46 PolarHBondContact N-OE2 3.17Å; S43-E46 WeakPolarHBondContact O-CB 3.31Å; S43-E46 PolarHBondContact O-N 3.3Å; S43-E46 VanDerWaalsContact O-N 3.1Å; S43-E46 WeakPolarHBondContact OG-CG 3.39Å; S43-E46 PolarHBondContact OG-N 3.35Å; S43-E46 PolarHBondContact OG-OE2 3.2Å; S43-L47 WeakPolarHBondContact O-CG 3.44Å; S43-L47 PolarHBondContact O-N 3.09Å |
| 44 | A | 96.9 | Very high | 95.7 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -59.3 | -39.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | L4 I5 I8 S33 M34 E36 E46 L47 F48 | L4-A44 HydrophobicContact CD2-CB 4.25Å; I5-A44 HydrophobicContact CD1-CB 3.79Å; I8-A44 HydrophobicContact CD1-CB 3.95Å; S33-A44 VanDerWaalsContact O-CB 3.3Å; S33-A44 WeakPolarHBondContact O-CB 3.41Å; M34-A44 PolarHBondContact O-N 2.75Å; E36-A44 PolarHBondContact O-N 3.46Å; A44-E46 VanDerWaalsContact C-N 3.34Å; A44-E46 PolarHBondContact O-N 2.9Å; A44-L47 PolarHBondContact O-N 3.45Å; A44-F48 HydrophobicContact CB-CD2 4.42Å; A44-F48 HydrophobicContact CB-CE2 4.24Å; A44-F48 WeakPolarHBondContact O-CB 3.34Å; A44-F48 WeakPolarHBondContact O-CD2 3.45Å; A44-F48 WeakPolarHBondContact O-CG 3.34Å; A44-F48 PolarHBondContact O-N 2.98Å |
| 45 | I | 97.1 | Very high | 95.6 | Very high | 3 Ų | 3 | 53 Ų | 53 | 2% | 0.015 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -65.4 | -34.2 | 176.7 | -163.7 | 167.9 | 0 | 0 | 0 | 112.9 | M34 S43 F48 T49 I57 Y65 L78 | M34-I45 HydrophobicContact CB-CB 4.23Å; M34-I45 PolarHBondContact O-N 2.97Å; S43-I45 VanDerWaalsContact C-N 3.27Å; S43-I45 PolarHBondContact O-N 3.03Å; S43-I45 WeakPolarHBondContact OG-CG2 3.38Å; I45-F48 PolarHBondContact O-N 2.95Å; I45-T49 WeakPolarHBondContact O-CB 3.21Å; I45-T49 PolarHBondContact O-N 3.27Å; I45-T49 PolarHBondContact O-OG1 3.07Å; I45-I57 HydrophobicContact CG1-CG1 4.49Å; I45-Y65 HydrophobicContact CD1-CD1 3.82Å; I45-Y65 HydrophobicContact CD1-CE1 3.54Å; I45-Y65 HydrophobicContact CD1-CE2 4.38Å; I45-Y65 HydrophobicContact CD1-CG 4.34Å; I45-L78 HydrophobicContact CD1-CD1 4.32Å; I45-L78 HydrophobicContact CG1-CD2 4.44Å; I45-L78 HydrophobicContact CG2-CD2 4.22Å |
| 46 | E | 96.8 | Very high | 95.7 | Very high | 7 Ų | 7 | 53.2 Ų | 53.2 | 3% | 0.033 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -67.5 | -42.9 | 173.4 | -71.8 | 165.5 | 151.5 | 0 | 0 | 110.9 | N42 S43 A44 T49 I50 G72 L78 Y81 | N42-E46 WeakPolarHBondContact CA-OE2 3.49Å; S43-E46 PolarHBondContact N-OE2 3.17Å; S43-E46 WeakPolarHBondContact O-CB 3.31Å; S43-E46 PolarHBondContact O-N 3.3Å; S43-E46 VanDerWaalsContact O-N 3.1Å; S43-E46 WeakPolarHBondContact OG-CG 3.39Å; S43-E46 PolarHBondContact OG-N 3.35Å; S43-E46 PolarHBondContact OG-OE2 3.2Å; A44-E46 VanDerWaalsContact C-N 3.34Å; A44-E46 PolarHBondContact O-N 2.9Å; E46-T49 WeakPolarHBondContact O-CB 3.47Å; E46-T49 PolarHBondContact O-N 2.84Å; E46-T49 VanDerWaalsContact O-N 3.16Å; E46-I50 WeakPolarHBondContact O-CG1 3.39Å; E46-I50 PolarHBondContact O-N 3.27Å; E46-G72 WeakPolarHBondContact OE1-CA 3.36Å; E46-G72 PolarHBondContact OE1-N 3.16Å; E46-L78 HydrophobicContact CG-CD2 3.93Å; E46-Y81 HydrophobicContact CB-CD2 4.34Å; E46-Y81 HydrophobicContact CB-CE2 4.11Å; E46-Y81 HydrophobicContact CG-CD2 4.12Å; E46-Y81 HydrophobicContact CG-CE2 3.71Å |
| 47 | L | 96.9 | Very high | 95.7 | Very high | 14 Ų | 14 | 50.8 Ų | 50.8 | 7% | 0.073 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -63.4 | -43.1 | 174.8 | -62.7 | 173.1 | 0 | 0 | 0 | 111.5 | I5 I8 D38 N42 S43 A44 T49 I50 L51 | I5-L47 HydrophobicContact CD1-CD1 3.75Å; I8-L47 HydrophobicContact CG2-CB 3.67Å; I8-L47 HydrophobicContact CG2-CD1 3.92Å; I8-L47 HydrophobicContact CG2-CG 4.38Å; D38-L47 HydrophobicContact CB-CD1 4.28Å; N42-L47 HydrophobicContact CB-CD2 3.92Å; N42-L47 HydrophobicContact CB-CG 4.13Å; S43-L47 WeakPolarHBondContact O-CG 3.44Å; S43-L47 PolarHBondContact O-N 3.09Å; A44-L47 PolarHBondContact O-N 3.45Å; L47-T49 PolarHBondContact O-N 3.34Å; L47-I50 WeakPolarHBondContact O-CB 3.48Å; L47-I50 PolarHBondContact O-N 2.84Å; L47-I50 VanDerWaalsContact O-N 3.14Å; L47-L51 WeakPolarHBondContact O-CG 3.35Å; L47-L51 PolarHBondContact O-N 3.31Å |
| 48 | F | 97.4 | Very high | 95.7 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -62.3 | -32.4 | 173.5 | -75.5 | -48.6 | 0 | 0 | 0 | 112.7 | L4 I8 I16 L20 M34 A44 I45 L51 D52 S53 I56 I57 | L4-F48 HydrophobicContact CD1-CZ 4.1Å; L4-F48 HydrophobicContact CD2-CE2 4.29Å; L4-F48 HydrophobicContact CG-CZ 4.48Å; I8-F48 HydrophobicContact CD1-CD1 4.39Å; I8-F48 HydrophobicContact CD1-CD2 4.24Å; I8-F48 HydrophobicContact CD1-CE1 3.79Å; I8-F48 HydrophobicContact CD1-CE2 3.61Å; I8-F48 HydrophobicContact CD1-CZ 3.36Å; I8-F48 HydrophobicContact CG1-CD1 4.44Å; I8-F48 HydrophobicContact CG1-CE1 3.65Å; I8-F48 HydrophobicContact CG1-CE2 4.36Å; I8-F48 HydrophobicContact CG1-CZ 3.61Å; I16-F48 HydrophobicContact CG2-CE1 3.84Å; I16-F48 HydrophobicContact CG2-CZ 3.88Å; L20-F48 HydrophobicContact CD1-CZ 4.16Å; M34-F48 HydrophobicContact CE-CD2 4.35Å; M34-F48 HydrophobicContact CE-CE2 3.83Å; M34-F48 HydrophobicContact SD-CD2 4.07Å; M34-F48 HydrophobicContact SD-CE2 4.16Å; A44-F48 HydrophobicContact CB-CD2 4.42Å; A44-F48 HydrophobicContact CB-CE2 4.24Å; A44-F48 WeakPolarHBondContact O-CB 3.34Å; A44-F48 WeakPolarHBondContact O-CD2 3.45Å; A44-F48 WeakPolarHBondContact O-CG 3.34Å; A44-F48 PolarHBondContact O-N 2.98Å; I45-F48 PolarHBondContact O-N 2.95Å; F48-L51 PolarHBondContact O-N 3.25Å; F48-D52 PolarHBondContact O-N 3.07Å; F48-S53 PolarHBondContact O-N 3.34Å; F48-I56 HydrophobicContact CD1-CD1 3.92Å; F48-I56 HydrophobicContact CD1-CG2 4.28Å; F48-I56 HydrophobicContact CD2-CG2 3.64Å; F48-I56 HydrophobicContact CE1-CD1 3.53Å; F48-I56 HydrophobicContact CE1-CG2 4.35Å; F48-I56 HydrophobicContact CE2-CG2 3.71Å; F48-I56 HydrophobicContact CG-CG2 3.95Å; F48-I56 HydrophobicContact CZ-CD1 3.91Å; F48-I56 HydrophobicContact CZ-CG2 4.06Å; F48-I57 HydrophobicContact CB-CD1 4.43Å; F48-I57 HydrophobicContact CB-CG1 4.19Å |
| 49 | T | 97.6 | Very high | 95.7 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -67.8 | -42.4 | 173.4 | -59.9 | 0 | 0 | 0 | 0 | 111 | I45 E46 L47 L51 D52 L78 A82 H87 L90 | I45-T49 WeakPolarHBondContact O-CB 3.21Å; I45-T49 PolarHBondContact O-N 3.27Å; I45-T49 PolarHBondContact O-OG1 3.07Å; E46-T49 WeakPolarHBondContact O-CB 3.47Å; E46-T49 PolarHBondContact O-N 2.84Å; E46-T49 VanDerWaalsContact O-N 3.16Å; L47-T49 PolarHBondContact O-N 3.34Å; T49-L51 VanDerWaalsContact C-N 3.28Å; T49-L51 PolarHBondContact O-N 3.09Å; T49-D52 PolarHBondContact O-N 3.42Å; T49-L78 HydrophobicContact CG2-CB 4.34Å; T49-L78 VanDerWaalsContact CG2-O 3.27Å; T49-L78 WeakPolarHBondContact CG2-O 3.26Å; T49-A82 HydrophobicContact CG2-CB 3.95Å; T49-H87 PolarHBondContact O-CD2 2.97Å; T49-L90 HydrophobicContact CG2-CD2 3.91Å |
| 50 | I | 96.5 | Very high | 95.8 | Very high | 35 Ų | 35 | 42.4 Ų | 42.4 | 18% | 0.179 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -61.4 | -37.9 | 174.7 | -70 | 168.5 | 0 | 0 | 0 | 111.3 | E46 L47 D52 Y81 W85 H87 | E46-I50 WeakPolarHBondContact O-CG1 3.39Å; E46-I50 PolarHBondContact O-N 3.27Å; L47-I50 WeakPolarHBondContact O-CB 3.48Å; L47-I50 PolarHBondContact O-N 2.84Å; L47-I50 VanDerWaalsContact O-N 3.14Å; I50-D52 VanDerWaalsContact C-N 3.34Å; I50-D52 PolarHBondContact O-N 2.82Å; I50-Y81 HydrophobicContact CD1-CD1 3.98Å; I50-Y81 HydrophobicContact CD1-CE1 4.38Å; I50-Y81 HydrophobicContact CG1-CD1 4.03Å; I50-Y81 HydrophobicContact CG1-CG 4.32Å; I50-W85 HydrophobicContact CG2-CD2 4.09Å; I50-W85 HydrophobicContact CG2-CG 4.36Å; I50-W85 HydrophobicContact CG2-CZ2 3.84Å; I50-H87 PolarHBondContact O-NE2 3.04Å |
| 51 | L | 96.1 | Very high | 96 | Very high | 87 Ų | 87 | 38.4 Ų | 38.4 | 46% | 0.455 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.9 | 5.2 | -178.4 | -64.3 | 174.9 | 0 | 0 | 0 | 114.6 | I8 L47 F48 T49 S53 | I8-L51 HydrophobicContact CG2-CD1 3.72Å; L47-L51 WeakPolarHBondContact O-CG 3.35Å; L47-L51 PolarHBondContact O-N 3.31Å; F48-L51 PolarHBondContact O-N 3.25Å; T49-L51 VanDerWaalsContact C-N 3.28Å; T49-L51 PolarHBondContact O-N 3.09Å; L51-S53 PolarHBondContact O-N 3Å |
| 52 | D | 96.5 | Very high | 96 | Very high | 68 Ų | 68 | 35.8 Ų | 35.8 | 36% | 0.364 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 49 | 40.6 | -172.4 | -162.1 | 25.3 | 0 | 0 | 0 | 114 | F48 T49 I50 R54 H87 | F48-D52 PolarHBondContact O-N 3.07Å; T49-D52 PolarHBondContact O-N 3.42Å; I50-D52 VanDerWaalsContact C-N 3.34Å; I50-D52 PolarHBondContact O-N 2.82Å; D52-R54 PolarHBondContact O-N 3.43Å; D52-H87 HydrophobicContact CB-CB 4.5Å |
| 53 | S | 96 | Very high | 96.1 | Very high | 31 Ų | 31 | 37.3 Ų | 37.3 | 22% | 0.217 | 20% | 0.197 | C | C | . | . | trans | -79.5 | 56.6 | 178.2 | -66.1 | 0 | 0 | 0 | 0 | 111.2 | F48 L51 N55 I56 I57 | F48-S53 PolarHBondContact O-N 3.34Å; L51-S53 PolarHBondContact O-N 3Å; S53-N55 VanDerWaalsContact C-N 3.32Å; S53-N55 PolarHBondContact O-N 3.1Å; S53-I56 WeakPolarHBondContact O-CB 3.46Å; S53-I56 PolarHBondContact O-N 2.87Å; S53-I57 PolarHBondContact O-N 3.34Å | ||
| 54 | R | 94.4 | Very high | 96 | Very high | 85 Ų | 85 | 39.2 Ų | 39.2 | 32% | 0.321 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -50.6 | -46.3 | -171.3 | -178.2 | 172.6 | 173.7 | 179.5 | -1.1 | 113.1 | D52 I56 I57 E58 | D52-R54 PolarHBondContact O-N 3.43Å; R54-I56 VanDerWaalsContact C-N 3.25Å; R54-I56 PolarHBondContact O-N 3.3Å; R54-I57 PolarHBondContact O-N 3.48Å; R54-I57 VanDerWaalsContact O-N 3.16Å; R54-E58 HydrophobicContact CG-CG 4Å; R54-E58 IonicContact CZ-OE1 3.82Å; R54-E58 VanDerWaalsContact CZ-OE1 3.28Å; R54-E58 IonicContact NE-OE1 3.75Å; R54-E58 PolarHBondContact NE-OE1 3.45Å; R54-E58 IonicContact NH2-OE1 3.38Å; R54-E58 PolarHBondContact NH2-OE1 3.02Å; R54-E58 WeakPolarHBondContact O-CB 3.32Å; R54-E58 WeakPolarHBondContact O-CG 3.49Å; R54-E58 PolarHBondContact O-N 2.96Å |
| 55 | N | 95.1 | Very high | 95.9 | Very high | 130 Ų | 130 | 40 Ų | 40 | 70% | 0.695 | 22% | 0.22 | S | C | * | . | H | α-helix | trans | -59.1 | -35.2 | 179.8 | -66.6 | -22.4 | 0 | 0 | 0 | 113.1 | S53 K59 | S53-N55 VanDerWaalsContact C-N 3.32Å; S53-N55 PolarHBondContact O-N 3.1Å; N55-K59 VanDerWaalsContact O-CB 3.3Å; N55-K59 WeakPolarHBondContact O-CB 3.43Å; N55-K59 PolarHBondContact O-N 3.32Å |
| 56 | I | 96.3 | Very high | 95.7 | Very high | 24 Ų | 24 | 46.5 Ų | 46.5 | 12% | 0.123 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -71.9 | -43.3 | 179.1 | -67.2 | 174.8 | 0 | 0 | 0 | 109.9 | I16 L20 Y30 M34 F48 S53 R54 K59 A60 | I16-I56 HydrophobicContact CG2-CD1 3.89Å; L20-I56 HydrophobicContact CD1-CD1 3.55Å; L20-I56 HydrophobicContact CD1-CG1 3.86Å; L20-I56 HydrophobicContact CD1-CG2 3.9Å; Y30-I56 WeakPolarHBondContact OH-CA 3.4Å; Y30-I56 WeakPolarHBondContact OH-CG2 3.29Å; Y30-I56 PolarHBondContact OH-O 3.48Å; M34-I56 HydrophobicContact CE-CG2 4.09Å; M34-I56 HydrophobicContact SD-CG2 3.95Å; F48-I56 HydrophobicContact CD1-CD1 3.92Å; F48-I56 HydrophobicContact CD1-CG2 4.28Å; F48-I56 HydrophobicContact CD2-CG2 3.64Å; F48-I56 HydrophobicContact CE1-CD1 3.53Å; F48-I56 HydrophobicContact CE1-CG2 4.35Å; F48-I56 HydrophobicContact CE2-CG2 3.71Å; F48-I56 HydrophobicContact CG-CG2 3.95Å; F48-I56 HydrophobicContact CZ-CD1 3.91Å; F48-I56 HydrophobicContact CZ-CG2 4.06Å; S53-I56 WeakPolarHBondContact O-CB 3.46Å; S53-I56 PolarHBondContact O-N 2.87Å; R54-I56 VanDerWaalsContact C-N 3.25Å; R54-I56 PolarHBondContact O-N 3.3Å; I56-K59 PolarHBondContact O-N 3.18Å; I56-A60 PolarHBondContact O-N 3.31Å |
| 57 | I | 96.8 | Very high | 95.4 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -65.7 | -46.1 | 177.1 | -59.2 | 169.2 | 0 | 0 | 0 | 110.4 | I45 F48 S53 R54 K59 A60 I61 L90 Y93 L94 | I45-I57 HydrophobicContact CG1-CG1 4.49Å; F48-I57 HydrophobicContact CB-CD1 4.43Å; F48-I57 HydrophobicContact CB-CG1 4.19Å; S53-I57 PolarHBondContact O-N 3.34Å; R54-I57 PolarHBondContact O-N 3.48Å; R54-I57 VanDerWaalsContact O-N 3.16Å; I57-K59 VanDerWaalsContact C-N 3.3Å; I57-K59 PolarHBondContact O-N 3.27Å; I57-A60 WeakPolarHBondContact O-CB 3.41Å; I57-A60 PolarHBondContact O-N 3.23Å; I57-A60 VanDerWaalsContact O-N 3.16Å; I57-I61 HydrophobicContact CG2-CD1 4.24Å; I57-I61 WeakPolarHBondContact O-CG1 3.39Å; I57-I61 PolarHBondContact O-N 3.38Å; I57-L90 HydrophobicContact CD1-CD1 3.8Å; I57-L90 HydrophobicContact CD1-CD2 3.73Å; I57-L90 HydrophobicContact CD1-CG 4.41Å; I57-L90 HydrophobicContact CG2-CD1 4.35Å; I57-Y93 HydrophobicContact CG2-CE1 4.43Å; I57-L94 HydrophobicContact CG2-CD2 4.24Å |
| 58 | E | 95.8 | Very high | 95.3 | Very high | 56 Ų | 56 | 49.4 Ų | 49.4 | 26% | 0.262 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -58.7 | -42.1 | 175.9 | -71.6 | -169.7 | 168.6 | 0 | 0 | 111.6 | R54 I61 S62 Y93 | R54-E58 HydrophobicContact CG-CG 4Å; R54-E58 IonicContact CZ-OE1 3.82Å; R54-E58 VanDerWaalsContact CZ-OE1 3.28Å; R54-E58 IonicContact NE-OE1 3.75Å; R54-E58 PolarHBondContact NE-OE1 3.45Å; R54-E58 IonicContact NH2-OE1 3.38Å; R54-E58 PolarHBondContact NH2-OE1 3.02Å; R54-E58 WeakPolarHBondContact O-CB 3.32Å; R54-E58 WeakPolarHBondContact O-CG 3.49Å; R54-E58 PolarHBondContact O-N 2.96Å; E58-I61 PolarHBondContact O-N 3.49Å; E58-S62 WeakPolarHBondContact O-CB 3.38Å; E58-S62 PolarHBondContact O-N 3.2Å; E58-S62 PolarHBondContact O-OG 3.22Å; E58-Y93 WeakPolarHBondContact CA-OH 3.49Å; E58-Y93 HydrophobicContact CB-CE1 4.44Å; E58-Y93 HydrophobicContact CG-CD1 4.16Å; E58-Y93 HydrophobicContact CG-CD2 4.22Å; E58-Y93 HydrophobicContact CG-CE1 3.7Å; E58-Y93 HydrophobicContact CG-CE2 3.8Å; E58-Y93 HydrophobicContact CG-CG 4.41Å |
| 59 | K | 95.5 | Very high | 95.1 | Very high | 60 Ų | 60 | 53 Ų | 53 | 26% | 0.261 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -65 | -41.4 | 174.9 | -174 | 175.7 | 179.8 | -171.8 | 0 | 112.1 | D24 Y30 N55 I56 I57 S62 N63 | D24-K59 IonicContact OD1-NZ 3.28Å; D24-K59 PolarHBondContact OD1-NZ 2.99Å; Y30-K59 HydrophobicContact CD2-CD 4.47Å; Y30-K59 HydrophobicContact CE1-CB 4.37Å; Y30-K59 HydrophobicContact CE1-CG 4.18Å; Y30-K59 HydrophobicContact CE2-CD 3.74Å; Y30-K59 HydrophobicContact CE2-CG 4.26Å; N55-K59 VanDerWaalsContact O-CB 3.3Å; N55-K59 WeakPolarHBondContact O-CB 3.43Å; N55-K59 PolarHBondContact O-N 3.32Å; I56-K59 PolarHBondContact O-N 3.18Å; I57-K59 VanDerWaalsContact C-N 3.3Å; I57-K59 PolarHBondContact O-N 3.27Å; K59-S62 WeakPolarHBondContact CA-OG 3.33Å; K59-S62 PolarHBondContact O-N 3.24Å; K59-S62 PolarHBondContact O-OG 3.24Å; K59-S62 VanDerWaalsContact O-OG 3.06Å; K59-N63 VanDerWaalsContact O-CB 3.32Å; K59-N63 WeakPolarHBondContact O-CB 3.46Å; K59-N63 PolarHBondContact O-N 3.44Å |
| 60 | A | 96.3 | Very high | 94.9 | Very high | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -58.9 | -50.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y30 L31 M34 I56 I57 S62 N63 G64 Y65 | Y30-A60 HydrophobicContact CE1-CB 3.86Å; L31-A60 WeakPolarHBondContact CD2-O 3.32Å; M34-A60 HydrophobicContact CG-CB 3.85Å; M34-A60 HydrophobicContact SD-CB 4.14Å; I56-A60 PolarHBondContact O-N 3.31Å; I57-A60 WeakPolarHBondContact O-CB 3.41Å; I57-A60 PolarHBondContact O-N 3.23Å; I57-A60 VanDerWaalsContact O-N 3.16Å; A60-S62 PolarHBondContact O-N 3.3Å; A60-N63 CarbonylContact O-C 3.32Å; A60-N63 PolarHBondContact O-N 2.86Å; A60-G64 PolarHBondContact O-N 3.38Å; A60-Y65 HydrophobicContact CB-CG 4.46Å; A60-Y65 VanDerWaalsContact O-CB 3.25Å; A60-Y65 WeakPolarHBondContact O-CB 3.49Å; A60-Y65 PolarHBondContact O-N 3.07Å |
| 61 | I | 95.6 | Very high | 94.8 | Very high | 31 Ų | 31 | 58.8 Ų | 58.8 | 16% | 0.159 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -64 | -43.2 | -179.3 | -61.8 | -170.7 | 0 | 0 | 0 | 111.3 | I57 E58 N63 G64 L68 Y93 L94 A97 | I57-I61 HydrophobicContact CG2-CD1 4.24Å; I57-I61 WeakPolarHBondContact O-CG1 3.39Å; I57-I61 PolarHBondContact O-N 3.38Å; E58-I61 PolarHBondContact O-N 3.49Å; I61-N63 VanDerWaalsContact C-N 3.25Å; I61-N63 PolarHBondContact O-N 3.36Å; I61-G64 PolarHBondContact O-N 2.63Å; I61-L68 HydrophobicContact CD1-CD1 4.08Å; I61-L68 HydrophobicContact CD1-CD2 3.54Å; I61-L68 HydrophobicContact CD1-CG 4.45Å; I61-L68 HydrophobicContact CG1-CD1 4.49Å; I61-L68 HydrophobicContact CG1-CD2 3.83Å; I61-Y93 HydrophobicContact CD1-CE1 3.58Å; I61-Y93 HydrophobicContact CG1-CE1 4.45Å; I61-L94 HydrophobicContact CD1-CD2 4.48Å; I61-A97 HydrophobicContact CD1-CB 3.69Å; I61-A97 HydrophobicContact CG2-CB 4.33Å |
| 62 | S | 93.6 | Very high | 94.7 | Very high | 91 Ų | 91 | 55.5 Ų | 55.5 | 64% | 0.636 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -67.6 | -25.9 | 178 | 60 | 0 | 0 | 0 | 0 | 113.3 | E58 K59 A60 G64 | E58-S62 WeakPolarHBondContact O-CB 3.38Å; E58-S62 PolarHBondContact O-N 3.2Å; E58-S62 PolarHBondContact O-OG 3.22Å; K59-S62 WeakPolarHBondContact CA-OG 3.33Å; K59-S62 PolarHBondContact O-N 3.24Å; K59-S62 PolarHBondContact O-OG 3.24Å; K59-S62 VanDerWaalsContact O-OG 3.06Å; A60-S62 PolarHBondContact O-N 3.3Å; S62-G64 VanDerWaalsContact C-N 3.26Å; S62-G64 PolarHBondContact O-N 2.98Å |
| 63 | N | 94.5 | Very high | 94.5 | Very high | 56 Ų | 56 | 57 Ų | 57 | 30% | 0.299 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.8 | -0.5 | 170.2 | -76.7 | -6.1 | 0 | 0 | 0 | 114 | P27 L31 K59 A60 I61 | P27-N63 HydrophobicContact CB-CB 4.41Å; L31-N63 HydrophobicContact CD2-CB 4.02Å; K59-N63 VanDerWaalsContact O-CB 3.32Å; K59-N63 WeakPolarHBondContact O-CB 3.46Å; K59-N63 PolarHBondContact O-N 3.44Å; A60-N63 CarbonylContact O-C 3.32Å; A60-N63 PolarHBondContact O-N 2.86Å; I61-N63 VanDerWaalsContact C-N 3.25Å; I61-N63 PolarHBondContact O-N 3.36Å |
| 64 | G | 94.4 | Very high | 94.4 | Very high | 46 Ų | 46 | 59.6 Ų | 59.6 | 47% | 0.474 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 99.6 | 18.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | A60 I61 S62 N66 | A60-G64 PolarHBondContact O-N 3.38Å; I61-G64 PolarHBondContact O-N 2.63Å; S62-G64 VanDerWaalsContact C-N 3.26Å; S62-G64 PolarHBondContact O-N 2.98Å; G64-N66 PolarHBondContact O-N 2.98Å |
| 65 | Y | 95.4 | Very high | 94.4 | Very high | 15 Ų | 15 | 56 Ų | 56 | 6% | 0.059 | 31% | 0.309 | C | S | . | . | trans | -54.2 | 113.6 | 173.3 | -168.6 | -95.2 | 0 | 0 | 0 | 111 | L31 M34 N35 I45 A60 E67 L68 | L31-Y65 HydrophobicContact CD2-CD2 4.08Å; L31-Y65 HydrophobicContact CD2-CG 4.42Å; M34-Y65 HydrophobicContact CB-CD2 4.11Å; M34-Y65 HydrophobicContact CB-CE2 3.74Å; N35-Y65 VanDerWaalsContact OD1-CE2 3.27Å; N35-Y65 WeakPolarHBondContact OD1-CE2 3.4Å; N35-Y65 PolarHBondContact OD1-OH 3.44Å; I45-Y65 HydrophobicContact CD1-CD1 3.82Å; I45-Y65 HydrophobicContact CD1-CE1 3.54Å; I45-Y65 HydrophobicContact CD1-CE2 4.38Å; I45-Y65 HydrophobicContact CD1-CG 4.34Å; A60-Y65 HydrophobicContact CB-CG 4.46Å; A60-Y65 VanDerWaalsContact O-CB 3.25Å; A60-Y65 WeakPolarHBondContact O-CB 3.49Å; A60-Y65 PolarHBondContact O-N 3.07Å; Y65-E67 HydrophobicContact CD1-CB 4.46Å; Y65-E67 HydrophobicContact CE1-CB 3.7Å; Y65-E67 HydrophobicContact CE2-CB 4.33Å; Y65-L68 HydrophobicContact CD1-CD2 3.81Å; Y65-L68 HydrophobicContact CD1-CG 4.22Å; Y65-L68 HydrophobicContact CE1-CD2 4.28Å | ||
| 66 | N | 91.7 | Very high | 94.5 | Very high | 141 Ų | 141 | 50.3 Ų | 50.3 | 75% | 0.754 | 28% | 0.279 | S | S | * | . | trans | -105.6 | -1.9 | -171.4 | 62 | 4.3 | 0 | 0 | 0 | 113.7 | G64 L68 | G64-N66 PolarHBondContact O-N 2.98Å; N66-L68 VanDerWaalsContact C-N 3.29Å; N66-L68 PolarHBondContact O-N 3.15Å | ||
| 67 | E | 91.9 | Very high | 94.6 | Very high | 65 Ų | 65 | 49.1 Ų | 49.1 | 30% | 0.304 | 27% | 0.273 | S | S | . | . | trans | -91.2 | 23.8 | -176.1 | -73.4 | 177.7 | -106.5 | 0 | 0 | 113.4 | N35 Y65 N69 I70 | N35-E67 PolarHBondContact ND2-OE1 2.91Å; Y65-E67 HydrophobicContact CD1-CB 4.46Å; Y65-E67 HydrophobicContact CE1-CB 3.7Å; Y65-E67 HydrophobicContact CE2-CB 4.33Å; E67-N69 PolarHBondContact O-N 3.35Å; E67-I70 HydrophobicContact CB-CD1 3.6Å; E67-I70 HydrophobicContact CB-CG1 3.96Å; E67-I70 HydrophobicContact CG-CD1 3.62Å; E67-I70 HydrophobicContact CG-CG1 4.35Å; E67-I70 WeakPolarHBondContact O-CB 3.44Å; E67-I70 WeakPolarHBondContact O-CG1 3.36Å; E67-I70 PolarHBondContact O-N 2.88Å; E67-I70 VanDerWaalsContact O-N 3.07Å; E67-I70 WeakPolarHBondContact OE2-CD1 3.35Å | ||
| 68 | L | 93.2 | Very high | 94.6 | Very high | 16 Ų | 16 | 49.5 Ų | 49.5 | 8% | 0.084 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | -22 | -173.6 | -71.7 | -178.8 | 0 | 0 | 0 | 116.2 | I61 Y65 N66 L78 A97 V99 | I61-L68 HydrophobicContact CD1-CD1 4.08Å; I61-L68 HydrophobicContact CD1-CD2 3.54Å; I61-L68 HydrophobicContact CD1-CG 4.45Å; I61-L68 HydrophobicContact CG1-CD1 4.49Å; I61-L68 HydrophobicContact CG1-CD2 3.83Å; Y65-L68 HydrophobicContact CD1-CD2 3.81Å; Y65-L68 HydrophobicContact CD1-CG 4.22Å; Y65-L68 HydrophobicContact CE1-CD2 4.28Å; N66-L68 VanDerWaalsContact C-N 3.29Å; N66-L68 PolarHBondContact O-N 3.15Å; L68-L78 HydrophobicContact CD2-CD1 4.15Å; L68-A97 HydrophobicContact CD1-CB 4.02Å; L68-A97 WeakPolarHBondContact CD1-O 3.34Å; L68-V99 HydrophobicContact CB-CG2 3.99Å; L68-V99 HydrophobicContact CD2-CG2 4.36Å |
| 69 | N | 94.4 | Very high | 94.7 | Very high | 75 Ų | 75 | 46.8 Ų | 46.8 | 40% | 0.401 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.8 | 12.4 | -177.7 | -74.4 | -59.9 | 0 | 0 | 0 | 113.3 | E67 G98 V99 D100 | E67-N69 PolarHBondContact O-N 3.35Å; N69-G98 PolarHBondContact ND2-O 2.86Å; N69-V99 WeakPolarHBondContact OD1-CA 3.37Å; N69-D100 WeakPolarHBondContact OD1-CB 3.12Å; N69-D100 PolarHBondContact OD1-N 3.38Å |
| 70 | I | 93.5 | Very high | 94.9 | Very high | 76 Ų | 76 | 44 Ų | 44 | 39% | 0.39 | 25% | 0.25 | S | S | . | . | trans | -63.8 | 143.3 | 167.7 | -66.6 | -168.6 | 0 | 0 | 0 | 109.3 | E67 | E67-I70 HydrophobicContact CB-CD1 3.6Å; E67-I70 HydrophobicContact CB-CG1 3.96Å; E67-I70 HydrophobicContact CG-CD1 3.62Å; E67-I70 HydrophobicContact CG-CG1 4.35Å; E67-I70 WeakPolarHBondContact O-CB 3.44Å; E67-I70 WeakPolarHBondContact O-CG1 3.36Å; E67-I70 PolarHBondContact O-N 2.88Å; E67-I70 VanDerWaalsContact O-N 3.07Å; E67-I70 WeakPolarHBondContact OE2-CD1 3.35Å | ||
| 71 | I | 94.5 | Very high | 94.9 | Very high | 82 Ų | 82 | 44.6 Ų | 44.6 | 42% | 0.421 | 25% | 0.253 | S | S | . | . | trans | -100.7 | 131.5 | 176.2 | 61.1 | 179 | 0 | 0 | 0 | 109.6 | C76 | I71-C76 CarbonylContact C-O 3.33Å; I71-C76 WeakPolarHBondContact CA-O 3.43Å | ||
| 72 | G | 92.7 | Very high | 95.1 | Very high | 17 Ų | 17 | 43.1 Ų | 43.1 | 18% | 0.175 | 25% | 0.245 | C | C | . | . | trans | -85.6 | -152.4 | 170.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | E46 G75 C76 | E46-G72 WeakPolarHBondContact OE1-CA 3.36Å; E46-G72 PolarHBondContact OE1-N 3.16Å; G72-G75 PolarHBondContact O-N 3.42Å; G72-G75 VanDerWaalsContact O-N 3.13Å; G72-C76 PolarHBondContact N-O 2.86Å | ||
| 73 | K | 92.2 | Very high | 95.3 | Very high | 101 Ų | 101 | 38.8 Ų | 38.8 | 44% | 0.439 | 22% | 0.215 | S | C | . | . | G | 310 helix | trans | -56.7 | 139.6 | -179.8 | -169.4 | 171.5 | -177.3 | 171.1 | 0 | 111.4 | G75 C76 Y81 | K73-G75 PolarHBondContact O-N 3.41Å; K73-G75 VanDerWaalsContact O-N 3.14Å; K73-C76 WeakPolarHBondContact O-CB 3.26Å; K73-C76 PolarHBondContact O-N 3.02Å; K73-Y81 PolarHBondContact N-OH 3.32Å |
| 74 | N | 94.1 | Very high | 95.5 | Very high | 84 Ų | 84 | 37.8 Ų | 37.8 | 45% | 0.449 | 21% | 0.209 | S | C | . | . | G | 310 helix | trans | 57.8 | 21.7 | -178.2 | -59.7 | -24.5 | 0 | 0 | 0 | 113.9 | C76 N105 V106 | N74-C76 PolarHBondContact O-N 2.99Å; N74-N105 WeakPolarHBondContact O-CB 3.26Å; N74-V106 VanDerWaalsContact C-CG1 3.49Å; N74-V106 HydrophobicContact CB-CG2 3.73Å; N74-V106 WeakPolarHBondContact O-CG1 3.42Å; N74-V106 VanDerWaalsContact O-CG2 3.31Å; N74-V106 WeakPolarHBondContact O-CG2 3.47Å; N74-V106 PolarHBondContact O-N 2.91Å |
| 75 | G | 95.3 | Very high | 95.7 | Very high | 11 Ų | 11 | 42.4 Ų | 42.4 | 11% | 0.113 | 21% | 0.212 | C | C | . | . | G | 310 helix | trans | 71.6 | 14.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114 | G72 K73 | G72-G75 PolarHBondContact O-N 3.42Å; G72-G75 VanDerWaalsContact O-N 3.13Å; K73-G75 PolarHBondContact O-N 3.41Å; K73-G75 VanDerWaalsContact O-N 3.14Å |
| 76 | C | 97.1 | Very high | 95.8 | Very high | 9 Ų | 9 | 43.7 Ų | 43.7 | 6% | 0.061 | 22% | 0.22 | C | C | . | . | trans | -70.7 | 145.3 | 173.7 | -71.3 | 0 | 0 | 0 | 0 | 110.3 | I71 G72 K73 N74 H80 Y81 | I71-C76 CarbonylContact C-O 3.33Å; I71-C76 WeakPolarHBondContact CA-O 3.43Å; G72-C76 PolarHBondContact N-O 2.86Å; K73-C76 WeakPolarHBondContact O-CB 3.26Å; K73-C76 PolarHBondContact O-N 3.02Å; N74-C76 PolarHBondContact O-N 2.99Å; C76-H80 HydrophobicContact CB-CB 3.84Å; C76-Y81 HydrophobicContact CB-CD2 4.5Å; C76-Y81 HydrophobicContact CB-CE1 4.23Å; C76-Y81 HydrophobicContact CB-CE2 3.9Å | ||
| 77 | N | 97 | Very high | 96.1 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 19% | 0.191 | C | C | . | . | trans | -112.8 | -179 | 168.1 | 69.1 | 3.4 | 0 | 0 | 0 | 109.7 | V79 H80 Y81 D100 | N77-V79 PolarHBondContact O-N 3.48Å; N77-V79 VanDerWaalsContact O-N 3.17Å; N77-V79 PolarHBondContact OD1-N 2.62Å; N77-H80 PolarHBondContact N-ND1 3.18Å; N77-H80 VanDerWaalsContact N-ND1 3.17Å; N77-H80 WeakPolarHBondContact O-CB 3.32Å; N77-H80 PolarHBondContact O-N 2.96Å; N77-H80 PolarHBondContact OD1-N 3.38Å; N77-H80 VanDerWaalsContact OD1-N 3.14Å; N77-H80 PolarHBondContact OD1-ND1 3.26Å; N77-Y81 WeakPolarHBondContact O-CD2 3.49Å; N77-Y81 PolarHBondContact O-N 3.34Å; N77-D100 PolarHBondContact ND2-O 2.95Å | ||
| 78 | L | 97.8 | Very high | 96.4 | Very high | 7 Ų | 7 | 36.2 Ų | 36.2 | 4% | 0.037 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -53.1 | -39.9 | -178.2 | -55 | 179.3 | 0 | 0 | 0 | 113 | I45 E46 T49 L68 H80 Y81 A82 L94 | I45-L78 HydrophobicContact CD1-CD1 4.32Å; I45-L78 HydrophobicContact CG1-CD2 4.44Å; I45-L78 HydrophobicContact CG2-CD2 4.22Å; E46-L78 HydrophobicContact CG-CD2 3.93Å; T49-L78 HydrophobicContact CG2-CB 4.34Å; T49-L78 VanDerWaalsContact CG2-O 3.27Å; T49-L78 WeakPolarHBondContact CG2-O 3.26Å; L68-L78 HydrophobicContact CD2-CD1 4.15Å; L78-H80 PolarHBondContact O-N 2.83Å; L78-Y81 PolarHBondContact O-N 3.18Å; L78-A82 WeakPolarHBondContact O-CB 3.13Å; L78-A82 PolarHBondContact O-N 3.07Å; L78-L94 HydrophobicContact CB-CD1 3.72Å; L78-L94 HydrophobicContact CB-CD2 4.22Å; L78-L94 HydrophobicContact CD1-CD2 3.9Å |
| 79 | V | 98.3 | Very high | 96.6 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -70.6 | -31.9 | -179.5 | -179.5 | 0 | 0 | 0 | 0 | 112 | N77 A83 I91 L94 V99 V101 A111 L127 | N77-V79 PolarHBondContact O-N 3.48Å; N77-V79 VanDerWaalsContact O-N 3.17Å; N77-V79 PolarHBondContact OD1-N 2.62Å; V79-A83 WeakPolarHBondContact O-CB 3.3Å; V79-A83 PolarHBondContact O-N 3.3Å; V79-I91 HydrophobicContact CG1-CG1 4.47Å; V79-I91 HydrophobicContact CG1-CG2 4.01Å; V79-L94 HydrophobicContact CG2-CB 3.84Å; V79-L94 HydrophobicContact CG2-CD1 4.08Å; V79-V99 HydrophobicContact CB-CG1 4.45Å; V79-V99 HydrophobicContact CG2-CB 3.99Å; V79-V99 HydrophobicContact CG2-CG1 3.56Å; V79-V101 HydrophobicContact CG1-CG1 4.2Å; V79-V101 HydrophobicContact CG1-CG2 4.3Å; V79-V101 HydrophobicContact CG2-CG2 4.2Å; V79-A111 HydrophobicContact CB-CB 4.42Å; V79-A111 HydrophobicContact CG1-CB 3.62Å; V79-L127 HydrophobicContact CG1-CD2 4.1Å |
| 80 | H | 98.5 | Very high | 96.8 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -61.8 | -46.5 | 170.6 | -69.2 | 91.9 | 0 | 0 | 0 | 111.3 | C76 N77 L78 A83 M84 R103 E109 L114 | C76-H80 HydrophobicContact CB-CB 3.84Å; N77-H80 PolarHBondContact N-ND1 3.18Å; N77-H80 VanDerWaalsContact N-ND1 3.17Å; N77-H80 WeakPolarHBondContact O-CB 3.32Å; N77-H80 PolarHBondContact O-N 2.96Å; N77-H80 PolarHBondContact OD1-N 3.38Å; N77-H80 VanDerWaalsContact OD1-N 3.14Å; N77-H80 PolarHBondContact OD1-ND1 3.26Å; L78-H80 PolarHBondContact O-N 2.83Å; H80-A83 PolarHBondContact O-N 3.14Å; H80-M84 WeakPolarHBondContact O-CG 3.38Å; H80-M84 PolarHBondContact O-N 3.31Å; H80-R103 PolarHBondContact CE1-O 2.96Å; H80-R103 PolarHBondContact NE2-O 2.72Å; H80-R103 VanDerWaalsContact NE2-O 3.16Å; H80-E109 PolarHBondContact NE2-O 2.93Å; H80-L114 HydrophobicContact CB-CD1 3.91Å |
| 81 | Y | 97.8 | Very high | 97 | Very high | 13 Ų | 13 | 33.4 Ų | 33.4 | 5% | 0.051 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -61.8 | -52.3 | 178 | -64.7 | -67.5 | 0 | 0 | 0 | 110.9 | E46 I50 K73 C76 N77 L78 A83 M84 W85 | E46-Y81 HydrophobicContact CB-CD2 4.34Å; E46-Y81 HydrophobicContact CB-CE2 4.11Å; E46-Y81 HydrophobicContact CG-CD2 4.12Å; E46-Y81 HydrophobicContact CG-CE2 3.71Å; I50-Y81 HydrophobicContact CD1-CD1 3.98Å; I50-Y81 HydrophobicContact CD1-CE1 4.38Å; I50-Y81 HydrophobicContact CG1-CD1 4.03Å; I50-Y81 HydrophobicContact CG1-CG 4.32Å; K73-Y81 PolarHBondContact N-OH 3.32Å; C76-Y81 HydrophobicContact CB-CD2 4.5Å; C76-Y81 HydrophobicContact CB-CE1 4.23Å; C76-Y81 HydrophobicContact CB-CE2 3.9Å; N77-Y81 WeakPolarHBondContact O-CD2 3.49Å; N77-Y81 PolarHBondContact O-N 3.34Å; L78-Y81 PolarHBondContact O-N 3.18Å; Y81-A83 VanDerWaalsContact C-N 3.25Å; Y81-A83 PolarHBondContact O-N 3.02Å; Y81-M84 HydrophobicContact CD1-CE 3.61Å; Y81-M84 HydrophobicContact CE1-CE 4.2Å; Y81-M84 HydrophobicContact CG-CE 4.36Å; Y81-M84 PolarHBondContact O-N 3.27Å; Y81-M84 VanDerWaalsContact O-N 3.16Å; Y81-W85 VanDerWaalsContact O-CD1 3.23Å; Y81-W85 PolarHBondContact O-N 3.21Å |
| 82 | A | 98.4 | Very high | 97.2 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -57.3 | -38.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | T49 L78 W85 N86 H87 L90 I91 L94 | T49-A82 HydrophobicContact CG2-CB 3.95Å; L78-A82 WeakPolarHBondContact O-CB 3.13Å; L78-A82 PolarHBondContact O-N 3.07Å; A82-W85 PolarHBondContact O-N 2.97Å; A82-N86 PolarHBondContact O-N 2.68Å; A82-N86 VanDerWaalsContact O-N 3.09Å; A82-H87 HydrophobicContact CB-CB 4.17Å; A82-H87 PolarHBondContact O-N 2.74Å; A82-L90 HydrophobicContact CB-CD2 4.3Å; A82-L90 HydrophobicContact CB-CG 4.4Å; A82-I91 HydrophobicContact CB-CD1 4.39Å; A82-I91 HydrophobicContact CB-CG1 3.56Å; A82-L94 HydrophobicContact CB-CD1 4.39Å |
| 83 | A | 98.7 | Very high | 97.4 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -67.3 | -41.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | V79 H80 Y81 W85 N86 I91 A111 A115 Q120 L127 | V79-A83 WeakPolarHBondContact O-CB 3.3Å; V79-A83 PolarHBondContact O-N 3.3Å; H80-A83 PolarHBondContact O-N 3.14Å; Y81-A83 VanDerWaalsContact C-N 3.25Å; Y81-A83 PolarHBondContact O-N 3.02Å; A83-W85 PolarHBondContact O-N 2.67Å; A83-N86 PolarHBondContact O-N 2.86Å; A83-I91 HydrophobicContact CB-CD1 4.03Å; A83-A111 HydrophobicContact CB-CB 3.86Å; A83-A111 WeakPolarHBondContact CB-O 3.37Å; A83-A115 HydrophobicContact CB-CB 4.29Å; A83-Q120 WeakPolarHBondContact O-CB 3.44Å; A83-Q120 WeakPolarHBondContact O-CG 3.32Å; A83-L127 HydrophobicContact CB-CD1 4.01Å |
| 84 | M | 98.1 | Very high | 97.7 | Very high | 36 Ų | 36 | 27.4 Ų | 27.4 | 18% | 0.177 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -63.1 | -27.9 | 176.6 | -74.1 | -174.2 | -66.7 | 0 | 0 | 113 | H80 Y81 L114 Y118 Q120 | H80-M84 WeakPolarHBondContact O-CG 3.38Å; H80-M84 PolarHBondContact O-N 3.31Å; Y81-M84 HydrophobicContact CD1-CE 3.61Å; Y81-M84 HydrophobicContact CE1-CE 4.2Å; Y81-M84 HydrophobicContact CG-CE 4.36Å; Y81-M84 PolarHBondContact O-N 3.27Å; Y81-M84 VanDerWaalsContact O-N 3.16Å; M84-L114 HydrophobicContact CG-CB 3.96Å; M84-L114 HydrophobicContact CG-CD1 3.77Å; M84-L114 HydrophobicContact CG-CG 4.38Å; M84-L114 HydrophobicContact SD-CD1 3.92Å; M84-Y118 HydrophobicContact CB-CD2 4.32Å; M84-Y118 HydrophobicContact CG-CD2 3.86Å; M84-Y118 HydrophobicContact CG-CE2 3.77Å; M84-Y118 HydrophobicContact SD-CE2 3.93Å; M84-Q120 PolarHBondContact O-NE2 3.12Å |
| 85 | W | 98.2 | Very high | 97.8 | Very high | 143 Ų | 143 | 24.9 Ų | 24.9 | 54% | 0.542 | 12% | 0.119 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -106.4 | 7.7 | -176.4 | -66 | 97.7 | 0 | 0 | 0 | 114.3 | I50 Y81 A82 A83 H87 | I50-W85 HydrophobicContact CG2-CD2 4.09Å; I50-W85 HydrophobicContact CG2-CG 4.36Å; I50-W85 HydrophobicContact CG2-CZ2 3.84Å; Y81-W85 VanDerWaalsContact O-CD1 3.23Å; Y81-W85 PolarHBondContact O-N 3.21Å; A82-W85 PolarHBondContact O-N 2.97Å; A83-W85 PolarHBondContact O-N 2.67Å; W85-H87 VanDerWaalsContact CB-NE2 3.25Å; W85-H87 WeakPolarHBondContact CB-NE2 3.35Å; W85-H87 PolarHBondContact O-CE1 3.05Å; W85-H87 VanDerWaalsContact O-CE1 3.24Å; W85-H87 PolarHBondContact O-ND1 3.26Å |
| 86 | N | 98.5 | Very high | 97.9 | Very high | 42 Ų | 42 | 28.2 Ų | 28.2 | 23% | 0.225 | 13% | 0.13 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 68.1 | 25.6 | 176.7 | -148.7 | 22.1 | 0 | 0 | 0 | 116.9 | A82 A83 A88 Q120 E122 A123 | A82-N86 PolarHBondContact O-N 2.68Å; A82-N86 VanDerWaalsContact O-N 3.09Å; A83-N86 PolarHBondContact O-N 2.86Å; N86-A88 VanDerWaalsContact C-N 3.25Å; N86-A88 PolarHBondContact O-N 3.03Å; N86-Q120 HydrophobicContact CB-CB 3.92Å; N86-Q120 HydrophobicContact CB-CG 4.16Å; N86-Q120 VanDerWaalsContact CB-OE1 3.27Å; N86-Q120 VanDerWaalsContact OD1-C 3.29Å; N86-Q120 WeakPolarHBondContact OD1-CB 3.25Å; N86-E122 PolarHBondContact ND2-OE2 2.79Å; N86-E122 WeakPolarHBondContact OD1-CB 3.38Å; N86-E122 PolarHBondContact OD1-N 3.4Å; N86-E122 PolarHBondContact OD1-OE2 3.38Å; N86-A123 PolarHBondContact OD1-N 3.17Å |
| 87 | H | 98.4 | Very high | 97.8 | Very high | 30 Ų | 30 | 29.3 Ų | 29.3 | 14% | 0.139 | 14% | 0.14 | C | C | . | . | trans | -83.9 | 66.1 | -175.8 | -55.9 | -32.9 | 0 | 0 | 0 | 111.4 | T49 I50 D52 A82 W85 D89 L90 I91 | T49-H87 PolarHBondContact O-CD2 2.97Å; I50-H87 PolarHBondContact O-NE2 3.04Å; D52-H87 HydrophobicContact CB-CB 4.5Å; A82-H87 HydrophobicContact CB-CB 4.17Å; A82-H87 PolarHBondContact O-N 2.74Å; W85-H87 VanDerWaalsContact CB-NE2 3.25Å; W85-H87 WeakPolarHBondContact CB-NE2 3.35Å; W85-H87 PolarHBondContact O-CE1 3.05Å; W85-H87 VanDerWaalsContact O-CE1 3.24Å; W85-H87 PolarHBondContact O-ND1 3.26Å; H87-D89 VanDerWaalsContact C-N 3.34Å; H87-D89 PolarHBondContact O-N 3.29Å; H87-L90 HydrophobicContact CB-CB 3.92Å; H87-L90 HydrophobicContact CB-CD2 4.35Å; H87-L90 WeakPolarHBondContact O-CB 3.37Å; H87-L90 PolarHBondContact O-N 3.21Å; H87-L90 VanDerWaalsContact O-N 3.07Å; H87-I91 WeakPolarHBondContact O-CG1 3.3Å; H87-I91 PolarHBondContact O-N 3.37Å | ||
| 88 | A | 98.1 | Very high | 97.8 | Very high | 18 Ų | 18 | 31.5 Ų | 31.5 | 15% | 0.149 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -57.7 | -41.9 | -170 | 0 | 0 | 0 | 0 | 0 | 114 | N86 L90 I91 K92 E122 I126 | N86-A88 VanDerWaalsContact C-N 3.25Å; N86-A88 PolarHBondContact O-N 3.03Å; A88-L90 VanDerWaalsContact C-N 3.33Å; A88-L90 PolarHBondContact O-N 2.96Å; A88-I91 WeakPolarHBondContact O-CB 3.35Å; A88-I91 PolarHBondContact O-N 3.48Å; A88-K92 PolarHBondContact O-N 3.45Å; A88-E122 HydrophobicContact CB-CB 3.72Å; A88-E122 WeakPolarHBondContact CB-O 3.3Å; A88-I126 HydrophobicContact CB-CB 4.29Å; A88-I126 HydrophobicContact CB-CG2 3.83Å |
| 89 | D | 97.4 | Very high | 97.7 | Very high | 108 Ų | 108 | 31.5 Ų | 31.5 | 58% | 0.578 | 16% | 0.163 | S | C | * | . | H | α-helix | trans | -64.5 | -38.3 | 177.2 | -81.5 | -12.1 | 0 | 0 | 0 | 112.1 | H87 K92 Y93 | H87-D89 VanDerWaalsContact C-N 3.34Å; H87-D89 PolarHBondContact O-N 3.29Å; D89-K92 PolarHBondContact O-N 2.99Å; D89-Y93 PolarHBondContact O-N 3.06Å |
| 90 | L | 98.2 | Very high | 97.7 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -68.3 | -40.5 | 175.4 | -178.2 | 58 | 0 | 0 | 0 | 111.4 | T49 I57 A82 H87 A88 K92 Y93 L94 | T49-L90 HydrophobicContact CG2-CD2 3.91Å; I57-L90 HydrophobicContact CD1-CD1 3.8Å; I57-L90 HydrophobicContact CD1-CD2 3.73Å; I57-L90 HydrophobicContact CD1-CG 4.41Å; I57-L90 HydrophobicContact CG2-CD1 4.35Å; A82-L90 HydrophobicContact CB-CD2 4.3Å; A82-L90 HydrophobicContact CB-CG 4.4Å; H87-L90 HydrophobicContact CB-CB 3.92Å; H87-L90 HydrophobicContact CB-CD2 4.35Å; H87-L90 WeakPolarHBondContact O-CB 3.37Å; H87-L90 PolarHBondContact O-N 3.21Å; H87-L90 VanDerWaalsContact O-N 3.07Å; A88-L90 VanDerWaalsContact C-N 3.33Å; A88-L90 PolarHBondContact O-N 2.96Å; L90-K92 VanDerWaalsContact C-N 3.3Å; L90-K92 PolarHBondContact O-N 2.9Å; L90-Y93 HydrophobicContact CD1-CD1 4.35Å; L90-Y93 PolarHBondContact O-N 2.97Å; L90-L94 HydrophobicContact CD1-CD1 4.27Å; L90-L94 HydrophobicContact CD1-CG 4.09Å; L90-L94 HydrophobicContact CG-CD1 3.96Å; L90-L94 HydrophobicContact CG-CG 4.27Å; L90-L94 WeakPolarHBondContact O-CB 3.37Å; L90-L94 VanDerWaalsContact O-CG 3.25Å; L90-L94 WeakPolarHBondContact O-CG 3.19Å; L90-L94 PolarHBondContact O-N 3.08Å |
| 91 | I | 98.5 | Very high | 97.7 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -55.9 | -47.5 | 173.3 | -66.5 | 169 | 0 | 0 | 0 | 110.5 | V79 A82 A83 H87 A88 Y93 L94 Y95 A123 I126 L127 I130 | V79-I91 HydrophobicContact CG1-CG1 4.47Å; V79-I91 HydrophobicContact CG1-CG2 4.01Å; A82-I91 HydrophobicContact CB-CD1 4.39Å; A82-I91 HydrophobicContact CB-CG1 3.56Å; A83-I91 HydrophobicContact CB-CD1 4.03Å; H87-I91 WeakPolarHBondContact O-CG1 3.3Å; H87-I91 PolarHBondContact O-N 3.37Å; A88-I91 WeakPolarHBondContact O-CB 3.35Å; A88-I91 PolarHBondContact O-N 3.48Å; I91-Y93 VanDerWaalsContact C-N 3.33Å; I91-Y93 PolarHBondContact O-N 3.48Å; I91-L94 PolarHBondContact O-N 3.2Å; I91-Y95 PolarHBondContact O-N 3.48Å; I91-A123 HydrophobicContact CD1-CB 3.63Å; I91-I126 HydrophobicContact CB-CG2 3.98Å; I91-I126 HydrophobicContact CD1-CG2 4.01Å; I91-I126 HydrophobicContact CG2-CG2 3.86Å; I91-L127 HydrophobicContact CD1-CD1 4.32Å; I91-L127 HydrophobicContact CD1-CG 4.45Å; I91-L127 HydrophobicContact CG2-CD2 3.74Å; I91-L127 HydrophobicContact CG2-CG 4.14Å; I91-I130 HydrophobicContact CG2-CD1 3.73Å |
| 92 | K | 97.6 | Very high | 97.7 | Very high | 23 Ų | 23 | 38.5 Ų | 38.5 | 10% | 0.1 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -60.3 | -44.1 | 178.2 | -166.5 | 176.9 | -171.4 | 175.7 | 0 | 111.8 | A88 D89 L90 Y95 F96 I126 K178 E179 | A88-K92 PolarHBondContact O-N 3.45Å; D89-K92 PolarHBondContact O-N 2.99Å; L90-K92 VanDerWaalsContact C-N 3.3Å; L90-K92 PolarHBondContact O-N 2.9Å; K92-Y95 PolarHBondContact O-N 2.64Å; K92-F96 HydrophobicContact CG-CD2 4.19Å; K92-F96 HydrophobicContact CG-CE2 3.96Å; K92-F96 VanDerWaalsContact O-CD2 3.26Å; K92-F96 WeakPolarHBondContact O-CD2 3.42Å; K92-F96 PolarHBondContact O-N 2.9Å; K92-I126 HydrophobicContact CB-CD1 3.93Å; K92-I126 HydrophobicContact CB-CG1 3.89Å; K92-I126 HydrophobicContact CD-CD1 3.8Å; K92-I126 HydrophobicContact CG-CD1 3.91Å; K92-I126 HydrophobicContact CG-CG1 4.39Å; K92-K178 VanDerWaalsContact CE-O 3.26Å; K92-K178 WeakPolarHBondContact CE-O 3.4Å; K92-K178 PolarHBondContact NZ-O 3.16Å; K92-E179 IonicContact NZ-OE1 2.96Å; K92-E179 PolarHBondContact NZ-OE1 3.1Å; K92-E179 VanDerWaalsContact NZ-OE1 3.12Å; K92-E179 IonicContact NZ-OE2 2.72Å; K92-E179 PolarHBondContact NZ-OE2 2.82Å |
| 93 | Y | 97.1 | Very high | 97.7 | Very high | 51 Ų | 51 | 42.9 Ų | 42.9 | 20% | 0.2 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -62.2 | -49.2 | 177.4 | 176.9 | -102.2 | 0 | 0 | 0 | 111.8 | I57 E58 I61 D89 L90 I91 Y95 F96 A97 | I57-Y93 HydrophobicContact CG2-CE1 4.43Å; E58-Y93 WeakPolarHBondContact CA-OH 3.49Å; E58-Y93 HydrophobicContact CB-CE1 4.44Å; E58-Y93 HydrophobicContact CG-CD1 4.16Å; E58-Y93 HydrophobicContact CG-CD2 4.22Å; E58-Y93 HydrophobicContact CG-CE1 3.7Å; E58-Y93 HydrophobicContact CG-CE2 3.8Å; E58-Y93 HydrophobicContact CG-CG 4.41Å; I61-Y93 HydrophobicContact CD1-CE1 3.58Å; I61-Y93 HydrophobicContact CG1-CE1 4.45Å; D89-Y93 PolarHBondContact O-N 3.06Å; L90-Y93 HydrophobicContact CD1-CD1 4.35Å; L90-Y93 PolarHBondContact O-N 2.97Å; I91-Y93 VanDerWaalsContact C-N 3.33Å; I91-Y93 PolarHBondContact O-N 3.48Å; Y93-Y95 VanDerWaalsContact C-N 3.31Å; Y93-Y95 PolarHBondContact O-N 3.02Å; Y93-F96 PolarHBondContact O-N 3.03Å; Y93-F96 VanDerWaalsContact O-N 3.12Å; Y93-A97 PolarHBondContact O-N 3.4Å |
| 94 | L | 97.5 | Very high | 97.6 | Very high | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -60.4 | -38.6 | 178.6 | -69.4 | 171.8 | 0 | 0 | 0 | 112.3 | I57 I61 L78 V79 A82 L90 I91 A97 G98 V99 | I57-L94 HydrophobicContact CG2-CD2 4.24Å; I61-L94 HydrophobicContact CD1-CD2 4.48Å; L78-L94 HydrophobicContact CB-CD1 3.72Å; L78-L94 HydrophobicContact CB-CD2 4.22Å; L78-L94 HydrophobicContact CD1-CD2 3.9Å; V79-L94 HydrophobicContact CG2-CB 3.84Å; V79-L94 HydrophobicContact CG2-CD1 4.08Å; A82-L94 HydrophobicContact CB-CD1 4.39Å; L90-L94 HydrophobicContact CD1-CD1 4.27Å; L90-L94 HydrophobicContact CD1-CG 4.09Å; L90-L94 HydrophobicContact CG-CD1 3.96Å; L90-L94 HydrophobicContact CG-CG 4.27Å; L90-L94 WeakPolarHBondContact O-CB 3.37Å; L90-L94 VanDerWaalsContact O-CG 3.25Å; L90-L94 WeakPolarHBondContact O-CG 3.19Å; L90-L94 PolarHBondContact O-N 3.08Å; I91-L94 PolarHBondContact O-N 3.2Å; L94-A97 PolarHBondContact O-N 3.04Å; L94-G98 PolarHBondContact O-N 2.93Å; L94-V99 HydrophobicContact CB-CB 4.15Å; L94-V99 HydrophobicContact CB-CG2 3.88Å; L94-V99 HydrophobicContact CD2-CG2 3.96Å; L94-V99 HydrophobicContact CG-CG2 4.47Å; L94-V99 WeakPolarHBondContact O-CB 3.41Å; L94-V99 WeakPolarHBondContact O-CG2 3.41Å; L94-V99 PolarHBondContact O-N 3.36Å |
| 95 | Y | 97.6 | Very high | 97.6 | Very high | 31 Ų | 31 | 48.2 Ų | 48.2 | 12% | 0.122 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -57.2 | -49.7 | 172.2 | 164.9 | -104.2 | 0 | 0 | 0 | 111.8 | I91 K92 Y93 A97 G98 V101 W129 I130 R133 D134 | I91-Y95 PolarHBondContact O-N 3.48Å; K92-Y95 PolarHBondContact O-N 2.64Å; Y93-Y95 VanDerWaalsContact C-N 3.31Å; Y93-Y95 PolarHBondContact O-N 3.02Å; Y95-A97 VanDerWaalsContact C-N 3.26Å; Y95-A97 PolarHBondContact O-N 3.38Å; Y95-G98 PolarHBondContact O-N 3.36Å; Y95-G98 VanDerWaalsContact O-N 3.08Å; Y95-V101 HydrophobicContact CD2-CG2 3.92Å; Y95-V101 HydrophobicContact CG-CG2 4.44Å; Y95-W129 HydrophobicContact CE1-CZ3 4.34Å; Y95-I130 HydrophobicContact CD1-CG1 4.12Å; Y95-I130 HydrophobicContact CD2-CB 4.46Å; Y95-I130 HydrophobicContact CD2-CD1 4.36Å; Y95-I130 HydrophobicContact CD2-CG1 4.16Å; Y95-I130 HydrophobicContact CD2-CG2 3.49Å; Y95-I130 VanDerWaalsContact CD2-CG2 3.49Å; Y95-I130 HydrophobicContact CE2-CG2 3.54Å; Y95-I130 HydrophobicContact CG-CD1 3.97Å; Y95-I130 HydrophobicContact CG-CG1 3.89Å; Y95-I130 HydrophobicContact CG-CG2 4.12Å; Y95-R133 WeakPolarHBondContact OH-CD 3.32Å; Y95-D134 PolarHBondContact OH-OD1 3.31Å |
| 96 | F | 96.2 | Very high | 97.6 | Very high | 82 Ų | 82 | 46.1 Ų | 46.1 | 36% | 0.36 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -68.7 | -24.5 | 177.8 | -76.7 | -61.1 | 0 | 0 | 0 | 113.6 | K92 Y93 G98 W129 K178 | K92-F96 HydrophobicContact CG-CD2 4.19Å; K92-F96 HydrophobicContact CG-CE2 3.96Å; K92-F96 VanDerWaalsContact O-CD2 3.26Å; K92-F96 WeakPolarHBondContact O-CD2 3.42Å; K92-F96 PolarHBondContact O-N 2.9Å; Y93-F96 PolarHBondContact O-N 3.03Å; Y93-F96 VanDerWaalsContact O-N 3.12Å; F96-G98 PolarHBondContact O-N 3.21Å; F96-W129 HydrophobicContact CE2-CH2 4.34Å; F96-W129 AromaticContact CZ-CH2 3.97Å; F96-W129 HydrophobicContact CZ-CH2 3.97Å; F96-W129 HydrophobicContact CZ-CZ3 4.35Å; F96-K178 HydrophobicContact CE1-CD 4.1Å; F96-K178 HydrophobicContact CE1-CG 4.33Å; F96-K178 HydrophobicContact CZ-CB 3.98Å; F96-K178 HydrophobicContact CZ-CD 4.03Å; F96-K178 HydrophobicContact CZ-CG 4.01Å |
| 97 | A | 96.3 | Very high | 97.6 | Very high | 31 Ų | 31 | 50.2 Ų | 50.2 | 26% | 0.256 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.7 | -7.1 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | I61 L68 Y93 L94 Y95 | I61-A97 HydrophobicContact CD1-CB 3.69Å; I61-A97 HydrophobicContact CG2-CB 4.33Å; L68-A97 HydrophobicContact CD1-CB 4.02Å; L68-A97 WeakPolarHBondContact CD1-O 3.34Å; Y93-A97 PolarHBondContact O-N 3.4Å; L94-A97 PolarHBondContact O-N 3.04Å; Y95-A97 VanDerWaalsContact C-N 3.26Å; Y95-A97 PolarHBondContact O-N 3.38Å |
| 98 | G | 96.1 | Very high | 97.5 | Very high | 47 Ų | 47 | 50.1 Ų | 50.1 | 49% | 0.485 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 91.9 | 21.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 115 | N69 L94 Y95 F96 | N69-G98 PolarHBondContact ND2-O 2.86Å; L94-G98 PolarHBondContact O-N 2.93Å; Y95-G98 PolarHBondContact O-N 3.36Å; Y95-G98 VanDerWaalsContact O-N 3.08Å; F96-G98 PolarHBondContact O-N 3.21Å |
| 99 | V | 97.3 | Very high | 97.5 | Very high | 6 Ų | 6 | 51 Ų | 51 | 4% | 0.036 | 26% | 0.263 | C | S | . | . | trans | -72.9 | 136.5 | 170.4 | -176.3 | 0 | 0 | 0 | 0 | 110.1 | L68 N69 V79 L94 V101 | L68-V99 HydrophobicContact CB-CG2 3.99Å; L68-V99 HydrophobicContact CD2-CG2 4.36Å; N69-V99 WeakPolarHBondContact OD1-CA 3.37Å; V79-V99 HydrophobicContact CB-CG1 4.45Å; V79-V99 HydrophobicContact CG2-CB 3.99Å; V79-V99 HydrophobicContact CG2-CG1 3.56Å; L94-V99 HydrophobicContact CB-CB 4.15Å; L94-V99 HydrophobicContact CB-CG2 3.88Å; L94-V99 HydrophobicContact CD2-CG2 3.96Å; L94-V99 HydrophobicContact CG-CG2 4.47Å; L94-V99 WeakPolarHBondContact O-CB 3.41Å; L94-V99 WeakPolarHBondContact O-CG2 3.41Å; L94-V99 PolarHBondContact O-N 3.36Å; V99-V101 PolarHBondContact O-N 3.12Å | ||
| 100 | D | 97.7 | Very high | 97.6 | Very high | 56 Ų | 56 | 47 Ų | 47 | 30% | 0.299 | 24% | 0.242 | S | C | . | . | trans | -69.5 | 93.8 | 178.5 | 179 | 8.7 | 0 | 0 | 0 | 111.6 | N69 N77 Y102 R103 | N69-D100 WeakPolarHBondContact OD1-CB 3.12Å; N69-D100 PolarHBondContact OD1-N 3.38Å; N77-D100 PolarHBondContact ND2-O 2.95Å; D100-Y102 PolarHBondContact O-N 2.6Å; D100-Y102 PolarHBondContact OD1-N 3.22Å; D100-Y102 VanDerWaalsContact OD1-N 3.14Å; D100-R103 HydrophobicContact CB-CB 4.42Å; D100-R103 PolarHBondContact OD1-N 3.49Å; D100-R103 VanDerWaalsContact OD1-N 3.17Å; D100-R103 WeakPolarHBondContact OD2-CB 3.32Å; D100-R103 IonicContact OD2-NE 3.92Å; D100-R103 PolarHBondContact OD2-NE 2.95Å; D100-R103 IonicContact OD2-NH2 2.99Å | ||
| 101 | V | 98.2 | Very high | 97.6 | Very high | 8 Ų | 8 | 47 Ų | 47 | 5% | 0.048 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | -23 | 180 | 178.2 | 0 | 0 | 0 | 0 | 112.7 | V79 Y95 V99 L127 I130 | V79-V101 HydrophobicContact CG1-CG1 4.2Å; V79-V101 HydrophobicContact CG1-CG2 4.3Å; V79-V101 HydrophobicContact CG2-CG2 4.2Å; Y95-V101 HydrophobicContact CD2-CG2 3.92Å; Y95-V101 HydrophobicContact CG-CG2 4.44Å; V99-V101 PolarHBondContact O-N 3.12Å; V101-L127 HydrophobicContact CG1-CD2 3.5Å; V101-L127 VanDerWaalsContact CG1-CD2 3.5Å; V101-I130 HydrophobicContact CB-CG2 4.4Å; V101-I130 HydrophobicContact CG1-CD1 4.46Å; V101-I130 HydrophobicContact CG1-CG2 4.09Å; V101-I130 HydrophobicContact CG2-CD1 4.38Å; V101-I130 HydrophobicContact CG2-CG2 4.34Å |
| 102 | Y | 97.8 | Very high | 97.6 | Very high | 97 Ų | 97 | 48.7 Ų | 48.7 | 38% | 0.38 | 25% | 0.25 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97 | -1.6 | -173.1 | -56.2 | -67.3 | 0 | 0 | 0 | 114.1 | D100 K104 E131 D134 | D100-Y102 PolarHBondContact O-N 2.6Å; D100-Y102 PolarHBondContact OD1-N 3.22Å; D100-Y102 VanDerWaalsContact OD1-N 3.14Å; Y102-K104 PolarHBondContact O-N 3.04Å; Y102-E131 HydrophobicContact CE1-CG 3.92Å; Y102-D134 WeakPolarHBondContact CE2-OD2 2.95Å; Y102-D134 VanDerWaalsContact CZ-OD2 3.3Å; Y102-D134 WeakPolarHBondContact OH-CB 3.47Å; Y102-D134 PolarHBondContact OH-OD2 3.43Å |
| 103 | R | 97.7 | Very high | 97.7 | Very high | 91 Ų | 91 | 52.9 Ų | 52.9 | 34% | 0.343 | 27% | 0.268 | S | S | . | . | trans | -51.5 | 141.1 | 175 | -178.6 | 152.7 | -75.3 | -103.9 | 0.4 | 110.6 | H80 D100 | H80-R103 PolarHBondContact CE1-O 2.96Å; H80-R103 PolarHBondContact NE2-O 2.72Å; H80-R103 VanDerWaalsContact NE2-O 3.16Å; D100-R103 HydrophobicContact CB-CB 4.42Å; D100-R103 PolarHBondContact OD1-N 3.49Å; D100-R103 VanDerWaalsContact OD1-N 3.17Å; D100-R103 WeakPolarHBondContact OD2-CB 3.32Å; D100-R103 IonicContact OD2-NE 3.92Å; D100-R103 PolarHBondContact OD2-NE 2.95Å; D100-R103 IonicContact OD2-NH2 2.99Å | ||
| 104 | K | 98.3 | Very high | 97.7 | Very high | 137 Ų | 137 | 50.6 Ų | 50.6 | 60% | 0.596 | 26% | 0.26 | S | S | * | . | trans | -100.6 | 134.3 | 170.1 | -66.7 | 177.3 | -176.5 | 173.4 | 0 | 109.6 | Y102 E109 T110 | Y102-K104 PolarHBondContact O-N 3.04Å; K104-E109 WeakPolarHBondContact CA-O 3.49Å; K104-T110 HydrophobicContact CG-CG2 3.93Å | ||
| 105 | N | 97.8 | Very high | 97.8 | Very high | 12 Ų | 12 | 50.6 Ų | 50.6 | 6% | 0.064 | 26% | 0.26 | C | S | . | . | trans | -69.4 | -179.9 | 169 | 76.5 | 2.9 | 0 | 0 | 0 | 111 | N74 H107 G108 E109 | N74-N105 WeakPolarHBondContact O-CB 3.26Å; N105-H107 PolarHBondContact O-N 3.45Å; N105-H107 VanDerWaalsContact O-N 3.07Å; N105-H107 WeakPolarHBondContact OD1-CA 3.38Å; N105-H107 WeakPolarHBondContact OD1-CB 3.46Å; N105-H107 PolarHBondContact OD1-N 3.4Å; N105-G108 PolarHBondContact O-N 3.41Å; N105-G108 PolarHBondContact OD1-N 3.2Å; N105-G108 VanDerWaalsContact OD1-N 3.14Å; N105-E109 PolarHBondContact N-O 3.2Å; N105-E109 PolarHBondContact ND2-OE2 3.06Å; N105-E109 VanDerWaalsContact ND2-OE2 3.11Å; N105-E109 PolarHBondContact OD1-N 2.97Å; N105-E109 PolarHBondContact OD1-O 3.4Å | ||
| 106 | V | 97.8 | Very high | 97.8 | Very high | 99 Ų | 99 | 52.6 Ų | 52.6 | 60% | 0.6 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | -15 | 179.4 | -62.7 | 0 | 0 | 0 | 0 | 114 | N74 | N74-V106 VanDerWaalsContact C-CG1 3.49Å; N74-V106 HydrophobicContact CB-CG2 3.73Å; N74-V106 WeakPolarHBondContact O-CG1 3.42Å; N74-V106 VanDerWaalsContact O-CG2 3.31Å; N74-V106 WeakPolarHBondContact O-CG2 3.47Å; N74-V106 PolarHBondContact O-N 2.91Å |
| 107 | H | 97.4 | Very high | 97.9 | Very high | 127 Ų | 127 | 54.1 Ų | 54.1 | 59% | 0.588 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.7 | 2.3 | 175.8 | -54.5 | -61.7 | 0 | 0 | 0 | 112.9 | N105 E109 | N105-H107 PolarHBondContact O-N 3.45Å; N105-H107 VanDerWaalsContact O-N 3.07Å; N105-H107 WeakPolarHBondContact OD1-CA 3.38Å; N105-H107 WeakPolarHBondContact OD1-CB 3.46Å; N105-H107 PolarHBondContact OD1-N 3.4Å; H107-E109 VanDerWaalsContact C-N 3.28Å; H107-E109 HydrophobicContact CB-CG 4.21Å; H107-E109 PolarHBondContact O-N 2.89Å |
| 108 | G | 97.9 | Very high | 98 | Very high | 28 Ų | 28 | 58.1 Ų | 58.1 | 29% | 0.289 | 29% | 0.29 | S | S | . | . | S | Bend | trans | 75.8 | 15.1 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | N105 K113 | N105-G108 PolarHBondContact O-N 3.41Å; N105-G108 PolarHBondContact OD1-N 3.2Å; N105-G108 VanDerWaalsContact OD1-N 3.14Å; G108-K113 PolarHBondContact O-NZ 3.46Å |
| 109 | E | 98.2 | Very high | 98.1 | Very high | 37 Ų | 37 | 63.4 Ų | 63.4 | 17% | 0.173 | 30% | 0.302 | C | S | . | . | trans | -92.2 | 134.9 | 178.6 | -57.9 | 167.9 | 135 | 0 | 0 | 109.6 | H80 K104 N105 H107 K113 L114 K117 | H80-E109 PolarHBondContact NE2-O 2.93Å; K104-E109 WeakPolarHBondContact CA-O 3.49Å; N105-E109 PolarHBondContact N-O 3.2Å; N105-E109 PolarHBondContact ND2-OE2 3.06Å; N105-E109 VanDerWaalsContact ND2-OE2 3.11Å; N105-E109 PolarHBondContact OD1-N 2.97Å; N105-E109 PolarHBondContact OD1-O 3.4Å; H107-E109 VanDerWaalsContact C-N 3.28Å; H107-E109 HydrophobicContact CB-CG 4.21Å; H107-E109 PolarHBondContact O-N 2.89Å; E109-K113 HydrophobicContact CB-CB 4.18Å; E109-K113 HydrophobicContact CB-CD 4.46Å; E109-L114 HydrophobicContact CB-CD2 4.01Å; E109-L114 HydrophobicContact CB-CG 4.26Å; E109-L114 HydrophobicContact CG-CD2 4.43Å; E109-L114 VanDerWaalsContact OE2-CD2 3.29Å; E109-L114 WeakPolarHBondContact OE2-CD2 3.33Å; E109-K117 IonicContact OE1-NZ 2.75Å; E109-K117 PolarHBondContact OE1-NZ 3.26Å; E109-K117 IonicContact OE2-NZ 3.59Å | ||
| 110 | T | 98.4 | Very high | 98.2 | Very high | 23 Ų | 23 | 65.2 Ų | 65.2 | 14% | 0.141 | 31% | 0.311 | C | S | . | . | trans | -88.2 | 169.2 | 167.8 | 57.6 | 0 | 0 | 0 | 0 | 109.7 | K104 H112 K113 L114 | K104-T110 HydrophobicContact CG-CG2 3.93Å; T110-H112 PolarHBondContact O-N 3.03Å; T110-K113 PolarHBondContact O-N 3.27Å; T110-K113 VanDerWaalsContact O-N 3.1Å; T110-K113 PolarHBondContact OG1-N 3.49Å; T110-L114 PolarHBondContact O-N 3.37Å | ||
| 111 | A | 98.5 | Very high | 98.2 | Very high | 0 Ų | 0 | 69.1 Ų | 69.1 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -53.1 | -40 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | V79 A83 L114 A115 L127 | V79-A111 HydrophobicContact CB-CB 4.42Å; V79-A111 HydrophobicContact CG1-CB 3.62Å; A83-A111 HydrophobicContact CB-CB 3.86Å; A83-A111 WeakPolarHBondContact CB-O 3.37Å; A111-L114 PolarHBondContact O-N 3.48Å; A111-A115 PolarHBondContact O-N 3.07Å; A111-L127 HydrophobicContact CB-CD1 4.19Å; A111-L127 HydrophobicContact CB-CD2 4.22Å |
| 112 | H | 98.6 | Very high | 98.2 | Very high | 36 Ų | 36 | 73.7 Ų | 73.7 | 17% | 0.167 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -63.3 | -43.7 | 177.3 | -176.8 | -122.1 | 0 | 0 | 0 | 112.2 | T110 L114 A115 V116 L127 E131 | T110-H112 PolarHBondContact O-N 3.03Å; H112-L114 VanDerWaalsContact C-N 3.3Å; H112-L114 PolarHBondContact O-N 3.01Å; H112-A115 PolarHBondContact O-N 3.37Å; H112-V116 WeakPolarHBondContact O-CG2 3.3Å; H112-V116 PolarHBondContact O-N 2.86Å; H112-L127 HydrophobicContact CB-CB 4.12Å; H112-L127 HydrophobicContact CB-CD1 4.15Å; H112-E131 IonicContact CG-OE1 3.64Å; H112-E131 IonicContact ND1-OE1 2.69Å |
| 113 | K | 98.4 | Very high | 98.3 | Very high | 112 Ų | 112 | 69.1 Ų | 69.1 | 49% | 0.487 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -61.6 | -38.2 | 174.7 | -74.5 | 179.1 | 172.7 | -174.3 | 0 | 112.5 | G108 E109 T110 K117 | G108-K113 PolarHBondContact O-NZ 3.46Å; E109-K113 HydrophobicContact CB-CB 4.18Å; E109-K113 HydrophobicContact CB-CD 4.46Å; T110-K113 PolarHBondContact O-N 3.27Å; T110-K113 VanDerWaalsContact O-N 3.1Å; T110-K113 PolarHBondContact OG1-N 3.49Å; K113-K117 VanDerWaalsContact O-CB 3.31Å; K113-K117 WeakPolarHBondContact O-CB 3.44Å; K113-K117 PolarHBondContact O-N 2.92Å |
| 114 | L | 98.5 | Very high | 98.3 | Very high | 3 Ų | 3 | 67 Ų | 67 | 2% | 0.016 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -66.7 | -44.2 | 175.1 | -66.9 | -176.6 | 0 | 0 | 0 | 111.5 | H80 M84 E109 T110 A111 H112 V116 K117 Y118 | H80-L114 HydrophobicContact CB-CD1 3.91Å; M84-L114 HydrophobicContact CG-CB 3.96Å; M84-L114 HydrophobicContact CG-CD1 3.77Å; M84-L114 HydrophobicContact CG-CG 4.38Å; M84-L114 HydrophobicContact SD-CD1 3.92Å; E109-L114 HydrophobicContact CB-CD2 4.01Å; E109-L114 HydrophobicContact CB-CG 4.26Å; E109-L114 HydrophobicContact CG-CD2 4.43Å; E109-L114 VanDerWaalsContact OE2-CD2 3.29Å; E109-L114 WeakPolarHBondContact OE2-CD2 3.33Å; T110-L114 PolarHBondContact O-N 3.37Å; A111-L114 PolarHBondContact O-N 3.48Å; H112-L114 VanDerWaalsContact C-N 3.3Å; H112-L114 PolarHBondContact O-N 3.01Å; L114-V116 VanDerWaalsContact C-N 3.29Å; L114-V116 PolarHBondContact O-N 3.31Å; L114-K117 HydrophobicContact CD2-CD 4.34Å; L114-K117 PolarHBondContact O-N 3.49Å; L114-K117 VanDerWaalsContact O-N 3.14Å; L114-Y118 HydrophobicContact CB-CD2 4.46Å; L114-Y118 HydrophobicContact CD2-CE2 4.25Å; L114-Y118 VanDerWaalsContact O-CD2 3.24Å; L114-Y118 WeakPolarHBondContact O-CD2 3.48Å; L114-Y118 PolarHBondContact O-N 3.05Å |
| 115 | A | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 66.2 Ų | 66.2 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -56.9 | -44 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | A83 A111 H112 E119 Q120 A123 M124 L127 | A83-A115 HydrophobicContact CB-CB 4.29Å; A111-A115 PolarHBondContact O-N 3.07Å; H112-A115 PolarHBondContact O-N 3.37Å; A115-E119 PolarHBondContact O-N 3.15Å; A115-Q120 HydrophobicContact CB-CB 4.29Å; A115-Q120 PolarHBondContact O-N 3.37Å; A115-A123 HydrophobicContact CB-CB 3.86Å; A115-M124 HydrophobicContact CB-CG 3.71Å; A115-L127 HydrophobicContact CB-CD1 4.07Å |
| 116 | V | 98.6 | Very high | 98.4 | Very high | 72 Ų | 72 | 66.7 Ų | 66.7 | 44% | 0.436 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -61 | -49 | 173.7 | 173.7 | 0 | 0 | 0 | 0 | 111.7 | H112 L114 Y118 E119 M124 | H112-V116 WeakPolarHBondContact O-CG2 3.3Å; H112-V116 PolarHBondContact O-N 2.86Å; L114-V116 VanDerWaalsContact C-N 3.29Å; L114-V116 PolarHBondContact O-N 3.31Å; V116-Y118 VanDerWaalsContact C-N 3.28Å; V116-Y118 PolarHBondContact O-N 3.34Å; V116-E119 PolarHBondContact O-N 2.9Å; V116-E119 VanDerWaalsContact O-N 3.13Å; V116-M124 HydrophobicContact CB-SD 4.46Å; V116-M124 HydrophobicContact CG2-CE 3.86Å; V116-M124 HydrophobicContact CG2-CG 4.03Å; V116-M124 HydrophobicContact CG2-SD 4.02Å |
| 117 | K | 98.3 | Very high | 98.4 | Very high | 115 Ų | 115 | 62 Ų | 62 | 50% | 0.5 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -60.3 | -35.4 | -177.7 | 179.5 | -177.4 | -176.6 | 175.1 | 0 | 113.2 | E109 K113 L114 | E109-K117 IonicContact OE1-NZ 2.75Å; E109-K117 PolarHBondContact OE1-NZ 3.26Å; E109-K117 IonicContact OE2-NZ 3.59Å; K113-K117 VanDerWaalsContact O-CB 3.31Å; K113-K117 WeakPolarHBondContact O-CB 3.44Å; K113-K117 PolarHBondContact O-N 2.92Å; L114-K117 HydrophobicContact CD2-CD 4.34Å; L114-K117 PolarHBondContact O-N 3.49Å; L114-K117 VanDerWaalsContact O-N 3.14Å |
| 118 | Y | 98.1 | Very high | 98.5 | Very high | 115 Ų | 115 | 59 Ų | 59 | 45% | 0.451 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.9 | 9 | 179.2 | -68.2 | -73.9 | 0 | 0 | 0 | 113.2 | M84 L114 V116 Q120 | M84-Y118 HydrophobicContact CB-CD2 4.32Å; M84-Y118 HydrophobicContact CG-CD2 3.86Å; M84-Y118 HydrophobicContact CG-CE2 3.77Å; M84-Y118 HydrophobicContact SD-CE2 3.93Å; L114-Y118 HydrophobicContact CB-CD2 4.46Å; L114-Y118 HydrophobicContact CD2-CE2 4.25Å; L114-Y118 VanDerWaalsContact O-CD2 3.24Å; L114-Y118 WeakPolarHBondContact O-CD2 3.48Å; L114-Y118 PolarHBondContact O-N 3.05Å; V116-Y118 VanDerWaalsContact C-N 3.28Å; V116-Y118 PolarHBondContact O-N 3.34Å; Y118-Q120 VanDerWaalsContact C-N 3.26Å; Y118-Q120 PolarHBondContact O-N 3.06Å |
| 119 | E | 98.6 | Very high | 98.5 | Very high | 157 Ų | 157 | 58.1 Ų | 58.1 | 73% | 0.734 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.4 | 33 | 178.7 | -56.2 | -178.7 | -160.2 | 0 | 0 | 114.7 | A115 V116 K121 | A115-E119 PolarHBondContact O-N 3.15Å; V116-E119 PolarHBondContact O-N 2.9Å; V116-E119 VanDerWaalsContact O-N 3.13Å; E119-K121 PolarHBondContact O-N 3.28Å; E119-K121 VanDerWaalsContact O-N 3.14Å |
| 120 | Q | 98.7 | Very high | 98.5 | Very high | 45 Ų | 45 | 56.4 Ų | 56.4 | 21% | 0.21 | 26% | 0.26 | C | S | . | . | trans | -84.5 | 85.6 | -177.7 | -55.3 | -60.1 | 12.5 | 0 | 0 | 111.1 | A83 M84 N86 A115 Y118 E122 A123 M124 | A83-Q120 WeakPolarHBondContact O-CB 3.44Å; A83-Q120 WeakPolarHBondContact O-CG 3.32Å; M84-Q120 PolarHBondContact O-NE2 3.12Å; N86-Q120 HydrophobicContact CB-CB 3.92Å; N86-Q120 HydrophobicContact CB-CG 4.16Å; N86-Q120 VanDerWaalsContact CB-OE1 3.27Å; N86-Q120 VanDerWaalsContact OD1-C 3.29Å; N86-Q120 WeakPolarHBondContact OD1-CB 3.25Å; A115-Q120 HydrophobicContact CB-CB 4.29Å; A115-Q120 PolarHBondContact O-N 3.37Å; Y118-Q120 VanDerWaalsContact C-N 3.26Å; Y118-Q120 PolarHBondContact O-N 3.06Å; Q120-E122 PolarHBondContact O-N 3.02Å; Q120-A123 HydrophobicContact CB-CB 3.95Å; Q120-A123 PolarHBondContact O-N 3.14Å; Q120-M124 VanDerWaalsContact O-CG 3.3Å; Q120-M124 WeakPolarHBondContact O-CG 3.41Å; Q120-M124 PolarHBondContact O-N 3Å | ||
| 121 | K | 98.4 | Very high | 98.5 | Very high | 137 Ų | 137 | 58.2 Ų | 58.2 | 60% | 0.596 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -60.9 | -46 | -168 | -64.6 | 179.7 | -177.4 | 174.4 | 0 | 113.6 | E119 M124 H125 | E119-K121 PolarHBondContact O-N 3.28Å; E119-K121 VanDerWaalsContact O-N 3.14Å; K121-M124 WeakPolarHBondContact O-CB 3.47Å; K121-M124 PolarHBondContact O-N 3.25Å; K121-H125 PolarHBondContact O-N 3.04Å |
| 122 | E | 98.5 | Very high | 98.5 | Very high | 105 Ų | 105 | 58.6 Ų | 58.6 | 49% | 0.491 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -67 | -40.8 | -178.9 | -67.9 | 75.3 | -175.9 | 0 | 0 | 110.3 | N86 A88 Q120 H125 I126 | N86-E122 PolarHBondContact ND2-OE2 2.79Å; N86-E122 WeakPolarHBondContact OD1-CB 3.38Å; N86-E122 PolarHBondContact OD1-N 3.4Å; N86-E122 PolarHBondContact OD1-OE2 3.38Å; A88-E122 HydrophobicContact CB-CB 3.72Å; A88-E122 WeakPolarHBondContact CB-O 3.3Å; Q120-E122 PolarHBondContact O-N 3.02Å; E122-H125 PolarHBondContact O-N 2.94Å; E122-I126 WeakPolarHBondContact O-CG2 3.25Å; E122-I126 PolarHBondContact O-N 3.22Å |
| 123 | A | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -62.2 | -43.2 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | N86 I91 A115 Q120 I126 L127 | N86-A123 PolarHBondContact OD1-N 3.17Å; I91-A123 HydrophobicContact CD1-CB 3.63Å; A115-A123 HydrophobicContact CB-CB 3.86Å; Q120-A123 HydrophobicContact CB-CB 3.95Å; Q120-A123 PolarHBondContact O-N 3.14Å; A123-I126 VanDerWaalsContact O-CG2 3.29Å; A123-I126 WeakPolarHBondContact O-CG2 3.43Å; A123-I126 PolarHBondContact O-N 3.16Å; A123-L127 WeakPolarHBondContact O-CB 3.28Å; A123-L127 VanDerWaalsContact O-CD1 3.25Å; A123-L127 WeakPolarHBondContact O-CD1 3.44Å; A123-L127 WeakPolarHBondContact O-CG 3.42Å; A123-L127 PolarHBondContact O-N 3.01Å |
| 124 | M | 98.6 | Very high | 98.4 | Very high | 47 Ų | 47 | 53.9 Ų | 53.9 | 23% | 0.232 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -57.3 | -51.5 | 174.2 | -70.6 | 169.4 | 56.7 | 0 | 0 | 111 | A115 V116 Q120 K121 I126 L127 E128 | A115-M124 HydrophobicContact CB-CG 3.71Å; V116-M124 HydrophobicContact CB-SD 4.46Å; V116-M124 HydrophobicContact CG2-CE 3.86Å; V116-M124 HydrophobicContact CG2-CG 4.03Å; V116-M124 HydrophobicContact CG2-SD 4.02Å; Q120-M124 VanDerWaalsContact O-CG 3.3Å; Q120-M124 WeakPolarHBondContact O-CG 3.41Å; Q120-M124 PolarHBondContact O-N 3Å; K121-M124 WeakPolarHBondContact O-CB 3.47Å; K121-M124 PolarHBondContact O-N 3.25Å; M124-I126 PolarHBondContact O-N 2.91Å; M124-L127 PolarHBondContact O-N 3.33Å; M124-E128 WeakPolarHBondContact O-CG 3.35Å; M124-E128 PolarHBondContact O-N 3.4Å |
| 125 | H | 98.2 | Very high | 98.4 | Very high | 120 Ų | 120 | 58.7 Ų | 58.7 | 56% | 0.556 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -60 | -42 | -178.6 | -71 | 164.7 | 0 | 0 | 0 | 113.4 | K121 E122 W129 | K121-H125 PolarHBondContact O-N 3.04Å; E122-H125 PolarHBondContact O-N 2.94Å; H125-W129 WeakPolarHBondContact O-CB 3.42Å; H125-W129 PolarHBondContact O-N 3.16Å |
| 126 | I | 98.5 | Very high | 98.4 | Very high | 22 Ų | 22 | 58.7 Ų | 58.7 | 11% | 0.113 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -72.7 | -32.2 | 179 | -168.7 | 60.9 | 0 | 0 | 0 | 112 | A88 I91 K92 E122 A123 M124 W129 I130 | A88-I126 HydrophobicContact CB-CB 4.29Å; A88-I126 HydrophobicContact CB-CG2 3.83Å; I91-I126 HydrophobicContact CB-CG2 3.98Å; I91-I126 HydrophobicContact CD1-CG2 4.01Å; I91-I126 HydrophobicContact CG2-CG2 3.86Å; K92-I126 HydrophobicContact CB-CD1 3.93Å; K92-I126 HydrophobicContact CB-CG1 3.89Å; K92-I126 HydrophobicContact CD-CD1 3.8Å; K92-I126 HydrophobicContact CG-CD1 3.91Å; K92-I126 HydrophobicContact CG-CG1 4.39Å; E122-I126 WeakPolarHBondContact O-CG2 3.25Å; E122-I126 PolarHBondContact O-N 3.22Å; A123-I126 VanDerWaalsContact O-CG2 3.29Å; A123-I126 WeakPolarHBondContact O-CG2 3.43Å; A123-I126 PolarHBondContact O-N 3.16Å; M124-I126 PolarHBondContact O-N 2.91Å; I126-W129 HydrophobicContact CD1-CB 4.25Å; I126-W129 HydrophobicContact CD1-CD2 4.31Å; I126-W129 HydrophobicContact CD1-CE3 4.08Å; I126-W129 HydrophobicContact CD1-CG 4.39Å; I126-W129 WeakPolarHBondContact O-CB 3.46Å; I126-W129 PolarHBondContact O-N 2.79Å; I126-I130 HydrophobicContact CG1-CD1 4.43Å; I126-I130 WeakPolarHBondContact O-CG1 3.15Å; I126-I130 PolarHBondContact O-N 3.19Å |
| 127 | L | 98.7 | Very high | 98.3 | Very high | 2 Ų | 2 | 57 Ų | 57 | 1% | 0.01 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -69.8 | -40.3 | 175.8 | -71.3 | 163.8 | 0 | 0 | 0 | 111.1 | V79 A83 I91 V101 A111 H112 A115 A123 M124 W129 I130 E131 | V79-L127 HydrophobicContact CG1-CD2 4.1Å; A83-L127 HydrophobicContact CB-CD1 4.01Å; I91-L127 HydrophobicContact CD1-CD1 4.32Å; I91-L127 HydrophobicContact CD1-CG 4.45Å; I91-L127 HydrophobicContact CG2-CD2 3.74Å; I91-L127 HydrophobicContact CG2-CG 4.14Å; V101-L127 HydrophobicContact CG1-CD2 3.5Å; V101-L127 VanDerWaalsContact CG1-CD2 3.5Å; A111-L127 HydrophobicContact CB-CD1 4.19Å; A111-L127 HydrophobicContact CB-CD2 4.22Å; H112-L127 HydrophobicContact CB-CB 4.12Å; H112-L127 HydrophobicContact CB-CD1 4.15Å; A115-L127 HydrophobicContact CB-CD1 4.07Å; A123-L127 WeakPolarHBondContact O-CB 3.28Å; A123-L127 VanDerWaalsContact O-CD1 3.25Å; A123-L127 WeakPolarHBondContact O-CD1 3.44Å; A123-L127 WeakPolarHBondContact O-CG 3.42Å; A123-L127 PolarHBondContact O-N 3.01Å; M124-L127 PolarHBondContact O-N 3.33Å; L127-W129 VanDerWaalsContact C-N 3.27Å; L127-W129 PolarHBondContact O-N 2.95Å; L127-I130 HydrophobicContact CD2-CD1 4.39Å; L127-I130 PolarHBondContact O-N 2.83Å; L127-E131 WeakPolarHBondContact O-CB 3.32Å; L127-E131 WeakPolarHBondContact O-CG 3.29Å; L127-E131 PolarHBondContact O-N 2.94Å |
| 128 | E | 98.5 | Very high | 98.3 | Very high | 62 Ų | 62 | 56 Ų | 56 | 29% | 0.29 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -61.1 | -36.1 | 169.8 | -71.4 | 178 | -175.7 | 0 | 0 | 112.1 | M124 C132 L182 | M124-E128 WeakPolarHBondContact O-CG 3.35Å; M124-E128 PolarHBondContact O-N 3.4Å; E128-C132 VanDerWaalsContact O-CB 3.3Å; E128-C132 WeakPolarHBondContact O-CB 3.43Å; E128-C132 PolarHBondContact O-N 3.3Å; E128-L182 HydrophobicContact CB-CD2 4.02Å |
| 129 | W | 98.5 | Very high | 98.3 | Very high | 11 Ų | 11 | 51.2 Ų | 51.2 | 4% | 0.042 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -64.8 | -43.7 | 173.4 | -176.6 | 99 | 0 | 0 | 0 | 112.6 | Y95 F96 H125 I126 L127 R133 K178 A180 L182 L185 | Y95-W129 HydrophobicContact CE1-CZ3 4.34Å; F96-W129 HydrophobicContact CE2-CH2 4.34Å; F96-W129 AromaticContact CZ-CH2 3.97Å; F96-W129 HydrophobicContact CZ-CH2 3.97Å; F96-W129 HydrophobicContact CZ-CZ3 4.35Å; H125-W129 WeakPolarHBondContact O-CB 3.42Å; H125-W129 PolarHBondContact O-N 3.16Å; I126-W129 HydrophobicContact CD1-CB 4.25Å; I126-W129 HydrophobicContact CD1-CD2 4.31Å; I126-W129 HydrophobicContact CD1-CE3 4.08Å; I126-W129 HydrophobicContact CD1-CG 4.39Å; I126-W129 WeakPolarHBondContact O-CB 3.46Å; I126-W129 PolarHBondContact O-N 2.79Å; L127-W129 VanDerWaalsContact C-N 3.27Å; L127-W129 PolarHBondContact O-N 2.95Å; W129-R133 VanDerWaalsContact CH2-CD 3.44Å; W129-R133 VanDerWaalsContact O-CB 3.26Å; W129-R133 WeakPolarHBondContact O-CB 3.4Å; W129-R133 PolarHBondContact O-N 3.23Å; W129-K178 VanDerWaalsContact CH2-O 3.32Å; W129-K178 WeakPolarHBondContact CH2-O 3.25Å; W129-K178 WeakPolarHBondContact CZ2-O 3.47Å; W129-A180 PolarHBondContact NE1-O 2.91Å; W129-L182 HydrophobicContact CB-CD1 4.42Å; W129-L185 HydrophobicContact CD2-CD2 4.41Å; W129-L185 HydrophobicContact CG-CD2 4.34Å |
| 130 | I | 98.5 | Very high | 98.3 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -62.7 | -48 | 175.7 | -71.4 | 163.4 | 0 | 0 | 0 | 110.5 | I91 Y95 V101 I126 L127 C132 R133 D134 | I91-I130 HydrophobicContact CG2-CD1 3.73Å; Y95-I130 HydrophobicContact CD1-CG1 4.12Å; Y95-I130 HydrophobicContact CD2-CB 4.46Å; Y95-I130 HydrophobicContact CD2-CD1 4.36Å; Y95-I130 HydrophobicContact CD2-CG1 4.16Å; Y95-I130 HydrophobicContact CD2-CG2 3.49Å; Y95-I130 VanDerWaalsContact CD2-CG2 3.49Å; Y95-I130 HydrophobicContact CE2-CG2 3.54Å; Y95-I130 HydrophobicContact CG-CD1 3.97Å; Y95-I130 HydrophobicContact CG-CG1 3.89Å; Y95-I130 HydrophobicContact CG-CG2 4.12Å; V101-I130 HydrophobicContact CB-CG2 4.4Å; V101-I130 HydrophobicContact CG1-CD1 4.46Å; V101-I130 HydrophobicContact CG1-CG2 4.09Å; V101-I130 HydrophobicContact CG2-CD1 4.38Å; V101-I130 HydrophobicContact CG2-CG2 4.34Å; I126-I130 HydrophobicContact CG1-CD1 4.43Å; I126-I130 WeakPolarHBondContact O-CG1 3.15Å; I126-I130 PolarHBondContact O-N 3.19Å; L127-I130 HydrophobicContact CD2-CD1 4.39Å; L127-I130 PolarHBondContact O-N 2.83Å; I130-C132 PolarHBondContact O-N 3.07Å; I130-R133 WeakPolarHBondContact O-CB 3.48Å; I130-R133 PolarHBondContact O-N 3.3Å; I130-R133 VanDerWaalsContact O-N 3.14Å; I130-D134 PolarHBondContact O-N 3.2Å |
| 131 | E | 98.2 | Very high | 98.2 | Very high | 61 Ų | 61 | 49.1 Ų | 49.1 | 29% | 0.285 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -55.6 | -52 | 177.1 | -76.9 | 173.1 | 178.3 | 0 | 0 | 111.1 | Y102 H112 L127 R133 D134 E135 | Y102-E131 HydrophobicContact CE1-CG 3.92Å; H112-E131 IonicContact CG-OE1 3.64Å; H112-E131 IonicContact ND1-OE1 2.69Å; L127-E131 WeakPolarHBondContact O-CB 3.32Å; L127-E131 WeakPolarHBondContact O-CG 3.29Å; L127-E131 PolarHBondContact O-N 2.94Å; E131-R133 VanDerWaalsContact C-N 3.27Å; E131-R133 PolarHBondContact O-N 2.94Å; E131-D134 PolarHBondContact O-N 3.03Å; E131-E135 WeakPolarHBondContact O-CB 3.27Å; E131-E135 WeakPolarHBondContact O-CG 3.49Å; E131-E135 PolarHBondContact O-N 2.7Å |
| 132 | C | 98.1 | Very high | 98.2 | Very high | 8 Ų | 8 | 46.3 Ų | 46.3 | 5% | 0.054 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -60.5 | -37.4 | 178.2 | -175.7 | 0 | 0 | 0 | 0 | 112.4 | E128 I130 F136 L182 L185 | E128-C132 VanDerWaalsContact O-CB 3.3Å; E128-C132 WeakPolarHBondContact O-CB 3.43Å; E128-C132 PolarHBondContact O-N 3.3Å; I130-C132 PolarHBondContact O-N 3.07Å; C132-F136 WeakPolarHBondContact O-CB 3.48Å; C132-F136 PolarHBondContact O-N 3.47Å; C132-L182 HydrophobicContact CB-CD1 3.71Å; C132-L185 HydrophobicContact CB-CD2 3.94Å |
| 133 | R | 98.2 | Very high | 98.1 | Very high | 14 Ų | 14 | 41.3 Ų | 41.3 | 5% | 0.053 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -67.2 | -46.1 | 179.7 | -179.3 | 179 | -164.5 | -34 | -3.8 | 111.4 | Y95 W129 I130 E131 F136 I137 I174 L185 | Y95-R133 WeakPolarHBondContact OH-CD 3.32Å; W129-R133 VanDerWaalsContact CH2-CD 3.44Å; W129-R133 VanDerWaalsContact O-CB 3.26Å; W129-R133 WeakPolarHBondContact O-CB 3.4Å; W129-R133 PolarHBondContact O-N 3.23Å; I130-R133 WeakPolarHBondContact O-CB 3.48Å; I130-R133 PolarHBondContact O-N 3.3Å; I130-R133 VanDerWaalsContact O-N 3.14Å; E131-R133 VanDerWaalsContact C-N 3.27Å; E131-R133 PolarHBondContact O-N 2.94Å; R133-F136 PolarHBondContact O-N 3.31Å; R133-I137 HydrophobicContact CG-CD1 4.47Å; R133-I137 WeakPolarHBondContact O-CG1 3.48Å; R133-I137 PolarHBondContact O-N 2.97Å; R133-I174 PolarHBondContact NH2-O 2.92Å; R133-L185 HydrophobicContact CB-CD2 3.81Å |
| 134 | D | 98 | Very high | 97.9 | Very high | 35 Ų | 35 | 44.7 Ų | 44.7 | 19% | 0.187 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -69.4 | -38.8 | 179.7 | -75.7 | -16.8 | 0 | 0 | 0 | 111.5 | Y95 Y102 I130 E131 F136 I137 M138 | Y95-D134 PolarHBondContact OH-OD1 3.31Å; Y102-D134 WeakPolarHBondContact CE2-OD2 2.95Å; Y102-D134 VanDerWaalsContact CZ-OD2 3.3Å; Y102-D134 WeakPolarHBondContact OH-CB 3.47Å; Y102-D134 PolarHBondContact OH-OD2 3.43Å; I130-D134 PolarHBondContact O-N 3.2Å; E131-D134 PolarHBondContact O-N 3.03Å; D134-F136 VanDerWaalsContact C-N 3.27Å; D134-F136 PolarHBondContact O-N 2.91Å; D134-I137 PolarHBondContact O-N 3.46Å; D134-M138 WeakPolarHBondContact O-CB 3.32Å; D134-M138 WeakPolarHBondContact O-CG 3.46Å; D134-M138 PolarHBondContact O-N 2.88Å |
| 135 | E | 97.9 | Very high | 97.8 | Very high | 105 Ų | 105 | 47.4 Ų | 47.4 | 49% | 0.491 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -57.2 | -41.8 | 170.1 | -74.5 | 177.5 | 177.7 | 0 | 0 | 112 | E131 M138 L139 K189 | E131-E135 WeakPolarHBondContact O-CB 3.27Å; E131-E135 WeakPolarHBondContact O-CG 3.49Å; E131-E135 PolarHBondContact O-N 2.7Å; E135-M138 PolarHBondContact O-N 3.13Å; E135-L139 PolarHBondContact O-N 3.48Å; E135-K189 IonicContact OE2-NZ 2.6Å; E135-K189 PolarHBondContact OE2-NZ 2.69Å |
| 136 | F | 98.3 | Very high | 97.6 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -68 | -42.5 | 178.8 | -169.8 | -169.9 | 0 | 0 | 0 | 111.8 | C132 R133 D134 M138 L139 I140 W173 I174 L185 K188 K189 I192 | C132-F136 WeakPolarHBondContact O-CB 3.48Å; C132-F136 PolarHBondContact O-N 3.47Å; R133-F136 PolarHBondContact O-N 3.31Å; D134-F136 VanDerWaalsContact C-N 3.27Å; D134-F136 PolarHBondContact O-N 2.91Å; F136-M138 PolarHBondContact O-N 3.4Å; F136-L139 HydrophobicContact CD2-CD2 4.29Å; F136-L139 PolarHBondContact O-N 3.06Å; F136-I140 HydrophobicContact CD2-CD1 4.07Å; F136-I140 HydrophobicContact CD2-CG1 4.31Å; F136-I140 HydrophobicContact CE2-CD1 3.82Å; F136-I140 HydrophobicContact CE2-CG1 4.15Å; F136-I140 HydrophobicContact CZ-CD1 4.43Å; F136-I140 WeakPolarHBondContact O-CG1 3.47Å; F136-I140 PolarHBondContact O-N 3.31Å; F136-W173 HydrophobicContact CE1-CE3 4.41Å; F136-I174 HydrophobicContact CB-CD1 4.15Å; F136-I174 HydrophobicContact CD1-CD1 3.43Å; F136-I174 VanDerWaalsContact CD1-CD1 3.43Å; F136-I174 HydrophobicContact CD1-CG1 3.54Å; F136-I174 HydrophobicContact CD2-CD1 4.03Å; F136-I174 HydrophobicContact CE1-CD1 3.69Å; F136-I174 HydrophobicContact CE1-CG1 3.57Å; F136-I174 HydrophobicContact CE2-CD1 4.24Å; F136-I174 HydrophobicContact CG-CD1 3.6Å; F136-I174 HydrophobicContact CG-CG1 4.24Å; F136-I174 HydrophobicContact CZ-CD1 4.08Å; F136-I174 HydrophobicContact CZ-CG1 4.29Å; F136-L185 HydrophobicContact CD1-CD1 3.81Å; F136-K188 HydrophobicContact CE1-CB 4.07Å; F136-K188 HydrophobicContact CE1-CG 3.7Å; F136-K188 HydrophobicContact CZ-CG 3.83Å; F136-K189 HydrophobicContact CB-CB 4.12Å; F136-K189 HydrophobicContact CB-CD 4.09Å; F136-K189 HydrophobicContact CB-CG 3.88Å; F136-K189 HydrophobicContact CD1-CB 3.84Å; F136-K189 HydrophobicContact CD1-CG 4.44Å; F136-K189 HydrophobicContact CD2-CB 3.97Å; F136-K189 HydrophobicContact CD2-CG 3.83Å; F136-K189 HydrophobicContact CE1-CB 4.25Å; F136-K189 HydrophobicContact CE2-CB 4.38Å; F136-K189 HydrophobicContact CG-CB 3.71Å; F136-K189 HydrophobicContact CG-CG 3.8Å; F136-I192 HydrophobicContact CE2-CB 3.76Å; F136-I192 HydrophobicContact CE2-CG1 3.77Å; F136-I192 HydrophobicContact CE2-CG2 4.06Å; F136-I192 HydrophobicContact CZ-CB 4.13Å; F136-I192 HydrophobicContact CZ-CG1 3.65Å |
| 137 | I | 97.9 | Very high | 97.3 | Very high | 36 Ų | 36 | 41.9 Ų | 41.9 | 19% | 0.185 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -57.5 | -42.8 | 170.3 | -66.3 | 163.5 | 0 | 0 | 0 | 110.2 | R133 D134 I140 R141 I174 | R133-I137 HydrophobicContact CG-CD1 4.47Å; R133-I137 WeakPolarHBondContact O-CG1 3.48Å; R133-I137 PolarHBondContact O-N 2.97Å; D134-I137 PolarHBondContact O-N 3.46Å; I137-I140 PolarHBondContact O-N 3.2Å; I137-R141 HydrophobicContact CG2-CG 4.27Å; I137-R141 WeakPolarHBondContact O-CG 3.34Å; I137-R141 PolarHBondContact O-N 3.07Å; I137-I174 HydrophobicContact CG1-CD1 4.3Å; I137-I174 HydrophobicContact CG1-CG2 4.34Å |
| 138 | M | 97.8 | Very high | 97.1 | Very high | 94 Ų | 94 | 45.6 Ų | 45.6 | 46% | 0.463 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -68.1 | -38.9 | -176.3 | -69.5 | -84.4 | 49.9 | 0 | 0 | 113.4 | D134 E135 F136 I140 R141 L142 | D134-M138 WeakPolarHBondContact O-CB 3.32Å; D134-M138 WeakPolarHBondContact O-CG 3.46Å; D134-M138 PolarHBondContact O-N 2.88Å; E135-M138 PolarHBondContact O-N 3.13Å; F136-M138 PolarHBondContact O-N 3.4Å; M138-I140 VanDerWaalsContact C-N 3.32Å; M138-I140 PolarHBondContact O-N 3.35Å; M138-R141 HydrophobicContact CE-CB 3.74Å; M138-R141 HydrophobicContact CE-CG 4.08Å; M138-R141 PolarHBondContact O-N 2.66Å; M138-L142 WeakPolarHBondContact O-CB 3.26Å; M138-L142 PolarHBondContact O-N 3.34Å |
| 139 | L | 98.1 | Very high | 96.8 | Very high | 14 Ų | 14 | 46.9 Ų | 46.9 | 7% | 0.073 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -52.8 | -51.2 | 169.1 | 172.1 | 64.5 | 0 | 0 | 0 | 110.8 | E135 F136 R141 L142 V143 K189 I192 E193 V196 L200 | E135-L139 PolarHBondContact O-N 3.48Å; F136-L139 HydrophobicContact CD2-CD2 4.29Å; F136-L139 PolarHBondContact O-N 3.06Å; L139-R141 PolarHBondContact O-N 3.25Å; L139-L142 PolarHBondContact O-N 3.32Å; L139-V143 HydrophobicContact CD1-CG2 4.36Å; L139-V143 WeakPolarHBondContact O-CG2 3.49Å; L139-V143 PolarHBondContact O-N 3.3Å; L139-K189 HydrophobicContact CD2-CG 4.42Å; L139-I192 HydrophobicContact CD2-CG2 4.45Å; L139-E193 HydrophobicContact CD2-CB 3.8Å; L139-E193 HydrophobicContact CD2-CG 4.23Å; L139-V196 HydrophobicContact CD1-CG2 3.88Å; L139-V196 HydrophobicContact CG-CG2 4.37Å; L139-L200 HydrophobicContact CD1-CD1 3.74Å; L139-L200 HydrophobicContact CD1-CD2 4.44Å |
| 140 | I | 98.2 | Very high | 96.4 | Very high | 4 Ų | 4 | 47.5 Ų | 47.5 | 2% | 0.021 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -63.3 | -45.7 | -178.5 | -64.3 | 165.7 | 0 | 0 | 0 | 111.1 | F136 I137 M138 L142 V143 R144 C167 E171 I174 | F136-I140 HydrophobicContact CD2-CD1 4.07Å; F136-I140 HydrophobicContact CD2-CG1 4.31Å; F136-I140 HydrophobicContact CE2-CD1 3.82Å; F136-I140 HydrophobicContact CE2-CG1 4.15Å; F136-I140 HydrophobicContact CZ-CD1 4.43Å; F136-I140 WeakPolarHBondContact O-CG1 3.47Å; F136-I140 PolarHBondContact O-N 3.31Å; I137-I140 PolarHBondContact O-N 3.2Å; M138-I140 VanDerWaalsContact C-N 3.32Å; M138-I140 PolarHBondContact O-N 3.35Å; I140-L142 VanDerWaalsContact C-N 3.34Å; I140-L142 PolarHBondContact O-N 2.77Å; I140-V143 PolarHBondContact O-N 2.68Å; I140-R144 WeakPolarHBondContact O-CG 3.38Å; I140-R144 PolarHBondContact O-N 3.01Å; I140-C167 HydrophobicContact CG2-CB 3.79Å; I140-E171 HydrophobicContact CD1-CG 4.17Å; I140-E171 HydrophobicContact CG2-CG 3.88Å; I140-E171 VanDerWaalsContact CG2-OE1 3.29Å; I140-E171 WeakPolarHBondContact CG2-OE1 3.44Å; I140-I174 HydrophobicContact CD1-CD1 3.64Å |
| 141 | R | 97.7 | Very high | 95.9 | Very high | 155 Ų | 155 | 51.7 Ų | 51.7 | 59% | 0.585 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -60.4 | -43.1 | 177.1 | -69.6 | -164.3 | -168.6 | 149.5 | -5.9 | 111.9 | I137 M138 L139 V143 R144 E145 | I137-R141 HydrophobicContact CG2-CG 4.27Å; I137-R141 WeakPolarHBondContact O-CG 3.34Å; I137-R141 PolarHBondContact O-N 3.07Å; M138-R141 HydrophobicContact CE-CB 3.74Å; M138-R141 HydrophobicContact CE-CG 4.08Å; M138-R141 PolarHBondContact O-N 2.66Å; L139-R141 PolarHBondContact O-N 3.25Å; R141-V143 VanDerWaalsContact C-N 3.35Å; R141-V143 PolarHBondContact O-N 3Å; R141-R144 PolarHBondContact O-N 2.73Å; R141-E145 WeakPolarHBondContact O-CB 3.36Å; R141-E145 PolarHBondContact O-N 2.9Å |
| 142 | L | 96.9 | Very high | 95.1 | Very high | 78 Ų | 78 | 57.7 Ų | 57.7 | 41% | 0.408 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -61.3 | -43.3 | 178.2 | 176 | 59.7 | 0 | 0 | 0 | 111.6 | M138 L139 I140 E145 I146 L200 | M138-L142 WeakPolarHBondContact O-CB 3.26Å; M138-L142 PolarHBondContact O-N 3.34Å; L139-L142 PolarHBondContact O-N 3.32Å; I140-L142 VanDerWaalsContact C-N 3.34Å; I140-L142 PolarHBondContact O-N 2.77Å; L142-E145 PolarHBondContact O-N 2.74Å; L142-I146 HydrophobicContact CD1-CD1 4.3Å; L142-I146 HydrophobicContact CG-CD1 4.1Å; L142-I146 WeakPolarHBondContact O-CD1 3.39Å; L142-I146 VanDerWaalsContact O-CG1 3.3Å; L142-I146 WeakPolarHBondContact O-CG1 3.06Å; L142-I146 PolarHBondContact O-N 3.47Å; L142-L200 HydrophobicContact CD2-CD2 3.78Å; L142-L200 HydrophobicContact CG-CD2 4.07Å |
| 143 | V | 96.4 | Very high | 94.5 | Very high | 0 Ų | 0 | 64.2 Ų | 64.2 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -64.2 | -44.9 | 176.6 | 175.7 | 0 | 0 | 0 | 0 | 110.9 | L139 I140 R141 E145 I146 L147 A163 C167 V196 L200 | L139-V143 HydrophobicContact CD1-CG2 4.36Å; L139-V143 WeakPolarHBondContact O-CG2 3.49Å; L139-V143 PolarHBondContact O-N 3.3Å; I140-V143 PolarHBondContact O-N 2.68Å; R141-V143 VanDerWaalsContact C-N 3.35Å; R141-V143 PolarHBondContact O-N 3Å; V143-E145 VanDerWaalsContact C-N 3.29Å; V143-E145 PolarHBondContact O-N 3.32Å; V143-I146 WeakPolarHBondContact O-CB 3.41Å; V143-I146 PolarHBondContact O-N 3.14Å; V143-L147 HydrophobicContact CG1-CD1 4.38Å; V143-L147 WeakPolarHBondContact O-CG 3.4Å; V143-L147 PolarHBondContact O-N 3.23Å; V143-A163 HydrophobicContact CG1-CB 4.23Å; V143-C167 VanDerWaalsContact CG1-SG 3.55Å; V143-V196 HydrophobicContact CG1-CB 4.23Å; V143-V196 HydrophobicContact CG1-CG1 4.07Å; V143-V196 HydrophobicContact CG2-CB 3.66Å; V143-V196 HydrophobicContact CG2-CG1 4.1Å; V143-V196 HydrophobicContact CG2-CG2 3.64Å; V143-L200 HydrophobicContact CG2-CD2 3.98Å |
| 144 | R | 95.9 | Very high | 94.1 | Very high | 70 Ų | 70 | 66.6 Ų | 66.6 | 26% | 0.264 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -59.3 | -41.2 | 175.7 | -71.6 | -168.1 | 176.5 | -68 | 2.4 | 112.1 | I140 R141 L147 A148 D164 C167 E171 | I140-R144 WeakPolarHBondContact O-CG 3.38Å; I140-R144 PolarHBondContact O-N 3.01Å; R141-R144 PolarHBondContact O-N 2.73Å; R144-L147 PolarHBondContact O-N 3.48Å; R144-A148 WeakPolarHBondContact O-CB 3.5Å; R144-A148 PolarHBondContact O-N 2.88Å; R144-D164 IonicContact CZ-OD1 3.85Å; R144-D164 IonicContact NH1-OD1 2.84Å; R144-D164 PolarHBondContact NH1-OD1 2.87Å; R144-D164 IonicContact NH2-OD1 3.98Å; R144-C167 HydrophobicContact CG-CB 4.31Å; R144-E171 IonicContact CZ-OE1 3.53Å; R144-E171 IonicContact CZ-OE2 3.59Å; R144-E171 IonicContact NE-OE1 2.98Å; R144-E171 PolarHBondContact NE-OE1 3.19Å; R144-E171 IonicContact NE-OE2 2.63Å; R144-E171 IonicContact NH2-OE1 3.44Å; R144-E171 PolarHBondContact NH2-OE1 3.3Å; R144-E171 IonicContact NH2-OE2 2.76Å; R144-E171 PolarHBondContact NH2-OE2 3.5Å |
| 145 | E | 95.9 | Very high | 93.7 | Very high | 104 Ų | 104 | 65.6 Ų | 65.6 | 49% | 0.486 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -63.6 | -42.5 | 175.6 | -175.1 | 63.8 | -170.4 | 0 | 0 | 112 | R141 L142 V143 L147 A148 T149 | R141-E145 WeakPolarHBondContact O-CB 3.36Å; R141-E145 PolarHBondContact O-N 2.9Å; L142-E145 PolarHBondContact O-N 2.74Å; V143-E145 VanDerWaalsContact C-N 3.29Å; V143-E145 PolarHBondContact O-N 3.32Å; E145-L147 VanDerWaalsContact C-N 3.33Å; E145-L147 PolarHBondContact O-N 3.17Å; E145-A148 PolarHBondContact O-N 3.25Å; E145-T149 HydrophobicContact CG-CG2 4.4Å; E145-T149 WeakPolarHBondContact O-CB 3.27Å; E145-T149 WeakPolarHBondContact O-CG2 3.39Å; E145-T149 PolarHBondContact O-N 3.23Å; E145-T149 PolarHBondContact O-OG1 3.16Å; E145-T149 WeakPolarHBondContact OE1-CG2 3.15Å |
| 146 | I | 94.3 | Very high | 93.5 | Very high | 4 Ų | 4 | 64.5 Ų | 64.5 | 2% | 0.021 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -57.1 | -47 | 173.1 | -72.3 | 159.9 | 0 | 0 | 0 | 110.7 | L142 V143 A148 T149 S150 Y155 F199 L200 K203 | L142-I146 HydrophobicContact CD1-CD1 4.3Å; L142-I146 HydrophobicContact CG-CD1 4.1Å; L142-I146 WeakPolarHBondContact O-CD1 3.39Å; L142-I146 VanDerWaalsContact O-CG1 3.3Å; L142-I146 WeakPolarHBondContact O-CG1 3.06Å; L142-I146 PolarHBondContact O-N 3.47Å; V143-I146 WeakPolarHBondContact O-CB 3.41Å; V143-I146 PolarHBondContact O-N 3.14Å; I146-A148 VanDerWaalsContact C-N 3.33Å; I146-A148 PolarHBondContact O-N 2.75Å; I146-T149 PolarHBondContact O-N 3.17Å; I146-S150 WeakPolarHBondContact O-CB 3.38Å; I146-S150 PolarHBondContact O-N 3Å; I146-S150 PolarHBondContact O-OG 3.17Å; I146-Y155 HydrophobicContact CG2-CE2 3.97Å; I146-Y155 WeakPolarHBondContact CG2-OH 3.15Å; I146-F199 HydrophobicContact CG2-CB 4.37Å; I146-L200 HydrophobicContact CD1-CD2 3.8Å; I146-K203 HydrophobicContact CD1-CB 4.22Å; I146-K203 HydrophobicContact CD1-CD 3.92Å; I146-K203 HydrophobicContact CG1-CB 4.23Å; I146-K203 HydrophobicContact CG1-CD 3.38Å; I146-K203 HydrophobicContact CG1-CG 4.42Å |
| 147 | L | 92.4 | Very high | 93.3 | Very high | 23 Ų | 23 | 73.7 Ų | 73.7 | 12% | 0.12 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -66.7 | -35.6 | -179.8 | -64.5 | 177.6 | 0 | 0 | 0 | 112.3 | V143 R144 E145 S150 Y155 R160 A163 F199 | V143-L147 HydrophobicContact CG1-CD1 4.38Å; V143-L147 WeakPolarHBondContact O-CG 3.4Å; V143-L147 PolarHBondContact O-N 3.23Å; R144-L147 PolarHBondContact O-N 3.48Å; E145-L147 VanDerWaalsContact C-N 3.33Å; E145-L147 PolarHBondContact O-N 3.17Å; L147-S150 PolarHBondContact O-OG 2.92Å; L147-S150 VanDerWaalsContact O-OG 3.13Å; L147-Y155 HydrophobicContact CD2-CD2 4.48Å; L147-R160 HydrophobicContact CD2-CG 4.28Å; L147-R160 PolarHBondContact O-NH1 3.24Å; L147-A163 HydrophobicContact CD1-CB 3.75Å; L147-A163 HydrophobicContact CD2-CB 4.14Å; L147-A163 HydrophobicContact CG-CB 4.41Å; L147-F199 HydrophobicContact CD2-CD1 3.93Å; L147-F199 HydrophobicContact CD2-CE1 4.06Å |
| 148 | A | 93.2 | Very high | 93.1 | Very high | 79 Ų | 79 | 77.2 Ų | 77.2 | 65% | 0.653 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -73.1 | -33.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | R144 E145 I146 | R144-A148 WeakPolarHBondContact O-CB 3.5Å; R144-A148 PolarHBondContact O-N 2.88Å; E145-A148 PolarHBondContact O-N 3.25Å; I146-A148 VanDerWaalsContact C-N 3.33Å; I146-A148 PolarHBondContact O-N 2.75Å |
| 149 | T | 93.1 | Very high | 93 | Very high | 90 Ų | 90 | 76.5 Ų | 76.5 | 55% | 0.552 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -96.5 | -12 | -174.9 | 55 | 0 | 0 | 0 | 0 | 114.3 | E145 I146 | E145-T149 HydrophobicContact CG-CG2 4.4Å; E145-T149 WeakPolarHBondContact O-CB 3.27Å; E145-T149 WeakPolarHBondContact O-CG2 3.39Å; E145-T149 PolarHBondContact O-N 3.23Å; E145-T149 PolarHBondContact O-OG1 3.16Å; E145-T149 WeakPolarHBondContact OE1-CG2 3.15Å; I146-T149 PolarHBondContact O-N 3.17Å |
| 150 | S | 89.6 | Confident | 92.8 | Very high | 23 Ų | 23 | 78.7 Ų | 78.7 | 16% | 0.161 | 39% | 0.39 | C | S | . | . | S | Bend | trans | -75.9 | 148 | 179.9 | 46.5 | 0 | 0 | 0 | 0 | 113.6 | I146 L147 R160 | I146-S150 WeakPolarHBondContact O-CB 3.38Å; I146-S150 PolarHBondContact O-N 3Å; I146-S150 PolarHBondContact O-OG 3.17Å; L147-S150 PolarHBondContact O-OG 2.92Å; L147-S150 VanDerWaalsContact O-OG 3.13Å; S150-R160 PolarHBondContact O-NH2 3.15Å; S150-R160 PolarHBondContact OG-NH1 3.23Å; S150-R160 PolarHBondContact OG-NH2 2.89Å |
| 151 | D | 88.3 | Confident | 92.7 | Very high | 89 Ų | 89 | 85.1 Ų | 85.1 | 48% | 0.476 | 42% | 0.417 | S | S | . | . | trans | -64.7 | 153.5 | 172.6 | -170.6 | -83.7 | 0 | 0 | 0 | 110.5 | N153 D154 R160 | D151-N153 PolarHBondContact O-N 3.48Å; D151-N153 VanDerWaalsContact O-N 3.08Å; D151-N153 WeakPolarHBondContact OD1-CB 3.34Å; D151-N153 PolarHBondContact OD1-N 3.3Å; D151-N153 PolarHBondContact OD1-ND2 2.88Å; D151-D154 PolarHBondContact N-OD2 3.38Å; D151-D154 WeakPolarHBondContact O-CB 3.5Å; D151-D154 PolarHBondContact O-N 2.96Å; D151-R160 PolarHBondContact O-NH2 3.02Å | ||
| 152 | K | 81.3 | Confident | 92.7 | Very high | 186 Ų | 186 | 81.3 Ų | 81.3 | 81% | 0.809 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | -24.3 | 177.6 | -69.4 | -178.2 | -179.1 | 175.1 | 0 | 112.8 | ||
| 153 | N | 85.3 | Confident | 92.6 | Very high | 146 Ų | 146 | 77.6 Ų | 77.6 | 78% | 0.781 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90 | -10.9 | 179.5 | -56.7 | -58.4 | 0 | 0 | 0 | 113.6 | D151 Y155 | D151-N153 PolarHBondContact O-N 3.48Å; D151-N153 VanDerWaalsContact O-N 3.08Å; D151-N153 WeakPolarHBondContact OD1-CB 3.34Å; D151-N153 PolarHBondContact OD1-N 3.3Å; D151-N153 PolarHBondContact OD1-ND2 2.88Å; N153-Y155 VanDerWaalsContact C-N 3.29Å; N153-Y155 PolarHBondContact O-N 2.96Å |
| 154 | D | 89.1 | Confident | 92.6 | Very high | 63 Ų | 63 | 80.7 Ų | 80.7 | 34% | 0.337 | 41% | 0.405 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.5 | -30.7 | -179.2 | -75 | -33.2 | 0 | 0 | 0 | 112.6 | D151 K202 | D151-D154 PolarHBondContact N-OD2 3.38Å; D151-D154 WeakPolarHBondContact O-CB 3.5Å; D151-D154 PolarHBondContact O-N 2.96Å; D154-K202 PolarHBondContact O-NZ 3.28Å |
| 155 | Y | 91.1 | Very high | 92.8 | Very high | 15 Ų | 15 | 81 Ų | 81 | 6% | 0.059 | 42% | 0.418 | C | S | . | . | S | Bend | trans | -141.6 | 132.8 | -177.2 | -55 | -71.6 | 0 | 0 | 0 | 109.6 | I146 L147 N153 E159 R160 F199 K202 | I146-Y155 HydrophobicContact CG2-CE2 3.97Å; I146-Y155 WeakPolarHBondContact CG2-OH 3.15Å; L147-Y155 HydrophobicContact CD2-CD2 4.48Å; N153-Y155 VanDerWaalsContact C-N 3.29Å; N153-Y155 PolarHBondContact O-N 2.96Å; Y155-E159 WeakPolarHBondContact CA-OE2 3.46Å; Y155-R160 PolarHBondContact O-NE 3.39Å; Y155-F199 AromaticContact CD1-CD1 3.7Å; Y155-F199 HydrophobicContact CD1-CD1 3.7Å; Y155-F199 AromaticContact CD1-CE1 3.65Å; Y155-F199 HydrophobicContact CD1-CE1 3.65Å; Y155-F199 AromaticContact CE1-CD1 3.47Å; Y155-F199 HydrophobicContact CE1-CD1 3.47Å; Y155-F199 VanDerWaalsContact CE1-CD1 3.47Å; Y155-F199 AromaticContact CE1-CE1 3.93Å; Y155-F199 HydrophobicContact CE1-CE1 3.93Å; Y155-F199 HydrophobicContact CE1-CG 4.31Å; Y155-F199 HydrophobicContact CE2-CD1 4.35Å; Y155-F199 HydrophobicContact CG-CD1 4.23Å; Y155-F199 HydrophobicContact CG-CE1 4.09Å; Y155-F199 AromaticContact CZ-CD1 3.84Å; Y155-K202 HydrophobicContact CE1-CD 3.84Å |
| 156 | T | 93.5 | Very high | 92.9 | Very high | 82 Ų | 82 | 76.3 Ų | 76.3 | 50% | 0.503 | 40% | 0.397 | S | S | . | . | trans | -58.5 | 159.2 | 169.9 | 65 | 0 | 0 | 0 | 0 | 110.7 | E158 E159 R160 | T156-E158 PolarHBondContact O-N 3.42Å; T156-E159 WeakPolarHBondContact CB-OE2 3.3Å; T156-E159 WeakPolarHBondContact CG2-OE2 3.4Å; T156-E159 PolarHBondContact N-OE2 3.11Å; T156-E159 PolarHBondContact O-N 3.23Å; T156-E159 WeakPolarHBondContact OG1-CB 3.25Å; T156-E159 VanDerWaalsContact OG1-CG 3.25Å; T156-E159 WeakPolarHBondContact OG1-CG 3.39Å; T156-E159 PolarHBondContact OG1-N 3.35Å; T156-E159 VanDerWaalsContact OG1-N 3.15Å; T156-E159 PolarHBondContact OG1-OE2 3.42Å; T156-R160 WeakPolarHBondContact O-CG 3.17Å; T156-R160 PolarHBondContact O-N 3.33Å | ||
| 157 | K | 92.9 | Very high | 93.1 | Very high | 193 Ų | 193 | 76.1 Ų | 76.1 | 84% | 0.839 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -57.1 | -35.2 | 174.8 | -68.6 | -176.8 | 179.6 | 178.6 | 0 | 112.2 | K161 | K157-K161 WeakPolarHBondContact O-CB 2.96Å; K157-K161 PolarHBondContact O-N 3.1Å; K157-K161 VanDerWaalsContact O-N 3.09Å |
| 158 | E | 94.8 | Very high | 93.3 | Very high | 110 Ų | 110 | 79.2 Ų | 79.2 | 51% | 0.514 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -71.7 | -44.4 | -179.9 | -167 | 57.5 | -149.6 | 0 | 0 | 111.5 | T156 R160 K161 I162 | T156-E158 PolarHBondContact O-N 3.42Å; E158-R160 VanDerWaalsContact C-N 3.34Å; E158-R160 PolarHBondContact O-N 2.92Å; E158-K161 WeakPolarHBondContact O-CB 2.99Å; E158-K161 PolarHBondContact O-N 3.38Å; E158-K161 VanDerWaalsContact O-N 3.16Å; E158-I162 HydrophobicContact CG-CD1 4.19Å; E158-I162 WeakPolarHBondContact O-CG1 3.42Å; E158-I162 PolarHBondContact O-N 2.84Å |
| 159 | E | 95 | Very high | 93.6 | Very high | 79 Ų | 79 | 78.5 Ų | 78.5 | 37% | 0.369 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -57.5 | -47.2 | 173.9 | -75.1 | 165.3 | 135.7 | 0 | 0 | 111.4 | Y155 T156 K161 I162 A163 F199 | Y155-E159 WeakPolarHBondContact CA-OE2 3.46Å; T156-E159 WeakPolarHBondContact CB-OE2 3.3Å; T156-E159 WeakPolarHBondContact CG2-OE2 3.4Å; T156-E159 PolarHBondContact N-OE2 3.11Å; T156-E159 PolarHBondContact O-N 3.23Å; T156-E159 WeakPolarHBondContact OG1-CB 3.25Å; T156-E159 VanDerWaalsContact OG1-CG 3.25Å; T156-E159 WeakPolarHBondContact OG1-CG 3.39Å; T156-E159 PolarHBondContact OG1-N 3.35Å; T156-E159 VanDerWaalsContact OG1-N 3.15Å; T156-E159 PolarHBondContact OG1-OE2 3.42Å; E159-K161 VanDerWaalsContact C-N 3.29Å; E159-K161 PolarHBondContact O-N 3.18Å; E159-I162 PolarHBondContact O-N 3.24Å; E159-A163 PolarHBondContact O-N 3.21Å; E159-F199 HydrophobicContact CB-CE1 4.01Å; E159-F199 HydrophobicContact CB-CZ 3.85Å; E159-F199 WeakPolarHBondContact O-CZ 3.36Å |
| 160 | R | 94.3 | Very high | 93.8 | Very high | 60 Ų | 60 | 74.2 Ų | 74.2 | 23% | 0.226 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -59.1 | -41 | 177.4 | -69.2 | -179.3 | 173.3 | -85.1 | 0.9 | 112 | L147 S150 D151 Y155 T156 E158 D164 | L147-R160 HydrophobicContact CD2-CG 4.28Å; L147-R160 PolarHBondContact O-NH1 3.24Å; S150-R160 PolarHBondContact O-NH2 3.15Å; S150-R160 PolarHBondContact OG-NH1 3.23Å; S150-R160 PolarHBondContact OG-NH2 2.89Å; D151-R160 PolarHBondContact O-NH2 3.02Å; Y155-R160 PolarHBondContact O-NE 3.39Å; T156-R160 WeakPolarHBondContact O-CG 3.17Å; T156-R160 PolarHBondContact O-N 3.33Å; E158-R160 VanDerWaalsContact C-N 3.34Å; E158-R160 PolarHBondContact O-N 2.92Å; R160-D164 WeakPolarHBondContact O-CB 3.44Å; R160-D164 PolarHBondContact O-N 3.24Å |
| 161 | K | 96 | Very high | 94.2 | Very high | 138 Ų | 138 | 76 Ų | 76 | 60% | 0.6 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -66.9 | -41.2 | 178.4 | -174.8 | -174.7 | 173.8 | -165.4 | 0 | 112.2 | K157 E158 E159 S165 | K157-K161 WeakPolarHBondContact O-CB 2.96Å; K157-K161 PolarHBondContact O-N 3.1Å; K157-K161 VanDerWaalsContact O-N 3.09Å; E158-K161 WeakPolarHBondContact O-CB 2.99Å; E158-K161 PolarHBondContact O-N 3.38Å; E158-K161 VanDerWaalsContact O-N 3.16Å; E159-K161 VanDerWaalsContact C-N 3.29Å; E159-K161 PolarHBondContact O-N 3.18Å; K161-S165 VanDerWaalsContact O-CB 3.3Å; K161-S165 WeakPolarHBondContact O-CB 3.19Å; K161-S165 PolarHBondContact O-N 3.48Å |
| 162 | I | 96.8 | Very high | 94.7 | Very high | 76 Ų | 76 | 74 Ų | 74 | 39% | 0.39 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -60.3 | -49.4 | 176 | -71.1 | 165.1 | 0 | 0 | 0 | 110.2 | E158 E159 S165 A166 I195 | E158-I162 HydrophobicContact CG-CD1 4.19Å; E158-I162 WeakPolarHBondContact O-CG1 3.42Å; E158-I162 PolarHBondContact O-N 2.84Å; E159-I162 PolarHBondContact O-N 3.24Å; I162-S165 PolarHBondContact O-N 2.9Å; I162-A166 WeakPolarHBondContact O-CB 3.14Å; I162-A166 PolarHBondContact O-N 3.09Å; I162-I195 HydrophobicContact CG2-CG2 3.66Å |
| 163 | A | 96.4 | Very high | 95.5 | Very high | 0 Ų | 0 | 67.2 Ų | 67.2 | 0% | 0 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -63.7 | -45.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | V143 L147 E159 S165 A166 C167 F199 | V143-A163 HydrophobicContact CG1-CB 4.23Å; L147-A163 HydrophobicContact CD1-CB 3.75Å; L147-A163 HydrophobicContact CD2-CB 4.14Å; L147-A163 HydrophobicContact CG-CB 4.41Å; E159-A163 PolarHBondContact O-N 3.21Å; A163-S165 PolarHBondContact O-N 3.42Å; A163-A166 PolarHBondContact O-N 3.31Å; A163-C167 PolarHBondContact O-N 2.83Å; A163-C167 PolarHBondContact O-SG 3.29Å; A163-C167 VanDerWaalsContact O-SG 3.32Å; A163-F199 HydrophobicContact CB-CD1 4.22Å; A163-F199 HydrophobicContact CB-CD2 4.14Å; A163-F199 HydrophobicContact CB-CE1 3.85Å; A163-F199 HydrophobicContact CB-CE2 3.78Å; A163-F199 HydrophobicContact CB-CG 4.37Å; A163-F199 HydrophobicContact CB-CZ 3.64Å |
| 164 | D | 96.6 | Very high | 96.1 | Very high | 65 Ų | 65 | 60.6 Ų | 60.6 | 35% | 0.348 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -62.8 | -41.7 | 177.9 | -174.7 | 59 | 0 | 0 | 0 | 111.9 | R144 R160 A166 C167 L168 | R144-D164 IonicContact CZ-OD1 3.85Å; R144-D164 IonicContact NH1-OD1 2.84Å; R144-D164 PolarHBondContact NH1-OD1 2.87Å; R144-D164 IonicContact NH2-OD1 3.98Å; R160-D164 WeakPolarHBondContact O-CB 3.44Å; R160-D164 PolarHBondContact O-N 3.24Å; D164-A166 VanDerWaalsContact C-N 3.32Å; D164-A166 PolarHBondContact O-N 3.41Å; D164-C167 PolarHBondContact O-N 3.23Å; D164-L168 WeakPolarHBondContact O-CB 3.45Å; D164-L168 VanDerWaalsContact O-CG 3.31Å; D164-L168 WeakPolarHBondContact O-CG 3.28Å; D164-L168 PolarHBondContact O-N 3.36Å |
| 165 | S | 98.1 | Very high | 96.4 | Very high | 75 Ų | 75 | 62.5 Ų | 62.5 | 52% | 0.524 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -61.6 | -39.9 | 175 | -172.1 | 0 | 0 | 0 | 0 | 112.2 | K161 I162 A163 D169 | K161-S165 VanDerWaalsContact O-CB 3.3Å; K161-S165 WeakPolarHBondContact O-CB 3.19Å; K161-S165 PolarHBondContact O-N 3.48Å; I162-S165 PolarHBondContact O-N 2.9Å; A163-S165 PolarHBondContact O-N 3.42Å; S165-D169 WeakPolarHBondContact O-CB 3.3Å; S165-D169 PolarHBondContact O-N 3.29Å |
| 166 | A | 98.3 | Very high | 96.7 | Very high | 6 Ų | 6 | 69.4 Ų | 69.4 | 5% | 0.05 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -67.1 | -42.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | I162 A163 D164 D169 G170 I192 I195 V196 | I162-A166 WeakPolarHBondContact O-CB 3.14Å; I162-A166 PolarHBondContact O-N 3.09Å; A163-A166 PolarHBondContact O-N 3.31Å; D164-A166 VanDerWaalsContact C-N 3.32Å; D164-A166 PolarHBondContact O-N 3.41Å; A166-D169 PolarHBondContact O-N 2.51Å; A166-G170 PolarHBondContact O-N 3.03Å; A166-I192 HydrophobicContact CB-CD1 4.39Å; A166-I192 HydrophobicContact CB-CG2 4.46Å; A166-I192 WeakPolarHBondContact O-CD1 2.96Å; A166-I195 HydrophobicContact CB-CB 4.2Å; A166-I195 HydrophobicContact CB-CD1 4.39Å; A166-I195 HydrophobicContact CB-CG2 3.71Å; A166-V196 HydrophobicContact CB-CG1 4.01Å |
| 167 | C | 98.2 | Very high | 96.8 | Very high | 0 Ų | 0 | 68.1 Ų | 68.1 | 0% | 0 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -60.1 | -45.6 | 174.5 | -70.3 | 0 | 0 | 0 | 0 | 111.9 | I140 V143 R144 A163 D164 G170 E171 | I140-C167 HydrophobicContact CG2-CB 3.79Å; V143-C167 VanDerWaalsContact CG1-SG 3.55Å; R144-C167 HydrophobicContact CG-CB 4.31Å; A163-C167 PolarHBondContact O-N 2.83Å; A163-C167 PolarHBondContact O-SG 3.29Å; A163-C167 VanDerWaalsContact O-SG 3.32Å; D164-C167 PolarHBondContact O-N 3.23Å; C167-G170 PolarHBondContact O-N 3Å; C167-E171 WeakPolarHBondContact O-CB 3.46Å; C167-E171 WeakPolarHBondContact O-CG 3.46Å; C167-E171 PolarHBondContact O-N 2.85Å |
| 168 | L | 98.2 | Very high | 96.9 | Very high | 89 Ų | 89 | 63.7 Ų | 63.7 | 47% | 0.466 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -63.8 | -42.6 | 177.9 | -73.6 | 170.9 | 0 | 0 | 0 | 112.4 | D164 S172 | D164-L168 WeakPolarHBondContact O-CB 3.45Å; D164-L168 VanDerWaalsContact O-CG 3.31Å; D164-L168 WeakPolarHBondContact O-CG 3.28Å; D164-L168 PolarHBondContact O-N 3.36Å; L168-S172 VanDerWaalsContact O-CB 3.23Å; L168-S172 WeakPolarHBondContact O-CB 3.34Å; L168-S172 PolarHBondContact O-N 3.14Å |
| 169 | D | 98.4 | Very high | 96.8 | Very high | 64 Ų | 64 | 65.4 Ų | 65.4 | 34% | 0.342 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -62.4 | -47.5 | 175.5 | 174.4 | 36.7 | 0 | 0 | 0 | 111.1 | S165 A166 S172 W173 K188 I192 | S165-D169 WeakPolarHBondContact O-CB 3.3Å; S165-D169 PolarHBondContact O-N 3.29Å; A166-D169 PolarHBondContact O-N 2.51Å; D169-S172 PolarHBondContact O-N 3.33Å; D169-W173 VanDerWaalsContact O-CB 3.27Å; D169-W173 WeakPolarHBondContact O-CB 3.46Å; D169-W173 PolarHBondContact O-N 2.73Å; D169-K188 IonicContact OD1-NZ 3.16Å; D169-K188 PolarHBondContact OD1-NZ 3.27Å; D169-K188 IonicContact OD2-NZ 3.51Å; D169-K188 PolarHBondContact OD2-NZ 3.43Å; D169-I192 HydrophobicContact CB-CD1 4.48Å |
| 170 | G | 98.4 | Very high | 96.8 | Very high | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -56.8 | -51.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | A166 C167 W173 I174 | A166-G170 PolarHBondContact O-N 3.03Å; C167-G170 PolarHBondContact O-N 3Å; G170-W173 PolarHBondContact O-N 3.07Å; G170-I174 WeakPolarHBondContact O-CB 3.39Å; G170-I174 WeakPolarHBondContact O-CG1 3.33Å; G170-I174 PolarHBondContact O-N 3.44Å |
| 171 | E | 97.7 | Very high | 97 | Very high | 61 Ų | 61 | 63 Ų | 63 | 29% | 0.285 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -60.3 | -48.5 | 178.5 | -79.8 | 164.8 | 178.9 | 0 | 0 | 112.2 | I140 R144 C167 W173 I174 N175 | I140-E171 HydrophobicContact CD1-CG 4.17Å; I140-E171 HydrophobicContact CG2-CG 3.88Å; I140-E171 VanDerWaalsContact CG2-OE1 3.29Å; I140-E171 WeakPolarHBondContact CG2-OE1 3.44Å; R144-E171 IonicContact CZ-OE1 3.53Å; R144-E171 IonicContact CZ-OE2 3.59Å; R144-E171 IonicContact NE-OE1 2.98Å; R144-E171 PolarHBondContact NE-OE1 3.19Å; R144-E171 IonicContact NE-OE2 2.63Å; R144-E171 IonicContact NH2-OE1 3.44Å; R144-E171 PolarHBondContact NH2-OE1 3.3Å; R144-E171 IonicContact NH2-OE2 2.76Å; R144-E171 PolarHBondContact NH2-OE2 3.5Å; C167-E171 WeakPolarHBondContact O-CB 3.46Å; C167-E171 WeakPolarHBondContact O-CG 3.46Å; C167-E171 PolarHBondContact O-N 2.85Å; E171-W173 VanDerWaalsContact C-N 3.29Å; E171-W173 PolarHBondContact O-N 2.76Å; E171-I174 PolarHBondContact O-N 3.18Å; E171-N175 WeakPolarHBondContact O-CB 3.32Å; E171-N175 VanDerWaalsContact O-CG 3.29Å; E171-N175 PolarHBondContact O-N 2.75Å; E171-N175 PolarHBondContact O-ND2 2.91Å; E171-N175 VanDerWaalsContact O-ND2 3.14Å |
| 172 | S | 98.1 | Very high | 97 | Very high | 45 Ų | 45 | 58.1 Ų | 58.1 | 32% | 0.315 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -58.8 | -43.9 | 177.2 | 163.6 | 0 | 0 | 0 | 0 | 110.8 | L168 D169 K176 | L168-S172 VanDerWaalsContact O-CB 3.23Å; L168-S172 WeakPolarHBondContact O-CB 3.34Å; L168-S172 PolarHBondContact O-N 3.14Å; D169-S172 PolarHBondContact O-N 3.33Å; S172-K176 WeakPolarHBondContact O-CB 3.1Å; S172-K176 VanDerWaalsContact O-CG 3.31Å; S172-K176 WeakPolarHBondContact O-CG 3.39Å; S172-K176 PolarHBondContact O-N 3.33Å; S172-K176 PolarHBondContact OG-NZ 3.02Å |
| 173 | W | 98.4 | Very high | 97.1 | Very high | 44 Ų | 44 | 58.3 Ų | 58.3 | 17% | 0.167 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -65.5 | -48.9 | 180 | -169.1 | 99.7 | 0 | 0 | 0 | 111.8 | F136 D169 G170 E171 N175 K176 N177 A180 M184 L185 K188 | F136-W173 HydrophobicContact CE1-CE3 4.41Å; D169-W173 VanDerWaalsContact O-CB 3.27Å; D169-W173 WeakPolarHBondContact O-CB 3.46Å; D169-W173 PolarHBondContact O-N 2.73Å; G170-W173 PolarHBondContact O-N 3.07Å; E171-W173 VanDerWaalsContact C-N 3.29Å; E171-W173 PolarHBondContact O-N 2.76Å; W173-N175 VanDerWaalsContact C-N 3.26Å; W173-N175 PolarHBondContact O-N 3.17Å; W173-K176 PolarHBondContact O-N 3.26Å; W173-N177 HydrophobicContact CD2-CB 4.21Å; W173-N177 HydrophobicContact CE3-CB 4.21Å; W173-N177 HydrophobicContact CH2-CB 4.15Å; W173-N177 HydrophobicContact CZ2-CB 4.17Å; W173-N177 HydrophobicContact CZ3-CB 4.16Å; W173-N177 WeakPolarHBondContact O-CB 3.38Å; W173-N177 PolarHBondContact O-N 2.94Å; W173-N177 PolarHBondContact O-ND2 2.95Å; W173-A180 HydrophobicContact CH2-CB 3.52Å; W173-A180 HydrophobicContact CZ2-CB 4.17Å; W173-A180 HydrophobicContact CZ3-CB 4.24Å; W173-M184 HydrophobicContact CH2-CB 4.2Å; W173-M184 HydrophobicContact CZ2-CB 4.19Å; W173-L185 HydrophobicContact CH2-CB 4.37Å; W173-L185 HydrophobicContact CH2-CD1 4.45Å; W173-L185 HydrophobicContact CZ3-CB 4.44Å; W173-L185 HydrophobicContact CZ3-CD1 3.7Å; W173-K188 HydrophobicContact CB-CD 4.47Å; W173-K188 HydrophobicContact CB-CG 4.26Å; W173-K188 HydrophobicContact CD2-CB 4.01Å; W173-K188 HydrophobicContact CD2-CD 4.24Å; W173-K188 HydrophobicContact CD2-CG 3.55Å; W173-K188 HydrophobicContact CE3-CB 4.07Å; W173-K188 HydrophobicContact CE3-CG 3.81Å; W173-K188 HydrophobicContact CG-CD 3.99Å; W173-K188 HydrophobicContact CG-CG 3.74Å; W173-K188 HydrophobicContact CH2-CB 4.14Å; W173-K188 HydrophobicContact CZ2-CB 4.04Å; W173-K188 HydrophobicContact CZ2-CG 4.47Å; W173-K188 HydrophobicContact CZ3-CB 4.16Å; W173-K188 HydrophobicContact CZ3-CG 4.4Å |
| 174 | I | 97.4 | Very high | 97.2 | Very high | 7 Ų | 7 | 62.7 Ų | 62.7 | 4% | 0.036 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -57.5 | -39.7 | 179 | -74 | 170.6 | 0 | 0 | 0 | 111.4 | R133 F136 I137 I140 G170 E171 | R133-I174 PolarHBondContact NH2-O 2.92Å; F136-I174 HydrophobicContact CB-CD1 4.15Å; F136-I174 HydrophobicContact CD1-CD1 3.43Å; F136-I174 VanDerWaalsContact CD1-CD1 3.43Å; F136-I174 HydrophobicContact CD1-CG1 3.54Å; F136-I174 HydrophobicContact CD2-CD1 4.03Å; F136-I174 HydrophobicContact CE1-CD1 3.69Å; F136-I174 HydrophobicContact CE1-CG1 3.57Å; F136-I174 HydrophobicContact CE2-CD1 4.24Å; F136-I174 HydrophobicContact CG-CD1 3.6Å; F136-I174 HydrophobicContact CG-CG1 4.24Å; F136-I174 HydrophobicContact CZ-CD1 4.08Å; F136-I174 HydrophobicContact CZ-CG1 4.29Å; I137-I174 HydrophobicContact CG1-CD1 4.3Å; I137-I174 HydrophobicContact CG1-CG2 4.34Å; I140-I174 HydrophobicContact CD1-CD1 3.64Å; G170-I174 WeakPolarHBondContact O-CB 3.39Å; G170-I174 WeakPolarHBondContact O-CG1 3.33Å; G170-I174 PolarHBondContact O-N 3.44Å; E171-I174 PolarHBondContact O-N 3.18Å |
| 175 | N | 95.5 | Very high | 97.2 | Very high | 103 Ų | 103 | 59.8 Ų | 59.8 | 55% | 0.551 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -75.5 | -36.1 | -178.7 | -72.9 | -29.7 | 0 | 0 | 0 | 113.2 | E171 W173 | E171-N175 WeakPolarHBondContact O-CB 3.32Å; E171-N175 VanDerWaalsContact O-CG 3.29Å; E171-N175 PolarHBondContact O-N 2.75Å; E171-N175 PolarHBondContact O-ND2 2.91Å; E171-N175 VanDerWaalsContact O-ND2 3.14Å; W173-N175 VanDerWaalsContact C-N 3.26Å; W173-N175 PolarHBondContact O-N 3.17Å |
| 176 | K | 96.9 | Very high | 97.3 | Very high | 161 Ų | 161 | 60.7 Ų | 60.7 | 70% | 0.7 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -78.7 | -27.7 | 179.2 | -72.8 | 171 | 179.4 | 161.2 | 0 | 113.1 | S172 W173 | S172-K176 WeakPolarHBondContact O-CB 3.1Å; S172-K176 VanDerWaalsContact O-CG 3.31Å; S172-K176 WeakPolarHBondContact O-CG 3.39Å; S172-K176 PolarHBondContact O-N 3.33Å; S172-K176 PolarHBondContact OG-NZ 3.02Å; W173-K176 PolarHBondContact O-N 3.26Å |
| 177 | N | 96.7 | Very high | 97.3 | Very high | 54 Ų | 54 | 64.3 Ų | 64.3 | 29% | 0.289 | 33% | 0.332 | S | S | . | . | trans | -112 | 51.5 | -171.4 | -60.8 | -85.4 | 0 | 0 | 0 | 112.5 | W173 E179 A180 | W173-N177 HydrophobicContact CD2-CB 4.21Å; W173-N177 HydrophobicContact CE3-CB 4.21Å; W173-N177 HydrophobicContact CH2-CB 4.15Å; W173-N177 HydrophobicContact CZ2-CB 4.17Å; W173-N177 HydrophobicContact CZ3-CB 4.16Å; W173-N177 WeakPolarHBondContact O-CB 3.38Å; W173-N177 PolarHBondContact O-N 2.94Å; W173-N177 PolarHBondContact O-ND2 2.95Å; N177-E179 PolarHBondContact O-N 3.45Å; N177-E179 VanDerWaalsContact O-N 3.15Å; N177-A180 HydrophobicContact CB-CB 3.91Å; N177-A180 WeakPolarHBondContact O-CB 3.3Å; N177-A180 PolarHBondContact O-N 3.11Å; N177-A180 VanDerWaalsContact O-N 3.07Å | ||
| 178 | K | 94.1 | Very high | 97.3 | Very high | 100 Ų | 100 | 65.1 Ų | 65.1 | 44% | 0.435 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -21.9 | 176.2 | -63.5 | -175.6 | -178.2 | -177.3 | 0 | 113.4 | K92 F96 W129 | K92-K178 VanDerWaalsContact CE-O 3.26Å; K92-K178 WeakPolarHBondContact CE-O 3.4Å; K92-K178 PolarHBondContact NZ-O 3.16Å; F96-K178 HydrophobicContact CE1-CD 4.1Å; F96-K178 HydrophobicContact CE1-CG 4.33Å; F96-K178 HydrophobicContact CZ-CB 3.98Å; F96-K178 HydrophobicContact CZ-CD 4.03Å; F96-K178 HydrophobicContact CZ-CG 4.01Å; W129-K178 VanDerWaalsContact CH2-O 3.32Å; W129-K178 WeakPolarHBondContact CH2-O 3.25Å; W129-K178 WeakPolarHBondContact CZ2-O 3.47Å |
| 179 | E | 93.2 | Very high | 97.3 | Very high | 146 Ų | 146 | 62.6 Ų | 62.6 | 68% | 0.682 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103 | 10 | 178.2 | -56 | -49.5 | 121.5 | 0 | 0 | 113.6 | K92 N177 | K92-E179 IonicContact NZ-OE1 2.96Å; K92-E179 PolarHBondContact NZ-OE1 3.1Å; K92-E179 VanDerWaalsContact NZ-OE1 3.12Å; K92-E179 IonicContact NZ-OE2 2.72Å; K92-E179 PolarHBondContact NZ-OE2 2.82Å; N177-E179 PolarHBondContact O-N 3.45Å; N177-E179 VanDerWaalsContact O-N 3.15Å |
| 180 | A | 95.9 | Very high | 97.3 | Very high | 9 Ų | 9 | 64.7 Ų | 64.7 | 7% | 0.074 | 33% | 0.328 | C | S | . | . | trans | -58.9 | 147.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | W129 W173 N177 M184 | W129-A180 PolarHBondContact NE1-O 2.91Å; W173-A180 HydrophobicContact CH2-CB 3.52Å; W173-A180 HydrophobicContact CZ2-CB 4.17Å; W173-A180 HydrophobicContact CZ3-CB 4.24Å; N177-A180 HydrophobicContact CB-CB 3.91Å; N177-A180 WeakPolarHBondContact O-CB 3.3Å; N177-A180 PolarHBondContact O-N 3.11Å; N177-A180 VanDerWaalsContact O-N 3.07Å; A180-M184 HydrophobicContact CB-CB 4.14Å | ||
| 181 | T | 96.9 | Very high | 97.3 | Very high | 80 Ų | 80 | 69.3 Ų | 69.3 | 49% | 0.491 | 35% | 0.35 | S | S | . | . | trans | -68.2 | 159.8 | 170.9 | 67.6 | 0 | 0 | 0 | 0 | 111 | S183 M184 L185 | T181-S183 PolarHBondContact O-N 3.43Å; T181-M184 HydrophobicContact CG2-SD 4.42Å; T181-M184 PolarHBondContact O-N 3.37Å; T181-M184 WeakPolarHBondContact OG1-CG 3.33Å; T181-M184 PolarHBondContact OG1-N 2.95Å; T181-L185 PolarHBondContact O-N 2.89Å | ||
| 182 | L | 97.7 | Very high | 97.3 | Very high | 35 Ų | 35 | 66.4 Ų | 66.4 | 18% | 0.183 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -55.4 | -38.4 | 174.5 | 176.7 | 61 | 0 | 0 | 0 | 111.9 | E128 W129 C132 L185 K186 | E128-L182 HydrophobicContact CB-CD2 4.02Å; W129-L182 HydrophobicContact CB-CD1 4.42Å; C132-L182 HydrophobicContact CB-CD1 3.71Å; L182-L185 PolarHBondContact O-N 2.92Å; L182-K186 HydrophobicContact CD1-CD 4.24Å; L182-K186 HydrophobicContact CD1-CG 4.22Å; L182-K186 HydrophobicContact CG-CD 4.16Å; L182-K186 WeakPolarHBondContact O-CB 3.44Å; L182-K186 WeakPolarHBondContact O-CG 3.07Å; L182-K186 PolarHBondContact O-N 2.96Å |
| 183 | S | 98 | Very high | 97.3 | Very high | 81 Ų | 81 | 68.1 Ų | 68.1 | 57% | 0.566 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -64 | -46.8 | 177.5 | 173.2 | 0 | 0 | 0 | 0 | 112.1 | T181 L185 K186 T187 | T181-S183 PolarHBondContact O-N 3.43Å; S183-L185 VanDerWaalsContact C-N 3.3Å; S183-L185 PolarHBondContact O-N 3.48Å; S183-K186 PolarHBondContact O-N 3.14Å; S183-T187 PolarHBondContact O-N 3.26Å; S183-T187 PolarHBondContact O-OG1 3.49Å; S183-T187 VanDerWaalsContact O-OG1 3.07Å |
| 184 | M | 98.1 | Very high | 97.2 | Very high | 92 Ų | 92 | 72 Ų | 72 | 45% | 0.453 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -61.8 | -40.6 | 177.3 | -70.1 | 170.9 | 70.4 | 0 | 0 | 111.8 | W173 A180 T181 K188 | W173-M184 HydrophobicContact CH2-CB 4.2Å; W173-M184 HydrophobicContact CZ2-CB 4.19Å; A180-M184 HydrophobicContact CB-CB 4.14Å; T181-M184 HydrophobicContact CG2-SD 4.42Å; T181-M184 PolarHBondContact O-N 3.37Å; T181-M184 WeakPolarHBondContact OG1-CG 3.33Å; T181-M184 PolarHBondContact OG1-N 2.95Å; M184-K188 WeakPolarHBondContact O-CB 3.24Å; M184-K188 PolarHBondContact O-N 3.14Å |
| 185 | L | 98.1 | Very high | 97.3 | Very high | 4 Ų | 4 | 74.7 Ų | 74.7 | 2% | 0.021 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -63.9 | -47.2 | 177.5 | -179.5 | 65.4 | 0 | 0 | 0 | 111.7 | W129 C132 R133 F136 W173 T181 L182 S183 K188 K189 | W129-L185 HydrophobicContact CD2-CD2 4.41Å; W129-L185 HydrophobicContact CG-CD2 4.34Å; C132-L185 HydrophobicContact CB-CD2 3.94Å; R133-L185 HydrophobicContact CB-CD2 3.81Å; F136-L185 HydrophobicContact CD1-CD1 3.81Å; W173-L185 HydrophobicContact CH2-CB 4.37Å; W173-L185 HydrophobicContact CH2-CD1 4.45Å; W173-L185 HydrophobicContact CZ3-CB 4.44Å; W173-L185 HydrophobicContact CZ3-CD1 3.7Å; T181-L185 PolarHBondContact O-N 2.89Å; L182-L185 PolarHBondContact O-N 2.92Å; S183-L185 VanDerWaalsContact C-N 3.3Å; S183-L185 PolarHBondContact O-N 3.48Å; L185-K188 PolarHBondContact O-N 3.03Å; L185-K189 WeakPolarHBondContact O-CB 3.31Å; L185-K189 PolarHBondContact O-N 3.13Å |
| 186 | K | 98.3 | Very high | 97.3 | Very high | 94 Ų | 94 | 69.8 Ų | 69.8 | 41% | 0.409 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -58 | -50.3 | 174.7 | -78 | 177.4 | 173.2 | 171.9 | 0 | 111.5 | L182 S183 K188 K189 E190 | L182-K186 HydrophobicContact CD1-CD 4.24Å; L182-K186 HydrophobicContact CD1-CG 4.22Å; L182-K186 HydrophobicContact CG-CD 4.16Å; L182-K186 WeakPolarHBondContact O-CB 3.44Å; L182-K186 WeakPolarHBondContact O-CG 3.07Å; L182-K186 PolarHBondContact O-N 2.96Å; S183-K186 PolarHBondContact O-N 3.14Å; K186-K188 VanDerWaalsContact C-N 3.31Å; K186-K188 PolarHBondContact O-N 3.16Å; K186-K189 WeakPolarHBondContact O-CB 3.18Å; K186-K189 PolarHBondContact O-N 3Å; K186-E190 WeakPolarHBondContact O-CB 3.37Å; K186-E190 WeakPolarHBondContact O-CG 3.29Å; K186-E190 PolarHBondContact O-N 3.06Å |
| 187 | T | 98.5 | Very high | 97.3 | Very high | 82 Ų | 82 | 65.5 Ų | 65.5 | 50% | 0.503 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -58.7 | -42.4 | 178.5 | -61 | 0 | 0 | 0 | 0 | 112 | S183 Q191 | S183-T187 PolarHBondContact O-N 3.26Å; S183-T187 PolarHBondContact O-OG1 3.49Å; S183-T187 VanDerWaalsContact O-OG1 3.07Å; T187-Q191 WeakPolarHBondContact O-CB 3.31Å; T187-Q191 PolarHBondContact O-N 3.46Å |
| 188 | K | 98.4 | Very high | 97.1 | Very high | 17 Ų | 17 | 66.7 Ų | 66.7 | 7% | 0.074 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -68.4 | -41.7 | 177.4 | -174 | 62.5 | 169.6 | 178.1 | 0 | 112 | F136 D169 W173 M184 L185 K186 Q191 I192 | F136-K188 HydrophobicContact CE1-CB 4.07Å; F136-K188 HydrophobicContact CE1-CG 3.7Å; F136-K188 HydrophobicContact CZ-CG 3.83Å; D169-K188 IonicContact OD1-NZ 3.16Å; D169-K188 PolarHBondContact OD1-NZ 3.27Å; D169-K188 IonicContact OD2-NZ 3.51Å; D169-K188 PolarHBondContact OD2-NZ 3.43Å; W173-K188 HydrophobicContact CB-CD 4.47Å; W173-K188 HydrophobicContact CB-CG 4.26Å; W173-K188 HydrophobicContact CD2-CB 4.01Å; W173-K188 HydrophobicContact CD2-CD 4.24Å; W173-K188 HydrophobicContact CD2-CG 3.55Å; W173-K188 HydrophobicContact CE3-CB 4.07Å; W173-K188 HydrophobicContact CE3-CG 3.81Å; W173-K188 HydrophobicContact CG-CD 3.99Å; W173-K188 HydrophobicContact CG-CG 3.74Å; W173-K188 HydrophobicContact CH2-CB 4.14Å; W173-K188 HydrophobicContact CZ2-CB 4.04Å; W173-K188 HydrophobicContact CZ2-CG 4.47Å; W173-K188 HydrophobicContact CZ3-CB 4.16Å; W173-K188 HydrophobicContact CZ3-CG 4.4Å; M184-K188 WeakPolarHBondContact O-CB 3.24Å; M184-K188 PolarHBondContact O-N 3.14Å; L185-K188 PolarHBondContact O-N 3.03Å; K186-K188 VanDerWaalsContact C-N 3.31Å; K186-K188 PolarHBondContact O-N 3.16Å; K188-Q191 WeakPolarHBondContact O-CB 3.35Å; K188-Q191 PolarHBondContact O-N 2.8Å; K188-I192 WeakPolarHBondContact O-CG1 3.35Å; K188-I192 PolarHBondContact O-N 2.96Å; K188-I192 VanDerWaalsContact O-N 3.09Å |
| 189 | K | 98.3 | Very high | 97.1 | Very high | 36 Ų | 36 | 62.3 Ų | 62.3 | 16% | 0.157 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -57.5 | -51.7 | 175.1 | -178.8 | -170.3 | 170.6 | -159.9 | 0 | 110.4 | E135 F136 L139 L185 K186 Q191 I192 E193 | E135-K189 IonicContact OE2-NZ 2.6Å; E135-K189 PolarHBondContact OE2-NZ 2.69Å; F136-K189 HydrophobicContact CB-CB 4.12Å; F136-K189 HydrophobicContact CB-CD 4.09Å; F136-K189 HydrophobicContact CB-CG 3.88Å; F136-K189 HydrophobicContact CD1-CB 3.84Å; F136-K189 HydrophobicContact CD1-CG 4.44Å; F136-K189 HydrophobicContact CD2-CB 3.97Å; F136-K189 HydrophobicContact CD2-CG 3.83Å; F136-K189 HydrophobicContact CE1-CB 4.25Å; F136-K189 HydrophobicContact CE2-CB 4.38Å; F136-K189 HydrophobicContact CG-CB 3.71Å; F136-K189 HydrophobicContact CG-CG 3.8Å; L139-K189 HydrophobicContact CD2-CG 4.42Å; L185-K189 WeakPolarHBondContact O-CB 3.31Å; L185-K189 PolarHBondContact O-N 3.13Å; K186-K189 WeakPolarHBondContact O-CB 3.18Å; K186-K189 PolarHBondContact O-N 3Å; K189-Q191 VanDerWaalsContact C-N 3.32Å; K189-Q191 PolarHBondContact O-N 3.39Å; K189-I192 PolarHBondContact O-N 3.32Å; K189-I192 VanDerWaalsContact O-N 3.16Å; K189-E193 WeakPolarHBondContact O-CB 3.28Å; K189-E193 PolarHBondContact O-N 2.96Å |
| 190 | E | 98.3 | Very high | 97 | Very high | 108 Ų | 108 | 57 Ų | 57 | 51% | 0.505 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -57.5 | -43.1 | 177.7 | -73.1 | 168.1 | -174.4 | 0 | 0 | 111.9 | K186 I192 E193 L194 | K186-E190 WeakPolarHBondContact O-CB 3.37Å; K186-E190 WeakPolarHBondContact O-CG 3.29Å; K186-E190 PolarHBondContact O-N 3.06Å; E190-I192 PolarHBondContact O-N 3.14Å; E190-E193 PolarHBondContact O-N 3.13Å; E190-L194 WeakPolarHBondContact O-CG 3.44Å; E190-L194 PolarHBondContact O-N 2.96Å |
| 191 | Q | 98.4 | Very high | 96.6 | Very high | 96 Ų | 96 | 64.3 Ų | 64.3 | 45% | 0.449 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -57.7 | -47.7 | 175.9 | -176.5 | -169.6 | 5 | 0 | 0 | 111.8 | T187 K188 K189 I195 | T187-Q191 WeakPolarHBondContact O-CB 3.31Å; T187-Q191 PolarHBondContact O-N 3.46Å; K188-Q191 WeakPolarHBondContact O-CB 3.35Å; K188-Q191 PolarHBondContact O-N 2.8Å; K189-Q191 VanDerWaalsContact C-N 3.32Å; K189-Q191 PolarHBondContact O-N 3.39Å; Q191-I195 WeakPolarHBondContact O-CG1 3.34Å |
| 192 | I | 98.4 | Very high | 95.8 | Very high | 1 Ų | 1 | 64.6 Ų | 64.6 | 1% | 0.005 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -68.8 | -41.3 | 178.7 | -62.5 | -51.4 | 0 | 0 | 0 | 110.8 | F136 L139 A166 D169 K188 K189 E190 L194 I195 V196 | F136-I192 HydrophobicContact CE2-CB 3.76Å; F136-I192 HydrophobicContact CE2-CG1 3.77Å; F136-I192 HydrophobicContact CE2-CG2 4.06Å; F136-I192 HydrophobicContact CZ-CB 4.13Å; F136-I192 HydrophobicContact CZ-CG1 3.65Å; L139-I192 HydrophobicContact CD2-CG2 4.45Å; A166-I192 HydrophobicContact CB-CD1 4.39Å; A166-I192 HydrophobicContact CB-CG2 4.46Å; A166-I192 WeakPolarHBondContact O-CD1 2.96Å; D169-I192 HydrophobicContact CB-CD1 4.48Å; K188-I192 WeakPolarHBondContact O-CG1 3.35Å; K188-I192 PolarHBondContact O-N 2.96Å; K188-I192 VanDerWaalsContact O-N 3.09Å; K189-I192 PolarHBondContact O-N 3.32Å; K189-I192 VanDerWaalsContact O-N 3.16Å; E190-I192 PolarHBondContact O-N 3.14Å; I192-L194 VanDerWaalsContact C-N 3.34Å; I192-L194 PolarHBondContact O-N 2.8Å; I192-I195 PolarHBondContact O-N 3.13Å; I192-I195 VanDerWaalsContact O-N 3.09Å; I192-V196 HydrophobicContact CG2-CG1 4.34Å; I192-V196 WeakPolarHBondContact O-CG2 3.42Å; I192-V196 PolarHBondContact O-N 3.36Å |
| 193 | E | 97.6 | Very high | 94.7 | Very high | 81 Ų | 81 | 65.8 Ų | 65.8 | 38% | 0.379 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -57.8 | -44.4 | 179.4 | -169.6 | 164.2 | -165.1 | 0 | 0 | 111.9 | L139 K189 E190 I195 V196 E197 | L139-E193 HydrophobicContact CD2-CB 3.8Å; L139-E193 HydrophobicContact CD2-CG 4.23Å; K189-E193 WeakPolarHBondContact O-CB 3.28Å; K189-E193 PolarHBondContact O-N 2.96Å; E190-E193 PolarHBondContact O-N 3.13Å; E193-I195 VanDerWaalsContact C-N 3.29Å; E193-I195 PolarHBondContact O-N 3.14Å; E193-V196 PolarHBondContact O-N 2.84Å; E193-E197 WeakPolarHBondContact O-CB 3.29Å; E193-E197 PolarHBondContact O-N 3.33Å |
| 194 | L | 97.5 | Very high | 93.4 | Very high | 125 Ų | 125 | 66 Ų | 66 | 65% | 0.654 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -60.4 | -36.1 | 175.3 | -73.3 | 170.6 | 0 | 0 | 0 | 113.1 | E190 I192 | E190-L194 WeakPolarHBondContact O-CG 3.44Å; E190-L194 PolarHBondContact O-N 2.96Å; I192-L194 VanDerWaalsContact C-N 3.34Å; I192-L194 PolarHBondContact O-N 2.8Å |
| 195 | I | 97.8 | Very high | 91.8 | Very high | 63 Ų | 63 | 66.4 Ų | 66.4 | 32% | 0.323 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -72.5 | -38.3 | 179.5 | -62.4 | 165.4 | 0 | 0 | 0 | 110.7 | I162 A166 Q191 I192 E193 | I162-I195 HydrophobicContact CG2-CG2 3.66Å; A166-I195 HydrophobicContact CB-CB 4.2Å; A166-I195 HydrophobicContact CB-CD1 4.39Å; A166-I195 HydrophobicContact CB-CG2 3.71Å; Q191-I195 WeakPolarHBondContact O-CG1 3.34Å; I192-I195 PolarHBondContact O-N 3.13Å; I192-I195 VanDerWaalsContact O-N 3.09Å; E193-I195 VanDerWaalsContact C-N 3.29Å; E193-I195 PolarHBondContact O-N 3.14Å |
| 196 | V | 96.7 | Very high | 89.9 | Confident | 0 Ų | 0 | 72 Ų | 72 | 0% | 0 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -95.1 | -6.2 | -174.1 | -55.1 | 0 | 0 | 0 | 0 | 113.9 | L139 V143 A166 I192 E193 P198 F199 L200 | L139-V196 HydrophobicContact CD1-CG2 3.88Å; L139-V196 HydrophobicContact CG-CG2 4.37Å; V143-V196 HydrophobicContact CG1-CB 4.23Å; V143-V196 HydrophobicContact CG1-CG1 4.07Å; V143-V196 HydrophobicContact CG2-CB 3.66Å; V143-V196 HydrophobicContact CG2-CG1 4.1Å; V143-V196 HydrophobicContact CG2-CG2 3.64Å; A166-V196 HydrophobicContact CB-CG1 4.01Å; I192-V196 HydrophobicContact CG2-CG1 4.34Å; I192-V196 WeakPolarHBondContact O-CG2 3.42Å; I192-V196 PolarHBondContact O-N 3.36Å; E193-V196 PolarHBondContact O-N 2.84Å; V196-P198 VanDerWaalsContact C-N 3.33Å; V196-F199 HydrophobicContact CB-CD2 4.46Å; V196-F199 WeakPolarHBondContact O-CB 3.2Å; V196-F199 WeakPolarHBondContact O-CD2 3.44Å; V196-F199 PolarHBondContact O-N 3.08Å; V196-L200 HydrophobicContact CG2-CD1 4.37Å; V196-L200 PolarHBondContact O-N 3.22Å |
| 197 | E | 95.8 | Very high | 87.6 | Confident | 72 Ų | 72 | 76.8 Ų | 76.8 | 34% | 0.336 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -49.4 | -42.6 | 179.7 | -174 | -178.6 | -163.5 | 0 | 0 | 114 | E193 F199 L200 R201 | E193-E197 WeakPolarHBondContact O-CB 3.29Å; E193-E197 PolarHBondContact O-N 3.33Å; E197-F199 PolarHBondContact O-N 2.94Å; E197-L200 PolarHBondContact O-N 2.92Å; E197-R201 VanDerWaalsContact CD-NH2 3.28Å; E197-R201 HydrophobicContact CG-CG 4.24Å; E197-R201 WeakPolarHBondContact O-CG 3.26Å; E197-R201 PolarHBondContact O-N 3.45Å; E197-R201 IonicContact OE1-CZ 3.12Å; E197-R201 IonicContact OE1-NE 2.64Å; E197-R201 PolarHBondContact OE1-NE 3.04Å; E197-R201 IonicContact OE1-NH2 2.68Å; E197-R201 PolarHBondContact OE1-NH2 3.28Å; E197-R201 IonicContact OE2-NH2 2.67Å |
| 198 | P | 93.5 | Very high | 87.1 | Confident | 78 Ų | 78 | 76.5 Ų | 76.5 | 51% | 0.506 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -58.6 | -32.5 | 178 | -25.7 | 36.3 | 0 | 0 | 0 | 113.8 | V196 K202 | V196-P198 VanDerWaalsContact C-N 3.33Å; P198-K202 PolarHBondContact O-N 3.41Å |
| 199 | F | 92.8 | Very high | 86.5 | Confident | 8 Ų | 8 | 79.6 Ų | 79.6 | 4% | 0.035 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -74.9 | -38 | -179.8 | -56.7 | -94.4 | 0 | 0 | 0 | 111.1 | I146 L147 Y155 E159 A163 V196 E197 K203 | I146-F199 HydrophobicContact CG2-CB 4.37Å; L147-F199 HydrophobicContact CD2-CD1 3.93Å; L147-F199 HydrophobicContact CD2-CE1 4.06Å; Y155-F199 AromaticContact CD1-CD1 3.7Å; Y155-F199 HydrophobicContact CD1-CD1 3.7Å; Y155-F199 AromaticContact CD1-CE1 3.65Å; Y155-F199 HydrophobicContact CD1-CE1 3.65Å; Y155-F199 AromaticContact CE1-CD1 3.47Å; Y155-F199 HydrophobicContact CE1-CD1 3.47Å; Y155-F199 VanDerWaalsContact CE1-CD1 3.47Å; Y155-F199 AromaticContact CE1-CE1 3.93Å; Y155-F199 HydrophobicContact CE1-CE1 3.93Å; Y155-F199 HydrophobicContact CE1-CG 4.31Å; Y155-F199 HydrophobicContact CE2-CD1 4.35Å; Y155-F199 HydrophobicContact CG-CD1 4.23Å; Y155-F199 HydrophobicContact CG-CE1 4.09Å; Y155-F199 AromaticContact CZ-CD1 3.84Å; E159-F199 HydrophobicContact CB-CE1 4.01Å; E159-F199 HydrophobicContact CB-CZ 3.85Å; E159-F199 WeakPolarHBondContact O-CZ 3.36Å; A163-F199 HydrophobicContact CB-CD1 4.22Å; A163-F199 HydrophobicContact CB-CD2 4.14Å; A163-F199 HydrophobicContact CB-CE1 3.85Å; A163-F199 HydrophobicContact CB-CE2 3.78Å; A163-F199 HydrophobicContact CB-CG 4.37Å; A163-F199 HydrophobicContact CB-CZ 3.64Å; V196-F199 HydrophobicContact CB-CD2 4.46Å; V196-F199 WeakPolarHBondContact O-CB 3.2Å; V196-F199 WeakPolarHBondContact O-CD2 3.44Å; V196-F199 PolarHBondContact O-N 3.08Å; E197-F199 PolarHBondContact O-N 2.94Å; F199-K203 PolarHBondContact O-N 3.35Å |
| 200 | L | 91.1 | Very high | 85.8 | Confident | 34 Ų | 34 | 82.1 Ų | 82.1 | 18% | 0.178 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -66.2 | -47.4 | 176.7 | -58.6 | 178.7 | 0 | 0 | 0 | 111.5 | L139 L142 V143 I146 V196 E197 K202 K203 S204 | L139-L200 HydrophobicContact CD1-CD1 3.74Å; L139-L200 HydrophobicContact CD1-CD2 4.44Å; L142-L200 HydrophobicContact CD2-CD2 3.78Å; L142-L200 HydrophobicContact CG-CD2 4.07Å; V143-L200 HydrophobicContact CG2-CD2 3.98Å; I146-L200 HydrophobicContact CD1-CD2 3.8Å; V196-L200 HydrophobicContact CG2-CD1 4.37Å; V196-L200 PolarHBondContact O-N 3.22Å; E197-L200 PolarHBondContact O-N 2.92Å; L200-K202 VanDerWaalsContact C-N 3.31Å; L200-K202 PolarHBondContact O-N 3.08Å; L200-K203 PolarHBondContact O-N 3.43Å; L200-S204 PolarHBondContact O-N 3.36Å; L200-S204 PolarHBondContact O-OG 3.02Å |
| 201 | R | 88.6 | Confident | 85.1 | Confident | 164 Ų | 164 | 80.5 Ų | 80.5 | 62% | 0.619 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -59.4 | -41 | -179.7 | -71.2 | -179.8 | -179.3 | -168.9 | 3.2 | 112.3 | E197 K203 S204 S205 | E197-R201 VanDerWaalsContact CD-NH2 3.28Å; E197-R201 HydrophobicContact CG-CG 4.24Å; E197-R201 WeakPolarHBondContact O-CG 3.26Å; E197-R201 PolarHBondContact O-N 3.45Å; E197-R201 IonicContact OE1-CZ 3.12Å; E197-R201 IonicContact OE1-NE 2.64Å; E197-R201 PolarHBondContact OE1-NE 3.04Å; E197-R201 IonicContact OE1-NH2 2.68Å; E197-R201 PolarHBondContact OE1-NH2 3.28Å; E197-R201 IonicContact OE2-NH2 2.67Å; R201-K203 PolarHBondContact O-N 3.46Å; R201-S204 PolarHBondContact O-N 3.06Å; R201-S205 PolarHBondContact O-N 2.81Å |
| 202 | K | 80.7 | Confident | 84.3 | Confident | 85 Ų | 85 | 79.6 Ų | 79.6 | 37% | 0.37 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -65.4 | -38.5 | -179.2 | -167.9 | 170.4 | 178.9 | 172.1 | 0 | 112.2 | D154 Y155 P198 L200 S205 V206 | D154-K202 PolarHBondContact O-NZ 3.28Å; Y155-K202 HydrophobicContact CE1-CD 3.84Å; P198-K202 PolarHBondContact O-N 3.41Å; L200-K202 VanDerWaalsContact C-N 3.31Å; L200-K202 PolarHBondContact O-N 3.08Å; K202-S205 PolarHBondContact O-N 3.18Å; K202-V206 WeakPolarHBondContact O-CG2 3.46Å |
| 203 | K | 73.6 | Confident | 83.3 | Confident | 61 Ų | 61 | 84.8 Ų | 84.8 | 27% | 0.265 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -67.5 | -40.7 | 175.8 | 178.7 | 162 | 174.7 | 176.8 | 0 | 112.4 | I146 F199 L200 R201 S205 V206 M207 | I146-K203 HydrophobicContact CD1-CB 4.22Å; I146-K203 HydrophobicContact CD1-CD 3.92Å; I146-K203 HydrophobicContact CG1-CB 4.23Å; I146-K203 HydrophobicContact CG1-CD 3.38Å; I146-K203 HydrophobicContact CG1-CG 4.42Å; F199-K203 PolarHBondContact O-N 3.35Å; L200-K203 PolarHBondContact O-N 3.43Å; R201-K203 PolarHBondContact O-N 3.46Å; K203-S205 PolarHBondContact O-N 2.92Å; K203-V206 PolarHBondContact O-N 3.26Å; K203-V206 VanDerWaalsContact O-N 3.1Å; K203-M207 HydrophobicContact CG-CE 3.94Å; K203-M207 PolarHBondContact O-N 2.84Å |
| 204 | S | 70.9 | Confident | 82.3 | Confident | 84 Ų | 84 | 85.1 Ų | 85.1 | 59% | 0.587 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -65.4 | -19.6 | 176.2 | -57 | 0 | 0 | 0 | 0 | 113.6 | L200 R201 | L200-S204 PolarHBondContact O-N 3.36Å; L200-S204 PolarHBondContact O-OG 3.02Å; R201-S204 PolarHBondContact O-N 3.06Å |
| 205 | S | 64.5 | Low | 81.1 | Confident | 101 Ų | 101 | 82 Ų | 82 | 71% | 0.706 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.8 | -8.8 | 175.2 | -173.7 | 0 | 0 | 0 | 0 | 113.8 | R201 K202 K203 | R201-S205 PolarHBondContact O-N 2.81Å; K202-S205 PolarHBondContact O-N 3.18Å; K203-S205 PolarHBondContact O-N 2.92Å |
| 206 | V | 59.2 | Low | 79.7 | Confident | 122 Ų | 122 | 83.6 Ų | 83.6 | 74% | 0.739 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.3 | -9.6 | -174 | 179.6 | 0 | 0 | 0 | 0 | 112.1 | K202 K203 | K202-V206 WeakPolarHBondContact O-CG2 3.46Å; K203-V206 PolarHBondContact O-N 3.26Å; K203-V206 VanDerWaalsContact O-N 3.1Å |
| 207 | M | 49.5 | Very low | 78.2 | Confident | 194 Ų | 194 | 91.2 Ų | 91.2 | 96% | 0.956 | 48% | 0.482 | S | S | * | . | trans | -100.2 | 0 | 170.2 | -70.7 | -173.5 | -65.1 | 0 | 0 | 110.7 | K203 | K203-M207 HydrophobicContact CG-CE 3.94Å; K203-M207 PolarHBondContact O-N 2.84Å |
Retrieved 207 of 207 residues in 90.3 ms
(Link to these results)