| 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 | 36 | Very low | 61.2 | Low | 243 Ų | 243 | 108.1 Ų | 108.1 | 100% | 1.197 | 65% | 0.652 | S | S | * | * | 0 | 77.1 | 0 | -74.7 | -166.8 | -84 | 0 | 0 | 109.3 | G3 | M1-G3 PolarHBondContact O-N 3.18Å; M1-G3 VanDerWaalsContact O-N 3.15Å | |||
| 2 | A | 37.2 | Very low | 63.6 | Low | 101 Ų | 101 | 113.2 Ų | 113.2 | 84% | 0.835 | 65% | 0.651 | S | S | * | * | trans | -64.6 | 116 | 173 | 0 | 0 | 0 | 0 | 0 | 107.6 | I4 | A2-I4 PolarHBondContact O-N 2.91Š| ||
| 3 | G | 42.8 | Very low | 65.8 | Low | 71 Ų | 71 | 109.2 Ų | 109.2 | 73% | 0.732 | 62% | 0.619 | S | S | * | * | trans | -56.2 | 106.2 | -172.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | M1 I5 | M1-G3 PolarHBondContact O-N 3.18Å; M1-G3 VanDerWaalsContact O-N 3.15Å; G3-I5 VanDerWaalsContact C-N 3.28Å; G3-I5 PolarHBondContact O-N 3.46Å | ||
| 4 | I | 45.4 | Very low | 67.7 | Low | 158 Ų | 158 | 102.9 Ų | 102.9 | 81% | 0.81 | 58% | 0.583 | S | S | * | * | trans | -63 | 100.1 | 159.4 | -61.2 | 170 | 0 | 0 | 0 | 104.3 | A2 A6 | A2-I4 PolarHBondContact O-N 2.91Å; I4-A6 PolarHBondContact O-N 3.19Å | ||
| 5 | I | 44.9 | Very low | 69.3 | Low | 151 Ų | 151 | 108 Ų | 108 | 77% | 0.774 | 60% | 0.596 | S | S | * | * | trans | -55.6 | 101.7 | 164 | -62.7 | 172.8 | 0 | 0 | 0 | 104.3 | G3 V7 | G3-I5 VanDerWaalsContact C-N 3.28Å; G3-I5 PolarHBondContact O-N 3.46Å; I5-V7 PolarHBondContact O-N 3.47Å | ||
| 6 | A | 52.1 | Low | 70.6 | Confident | 77 Ų | 77 | 110.6 Ų | 110.6 | 64% | 0.636 | 60% | 0.602 | S | S | * | * | trans | -57.5 | 104.8 | -179.5 | 0 | 0 | 0 | 0 | 0 | 107 | I4 I8 | I4-A6 PolarHBondContact O-N 3.19Å; A6-I8 PolarHBondContact O-N 2.96Å | ||
| 7 | V | 67.6 | Low | 71.8 | Confident | 138 Ų | 138 | 107.3 Ų | 107.3 | 84% | 0.836 | 58% | 0.584 | S | S | * | * | trans | -59.9 | 105.8 | 177.8 | 178.9 | 0 | 0 | 0 | 0 | 105.9 | I5 S9 | I5-V7 PolarHBondContact O-N 3.47Å; V7-S9 PolarHBondContact O-N 3.36Å; V7-S9 VanDerWaalsContact O-N 3.16Å | ||
| 8 | I | 78 | Confident | 72.9 | Confident | 82 Ų | 82 | 104.4 Ų | 104.4 | 42% | 0.421 | 57% | 0.572 | S | S | . | * | trans | -56.1 | 124.2 | 179.4 | -61.5 | 175 | 0 | 0 | 0 | 106.8 | A6 R12 R13 | A6-I8 PolarHBondContact O-N 2.96Å; I8-R12 HydrophobicContact CG2-CB 3.45Å; I8-R12 VanDerWaalsContact CG2-CB 3.45Å; I8-R13 HydrophobicContact CB-CG 4.31Å; I8-R13 HydrophobicContact CG2-CG 3.92Å | ||
| 9 | S | 89.2 | Confident | 73.9 | Confident | 41 Ų | 41 | 101.5 Ų | 101.5 | 29% | 0.287 | 55% | 0.553 | S | S | . | * | trans | -57.9 | 149.1 | -178 | 88.2 | 0 | 0 | 0 | 0 | 111 | V7 E11 R12 R13 | V7-S9 PolarHBondContact O-N 3.36Å; V7-S9 VanDerWaalsContact O-N 3.16Å; S9-E11 VanDerWaalsContact CB-OE2 3.23Å; S9-E11 WeakPolarHBondContact CB-OE2 3.39Å; S9-E11 PolarHBondContact O-N 3.2Å; S9-E11 VanDerWaalsContact O-N 3.15Å; S9-E11 PolarHBondContact OG-OE2 3.42Å; S9-R12 PolarHBondContact O-N 2.83Å; S9-R12 PolarHBondContact OG-N 2.86Å; S9-R13 PolarHBondContact O-N 3.15Å | ||
| 10 | P | 88.3 | Confident | 74.9 | Confident | 30 Ų | 30 | 97.7 Ų | 97.7 | 20% | 0.195 | 53% | 0.532 | C | S | . | . | H | α-helix | trans | -54.6 | -34.2 | 179 | -26.6 | 35 | 0 | 0 | 0 | 113.6 | R13 I14 A23 L26 L27 | P10-R13 WeakPolarHBondContact O-CB 3.31Å; P10-R13 PolarHBondContact O-N 2.8Å; P10-I14 WeakPolarHBondContact O-CG1 3.1Å; P10-I14 PolarHBondContact O-N 3.41Å; P10-A23 HydrophobicContact CB-CB 4.18Å; P10-L26 HydrophobicContact CB-CB 4.49Å; P10-L26 HydrophobicContact CG-CB 4.2Å; P10-L26 HydrophobicContact CG-CD1 4.2Å; P10-L27 HydrophobicContact CB-CD1 4.28Å; P10-L27 HydrophobicContact CB-CD2 3.81Å; P10-L27 HydrophobicContact CB-CG 3.76Å; P10-L27 HydrophobicContact CG-CD2 4.32Å |
| 11 | E | 91.5 | Very high | 75.8 | Confident | 97 Ų | 97 | 94.3 Ų | 94.3 | 45% | 0.453 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -65.5 | -39.7 | 176.4 | -55.3 | 82 | 178.2 | 0 | 0 | 112.1 | S9 I14 K15 L27 | S9-E11 VanDerWaalsContact CB-OE2 3.23Å; S9-E11 WeakPolarHBondContact CB-OE2 3.39Å; S9-E11 PolarHBondContact O-N 3.2Å; S9-E11 VanDerWaalsContact O-N 3.15Å; S9-E11 PolarHBondContact OG-OE2 3.42Å; E11-I14 PolarHBondContact O-N 2.79Å; E11-K15 WeakPolarHBondContact O-CG 3.4Å; E11-K15 PolarHBondContact O-N 3.4Å; E11-L27 HydrophobicContact CG-CD1 4.19Å; E11-L27 HydrophobicContact CG-CD2 4.31Å; E11-L27 VanDerWaalsContact OE1-CD2 3.31Å; E11-L27 WeakPolarHBondContact OE1-CD2 3.28Å |
| 12 | R | 90.5 | Very high | 78.5 | Confident | 169 Ų | 169 | 88.3 Ų | 88.3 | 64% | 0.638 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -68.1 | -39.3 | 176 | -73.3 | -177.2 | -179.3 | -174.3 | 0.3 | 111.1 | I8 S9 I14 K15 Q16 | I8-R12 HydrophobicContact CG2-CB 3.45Å; I8-R12 VanDerWaalsContact CG2-CB 3.45Å; S9-R12 PolarHBondContact O-N 2.83Å; S9-R12 PolarHBondContact OG-N 2.86Å; R12-I14 PolarHBondContact O-N 3.45Å; R12-K15 PolarHBondContact O-N 3.28Å; R12-Q16 WeakPolarHBondContact O-CG 3.45Å; R12-Q16 PolarHBondContact O-N 2.92Å |
| 13 | R | 91.3 | Very high | 81.2 | Confident | 62 Ų | 62 | 83.5 Ų | 83.5 | 23% | 0.234 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -58.7 | -45.3 | 173.3 | -70.9 | 173.6 | 57.3 | 173.4 | -0.5 | 111.8 | I8 S9 P10 K15 Q16 N17 D20 E22 A23 | I8-R13 HydrophobicContact CB-CG 4.31Å; I8-R13 HydrophobicContact CG2-CG 3.92Å; S9-R13 PolarHBondContact O-N 3.15Å; P10-R13 WeakPolarHBondContact O-CB 3.31Å; P10-R13 PolarHBondContact O-N 2.8Å; R13-K15 PolarHBondContact O-N 3.44Å; R13-Q16 PolarHBondContact O-N 3.44Å; R13-N17 PolarHBondContact O-N 2.85Å; R13-D20 IonicContact CZ-OD1 2.75Å; R13-D20 IonicContact CZ-OD2 3.8Å; R13-D20 IonicContact NE-OD2 2.78Å; R13-D20 PolarHBondContact NE-OD2 2.85Å; R13-D20 VanDerWaalsContact NH2-CG 3.33Å; R13-D20 IonicContact NH2-OD1 2.72Å; R13-D20 PolarHBondContact NH2-OD1 2.93Å; R13-D20 IonicContact NH2-OD2 2.74Å; R13-D20 PolarHBondContact NH2-OD2 3.19Å; R13-E22 IonicContact CZ-OE2 3.01Å; R13-E22 IonicContact NH1-OE2 3.35Å; R13-E22 PolarHBondContact NH1-OE2 3.38Å; R13-E22 IonicContact NH2-OE2 3.58Å; R13-E22 PolarHBondContact NH2-OE2 3.29Å; R13-A23 HydrophobicContact CB-CB 3.85Å |
| 14 | I | 92.7 | Very high | 83.8 | Confident | 21 Ų | 21 | 80.9 Ų | 80.9 | 11% | 0.108 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -64.6 | -38.7 | 177 | -68.6 | 165.5 | 0 | 0 | 0 | 111.8 | P10 E11 R12 Q16 N17 P18 A23 W24 L27 | P10-I14 WeakPolarHBondContact O-CG1 3.1Å; P10-I14 PolarHBondContact O-N 3.41Å; E11-I14 PolarHBondContact O-N 2.79Å; R12-I14 PolarHBondContact O-N 3.45Å; I14-Q16 VanDerWaalsContact C-N 3.32Å; I14-Q16 PolarHBondContact O-N 3.43Å; I14-N17 CarbonylContact O-C 3.55Å; I14-N17 PolarHBondContact O-N 3.45Å; I14-P18 VanDerWaalsContact O-CA 3.3Å; I14-P18 WeakPolarHBondContact O-CA 3.29Å; I14-A23 HydrophobicContact CD1-CB 4.22Å; I14-A23 HydrophobicContact CG1-CB 3.77Å; I14-W24 HydrophobicContact CD1-CD2 3.6Å; I14-W24 HydrophobicContact CD1-CE3 3.97Å; I14-W24 HydrophobicContact CD1-CG 3.86Å; I14-W24 HydrophobicContact CD1-CZ2 4.31Å; I14-W24 HydrophobicContact CD1-CZ3 4.48Å; I14-W24 HydrophobicContact CG1-CD2 4.22Å; I14-W24 HydrophobicContact CG1-CG 4.22Å; I14-W24 HydrophobicContact CG2-CH2 4.32Å; I14-W24 HydrophobicContact CG2-CZ2 3.54Å; I14-L27 HydrophobicContact CD1-CD1 3.45Å; I14-L27 VanDerWaalsContact CD1-CD1 3.45Å; I14-L27 HydrophobicContact CD1-CG 4.49Å |
| 15 | K | 91.7 | Very high | 86.1 | Confident | 179 Ų | 179 | 75.5 Ų | 75.5 | 78% | 0.778 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -63.2 | -38.2 | 175.9 | -75.5 | -179.2 | -179.8 | -174.3 | 0 | 112.5 | E11 R12 R13 | E11-K15 WeakPolarHBondContact O-CG 3.4Å; E11-K15 PolarHBondContact O-N 3.4Å; R12-K15 PolarHBondContact O-N 3.28Å; R13-K15 PolarHBondContact O-N 3.44Å |
| 16 | Q | 90.6 | Very high | 88.5 | Confident | 149 Ų | 149 | 71.3 Ų | 71.3 | 70% | 0.696 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -74.1 | -40.2 | 176 | -70.5 | 175.7 | -10 | 0 | 0 | 112 | R12 R13 I14 | R12-Q16 WeakPolarHBondContact O-CG 3.45Å; R12-Q16 PolarHBondContact O-N 2.92Å; R13-Q16 PolarHBondContact O-N 3.44Å; I14-Q16 VanDerWaalsContact C-N 3.32Å; I14-Q16 PolarHBondContact O-N 3.43Å |
| 17 | N | 90.4 | Very high | 90.5 | Very high | 55 Ų | 55 | 68.6 Ų | 68.6 | 29% | 0.294 | 34% | 0.338 | S | S | . | . | trans | -139.1 | 97.5 | 179.9 | -179.5 | 3.3 | 0 | 0 | 0 | 110.1 | R13 I14 F19 D20 R247 | R13-N17 PolarHBondContact O-N 2.85Å; I14-N17 CarbonylContact O-C 3.55Å; I14-N17 PolarHBondContact O-N 3.45Å; N17-F19 PolarHBondContact O-N 3.04Å; N17-F19 WeakPolarHBondContact OD1-CA 3.28Å; N17-F19 WeakPolarHBondContact OD1-CB 3.5Å; N17-F19 PolarHBondContact OD1-N 2.86Å; N17-D20 HydrophobicContact CB-CB 4.38Å; N17-D20 WeakPolarHBondContact O-CB 3.36Å; N17-D20 PolarHBondContact O-N 3.06Å; N17-R247 PolarHBondContact ND2-NH2 3.02Å; N17-R247 VanDerWaalsContact ND2-NH2 3.16Å | ||
| 18 | P | 92.5 | Very high | 91.8 | Very high | 56 Ų | 56 | 62.8 Ų | 62.8 | 36% | 0.364 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | -19.3 | 178.4 | -27.9 | 36.3 | 0 | 0 | 0 | 114.1 | I14 W24 Q49 | I14-P18 VanDerWaalsContact O-CA 3.3Å; I14-P18 WeakPolarHBondContact O-CA 3.29Å; P18-W24 PolarHBondContact O-NE1 3.41Å; P18-Q49 WeakPolarHBondContact O-CG 3.22Å; P18-Q49 PolarHBondContact O-NE2 3.01Å |
| 19 | F | 92.2 | Very high | 92.6 | Very high | 49 Ų | 49 | 66.6 Ų | 66.6 | 22% | 0.215 | 31% | 0.311 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.6 | 17.8 | 177.3 | -61 | -77 | 0 | 0 | 0 | 113.5 | N17 V21 Q49 F50 V244 P245 R247 F296 | N17-F19 PolarHBondContact O-N 3.04Å; N17-F19 WeakPolarHBondContact OD1-CA 3.28Å; N17-F19 WeakPolarHBondContact OD1-CB 3.5Å; N17-F19 PolarHBondContact OD1-N 2.86Å; F19-V21 VanDerWaalsContact C-N 3.34Å; F19-V21 PolarHBondContact O-N 3.48Å; F19-Q49 VanDerWaalsContact CD1-NE2 3.35Å; F19-F50 HydrophobicContact CD1-CE1 4.04Å; F19-V244 HydrophobicContact CB-CB 4.42Å; F19-V244 HydrophobicContact CB-CG1 4.17Å; F19-V244 HydrophobicContact CD1-CG1 4.45Å; F19-P245 HydrophobicContact CD1-CG 4.1Å; F19-P245 HydrophobicContact CD2-CG 3.7Å; F19-P245 HydrophobicContact CE1-CG 4.04Å; F19-P245 HydrophobicContact CE2-CG 3.62Å; F19-P245 VanDerWaalsContact CG-CD 3.4Å; F19-P245 HydrophobicContact CG-CG 3.94Å; F19-P245 HydrophobicContact CZ-CG 3.78Å; F19-R247 PolarHBondContact O-NH2 3.4Å; F19-R247 VanDerWaalsContact O-NH2 3.1Å; F19-F296 HydrophobicContact CD1-CE2 4.44Å; F19-F296 HydrophobicContact CD1-CZ 4.28Å; F19-F296 HydrophobicContact CE1-CE1 4.01Å; F19-F296 AromaticContact CE1-CE2 3.91Å; F19-F296 HydrophobicContact CE1-CE2 3.91Å; F19-F296 AromaticContact CE1-CZ 3.35Å; F19-F296 HydrophobicContact CE1-CZ 3.35Å; F19-F296 HydrophobicContact CZ-CE1 4.03Å; F19-F296 AromaticContact CZ-CZ 3.82Å; F19-F296 HydrophobicContact CZ-CZ 3.82Å |
| 20 | D | 92.7 | Very high | 92.7 | Very high | 25 Ų | 25 | 68.6 Ų | 68.6 | 13% | 0.134 | 32% | 0.318 | C | S | . | . | trans | -76.5 | 84.3 | 169.5 | -170.4 | -18.1 | 0 | 0 | 0 | 111 | R13 N17 E22 A23 W24 | R13-D20 IonicContact CZ-OD1 2.75Å; R13-D20 IonicContact CZ-OD2 3.8Å; R13-D20 IonicContact NE-OD2 2.78Å; R13-D20 PolarHBondContact NE-OD2 2.85Å; R13-D20 VanDerWaalsContact NH2-CG 3.33Å; R13-D20 IonicContact NH2-OD1 2.72Å; R13-D20 PolarHBondContact NH2-OD1 2.93Å; R13-D20 IonicContact NH2-OD2 2.74Å; R13-D20 PolarHBondContact NH2-OD2 3.19Å; N17-D20 HydrophobicContact CB-CB 4.38Å; N17-D20 WeakPolarHBondContact O-CB 3.36Å; N17-D20 PolarHBondContact O-N 3.06Å; D20-E22 PolarHBondContact O-N 3.14Å; D20-E22 PolarHBondContact OD1-N 2.84Å; D20-A23 HydrophobicContact CB-CB 4.04Å; D20-A23 PolarHBondContact O-N 2.86Å; D20-A23 PolarHBondContact OD1-N 2.71Å; D20-A23 VanDerWaalsContact OD1-N 3.08Å; D20-W24 PolarHBondContact O-N 2.88Å; D20-W24 VanDerWaalsContact O-N 3.15Å | ||
| 21 | V | 93.6 | Very high | 92.9 | Very high | 27 Ų | 27 | 67.7 Ų | 67.7 | 16% | 0.164 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -59.8 | -30.7 | -178 | 179.2 | 0 | 0 | 0 | 0 | 112.5 | F19 N25 F50 V242 V244 | F19-V21 VanDerWaalsContact C-N 3.34Å; F19-V21 PolarHBondContact O-N 3.48Å; V21-N25 WeakPolarHBondContact O-CB 3.35Å; V21-N25 VanDerWaalsContact O-CG 3.27Å; V21-N25 PolarHBondContact O-N 3.5Å; V21-N25 PolarHBondContact O-ND2 2.8Å; V21-N25 VanDerWaalsContact O-ND2 3.13Å; V21-F50 HydrophobicContact CG2-CE1 3.96Å; V21-F50 HydrophobicContact CG2-CZ 3.94Å; V21-V242 HydrophobicContact CG1-CB 4.16Å; V21-V242 HydrophobicContact CG1-CG2 4.37Å; V21-V242 HydrophobicContact CG2-CB 4.17Å; V21-V242 HydrophobicContact CG2-CG1 4.05Å; V21-V244 HydrophobicContact CG2-CG1 3.45Å; V21-V244 VanDerWaalsContact CG2-CG1 3.45Å |
| 22 | E | 93.1 | Very high | 93 | Very high | 116 Ų | 116 | 67.9 Ų | 67.9 | 54% | 0.542 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -69.7 | -46.2 | 178.8 | -174 | -172.5 | -151.6 | 0 | 0 | 110.7 | R13 D20 W24 N25 L26 | R13-E22 IonicContact CZ-OE2 3.01Å; R13-E22 IonicContact NH1-OE2 3.35Å; R13-E22 PolarHBondContact NH1-OE2 3.38Å; R13-E22 IonicContact NH2-OE2 3.58Å; R13-E22 PolarHBondContact NH2-OE2 3.29Å; D20-E22 PolarHBondContact O-N 3.14Å; D20-E22 PolarHBondContact OD1-N 2.84Å; E22-W24 VanDerWaalsContact C-N 3.32Å; E22-W24 PolarHBondContact O-N 2.87Å; E22-N25 WeakPolarHBondContact O-CB 3.27Å; E22-N25 PolarHBondContact O-N 3.17Å; E22-N25 VanDerWaalsContact O-N 3.09Å; E22-L26 WeakPolarHBondContact O-CG 3.4Å; E22-L26 PolarHBondContact O-N 3.37Å |
| 23 | A | 93.7 | Very high | 93 | Very high | 0 Ų | 0 | 70 Ų | 70 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -58.9 | -43.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | P10 R13 I14 D20 N25 L26 L27 | P10-A23 HydrophobicContact CB-CB 4.18Å; R13-A23 HydrophobicContact CB-CB 3.85Å; I14-A23 HydrophobicContact CD1-CB 4.22Å; I14-A23 HydrophobicContact CG1-CB 3.77Å; D20-A23 HydrophobicContact CB-CB 4.04Å; D20-A23 PolarHBondContact O-N 2.86Å; D20-A23 PolarHBondContact OD1-N 2.71Å; D20-A23 VanDerWaalsContact OD1-N 3.08Å; A23-N25 VanDerWaalsContact C-N 3.33Å; A23-N25 PolarHBondContact O-N 2.88Å; A23-L26 PolarHBondContact O-N 3.22Å; A23-L27 PolarHBondContact O-N 3.47Å; A23-L27 VanDerWaalsContact O-N 3.14Å |
| 24 | W | 97 | Very high | 93.1 | Very high | 17 Ų | 17 | 72.8 Ų | 72.8 | 6% | 0.064 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -60.1 | -40.9 | 173.3 | -77.7 | 107.6 | 0 | 0 | 0 | 112.9 | I14 P18 D20 E22 L27 L28 F42 A45 L46 Q49 F50 | I14-W24 HydrophobicContact CD1-CD2 3.6Å; I14-W24 HydrophobicContact CD1-CE3 3.97Å; I14-W24 HydrophobicContact CD1-CG 3.86Å; I14-W24 HydrophobicContact CD1-CZ2 4.31Å; I14-W24 HydrophobicContact CD1-CZ3 4.48Å; I14-W24 HydrophobicContact CG1-CD2 4.22Å; I14-W24 HydrophobicContact CG1-CG 4.22Å; I14-W24 HydrophobicContact CG2-CH2 4.32Å; I14-W24 HydrophobicContact CG2-CZ2 3.54Å; P18-W24 PolarHBondContact O-NE1 3.41Å; D20-W24 PolarHBondContact O-N 2.88Å; D20-W24 VanDerWaalsContact O-N 3.15Å; E22-W24 VanDerWaalsContact C-N 3.32Å; E22-W24 PolarHBondContact O-N 2.87Å; W24-L27 PolarHBondContact O-N 3.47Å; W24-L28 WeakPolarHBondContact O-CB 3.33Å; W24-L28 PolarHBondContact O-N 2.73Å; W24-F42 HydrophobicContact CE3-CD2 4.47Å; W24-F42 AromaticContact CE3-CE2 3.61Å; W24-F42 HydrophobicContact CE3-CE2 3.61Å; W24-F42 AromaticContact CE3-CZ 3.87Å; W24-F42 HydrophobicContact CE3-CZ 3.87Å; W24-F42 HydrophobicContact CZ3-CD2 4.07Å; W24-F42 AromaticContact CZ3-CE2 3.66Å; W24-F42 HydrophobicContact CZ3-CE2 3.66Å; W24-F42 HydrophobicContact CZ3-CZ 4.22Å; W24-A45 HydrophobicContact CH2-CB 4Å; W24-A45 HydrophobicContact CZ3-CB 4.42Å; W24-L46 HydrophobicContact CB-CD1 4.01Å; W24-L46 HydrophobicContact CD2-CD1 3.81Å; W24-L46 HydrophobicContact CE3-CB 4.17Å; W24-L46 HydrophobicContact CE3-CD1 3.51Å; W24-L46 HydrophobicContact CE3-CG 4.43Å; W24-L46 HydrophobicContact CG-CD1 4.06Å; W24-L46 HydrophobicContact CZ3-CB 4.02Å; W24-L46 HydrophobicContact CZ3-CD1 4.2Å; W24-Q49 HydrophobicContact CZ2-CB 4.22Å; W24-Q49 HydrophobicContact CZ2-CG 4.24Å; W24-F50 HydrophobicContact CB-CE2 4.46Å; W24-F50 AromaticContact CD1-CE2 3.45Å; W24-F50 VanDerWaalsContact CD1-CE2 3.45Å; W24-F50 AromaticContact CD1-CZ 3.75Å; W24-F50 HydrophobicContact CD2-CE2 4.23Å; W24-F50 AromaticContact CG-CE2 3.83Å; W24-F50 HydrophobicContact CG-CE2 3.83Å; W24-F50 AromaticContact NE1-CE2 3.62Å; W24-F50 AromaticContact NE1-CZ 3.95Å |
| 25 | N | 95.1 | Very high | 93 | Very high | 44 Ų | 44 | 79.4 Ų | 79.4 | 24% | 0.235 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -67.6 | -37.6 | 178 | -79.2 | -35.5 | 0 | 0 | 0 | 112.7 | V21 E22 A23 L28 R29 R55 F56 | V21-N25 WeakPolarHBondContact O-CB 3.35Å; V21-N25 VanDerWaalsContact O-CG 3.27Å; V21-N25 PolarHBondContact O-N 3.5Å; V21-N25 PolarHBondContact O-ND2 2.8Å; V21-N25 VanDerWaalsContact O-ND2 3.13Å; E22-N25 WeakPolarHBondContact O-CB 3.27Å; E22-N25 PolarHBondContact O-N 3.17Å; E22-N25 VanDerWaalsContact O-N 3.09Å; A23-N25 VanDerWaalsContact C-N 3.33Å; A23-N25 PolarHBondContact O-N 2.88Å; N25-L28 PolarHBondContact O-N 3.5Å; N25-R29 WeakPolarHBondContact O-CG 3.29Å; N25-R29 PolarHBondContact O-N 3.35Å; N25-R55 PolarHBondContact ND2-NH2 3.07Å; N25-R55 VanDerWaalsContact ND2-NH2 3.12Å; N25-R55 PolarHBondContact OD1-NH2 2.81Å; N25-F56 WeakPolarHBondContact OD1-CE1 3.39Å |
| 26 | L | 93.8 | Very high | 92.9 | Very high | 63 Ų | 63 | 71 Ų | 71 | 33% | 0.33 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -60.1 | -49.9 | 174.4 | -70.2 | 172.7 | 0 | 0 | 0 | 110.3 | P10 E22 A23 L28 R29 D30 | P10-L26 HydrophobicContact CB-CB 4.49Å; P10-L26 HydrophobicContact CG-CB 4.2Å; P10-L26 HydrophobicContact CG-CD1 4.2Å; E22-L26 WeakPolarHBondContact O-CG 3.4Å; E22-L26 PolarHBondContact O-N 3.37Å; A23-L26 PolarHBondContact O-N 3.22Å; L26-L28 VanDerWaalsContact C-N 3.33Å; L26-L28 PolarHBondContact O-N 3.33Å; L26-R29 PolarHBondContact O-N 3.42Å; L26-D30 PolarHBondContact O-N 3.24Å |
| 27 | L | 95 | Very high | 92.7 | Very high | 21 Ų | 21 | 68.2 Ų | 68.2 | 11% | 0.11 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -62.7 | -38.1 | 176.7 | -66.2 | -178.9 | 0 | 0 | 0 | 112.9 | P10 E11 I14 A23 W24 R29 D30 V31 F42 | P10-L27 HydrophobicContact CB-CD1 4.28Å; P10-L27 HydrophobicContact CB-CD2 3.81Å; P10-L27 HydrophobicContact CB-CG 3.76Å; P10-L27 HydrophobicContact CG-CD2 4.32Å; E11-L27 HydrophobicContact CG-CD1 4.19Å; E11-L27 HydrophobicContact CG-CD2 4.31Å; E11-L27 VanDerWaalsContact OE1-CD2 3.31Å; E11-L27 WeakPolarHBondContact OE1-CD2 3.28Å; I14-L27 HydrophobicContact CD1-CD1 3.45Å; I14-L27 VanDerWaalsContact CD1-CD1 3.45Å; I14-L27 HydrophobicContact CD1-CG 4.49Å; A23-L27 PolarHBondContact O-N 3.47Å; A23-L27 VanDerWaalsContact O-N 3.14Å; W24-L27 PolarHBondContact O-N 3.47Å; L27-R29 VanDerWaalsContact C-N 3.31Å; L27-R29 PolarHBondContact O-N 2.99Å; L27-D30 PolarHBondContact O-N 3.17Å; L27-V31 VanDerWaalsContact O-CB 3.32Å; L27-V31 WeakPolarHBondContact O-CB 3.34Å; L27-V31 VanDerWaalsContact O-CG2 3.28Å; L27-V31 WeakPolarHBondContact O-CG2 3.39Å; L27-V31 PolarHBondContact O-N 3.35Å; L27-F42 HydrophobicContact CB-CD2 4.48Å; L27-F42 HydrophobicContact CB-CE2 3.49Å; L27-F42 VanDerWaalsContact CB-CE2 3.49Å; L27-F42 HydrophobicContact CB-CZ 3.73Å; L27-F42 HydrophobicContact CD1-CE2 3.93Å; L27-F42 HydrophobicContact CG-CE2 4.37Å |
| 28 | L | 95.4 | Very high | 92.7 | Very high | 15 Ų | 15 | 70.4 Ų | 70.4 | 8% | 0.079 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -60.8 | -39.6 | 178.8 | 178.5 | 60.9 | 0 | 0 | 0 | 111.9 | W24 N25 L26 D30 V31 Q32 F42 Y43 L46 F56 A59 | W24-L28 WeakPolarHBondContact O-CB 3.33Å; W24-L28 PolarHBondContact O-N 2.73Å; N25-L28 PolarHBondContact O-N 3.5Å; L26-L28 VanDerWaalsContact C-N 3.33Å; L26-L28 PolarHBondContact O-N 3.33Å; L28-D30 VanDerWaalsContact C-N 3.32Å; L28-D30 PolarHBondContact O-N 3.47Å; L28-V31 PolarHBondContact O-N 3.34Å; L28-Q32 HydrophobicContact CD1-CG 4.22Å; L28-Q32 VanDerWaalsContact O-CG 3.32Å; L28-Q32 WeakPolarHBondContact O-CG 3.34Å; L28-Q32 PolarHBondContact O-N 3.45Å; L28-F42 HydrophobicContact CB-CE1 4.18Å; L28-F42 HydrophobicContact CB-CZ 4.21Å; L28-F42 HydrophobicContact CD1-CE1 4.02Å; L28-Y43 HydrophobicContact CD1-CD1 4.49Å; L28-Y43 HydrophobicContact CD1-CE1 3.58Å; L28-L46 HydrophobicContact CD1-CD2 4.26Å; L28-L46 HydrophobicContact CD2-CD2 4.41Å; L28-F56 HydrophobicContact CD2-CD1 3.92Å; L28-F56 HydrophobicContact CD2-CE1 4.01Å; L28-A59 HydrophobicContact CD1-CB 4.41Å; L28-A59 HydrophobicContact CD2-CB 4.35Å |
| 29 | R | 93.7 | Very high | 92.7 | Very high | 163 Ų | 163 | 68.1 Ų | 68.1 | 62% | 0.615 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -62.3 | -40.1 | 177.2 | -68.5 | 176.6 | -165.7 | -172.4 | 5.1 | 111.9 | N25 L26 L27 | N25-R29 WeakPolarHBondContact O-CG 3.29Å; N25-R29 PolarHBondContact O-N 3.35Å; L26-R29 PolarHBondContact O-N 3.42Å; L27-R29 VanDerWaalsContact C-N 3.31Å; L27-R29 PolarHBondContact O-N 2.99Å |
| 30 | D | 91.7 | Very high | 92.8 | Very high | 82 Ų | 82 | 67.5 Ų | 67.5 | 44% | 0.439 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -72.1 | -40 | 177.7 | -66.6 | -22.2 | 0 | 0 | 0 | 111.7 | L26 L27 L28 Q32 R33 | L26-D30 PolarHBondContact O-N 3.24Å; L27-D30 PolarHBondContact O-N 3.17Å; L28-D30 VanDerWaalsContact C-N 3.32Å; L28-D30 PolarHBondContact O-N 3.47Å; D30-Q32 VanDerWaalsContact C-N 3.34Å; D30-Q32 PolarHBondContact O-N 3.19Å; D30-R33 PolarHBondContact O-N 3.22Å |
| 31 | V | 92.5 | Very high | 92.8 | Very high | 11 Ų | 11 | 73 Ų | 73 | 7% | 0.067 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -62.1 | -39.5 | 177.7 | 157.5 | 0 | 0 | 0 | 0 | 112.1 | L27 L28 R33 K34 V39 F42 Y43 | L27-V31 VanDerWaalsContact O-CB 3.32Å; L27-V31 WeakPolarHBondContact O-CB 3.34Å; L27-V31 VanDerWaalsContact O-CG2 3.28Å; L27-V31 WeakPolarHBondContact O-CG2 3.39Å; L27-V31 PolarHBondContact O-N 3.35Å; L28-V31 PolarHBondContact O-N 3.34Å; V31-R33 PolarHBondContact O-N 3.09Å; V31-R33 VanDerWaalsContact O-N 3.1Å; V31-K34 PolarHBondContact O-N 3.07Å; V31-V39 HydrophobicContact CB-CB 4.49Å; V31-V39 HydrophobicContact CB-CG1 4.35Å; V31-V39 HydrophobicContact CG1-CB 3.62Å; V31-V39 HydrophobicContact CG1-CG1 3.95Å; V31-V39 HydrophobicContact CG1-CG2 3.75Å; V31-V39 HydrophobicContact CG2-CB 4.37Å; V31-V39 HydrophobicContact CG2-CG1 4.09Å; V31-F42 HydrophobicContact CB-CD1 4.07Å; V31-F42 HydrophobicContact CB-CE1 4.18Å; V31-F42 HydrophobicContact CG1-CD1 3.76Å; V31-F42 HydrophobicContact CG1-CE1 4.16Å; V31-F42 HydrophobicContact CG2-CB 4.3Å; V31-F42 HydrophobicContact CG2-CD1 3.69Å; V31-F42 HydrophobicContact CG2-CD2 4.24Å; V31-F42 HydrophobicContact CG2-CE1 4Å; V31-F42 HydrophobicContact CG2-CG 3.8Å; V31-F42 HydrophobicContact CG2-CZ 4.41Å; V31-Y43 HydrophobicContact CG1-CD2 4.29Å; V31-Y43 HydrophobicContact CG1-CE2 3.6Å |
| 32 | Q | 93.7 | Very high | 92.9 | Very high | 101 Ų | 101 | 73.3 Ų | 73.3 | 47% | 0.472 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63 | -16 | 179.2 | -78.7 | 178.1 | -36.1 | 0 | 0 | 114 | L28 D30 | L28-Q32 HydrophobicContact CD1-CG 4.22Å; L28-Q32 VanDerWaalsContact O-CG 3.32Å; L28-Q32 WeakPolarHBondContact O-CG 3.34Å; L28-Q32 PolarHBondContact O-N 3.45Å; D30-Q32 VanDerWaalsContact C-N 3.34Å; D30-Q32 PolarHBondContact O-N 3.19Å |
| 33 | R | 91.6 | Very high | 93.1 | Very high | 213 Ų | 213 | 67.8 Ų | 67.8 | 80% | 0.804 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.5 | -17.3 | 175.7 | -60.4 | 176.3 | 179.6 | -178 | -1.7 | 113 | D30 V31 | D30-R33 PolarHBondContact O-N 3.22Å; V31-R33 PolarHBondContact O-N 3.09Å; V31-R33 VanDerWaalsContact O-N 3.1Å |
| 34 | K | 93.4 | Very high | 93.1 | Very high | 121 Ų | 121 | 70 Ų | 70 | 53% | 0.526 | 32% | 0.324 | S | S | . | . | S | Bend | trans | -89.3 | 165.5 | -177.1 | -63.5 | 178.5 | -177.6 | 177.3 | 0 | 111.2 | V31 V39 H63 | V31-K34 PolarHBondContact O-N 3.07Å; K34-V39 HydrophobicContact CB-CG1 3.7Å; K34-V39 HydrophobicContact CD-CG1 3.91Å; K34-V39 HydrophobicContact CG-CG1 4.41Å; K34-H63 PolarHBondContact O-CE1 3.07Å; K34-H63 VanDerWaalsContact O-CE1 3.31Å; K34-H63 PolarHBondContact O-NE2 3.33Å |
| 35 | K | 89.9 | Confident | 93 | Very high | 161 Ų | 161 | 71.2 Ų | 71.2 | 70% | 0.7 | 34% | 0.337 | S | S | * | . | trans | -69.8 | 133.1 | 174.7 | -66.2 | -179.7 | -177 | 172.8 | 0 | 110 | E37 T38 | K35-E37 PolarHBondContact O-N 3.03Å; K35-T38 PolarHBondContact O-N 3.2Å; K35-T38 PolarHBondContact O-OG1 2.9Å | ||
| 36 | I | 88.6 | Confident | 93.1 | Very high | 2 Ų | 2 | 69.1 Ų | 69.1 | 1% | 0.01 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -51.9 | -36.6 | -176.8 | -170.7 | 55.1 | 0 | 0 | 0 | 112.7 | T38 V39 R40 Y43 Y60 H63 E64 A67 | I36-T38 PolarHBondContact O-N 2.72Å; I36-T38 VanDerWaalsContact O-N 3.12Å; I36-V39 HydrophobicContact CD1-CG2 4.12Å; I36-V39 PolarHBondContact O-N 2.84Å; I36-R40 HydrophobicContact CD1-CG 4.34Å; I36-R40 HydrophobicContact CG1-CG 4.27Å; I36-R40 WeakPolarHBondContact O-CG 3.25Å; I36-R40 PolarHBondContact O-N 3Å; I36-Y43 HydrophobicContact CD1-CD2 3.88Å; I36-Y43 HydrophobicContact CD1-CE2 3.82Å; I36-Y60 HydrophobicContact CD1-CD2 4.5Å; I36-Y60 HydrophobicContact CD1-CE2 4.36Å; I36-H63 HydrophobicContact CD1-CB 4.13Å; I36-E64 HydrophobicContact CD1-CG 4.18Å; I36-E64 HydrophobicContact CG1-CG 3.93Å; I36-E64 VanDerWaalsContact CG1-OE1 3.28Å; I36-E64 WeakPolarHBondContact CG1-OE1 3.38Å; I36-A67 HydrophobicContact CB-CB 4.16Å; I36-A67 HydrophobicContact CG2-CB 3.31Å |
| 37 | E | 86.7 | Confident | 93.1 | Very high | 90 Ų | 90 | 66.2 Ų | 66.2 | 42% | 0.421 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -56.9 | -32.3 | 180 | -65.2 | 70.1 | -152.1 | 0 | 0 | 112.8 | K35 R40 R83 | K35-E37 PolarHBondContact O-N 3.03Å; E37-R40 IonicContact OE1-NH2 3.31Å; E37-R83 IonicContact OE1-CZ 2.98Å; E37-R83 IonicContact OE1-NH2 3.84Å; E37-R83 PolarHBondContact OE1-NH2 3.03Å |
| 38 | T | 90.4 | Very high | 93 | Very high | 102 Ų | 102 | 73.6 Ų | 73.6 | 63% | 0.626 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -88.7 | -13.9 | -177.9 | 62.6 | 0 | 0 | 0 | 0 | 113.8 | K35 I36 | K35-T38 PolarHBondContact O-N 3.2Å; K35-T38 PolarHBondContact O-OG1 2.9Å; I36-T38 PolarHBondContact O-N 2.72Å; I36-T38 VanDerWaalsContact O-N 3.12Å |
| 39 | V | 93.5 | Very high | 92.9 | Very high | 8 Ų | 8 | 75.2 Ų | 75.2 | 5% | 0.048 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -122.7 | 1 | -170.6 | -62.7 | 0 | 0 | 0 | 0 | 114.2 | V31 K34 I36 N41 F42 Y43 | V31-V39 HydrophobicContact CB-CB 4.49Å; V31-V39 HydrophobicContact CB-CG1 4.35Å; V31-V39 HydrophobicContact CG1-CB 3.62Å; V31-V39 HydrophobicContact CG1-CG1 3.95Å; V31-V39 HydrophobicContact CG1-CG2 3.75Å; V31-V39 HydrophobicContact CG2-CB 4.37Å; V31-V39 HydrophobicContact CG2-CG1 4.09Å; K34-V39 HydrophobicContact CB-CG1 3.7Å; K34-V39 HydrophobicContact CD-CG1 3.91Å; K34-V39 HydrophobicContact CG-CG1 4.41Å; I36-V39 HydrophobicContact CD1-CG2 4.12Å; I36-V39 PolarHBondContact O-N 2.84Å; V39-N41 PolarHBondContact O-N 3.39Å; V39-F42 WeakPolarHBondContact O-CB 3.35Å; V39-F42 PolarHBondContact O-N 3.26Å; V39-Y43 HydrophobicContact CG2-CD2 4.28Å; V39-Y43 HydrophobicContact CG2-CE2 4.01Å; V39-Y43 PolarHBondContact O-N 3.24Å |
| 40 | R | 93.4 | Very high | 92.9 | Very high | 35 Ų | 35 | 67.5 Ų | 67.5 | 13% | 0.132 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -51 | -43.1 | 174.3 | -84.1 | 171.2 | -173.1 | 126.9 | 13.1 | 112.8 | I36 E37 F42 Y43 E44 E64 | I36-R40 HydrophobicContact CD1-CG 4.34Å; I36-R40 HydrophobicContact CG1-CG 4.27Å; I36-R40 WeakPolarHBondContact O-CG 3.25Å; I36-R40 PolarHBondContact O-N 3Å; E37-R40 IonicContact OE1-NH2 3.31Å; R40-F42 PolarHBondContact O-N 3.37Å; R40-Y43 PolarHBondContact O-N 3.35Å; R40-Y43 VanDerWaalsContact O-N 3.09Å; R40-E44 WeakPolarHBondContact O-CG 3.12Å; R40-E44 PolarHBondContact O-N 3.34Å; R40-E64 WeakPolarHBondContact CG-OE1 3.3Å; R40-E64 IonicContact CZ-OE1 2.87Å; R40-E64 IonicContact CZ-OE2 3.01Å; R40-E64 IonicContact NE-OE1 3.43Å; R40-E64 PolarHBondContact NE-OE1 3.22Å; R40-E64 IonicContact NE-OE2 3.73Å; R40-E64 IonicContact NH2-OE1 3.46Å; R40-E64 PolarHBondContact NH2-OE1 3.45Å; R40-E64 IonicContact NH2-OE2 3.43Å; R40-E64 PolarHBondContact NH2-OE2 3.5Å; R40-E64 VanDerWaalsContact NH2-OE2 3.13Å |
| 41 | N | 93.2 | Very high | 92.9 | Very high | 140 Ų | 140 | 65.1 Ų | 65.1 | 75% | 0.749 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -60.1 | -35.1 | 179.1 | -68.2 | -11.4 | 0 | 0 | 0 | 112.4 | V39 A45 | V39-N41 PolarHBondContact O-N 3.39Å; N41-A45 WeakPolarHBondContact O-CB 3.41Å; N41-A45 PolarHBondContact O-N 3.44Å |
| 42 | F | 95.8 | Very high | 92.9 | Very high | 35 Ų | 35 | 65.2 Ų | 65.2 | 15% | 0.154 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -66.9 | -47 | 173.9 | 170.8 | -90.8 | 0 | 0 | 0 | 111.3 | W24 L27 L28 V31 V39 R40 E44 A45 L46 | W24-F42 HydrophobicContact CE3-CD2 4.47Å; W24-F42 AromaticContact CE3-CE2 3.61Å; W24-F42 HydrophobicContact CE3-CE2 3.61Å; W24-F42 AromaticContact CE3-CZ 3.87Å; W24-F42 HydrophobicContact CE3-CZ 3.87Å; W24-F42 HydrophobicContact CZ3-CD2 4.07Å; W24-F42 AromaticContact CZ3-CE2 3.66Å; W24-F42 HydrophobicContact CZ3-CE2 3.66Å; W24-F42 HydrophobicContact CZ3-CZ 4.22Å; L27-F42 HydrophobicContact CB-CD2 4.48Å; L27-F42 HydrophobicContact CB-CE2 3.49Å; L27-F42 VanDerWaalsContact CB-CE2 3.49Å; L27-F42 HydrophobicContact CB-CZ 3.73Å; L27-F42 HydrophobicContact CD1-CE2 3.93Å; L27-F42 HydrophobicContact CG-CE2 4.37Å; L28-F42 HydrophobicContact CB-CE1 4.18Å; L28-F42 HydrophobicContact CB-CZ 4.21Å; L28-F42 HydrophobicContact CD1-CE1 4.02Å; V31-F42 HydrophobicContact CB-CD1 4.07Å; V31-F42 HydrophobicContact CB-CE1 4.18Å; V31-F42 HydrophobicContact CG1-CD1 3.76Å; V31-F42 HydrophobicContact CG1-CE1 4.16Å; V31-F42 HydrophobicContact CG2-CB 4.3Å; V31-F42 HydrophobicContact CG2-CD1 3.69Å; V31-F42 HydrophobicContact CG2-CD2 4.24Å; V31-F42 HydrophobicContact CG2-CE1 4Å; V31-F42 HydrophobicContact CG2-CG 3.8Å; V31-F42 HydrophobicContact CG2-CZ 4.41Å; V39-F42 WeakPolarHBondContact O-CB 3.35Å; V39-F42 PolarHBondContact O-N 3.26Å; R40-F42 PolarHBondContact O-N 3.37Å; F42-E44 VanDerWaalsContact C-N 3.35Å; F42-E44 PolarHBondContact O-N 3.47Å; F42-A45 PolarHBondContact O-N 2.93Å; F42-L46 HydrophobicContact CE1-CD2 4.04Å; F42-L46 HydrophobicContact CZ-CD2 4.48Å; F42-L46 WeakPolarHBondContact O-CB 3.04Å; F42-L46 PolarHBondContact O-N 3.36Å |
| 43 | Y | 96.3 | Very high | 92.9 | Very high | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -62 | -42.6 | 177.5 | -80.1 | -70.2 | 0 | 0 | 0 | 112.1 | L28 V31 I36 V39 R40 A45 L46 V47 A59 Y60 H63 | L28-Y43 HydrophobicContact CD1-CD1 4.49Å; L28-Y43 HydrophobicContact CD1-CE1 3.58Å; V31-Y43 HydrophobicContact CG1-CD2 4.29Å; V31-Y43 HydrophobicContact CG1-CE2 3.6Å; I36-Y43 HydrophobicContact CD1-CD2 3.88Å; I36-Y43 HydrophobicContact CD1-CE2 3.82Å; V39-Y43 HydrophobicContact CG2-CD2 4.28Å; V39-Y43 HydrophobicContact CG2-CE2 4.01Å; V39-Y43 PolarHBondContact O-N 3.24Å; R40-Y43 PolarHBondContact O-N 3.35Å; R40-Y43 VanDerWaalsContact O-N 3.09Å; Y43-A45 VanDerWaalsContact C-N 3.33Å; Y43-A45 PolarHBondContact O-N 3.11Å; Y43-L46 HydrophobicContact CD1-CD2 4.47Å; Y43-L46 PolarHBondContact O-N 3.06Å; Y43-V47 WeakPolarHBondContact O-CG1 3.49Å; Y43-V47 WeakPolarHBondContact O-CG2 3.48Å; Y43-V47 PolarHBondContact O-N 3.46Å; Y43-A59 HydrophobicContact CE1-CB 4.35Å; Y43-Y60 AromaticContact CD1-CD2 3.94Å; Y43-Y60 HydrophobicContact CD1-CD2 3.94Å; Y43-Y60 AromaticContact CD1-CG 3.79Å; Y43-Y60 HydrophobicContact CD1-CG 3.79Å; Y43-Y60 AromaticContact CD2-CD2 3.84Å; Y43-Y60 HydrophobicContact CD2-CD2 3.84Å; Y43-Y60 HydrophobicContact CD2-CE2 4.21Å; Y43-Y60 HydrophobicContact CG-CD1 4.43Å; Y43-Y60 AromaticContact CG-CD2 3.51Å; Y43-Y60 HydrophobicContact CG-CD2 3.51Å; Y43-Y60 HydrophobicContact CG-CE2 4.04Å; Y43-Y60 AromaticContact CG-CG 3.75Å; Y43-Y60 HydrophobicContact CG-CG 3.75Å; Y43-H63 HydrophobicContact CE2-CB 4.29Å; Y43-H63 AromaticContact CE2-ND1 3.41Å; Y43-H63 WeakPolarHBondContact CE2-ND1 3.42Å; Y43-H63 AromaticContact CZ-ND1 3.61Å; Y43-H63 PolarHBondContact OH-ND1 3.15Å |
| 44 | E | 94.8 | Very high | 93.1 | Very high | 47 Ų | 47 | 50.7 Ų | 50.7 | 22% | 0.22 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -60.8 | -41.7 | 175.3 | -69.9 | -58.1 | 150.8 | 0 | 0 | 111.8 | R40 F42 K48 Y60 N89 R97 | R40-E44 WeakPolarHBondContact O-CG 3.12Å; R40-E44 PolarHBondContact O-N 3.34Å; F42-E44 VanDerWaalsContact C-N 3.35Å; F42-E44 PolarHBondContact O-N 3.47Å; E44-K48 WeakPolarHBondContact O-CB 3.16Å; E44-K48 PolarHBondContact O-N 3.26Å; E44-Y60 WeakPolarHBondContact OE1-CE1 3.35Å; E44-Y60 PolarHBondContact OE1-OH 3.43Å; E44-N89 PolarHBondContact OE1-OD1 3.19Å; E44-R97 IonicContact OE1-CZ 3.49Å; E44-R97 IonicContact OE1-NH1 3.86Å; E44-R97 PolarHBondContact OE1-NH1 3.24Å; E44-R97 IonicContact OE1-NH2 2.92Å; E44-R97 IonicContact OE2-CZ 2.82Å; E44-R97 IonicContact OE2-NH1 3.69Å; E44-R97 PolarHBondContact OE2-NH1 3.23Å; E44-R97 IonicContact OE2-NH2 3.42Å; E44-R97 PolarHBondContact OE2-NH2 2.88Å |
| 45 | A | 95.1 | Very high | 93.2 | Very high | 42 Ų | 42 | 48.7 Ų | 48.7 | 35% | 0.347 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -64.3 | -42.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112 | W24 N41 F42 Y43 K48 Q49 | W24-A45 HydrophobicContact CH2-CB 4Å; W24-A45 HydrophobicContact CZ3-CB 4.42Å; N41-A45 WeakPolarHBondContact O-CB 3.41Å; N41-A45 PolarHBondContact O-N 3.44Å; F42-A45 PolarHBondContact O-N 2.93Å; Y43-A45 VanDerWaalsContact C-N 3.33Å; Y43-A45 PolarHBondContact O-N 3.11Å; A45-K48 PolarHBondContact O-N 3.21Å; A45-Q49 WeakPolarHBondContact O-CB 3.28Å; A45-Q49 PolarHBondContact O-N 3.03Å |
| 46 | L | 96.2 | Very high | 93.5 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -63.2 | -49.4 | -179.7 | 179 | 67.2 | 0 | 0 | 0 | 112 | W24 L28 F42 Y43 K48 Q49 F50 F56 | W24-L46 HydrophobicContact CB-CD1 4.01Å; W24-L46 HydrophobicContact CD2-CD1 3.81Å; W24-L46 HydrophobicContact CE3-CB 4.17Å; W24-L46 HydrophobicContact CE3-CD1 3.51Å; W24-L46 HydrophobicContact CE3-CG 4.43Å; W24-L46 HydrophobicContact CG-CD1 4.06Å; W24-L46 HydrophobicContact CZ3-CB 4.02Å; W24-L46 HydrophobicContact CZ3-CD1 4.2Å; L28-L46 HydrophobicContact CD1-CD2 4.26Å; L28-L46 HydrophobicContact CD2-CD2 4.41Å; F42-L46 HydrophobicContact CE1-CD2 4.04Å; F42-L46 HydrophobicContact CZ-CD2 4.48Å; F42-L46 WeakPolarHBondContact O-CB 3.04Å; F42-L46 PolarHBondContact O-N 3.36Å; Y43-L46 HydrophobicContact CD1-CD2 4.47Å; Y43-L46 PolarHBondContact O-N 3.06Å; L46-K48 VanDerWaalsContact C-N 3.32Å; L46-Q49 PolarHBondContact O-N 2.93Å; L46-F50 HydrophobicContact CD1-CD2 3.92Å; L46-F50 HydrophobicContact CD1-CE2 4.21Å; L46-F50 PolarHBondContact O-N 3.25Å; L46-F56 HydrophobicContact CD1-CD1 4.29Å; L46-F56 HydrophobicContact CD1-CD2 3.8Å; L46-F56 HydrophobicContact CD1-CE1 4.24Å; L46-F56 HydrophobicContact CD1-CE2 3.76Å; L46-F56 HydrophobicContact CD1-CG 4.08Å; L46-F56 HydrophobicContact CD1-CZ 3.95Å; L46-F56 HydrophobicContact CD2-CB 3.9Å; L46-F56 HydrophobicContact CD2-CD1 3.81Å; L46-F56 HydrophobicContact CD2-CD2 4.35Å; L46-F56 HydrophobicContact CD2-CE1 4.36Å; L46-F56 HydrophobicContact CD2-CG 3.79Å; L46-F56 HydrophobicContact CG-CB 4.07Å; L46-F56 HydrophobicContact CG-CD1 4.31Å; L46-F56 HydrophobicContact CG-CD2 3.96Å; L46-F56 HydrophobicContact CG-CE2 4.42Å; L46-F56 HydrophobicContact CG-CG 3.89Å |
| 47 | V | 94.6 | Very high | 93.9 | Very high | 2 Ų | 2 | 41.5 Ų | 41.5 | 1% | 0.012 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -75.4 | -22.2 | -179.8 | -57.1 | 0 | 0 | 0 | 0 | 112.5 | Y43 F50 P51 W57 Y60 | Y43-V47 WeakPolarHBondContact O-CG1 3.49Å; Y43-V47 WeakPolarHBondContact O-CG2 3.48Å; Y43-V47 PolarHBondContact O-N 3.46Å; V47-F50 CarbonylContact O-C 3.38Å; V47-P51 VanDerWaalsContact O-CA 3.24Å; V47-P51 WeakPolarHBondContact O-CA 3.41Å; V47-P51 WeakPolarHBondContact O-CD 3.27Å; V47-P51 WeakPolarHBondContact O-CG 3.45Å; V47-P51 VanDerWaalsContact O-N 3.09Å; V47-W57 HydrophobicContact CB-CD2 4.02Å; V47-W57 HydrophobicContact CB-CE3 4.04Å; V47-W57 HydrophobicContact CB-CH2 3.62Å; V47-W57 HydrophobicContact CB-CZ2 3.59Å; V47-W57 HydrophobicContact CB-CZ3 3.84Å; V47-W57 HydrophobicContact CG1-CD2 3.8Å; V47-W57 HydrophobicContact CG1-CE3 3.74Å; V47-W57 HydrophobicContact CG1-CG 4.41Å; V47-W57 HydrophobicContact CG1-CH2 4.26Å; V47-W57 HydrophobicContact CG1-CZ2 4.32Å; V47-W57 HydrophobicContact CG1-CZ3 3.98Å; V47-W57 HydrophobicContact CG2-CE3 4.34Å; V47-W57 HydrophobicContact CG2-CH2 3.45Å; V47-W57 VanDerWaalsContact CG2-CH2 3.45Å; V47-W57 HydrophobicContact CG2-CZ2 3.93Å; V47-W57 HydrophobicContact CG2-CZ3 3.68Å; V47-Y60 HydrophobicContact CG1-CD1 4.2Å |
| 48 | K | 92.8 | Very high | 94.3 | Very high | 175 Ų | 175 | 39.9 Ų | 39.9 | 76% | 0.761 | 20% | 0.201 | S | C | * | . | H | α-helix | trans | -71.3 | -36.2 | 168.2 | -177.9 | -178.4 | 178.5 | -175.7 | 0 | 111.8 | E44 A45 L46 P51 | E44-K48 WeakPolarHBondContact O-CB 3.16Å; E44-K48 PolarHBondContact O-N 3.26Å; A45-K48 PolarHBondContact O-N 3.21Å; L46-K48 VanDerWaalsContact C-N 3.32Å; K48-P51 VanDerWaalsContact O-CD 3.31Å; K48-P51 WeakPolarHBondContact O-CD 3.44Å |
| 49 | Q | 93 | Very high | 94.6 | Very high | 49 Ų | 49 | 35.4 Ų | 35.4 | 23% | 0.229 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -75 | -38 | 176.8 | -173.7 | 61.4 | 33.9 | 0 | 0 | 112.3 | P18 F19 W24 A45 L46 | P18-Q49 WeakPolarHBondContact O-CG 3.22Å; P18-Q49 PolarHBondContact O-NE2 3.01Å; F19-Q49 VanDerWaalsContact CD1-NE2 3.35Å; W24-Q49 HydrophobicContact CZ2-CB 4.22Å; W24-Q49 HydrophobicContact CZ2-CG 4.24Å; A45-Q49 WeakPolarHBondContact O-CB 3.28Å; A45-Q49 PolarHBondContact O-N 3.03Å; L46-Q49 PolarHBondContact O-N 2.93Å |
| 50 | F | 94 | Very high | 94.7 | Very high | 1 Ų | 1 | 35 Ų | 35 | 0% | 0.004 | 17% | 0.173 | C | C | . | . | trans | -127.6 | 64.7 | 178.8 | -49.9 | -77.6 | 0 | 0 | 0 | 114.4 | F19 V21 W24 L46 V47 N52 A53 F56 V242 V244 | F19-F50 HydrophobicContact CD1-CE1 4.04Å; V21-F50 HydrophobicContact CG2-CE1 3.96Å; V21-F50 HydrophobicContact CG2-CZ 3.94Å; W24-F50 HydrophobicContact CB-CE2 4.46Å; W24-F50 AromaticContact CD1-CE2 3.45Å; W24-F50 VanDerWaalsContact CD1-CE2 3.45Å; W24-F50 AromaticContact CD1-CZ 3.75Å; W24-F50 HydrophobicContact CD2-CE2 4.23Å; W24-F50 AromaticContact CG-CE2 3.83Å; W24-F50 HydrophobicContact CG-CE2 3.83Å; W24-F50 AromaticContact NE1-CE2 3.62Å; W24-F50 AromaticContact NE1-CZ 3.95Å; L46-F50 HydrophobicContact CD1-CD2 3.92Å; L46-F50 HydrophobicContact CD1-CE2 4.21Å; L46-F50 PolarHBondContact O-N 3.25Å; V47-F50 CarbonylContact O-C 3.38Å; F50-N52 VanDerWaalsContact C-N 3.29Å; F50-N52 PolarHBondContact O-N 3.1Å; F50-A53 HydrophobicContact CB-CB 3.75Å; F50-A53 WeakPolarHBondContact O-CB 3.48Å; F50-A53 PolarHBondContact O-N 3.18Å; F50-F56 HydrophobicContact CB-CD2 3.79Å; F50-F56 HydrophobicContact CB-CE2 3.98Å; F50-F56 AromaticContact CD2-CD2 3.93Å; F50-F56 HydrophobicContact CD2-CD2 3.93Å; F50-F56 AromaticContact CD2-CE2 3.49Å; F50-F56 HydrophobicContact CD2-CE2 3.49Å; F50-F56 VanDerWaalsContact CD2-CE2 3.49Å; F50-F56 HydrophobicContact CE2-CE2 4.11Å; F50-F56 HydrophobicContact CG-CD2 4.14Å; F50-F56 AromaticContact CG-CE2 3.83Å; F50-F56 HydrophobicContact CG-CE2 3.83Å; F50-V242 HydrophobicContact CB-CG1 4.04Å; F50-V242 HydrophobicContact CD1-CG1 3.17Å; F50-V242 HydrophobicContact CD2-CG1 4.5Å; F50-V242 HydrophobicContact CE1-CG1 3.63Å; F50-V242 HydrophobicContact CG-CG1 3.67Å; F50-V242 HydrophobicContact CZ-CG1 4.46Å; F50-V244 HydrophobicContact CE1-CG1 4.21Å | ||
| 51 | P | 91.9 | Very high | 94.7 | Very high | 33 Ų | 33 | 33.4 Ų | 33.4 | 21% | 0.214 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | -25.8 | 179.5 | -28.8 | 29.8 | 0 | 0 | 0 | 117.1 | V47 K48 W57 V102 F341 | V47-P51 VanDerWaalsContact O-CA 3.24Å; V47-P51 WeakPolarHBondContact O-CA 3.41Å; V47-P51 WeakPolarHBondContact O-CD 3.27Å; V47-P51 WeakPolarHBondContact O-CG 3.45Å; V47-P51 VanDerWaalsContact O-N 3.09Å; K48-P51 VanDerWaalsContact O-CD 3.31Å; K48-P51 WeakPolarHBondContact O-CD 3.44Å; P51-W57 PolarHBondContact O-NE1 3.47Å; P51-V102 WeakPolarHBondContact O-CG2 3.32Å; P51-F341 HydrophobicContact CB-CD1 4.29Å; P51-F341 HydrophobicContact CB-CD2 3.72Å; P51-F341 HydrophobicContact CB-CE1 3.94Å; P51-F341 HydrophobicContact CB-CE2 3.44Å; P51-F341 VanDerWaalsContact CB-CE2 3.44Å; P51-F341 HydrophobicContact CB-CG 4.22Å; P51-F341 HydrophobicContact CB-CZ 3.52Å; P51-F341 HydrophobicContact CG-CD2 3.43Å; P51-F341 VanDerWaalsContact CG-CD2 3.43Å; P51-F341 HydrophobicContact CG-CE1 4.44Å; P51-F341 HydrophobicContact CG-CE2 3.04Å; P51-F341 HydrophobicContact CG-CG 4.38Å; P51-F341 HydrophobicContact CG-CZ 3.6Å |
| 52 | N | 92.3 | Very high | 94.7 | Very high | 13 Ų | 13 | 29.8 Ų | 29.8 | 7% | 0.07 | 15% | 0.146 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.8 | -3.1 | 174.9 | 59.4 | -9.2 | 0 | 0 | 0 | 113.8 | F50 G54 S243 L291 L292 F341 | F50-N52 VanDerWaalsContact C-N 3.29Å; F50-N52 PolarHBondContact O-N 3.1Å; N52-G54 PolarHBondContact O-N 3.08Å; N52-S243 VanDerWaalsContact ND2-CB 3.28Å; N52-S243 WeakPolarHBondContact ND2-CB 3.48Å; N52-L291 PolarHBondContact ND2-O 3.44Å; N52-L292 HydrophobicContact CB-CD2 4.3Å; N52-F341 HydrophobicContact CB-CE1 3.68Å; N52-F341 HydrophobicContact CB-CZ 4.33Å |
| 53 | A | 94.7 | Very high | 94.6 | Very high | 5 Ų | 5 | 29.4 Ų | 29.4 | 4% | 0.041 | 14% | 0.144 | C | C | . | . | trans | -79.5 | 88.5 | -177.7 | 0 | 0 | 0 | 0 | 0 | 111 | F50 R55 F56 W57 V242 | F50-A53 HydrophobicContact CB-CB 3.75Å; F50-A53 WeakPolarHBondContact O-CB 3.48Å; F50-A53 PolarHBondContact O-N 3.18Å; A53-R55 PolarHBondContact O-N 3.17Å; A53-F56 HydrophobicContact CB-CB 4.25Å; A53-F56 HydrophobicContact CB-CD2 3.42Å; A53-F56 VanDerWaalsContact CB-CD2 3.42Å; A53-F56 HydrophobicContact CB-CE2 4.08Å; A53-F56 HydrophobicContact CB-CG 4.05Å; A53-F56 PolarHBondContact O-N 2.99Å; A53-W57 PolarHBondContact O-N 3.16Å; A53-V242 HydrophobicContact CB-CG1 4.32Å; A53-V242 HydrophobicContact CB-CG2 3.95Å | ||
| 54 | G | 94.8 | Very high | 94.3 | Very high | 4 Ų | 4 | 29.6 Ų | 29.6 | 4% | 0.041 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -52 | -32.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114 | N52 F56 W57 K58 V102 | N52-G54 PolarHBondContact O-N 3.08Å; G54-F56 VanDerWaalsContact C-N 3.34Å; G54-F56 PolarHBondContact O-N 3.39Å; G54-W57 PolarHBondContact O-N 3.08Å; G54-K58 VanDerWaalsContact O-CB 3.25Å; G54-K58 WeakPolarHBondContact O-CB 3.34Å; G54-K58 PolarHBondContact O-N 3.09Å; G54-V102 VanDerWaalsContact CA-CG1 3.45Å |
| 55 | R | 95.3 | Very high | 94 | Very high | 78 Ų | 78 | 29.9 Ų | 29.9 | 29% | 0.294 | 14% | 0.144 | S | C | . | . | H | α-helix | trans | -62 | -37.3 | 175.1 | 76.6 | -178.2 | -162.8 | -168.6 | 5.3 | 113.6 | N25 A53 A59 C240 V242 | N25-R55 PolarHBondContact ND2-NH2 3.07Å; N25-R55 VanDerWaalsContact ND2-NH2 3.12Å; N25-R55 PolarHBondContact OD1-NH2 2.81Å; A53-R55 PolarHBondContact O-N 3.17Å; R55-A59 WeakPolarHBondContact O-CB 3.43Å; R55-A59 PolarHBondContact O-N 3.45Å; R55-C240 PolarHBondContact NH1-O 3.14Å; R55-V242 VanDerWaalsContact NE-CG2 3.28Å; R55-V242 VanDerWaalsContact NH2-CG2 3.31Å |
| 56 | F | 96.3 | Very high | 93.7 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -78.5 | -39.4 | -179.1 | -65.5 | -33 | 0 | 0 | 0 | 111 | N25 L28 L46 F50 A53 G54 K58 A59 Y60 V242 | N25-F56 WeakPolarHBondContact OD1-CE1 3.39Å; L28-F56 HydrophobicContact CD2-CD1 3.92Å; L28-F56 HydrophobicContact CD2-CE1 4.01Å; L46-F56 HydrophobicContact CD1-CD1 4.29Å; L46-F56 HydrophobicContact CD1-CD2 3.8Å; L46-F56 HydrophobicContact CD1-CE1 4.24Å; L46-F56 HydrophobicContact CD1-CE2 3.76Å; L46-F56 HydrophobicContact CD1-CG 4.08Å; L46-F56 HydrophobicContact CD1-CZ 3.95Å; L46-F56 HydrophobicContact CD2-CB 3.9Å; L46-F56 HydrophobicContact CD2-CD1 3.81Å; L46-F56 HydrophobicContact CD2-CD2 4.35Å; L46-F56 HydrophobicContact CD2-CE1 4.36Å; L46-F56 HydrophobicContact CD2-CG 3.79Å; L46-F56 HydrophobicContact CG-CB 4.07Å; L46-F56 HydrophobicContact CG-CD1 4.31Å; L46-F56 HydrophobicContact CG-CD2 3.96Å; L46-F56 HydrophobicContact CG-CE2 4.42Å; L46-F56 HydrophobicContact CG-CG 3.89Å; F50-F56 HydrophobicContact CB-CD2 3.79Å; F50-F56 HydrophobicContact CB-CE2 3.98Å; F50-F56 AromaticContact CD2-CD2 3.93Å; F50-F56 HydrophobicContact CD2-CD2 3.93Å; F50-F56 AromaticContact CD2-CE2 3.49Å; F50-F56 HydrophobicContact CD2-CE2 3.49Å; F50-F56 VanDerWaalsContact CD2-CE2 3.49Å; F50-F56 HydrophobicContact CE2-CE2 4.11Å; F50-F56 HydrophobicContact CG-CD2 4.14Å; F50-F56 AromaticContact CG-CE2 3.83Å; F50-F56 HydrophobicContact CG-CE2 3.83Å; A53-F56 HydrophobicContact CB-CB 4.25Å; A53-F56 HydrophobicContact CB-CD2 3.42Å; A53-F56 VanDerWaalsContact CB-CD2 3.42Å; A53-F56 HydrophobicContact CB-CE2 4.08Å; A53-F56 HydrophobicContact CB-CG 4.05Å; A53-F56 PolarHBondContact O-N 2.99Å; G54-F56 VanDerWaalsContact C-N 3.34Å; G54-F56 PolarHBondContact O-N 3.39Å; F56-K58 VanDerWaalsContact C-N 3.34Å; F56-K58 PolarHBondContact O-N 2.96Å; F56-A59 PolarHBondContact O-N 3.35Å; F56-Y60 PolarHBondContact O-N 2.98Å; F56-V242 HydrophobicContact CD2-CG2 4.49Å; F56-V242 HydrophobicContact CE2-CG1 4.17Å; F56-V242 HydrophobicContact CE2-CG2 3.82Å; F56-V242 HydrophobicContact CZ-CG2 4.1Å |
| 57 | W | 96.4 | Very high | 93.2 | Very high | 12 Ų | 12 | 31.2 Ų | 31.2 | 5% | 0.045 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -59.4 | -44.3 | 169.5 | -73.1 | 114.1 | 0 | 0 | 0 | 112.4 | V47 P51 A53 G54 Y60 A61 V94 R97 C98 L107 | V47-W57 HydrophobicContact CB-CD2 4.02Å; V47-W57 HydrophobicContact CB-CE3 4.04Å; V47-W57 HydrophobicContact CB-CH2 3.62Å; V47-W57 HydrophobicContact CB-CZ2 3.59Å; V47-W57 HydrophobicContact CB-CZ3 3.84Å; V47-W57 HydrophobicContact CG1-CD2 3.8Å; V47-W57 HydrophobicContact CG1-CE3 3.74Å; V47-W57 HydrophobicContact CG1-CG 4.41Å; V47-W57 HydrophobicContact CG1-CH2 4.26Å; V47-W57 HydrophobicContact CG1-CZ2 4.32Å; V47-W57 HydrophobicContact CG1-CZ3 3.98Å; V47-W57 HydrophobicContact CG2-CE3 4.34Å; V47-W57 HydrophobicContact CG2-CH2 3.45Å; V47-W57 VanDerWaalsContact CG2-CH2 3.45Å; V47-W57 HydrophobicContact CG2-CZ2 3.93Å; V47-W57 HydrophobicContact CG2-CZ3 3.68Å; P51-W57 PolarHBondContact O-NE1 3.47Å; A53-W57 PolarHBondContact O-N 3.16Å; G54-W57 PolarHBondContact O-N 3.08Å; W57-Y60 HydrophobicContact CZ3-CD1 4.49Å; W57-Y60 PolarHBondContact O-N 3.03Å; W57-A61 WeakPolarHBondContact O-CB 3.22Å; W57-A61 PolarHBondContact O-N 2.89Å; W57-V94 HydrophobicContact CE3-CG1 3.71Å; W57-V94 HydrophobicContact CZ3-CG1 4.05Å; W57-R97 HydrophobicContact CH2-CB 4.3Å; W57-R97 HydrophobicContact CZ3-CB 4.4Å; W57-C98 HydrophobicContact CB-CB 4.38Å; W57-C98 HydrophobicContact CD2-CB 3.49Å; W57-C98 VanDerWaalsContact CD2-CB 3.49Å; W57-C98 HydrophobicContact CE3-CB 3.97Å; W57-C98 HydrophobicContact CG-CB 3.68Å; W57-C98 HydrophobicContact CH2-CB 4.49Å; W57-C98 HydrophobicContact CZ2-CB 4.06Å; W57-C98 HydrophobicContact CZ3-CB 4.45Å; W57-L107 HydrophobicContact CB-CD1 3.88Å; W57-L107 HydrophobicContact CB-CD2 4.24Å |
| 58 | K | 96 | Very high | 92.7 | Very high | 56 Ų | 56 | 31.5 Ų | 31.5 | 24% | 0.243 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -59.2 | -49.9 | 175.1 | 178.8 | -174.9 | 174.6 | -178 | 0 | 110.7 | G54 F56 Y60 A61 E62 D106 L107 | G54-K58 VanDerWaalsContact O-CB 3.25Å; G54-K58 WeakPolarHBondContact O-CB 3.34Å; G54-K58 PolarHBondContact O-N 3.09Å; F56-K58 VanDerWaalsContact C-N 3.34Å; F56-K58 PolarHBondContact O-N 2.96Å; K58-Y60 VanDerWaalsContact C-N 3.27Å; K58-Y60 PolarHBondContact O-N 3.19Å; K58-A61 PolarHBondContact O-N 2.98Å; K58-E62 WeakPolarHBondContact CE-OE1 3.43Å; K58-E62 HydrophobicContact CG-CG 4.26Å; K58-E62 WeakPolarHBondContact CG-OE1 3.4Å; K58-E62 WeakPolarHBondContact O-CB 3.49Å; K58-E62 VanDerWaalsContact O-CG 3.31Å; K58-E62 WeakPolarHBondContact O-CG 3.44Å; K58-E62 PolarHBondContact O-N 2.94Å; K58-D106 HydrophobicContact CD-CB 4.04Å; K58-L107 HydrophobicContact CB-CD1 4Å |
| 59 | A | 95.8 | Very high | 92.2 | Very high | 9 Ų | 9 | 26.4 Ų | 26.4 | 7% | 0.074 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -58.9 | -39.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | L28 Y43 R55 F56 H63 | L28-A59 HydrophobicContact CD1-CB 4.41Å; L28-A59 HydrophobicContact CD2-CB 4.35Å; Y43-A59 HydrophobicContact CE1-CB 4.35Å; R55-A59 WeakPolarHBondContact O-CB 3.43Å; R55-A59 PolarHBondContact O-N 3.45Å; F56-A59 PolarHBondContact O-N 3.35Å; A59-H63 WeakPolarHBondContact O-CB 3.24Å; A59-H63 PolarHBondContact O-N 3.4Å |
| 60 | Y | 95.7 | Very high | 91.8 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -66.7 | -52.4 | 176.1 | -172.1 | -169.5 | 0 | 0 | 0 | 111.7 | I36 Y43 E44 V47 F56 W57 K58 E62 H63 E64 N89 V94 | I36-Y60 HydrophobicContact CD1-CD2 4.5Å; I36-Y60 HydrophobicContact CD1-CE2 4.36Å; Y43-Y60 AromaticContact CD1-CD2 3.94Å; Y43-Y60 HydrophobicContact CD1-CD2 3.94Å; Y43-Y60 AromaticContact CD1-CG 3.79Å; Y43-Y60 HydrophobicContact CD1-CG 3.79Å; Y43-Y60 AromaticContact CD2-CD2 3.84Å; Y43-Y60 HydrophobicContact CD2-CD2 3.84Å; Y43-Y60 HydrophobicContact CD2-CE2 4.21Å; Y43-Y60 HydrophobicContact CG-CD1 4.43Å; Y43-Y60 AromaticContact CG-CD2 3.51Å; Y43-Y60 HydrophobicContact CG-CD2 3.51Å; Y43-Y60 HydrophobicContact CG-CE2 4.04Å; Y43-Y60 AromaticContact CG-CG 3.75Å; Y43-Y60 HydrophobicContact CG-CG 3.75Å; E44-Y60 WeakPolarHBondContact OE1-CE1 3.35Å; E44-Y60 PolarHBondContact OE1-OH 3.43Å; V47-Y60 HydrophobicContact CG1-CD1 4.2Å; F56-Y60 PolarHBondContact O-N 2.98Å; W57-Y60 HydrophobicContact CZ3-CD1 4.49Å; W57-Y60 PolarHBondContact O-N 3.03Å; K58-Y60 VanDerWaalsContact C-N 3.27Å; K58-Y60 PolarHBondContact O-N 3.19Å; Y60-E62 VanDerWaalsContact C-N 3.32Å; Y60-E62 PolarHBondContact O-N 3.28Å; Y60-H63 PolarHBondContact O-N 2.94Å; Y60-E64 HydrophobicContact CD2-CG 4.02Å; Y60-E64 HydrophobicContact CE2-CG 3.75Å; Y60-E64 PolarHBondContact O-N 2.82Å; Y60-N89 WeakPolarHBondContact OH-CB 3.46Å; Y60-N89 VanDerWaalsContact OH-CG 3.25Å; Y60-N89 PolarHBondContact OH-ND2 3.41Å; Y60-V94 HydrophobicContact CD1-CG1 3.77Å; Y60-V94 HydrophobicContact CD1-CG2 4.14Å; Y60-V94 HydrophobicContact CE1-CG1 4.36Å; Y60-V94 HydrophobicContact CE1-CG2 4.01Å; Y60-V94 HydrophobicContact CE2-CG2 4.48Å; Y60-V94 HydrophobicContact CG-CG1 4.12Å; Y60-V94 HydrophobicContact CG-CG2 4.46Å |
| 61 | A | 93.2 | Very high | 91 | Very high | 1 Ų | 1 | 32.8 Ų | 32.8 | 1% | 0.008 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -61.6 | -39.1 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | W57 K58 R65 V94 F95 | W57-A61 WeakPolarHBondContact O-CB 3.22Å; W57-A61 PolarHBondContact O-N 2.89Å; K58-A61 PolarHBondContact O-N 2.98Å; A61-R65 VanDerWaalsContact O-CB 3.26Å; A61-R65 WeakPolarHBondContact O-CB 3.18Å; A61-R65 PolarHBondContact O-N 2.87Å; A61-V94 HydrophobicContact CB-CB 4.36Å; A61-V94 HydrophobicContact CB-CG1 4.01Å; A61-F95 HydrophobicContact CB-CD1 4.44Å; A61-F95 HydrophobicContact CB-CD2 4.39Å; A61-F95 HydrophobicContact CB-CE1 3.91Å; A61-F95 HydrophobicContact CB-CE2 3.85Å; A61-F95 HydrophobicContact CB-CZ 3.58Å |
| 62 | E | 94.2 | Very high | 90.5 | Very high | 64 Ų | 64 | 32.3 Ų | 32.3 | 30% | 0.299 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -69.5 | -34.1 | 177.9 | -73.4 | 178.9 | 170.4 | 0 | 0 | 113 | K58 Y60 T66 S110 | K58-E62 WeakPolarHBondContact CE-OE1 3.43Å; K58-E62 HydrophobicContact CG-CG 4.26Å; K58-E62 WeakPolarHBondContact CG-OE1 3.4Å; K58-E62 WeakPolarHBondContact O-CB 3.49Å; K58-E62 VanDerWaalsContact O-CG 3.31Å; K58-E62 WeakPolarHBondContact O-CG 3.44Å; K58-E62 PolarHBondContact O-N 2.94Å; Y60-E62 VanDerWaalsContact C-N 3.32Å; Y60-E62 PolarHBondContact O-N 3.28Å; E62-T66 WeakPolarHBondContact O-CB 3.5Å; E62-T66 PolarHBondContact O-N 2.83Å; E62-T66 PolarHBondContact O-OG1 2.52Å; E62-S110 WeakPolarHBondContact CG-OG 3.47Å; E62-S110 WeakPolarHBondContact OE1-CB 3.29Å; E62-S110 PolarHBondContact OE1-OG 3.26Å |
| 63 | H | 93.7 | Very high | 90 | Very high | 26 Ų | 26 | 36 Ų | 36 | 12% | 0.12 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -69.5 | -47.3 | 175.5 | -162.1 | 167.6 | 0 | 0 | 0 | 110.8 | K34 I36 Y43 A59 Y60 R65 T66 A67 | K34-H63 PolarHBondContact O-CE1 3.07Å; K34-H63 VanDerWaalsContact O-CE1 3.31Å; K34-H63 PolarHBondContact O-NE2 3.33Å; I36-H63 HydrophobicContact CD1-CB 4.13Å; Y43-H63 HydrophobicContact CE2-CB 4.29Å; Y43-H63 AromaticContact CE2-ND1 3.41Å; Y43-H63 WeakPolarHBondContact CE2-ND1 3.42Å; Y43-H63 AromaticContact CZ-ND1 3.61Å; Y43-H63 PolarHBondContact OH-ND1 3.15Å; A59-H63 WeakPolarHBondContact O-CB 3.24Å; A59-H63 PolarHBondContact O-N 3.4Å; Y60-H63 PolarHBondContact O-N 2.94Å; H63-R65 VanDerWaalsContact C-N 3.31Å; H63-R65 PolarHBondContact O-N 3.12Å; H63-T66 PolarHBondContact O-N 2.9Å; H63-A67 PolarHBondContact O-N 2.88Å |
| 64 | E | 90.6 | Very high | 89.5 | Confident | 4 Ų | 4 | 45 Ų | 45 | 2% | 0.019 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -59.2 | -42.2 | 173.4 | -74.7 | -72.6 | -179.8 | 0 | 0 | 111.3 | I36 R40 Y60 T66 A67 D68 N89 P91 | I36-E64 HydrophobicContact CD1-CG 4.18Å; I36-E64 HydrophobicContact CG1-CG 3.93Å; I36-E64 VanDerWaalsContact CG1-OE1 3.28Å; I36-E64 WeakPolarHBondContact CG1-OE1 3.38Å; R40-E64 WeakPolarHBondContact CG-OE1 3.3Å; R40-E64 IonicContact CZ-OE1 2.87Å; R40-E64 IonicContact CZ-OE2 3.01Å; R40-E64 IonicContact NE-OE1 3.43Å; R40-E64 PolarHBondContact NE-OE1 3.22Å; R40-E64 IonicContact NE-OE2 3.73Å; R40-E64 IonicContact NH2-OE1 3.46Å; R40-E64 PolarHBondContact NH2-OE1 3.45Å; R40-E64 IonicContact NH2-OE2 3.43Å; R40-E64 PolarHBondContact NH2-OE2 3.5Å; R40-E64 VanDerWaalsContact NH2-OE2 3.13Å; Y60-E64 HydrophobicContact CD2-CG 4.02Å; Y60-E64 HydrophobicContact CE2-CG 3.75Å; Y60-E64 PolarHBondContact O-N 2.82Å; E64-T66 VanDerWaalsContact C-N 3.35Å; E64-T66 PolarHBondContact O-N 3.45Å; E64-A67 PolarHBondContact O-N 3.15Å; E64-D68 WeakPolarHBondContact O-CB 3.29Å; E64-D68 PolarHBondContact O-N 3.04Å; E64-N89 WeakPolarHBondContact CG-O 3.42Å; E64-P91 HydrophobicContact CB-CB 4.49Å; E64-P91 HydrophobicContact CB-CG 3.83Å |
| 65 | R | 87.8 | Confident | 88.9 | Confident | 54 Ų | 54 | 51.8 Ų | 51.8 | 20% | 0.204 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -62.2 | -41.7 | 177 | -174.3 | -166.2 | 67.7 | 71.5 | 5.8 | 111.9 | A61 H63 A67 D68 T69 P91 F114 | A61-R65 VanDerWaalsContact O-CB 3.26Å; A61-R65 WeakPolarHBondContact O-CB 3.18Å; A61-R65 PolarHBondContact O-N 2.87Å; H63-R65 VanDerWaalsContact C-N 3.31Å; H63-R65 PolarHBondContact O-N 3.12Å; R65-A67 VanDerWaalsContact C-N 3.34Å; R65-D68 PolarHBondContact O-N 3.24Å; R65-T69 WeakPolarHBondContact O-CB 3.41Å; R65-T69 PolarHBondContact O-N 3.42Å; R65-T69 PolarHBondContact O-OG1 3.43Å; R65-P91 HydrophobicContact CB-CB 4.4Å; R65-P91 HydrophobicContact CB-CG 4.19Å; R65-F114 HydrophobicContact CG-CD2 4.02Å |
| 66 | T | 88.9 | Confident | 88 | Confident | 52 Ų | 52 | 49.7 Ų | 49.7 | 32% | 0.319 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -65.2 | -40.9 | 179.1 | -59.8 | 0 | 0 | 0 | 0 | 110.9 | E62 H63 E64 T69 K70 | E62-T66 WeakPolarHBondContact O-CB 3.5Å; E62-T66 PolarHBondContact O-N 2.83Å; E62-T66 PolarHBondContact O-OG1 2.52Å; H63-T66 PolarHBondContact O-N 2.9Å; E64-T66 VanDerWaalsContact C-N 3.35Å; E64-T66 PolarHBondContact O-N 3.45Å; T66-T69 PolarHBondContact O-N 3.16Å; T66-K70 HydrophobicContact CG2-CD 4.47Å; T66-K70 WeakPolarHBondContact O-CB 3.25Å; T66-K70 WeakPolarHBondContact O-CG 3.42Å; T66-K70 PolarHBondContact O-N 2.95Å |
| 67 | A | 85.6 | Confident | 86.9 | Confident | 17 Ų | 17 | 54.7 Ų | 54.7 | 14% | 0.14 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -65.7 | -42.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | I36 H63 E64 R65 K70 W71 | I36-A67 HydrophobicContact CB-CB 4.16Å; I36-A67 HydrophobicContact CG2-CB 3.31Å; H63-A67 PolarHBondContact O-N 2.88Å; E64-A67 PolarHBondContact O-N 3.15Å; R65-A67 VanDerWaalsContact C-N 3.34Å; A67-K70 PolarHBondContact O-N 2.83Å; A67-W71 WeakPolarHBondContact O-CB 3.26Å; A67-W71 PolarHBondContact O-N 3.09Å |
| 68 | D | 83.1 | Confident | 85.8 | Confident | 8 Ų | 8 | 62.4 Ų | 62.4 | 4% | 0.043 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -63.7 | -42.4 | 176.1 | -177 | 53.5 | 0 | 0 | 0 | 112.2 | E64 R65 K70 W71 A72 S80 R84 | E64-D68 WeakPolarHBondContact O-CB 3.29Å; E64-D68 PolarHBondContact O-N 3.04Å; R65-D68 PolarHBondContact O-N 3.24Å; D68-K70 PolarHBondContact O-N 3.19Å; D68-W71 PolarHBondContact O-N 2.98Å; D68-A72 WeakPolarHBondContact O-CB 3.32Å; D68-A72 PolarHBondContact O-N 3.05Å; D68-S80 PolarHBondContact OD1-OG 3.21Å; D68-R84 IonicContact OD1-NE 2.67Å; D68-R84 IonicContact OD2-CZ 2.67Å; D68-R84 IonicContact OD2-NE 3.11Å; D68-R84 PolarHBondContact OD2-NE 3Å; D68-R84 IonicContact OD2-NH2 2.77Å; D68-R84 PolarHBondContact OD2-NH2 3.34Å |
| 69 | T | 83 | Confident | 84.7 | Confident | 68 Ų | 68 | 61.9 Ų | 61.9 | 42% | 0.417 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -61.3 | -47.4 | 175.6 | -52.1 | 0 | 0 | 0 | 0 | 111.2 | R65 T66 W71 A72 A73 | R65-T69 WeakPolarHBondContact O-CB 3.41Å; R65-T69 PolarHBondContact O-N 3.42Å; R65-T69 PolarHBondContact O-OG1 3.43Å; T66-T69 PolarHBondContact O-N 3.16Å; T69-W71 VanDerWaalsContact C-N 3.26Å; T69-W71 PolarHBondContact O-N 2.94Å; T69-A72 PolarHBondContact O-N 3.22Å; T69-A73 PolarHBondContact O-N 2.77Å |
| 70 | K | 85.1 | Confident | 83.4 | Confident | 122 Ų | 122 | 61.5 Ų | 61.5 | 53% | 0.53 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -62.2 | -34.2 | 176.2 | -75.6 | 177.8 | -179.4 | 178.6 | 0 | 112.3 | T66 A67 D68 R74 | T66-K70 HydrophobicContact CG2-CD 4.47Å; T66-K70 WeakPolarHBondContact O-CB 3.25Å; T66-K70 WeakPolarHBondContact O-CG 3.42Å; T66-K70 PolarHBondContact O-N 2.95Å; A67-K70 PolarHBondContact O-N 2.83Å; D68-K70 PolarHBondContact O-N 3.19Å; K70-R74 WeakPolarHBondContact O-CG 3.26Å; K70-R74 PolarHBondContact O-N 3Å |
| 71 | W | 77.8 | Confident | 82.2 | Confident | 62 Ų | 62 | 65.2 Ų | 65.2 | 24% | 0.235 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -75.9 | -43.2 | -179.9 | -170.3 | 100.5 | 0 | 0 | 0 | 111 | A67 D68 T69 A73 R74 K75 S79 R83 | A67-W71 WeakPolarHBondContact O-CB 3.26Å; A67-W71 PolarHBondContact O-N 3.09Å; D68-W71 PolarHBondContact O-N 2.98Å; T69-W71 VanDerWaalsContact C-N 3.26Å; T69-W71 PolarHBondContact O-N 2.94Å; W71-A73 VanDerWaalsContact C-N 3.27Å; W71-A73 PolarHBondContact O-N 2.87Å; W71-R74 PolarHBondContact O-N 3.39Å; W71-K75 HydrophobicContact CD2-CB 4.2Å; W71-K75 HydrophobicContact CD2-CG 4.45Å; W71-K75 HydrophobicContact CE3-CB 4.08Å; W71-K75 HydrophobicContact CH2-CB 3.94Å; W71-K75 HydrophobicContact CZ2-CB 4.08Å; W71-K75 HydrophobicContact CZ2-CG 4.28Å; W71-K75 HydrophobicContact CZ3-CB 3.79Å; W71-K75 PolarHBondContact O-N 2.85Å; W71-S79 WeakPolarHBondContact CH2-O 3.46Å; W71-S79 WeakPolarHBondContact CH2-OG 3.4Å; W71-S79 WeakPolarHBondContact CZ3-O 3.41Å; W71-R83 HydrophobicContact CH2-CB 4.1Å; W71-R83 HydrophobicContact CZ2-CB 4.17Å |
| 72 | A | 80.7 | Confident | 81.2 | Confident | 24 Ų | 24 | 71.9 Ų | 71.9 | 20% | 0.198 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -61.1 | -36.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | D68 T69 R74 G76 | D68-A72 WeakPolarHBondContact O-CB 3.32Å; D68-A72 PolarHBondContact O-N 3.05Å; T69-A72 PolarHBondContact O-N 3.22Å; A72-R74 VanDerWaalsContact C-N 3.31Å; A72-R74 PolarHBondContact O-N 2.91Å; A72-G76 CarbonylContact O-C 3.56Å; A72-G76 WeakPolarHBondContact O-CA 3.39Å; A72-G76 PolarHBondContact O-N 3.3Å |
| 73 | A | 81.9 | Confident | 80.1 | Confident | 90 Ų | 90 | 70.6 Ų | 70.6 | 74% | 0.744 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -64.3 | -31.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | T69 W71 | T69-A73 PolarHBondContact O-N 2.77Å; W71-A73 VanDerWaalsContact C-N 3.27Å; W71-A73 PolarHBondContact O-N 2.87Å |
| 74 | R | 83.9 | Confident | 79 | Confident | 195 Ų | 195 | 71.6 Ų | 71.6 | 74% | 0.736 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -91.2 | -38.4 | -177.4 | -72.2 | -177.3 | -176.5 | 114.9 | -4.2 | 114.6 | K70 W71 A72 | K70-R74 WeakPolarHBondContact O-CG 3.26Å; K70-R74 PolarHBondContact O-N 3Å; W71-R74 PolarHBondContact O-N 3.39Å; A72-R74 VanDerWaalsContact C-N 3.31Å; A72-R74 PolarHBondContact O-N 2.91Å |
| 75 | K | 81.4 | Confident | 77.9 | Confident | 146 Ų | 146 | 80 Ų | 80 | 64% | 0.635 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -113.1 | 1.2 | -172 | -67.6 | -66 | -173.8 | 179.2 | 0 | 113.2 | W71 S79 | W71-K75 HydrophobicContact CD2-CB 4.2Å; W71-K75 HydrophobicContact CD2-CG 4.45Å; W71-K75 HydrophobicContact CE3-CB 4.08Å; W71-K75 HydrophobicContact CH2-CB 3.94Å; W71-K75 HydrophobicContact CZ2-CB 4.08Å; W71-K75 HydrophobicContact CZ2-CG 4.28Å; W71-K75 HydrophobicContact CZ3-CB 3.79Å; W71-K75 PolarHBondContact O-N 2.85Å; K75-S79 VanDerWaalsContact O-CB 3.29Å; K75-S79 WeakPolarHBondContact O-CB 3.47Å |
| 76 | G | 77.7 | Confident | 76.8 | Confident | 34 Ų | 34 | 84.1 Ų | 84.1 | 35% | 0.351 | 41% | 0.411 | S | S | . | . | trans | 84.5 | 162 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | A72 S80 | A72-G76 CarbonylContact O-C 3.56Å; A72-G76 WeakPolarHBondContact O-CA 3.39Å; A72-G76 PolarHBondContact O-N 3.3Å; G76-S80 PolarHBondContact O-N 3.03Å | ||
| 77 | Y | 72.2 | Confident | 75.6 | Confident | 105 Ų | 105 | 84 Ų | 84 | 41% | 0.412 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -65.8 | -41.7 | -174.2 | -177.1 | -104.9 | 0 | 0 | 0 | 113.5 | S79 S80 I81 T118 | Y77-S79 VanDerWaalsContact C-N 3.33Å; Y77-S79 PolarHBondContact O-N 3.32Å; Y77-S80 WeakPolarHBondContact O-CB 3.38Å; Y77-S80 PolarHBondContact O-N 2.92Å; Y77-I81 HydrophobicContact CD1-CD1 3.92Å; Y77-I81 HydrophobicContact CE1-CD1 3.49Å; Y77-I81 VanDerWaalsContact CE1-CD1 3.49Å; Y77-I81 HydrophobicContact CE1-CG1 4.33Å; Y77-I81 PolarHBondContact O-N 2.92Å; Y77-T118 PolarHBondContact OH-O 3.32Å |
| 78 | F | 73.2 | Confident | 74.5 | Confident | 173 Ų | 173 | 93.2 Ų | 93.2 | 76% | 0.759 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -61.7 | -42.9 | -178.9 | -173.9 | -94.7 | 0 | 0 | 0 | 112.1 | S80 I81 F82 | F78-S80 PolarHBondContact O-N 2.92Å; F78-I81 WeakPolarHBondContact O-CB 3.45Å; F78-I81 PolarHBondContact O-N 2.94Å; F78-F82 PolarHBondContact O-N 3.45Å |
| 79 | S | 73.5 | Confident | 73.9 | Confident | 46 Ų | 46 | 94.2 Ų | 94.2 | 32% | 0.322 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -59.9 | -33.9 | 177.1 | -150.6 | 0 | 0 | 0 | 0 | 109.4 | W71 K75 Y77 F82 R83 | W71-S79 WeakPolarHBondContact CH2-O 3.46Å; W71-S79 WeakPolarHBondContact CH2-OG 3.4Å; W71-S79 WeakPolarHBondContact CZ3-O 3.41Å; K75-S79 VanDerWaalsContact O-CB 3.29Å; K75-S79 WeakPolarHBondContact O-CB 3.47Å; Y77-S79 VanDerWaalsContact C-N 3.33Å; Y77-S79 PolarHBondContact O-N 3.32Å; S79-F82 WeakPolarHBondContact O-CB 3.43Å; S79-F82 PolarHBondContact O-N 2.97Å; S79-R83 PolarHBondContact O-N 3.5Å |
| 80 | S | 69.3 | Low | 73.7 | Confident | 0 Ų | 0 | 91.3 Ų | 91.3 | 0% | 0 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -75.3 | -34.4 | -173.1 | 161.4 | 0 | 0 | 0 | 0 | 109.9 | D68 G76 Y77 F78 R83 R84 | D68-S80 PolarHBondContact OD1-OG 3.21Å; G76-S80 PolarHBondContact O-N 3.03Å; Y77-S80 WeakPolarHBondContact O-CB 3.38Å; Y77-S80 PolarHBondContact O-N 2.92Å; F78-S80 PolarHBondContact O-N 2.92Å; S80-R83 PolarHBondContact O-N 3.39Å; S80-R84 VanDerWaalsContact O-CG 3.27Å; S80-R84 WeakPolarHBondContact O-CG 3.44Å; S80-R84 PolarHBondContact O-N 3.46Å |
| 81 | I | 70.4 | Confident | 73.4 | Confident | 78 Ų | 78 | 85.7 Ų | 85.7 | 40% | 0.4 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -59.2 | -49.5 | 170.1 | -66.6 | 167.8 | 0 | 0 | 0 | 110.4 | Y77 F78 R83 R84 F85 | Y77-I81 HydrophobicContact CD1-CD1 3.92Å; Y77-I81 HydrophobicContact CE1-CD1 3.49Å; Y77-I81 VanDerWaalsContact CE1-CD1 3.49Å; Y77-I81 HydrophobicContact CE1-CG1 4.33Å; Y77-I81 PolarHBondContact O-N 2.92Å; F78-I81 WeakPolarHBondContact O-CB 3.45Å; F78-I81 PolarHBondContact O-N 2.94Å; I81-R83 VanDerWaalsContact C-N 3.34Å; I81-R83 PolarHBondContact O-N 2.92Å; I81-R84 PolarHBondContact O-N 2.83Å; I81-F85 PolarHBondContact O-N 2.93Å; I81-F85 VanDerWaalsContact O-N 3.11Å |
| 82 | F | 70.6 | Confident | 73.6 | Confident | 142 Ų | 142 | 85.8 Ų | 85.8 | 62% | 0.623 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -59.7 | -44.9 | 177.7 | -170.9 | -96.5 | 0 | 0 | 0 | 111.5 | F78 S79 R84 F85 Q86 | F78-F82 PolarHBondContact O-N 3.45Å; S79-F82 WeakPolarHBondContact O-CB 3.43Å; S79-F82 PolarHBondContact O-N 2.97Å; F82-R84 VanDerWaalsContact C-N 3.31Å; F82-R84 PolarHBondContact O-N 2.73Å; F82-F85 PolarHBondContact O-N 3.31Å; F82-Q86 PolarHBondContact O-N 3.04Å; F82-Q86 VanDerWaalsContact O-N 3.13Å |
| 83 | R | 71.1 | Confident | 73.9 | Confident | 37 Ų | 37 | 87.2 Ų | 87.2 | 14% | 0.14 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -58.2 | -40 | 175.7 | -173.8 | -178.8 | -174.3 | -146.1 | 1.5 | 112.7 | E37 W71 S79 S80 I81 Q86 L87 | E37-R83 IonicContact OE1-CZ 2.98Å; E37-R83 IonicContact OE1-NH2 3.84Å; E37-R83 PolarHBondContact OE1-NH2 3.03Å; W71-R83 HydrophobicContact CH2-CB 4.1Å; W71-R83 HydrophobicContact CZ2-CB 4.17Å; S79-R83 PolarHBondContact O-N 3.5Å; S80-R83 PolarHBondContact O-N 3.39Å; I81-R83 VanDerWaalsContact C-N 3.34Å; I81-R83 PolarHBondContact O-N 2.92Å; R83-Q86 PolarHBondContact O-N 3.27Å; R83-L87 HydrophobicContact CG-CD1 3.7Å; R83-L87 HydrophobicContact CG-CG 4.31Å; R83-L87 WeakPolarHBondContact O-CB 3.5Å; R83-L87 WeakPolarHBondContact O-CG 3.46Å; R83-L87 PolarHBondContact O-N 3.33Å; R83-L87 VanDerWaalsContact O-N 3.09Å |
| 84 | R | 71.7 | Confident | 74.2 | Confident | 46 Ų | 46 | 83 Ų | 83 | 17% | 0.174 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -69.2 | -33 | 178.3 | -73.2 | 168.3 | -178 | 178.2 | -5.1 | 113 | D68 S80 I81 F82 | D68-R84 IonicContact OD1-NE 2.67Å; D68-R84 IonicContact OD2-CZ 2.67Å; D68-R84 IonicContact OD2-NE 3.11Å; D68-R84 PolarHBondContact OD2-NE 3Å; D68-R84 IonicContact OD2-NH2 2.77Å; D68-R84 PolarHBondContact OD2-NH2 3.34Å; S80-R84 VanDerWaalsContact O-CG 3.27Å; S80-R84 WeakPolarHBondContact O-CG 3.44Å; S80-R84 PolarHBondContact O-N 3.46Å; I81-R84 PolarHBondContact O-N 2.83Å; F82-R84 VanDerWaalsContact C-N 3.31Å; F82-R84 PolarHBondContact O-N 2.73Å |
| 85 | F | 67.5 | Low | 74.6 | Confident | 182 Ų | 182 | 73.8 Ų | 73.8 | 80% | 0.798 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -69.4 | -37.7 | 175.6 | -166.7 | -99.1 | 0 | 0 | 0 | 111.3 | I81 F82 | I81-F85 PolarHBondContact O-N 2.93Å; I81-F85 VanDerWaalsContact O-N 3.11Å; F82-F85 PolarHBondContact O-N 3.31Å |
| 86 | Q | 65.1 | Low | 75.1 | Confident | 140 Ų | 140 | 73 Ų | 73 | 65% | 0.654 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -77.7 | -30.4 | -178.9 | -164.7 | 66.1 | 9.7 | 0 | 0 | 114.2 | F82 R83 | F82-Q86 PolarHBondContact O-N 3.04Å; F82-Q86 VanDerWaalsContact O-N 3.13Å; R83-Q86 PolarHBondContact O-N 3.27Å |
| 87 | L | 63.7 | Low | 75.7 | Confident | 48 Ų | 48 | 76.3 Ų | 76.3 | 25% | 0.251 | 34% | 0.341 | S | S | . | . | trans | -89.9 | 120 | -174.5 | -70.7 | 176.9 | 0 | 0 | 0 | 112.5 | R83 N89 S90 Q93 | R83-L87 HydrophobicContact CG-CD1 3.7Å; R83-L87 HydrophobicContact CG-CG 4.31Å; R83-L87 WeakPolarHBondContact O-CB 3.5Å; R83-L87 WeakPolarHBondContact O-CG 3.46Å; R83-L87 PolarHBondContact O-N 3.33Å; R83-L87 VanDerWaalsContact O-N 3.09Å; L87-N89 PolarHBondContact O-N 3.31Å; L87-S90 PolarHBondContact O-N 3.4Å; L87-Q93 PolarHBondContact O-NE2 3.06Å; L87-Q93 PolarHBondContact O-OE1 2.64Å | ||
| 88 | R | 62.3 | Low | 76.6 | Confident | 211 Ų | 211 | 71.5 Ų | 71.5 | 80% | 0.796 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | -16.6 | 169 | -171.5 | 176.2 | 172.6 | -153.2 | -1.6 | 114.4 | Q93 | R88-Q93 PolarHBondContact O-OE1 3.09Š|
| 89 | N | 69.9 | Low | 77.5 | Confident | 30 Ų | 30 | 63.8 Ų | 63.8 | 16% | 0.16 | 29% | 0.289 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -118.3 | 26.9 | -174.9 | -61.9 | -28.6 | 0 | 0 | 0 | 112.6 | E44 Y60 E64 L87 | E44-N89 PolarHBondContact OE1-OD1 3.19Å; Y60-N89 WeakPolarHBondContact OH-CB 3.46Å; Y60-N89 VanDerWaalsContact OH-CG 3.25Å; Y60-N89 PolarHBondContact OH-ND2 3.41Å; E64-N89 WeakPolarHBondContact CG-O 3.42Å; L87-N89 PolarHBondContact O-N 3.31Å |
| 90 | S | 78 | Confident | 78.2 | Confident | 7 Ų | 7 | 67 Ų | 67 | 5% | 0.049 | 30% | 0.302 | C | S | . | . | trans | -56.9 | 151 | 171.6 | 70.9 | 0 | 0 | 0 | 0 | 110.6 | L87 L92 Q93 V94 | L87-S90 PolarHBondContact O-N 3.4Å; S90-L92 PolarHBondContact O-N 2.81Å; S90-L92 VanDerWaalsContact O-N 3.09Å; S90-Q93 PolarHBondContact O-N 3.48Å; S90-Q93 WeakPolarHBondContact OG-CG 3.17Å; S90-Q93 PolarHBondContact OG-N 3.38Å; S90-Q93 PolarHBondContact OG-NE2 3.22Å; S90-V94 PolarHBondContact O-N 3.05Å | ||
| 91 | P | 79.1 | Confident | 79.1 | Confident | 3 Ų | 3 | 71.9 Ų | 71.9 | 2% | 0.019 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -54 | -37.4 | -177.9 | -23.6 | 29.7 | 0 | 0 | 0 | 112.8 | E64 R65 Q93 V94 F95 F114 | E64-P91 HydrophobicContact CB-CB 4.49Å; E64-P91 HydrophobicContact CB-CG 3.83Å; R65-P91 HydrophobicContact CB-CB 4.4Å; R65-P91 HydrophobicContact CB-CG 4.19Å; P91-Q93 PolarHBondContact O-N 3.01Å; P91-V94 PolarHBondContact O-N 3.31Å; P91-F95 WeakPolarHBondContact O-CD2 3.3Å; P91-F95 PolarHBondContact O-N 3.3Å; P91-F114 HydrophobicContact CB-CD2 4.03Å; P91-F114 HydrophobicContact CB-CE2 3.61Å; P91-F114 HydrophobicContact CB-CZ 3.93Å; P91-F114 HydrophobicContact CG-CE2 4.04Å |
| 92 | L | 83.4 | Confident | 80.3 | Confident | 64 Ų | 64 | 68.3 Ų | 68.3 | 34% | 0.335 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -61.6 | -42.6 | 176.2 | -178.5 | 62.1 | 0 | 0 | 0 | 112.1 | S90 F95 Q96 F114 | S90-L92 PolarHBondContact O-N 2.81Å; S90-L92 VanDerWaalsContact O-N 3.09Å; L92-F95 PolarHBondContact O-N 2.84Å; L92-Q96 HydrophobicContact CG-CG 4.5Å; L92-Q96 WeakPolarHBondContact O-CB 3.32Å; L92-Q96 VanDerWaalsContact O-CG 3.32Å; L92-Q96 WeakPolarHBondContact O-CG 3.49Å; L92-Q96 PolarHBondContact O-N 3.28Å; L92-F114 HydrophobicContact CB-CE1 3.88Å; L92-F114 HydrophobicContact CB-CZ 4.05Å; L92-F114 HydrophobicContact CD1-CE1 4.14Å |
| 93 | Q | 85.9 | Confident | 81.5 | Confident | 55 Ų | 55 | 62.1 Ų | 62.1 | 26% | 0.257 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -69.3 | -34.4 | 178.4 | -70.9 | 172.8 | 44 | 0 | 0 | 111.8 | L87 R88 S90 P91 Q96 R97 | L87-Q93 PolarHBondContact O-NE2 3.06Å; L87-Q93 PolarHBondContact O-OE1 2.64Å; R88-Q93 PolarHBondContact O-OE1 3.09Å; S90-Q93 PolarHBondContact O-N 3.48Å; S90-Q93 WeakPolarHBondContact OG-CG 3.17Å; S90-Q93 PolarHBondContact OG-N 3.38Å; S90-Q93 PolarHBondContact OG-NE2 3.22Å; P91-Q93 PolarHBondContact O-N 3.01Å; Q93-Q96 PolarHBondContact O-N 2.76Å; Q93-R97 WeakPolarHBondContact O-CD 3.41Å; Q93-R97 VanDerWaalsContact O-CG 3.23Å; Q93-R97 WeakPolarHBondContact O-CG 3.44Å; Q93-R97 PolarHBondContact O-N 2.69Å; Q93-R97 VanDerWaalsContact O-N 3.11Å |
| 94 | V | 89 | Confident | 82.7 | Confident | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -61.9 | -44.4 | 171.7 | -177.5 | 0 | 0 | 0 | 0 | 110.7 | W57 Y60 A61 S90 P91 R97 C98 | W57-V94 HydrophobicContact CE3-CG1 3.71Å; W57-V94 HydrophobicContact CZ3-CG1 4.05Å; Y60-V94 HydrophobicContact CD1-CG1 3.77Å; Y60-V94 HydrophobicContact CD1-CG2 4.14Å; Y60-V94 HydrophobicContact CE1-CG1 4.36Å; Y60-V94 HydrophobicContact CE1-CG2 4.01Å; Y60-V94 HydrophobicContact CE2-CG2 4.48Å; Y60-V94 HydrophobicContact CG-CG1 4.12Å; Y60-V94 HydrophobicContact CG-CG2 4.46Å; A61-V94 HydrophobicContact CB-CB 4.36Å; A61-V94 HydrophobicContact CB-CG1 4.01Å; S90-V94 PolarHBondContact O-N 3.05Å; P91-V94 PolarHBondContact O-N 3.31Å; V94-R97 PolarHBondContact O-N 2.73Å; V94-C98 PolarHBondContact O-SG 2.74Å |
| 95 | F | 92.7 | Very high | 83.9 | Confident | 3 Ų | 3 | 59.9 Ų | 59.9 | 1% | 0.013 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -64.9 | -45.7 | 174.6 | -72.3 | -63.1 | 0 | 0 | 0 | 112.3 | A61 P91 L92 R97 C98 L99 L107 Y111 F114 | A61-F95 HydrophobicContact CB-CD1 4.44Å; A61-F95 HydrophobicContact CB-CD2 4.39Å; A61-F95 HydrophobicContact CB-CE1 3.91Å; A61-F95 HydrophobicContact CB-CE2 3.85Å; A61-F95 HydrophobicContact CB-CZ 3.58Å; P91-F95 WeakPolarHBondContact O-CD2 3.3Å; P91-F95 PolarHBondContact O-N 3.3Å; L92-F95 PolarHBondContact O-N 2.84Å; F95-R97 PolarHBondContact O-N 2.84Å; F95-R97 VanDerWaalsContact O-N 3.16Å; F95-C98 PolarHBondContact O-N 3.3Å; F95-C98 VanDerWaalsContact O-N 3.08Å; F95-L99 HydrophobicContact CD1-CD1 4.47Å; F95-L99 WeakPolarHBondContact O-CB 3.33Å; F95-L99 PolarHBondContact O-N 2.97Å; F95-L107 HydrophobicContact CD1-CD1 4.14Å; F95-L107 HydrophobicContact CE1-CD1 3.84Å; F95-Y111 HydrophobicContact CB-CD2 3.92Å; F95-Y111 HydrophobicContact CB-CE2 4.35Å; F95-Y111 HydrophobicContact CD1-CD2 4.06Å; F95-Y111 HydrophobicContact CD1-CG 4.33Å; F95-Y111 AromaticContact CD2-CD2 3.8Å; F95-Y111 HydrophobicContact CD2-CD2 3.8Å; F95-Y111 HydrophobicContact CE2-CD2 4.31Å; F95-Y111 AromaticContact CG-CD2 3.67Å; F95-Y111 HydrophobicContact CG-CD2 3.67Å; F95-Y111 HydrophobicContact CG-CG 4.39Å; F95-F114 AromaticContact CD2-CD1 3.97Å; F95-F114 HydrophobicContact CD2-CD1 3.97Å; F95-F114 HydrophobicContact CD2-CE1 4.49Å; F95-F114 HydrophobicContact CD2-CG 4.38Å; F95-F114 HydrophobicContact CE2-CB 3.8Å; F95-F114 AromaticContact CE2-CD1 3.9Å; F95-F114 HydrophobicContact CE2-CD1 3.9Å; F95-F114 AromaticContact CE2-CG 3.85Å; F95-F114 HydrophobicContact CE2-CG 3.85Å; F95-F114 HydrophobicContact CZ-CB 4.39Å |
| 96 | Q | 90.3 | Very high | 85.3 | Confident | 130 Ų | 130 | 54.5 Ų | 54.5 | 61% | 0.607 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -57.2 | -31.7 | 179.1 | -77.3 | 173.1 | -32 | 0 | 0 | 112.9 | L92 Q93 | L92-Q96 HydrophobicContact CG-CG 4.5Å; L92-Q96 WeakPolarHBondContact O-CB 3.32Å; L92-Q96 VanDerWaalsContact O-CG 3.32Å; L92-Q96 WeakPolarHBondContact O-CG 3.49Å; L92-Q96 PolarHBondContact O-N 3.28Å; Q93-Q96 PolarHBondContact O-N 2.76Å |
| 97 | R | 90.8 | Very high | 86.8 | Confident | 103 Ų | 103 | 47.8 Ų | 47.8 | 39% | 0.389 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -72.7 | -24.4 | 178.5 | -74 | 164.5 | 61.5 | -173.4 | 1.3 | 114.5 | E44 W57 Q93 V94 F95 | E44-R97 IonicContact OE1-CZ 3.49Å; E44-R97 IonicContact OE1-NH1 3.86Å; E44-R97 PolarHBondContact OE1-NH1 3.24Å; E44-R97 IonicContact OE1-NH2 2.92Å; E44-R97 IonicContact OE2-CZ 2.82Å; E44-R97 IonicContact OE2-NH1 3.69Å; E44-R97 PolarHBondContact OE2-NH1 3.23Å; E44-R97 IonicContact OE2-NH2 3.42Å; E44-R97 PolarHBondContact OE2-NH2 2.88Å; W57-R97 HydrophobicContact CH2-CB 4.3Å; W57-R97 HydrophobicContact CZ3-CB 4.4Å; Q93-R97 WeakPolarHBondContact O-CD 3.41Å; Q93-R97 VanDerWaalsContact O-CG 3.23Å; Q93-R97 WeakPolarHBondContact O-CG 3.44Å; Q93-R97 PolarHBondContact O-N 2.69Å; Q93-R97 VanDerWaalsContact O-N 3.11Å; V94-R97 PolarHBondContact O-N 2.73Å; F95-R97 PolarHBondContact O-N 2.84Å; F95-R97 VanDerWaalsContact O-N 3.16Å |
| 98 | C | 92.2 | Very high | 88.4 | Confident | 3 Ų | 3 | 45.5 Ų | 45.5 | 2% | 0.02 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -125.7 | -28.3 | -168.9 | 63 | 0 | 0 | 0 | 0 | 114.9 | W57 V94 F95 I100 E101 V102 | W57-C98 HydrophobicContact CB-CB 4.38Å; W57-C98 HydrophobicContact CD2-CB 3.49Å; W57-C98 VanDerWaalsContact CD2-CB 3.49Å; W57-C98 HydrophobicContact CE3-CB 3.97Å; W57-C98 HydrophobicContact CG-CB 3.68Å; W57-C98 HydrophobicContact CH2-CB 4.49Å; W57-C98 HydrophobicContact CZ2-CB 4.06Å; W57-C98 HydrophobicContact CZ3-CB 4.45Å; V94-C98 PolarHBondContact O-SG 2.74Å; F95-C98 PolarHBondContact O-N 3.3Å; F95-C98 VanDerWaalsContact O-N 3.08Å; C98-I100 VanDerWaalsContact C-N 3.33Å; C98-I100 PolarHBondContact O-N 3.47Å; C98-E101 PolarHBondContact O-N 3.42Å; C98-V102 HydrophobicContact CB-CG2 4.13Å; C98-V102 VanDerWaalsContact O-CB 3.31Å; C98-V102 WeakPolarHBondContact O-CB 3.26Å; C98-V102 WeakPolarHBondContact O-CG2 3.21Å; C98-V102 PolarHBondContact O-N 3.42Å |
| 99 | L | 90.6 | Very high | 90 | Very high | 11 Ų | 11 | 37.5 Ų | 37.5 | 6% | 0.058 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -34.2 | -162.8 | -163.3 | 71.1 | 0 | 0 | 0 | 113.9 | F95 L107 W108 Y111 | F95-L99 HydrophobicContact CD1-CD1 4.47Å; F95-L99 WeakPolarHBondContact O-CB 3.33Å; F95-L99 PolarHBondContact O-N 2.97Å; L99-L107 HydrophobicContact CD1-CD2 4.31Å; L99-L107 HydrophobicContact CD1-CG 4.16Å; L99-W108 HydrophobicContact CD1-CD2 3.58Å; L99-W108 HydrophobicContact CD1-CE3 4.01Å; L99-W108 HydrophobicContact CD1-CG 3.9Å; L99-W108 HydrophobicContact CD1-CH2 4.42Å; L99-W108 HydrophobicContact CD1-CZ2 4.05Å; L99-W108 HydrophobicContact CD1-CZ3 4.39Å; L99-W108 HydrophobicContact CD2-CD2 4.33Å; L99-W108 HydrophobicContact CD2-CE3 3.96Å; L99-W108 HydrophobicContact CD2-CH2 3.71Å; L99-W108 HydrophobicContact CD2-CZ2 4.11Å; L99-W108 HydrophobicContact CD2-CZ3 3.62Å; L99-W108 HydrophobicContact CG-CD2 3.92Å; L99-W108 HydrophobicContact CG-CE3 4.06Å; L99-W108 HydrophobicContact CG-CH2 3.66Å; L99-W108 HydrophobicContact CG-CZ2 3.5Å; L99-W108 HydrophobicContact CG-CZ3 3.93Å; L99-W108 VanDerWaalsContact O-CZ2 3.23Å; L99-W108 WeakPolarHBondContact O-CZ2 3.43Å; L99-Y111 HydrophobicContact CD1-CG 4.45Å; L99-Y111 HydrophobicContact CD2-CD1 3.53Å; L99-Y111 HydrophobicContact CD2-CD2 4.12Å; L99-Y111 HydrophobicContact CD2-CE1 3.69Å; L99-Y111 HydrophobicContact CD2-CE2 4.28Å; L99-Y111 HydrophobicContact CD2-CG 3.75Å |
| 100 | I | 88.3 | Confident | 91.3 | Very high | 115 Ų | 115 | 36.4 Ų | 36.4 | 59% | 0.59 | 18% | 0.176 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.6 | -35.7 | -179 | -62.2 | 176.1 | 0 | 0 | 0 | 111.5 | C98 | C98-I100 VanDerWaalsContact C-N 3.33Å; C98-I100 PolarHBondContact O-N 3.47Å |
| 101 | E | 88.9 | Confident | 92.1 | Very high | 102 Ų | 102 | 37.7 Ų | 37.7 | 48% | 0.477 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.1 | -24.2 | -174.7 | -62.8 | -179.8 | 179.6 | 0 | 0 | 112.9 | C98 R337 | C98-E101 PolarHBondContact O-N 3.42Å; E101-R337 PolarHBondContact O-NH1 3.45Å |
| 102 | V | 94.5 | Very high | 92.9 | Very high | 3 Ų | 3 | 37.6 Ų | 37.6 | 2% | 0.018 | 18% | 0.179 | C | C | . | . | trans | -105.8 | 88.5 | -175.3 | -173.4 | 0 | 0 | 0 | 0 | 110 | P51 G54 C98 N104 L107 W108 L292 | P51-V102 WeakPolarHBondContact O-CG2 3.32Å; G54-V102 VanDerWaalsContact CA-CG1 3.45Å; C98-V102 HydrophobicContact CB-CG2 4.13Å; C98-V102 VanDerWaalsContact O-CB 3.31Å; C98-V102 WeakPolarHBondContact O-CB 3.26Å; C98-V102 WeakPolarHBondContact O-CG2 3.21Å; C98-V102 PolarHBondContact O-N 3.42Å; V102-N104 HydrophobicContact CG1-CB 4.12Å; V102-N104 PolarHBondContact O-N 2.85Å; V102-L107 HydrophobicContact CB-CD2 4.02Å; V102-L107 HydrophobicContact CG1-CD2 3.87Å; V102-W108 PolarHBondContact O-NE1 2.88Å; V102-L292 HydrophobicContact CG1-CD2 4.16Å | ||
| 103 | L | 96.2 | Very high | 93.4 | Very high | 11 Ų | 11 | 40.2 Ų | 40.2 | 6% | 0.058 | 19% | 0.187 | C | C | . | . | trans | -78.5 | 47.3 | -177.8 | -58.4 | -173.9 | 0 | 0 | 0 | 113.2 | W108 K139 V140 F285 E288 Q289 | L103-W108 HydrophobicContact CD2-CZ2 4.44Å; L103-K139 HydrophobicContact CD2-CB 3.99Å; L103-K139 HydrophobicContact CD2-CD 4.38Å; L103-V140 HydrophobicContact CB-CG1 4.23Å; L103-F285 HydrophobicContact CB-CE2 4.46Å; L103-F285 HydrophobicContact CD1-CD2 4.29Å; L103-F285 HydrophobicContact CD1-CE2 4.35Å; L103-E288 HydrophobicContact CD1-CB 3.89Å; L103-E288 HydrophobicContact CD1-CG 3.94Å; L103-Q289 PolarHBondContact O-NE2 3.4Å; L103-Q289 PolarHBondContact O-OE1 2.89Å | ||
| 104 | N | 96.9 | Very high | 93.6 | Very high | 24 Ų | 24 | 37.9 Ų | 37.9 | 13% | 0.128 | 18% | 0.177 | C | C | . | . | trans | -91.7 | 120.2 | -179.6 | 176.9 | -95.7 | 0 | 0 | 0 | 111.7 | V102 D106 L107 W108 L292 | V102-N104 HydrophobicContact CG1-CB 4.12Å; V102-N104 PolarHBondContact O-N 2.85Å; N104-D106 VanDerWaalsContact C-N 3.29Å; N104-D106 PolarHBondContact O-N 3.43Å; N104-D106 VanDerWaalsContact O-N 3.17Å; N104-D106 PolarHBondContact OD1-N 3.4Å; N104-L107 HydrophobicContact CB-CB 4.07Å; N104-L107 WeakPolarHBondContact O-CB 3.43Å; N104-L107 PolarHBondContact O-N 3.46Å; N104-L107 VanDerWaalsContact O-N 3.08Å; N104-L107 PolarHBondContact OD1-N 3.16Å; N104-W108 VanDerWaalsContact O-CD1 3.28Å; N104-W108 PolarHBondContact O-N 2.93Å; N104-W108 VanDerWaalsContact O-N 3.14Å; N104-L292 HydrophobicContact CB-CD1 4.21Å | ||
| 105 | I | 96.6 | Very high | 93.6 | Very high | 13 Ų | 13 | 38.6 Ų | 38.6 | 7% | 0.067 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -54.6 | -39.7 | -174.4 | -171.6 | 63.1 | 0 | 0 | 0 | 114 | W108 K109 V140 D143 I149 | I105-W108 PolarHBondContact O-N 3.32Å; I105-K109 HydrophobicContact CG1-CD 4.48Å; I105-K109 WeakPolarHBondContact O-CG 3.42Å; I105-K109 PolarHBondContact O-N 3.25Å; I105-V140 HydrophobicContact CD1-CB 4.16Å; I105-V140 HydrophobicContact CD1-CG2 3.94Å; I105-D143 HydrophobicContact CD1-CB 4.37Å; I105-I149 HydrophobicContact CD1-CD1 3.45Å; I105-I149 VanDerWaalsContact CD1-CD1 3.45Å; I105-I149 HydrophobicContact CD1-CG1 4.25Å |
| 106 | D | 97 | Very high | 93.4 | Very high | 68 Ų | 68 | 42.3 Ų | 42.3 | 36% | 0.364 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -72.5 | -33.2 | -179.1 | -71.2 | -49.7 | 0 | 0 | 0 | 113.3 | K58 N104 S110 | K58-D106 HydrophobicContact CD-CB 4.04Å; N104-D106 VanDerWaalsContact C-N 3.29Å; N104-D106 PolarHBondContact O-N 3.43Å; N104-D106 VanDerWaalsContact O-N 3.17Å; N104-D106 PolarHBondContact OD1-N 3.4Å; D106-S110 WeakPolarHBondContact O-CB 3.29Å; D106-S110 PolarHBondContact O-N 3.15Å |
| 107 | L | 96.6 | Very high | 93.1 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -63.6 | -45.5 | 172.4 | 178.7 | 66.3 | 0 | 0 | 0 | 110.5 | W57 K58 F95 L99 V102 N104 S110 Y111 | W57-L107 HydrophobicContact CB-CD1 3.88Å; W57-L107 HydrophobicContact CB-CD2 4.24Å; K58-L107 HydrophobicContact CB-CD1 4Å; F95-L107 HydrophobicContact CD1-CD1 4.14Å; F95-L107 HydrophobicContact CE1-CD1 3.84Å; L99-L107 HydrophobicContact CD1-CD2 4.31Å; L99-L107 HydrophobicContact CD1-CG 4.16Å; V102-L107 HydrophobicContact CB-CD2 4.02Å; V102-L107 HydrophobicContact CG1-CD2 3.87Å; N104-L107 HydrophobicContact CB-CB 4.07Å; N104-L107 WeakPolarHBondContact O-CB 3.43Å; N104-L107 PolarHBondContact O-N 3.46Å; N104-L107 VanDerWaalsContact O-N 3.08Å; N104-L107 PolarHBondContact OD1-N 3.16Å; L107-S110 WeakPolarHBondContact O-CB 3.45Å; L107-S110 PolarHBondContact O-N 2.96Å; L107-Y111 PolarHBondContact O-N 2.79Å |
| 108 | W | 97.3 | Very high | 92.6 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -65.6 | -40.4 | 177.6 | -79.8 | 87.7 | 0 | 0 | 0 | 112.6 | L99 V102 L103 N104 I105 S110 Y111 L112 F135 A136 K139 V140 | L99-W108 HydrophobicContact CD1-CD2 3.58Å; L99-W108 HydrophobicContact CD1-CE3 4.01Å; L99-W108 HydrophobicContact CD1-CG 3.9Å; L99-W108 HydrophobicContact CD1-CH2 4.42Å; L99-W108 HydrophobicContact CD1-CZ2 4.05Å; L99-W108 HydrophobicContact CD1-CZ3 4.39Å; L99-W108 HydrophobicContact CD2-CD2 4.33Å; L99-W108 HydrophobicContact CD2-CE3 3.96Å; L99-W108 HydrophobicContact CD2-CH2 3.71Å; L99-W108 HydrophobicContact CD2-CZ2 4.11Å; L99-W108 HydrophobicContact CD2-CZ3 3.62Å; L99-W108 HydrophobicContact CG-CD2 3.92Å; L99-W108 HydrophobicContact CG-CE3 4.06Å; L99-W108 HydrophobicContact CG-CH2 3.66Å; L99-W108 HydrophobicContact CG-CZ2 3.5Å; L99-W108 HydrophobicContact CG-CZ3 3.93Å; L99-W108 VanDerWaalsContact O-CZ2 3.23Å; L99-W108 WeakPolarHBondContact O-CZ2 3.43Å; V102-W108 PolarHBondContact O-NE1 2.88Å; L103-W108 HydrophobicContact CD2-CZ2 4.44Å; N104-W108 VanDerWaalsContact O-CD1 3.28Å; N104-W108 PolarHBondContact O-N 2.93Å; N104-W108 VanDerWaalsContact O-N 3.14Å; I105-W108 PolarHBondContact O-N 3.32Å; W108-S110 VanDerWaalsContact C-N 3.3Å; W108-S110 PolarHBondContact O-N 3.19Å; W108-Y111 HydrophobicContact CE3-CD1 4.3Å; W108-Y111 HydrophobicContact CZ3-CD1 4.47Å; W108-Y111 WeakPolarHBondContact O-CB 3.39Å; W108-Y111 PolarHBondContact O-N 3.36Å; W108-L112 WeakPolarHBondContact O-CG 3.09Å; W108-L112 PolarHBondContact O-N 3.16Å; W108-F135 AromaticContact CH2-CD1 3.85Å; W108-F135 HydrophobicContact CH2-CD1 3.85Å; W108-F135 AromaticContact CH2-CE1 3.59Å; W108-F135 HydrophobicContact CH2-CE1 3.59Å; W108-F135 HydrophobicContact CH2-CZ 4.26Å; W108-F135 AromaticContact CZ3-CD1 3.89Å; W108-F135 HydrophobicContact CZ3-CD1 3.89Å; W108-F135 HydrophobicContact CZ3-CE1 4.07Å; W108-A136 HydrophobicContact CE3-CB 3.68Å; W108-A136 HydrophobicContact CZ3-CB 3.96Å; W108-K139 HydrophobicContact CH2-CB 3.66Å; W108-K139 HydrophobicContact CH2-CG 3.53Å; W108-K139 HydrophobicContact CZ2-CB 3.39Å; W108-K139 HydrophobicContact CZ2-CG 3.6Å; W108-K139 HydrophobicContact CZ3-CB 4.41Å; W108-V140 HydrophobicContact CB-CG2 3.84Å; W108-V140 VanDerWaalsContact CD1-CG1 3.43Å; W108-V140 HydrophobicContact CD2-CG1 4.33Å; W108-V140 HydrophobicContact CD2-CG2 4.16Å; W108-V140 HydrophobicContact CG-CG1 3.88Å; W108-V140 HydrophobicContact CG-CG2 3.79Å |
| 109 | K | 97 | Very high | 92 | Very high | 42 Ų | 42 | 41.4 Ų | 41.4 | 18% | 0.183 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -58.7 | -41.9 | 170.9 | -73.5 | 176 | -179.1 | -178.4 | 0 | 111.7 | I105 L112 K113 I149 | I105-K109 HydrophobicContact CG1-CD 4.48Å; I105-K109 WeakPolarHBondContact O-CG 3.42Å; I105-K109 PolarHBondContact O-N 3.25Å; K109-L112 PolarHBondContact O-N 3.32Å; K109-K113 PolarHBondContact O-N 2.93Å; K109-I149 HydrophobicContact CG-CD1 4.23Å; K109-I149 HydrophobicContact CG-CG1 4.04Å |
| 110 | S | 95.8 | Very high | 91.3 | Very high | 8 Ų | 8 | 42.8 Ų | 42.8 | 6% | 0.056 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -64.7 | -40.2 | 176.3 | -162.4 | 0 | 0 | 0 | 0 | 112.2 | E62 D106 L107 W108 K113 F114 | E62-S110 WeakPolarHBondContact CG-OG 3.47Å; E62-S110 WeakPolarHBondContact OE1-CB 3.29Å; E62-S110 PolarHBondContact OE1-OG 3.26Å; D106-S110 WeakPolarHBondContact O-CB 3.29Å; D106-S110 PolarHBondContact O-N 3.15Å; L107-S110 WeakPolarHBondContact O-CB 3.45Å; L107-S110 PolarHBondContact O-N 2.96Å; W108-S110 VanDerWaalsContact C-N 3.3Å; W108-S110 PolarHBondContact O-N 3.19Å; S110-K113 PolarHBondContact O-N 3.29Å; S110-F114 WeakPolarHBondContact O-CB 3.36Å; S110-F114 PolarHBondContact O-N 3.19Å |
| 111 | Y | 95.7 | Very high | 90.8 | Very high | 34 Ų | 34 | 45.7 Ų | 45.7 | 13% | 0.133 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -61.5 | -48.3 | 173.8 | 173.2 | -114.2 | 0 | 0 | 0 | 112.4 | F95 L99 L107 W108 K113 F114 V115 V132 | F95-Y111 HydrophobicContact CB-CD2 3.92Å; F95-Y111 HydrophobicContact CB-CE2 4.35Å; F95-Y111 HydrophobicContact CD1-CD2 4.06Å; F95-Y111 HydrophobicContact CD1-CG 4.33Å; F95-Y111 AromaticContact CD2-CD2 3.8Å; F95-Y111 HydrophobicContact CD2-CD2 3.8Å; F95-Y111 HydrophobicContact CE2-CD2 4.31Å; F95-Y111 AromaticContact CG-CD2 3.67Å; F95-Y111 HydrophobicContact CG-CD2 3.67Å; F95-Y111 HydrophobicContact CG-CG 4.39Å; L99-Y111 HydrophobicContact CD1-CG 4.45Å; L99-Y111 HydrophobicContact CD2-CD1 3.53Å; L99-Y111 HydrophobicContact CD2-CD2 4.12Å; L99-Y111 HydrophobicContact CD2-CE1 3.69Å; L99-Y111 HydrophobicContact CD2-CE2 4.28Å; L99-Y111 HydrophobicContact CD2-CG 3.75Å; L107-Y111 PolarHBondContact O-N 2.79Å; W108-Y111 HydrophobicContact CE3-CD1 4.3Å; W108-Y111 HydrophobicContact CZ3-CD1 4.47Å; W108-Y111 WeakPolarHBondContact O-CB 3.39Å; W108-Y111 PolarHBondContact O-N 3.36Å; Y111-K113 VanDerWaalsContact C-N 3.31Å; Y111-K113 PolarHBondContact O-N 3.48Å; Y111-F114 WeakPolarHBondContact O-CA 3.28Å; Y111-F114 WeakPolarHBondContact O-CB 3.46Å; Y111-F114 PolarHBondContact O-N 3.46Å; Y111-V115 HydrophobicContact CD2-CG2 4.02Å; Y111-V115 HydrophobicContact CE1-CG2 4.1Å; Y111-V115 HydrophobicContact CE2-CG2 3.51Å; Y111-V115 WeakPolarHBondContact O-CG2 3.4Å; Y111-V115 PolarHBondContact O-N 2.72Å; Y111-V132 HydrophobicContact CE1-CG1 3.78Å |
| 112 | L | 95.4 | Very high | 90.2 | Very high | 1 Ų | 1 | 43.3 Ų | 43.3 | 1% | 0.005 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -57.5 | -44.3 | 177.1 | -70.9 | 168.1 | 0 | 0 | 0 | 111.7 | W108 K109 F114 V115 R116 M129 V132 Y133 A136 I149 | W108-L112 WeakPolarHBondContact O-CG 3.09Å; W108-L112 PolarHBondContact O-N 3.16Å; K109-L112 PolarHBondContact O-N 3.32Å; L112-F114 VanDerWaalsContact C-N 3.33Å; L112-F114 PolarHBondContact O-N 2.78Å; L112-V115 PolarHBondContact O-N 2.97Å; L112-R116 WeakPolarHBondContact O-CB 3.16Å; L112-R116 PolarHBondContact O-N 3.37Å; L112-M129 HydrophobicContact CD2-CE 4.05Å; L112-V132 HydrophobicContact CD2-CG1 3.72Å; L112-Y133 HydrophobicContact CD1-CD1 4.21Å; L112-Y133 HydrophobicContact CD1-CE1 3.91Å; L112-Y133 HydrophobicContact CD2-CD1 3.8Å; L112-Y133 HydrophobicContact CD2-CE1 3.78Å; L112-Y133 HydrophobicContact CD2-CG 4.37Å; L112-Y133 HydrophobicContact CG-CE1 4.33Å; L112-A136 HydrophobicContact CD1-CB 4.15Å; L112-A136 HydrophobicContact CD2-CB 4.09Å; L112-A136 HydrophobicContact CG-CB 4.39Å; L112-I149 HydrophobicContact CD1-CB 4.5Å; L112-I149 HydrophobicContact CD1-CD1 4.02Å; L112-I149 HydrophobicContact CD1-CG1 4.04Å; L112-I149 HydrophobicContact CD1-CG2 3.8Å |
| 113 | K | 93.1 | Very high | 89.5 | Confident | 118 Ų | 118 | 47.8 Ų | 47.8 | 51% | 0.513 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -61.5 | -40.9 | 174.5 | -174.1 | 174.8 | -177.1 | 172.6 | 0 | 112.2 | K109 S110 Y111 T117 | K109-K113 PolarHBondContact O-N 2.93Å; S110-K113 PolarHBondContact O-N 3.29Å; Y111-K113 VanDerWaalsContact C-N 3.31Å; Y111-K113 PolarHBondContact O-N 3.48Å; K113-T117 WeakPolarHBondContact O-CB 3.21Å; K113-T117 PolarHBondContact O-N 2.62Å; K113-T117 VanDerWaalsContact O-N 3.08Å; K113-T117 PolarHBondContact O-OG1 2.86Å |
| 114 | F | 90.2 | Very high | 88.9 | Confident | 7 Ų | 7 | 50.1 Ų | 50.1 | 3% | 0.031 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -63.6 | -48 | 177.3 | 168.8 | -104.1 | 0 | 0 | 0 | 112.4 | R65 P91 L92 F95 S110 Y111 L112 T117 T118 | R65-F114 HydrophobicContact CG-CD2 4.02Å; P91-F114 HydrophobicContact CB-CD2 4.03Å; P91-F114 HydrophobicContact CB-CE2 3.61Å; P91-F114 HydrophobicContact CB-CZ 3.93Å; P91-F114 HydrophobicContact CG-CE2 4.04Å; L92-F114 HydrophobicContact CB-CE1 3.88Å; L92-F114 HydrophobicContact CB-CZ 4.05Å; L92-F114 HydrophobicContact CD1-CE1 4.14Å; F95-F114 AromaticContact CD2-CD1 3.97Å; F95-F114 HydrophobicContact CD2-CD1 3.97Å; F95-F114 HydrophobicContact CD2-CE1 4.49Å; F95-F114 HydrophobicContact CD2-CG 4.38Å; F95-F114 HydrophobicContact CE2-CB 3.8Å; F95-F114 AromaticContact CE2-CD1 3.9Å; F95-F114 HydrophobicContact CE2-CD1 3.9Å; F95-F114 AromaticContact CE2-CG 3.85Å; F95-F114 HydrophobicContact CE2-CG 3.85Å; F95-F114 HydrophobicContact CZ-CB 4.39Å; S110-F114 WeakPolarHBondContact O-CB 3.36Å; S110-F114 PolarHBondContact O-N 3.19Å; Y111-F114 WeakPolarHBondContact O-CA 3.28Å; Y111-F114 WeakPolarHBondContact O-CB 3.46Å; Y111-F114 PolarHBondContact O-N 3.46Å; L112-F114 VanDerWaalsContact C-N 3.33Å; L112-F114 PolarHBondContact O-N 2.78Å; F114-T117 PolarHBondContact O-N 3.17Å; F114-T118 VanDerWaalsContact CE2-OG1 3.27Å; F114-T118 WeakPolarHBondContact CE2-OG1 3.46Å; F114-T118 HydrophobicContact CZ-CG2 4.42Å; F114-T118 VanDerWaalsContact O-CB 3.25Å; F114-T118 WeakPolarHBondContact O-CB 3.4Å; F114-T118 PolarHBondContact O-N 3.48Å; F114-T118 PolarHBondContact O-OG1 2.99Å |
| 115 | V | 89.2 | Confident | 88.4 | Confident | 14 Ų | 14 | 50.3 Ų | 50.3 | 9% | 0.085 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -61.7 | -47.3 | 178.4 | 176.6 | 0 | 0 | 0 | 0 | 110.4 | Y111 L112 T117 T118 K119 M129 V132 | Y111-V115 HydrophobicContact CD2-CG2 4.02Å; Y111-V115 HydrophobicContact CE1-CG2 4.1Å; Y111-V115 HydrophobicContact CE2-CG2 3.51Å; Y111-V115 WeakPolarHBondContact O-CG2 3.4Å; Y111-V115 PolarHBondContact O-N 2.72Å; L112-V115 PolarHBondContact O-N 2.97Å; V115-T117 VanDerWaalsContact C-N 3.32Å; V115-T117 PolarHBondContact O-N 3.07Å; V115-T118 PolarHBondContact O-N 3.19Å; V115-T118 VanDerWaalsContact O-N 3.17Å; V115-K119 HydrophobicContact CG1-CB 4.45Å; V115-K119 HydrophobicContact CG1-CG 4.27Å; V115-K119 WeakPolarHBondContact O-CB 3.47Å; V115-K119 PolarHBondContact O-N 3.37Å; V115-M129 HydrophobicContact CB-SD 4.26Å; V115-M129 HydrophobicContact CG1-SD 3.74Å; V115-V132 HydrophobicContact CG1-CG1 4.42Å; V115-V132 HydrophobicContact CG1-CG2 4.34Å; V115-V132 HydrophobicContact CG2-CG1 4.37Å |
| 116 | R | 89 | Confident | 87.9 | Confident | 82 Ų | 82 | 55.4 Ų | 55.4 | 31% | 0.309 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -55.2 | -46.4 | 177.4 | -172.4 | -174.4 | -78.3 | 147.2 | -26.2 | 112 | L112 G120 F125 M129 Y133 E152 | L112-R116 WeakPolarHBondContact O-CB 3.16Å; L112-R116 PolarHBondContact O-N 3.37Å; R116-G120 PolarHBondContact O-N 2.9Å; R116-F125 HydrophobicContact CG-CZ 4.17Å; R116-M129 HydrophobicContact CB-CE 4.21Å; R116-M129 HydrophobicContact CB-SD 4.34Å; R116-Y133 PolarHBondContact NH2-OH 3.34Å; R116-E152 IonicContact CZ-OE2 2.81Å; R116-E152 IonicContact NH1-OE2 3.58Å; R116-E152 PolarHBondContact NH1-OE2 3.17Å; R116-E152 IonicContact NH2-OE2 3.45Å; R116-E152 PolarHBondContact NH2-OE2 3.28Å; R116-E152 VanDerWaalsContact NH2-OE2 3.11Å |
| 117 | T | 85 | Confident | 87.4 | Confident | 89 Ų | 89 | 57.4 Ų | 57.4 | 55% | 0.546 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -69.8 | -34.8 | -179.6 | -50.6 | 0 | 0 | 0 | 0 | 112.4 | K113 F114 V115 | K113-T117 WeakPolarHBondContact O-CB 3.21Å; K113-T117 PolarHBondContact O-N 2.62Å; K113-T117 VanDerWaalsContact O-N 3.08Å; K113-T117 PolarHBondContact O-OG1 2.86Å; F114-T117 PolarHBondContact O-N 3.17Å; V115-T117 VanDerWaalsContact C-N 3.32Å; V115-T117 PolarHBondContact O-N 3.07Å |
| 118 | T | 79.6 | Confident | 87 | Confident | 15 Ų | 15 | 62.6 Ų | 62.6 | 9% | 0.092 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -88 | -38.3 | -171.8 | -65.2 | 0 | 0 | 0 | 0 | 113.3 | Y77 F114 V115 | Y77-T118 PolarHBondContact OH-O 3.32Å; F114-T118 VanDerWaalsContact CE2-OG1 3.27Å; F114-T118 WeakPolarHBondContact CE2-OG1 3.46Å; F114-T118 HydrophobicContact CZ-CG2 4.42Å; F114-T118 VanDerWaalsContact O-CB 3.25Å; F114-T118 WeakPolarHBondContact O-CB 3.4Å; F114-T118 PolarHBondContact O-N 3.48Å; F114-T118 PolarHBondContact O-OG1 2.99Å; V115-T118 PolarHBondContact O-N 3.19Å; V115-T118 VanDerWaalsContact O-N 3.17Å |
| 119 | K | 78.8 | Confident | 86.8 | Confident | 113 Ų | 113 | 62.7 Ų | 62.7 | 49% | 0.491 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -100.7 | -4.6 | -174.3 | -62.6 | -65.9 | -173.4 | 176.5 | 0 | 112.9 | V115 K121 S122 F125 | V115-K119 HydrophobicContact CG1-CB 4.45Å; V115-K119 HydrophobicContact CG1-CG 4.27Å; V115-K119 WeakPolarHBondContact O-CB 3.47Å; V115-K119 PolarHBondContact O-N 3.37Å; K119-K121 PolarHBondContact O-N 3.1Å; K119-S122 WeakPolarHBondContact O-CB 3.29Å; K119-S122 PolarHBondContact O-N 3.5Å; K119-F125 HydrophobicContact CB-CD2 3.73Å; K119-F125 HydrophobicContact CB-CE2 4.15Å; K119-F125 WeakPolarHBondContact O-CB 3.5Å; K119-F125 WeakPolarHBondContact O-CD2 3.35Å; K119-F125 WeakPolarHBondContact O-CG 3.47Å |
| 120 | G | 77.2 | Confident | 86.6 | Confident | 39 Ų | 39 | 61.6 Ų | 61.6 | 40% | 0.402 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.8 | -21.3 | -174.7 | 0 | 0 | 0 | 0 | 0 | 116.5 | R116 | R116-G120 PolarHBondContact O-N 2.9Š|
| 121 | K | 76.8 | Confident | 86.6 | Confident | 176 Ų | 176 | 67.2 Ų | 67.2 | 77% | 0.765 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.4 | -4 | 178.5 | -61.2 | -174.1 | 178.5 | -173.9 | 0 | 114.4 | K119 | K119-K121 PolarHBondContact O-N 3.1Š|
| 122 | S | 76.8 | Confident | 86.5 | Confident | 53 Ų | 53 | 66.6 Ų | 66.6 | 37% | 0.371 | 34% | 0.344 | S | S | . | . | S | Bend | trans | -77.8 | 141.1 | -178.2 | -171.4 | 0 | 0 | 0 | 0 | 111 | K119 T124 F125 | K119-S122 WeakPolarHBondContact O-CB 3.29Å; K119-S122 PolarHBondContact O-N 3.5Å; S122-T124 PolarHBondContact O-N 3.39Å; S122-T124 PolarHBondContact OG-OG1 3.03Å; S122-F125 WeakPolarHBondContact O-CB 3.17Å; S122-F125 PolarHBondContact O-N 3.48Å |
| 123 | A | 79.3 | Confident | 86.6 | Confident | 96 Ų | 96 | 66.6 Ų | 66.6 | 79% | 0.793 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57 | -33.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | F125 | A123-F125 VanDerWaalsContact C-N 3.33Š|
| 124 | T | 83 | Confident | 86.8 | Confident | 60 Ų | 60 | 63.7 Ų | 63.7 | 37% | 0.368 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.1 | 17.7 | 177.9 | 53.9 | 0 | 0 | 0 | 0 | 113 | S122 R126 E127 K128 | S122-T124 PolarHBondContact O-N 3.39Å; S122-T124 PolarHBondContact OG-OG1 3.03Å; T124-R126 VanDerWaalsContact C-N 3.28Å; T124-R126 PolarHBondContact O-N 2.95Å; T124-E127 WeakPolarHBondContact CA-OE2 3.07Å; T124-K128 WeakPolarHBondContact O-CB 3.36Å; T124-K128 VanDerWaalsContact O-CG 3.32Å; T124-K128 WeakPolarHBondContact O-CG 3.48Å; T124-K128 PolarHBondContact O-N 3.24Å; T124-K128 WeakPolarHBondContact OG1-CE 3.24Å; T124-K128 PolarHBondContact OG1-NZ 2.97Å |
| 125 | F | 87 | Confident | 87.1 | Confident | 29 Ų | 29 | 66.8 Ų | 66.8 | 13% | 0.127 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -61.3 | -38.8 | -176.8 | 171.7 | -118.3 | 0 | 0 | 0 | 111.8 | R116 K119 S122 A123 M129 F156 | R116-F125 HydrophobicContact CG-CZ 4.17Å; K119-F125 HydrophobicContact CB-CD2 3.73Å; K119-F125 HydrophobicContact CB-CE2 4.15Å; K119-F125 WeakPolarHBondContact O-CB 3.5Å; K119-F125 WeakPolarHBondContact O-CD2 3.35Å; K119-F125 WeakPolarHBondContact O-CG 3.47Å; S122-F125 WeakPolarHBondContact O-CB 3.17Å; S122-F125 PolarHBondContact O-N 3.48Å; A123-F125 VanDerWaalsContact C-N 3.33Å; F125-M129 HydrophobicContact CD2-CB 4.27Å; F125-M129 HydrophobicContact CE2-CB 3.93Å; F125-M129 HydrophobicContact CE2-CG 4.08Å; F125-M129 HydrophobicContact CE2-SD 3.93Å; F125-M129 HydrophobicContact CZ-CB 4.14Å; F125-M129 HydrophobicContact CZ-CG 4.02Å; F125-M129 HydrophobicContact CZ-SD 4.2Å; F125-M129 WeakPolarHBondContact O-CB 3.43Å; F125-M129 PolarHBondContact O-N 2.97Å; F125-F156 HydrophobicContact CE1-CE2 4.02Å; F125-F156 HydrophobicContact CZ-CE2 4.4Å |
| 126 | R | 86.4 | Confident | 87.5 | Confident | 119 Ų | 119 | 66.1 Ų | 66.1 | 45% | 0.449 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -70.9 | -47.7 | -169.6 | -65.3 | -171.8 | -175.7 | 101.8 | -3 | 111.9 | T124 M129 A130 F156 | T124-R126 VanDerWaalsContact C-N 3.28Å; T124-R126 PolarHBondContact O-N 2.95Å; R126-M129 PolarHBondContact O-N 2.74Å; R126-A130 PolarHBondContact O-N 2.7Å; R126-F156 HydrophobicContact CB-CZ 4.41Å |
| 127 | E | 86.4 | Confident | 87.9 | Confident | 110 Ų | 110 | 62.4 Ų | 62.4 | 51% | 0.514 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -61.9 | -50.5 | 177.7 | -58 | 75.1 | -161.7 | 0 | 0 | 109.8 | T124 M129 A130 E131 | T124-E127 WeakPolarHBondContact CA-OE2 3.07Å; E127-M129 VanDerWaalsContact C-N 3.33Å; E127-M129 PolarHBondContact O-N 3.41Å; E127-A130 PolarHBondContact O-N 3.33Å; E127-E131 WeakPolarHBondContact O-CG 3.49Å; E127-E131 PolarHBondContact O-N 3.05Å |
| 128 | K | 88.2 | Confident | 88.5 | Confident | 110 Ų | 110 | 64.1 Ų | 64.1 | 48% | 0.478 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -63.8 | -36.1 | 179.6 | -70.5 | 175.8 | 177.6 | 161.3 | 0 | 113 | T124 V132 | T124-K128 WeakPolarHBondContact O-CB 3.36Å; T124-K128 VanDerWaalsContact O-CG 3.32Å; T124-K128 WeakPolarHBondContact O-CG 3.48Å; T124-K128 PolarHBondContact O-N 3.24Å; T124-K128 WeakPolarHBondContact OG1-CE 3.24Å; T124-K128 PolarHBondContact OG1-NZ 2.97Å; K128-V132 WeakPolarHBondContact O-CB 3.35Å; K128-V132 WeakPolarHBondContact O-CG2 3.44Å; K128-V132 PolarHBondContact O-N 2.69Å |
| 129 | M | 92.9 | Very high | 89.3 | Confident | 1 Ų | 1 | 66 Ų | 66 | 1% | 0.005 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -71.3 | -36.8 | 178.3 | -170.7 | 72.1 | -156.2 | 0 | 0 | 111.2 | L112 V115 R116 F125 R126 E127 V132 Y133 F156 | L112-M129 HydrophobicContact CD2-CE 4.05Å; V115-M129 HydrophobicContact CB-SD 4.26Å; V115-M129 HydrophobicContact CG1-SD 3.74Å; R116-M129 HydrophobicContact CB-CE 4.21Å; R116-M129 HydrophobicContact CB-SD 4.34Å; F125-M129 HydrophobicContact CD2-CB 4.27Å; F125-M129 HydrophobicContact CE2-CB 3.93Å; F125-M129 HydrophobicContact CE2-CG 4.08Å; F125-M129 HydrophobicContact CE2-SD 3.93Å; F125-M129 HydrophobicContact CZ-CB 4.14Å; F125-M129 HydrophobicContact CZ-CG 4.02Å; F125-M129 HydrophobicContact CZ-SD 4.2Å; F125-M129 WeakPolarHBondContact O-CB 3.43Å; F125-M129 PolarHBondContact O-N 2.97Å; R126-M129 PolarHBondContact O-N 2.74Å; E127-M129 VanDerWaalsContact C-N 3.33Å; E127-M129 PolarHBondContact O-N 3.41Å; M129-V132 PolarHBondContact O-N 3.41Å; M129-Y133 HydrophobicContact CE-CD2 3.92Å; M129-Y133 HydrophobicContact CE-CE1 4.33Å; M129-Y133 HydrophobicContact CE-CE2 3.26Å; M129-Y133 VanDerWaalsContact CE-CZ 3.47Å; M129-Y133 WeakPolarHBondContact CE-OH 3.29Å; M129-Y133 HydrophobicContact CG-CD2 4.05Å; M129-Y133 HydrophobicContact CG-CE2 3.77Å; M129-Y133 WeakPolarHBondContact O-CD2 3.45Å; M129-Y133 PolarHBondContact O-N 3.27Å; M129-Y133 HydrophobicContact SD-CE2 4.38Å; M129-F156 HydrophobicContact CB-CE1 4.17Å; M129-F156 HydrophobicContact CB-CE2 3.97Å; M129-F156 HydrophobicContact CB-CZ 3.58Å; M129-F156 HydrophobicContact CG-CD2 4.26Å; M129-F156 HydrophobicContact CG-CE1 4.23Å; M129-F156 HydrophobicContact CG-CE2 3.8Å; M129-F156 HydrophobicContact CG-CZ 3.79Å |
| 130 | A | 93.4 | Very high | 90.2 | Very high | 19 Ų | 19 | 60.6 Ų | 60.6 | 16% | 0.157 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -61.6 | -45.6 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | R126 E127 V132 Y133 D134 Y153 F156 | R126-A130 PolarHBondContact O-N 2.7Å; E127-A130 PolarHBondContact O-N 3.33Å; A130-V132 VanDerWaalsContact C-N 3.3Å; A130-V132 PolarHBondContact O-N 2.86Å; A130-Y133 WeakPolarHBondContact O-CB 3.5Å; A130-Y133 PolarHBondContact O-N 2.95Å; A130-Y133 VanDerWaalsContact O-N 3.16Å; A130-D134 PolarHBondContact O-N 3.39Å; A130-Y153 HydrophobicContact CB-CE2 4.18Å; A130-F156 HydrophobicContact CB-CE1 4.31Å |
| 131 | E | 94.6 | Very high | 91.2 | Very high | 126 Ų | 126 | 58.8 Ų | 58.8 | 59% | 0.589 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -57.9 | -41.9 | 174 | -69.8 | 169.6 | -163.5 | 0 | 0 | 112.2 | E127 Y133 D134 F135 | E127-E131 WeakPolarHBondContact O-CG 3.49Å; E127-E131 PolarHBondContact O-N 3.05Å; E131-Y133 VanDerWaalsContact C-N 3.35Å; E131-Y133 PolarHBondContact O-N 3.38Å; E131-D134 PolarHBondContact O-N 2.96Å; E131-F135 WeakPolarHBondContact O-CB 3.45Å; E131-F135 PolarHBondContact O-N 2.99Å |
| 132 | V | 94.6 | Very high | 92.2 | Very high | 22 Ų | 22 | 52.1 Ų | 52.1 | 13% | 0.133 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -64.9 | -37.8 | 177.6 | 167.9 | 0 | 0 | 0 | 0 | 111.7 | Y111 L112 V115 K128 M129 A130 A136 | Y111-V132 HydrophobicContact CE1-CG1 3.78Å; L112-V132 HydrophobicContact CD2-CG1 3.72Å; V115-V132 HydrophobicContact CG1-CG1 4.42Å; V115-V132 HydrophobicContact CG1-CG2 4.34Å; V115-V132 HydrophobicContact CG2-CG1 4.37Å; K128-V132 WeakPolarHBondContact O-CB 3.35Å; K128-V132 WeakPolarHBondContact O-CG2 3.44Å; K128-V132 PolarHBondContact O-N 2.69Å; M129-V132 PolarHBondContact O-N 3.41Å; A130-V132 VanDerWaalsContact C-N 3.3Å; A130-V132 PolarHBondContact O-N 2.86Å; V132-A136 WeakPolarHBondContact O-CB 3.26Å; V132-A136 PolarHBondContact O-N 2.88Å |
| 133 | Y | 98 | Very high | 93.1 | Very high | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -66.6 | -45.6 | 173.1 | -85.7 | -63.7 | 0 | 0 | 0 | 112.6 | L112 R116 M129 A130 E131 F135 A136 L137 I149 E152 Y153 F156 | L112-Y133 HydrophobicContact CD1-CD1 4.21Å; L112-Y133 HydrophobicContact CD1-CE1 3.91Å; L112-Y133 HydrophobicContact CD2-CD1 3.8Å; L112-Y133 HydrophobicContact CD2-CE1 3.78Å; L112-Y133 HydrophobicContact CD2-CG 4.37Å; L112-Y133 HydrophobicContact CG-CE1 4.33Å; R116-Y133 PolarHBondContact NH2-OH 3.34Å; M129-Y133 HydrophobicContact CE-CD2 3.92Å; M129-Y133 HydrophobicContact CE-CE1 4.33Å; M129-Y133 HydrophobicContact CE-CE2 3.26Å; M129-Y133 VanDerWaalsContact CE-CZ 3.47Å; M129-Y133 WeakPolarHBondContact CE-OH 3.29Å; M129-Y133 HydrophobicContact CG-CD2 4.05Å; M129-Y133 HydrophobicContact CG-CE2 3.77Å; M129-Y133 WeakPolarHBondContact O-CD2 3.45Å; M129-Y133 PolarHBondContact O-N 3.27Å; M129-Y133 HydrophobicContact SD-CE2 4.38Å; A130-Y133 WeakPolarHBondContact O-CB 3.5Å; A130-Y133 PolarHBondContact O-N 2.95Å; A130-Y133 VanDerWaalsContact O-N 3.16Å; E131-Y133 VanDerWaalsContact C-N 3.35Å; E131-Y133 PolarHBondContact O-N 3.38Å; Y133-F135 VanDerWaalsContact C-N 3.28Å; Y133-F135 PolarHBondContact O-N 3.4Å; Y133-A136 PolarHBondContact O-N 3.25Å; Y133-L137 WeakPolarHBondContact O-CG 3.22Å; Y133-L137 PolarHBondContact O-N 2.99Å; Y133-I149 HydrophobicContact CD1-CG2 4.16Å; Y133-I149 HydrophobicContact CE1-CG2 4.43Å; Y133-E152 HydrophobicContact CE1-CB 4.48Å; Y133-Y153 VanDerWaalsContact CB-CD2 3.44Å; Y133-Y153 HydrophobicContact CD1-CD2 4.21Å; Y133-Y153 AromaticContact CD1-CG 3.95Å; Y133-Y153 HydrophobicContact CD1-CG 3.95Å; Y133-Y153 AromaticContact CD2-CD2 3.36Å; Y133-Y153 HydrophobicContact CD2-CD2 3.36Å; Y133-Y153 AromaticContact CD2-CE2 3.9Å; Y133-Y153 HydrophobicContact CD2-CE2 3.9Å; Y133-Y153 AromaticContact CD2-CG 3.97Å; Y133-Y153 HydrophobicContact CD2-CG 3.97Å; Y133-Y153 HydrophobicContact CE2-CD2 4.16Å; Y133-Y153 HydrophobicContact CG-CD1 4.22Å; Y133-Y153 AromaticContact CG-CD2 3.41Å; Y133-Y153 HydrophobicContact CG-CD2 3.41Å; Y133-Y153 VanDerWaalsContact CG-CD2 3.41Å; Y133-Y153 HydrophobicContact CG-CE2 4.01Å; Y133-Y153 AromaticContact CG-CG 3.55Å; Y133-Y153 HydrophobicContact CG-CG 3.55Å; Y133-F156 HydrophobicContact CD2-CD1 4.14Å; Y133-F156 HydrophobicContact CD2-CG 4.5Å; Y133-F156 HydrophobicContact CE2-CB 4.07Å; Y133-F156 HydrophobicContact CE2-CD1 4.08Å; Y133-F156 AromaticContact CE2-CG 3.98Å; Y133-F156 HydrophobicContact CE2-CG 3.98Å |
| 134 | D | 97.5 | Very high | 93.9 | Very high | 57 Ų | 57 | 45.3 Ų | 45.3 | 31% | 0.305 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -58.9 | -43.1 | 177.6 | -84.5 | -34.6 | 0 | 0 | 0 | 111.1 | A130 E131 L137 E138 Y153 | A130-D134 PolarHBondContact O-N 3.39Å; E131-D134 PolarHBondContact O-N 2.96Å; D134-L137 PolarHBondContact O-N 2.94Å; D134-E138 WeakPolarHBondContact O-CB 3.37Å; D134-E138 PolarHBondContact O-N 3.25Å; D134-Y153 PolarHBondContact OD2-OH 2.8Å |
| 135 | F | 96.2 | Very high | 94.6 | Very high | 73 Ų | 73 | 47.2 Ų | 47.2 | 32% | 0.32 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -64.4 | -43.3 | 175.2 | -175.1 | -121.1 | 0 | 0 | 0 | 112.5 | W108 E131 Y133 L137 E138 K139 | W108-F135 AromaticContact CH2-CD1 3.85Å; W108-F135 HydrophobicContact CH2-CD1 3.85Å; W108-F135 AromaticContact CH2-CE1 3.59Å; W108-F135 HydrophobicContact CH2-CE1 3.59Å; W108-F135 HydrophobicContact CH2-CZ 4.26Å; W108-F135 AromaticContact CZ3-CD1 3.89Å; W108-F135 HydrophobicContact CZ3-CD1 3.89Å; W108-F135 HydrophobicContact CZ3-CE1 4.07Å; E131-F135 WeakPolarHBondContact O-CB 3.45Å; E131-F135 PolarHBondContact O-N 2.99Å; Y133-F135 VanDerWaalsContact C-N 3.28Å; Y133-F135 PolarHBondContact O-N 3.4Å; F135-L137 PolarHBondContact O-N 2.61Å; F135-E138 WeakPolarHBondContact O-CB 3.2Å; F135-E138 PolarHBondContact O-N 3.29Å; F135-K139 HydrophobicContact CE2-CG 4.19Å; F135-K139 HydrophobicContact CZ-CG 4.27Å; F135-K139 WeakPolarHBondContact O-CG 3.45Å; F135-K139 PolarHBondContact O-N 3.44Å; F135-K139 VanDerWaalsContact O-N 3.13Å |
| 136 | A | 97.2 | Very high | 95.1 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -61.5 | -43.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | W108 L112 V132 Y133 E138 K139 V140 | W108-A136 HydrophobicContact CE3-CB 3.68Å; W108-A136 HydrophobicContact CZ3-CB 3.96Å; L112-A136 HydrophobicContact CD1-CB 4.15Å; L112-A136 HydrophobicContact CD2-CB 4.09Å; L112-A136 HydrophobicContact CG-CB 4.39Å; V132-A136 WeakPolarHBondContact O-CB 3.26Å; V132-A136 PolarHBondContact O-N 2.88Å; Y133-A136 PolarHBondContact O-N 3.25Å; A136-E138 VanDerWaalsContact C-N 3.33Å; A136-E138 PolarHBondContact O-N 2.91Å; A136-K139 PolarHBondContact O-N 3.07Å; A136-V140 WeakPolarHBondContact O-CG2 3.34Å; A136-V140 PolarHBondContact O-N 3.45Å |
| 137 | L | 98 | Very high | 95.6 | Very high | 3 Ų | 3 | 40.6 Ų | 40.6 | 2% | 0.016 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -68.6 | -31.4 | 177.1 | -70.2 | -180 | 0 | 0 | 0 | 112.4 | Y133 D134 F135 K139 G141 I149 Y150 Y153 R181 | Y133-L137 WeakPolarHBondContact O-CG 3.22Å; Y133-L137 PolarHBondContact O-N 2.99Å; D134-L137 PolarHBondContact O-N 2.94Å; F135-L137 PolarHBondContact O-N 2.61Å; L137-K139 VanDerWaalsContact C-N 3.27Å; L137-K139 PolarHBondContact O-N 3.32Å; L137-G141 WeakPolarHBondContact O-CA 3.22Å; L137-G141 PolarHBondContact O-N 3.45Å; L137-I149 HydrophobicContact CD2-CB 4.13Å; L137-I149 HydrophobicContact CD2-CG2 3.59Å; L137-I149 HydrophobicContact CG-CG2 4.09Å; L137-Y150 HydrophobicContact CD1-CD1 3.8Å; L137-Y150 HydrophobicContact CD1-CE1 3.65Å; L137-Y150 HydrophobicContact CD1-CG 4.49Å; L137-Y150 HydrophobicContact CD2-CD1 4.07Å; L137-Y150 HydrophobicContact CD2-CD2 3.78Å; L137-Y150 HydrophobicContact CD2-CE1 3.9Å; L137-Y150 HydrophobicContact CD2-CE2 3.55Å; L137-Y150 HydrophobicContact CD2-CG 4.04Å; L137-Y150 HydrophobicContact CG-CE1 4.36Å; L137-Y153 HydrophobicContact CD1-CD1 3.78Å; L137-Y153 HydrophobicContact CD1-CE1 4.32Å; L137-R181 PolarHBondContact O-NH2 3.48Å |
| 138 | E | 96.5 | Very high | 96.1 | Very high | 126 Ų | 126 | 39.7 Ų | 39.7 | 59% | 0.589 | 19% | 0.187 | S | C | * | . | H | α-helix | trans | -61 | -38 | 170.8 | -170.6 | -171.4 | 160.5 | 0 | 0 | 111.8 | D134 F135 A136 R181 | D134-E138 WeakPolarHBondContact O-CB 3.37Å; D134-E138 PolarHBondContact O-N 3.25Å; F135-E138 WeakPolarHBondContact O-CB 3.2Å; F135-E138 PolarHBondContact O-N 3.29Å; A136-E138 VanDerWaalsContact C-N 3.33Å; A136-E138 PolarHBondContact O-N 2.91Å; E138-R181 VanDerWaalsContact N-NH2 3.13Å |
| 139 | K | 96.4 | Very high | 96.6 | Very high | 54 Ų | 54 | 34.5 Ų | 34.5 | 24% | 0.235 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -88.2 | -41.1 | -175.6 | -65.2 | -60.5 | -177 | -172.5 | 0 | 114.6 | L103 W108 F135 A136 L137 F285 | L103-K139 HydrophobicContact CD2-CB 3.99Å; L103-K139 HydrophobicContact CD2-CD 4.38Å; W108-K139 HydrophobicContact CH2-CB 3.66Å; W108-K139 HydrophobicContact CH2-CG 3.53Å; W108-K139 HydrophobicContact CZ2-CB 3.39Å; W108-K139 HydrophobicContact CZ2-CG 3.6Å; W108-K139 HydrophobicContact CZ3-CB 4.41Å; F135-K139 HydrophobicContact CE2-CG 4.19Å; F135-K139 HydrophobicContact CZ-CG 4.27Å; F135-K139 WeakPolarHBondContact O-CG 3.45Å; F135-K139 PolarHBondContact O-N 3.44Å; F135-K139 VanDerWaalsContact O-N 3.13Å; A136-K139 PolarHBondContact O-N 3.07Å; L137-K139 VanDerWaalsContact C-N 3.27Å; L137-K139 PolarHBondContact O-N 3.32Å; K139-F285 VanDerWaalsContact O-CE2 3.27Å; K139-F285 WeakPolarHBondContact O-CE2 3.35Å |
| 140 | V | 97.5 | Very high | 96.9 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -129.4 | 10.6 | -174.5 | -64.1 | 0 | 0 | 0 | 0 | 114.1 | L103 I105 W108 A136 L142 D143 S146 I149 | L103-V140 HydrophobicContact CB-CG1 4.23Å; I105-V140 HydrophobicContact CD1-CB 4.16Å; I105-V140 HydrophobicContact CD1-CG2 3.94Å; W108-V140 HydrophobicContact CB-CG2 3.84Å; W108-V140 VanDerWaalsContact CD1-CG1 3.43Å; W108-V140 HydrophobicContact CD2-CG1 4.33Å; W108-V140 HydrophobicContact CD2-CG2 4.16Å; W108-V140 HydrophobicContact CG-CG1 3.88Å; W108-V140 HydrophobicContact CG-CG2 3.79Å; A136-V140 WeakPolarHBondContact O-CG2 3.34Å; A136-V140 PolarHBondContact O-N 3.45Å; V140-L142 PolarHBondContact O-N 3.01Å; V140-D143 WeakPolarHBondContact O-CB 3.39Å; V140-D143 PolarHBondContact O-N 2.96Å; V140-S146 WeakPolarHBondContact O-CB 3.36Å; V140-I149 HydrophobicContact CG2-CD1 3.86Å |
| 141 | G | 97.6 | Very high | 97.1 | Very high | 1 Ų | 1 | 35.4 Ų | 35.4 | 1% | 0.01 | 17% | 0.17 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65 | -26.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | L137 D143 S146 T185 | L137-G141 WeakPolarHBondContact O-CA 3.22Å; L137-G141 PolarHBondContact O-N 3.45Å; G141-D143 VanDerWaalsContact C-N 3.25Å; G141-D143 PolarHBondContact O-N 3.3Å; G141-S146 WeakPolarHBondContact O-CB 3.48Å; G141-S146 PolarHBondContact O-OG 3.21Å; G141-T185 WeakPolarHBondContact O-CG2 3.45Å |
| 142 | L | 97.8 | Very high | 97.3 | Very high | 35 Ų | 35 | 31.8 Ų | 31.8 | 18% | 0.183 | 15% | 0.153 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80 | -1.4 | 177.2 | -60.8 | 178.3 | 0 | 0 | 0 | 113.8 | V140 T185 K281 R282 F285 | V140-L142 PolarHBondContact O-N 3.01Å; L142-T185 HydrophobicContact CD2-CG2 4.19Å; L142-K281 HydrophobicContact CD1-CB 4.13Å; L142-R282 HydrophobicContact CD1-CG 4.1Å; L142-R282 HydrophobicContact CD2-CG 4.3Å; L142-F285 HydrophobicContact CB-CB 4.47Å; L142-F285 HydrophobicContact CB-CD1 3.8Å; L142-F285 HydrophobicContact CB-CD2 4.48Å; L142-F285 HydrophobicContact CB-CE1 4.17Å; L142-F285 HydrophobicContact CB-CG 3.99Å; L142-F285 HydrophobicContact CD1-CB 4.15Å; L142-F285 HydrophobicContact CD1-CG 4.47Å |
| 143 | D | 97.4 | Very high | 97.5 | Very high | 5 Ų | 5 | 31.2 Ų | 31.2 | 3% | 0.027 | 15% | 0.149 | C | C | . | . | S | Bend | trans | -68.3 | 141.7 | 176.4 | -165.6 | -88.5 | 0 | 0 | 0 | 111.7 | I105 V140 G141 Y145 S146 F285 | I105-D143 HydrophobicContact CD1-CB 4.37Å; V140-D143 WeakPolarHBondContact O-CB 3.39Å; V140-D143 PolarHBondContact O-N 2.96Å; G141-D143 VanDerWaalsContact C-N 3.25Å; G141-D143 PolarHBondContact O-N 3.3Å; D143-Y145 PolarHBondContact O-N 3.49Å; D143-Y145 VanDerWaalsContact O-N 3.08Å; D143-Y145 WeakPolarHBondContact OD1-CA 3.4Å; D143-Y145 WeakPolarHBondContact OD1-CB 3.49Å; D143-Y145 PolarHBondContact OD1-N 3.33Å; D143-S146 VanDerWaalsContact O-CB 3.24Å; D143-S146 WeakPolarHBondContact O-CB 2.99Å; D143-S146 PolarHBondContact O-N 3.03Å; D143-S146 PolarHBondContact O-OG 3.2Å; D143-F285 HydrophobicContact CB-CE1 4.05Å; D143-F285 HydrophobicContact CB-CZ 3.83Å |
| 144 | L | 95.6 | Very high | 97.5 | Very high | 2 Ų | 2 | 31.3 Ų | 31.3 | 1% | 0.01 | 15% | 0.149 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | -27.3 | 177.7 | -176.2 | 63.7 | 0 | 0 | 0 | 112.7 | I188 M230 E231 | L144-I188 HydrophobicContact CD1-CD1 4.19Å; L144-I188 HydrophobicContact CD1-CG1 3.82Å; L144-I188 HydrophobicContact CD2-CD1 3.86Å; L144-I188 HydrophobicContact CD2-CG1 4.4Å; L144-I188 HydrophobicContact CG-CD1 3.66Å; L144-I188 HydrophobicContact CG-CG1 3.82Å; L144-I188 PolarHBondContact O-N 2.91Å; L144-M230 HydrophobicContact CB-CE 4.46Å; L144-M230 HydrophobicContact CD1-CB 4.44Å; L144-M230 HydrophobicContact CD1-CG 4.21Å; L144-M230 HydrophobicContact CD1-SD 3.85Å; L144-E231 HydrophobicContact CD1-CG 4.33Å |
| 145 | Y | 96.5 | Very high | 97.5 | Very high | 99 Ų | 99 | 32.4 Ų | 32.4 | 39% | 0.388 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -107.6 | 21.7 | -178.8 | -55.1 | -81 | 0 | 0 | 0 | 113.4 | D143 S147 I188 | D143-Y145 PolarHBondContact O-N 3.49Å; D143-Y145 VanDerWaalsContact O-N 3.08Å; D143-Y145 WeakPolarHBondContact OD1-CA 3.4Å; D143-Y145 WeakPolarHBondContact OD1-CB 3.49Å; D143-Y145 PolarHBondContact OD1-N 3.33Å; Y145-S147 VanDerWaalsContact C-N 3.31Å; Y145-S147 PolarHBondContact O-N 2.78Å; Y145-I188 HydrophobicContact CD1-CD1 3.8Å; Y145-I188 HydrophobicContact CE1-CD1 3.32Å |
| 146 | S | 97.5 | Very high | 97.5 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 15% | 0.152 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.4 | -12.8 | -179.2 | 70.3 | 0 | 0 | 0 | 0 | 114.5 | V140 G141 D143 Q148 I149 Y150 M187 | V140-S146 WeakPolarHBondContact O-CB 3.36Å; G141-S146 WeakPolarHBondContact O-CB 3.48Å; G141-S146 PolarHBondContact O-OG 3.21Å; D143-S146 VanDerWaalsContact O-CB 3.24Å; D143-S146 WeakPolarHBondContact O-CB 2.99Å; D143-S146 PolarHBondContact O-N 3.03Å; D143-S146 PolarHBondContact O-OG 3.2Å; S146-Q148 VanDerWaalsContact C-N 3.25Å; S146-Q148 PolarHBondContact O-N 2.97Å; S146-Q148 VanDerWaalsContact O-N 3.11Å; S146-I149 WeakPolarHBondContact O-CB 3.37Å; S146-I149 PolarHBondContact O-N 3.25Å; S146-Y150 PolarHBondContact O-N 2.96Å; S146-M187 PolarHBondContact OG-SD 3.43Å |
| 147 | S | 97.7 | Very high | 97.4 | Very high | 10 Ų | 10 | 31 Ų | 31 | 7% | 0.07 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -51.8 | -39.4 | -174.6 | 50.2 | 0 | 0 | 0 | 0 | 114.2 | Y145 I149 Y150 S151 M187 I188 | Y145-S147 VanDerWaalsContact C-N 3.31Å; Y145-S147 PolarHBondContact O-N 2.78Å; S147-I149 VanDerWaalsContact C-N 3.3Å; S147-I149 PolarHBondContact O-N 3.35Å; S147-Y150 WeakPolarHBondContact O-CB 3.33Å; S147-Y150 PolarHBondContact O-N 3.48Å; S147-S151 PolarHBondContact O-N 3.18Å; S147-S151 PolarHBondContact O-OG 2.81Å; S147-M187 WeakPolarHBondContact CA-SD 3.5Å; S147-I188 WeakPolarHBondContact CB-O 3.44Å; S147-I188 PolarHBondContact OG-O 2.88Å |
| 148 | Q | 97.9 | Very high | 97.3 | Very high | 90 Ų | 90 | 34.7 Ų | 34.7 | 42% | 0.421 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -60.9 | -36.5 | 176.5 | -176 | -179.6 | -0.4 | 0 | 0 | 113 | S146 S151 E152 | S146-Q148 VanDerWaalsContact C-N 3.25Å; S146-Q148 PolarHBondContact O-N 2.97Å; S146-Q148 VanDerWaalsContact O-N 3.11Å; Q148-S151 PolarHBondContact O-N 3.22Å; Q148-E152 HydrophobicContact CG-CG 4.4Å; Q148-E152 PolarHBondContact NE2-OE1 3.33Å; Q148-E152 WeakPolarHBondContact O-CB 3.48Å; Q148-E152 WeakPolarHBondContact O-CG 3.39Å; Q148-E152 PolarHBondContact O-N 3.22Å |
| 149 | I | 98.4 | Very high | 97.1 | Very high | 2 Ų | 2 | 31.6 Ų | 31.6 | 1% | 0.01 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -66.7 | -41.6 | 177.6 | -61.5 | -177.1 | 0 | 0 | 0 | 109.8 | I105 K109 L112 Y133 L137 V140 S146 S147 Y153 | I105-I149 HydrophobicContact CD1-CD1 3.45Å; I105-I149 VanDerWaalsContact CD1-CD1 3.45Å; I105-I149 HydrophobicContact CD1-CG1 4.25Å; K109-I149 HydrophobicContact CG-CD1 4.23Å; K109-I149 HydrophobicContact CG-CG1 4.04Å; L112-I149 HydrophobicContact CD1-CB 4.5Å; L112-I149 HydrophobicContact CD1-CD1 4.02Å; L112-I149 HydrophobicContact CD1-CG1 4.04Å; L112-I149 HydrophobicContact CD1-CG2 3.8Å; Y133-I149 HydrophobicContact CD1-CG2 4.16Å; Y133-I149 HydrophobicContact CE1-CG2 4.43Å; L137-I149 HydrophobicContact CD2-CB 4.13Å; L137-I149 HydrophobicContact CD2-CG2 3.59Å; L137-I149 HydrophobicContact CG-CG2 4.09Å; V140-I149 HydrophobicContact CG2-CD1 3.86Å; S146-I149 WeakPolarHBondContact O-CB 3.37Å; S146-I149 PolarHBondContact O-N 3.25Å; S147-I149 VanDerWaalsContact C-N 3.3Å; S147-I149 PolarHBondContact O-N 3.35Å; I149-Y153 WeakPolarHBondContact O-CB 3.46Å; I149-Y153 PolarHBondContact O-N 2.83Å |
| 150 | Y | 98.6 | Very high | 96.9 | Very high | 1 Ų | 1 | 30.7 Ų | 30.7 | 0% | 0.004 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -61.2 | -50.9 | 174.5 | -75.9 | -82.7 | 0 | 0 | 0 | 111.8 | L137 S146 S147 E152 Y153 I154 V178 R181 A182 M187 | L137-Y150 HydrophobicContact CD1-CD1 3.8Å; L137-Y150 HydrophobicContact CD1-CE1 3.65Å; L137-Y150 HydrophobicContact CD1-CG 4.49Å; L137-Y150 HydrophobicContact CD2-CD1 4.07Å; L137-Y150 HydrophobicContact CD2-CD2 3.78Å; L137-Y150 HydrophobicContact CD2-CE1 3.9Å; L137-Y150 HydrophobicContact CD2-CE2 3.55Å; L137-Y150 HydrophobicContact CD2-CG 4.04Å; L137-Y150 HydrophobicContact CG-CE1 4.36Å; S146-Y150 PolarHBondContact O-N 2.96Å; S147-Y150 WeakPolarHBondContact O-CB 3.33Å; S147-Y150 PolarHBondContact O-N 3.48Å; Y150-E152 VanDerWaalsContact C-N 3.34Å; Y150-E152 PolarHBondContact O-N 3.43Å; Y150-Y153 PolarHBondContact O-N 2.82Å; Y150-Y153 VanDerWaalsContact O-N 3.17Å; Y150-I154 WeakPolarHBondContact O-CB 3.16Å; Y150-I154 WeakPolarHBondContact O-CD1 3.24Å; Y150-I154 VanDerWaalsContact O-CG1 3.29Å; Y150-I154 WeakPolarHBondContact O-CG1 3.41Å; Y150-I154 PolarHBondContact O-N 3.32Å; Y150-V178 HydrophobicContact CD1-CG1 3.96Å; Y150-R181 HydrophobicContact CE1-CB 4.27Å; Y150-R181 HydrophobicContact CE1-CG 4.03Å; Y150-A182 HydrophobicContact CD1-CB 3.51Å; Y150-A182 HydrophobicContact CE1-CB 3.85Å; Y150-A182 HydrophobicContact CG-CB 3.87Å; Y150-M187 HydrophobicContact CD2-CE 3.86Å; Y150-M187 HydrophobicContact CD2-SD 3.83Å; Y150-M187 HydrophobicContact CE2-CE 4.16Å; Y150-M187 HydrophobicContact CE2-SD 4.07Å; Y150-M187 HydrophobicContact CG-CE 4.3Å |
| 151 | S | 98.3 | Very high | 96.5 | Very high | 38 Ų | 38 | 34.7 Ų | 34.7 | 27% | 0.266 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -60.2 | -42.4 | 179 | -61.2 | 0 | 0 | 0 | 0 | 112.2 | S147 Q148 S155 | S147-S151 PolarHBondContact O-N 3.18Å; S147-S151 PolarHBondContact O-OG 2.81Å; Q148-S151 PolarHBondContact O-N 3.22Å; S151-S155 VanDerWaalsContact O-CB 3.3Å; S151-S155 WeakPolarHBondContact O-CB 3.5Å; S151-S155 PolarHBondContact O-N 3.22Å |
| 152 | E | 97.9 | Very high | 96.1 | Very high | 50 Ų | 50 | 35.8 Ų | 35.8 | 23% | 0.234 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -66.6 | -36 | 176.1 | -77.1 | -170.6 | -146.8 | 0 | 0 | 112.8 | R116 Y133 Q148 Y150 F156 | R116-E152 IonicContact CZ-OE2 2.81Å; R116-E152 IonicContact NH1-OE2 3.58Å; R116-E152 PolarHBondContact NH1-OE2 3.17Å; R116-E152 IonicContact NH2-OE2 3.45Å; R116-E152 PolarHBondContact NH2-OE2 3.28Å; R116-E152 VanDerWaalsContact NH2-OE2 3.11Å; Y133-E152 HydrophobicContact CE1-CB 4.48Å; Q148-E152 HydrophobicContact CG-CG 4.4Å; Q148-E152 PolarHBondContact NE2-OE1 3.33Å; Q148-E152 WeakPolarHBondContact O-CB 3.48Å; Q148-E152 WeakPolarHBondContact O-CG 3.39Å; Q148-E152 PolarHBondContact O-N 3.22Å; Y150-E152 VanDerWaalsContact C-N 3.34Å; Y150-E152 PolarHBondContact O-N 3.43Å; E152-F156 VanDerWaalsContact O-CB 3.27Å; E152-F156 WeakPolarHBondContact O-CB 3.48Å; E152-F156 PolarHBondContact O-N 2.88Å |
| 153 | Y | 98.4 | Very high | 95.8 | Very high | 10 Ų | 10 | 40.2 Ų | 40.2 | 4% | 0.039 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -69.7 | -45 | 176.7 | -174.3 | -160.5 | 0 | 0 | 0 | 111.5 | A130 Y133 D134 L137 I149 Y150 S155 F156 L157 V178 | A130-Y153 HydrophobicContact CB-CE2 4.18Å; Y133-Y153 VanDerWaalsContact CB-CD2 3.44Å; Y133-Y153 HydrophobicContact CD1-CD2 4.21Å; Y133-Y153 AromaticContact CD1-CG 3.95Å; Y133-Y153 HydrophobicContact CD1-CG 3.95Å; Y133-Y153 AromaticContact CD2-CD2 3.36Å; Y133-Y153 HydrophobicContact CD2-CD2 3.36Å; Y133-Y153 AromaticContact CD2-CE2 3.9Å; Y133-Y153 HydrophobicContact CD2-CE2 3.9Å; Y133-Y153 AromaticContact CD2-CG 3.97Å; Y133-Y153 HydrophobicContact CD2-CG 3.97Å; Y133-Y153 HydrophobicContact CE2-CD2 4.16Å; Y133-Y153 HydrophobicContact CG-CD1 4.22Å; Y133-Y153 AromaticContact CG-CD2 3.41Å; Y133-Y153 HydrophobicContact CG-CD2 3.41Å; Y133-Y153 VanDerWaalsContact CG-CD2 3.41Å; Y133-Y153 HydrophobicContact CG-CE2 4.01Å; Y133-Y153 AromaticContact CG-CG 3.55Å; Y133-Y153 HydrophobicContact CG-CG 3.55Å; D134-Y153 PolarHBondContact OD2-OH 2.8Å; L137-Y153 HydrophobicContact CD1-CD1 3.78Å; L137-Y153 HydrophobicContact CD1-CE1 4.32Å; I149-Y153 WeakPolarHBondContact O-CB 3.46Å; I149-Y153 PolarHBondContact O-N 2.83Å; Y150-Y153 PolarHBondContact O-N 2.82Å; Y150-Y153 VanDerWaalsContact O-N 3.17Å; Y153-S155 PolarHBondContact O-N 3.4Å; Y153-F156 HydrophobicContact CD2-CD1 4.1Å; Y153-F156 HydrophobicContact CE2-CD1 4.27Å; Y153-F156 WeakPolarHBondContact O-CB 3.31Å; Y153-F156 PolarHBondContact O-N 3.08Å; Y153-F156 VanDerWaalsContact O-N 3.17Å; Y153-L157 HydrophobicContact CD2-CD1 4.09Å; Y153-L157 HydrophobicContact CD2-CD2 4.46Å; Y153-L157 HydrophobicContact CD2-CG 3.88Å; Y153-L157 HydrophobicContact CE1-CD1 4.47Å; Y153-L157 HydrophobicContact CE2-CD1 3.71Å; Y153-L157 HydrophobicContact CE2-CD2 3.77Å; Y153-L157 HydrophobicContact CE2-CG 3.61Å; Y153-L157 WeakPolarHBondContact O-CG 3.27Å; Y153-L157 PolarHBondContact O-N 3.4Å; Y153-V178 HydrophobicContact CD1-CB 4.28Å; Y153-V178 HydrophobicContact CD1-CG1 3.62Å; Y153-V178 HydrophobicContact CD1-CG2 3.57Å; Y153-V178 HydrophobicContact CE1-CB 4.44Å; Y153-V178 HydrophobicContact CE1-CG1 4.22Å; Y153-V178 HydrophobicContact CE1-CG2 3.3Å; Y153-V178 HydrophobicContact CG-CG1 4.32Å; Y153-V178 HydrophobicContact CG-CG2 4.41Å |
| 154 | I | 98.4 | Very high | 95.6 | Very high | 2 Ų | 2 | 42 Ų | 42 | 1% | 0.01 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -59.5 | -47.2 | 174.8 | -70.5 | 160.9 | 0 | 0 | 0 | 110.4 | Y150 F156 L157 K158 I175 V178 Y179 | Y150-I154 WeakPolarHBondContact O-CB 3.16Å; Y150-I154 WeakPolarHBondContact O-CD1 3.24Å; Y150-I154 VanDerWaalsContact O-CG1 3.29Å; Y150-I154 WeakPolarHBondContact O-CG1 3.41Å; Y150-I154 PolarHBondContact O-N 3.32Å; I154-F156 VanDerWaalsContact C-N 3.28Å; I154-F156 PolarHBondContact O-N 3.4Å; I154-L157 PolarHBondContact O-N 2.86Å; I154-K158 HydrophobicContact CG2-CD 4.13Å; I154-K158 WeakPolarHBondContact O-CB 3.31Å; I154-K158 WeakPolarHBondContact O-CG 3.4Å; I154-K158 PolarHBondContact O-N 3.02Å; I154-I175 HydrophobicContact CG2-CG2 4.37Å; I154-V178 HydrophobicContact CD1-CG1 4.15Å; I154-V178 HydrophobicContact CG1-CB 4.11Å; I154-V178 HydrophobicContact CG1-CG1 3.65Å; I154-Y179 HydrophobicContact CD1-CD1 3.63Å; I154-Y179 HydrophobicContact CD1-CD2 4.39Å; I154-Y179 HydrophobicContact CD1-CE1 3.59Å; I154-Y179 HydrophobicContact CD1-CE2 4.35Å; I154-Y179 HydrophobicContact CD1-CG 4.05Å; I154-Y179 HydrophobicContact CG1-CE2 4.48Å; I154-Y179 HydrophobicContact CG2-CE1 4.32Å; I154-Y179 HydrophobicContact CG2-CE2 3.69Å; I154-Y179 WeakPolarHBondContact CG2-OH 3.5Å |
| 155 | S | 97.5 | Very high | 95.4 | Very high | 80 Ų | 80 | 46 Ų | 46 | 56% | 0.559 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -60.2 | -39.4 | 176.2 | 179.2 | 0 | 0 | 0 | 0 | 111.9 | S151 Y153 G159 | S151-S155 VanDerWaalsContact O-CB 3.3Å; S151-S155 WeakPolarHBondContact O-CB 3.5Å; S151-S155 PolarHBondContact O-N 3.22Å; Y153-S155 PolarHBondContact O-N 3.4Å; S155-G159 PolarHBondContact O-N 3.44Å |
| 156 | F | 95.6 | Very high | 95.3 | Very high | 29 Ų | 29 | 49.6 Ų | 49.6 | 13% | 0.127 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -63.4 | -48.2 | 176 | 167.4 | -97.5 | 0 | 0 | 0 | 111.7 | F125 R126 M129 A130 Y133 E152 Y153 I154 K158 G159 V160 | F125-F156 HydrophobicContact CE1-CE2 4.02Å; F125-F156 HydrophobicContact CZ-CE2 4.4Å; R126-F156 HydrophobicContact CB-CZ 4.41Å; M129-F156 HydrophobicContact CB-CE1 4.17Å; M129-F156 HydrophobicContact CB-CE2 3.97Å; M129-F156 HydrophobicContact CB-CZ 3.58Å; M129-F156 HydrophobicContact CG-CD2 4.26Å; M129-F156 HydrophobicContact CG-CE1 4.23Å; M129-F156 HydrophobicContact CG-CE2 3.8Å; M129-F156 HydrophobicContact CG-CZ 3.79Å; A130-F156 HydrophobicContact CB-CE1 4.31Å; Y133-F156 HydrophobicContact CD2-CD1 4.14Å; Y133-F156 HydrophobicContact CD2-CG 4.5Å; Y133-F156 HydrophobicContact CE2-CB 4.07Å; Y133-F156 HydrophobicContact CE2-CD1 4.08Å; Y133-F156 AromaticContact CE2-CG 3.98Å; Y133-F156 HydrophobicContact CE2-CG 3.98Å; E152-F156 VanDerWaalsContact O-CB 3.27Å; E152-F156 WeakPolarHBondContact O-CB 3.48Å; E152-F156 PolarHBondContact O-N 2.88Å; Y153-F156 HydrophobicContact CD2-CD1 4.1Å; Y153-F156 HydrophobicContact CE2-CD1 4.27Å; Y153-F156 WeakPolarHBondContact O-CB 3.31Å; Y153-F156 PolarHBondContact O-N 3.08Å; Y153-F156 VanDerWaalsContact O-N 3.17Å; I154-F156 VanDerWaalsContact C-N 3.28Å; I154-F156 PolarHBondContact O-N 3.4Å; F156-K158 PolarHBondContact O-N 3.31Å; F156-G159 PolarHBondContact O-N 3.06Å; F156-G159 VanDerWaalsContact O-N 3.09Å; F156-V160 PolarHBondContact O-N 3.26Å |
| 157 | L | 96.3 | Very high | 95.1 | Very high | 14 Ų | 14 | 51.1 Ų | 51.1 | 7% | 0.073 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -63.6 | -38.9 | 178.1 | -69.5 | 177.8 | 0 | 0 | 0 | 112.2 | Y153 I154 G159 V160 K171 A174 I175 V178 | Y153-L157 HydrophobicContact CD2-CD1 4.09Å; Y153-L157 HydrophobicContact CD2-CD2 4.46Å; Y153-L157 HydrophobicContact CD2-CG 3.88Å; Y153-L157 HydrophobicContact CE1-CD1 4.47Å; Y153-L157 HydrophobicContact CE2-CD1 3.71Å; Y153-L157 HydrophobicContact CE2-CD2 3.77Å; Y153-L157 HydrophobicContact CE2-CG 3.61Å; Y153-L157 WeakPolarHBondContact O-CG 3.27Å; Y153-L157 PolarHBondContact O-N 3.4Å; I154-L157 PolarHBondContact O-N 2.86Å; L157-G159 PolarHBondContact O-N 2.99Å; L157-V160 WeakPolarHBondContact O-CB 3.39Å; L157-V160 PolarHBondContact O-N 3.41Å; L157-V160 VanDerWaalsContact O-N 3.11Å; L157-K171 VanDerWaalsContact O-CE 3.25Å; L157-K171 WeakPolarHBondContact O-CE 3.45Å; L157-A174 HydrophobicContact CD1-CB 4.38Å; L157-I175 HydrophobicContact CB-CD1 4.33Å; L157-I175 HydrophobicContact CB-CG1 3.56Å; L157-I175 HydrophobicContact CD1-CG1 4.29Å; L157-V178 HydrophobicContact CD1-CG2 3.73Å |
| 158 | K | 95.7 | Very high | 95 | Very high | 81 Ų | 81 | 55.2 Ų | 55.2 | 35% | 0.352 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -59 | -33.6 | 173.1 | -75.9 | 176.8 | 179.5 | 178.6 | 0 | 112.3 | I154 F156 V160 K171 I175 Y179 | I154-K158 HydrophobicContact CG2-CD 4.13Å; I154-K158 WeakPolarHBondContact O-CB 3.31Å; I154-K158 WeakPolarHBondContact O-CG 3.4Å; I154-K158 PolarHBondContact O-N 3.02Å; F156-K158 PolarHBondContact O-N 3.31Å; K158-V160 VanDerWaalsContact C-N 3.33Å; K158-V160 PolarHBondContact O-N 3.09Å; K158-K171 VanDerWaalsContact O-CE 3.29Å; K158-K171 WeakPolarHBondContact O-CE 3.27Å; K158-K171 PolarHBondContact O-NZ 3.37Å; K158-I175 HydrophobicContact CG-CD1 3.81Å; K158-Y179 PolarHBondContact NZ-OH 2.92Å |
| 159 | G | 92.6 | Very high | 94.8 | Very high | 60 Ų | 60 | 55 Ų | 55 | 62% | 0.619 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.9 | -5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | S155 F156 L157 | S155-G159 PolarHBondContact O-N 3.44Å; F156-G159 PolarHBondContact O-N 3.06Å; F156-G159 VanDerWaalsContact O-N 3.09Å; L157-G159 PolarHBondContact O-N 2.99Å |
| 160 | V | 91.4 | Very high | 94.7 | Very high | 35 Ų | 35 | 59.8 Ų | 59.8 | 21% | 0.212 | 35% | 0.352 | C | S | . | . | S | Bend | trans | -73.4 | 123.1 | 176.5 | 177.3 | 0 | 0 | 0 | 0 | 109.4 | F156 L157 K158 A162 K171 | F156-V160 PolarHBondContact O-N 3.26Å; L157-V160 WeakPolarHBondContact O-CB 3.39Å; L157-V160 PolarHBondContact O-N 3.41Å; L157-V160 VanDerWaalsContact O-N 3.11Å; K158-V160 VanDerWaalsContact C-N 3.33Å; K158-V160 PolarHBondContact O-N 3.09Å; V160-A162 PolarHBondContact O-N 3.39Å; V160-K171 WeakPolarHBondContact O-CD 3.35Å; V160-K171 VanDerWaalsContact O-CE 3.27Å; V160-K171 WeakPolarHBondContact O-CE 3.32Å; V160-K171 PolarHBondContact O-NZ 2.87Å |
| 161 | P | 89.8 | Confident | 94.5 | Very high | 84 Ų | 84 | 62.6 Ų | 62.6 | 55% | 0.545 | 37% | 0.365 | S | S | . | . | trans | -67 | 133.2 | 174.6 | 28.7 | -32.9 | 0 | 0 | 0 | 109.3 | ||||
| 162 | A | 89.9 | Confident | 94.4 | Very high | 25 Ų | 25 | 62.3 Ų | 62.3 | 21% | 0.207 | 36% | 0.36 | C | S | . | . | trans | -135.7 | 126.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 106.8 | V160 A167 E168 K171 | V160-A162 PolarHBondContact O-N 3.39Å; A162-A167 HydrophobicContact CB-CB 4.08Å; A162-E168 HydrophobicContact CB-CG 4.15Å; A162-K171 HydrophobicContact CB-CB 4.18Å; A162-K171 HydrophobicContact CB-CD 3.89Å | ||
| 163 | T | 90.4 | Very high | 94.4 | Very high | 127 Ų | 127 | 63.1 Ų | 63.1 | 78% | 0.779 | 37% | 0.371 | S | S | * | . | trans | -123.7 | 125.1 | -179.1 | 49.5 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 164 | G | 92.9 | Very high | 94.3 | Very high | 43 Ų | 43 | 64.5 Ų | 64.5 | 44% | 0.443 | 38% | 0.384 | S | S | . | . | S | Bend | trans | 93.1 | 146.8 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y166 A167 E168 | G164-Y166 VanDerWaalsContact C-N 3.26Å; G164-Y166 PolarHBondContact O-N 3.12Å; G164-Y166 VanDerWaalsContact O-N 3.11Å; G164-A167 PolarHBondContact O-N 3.32Å; G164-A167 VanDerWaalsContact O-N 3.07Å; G164-E168 PolarHBondContact O-N 3.07Å |
| 165 | S | 92.8 | Very high | 94.3 | Very high | 85 Ų | 85 | 64.4 Ų | 64.4 | 59% | 0.594 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -50.6 | -41.3 | -171.4 | 176.5 | 0 | 0 | 0 | 0 | 113.5 | N169 | S165-N169 WeakPolarHBondContact O-CB 3.49Å; S165-N169 PolarHBondContact O-N 3.03Å; S165-N169 PolarHBondContact O-ND2 3.14Å; S165-N169 PolarHBondContact OG-ND2 2.92Å |
| 166 | Y | 94.2 | Very high | 94.3 | Very high | 175 Ų | 175 | 63 Ų | 63 | 69% | 0.686 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -63.7 | -49.3 | 179.1 | -179 | -104 | 0 | 0 | 0 | 112.9 | G164 N169 Q170 | G164-Y166 VanDerWaalsContact C-N 3.26Å; G164-Y166 PolarHBondContact O-N 3.12Å; G164-Y166 VanDerWaalsContact O-N 3.11Å; Y166-N169 PolarHBondContact O-N 3.39Å; Y166-Q170 HydrophobicContact CE1-CG 4.39Å; Y166-Q170 PolarHBondContact O-N 3.03Å; Y166-Q170 VanDerWaalsContact O-N 3.08Å; Y166-Q170 PolarHBondContact OH-NE2 3.39Å |
| 167 | A | 92.7 | Very high | 94.4 | Very high | 32 Ų | 32 | 68.5 Ų | 68.5 | 26% | 0.264 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -67.5 | -37.9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | A162 G164 Q170 K171 | A162-A167 HydrophobicContact CB-CB 4.08Å; G164-A167 PolarHBondContact O-N 3.32Å; G164-A167 VanDerWaalsContact O-N 3.07Å; A167-Q170 PolarHBondContact O-N 3.25Å; A167-K171 PolarHBondContact O-N 3.07Å |
| 168 | E | 94.6 | Very high | 94.5 | Very high | 97 Ų | 97 | 68.1 Ų | 68.1 | 45% | 0.453 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -62.8 | -44.3 | 175.5 | -72.3 | 170.6 | -167.1 | 0 | 0 | 111.4 | A162 G164 Q170 K171 I172 | A162-E168 HydrophobicContact CB-CG 4.15Å; G164-E168 PolarHBondContact O-N 3.07Å; E168-Q170 PolarHBondContact O-N 2.98Å; E168-K171 WeakPolarHBondContact O-CB 3.5Å; E168-K171 PolarHBondContact O-N 3.1Å; E168-I172 WeakPolarHBondContact O-CD1 3.06Å; E168-I172 VanDerWaalsContact O-CG1 3.26Å; E168-I172 WeakPolarHBondContact O-CG1 3.38Å; E168-I172 PolarHBondContact O-N 3.35Å |
| 169 | N | 95.4 | Very high | 94.6 | Very high | 86 Ų | 86 | 64.2 Ų | 64.2 | 46% | 0.46 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -64.6 | -36.4 | 176.4 | -79.4 | -52.4 | 0 | 0 | 0 | 113.2 | S165 Y166 S173 | S165-N169 WeakPolarHBondContact O-CB 3.49Å; S165-N169 PolarHBondContact O-N 3.03Å; S165-N169 PolarHBondContact O-ND2 3.14Å; S165-N169 PolarHBondContact OG-ND2 2.92Å; Y166-N169 PolarHBondContact O-N 3.39Å; N169-S173 WeakPolarHBondContact O-CB 3.24Å; N169-S173 PolarHBondContact O-N 3.36Å; N169-S173 PolarHBondContact O-OG 2.96Å |
| 170 | Q | 94.9 | Very high | 94.9 | Very high | 101 Ų | 101 | 63.6 Ų | 63.6 | 47% | 0.472 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -64.7 | -45.4 | 172.8 | -74.2 | -170 | -12.1 | 0 | 0 | 111.9 | Y166 A167 E168 I172 S173 A174 | Y166-Q170 HydrophobicContact CE1-CG 4.39Å; Y166-Q170 PolarHBondContact O-N 3.03Å; Y166-Q170 VanDerWaalsContact O-N 3.08Å; Y166-Q170 PolarHBondContact OH-NE2 3.39Å; A167-Q170 PolarHBondContact O-N 3.25Å; E168-Q170 PolarHBondContact O-N 2.98Å; Q170-I172 VanDerWaalsContact C-N 3.34Å; Q170-I172 PolarHBondContact O-N 2.8Å; Q170-S173 PolarHBondContact O-N 3.11Å; Q170-A174 WeakPolarHBondContact O-CB 3.29Å; Q170-A174 PolarHBondContact O-N 3.11Å |
| 171 | K | 95.4 | Very high | 95.2 | Very high | 60 Ų | 60 | 66.1 Ų | 66.1 | 26% | 0.261 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -59.2 | -45.7 | 175.9 | 177.4 | -177.5 | 175.1 | 177.2 | 0 | 111.3 | L157 K158 V160 A162 A167 E168 S173 A174 I175 | L157-K171 VanDerWaalsContact O-CE 3.25Å; L157-K171 WeakPolarHBondContact O-CE 3.45Å; K158-K171 VanDerWaalsContact O-CE 3.29Å; K158-K171 WeakPolarHBondContact O-CE 3.27Å; K158-K171 PolarHBondContact O-NZ 3.37Å; V160-K171 WeakPolarHBondContact O-CD 3.35Å; V160-K171 VanDerWaalsContact O-CE 3.27Å; V160-K171 WeakPolarHBondContact O-CE 3.32Å; V160-K171 PolarHBondContact O-NZ 2.87Å; A162-K171 HydrophobicContact CB-CB 4.18Å; A162-K171 HydrophobicContact CB-CD 3.89Å; A167-K171 PolarHBondContact O-N 3.07Å; E168-K171 WeakPolarHBondContact O-CB 3.5Å; E168-K171 PolarHBondContact O-N 3.1Å; K171-S173 PolarHBondContact O-N 3.43Å; K171-A174 PolarHBondContact O-N 3.27Å; K171-I175 HydrophobicContact CG-CD1 3.88Å; K171-I175 WeakPolarHBondContact O-CG1 3.42Å; K171-I175 PolarHBondContact O-N 3.31Å |
| 172 | I | 96.6 | Very high | 95.6 | Very high | 33 Ų | 33 | 62.1 Ų | 62.1 | 17% | 0.169 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -58 | -48.6 | 176 | -71.6 | 161.1 | 0 | 0 | 0 | 110.8 | E168 Q170 A174 I175 R176 Y200 V204 | E168-I172 WeakPolarHBondContact O-CD1 3.06Å; E168-I172 VanDerWaalsContact O-CG1 3.26Å; E168-I172 WeakPolarHBondContact O-CG1 3.38Å; E168-I172 PolarHBondContact O-N 3.35Å; Q170-I172 VanDerWaalsContact C-N 3.34Å; Q170-I172 PolarHBondContact O-N 2.8Å; I172-A174 VanDerWaalsContact C-N 3.34Å; I172-A174 PolarHBondContact O-N 2.66Å; I172-I175 PolarHBondContact O-N 3.05Å; I172-R176 VanDerWaalsContact CG2-NH2 3.32Å; I172-R176 VanDerWaalsContact O-CB 3.32Å; I172-R176 WeakPolarHBondContact O-CB 3.39Å; I172-R176 PolarHBondContact O-N 3.45Å; I172-Y200 WeakPolarHBondContact CA-OH 3.29Å; I172-V204 HydrophobicContact CD1-CG1 3.72Å; I172-V204 HydrophobicContact CG1-CG1 4.1Å; I172-V204 HydrophobicContact CG1-CG2 4.35Å; I172-V204 HydrophobicContact CG2-CG1 3.81Å; I172-V204 HydrophobicContact CG2-CG2 4.48Å |
| 173 | S | 96.7 | Very high | 96 | Very high | 67 Ų | 67 | 60.9 Ų | 60.9 | 47% | 0.469 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -61.9 | -40.2 | 179.5 | -59.8 | 0 | 0 | 0 | 0 | 112.4 | N169 Q170 K171 K177 | N169-S173 WeakPolarHBondContact O-CB 3.24Å; N169-S173 PolarHBondContact O-N 3.36Å; N169-S173 PolarHBondContact O-OG 2.96Å; Q170-S173 PolarHBondContact O-N 3.11Å; K171-S173 PolarHBondContact O-N 3.43Å; S173-K177 WeakPolarHBondContact O-CB 3.43Å; S173-K177 PolarHBondContact O-N 3.45Å |
| 174 | A | 96.5 | Very high | 96.3 | Very high | 38 Ų | 38 | 56.3 Ų | 56.3 | 31% | 0.314 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -64.8 | -47 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | L157 Q170 K171 I172 K177 V178 | L157-A174 HydrophobicContact CD1-CB 4.38Å; Q170-A174 WeakPolarHBondContact O-CB 3.29Å; Q170-A174 PolarHBondContact O-N 3.11Å; K171-A174 PolarHBondContact O-N 3.27Å; I172-A174 VanDerWaalsContact C-N 3.34Å; I172-A174 PolarHBondContact O-N 2.66Å; A174-K177 PolarHBondContact O-N 3.31Å; A174-V178 WeakPolarHBondContact O-CG2 3.28Å; A174-V178 PolarHBondContact O-N 3.19Å |
| 175 | I | 98.1 | Very high | 96.6 | Very high | 1 Ų | 1 | 54.8 Ų | 54.8 | 1% | 0.005 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -61.8 | -46 | 177.5 | -67.5 | 164.7 | 0 | 0 | 0 | 110.5 | I154 L157 K158 K171 I172 K177 V178 Y179 Y200 | I154-I175 HydrophobicContact CG2-CG2 4.37Å; L157-I175 HydrophobicContact CB-CD1 4.33Å; L157-I175 HydrophobicContact CB-CG1 3.56Å; L157-I175 HydrophobicContact CD1-CG1 4.29Å; K158-I175 HydrophobicContact CG-CD1 3.81Å; K171-I175 HydrophobicContact CG-CD1 3.88Å; K171-I175 WeakPolarHBondContact O-CG1 3.42Å; K171-I175 PolarHBondContact O-N 3.31Å; I172-I175 PolarHBondContact O-N 3.05Å; I175-K177 VanDerWaalsContact C-N 3.34Å; I175-K177 PolarHBondContact O-N 3.28Å; I175-V178 PolarHBondContact O-N 2.91Å; I175-Y179 HydrophobicContact CG2-CD2 3.64Å; I175-Y179 HydrophobicContact CG2-CE2 3.57Å; I175-Y179 PolarHBondContact O-N 3.29Å; I175-Y200 HydrophobicContact CB-CE1 4.14Å; I175-Y200 HydrophobicContact CD1-CE2 4.21Å; I175-Y200 WeakPolarHBondContact CD1-OH 3.26Å; I175-Y200 HydrophobicContact CG2-CD1 4.1Å; I175-Y200 HydrophobicContact CG2-CD2 4.47Å; I175-Y200 HydrophobicContact CG2-CE1 3.53Å; I175-Y200 HydrophobicContact CG2-CE2 3.96Å; I175-Y200 VanDerWaalsContact CG2-CZ 3.46Å |
| 176 | R | 97.7 | Very high | 96.8 | Very high | 49 Ų | 49 | 50.8 Ų | 50.8 | 19% | 0.185 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -59.3 | -43.4 | 178.5 | -175.6 | 176.6 | -62.9 | 118.9 | 0.1 | 112.1 | I172 V178 Y179 H180 E201 | I172-R176 VanDerWaalsContact CG2-NH2 3.32Å; I172-R176 VanDerWaalsContact O-CB 3.32Å; I172-R176 WeakPolarHBondContact O-CB 3.39Å; I172-R176 PolarHBondContact O-N 3.45Å; R176-V178 VanDerWaalsContact C-N 3.28Å; R176-V178 PolarHBondContact O-N 2.89Å; R176-Y179 PolarHBondContact O-N 2.89Å; R176-H180 WeakPolarHBondContact CG-NE2 3.39Å; R176-H180 WeakPolarHBondContact O-CB 3.44Å; R176-H180 PolarHBondContact O-CD2 3.26Å; R176-H180 PolarHBondContact O-N 3.01Å; R176-E201 IonicContact CZ-OE1 3.59Å; R176-E201 IonicContact CZ-OE2 3.56Å; R176-E201 IonicContact NE-OE1 2.79Å; R176-E201 PolarHBondContact NE-OE1 2.98Å; R176-E201 IonicContact NE-OE2 3.38Å; R176-E201 PolarHBondContact NE-OE2 3.43Å; R176-E201 IonicContact NH2-OE1 3.53Å; R176-E201 IonicContact NH2-OE2 2.84Å; R176-E201 PolarHBondContact NH2-OE2 3.38Å |
| 177 | K | 97.9 | Very high | 97 | Very high | 146 Ų | 146 | 42.4 Ų | 42.4 | 64% | 0.635 | 22% | 0.218 | S | C | * | . | H | α-helix | trans | -55.9 | -42.2 | 176.5 | -176.7 | -176.2 | 177.2 | -171.2 | 0 | 111.9 | S173 A174 I175 R181 | S173-K177 WeakPolarHBondContact O-CB 3.43Å; S173-K177 PolarHBondContact O-N 3.45Å; A174-K177 PolarHBondContact O-N 3.31Å; I175-K177 VanDerWaalsContact C-N 3.34Å; I175-K177 PolarHBondContact O-N 3.28Å; K177-R181 WeakPolarHBondContact O-CB 3.43Å; K177-R181 PolarHBondContact O-N 3.19Å; K177-R181 VanDerWaalsContact O-N 3.08Å |
| 178 | V | 98.4 | Very high | 97.2 | Very high | 5 Ų | 5 | 42.3 Ų | 42.3 | 3% | 0.03 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -70.2 | -43 | 178.4 | -176.6 | 0 | 0 | 0 | 0 | 111.5 | Y150 Y153 I154 L157 A174 I175 R176 H180 R181 A182 | Y150-V178 HydrophobicContact CD1-CG1 3.96Å; Y153-V178 HydrophobicContact CD1-CB 4.28Å; Y153-V178 HydrophobicContact CD1-CG1 3.62Å; Y153-V178 HydrophobicContact CD1-CG2 3.57Å; Y153-V178 HydrophobicContact CE1-CB 4.44Å; Y153-V178 HydrophobicContact CE1-CG1 4.22Å; Y153-V178 HydrophobicContact CE1-CG2 3.3Å; Y153-V178 HydrophobicContact CG-CG1 4.32Å; Y153-V178 HydrophobicContact CG-CG2 4.41Å; I154-V178 HydrophobicContact CD1-CG1 4.15Å; I154-V178 HydrophobicContact CG1-CB 4.11Å; I154-V178 HydrophobicContact CG1-CG1 3.65Å; L157-V178 HydrophobicContact CD1-CG2 3.73Å; A174-V178 WeakPolarHBondContact O-CG2 3.28Å; A174-V178 PolarHBondContact O-N 3.19Å; I175-V178 PolarHBondContact O-N 2.91Å; R176-V178 VanDerWaalsContact C-N 3.28Å; R176-V178 PolarHBondContact O-N 2.89Å; V178-H180 PolarHBondContact O-N 3.35Å; V178-R181 PolarHBondContact O-N 2.87Å; V178-A182 WeakPolarHBondContact O-CB 3.4Å; V178-A182 PolarHBondContact O-N 3.16Å |
| 179 | Y | 98.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -58.2 | -47.4 | 173.7 | -87.6 | -62.7 | 0 | 0 | 0 | 112.1 | I154 K158 I175 R176 R181 A182 I183 I193 E196 Y197 Y200 | I154-Y179 HydrophobicContact CD1-CD1 3.63Å; I154-Y179 HydrophobicContact CD1-CD2 4.39Å; I154-Y179 HydrophobicContact CD1-CE1 3.59Å; I154-Y179 HydrophobicContact CD1-CE2 4.35Å; I154-Y179 HydrophobicContact CD1-CG 4.05Å; I154-Y179 HydrophobicContact CG1-CE2 4.48Å; I154-Y179 HydrophobicContact CG2-CE1 4.32Å; I154-Y179 HydrophobicContact CG2-CE2 3.69Å; I154-Y179 WeakPolarHBondContact CG2-OH 3.5Å; K158-Y179 PolarHBondContact NZ-OH 2.92Å; I175-Y179 HydrophobicContact CG2-CD2 3.64Å; I175-Y179 HydrophobicContact CG2-CE2 3.57Å; I175-Y179 PolarHBondContact O-N 3.29Å; R176-Y179 PolarHBondContact O-N 2.89Å; Y179-R181 VanDerWaalsContact C-N 3.34Å; Y179-R181 PolarHBondContact O-N 3.22Å; Y179-A182 WeakPolarHBondContact O-CB 3.25Å; Y179-A182 PolarHBondContact O-N 3.26Å; Y179-A182 VanDerWaalsContact O-N 3.15Å; Y179-I183 WeakPolarHBondContact O-CB 3.47Å; Y179-I183 WeakPolarHBondContact O-CD1 3.2Å; Y179-I183 VanDerWaalsContact O-CG1 3.24Å; Y179-I183 WeakPolarHBondContact O-CG1 3.14Å; Y179-I183 PolarHBondContact O-N 3.08Å; Y179-I193 HydrophobicContact CD1-CG2 3.87Å; Y179-I193 HydrophobicContact CE1-CG2 4.1Å; Y179-E196 HydrophobicContact CE1-CB 4.12Å; Y179-Y197 HydrophobicContact CD1-CD2 4.16Å; Y179-Y197 HydrophobicContact CD1-CG 4.36Å; Y179-Y197 HydrophobicContact CD2-CD2 4.05Å; Y179-Y197 AromaticContact CG-CD2 3.7Å; Y179-Y197 HydrophobicContact CG-CD2 3.7Å; Y179-Y197 HydrophobicContact CG-CG 4.35Å; Y179-Y200 HydrophobicContact CD2-CD1 4Å; Y179-Y200 HydrophobicContact CD2-CE1 4.49Å; Y179-Y200 AromaticContact CE2-CD1 3.78Å; Y179-Y200 HydrophobicContact CE2-CD1 3.78Å; Y179-Y200 HydrophobicContact CE2-CE1 4.45Å; Y179-Y200 AromaticContact CE2-CG 3.84Å; Y179-Y200 HydrophobicContact CE2-CG 3.84Å |
| 180 | H | 98.4 | Very high | 97.4 | Very high | 47 Ų | 47 | 38.3 Ų | 38.3 | 22% | 0.218 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -61.6 | -43 | 179.5 | -71.4 | -170.1 | 0 | 0 | 0 | 111.6 | R176 V178 A182 I183 A184 Y197 K216 | R176-H180 WeakPolarHBondContact CG-NE2 3.39Å; R176-H180 WeakPolarHBondContact O-CB 3.44Å; R176-H180 PolarHBondContact O-CD2 3.26Å; R176-H180 PolarHBondContact O-N 3.01Å; V178-H180 PolarHBondContact O-N 3.35Å; H180-A182 VanDerWaalsContact C-N 3.32Å; H180-A182 PolarHBondContact O-N 2.85Å; H180-I183 PolarHBondContact O-N 3.04Å; H180-A184 WeakPolarHBondContact O-CB 3.37Å; H180-A184 PolarHBondContact O-N 3.33Å; H180-Y197 AromaticContact CD2-CE2 3.79Å; H180-Y197 AromaticContact CD2-CZ 3.94Å; H180-Y197 AromaticContact NE2-CE2 3.68Å; H180-Y197 AromaticContact NE2-CZ 3.59Å; H180-Y197 PolarHBondContact NE2-OH 3.36Å; H180-K216 VanDerWaalsContact CE1-CE 3.47Å; H180-K216 WeakPolarHBondContact CE1-CE 3.48Å; H180-K216 VanDerWaalsContact ND1-CE 3.28Å; H180-K216 WeakPolarHBondContact ND1-CE 3.42Å |
| 181 | R | 98.1 | Very high | 97.5 | Very high | 87 Ų | 87 | 35.5 Ų | 35.5 | 33% | 0.328 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -61.1 | -40.7 | 174.2 | -173.3 | -178 | 178.2 | 173.8 | 3.2 | 112.2 | L137 E138 Y150 K177 V178 Y179 T185 | L137-R181 PolarHBondContact O-NH2 3.48Å; E138-R181 VanDerWaalsContact N-NH2 3.13Å; Y150-R181 HydrophobicContact CE1-CB 4.27Å; Y150-R181 HydrophobicContact CE1-CG 4.03Å; K177-R181 WeakPolarHBondContact O-CB 3.43Å; K177-R181 PolarHBondContact O-N 3.19Å; K177-R181 VanDerWaalsContact O-N 3.08Å; V178-R181 PolarHBondContact O-N 2.87Å; Y179-R181 VanDerWaalsContact C-N 3.34Å; Y179-R181 PolarHBondContact O-N 3.22Å; R181-T185 PolarHBondContact O-N 3.26Å; R181-T185 PolarHBondContact O-OG1 2.85Å |
| 182 | A | 98.3 | Very high | 97.6 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -65 | -47.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y150 V178 Y179 H180 A184 T185 M187 L190 I193 | Y150-A182 HydrophobicContact CD1-CB 3.51Å; Y150-A182 HydrophobicContact CE1-CB 3.85Å; Y150-A182 HydrophobicContact CG-CB 3.87Å; V178-A182 WeakPolarHBondContact O-CB 3.4Å; V178-A182 PolarHBondContact O-N 3.16Å; Y179-A182 WeakPolarHBondContact O-CB 3.25Å; Y179-A182 PolarHBondContact O-N 3.26Å; Y179-A182 VanDerWaalsContact O-N 3.15Å; H180-A182 VanDerWaalsContact C-N 3.32Å; H180-A182 PolarHBondContact O-N 2.85Å; A182-A184 VanDerWaalsContact C-N 3.26Å; A182-A184 PolarHBondContact O-N 2.62Å; A182-T185 PolarHBondContact O-N 3.43Å; A182-M187 HydrophobicContact CB-CE 3.7Å; A182-M187 WeakPolarHBondContact O-CE 3.47Å; A182-L190 VanDerWaalsContact O-CD1 3.31Å; A182-L190 WeakPolarHBondContact O-CD1 3.49Å; A182-I193 HydrophobicContact CB-CD1 4.44Å; A182-I193 HydrophobicContact CB-CG2 3.86Å |
| 183 | I | 98.3 | Very high | 97.7 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -61.1 | -35.3 | -179.4 | -71.6 | 163.5 | 0 | 0 | 0 | 112 | Y179 H180 T185 W194 Y197 S223 | Y179-I183 WeakPolarHBondContact O-CB 3.47Å; Y179-I183 WeakPolarHBondContact O-CD1 3.2Å; Y179-I183 VanDerWaalsContact O-CG1 3.24Å; Y179-I183 WeakPolarHBondContact O-CG1 3.14Å; Y179-I183 PolarHBondContact O-N 3.08Å; H180-I183 PolarHBondContact O-N 3.04Å; I183-T185 VanDerWaalsContact C-N 3.26Å; I183-T185 PolarHBondContact O-N 2.95Å; I183-W194 HydrophobicContact CD1-CE3 3.81Å; I183-W194 HydrophobicContact CD1-CZ3 4.01Å; I183-W194 HydrophobicContact CG1-CE3 4.09Å; I183-W194 HydrophobicContact CG2-CE3 4.31Å; I183-W194 HydrophobicContact CG2-CZ3 4.34Å; I183-Y197 HydrophobicContact CD1-CD1 3.59Å; I183-Y197 HydrophobicContact CD1-CD2 4.13Å; I183-Y197 HydrophobicContact CD1-CE1 4.06Å; I183-Y197 HydrophobicContact CD1-CG 3.63Å; I183-S223 WeakPolarHBondContact O-CB 3.36Å; I183-S223 PolarHBondContact O-OG 2.95Å |
| 184 | A | 97 | Very high | 97.8 | Very high | 30 Ų | 30 | 34.3 Ų | 34.3 | 25% | 0.248 | 17% | 0.168 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78 | -4.9 | 176 | 0 | 0 | 0 | 0 | 0 | 114.3 | H180 A182 E219 S223 | H180-A184 WeakPolarHBondContact O-CB 3.37Å; H180-A184 PolarHBondContact O-N 3.33Å; A182-A184 VanDerWaalsContact C-N 3.26Å; A182-A184 PolarHBondContact O-N 2.62Å; A184-E219 HydrophobicContact CB-CG 4.09Å; A184-E219 WeakPolarHBondContact CB-OE1 3.46Å; A184-S223 PolarHBondContact O-OG 2.86Å |
| 185 | T | 97.9 | Very high | 97.9 | Very high | 12 Ų | 12 | 36.4 Ų | 36.4 | 7% | 0.074 | 18% | 0.176 | C | C | . | . | S | Bend | trans | -109.9 | 114 | -175.2 | -56.4 | 0 | 0 | 0 | 0 | 110.7 | G141 L142 R181 A182 I183 M187 | G141-T185 WeakPolarHBondContact O-CG2 3.45Å; L142-T185 HydrophobicContact CD2-CG2 4.19Å; R181-T185 PolarHBondContact O-N 3.26Å; R181-T185 PolarHBondContact O-OG1 2.85Å; A182-T185 PolarHBondContact O-N 3.43Å; I183-T185 VanDerWaalsContact C-N 3.26Å; I183-T185 PolarHBondContact O-N 2.95Å; T185-M187 PolarHBondContact O-N 2.68Å; T185-M187 VanDerWaalsContact O-N 3.13Å |
| 186 | P | 98.1 | Very high | 97.9 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 19% | 0.189 | C | C | . | . | trans | -59.8 | 113.5 | 172.6 | -24.4 | 33.2 | 0 | 0 | 0 | 112 | V226 L271 | P186-V226 HydrophobicContact CB-CB 4.17Å; P186-V226 HydrophobicContact CB-CG1 3.86Å; P186-V226 HydrophobicContact CG-CB 3.92Å; P186-V226 HydrophobicContact CG-CG1 3.64Å; P186-L271 HydrophobicContact CG-CD1 4.26Å; P186-L271 HydrophobicContact CG-CD2 3.83Å; P186-L271 HydrophobicContact CG-CG 4.28Å | ||
| 187 | M | 97.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 18% | 0.18 | C | C | . | . | trans | -153 | 166.4 | 178.7 | 60 | -179.6 | 159.1 | 0 | 0 | 111.9 | S146 S147 Y150 A182 T185 L190 I193 S227 | S146-M187 PolarHBondContact OG-SD 3.43Å; S147-M187 WeakPolarHBondContact CA-SD 3.5Å; Y150-M187 HydrophobicContact CD2-CE 3.86Å; Y150-M187 HydrophobicContact CD2-SD 3.83Å; Y150-M187 HydrophobicContact CE2-CE 4.16Å; Y150-M187 HydrophobicContact CE2-SD 4.07Å; Y150-M187 HydrophobicContact CG-CE 4.3Å; A182-M187 HydrophobicContact CB-CE 3.7Å; A182-M187 WeakPolarHBondContact O-CE 3.47Å; T185-M187 PolarHBondContact O-N 2.68Å; T185-M187 VanDerWaalsContact O-N 3.13Å; M187-L190 HydrophobicContact CE-CD1 3.9Å; M187-L190 HydrophobicContact CG-CB 4.41Å; M187-L190 HydrophobicContact CG-CD1 4.38Å; M187-L190 WeakPolarHBondContact O-CB 3.5Å; M187-I193 HydrophobicContact CE-CD1 3.44Å; M187-I193 VanDerWaalsContact CE-CD1 3.44Å; M187-I193 HydrophobicContact SD-CD1 4.33Å; M187-S227 WeakPolarHBondContact O-CB 3.19Å | ||
| 188 | I | 96.2 | Very high | 97.9 | Very high | 30 Ų | 30 | 30.9 Ų | 30.9 | 15% | 0.154 | 16% | 0.157 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.7 | 143.7 | 172.7 | -71.2 | 168.3 | 0 | 0 | 0 | 109.9 | L144 Y145 S147 L190 E231 | L144-I188 HydrophobicContact CD1-CD1 4.19Å; L144-I188 HydrophobicContact CD1-CG1 3.82Å; L144-I188 HydrophobicContact CD2-CD1 3.86Å; L144-I188 HydrophobicContact CD2-CG1 4.4Å; L144-I188 HydrophobicContact CG-CD1 3.66Å; L144-I188 HydrophobicContact CG-CG1 3.82Å; L144-I188 PolarHBondContact O-N 2.91Å; Y145-I188 HydrophobicContact CD1-CD1 3.8Å; Y145-I188 HydrophobicContact CE1-CD1 3.32Å; S147-I188 WeakPolarHBondContact CB-O 3.44Å; S147-I188 PolarHBondContact OG-O 2.88Å; I188-L190 VanDerWaalsContact C-N 3.26Å; I188-L190 PolarHBondContact O-N 3.47Å; I188-E231 HydrophobicContact CD1-CG 4.29Å; I188-E231 HydrophobicContact CG1-CG 3.99Å |
| 189 | N | 96.6 | Very high | 97.9 | Very high | 99 Ų | 99 | 35.3 Ų | 35.3 | 53% | 0.529 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 65.3 | 24.2 | -175.4 | -53.7 | -31.5 | 0 | 0 | 0 | 114 | E191 Q192 I193 | N189-E191 PolarHBondContact O-N 3.46Å; N189-Q192 HydrophobicContact CB-CB 4.47Å; N189-Q192 WeakPolarHBondContact O-CB 3.45Å; N189-Q192 PolarHBondContact O-N 3.33Å; N189-I193 PolarHBondContact O-N 3.17Å |
| 190 | L | 97.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -60.9 | -36.2 | 174.5 | -176.9 | 64.3 | 0 | 0 | 0 | 111.8 | A182 M187 I188 Q192 I193 W194 Y220 R224 | A182-L190 VanDerWaalsContact O-CD1 3.31Å; A182-L190 WeakPolarHBondContact O-CD1 3.49Å; M187-L190 HydrophobicContact CE-CD1 3.9Å; M187-L190 HydrophobicContact CG-CB 4.41Å; M187-L190 HydrophobicContact CG-CD1 4.38Å; M187-L190 WeakPolarHBondContact O-CB 3.5Å; I188-L190 VanDerWaalsContact C-N 3.26Å; I188-L190 PolarHBondContact O-N 3.47Å; L190-Q192 VanDerWaalsContact C-N 3.28Å; L190-Q192 PolarHBondContact O-N 3Å; L190-I193 PolarHBondContact O-N 3.21Å; L190-W194 PolarHBondContact O-N 2.88Å; L190-Y220 HydrophobicContact CD2-CD2 4.3Å; L190-Y220 HydrophobicContact CD2-CE2 4.45Å; L190-Y220 HydrophobicContact CG-CD2 4.25Å; L190-Y220 HydrophobicContact CG-CE2 4.19Å; L190-R224 HydrophobicContact CD2-CB 4.31Å |
| 191 | E | 97.5 | Very high | 97.9 | Very high | 42 Ų | 42 | 34 Ų | 34 | 20% | 0.196 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -61.4 | -37.2 | 178.3 | -62.2 | 90.7 | 157.4 | 0 | 0 | 112.1 | N189 W194 V195 Y220 R224 R228 | N189-E191 PolarHBondContact O-N 3.46Å; E191-W194 WeakPolarHBondContact O-CB 3.23Å; E191-W194 PolarHBondContact O-N 3Å; E191-V195 WeakPolarHBondContact O-CG2 3.47Å; E191-V195 PolarHBondContact O-N 3.18Å; E191-Y220 WeakPolarHBondContact CG-OH 3.41Å; E191-R224 HydrophobicContact CG-CG 4.29Å; E191-R228 IonicContact OE1-CZ 3.26Å; E191-R228 IonicContact OE1-NE 3.56Å; E191-R228 PolarHBondContact OE1-NE 2.86Å; E191-R228 IonicContact OE1-NH2 2.71Å; E191-R228 PolarHBondContact OE1-NH2 2.86Å; E191-R228 IonicContact OE2-NH2 3.37Å |
| 192 | Q | 98.1 | Very high | 97.8 | Very high | 103 Ų | 103 | 35.3 Ų | 35.3 | 48% | 0.481 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -64.4 | -44.9 | 176 | 179.7 | 59 | 34 | 0 | 0 | 111 | N189 L190 W194 V195 E196 | N189-Q192 HydrophobicContact CB-CB 4.47Å; N189-Q192 WeakPolarHBondContact O-CB 3.45Å; N189-Q192 PolarHBondContact O-N 3.33Å; L190-Q192 VanDerWaalsContact C-N 3.28Å; L190-Q192 PolarHBondContact O-N 3Å; Q192-W194 VanDerWaalsContact C-N 3.29Å; Q192-W194 PolarHBondContact O-N 3.23Å; Q192-V195 PolarHBondContact O-N 2.82Å; Q192-E196 WeakPolarHBondContact CG-OE1 3.49Å; Q192-E196 PolarHBondContact NE2-OE1 2.87Å; Q192-E196 WeakPolarHBondContact O-CG 3.43Å; Q192-E196 PolarHBondContact O-N 2.88Å |
| 193 | I | 98.2 | Very high | 97.7 | Very high | 1 Ų | 1 | 39.5 Ų | 39.5 | 1% | 0.005 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -63.9 | -36.7 | 177.4 | -66.2 | 171.3 | 0 | 0 | 0 | 111 | Y179 A182 M187 N189 L190 E196 Y197 | Y179-I193 HydrophobicContact CD1-CG2 3.87Å; Y179-I193 HydrophobicContact CE1-CG2 4.1Å; A182-I193 HydrophobicContact CB-CD1 4.44Å; A182-I193 HydrophobicContact CB-CG2 3.86Å; M187-I193 HydrophobicContact CE-CD1 3.44Å; M187-I193 VanDerWaalsContact CE-CD1 3.44Å; M187-I193 HydrophobicContact SD-CD1 4.33Å; N189-I193 PolarHBondContact O-N 3.17Å; L190-I193 PolarHBondContact O-N 3.21Å; I193-E196 PolarHBondContact O-N 3.23Å; I193-Y197 WeakPolarHBondContact O-CB 3.45Å; I193-Y197 PolarHBondContact O-N 3.16Å |
| 194 | W | 98.4 | Very high | 97.6 | Very high | 31 Ų | 31 | 41.8 Ų | 41.8 | 12% | 0.117 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -64.2 | -45.1 | 175.6 | 174.6 | -102.4 | 0 | 0 | 0 | 112.8 | I183 L190 E191 Q192 E196 Y197 C198 I213 K216 Y220 | I183-W194 HydrophobicContact CD1-CE3 3.81Å; I183-W194 HydrophobicContact CD1-CZ3 4.01Å; I183-W194 HydrophobicContact CG1-CE3 4.09Å; I183-W194 HydrophobicContact CG2-CE3 4.31Å; I183-W194 HydrophobicContact CG2-CZ3 4.34Å; L190-W194 PolarHBondContact O-N 2.88Å; E191-W194 WeakPolarHBondContact O-CB 3.23Å; E191-W194 PolarHBondContact O-N 3Å; Q192-W194 VanDerWaalsContact C-N 3.29Å; Q192-W194 PolarHBondContact O-N 3.23Å; W194-E196 VanDerWaalsContact C-N 3.32Å; W194-E196 PolarHBondContact O-N 3.37Å; W194-Y197 HydrophobicContact CE3-CD1 4.06Å; W194-Y197 HydrophobicContact CH2-CD1 4.48Å; W194-Y197 AromaticContact CZ3-CD1 3.86Å; W194-Y197 HydrophobicContact CZ3-CD1 3.86Å; W194-Y197 HydrophobicContact CZ3-CE1 4.08Å; W194-Y197 WeakPolarHBondContact O-CB 3.47Å; W194-Y197 PolarHBondContact O-N 3.13Å; W194-C198 VanDerWaalsContact CE2-SG 3.57Å; W194-C198 PolarHBondContact O-N 3.34Å; W194-C198 PolarHBondContact O-SG 3.33Å; W194-I213 HydrophobicContact CH2-CG2 3.82Å; W194-I213 HydrophobicContact CZ2-CG2 3.71Å; W194-K216 HydrophobicContact CH2-CB 4.42Å; W194-K216 HydrophobicContact CZ3-CB 4.06Å; W194-Y220 HydrophobicContact CB-CD2 3.74Å; W194-Y220 HydrophobicContact CB-CE1 4.33Å; W194-Y220 HydrophobicContact CB-CE2 3.37Å; W194-Y220 HydrophobicContact CB-CG 4.36Å; W194-Y220 AromaticContact CD1-CE1 3.52Å; W194-Y220 AromaticContact CD1-CZ 3.56Å; W194-Y220 AromaticContact CD2-CD1 3.55Å; W194-Y220 HydrophobicContact CD2-CD1 3.55Å; W194-Y220 AromaticContact CD2-CD2 3.86Å; W194-Y220 HydrophobicContact CD2-CD2 3.86Å; W194-Y220 AromaticContact CD2-CE1 3.84Å; W194-Y220 HydrophobicContact CD2-CE1 3.84Å; W194-Y220 HydrophobicContact CD2-CE2 4.14Å; W194-Y220 AromaticContact CD2-CG 3.54Å; W194-Y220 HydrophobicContact CD2-CG 3.54Å; W194-Y220 AromaticContact CE2-CD1 3.63Å; W194-Y220 AromaticContact CE2-CE1 3.86Å; W194-Y220 AromaticContact CE3-CD1 3.99Å; W194-Y220 HydrophobicContact CE3-CD1 3.99Å; W194-Y220 AromaticContact CE3-CD2 3.93Å; W194-Y220 HydrophobicContact CE3-CD2 3.93Å; W194-Y220 AromaticContact CE3-CG 3.56Å; W194-Y220 HydrophobicContact CE3-CG 3.56Å; W194-Y220 AromaticContact CG-CD1 3.85Å; W194-Y220 HydrophobicContact CG-CD1 3.85Å; W194-Y220 AromaticContact CG-CD2 3.79Å; W194-Y220 HydrophobicContact CG-CD2 3.79Å; W194-Y220 AromaticContact CG-CE1 3.62Å; W194-Y220 HydrophobicContact CG-CE1 3.62Å; W194-Y220 AromaticContact CG-CE2 3.57Å; W194-Y220 HydrophobicContact CG-CE2 3.57Å; W194-Y220 AromaticContact CG-CG 3.9Å; W194-Y220 HydrophobicContact CG-CG 3.9Å; W194-Y220 AromaticContact CG-CZ 3.46Å; W194-Y220 VanDerWaalsContact CG-CZ 3.46Å; W194-Y220 HydrophobicContact CH2-CD1 4.49Å; W194-Y220 HydrophobicContact CZ2-CD1 4.12Å; W194-Y220 HydrophobicContact CZ3-CD1 4.43Å; W194-Y220 HydrophobicContact CZ3-CG 4.1Å; W194-Y220 AromaticContact NE1-CD1 3.92Å; W194-Y220 AromaticContact NE1-CE1 3.65Å |
| 195 | V | 98.4 | Very high | 97.4 | Very high | 82 Ų | 82 | 43.1 Ų | 43.1 | 50% | 0.497 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -59.9 | -45.8 | 175.3 | 171.4 | 0 | 0 | 0 | 0 | 110.2 | E191 Q192 Y197 C198 V199 | E191-V195 WeakPolarHBondContact O-CG2 3.47Å; E191-V195 PolarHBondContact O-N 3.18Å; Q192-V195 PolarHBondContact O-N 2.82Å; V195-Y197 VanDerWaalsContact C-N 3.34Å; V195-Y197 PolarHBondContact O-N 3.11Å; V195-C198 PolarHBondContact O-N 2.95Å; V195-V199 WeakPolarHBondContact O-CG2 3.42Å; V195-V199 PolarHBondContact O-N 3.29Å |
| 196 | E | 98.3 | Very high | 97.2 | Very high | 56 Ų | 56 | 49.9 Ų | 49.9 | 26% | 0.262 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -62.9 | -37.4 | 177.3 | -72.2 | 173.2 | -162 | 0 | 0 | 113.2 | Y179 Q192 I193 W194 Y200 | Y179-E196 HydrophobicContact CE1-CB 4.12Å; Q192-E196 WeakPolarHBondContact CG-OE1 3.49Å; Q192-E196 PolarHBondContact NE2-OE1 2.87Å; Q192-E196 WeakPolarHBondContact O-CG 3.43Å; Q192-E196 PolarHBondContact O-N 2.88Å; I193-E196 PolarHBondContact O-N 3.23Å; W194-E196 VanDerWaalsContact C-N 3.32Å; W194-E196 PolarHBondContact O-N 3.37Å; E196-Y200 WeakPolarHBondContact O-CB 3.3Å; E196-Y200 PolarHBondContact O-N 2.95Å |
| 197 | Y | 98.4 | Very high | 97.1 | Very high | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -63.1 | -45.7 | 173.3 | 172.5 | -110.8 | 0 | 0 | 0 | 111.6 | Y179 H180 I183 I193 W194 V195 V199 Y200 E201 L212 I213 K216 | Y179-Y197 HydrophobicContact CD1-CD2 4.16Å; Y179-Y197 HydrophobicContact CD1-CG 4.36Å; Y179-Y197 HydrophobicContact CD2-CD2 4.05Å; Y179-Y197 AromaticContact CG-CD2 3.7Å; Y179-Y197 HydrophobicContact CG-CD2 3.7Å; Y179-Y197 HydrophobicContact CG-CG 4.35Å; H180-Y197 AromaticContact CD2-CE2 3.79Å; H180-Y197 AromaticContact CD2-CZ 3.94Å; H180-Y197 AromaticContact NE2-CE2 3.68Å; H180-Y197 AromaticContact NE2-CZ 3.59Å; H180-Y197 PolarHBondContact NE2-OH 3.36Å; I183-Y197 HydrophobicContact CD1-CD1 3.59Å; I183-Y197 HydrophobicContact CD1-CD2 4.13Å; I183-Y197 HydrophobicContact CD1-CE1 4.06Å; I183-Y197 HydrophobicContact CD1-CG 3.63Å; I193-Y197 WeakPolarHBondContact O-CB 3.45Å; I193-Y197 PolarHBondContact O-N 3.16Å; W194-Y197 HydrophobicContact CE3-CD1 4.06Å; W194-Y197 HydrophobicContact CH2-CD1 4.48Å; W194-Y197 AromaticContact CZ3-CD1 3.86Å; W194-Y197 HydrophobicContact CZ3-CD1 3.86Å; W194-Y197 HydrophobicContact CZ3-CE1 4.08Å; W194-Y197 WeakPolarHBondContact O-CB 3.47Å; W194-Y197 PolarHBondContact O-N 3.13Å; V195-Y197 VanDerWaalsContact C-N 3.34Å; V195-Y197 PolarHBondContact O-N 3.11Å; Y197-V199 VanDerWaalsContact C-N 3.34Å; Y197-V199 PolarHBondContact O-N 2.91Å; Y197-Y200 WeakPolarHBondContact O-CB 3.47Å; Y197-Y200 PolarHBondContact O-N 2.91Å; Y197-Y200 VanDerWaalsContact O-N 3.14Å; Y197-E201 HydrophobicContact CD2-CG 3.96Å; Y197-E201 HydrophobicContact CE1-CG 4.15Å; Y197-E201 HydrophobicContact CE2-CG 3.42Å; Y197-E201 VanDerWaalsContact CE2-CG 3.42Å; Y197-E201 WeakPolarHBondContact CE2-OE1 3.41Å; Y197-E201 PolarHBondContact O-N 2.98Å; Y197-L212 PolarHBondContact OH-O 3.41Å; Y197-I213 HydrophobicContact CE1-CG1 4.16Å; Y197-K216 HydrophobicContact CE1-CB 4.28Å |
| 198 | C | 98.1 | Very high | 96.9 | Very high | 24 Ų | 24 | 63.3 Ų | 63.3 | 16% | 0.162 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -62 | -43 | 179.3 | -65.8 | 0 | 0 | 0 | 0 | 111.8 | W194 V195 Y200 K202 I213 | W194-C198 VanDerWaalsContact CE2-SG 3.57Å; W194-C198 PolarHBondContact O-N 3.34Å; W194-C198 PolarHBondContact O-SG 3.33Å; V195-C198 PolarHBondContact O-N 2.95Å; C198-Y200 VanDerWaalsContact C-N 3.33Å; C198-K202 WeakPolarHBondContact O-CG 3.33Å; C198-K202 PolarHBondContact O-N 2.64Å; C198-I213 HydrophobicContact CB-CD1 3.99Å |
| 199 | V | 98.1 | Very high | 96.9 | Very high | 97 Ų | 97 | 61.9 Ų | 61.9 | 59% | 0.588 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -63.8 | -41.5 | 174.3 | 173.3 | 0 | 0 | 0 | 0 | 110.6 | V195 Y197 S203 | V195-V199 WeakPolarHBondContact O-CG2 3.42Å; V195-V199 PolarHBondContact O-N 3.29Å; Y197-V199 VanDerWaalsContact C-N 3.34Å; Y197-V199 PolarHBondContact O-N 2.91Å; V199-S203 PolarHBondContact O-N 3.42Å |
| 200 | Y | 97.8 | Very high | 96.9 | Very high | 20 Ų | 20 | 62.4 Ų | 62.4 | 8% | 0.078 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -63.4 | -51.8 | 179.3 | 178.5 | -107 | 0 | 0 | 0 | 112.6 | I172 I175 Y179 E196 Y197 C198 K202 S203 V204 | I172-Y200 WeakPolarHBondContact CA-OH 3.29Å; I175-Y200 HydrophobicContact CB-CE1 4.14Å; I175-Y200 HydrophobicContact CD1-CE2 4.21Å; I175-Y200 WeakPolarHBondContact CD1-OH 3.26Å; I175-Y200 HydrophobicContact CG2-CD1 4.1Å; I175-Y200 HydrophobicContact CG2-CD2 4.47Å; I175-Y200 HydrophobicContact CG2-CE1 3.53Å; I175-Y200 HydrophobicContact CG2-CE2 3.96Å; I175-Y200 VanDerWaalsContact CG2-CZ 3.46Å; Y179-Y200 HydrophobicContact CD2-CD1 4Å; Y179-Y200 HydrophobicContact CD2-CE1 4.49Å; Y179-Y200 AromaticContact CE2-CD1 3.78Å; Y179-Y200 HydrophobicContact CE2-CD1 3.78Å; Y179-Y200 HydrophobicContact CE2-CE1 4.45Å; Y179-Y200 AromaticContact CE2-CG 3.84Å; Y179-Y200 HydrophobicContact CE2-CG 3.84Å; E196-Y200 WeakPolarHBondContact O-CB 3.3Å; E196-Y200 PolarHBondContact O-N 2.95Å; Y197-Y200 WeakPolarHBondContact O-CB 3.47Å; Y197-Y200 PolarHBondContact O-N 2.91Å; Y197-Y200 VanDerWaalsContact O-N 3.14Å; C198-Y200 VanDerWaalsContact C-N 3.33Å; Y200-K202 VanDerWaalsContact C-N 3.3Å; Y200-K202 PolarHBondContact O-N 3.05Å; Y200-S203 WeakPolarHBondContact O-CA 3.34Å; Y200-S203 WeakPolarHBondContact O-CB 3.48Å; Y200-S203 PolarHBondContact O-N 2.95Å; Y200-S203 PolarHBondContact O-OG 2.94Å; Y200-V204 HydrophobicContact CD1-CG2 4.3Å; Y200-V204 HydrophobicContact CD2-CG2 4.24Å; Y200-V204 HydrophobicContact CE1-CG2 3.84Å; Y200-V204 HydrophobicContact CE2-CG2 3.77Å; Y200-V204 HydrophobicContact CG-CG2 4.48Å; Y200-V204 WeakPolarHBondContact O-CG2 3.42Å; Y200-V204 PolarHBondContact O-N 2.87Å |
| 201 | E | 97.6 | Very high | 96.9 | Very high | 1 Ų | 1 | 69 Ų | 69 | 1% | 0.005 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -61.5 | -38.5 | -179.6 | -69.7 | -61.5 | 160 | 0 | 0 | 111.9 | R176 Y197 S203 V204 N205 A209 L212 I213 | R176-E201 IonicContact CZ-OE1 3.59Å; R176-E201 IonicContact CZ-OE2 3.56Å; R176-E201 IonicContact NE-OE1 2.79Å; R176-E201 PolarHBondContact NE-OE1 2.98Å; R176-E201 IonicContact NE-OE2 3.38Å; R176-E201 PolarHBondContact NE-OE2 3.43Å; R176-E201 IonicContact NH2-OE1 3.53Å; R176-E201 IonicContact NH2-OE2 2.84Å; R176-E201 PolarHBondContact NH2-OE2 3.38Å; Y197-E201 HydrophobicContact CD2-CG 3.96Å; Y197-E201 HydrophobicContact CE1-CG 4.15Å; Y197-E201 HydrophobicContact CE2-CG 3.42Å; Y197-E201 VanDerWaalsContact CE2-CG 3.42Å; Y197-E201 WeakPolarHBondContact CE2-OE1 3.41Å; Y197-E201 PolarHBondContact O-N 2.98Å; E201-S203 VanDerWaalsContact C-N 3.32Å; E201-S203 PolarHBondContact O-N 3.45Å; E201-V204 PolarHBondContact O-N 3.26Å; E201-N205 PolarHBondContact O-N 3.11Å; E201-A209 HydrophobicContact CB-CB 4.26Å; E201-L212 WeakPolarHBondContact OE2-CD1 3.39Å; E201-I213 HydrophobicContact CB-CD1 4.33Å; E201-I213 HydrophobicContact CB-CG1 4.23Å |
| 202 | K | 97.5 | Very high | 96.8 | Very high | 114 Ų | 114 | 69 Ų | 69 | 50% | 0.496 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -62.3 | -37.2 | 172.9 | -72.1 | -178.8 | 179.8 | -170.5 | 0 | 112.8 | C198 Y200 V204 Q206 A209 I213 | C198-K202 WeakPolarHBondContact O-CG 3.33Å; C198-K202 PolarHBondContact O-N 2.64Å; Y200-K202 VanDerWaalsContact C-N 3.3Å; Y200-K202 PolarHBondContact O-N 3.05Å; K202-V204 VanDerWaalsContact C-N 3.31Å; K202-Q206 PolarHBondContact O-N 3.07Å; K202-A209 HydrophobicContact CB-CB 4.3Å; K202-A209 HydrophobicContact CG-CB 3.67Å; K202-I213 HydrophobicContact CG-CD1 4.44Å |
| 203 | S | 96.4 | Very high | 96.8 | Very high | 88 Ų | 88 | 65.1 Ų | 65.1 | 62% | 0.615 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -71.5 | -24.9 | 176 | 75.7 | 0 | 0 | 0 | 0 | 113.6 | V199 Y200 E201 | V199-S203 PolarHBondContact O-N 3.42Å; Y200-S203 WeakPolarHBondContact O-CA 3.34Å; Y200-S203 WeakPolarHBondContact O-CB 3.48Å; Y200-S203 PolarHBondContact O-N 2.95Å; Y200-S203 PolarHBondContact O-OG 2.94Å; E201-S203 VanDerWaalsContact C-N 3.32Å; E201-S203 PolarHBondContact O-N 3.45Å |
| 204 | V | 94.7 | Very high | 96.8 | Very high | 47 Ų | 47 | 67.3 Ų | 67.3 | 29% | 0.285 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -83.6 | -50.8 | 178.8 | 174.3 | 0 | 0 | 0 | 0 | 111.2 | I172 Y200 E201 K202 | I172-V204 HydrophobicContact CD1-CG1 3.72Å; I172-V204 HydrophobicContact CG1-CG1 4.1Å; I172-V204 HydrophobicContact CG1-CG2 4.35Å; I172-V204 HydrophobicContact CG2-CG1 3.81Å; I172-V204 HydrophobicContact CG2-CG2 4.48Å; Y200-V204 HydrophobicContact CD1-CG2 4.3Å; Y200-V204 HydrophobicContact CD2-CG2 4.24Å; Y200-V204 HydrophobicContact CE1-CG2 3.84Å; Y200-V204 HydrophobicContact CE2-CG2 3.77Å; Y200-V204 HydrophobicContact CG-CG2 4.48Å; Y200-V204 WeakPolarHBondContact O-CG2 3.42Å; Y200-V204 PolarHBondContact O-N 2.87Å; E201-V204 PolarHBondContact O-N 3.26Å; K202-V204 VanDerWaalsContact C-N 3.31Å |
| 205 | N | 93.5 | Very high | 96.7 | Very high | 59 Ų | 59 | 71.4 Ų | 71.4 | 32% | 0.316 | 38% | 0.376 | S | S | . | . | trans | -153.2 | 100 | 178.9 | -174.4 | -31.8 | 0 | 0 | 0 | 110.3 | E201 F207 L208 A209 | E201-N205 PolarHBondContact O-N 3.11Å; N205-F207 PolarHBondContact O-N 2.79Å; N205-F207 WeakPolarHBondContact OD1-CB 3.19Å; N205-F207 PolarHBondContact OD1-N 3.48Å; N205-L208 HydrophobicContact CB-CB 4.33Å; N205-L208 WeakPolarHBondContact ND2-CD1 3.2Å; N205-L208 PolarHBondContact O-N 2.83Å; N205-L208 PolarHBondContact OD1-N 3.28Å; N205-L208 VanDerWaalsContact OD1-N 3.09Å; N205-A209 VanDerWaalsContact O-CB 3.27Å; N205-A209 WeakPolarHBondContact O-CB 3.41Å; N205-A209 PolarHBondContact O-N 3.47Å | ||
| 206 | Q | 94.2 | Very high | 96.6 | Very high | 153 Ų | 153 | 69.8 Ų | 69.8 | 72% | 0.715 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -57.7 | -31.6 | -178.1 | -171.7 | 170.4 | -0.3 | 0 | 0 | 113.6 | K202 | K202-Q206 PolarHBondContact O-N 3.07Å |
| 207 | F | 94.6 | Very high | 96.6 | Very high | 192 Ų | 192 | 69.2 Ų | 69.2 | 84% | 0.842 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -77.9 | -37.6 | -178.7 | -59.3 | -74.1 | 0 | 0 | 0 | 113.1 | N205 | N205-F207 PolarHBondContact O-N 2.79Å; N205-F207 WeakPolarHBondContact OD1-CB 3.19Å; N205-F207 PolarHBondContact OD1-N 3.48Å |
| 208 | L | 94.4 | Very high | 96.5 | Very high | 90 Ų | 90 | 79.7 Ų | 79.7 | 47% | 0.471 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -88.9 | -15.9 | 179.3 | -65.9 | -179 | 0 | 0 | 0 | 113.2 | N205 D210 K211 L212 | N205-L208 HydrophobicContact CB-CB 4.33Å; N205-L208 WeakPolarHBondContact ND2-CD1 3.2Å; N205-L208 PolarHBondContact O-N 2.83Å; N205-L208 PolarHBondContact OD1-N 3.28Å; N205-L208 VanDerWaalsContact OD1-N 3.09Å; L208-D210 PolarHBondContact O-N 2.99Å; L208-K211 PolarHBondContact O-N 3.35Å; L208-L212 HydrophobicContact CB-CD1 4.26Å; L208-L212 WeakPolarHBondContact O-CG 3.47Å; L208-L212 PolarHBondContact O-N 3.26Å |
| 209 | A | 95.8 | Very high | 96.4 | Very high | 1 Ų | 1 | 81.8 Ų | 81.8 | 1% | 0.008 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -55.1 | -49.1 | -172.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | E201 K202 N205 K211 L212 I213 | E201-A209 HydrophobicContact CB-CB 4.26Å; K202-A209 HydrophobicContact CB-CB 4.3Å; K202-A209 HydrophobicContact CG-CB 3.67Å; N205-A209 VanDerWaalsContact O-CB 3.27Å; N205-A209 WeakPolarHBondContact O-CB 3.41Å; N205-A209 PolarHBondContact O-N 3.47Å; A209-K211 VanDerWaalsContact C-N 3.29Å; A209-K211 PolarHBondContact O-N 3.06Å; A209-L212 PolarHBondContact O-N 3.15Å; A209-I213 HydrophobicContact CB-CD1 4.35Å; A209-I213 VanDerWaalsContact O-CB 3.31Å; A209-I213 WeakPolarHBondContact O-CB 3.45Å; A209-I213 WeakPolarHBondContact O-CD1 3.17Å; A209-I213 WeakPolarHBondContact O-CG1 3.06Å; A209-I213 PolarHBondContact O-N 3.05Å |
| 210 | D | 97.1 | Very high | 96.4 | Very high | 109 Ų | 109 | 77.8 Ų | 77.8 | 58% | 0.583 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -64.5 | -35.1 | -176 | -68.7 | -25.4 | 0 | 0 | 0 | 112 | L208 G214 | L208-D210 PolarHBondContact O-N 2.99Å; D210-G214 PolarHBondContact O-N 2.94Å |
| 211 | K | 97.3 | Very high | 96.5 | Very high | 140 Ų | 140 | 80.4 Ų | 80.4 | 61% | 0.609 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -65.8 | -51.8 | 173 | -177.1 | -178.9 | 175 | -177.5 | 0 | 111.4 | L208 A209 I213 G214 E215 | L208-K211 PolarHBondContact O-N 3.35Å; A209-K211 VanDerWaalsContact C-N 3.29Å; A209-K211 PolarHBondContact O-N 3.06Å; K211-I213 VanDerWaalsContact C-N 3.31Å; K211-I213 PolarHBondContact O-N 2.72Å; K211-G214 PolarHBondContact O-N 3.23Å; K211-G214 VanDerWaalsContact O-N 3.16Å; K211-E215 VanDerWaalsContact CE-OE1 3.25Å; K211-E215 WeakPolarHBondContact CE-OE1 3.48Å; K211-E215 WeakPolarHBondContact O-CG 3.28Å; K211-E215 PolarHBondContact O-N 2.63Å |
| 212 | L | 95.9 | Very high | 96.5 | Very high | 40 Ų | 40 | 83.1 Ų | 83.1 | 21% | 0.209 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -64.3 | -34 | -178.6 | -67 | 176.1 | 0 | 0 | 0 | 112.8 | Y197 E201 L208 A209 | Y197-L212 PolarHBondContact OH-O 3.41Å; E201-L212 WeakPolarHBondContact OE2-CD1 3.39Å; L208-L212 HydrophobicContact CB-CD1 4.26Å; L208-L212 WeakPolarHBondContact O-CG 3.47Å; L208-L212 PolarHBondContact O-N 3.26Å; A209-L212 PolarHBondContact O-N 3.15Å |
| 213 | I | 97.9 | Very high | 96.5 | Very high | 22 Ų | 22 | 77.8 Ų | 77.8 | 11% | 0.113 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -70.9 | -45 | 173.3 | -67.6 | 165.2 | 0 | 0 | 0 | 109.6 | W194 Y197 C198 E201 K202 A209 K211 E215 K216 S217 | W194-I213 HydrophobicContact CH2-CG2 3.82Å; W194-I213 HydrophobicContact CZ2-CG2 3.71Å; Y197-I213 HydrophobicContact CE1-CG1 4.16Å; C198-I213 HydrophobicContact CB-CD1 3.99Å; E201-I213 HydrophobicContact CB-CD1 4.33Å; E201-I213 HydrophobicContact CB-CG1 4.23Å; K202-I213 HydrophobicContact CG-CD1 4.44Å; A209-I213 HydrophobicContact CB-CD1 4.35Å; A209-I213 VanDerWaalsContact O-CB 3.31Å; A209-I213 WeakPolarHBondContact O-CB 3.45Å; A209-I213 WeakPolarHBondContact O-CD1 3.17Å; A209-I213 WeakPolarHBondContact O-CG1 3.06Å; A209-I213 PolarHBondContact O-N 3.05Å; K211-I213 VanDerWaalsContact C-N 3.31Å; K211-I213 PolarHBondContact O-N 2.72Å; I213-E215 VanDerWaalsContact C-N 3.33Å; I213-E215 PolarHBondContact O-N 3.16Å; I213-K216 PolarHBondContact O-N 2.91Å; I213-K216 VanDerWaalsContact O-N 3.15Å; I213-S217 PolarHBondContact O-N 3.02Å |
| 214 | G | 97.2 | Very high | 96.6 | Very high | 47 Ų | 47 | 77.9 Ų | 77.9 | 49% | 0.485 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -55.6 | -44.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113 | D210 K211 K216 S217 | D210-G214 PolarHBondContact O-N 2.94Å; K211-G214 PolarHBondContact O-N 3.23Å; K211-G214 VanDerWaalsContact O-N 3.16Å; G214-K216 VanDerWaalsContact C-N 3.28Å; G214-K216 PolarHBondContact O-N 3.19Å; G214-S217 WeakPolarHBondContact O-CB 3.48Å; G214-S217 PolarHBondContact O-N 3.13Å |
| 215 | E | 96.8 | Very high | 96.7 | Very high | 118 Ų | 118 | 84.1 Ų | 84.1 | 55% | 0.551 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -58.9 | -35.4 | 177.5 | -73.9 | 172.1 | -172 | 0 | 0 | 113 | K211 I213 | K211-E215 VanDerWaalsContact CE-OE1 3.25Å; K211-E215 WeakPolarHBondContact CE-OE1 3.48Å; K211-E215 WeakPolarHBondContact O-CG 3.28Å; K211-E215 PolarHBondContact O-N 2.63Å; I213-E215 VanDerWaalsContact C-N 3.33Å; I213-E215 PolarHBondContact O-N 3.16Å |
| 216 | K | 97.5 | Very high | 97 | Very high | 48 Ų | 48 | 81.6 Ų | 81.6 | 21% | 0.209 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -93.2 | -11.8 | -179.6 | -68.3 | -52.2 | -165.1 | 172.6 | 0 | 114.9 | H180 W194 Y197 I213 G214 R218 E219 Y220 | H180-K216 VanDerWaalsContact CE1-CE 3.47Å; H180-K216 WeakPolarHBondContact CE1-CE 3.48Å; H180-K216 VanDerWaalsContact ND1-CE 3.28Å; H180-K216 WeakPolarHBondContact ND1-CE 3.42Å; W194-K216 HydrophobicContact CH2-CB 4.42Å; W194-K216 HydrophobicContact CZ3-CB 4.06Å; Y197-K216 HydrophobicContact CE1-CB 4.28Å; I213-K216 PolarHBondContact O-N 2.91Å; I213-K216 VanDerWaalsContact O-N 3.15Å; G214-K216 VanDerWaalsContact C-N 3.28Å; G214-K216 PolarHBondContact O-N 3.19Å; K216-R218 PolarHBondContact O-N 2.86Å; K216-E219 WeakPolarHBondContact CD-OE2 3.37Å; K216-E219 IonicContact NZ-OE2 2.82Å; K216-E219 PolarHBondContact NZ-OE2 3.23Å; K216-E219 PolarHBondContact O-N 3.46Å; K216-Y220 PolarHBondContact O-N 3.34Å |
| 217 | S | 97.6 | Very high | 97.1 | Very high | 43 Ų | 43 | 74.3 Ų | 74.3 | 30% | 0.301 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -59.3 | -42.7 | -176.4 | -174.8 | 0 | 0 | 0 | 0 | 112.8 | I213 G214 E219 Y220 Q221 | I213-S217 PolarHBondContact O-N 3.02Å; G214-S217 WeakPolarHBondContact O-CB 3.48Å; G214-S217 PolarHBondContact O-N 3.13Å; S217-E219 PolarHBondContact O-N 3.43Å; S217-Y220 WeakPolarHBondContact O-CB 3.39Å; S217-Y220 PolarHBondContact O-N 2.89Å; S217-Q221 VanDerWaalsContact O-CG 3.25Å; S217-Q221 WeakPolarHBondContact O-CG 3.3Å; S217-Q221 PolarHBondContact O-N 2.8Å |
| 218 | R | 96.8 | Very high | 97.3 | Very high | 220 Ų | 220 | 71.6 Ų | 71.6 | 83% | 0.83 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -63.8 | -44.3 | 179.8 | -175 | 177.5 | 177.8 | 179.7 | -1.1 | 112.5 | K216 Q221 L222 | K216-R218 PolarHBondContact O-N 2.86Å; R218-Q221 PolarHBondContact O-N 3.12Å; R218-L222 PolarHBondContact O-N 2.94Å; R218-L222 VanDerWaalsContact O-N 3.12Å |
| 219 | E | 96.3 | Very high | 97.4 | Very high | 69 Ų | 69 | 69.2 Ų | 69.2 | 32% | 0.322 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -63.1 | -45.1 | 177.3 | -178.6 | 171.3 | -129.8 | 0 | 0 | 110.8 | A184 K216 S217 Q221 L222 S223 | A184-E219 HydrophobicContact CB-CG 4.09Å; A184-E219 WeakPolarHBondContact CB-OE1 3.46Å; K216-E219 WeakPolarHBondContact CD-OE2 3.37Å; K216-E219 IonicContact NZ-OE2 2.82Å; K216-E219 PolarHBondContact NZ-OE2 3.23Å; K216-E219 PolarHBondContact O-N 3.46Å; S217-E219 PolarHBondContact O-N 3.43Å; E219-Q221 PolarHBondContact O-N 3.33Å; E219-L222 PolarHBondContact O-N 3.45Å; E219-S223 PolarHBondContact O-N 3.08Å; E219-S223 PolarHBondContact O-OG 3.18Å |
| 220 | Y | 98.2 | Very high | 97.5 | Very high | 13 Ų | 13 | 69.2 Ų | 69.2 | 5% | 0.051 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -56.4 | -48.8 | 172.7 | 164.8 | -115 | 0 | 0 | 0 | 112.7 | L190 E191 W194 K216 S217 L222 S223 R224 | L190-Y220 HydrophobicContact CD2-CD2 4.3Å; L190-Y220 HydrophobicContact CD2-CE2 4.45Å; L190-Y220 HydrophobicContact CG-CD2 4.25Å; L190-Y220 HydrophobicContact CG-CE2 4.19Å; E191-Y220 WeakPolarHBondContact CG-OH 3.41Å; W194-Y220 HydrophobicContact CB-CD2 3.74Å; W194-Y220 HydrophobicContact CB-CE1 4.33Å; W194-Y220 HydrophobicContact CB-CE2 3.37Å; W194-Y220 HydrophobicContact CB-CG 4.36Å; W194-Y220 AromaticContact CD1-CE1 3.52Å; W194-Y220 AromaticContact CD1-CZ 3.56Å; W194-Y220 AromaticContact CD2-CD1 3.55Å; W194-Y220 HydrophobicContact CD2-CD1 3.55Å; W194-Y220 AromaticContact CD2-CD2 3.86Å; W194-Y220 HydrophobicContact CD2-CD2 3.86Å; W194-Y220 AromaticContact CD2-CE1 3.84Å; W194-Y220 HydrophobicContact CD2-CE1 3.84Å; W194-Y220 HydrophobicContact CD2-CE2 4.14Å; W194-Y220 AromaticContact CD2-CG 3.54Å; W194-Y220 HydrophobicContact CD2-CG 3.54Å; W194-Y220 AromaticContact CE2-CD1 3.63Å; W194-Y220 AromaticContact CE2-CE1 3.86Å; W194-Y220 AromaticContact CE3-CD1 3.99Å; W194-Y220 HydrophobicContact CE3-CD1 3.99Å; W194-Y220 AromaticContact CE3-CD2 3.93Å; W194-Y220 HydrophobicContact CE3-CD2 3.93Å; W194-Y220 AromaticContact CE3-CG 3.56Å; W194-Y220 HydrophobicContact CE3-CG 3.56Å; W194-Y220 AromaticContact CG-CD1 3.85Å; W194-Y220 HydrophobicContact CG-CD1 3.85Å; W194-Y220 AromaticContact CG-CD2 3.79Å; W194-Y220 HydrophobicContact CG-CD2 3.79Å; W194-Y220 AromaticContact CG-CE1 3.62Å; W194-Y220 HydrophobicContact CG-CE1 3.62Å; W194-Y220 AromaticContact CG-CE2 3.57Å; W194-Y220 HydrophobicContact CG-CE2 3.57Å; W194-Y220 AromaticContact CG-CG 3.9Å; W194-Y220 HydrophobicContact CG-CG 3.9Å; W194-Y220 AromaticContact CG-CZ 3.46Å; W194-Y220 VanDerWaalsContact CG-CZ 3.46Å; W194-Y220 HydrophobicContact CH2-CD1 4.49Å; W194-Y220 HydrophobicContact CZ2-CD1 4.12Å; W194-Y220 HydrophobicContact CZ3-CD1 4.43Å; W194-Y220 HydrophobicContact CZ3-CG 4.1Å; W194-Y220 AromaticContact NE1-CD1 3.92Å; W194-Y220 AromaticContact NE1-CE1 3.65Å; K216-Y220 PolarHBondContact O-N 3.34Å; S217-Y220 WeakPolarHBondContact O-CB 3.39Å; S217-Y220 PolarHBondContact O-N 2.89Å; Y220-L222 VanDerWaalsContact C-N 3.29Å; Y220-L222 PolarHBondContact O-N 3.48Å; Y220-S223 PolarHBondContact O-N 3.29Å; Y220-R224 HydrophobicContact CE2-CB 4.29Å; Y220-R224 VanDerWaalsContact O-CB 3.29Å; Y220-R224 WeakPolarHBondContact O-CB 3.31Å; Y220-R224 PolarHBondContact O-N 3.24Å |
| 221 | Q | 98.1 | Very high | 97.5 | Very high | 75 Ų | 75 | 66.8 Ų | 66.8 | 35% | 0.35 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -61.2 | -38.8 | -178.6 | -71.1 | -63.3 | -22.8 | 0 | 0 | 112.2 | S217 R218 E219 R225 | S217-Q221 VanDerWaalsContact O-CG 3.25Å; S217-Q221 WeakPolarHBondContact O-CG 3.3Å; S217-Q221 PolarHBondContact O-N 2.8Å; R218-Q221 PolarHBondContact O-N 3.12Å; E219-Q221 PolarHBondContact O-N 3.33Å; Q221-R225 PolarHBondContact O-N 3.18Å; Q221-R225 VanDerWaalsContact O-N 3.1Å |
| 222 | L | 97.8 | Very high | 97.5 | Very high | 57 Ų | 57 | 62.8 Ų | 62.8 | 30% | 0.298 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -65.3 | -52.7 | 174.5 | 178.4 | 61.2 | 0 | 0 | 0 | 111.1 | R218 E219 Y220 R224 R225 V226 L271 | R218-L222 PolarHBondContact O-N 2.94Å; R218-L222 VanDerWaalsContact O-N 3.12Å; E219-L222 PolarHBondContact O-N 3.45Å; Y220-L222 VanDerWaalsContact C-N 3.29Å; Y220-L222 PolarHBondContact O-N 3.48Å; L222-R224 VanDerWaalsContact C-N 3.27Å; L222-R224 PolarHBondContact O-N 3.16Å; L222-R225 PolarHBondContact O-N 3.28Å; L222-R225 VanDerWaalsContact O-N 3.13Å; L222-V226 HydrophobicContact CD1-CG2 4.3Å; L222-V226 WeakPolarHBondContact O-CG2 3.44Å; L222-V226 PolarHBondContact O-N 3.27Å; L222-L271 HydrophobicContact CD2-CD2 4.38Å; L222-L271 HydrophobicContact CG-CD2 4.14Å |
| 223 | S | 98.1 | Very high | 97.6 | Very high | 2 Ų | 2 | 62.4 Ų | 62.4 | 1% | 0.014 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -58.1 | -39 | 178.9 | -65.2 | 0 | 0 | 0 | 0 | 112.7 | I183 A184 E219 Y220 V226 S227 | I183-S223 WeakPolarHBondContact O-CB 3.36Å; I183-S223 PolarHBondContact O-OG 2.95Å; A184-S223 PolarHBondContact O-OG 2.86Å; E219-S223 PolarHBondContact O-N 3.08Å; E219-S223 PolarHBondContact O-OG 3.18Å; Y220-S223 PolarHBondContact O-N 3.29Å; S223-V226 PolarHBondContact O-N 3.37Å; S223-S227 WeakPolarHBondContact O-CB 3.43Å; S223-S227 PolarHBondContact O-N 2.97Å; S223-S227 PolarHBondContact O-OG 2.94Å |
| 224 | R | 98.2 | Very high | 97.5 | Very high | 90 Ų | 90 | 61.7 Ų | 61.7 | 34% | 0.34 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -65.4 | -42.8 | 176 | -175.8 | 177.8 | 70.4 | 147.5 | 3.7 | 112.3 | L190 E191 Y220 L222 V226 S227 R228 | L190-R224 HydrophobicContact CD2-CB 4.31Å; E191-R224 HydrophobicContact CG-CG 4.29Å; Y220-R224 HydrophobicContact CE2-CB 4.29Å; Y220-R224 VanDerWaalsContact O-CB 3.29Å; Y220-R224 WeakPolarHBondContact O-CB 3.31Å; Y220-R224 PolarHBondContact O-N 3.24Å; L222-R224 VanDerWaalsContact C-N 3.27Å; L222-R224 PolarHBondContact O-N 3.16Å; R224-V226 VanDerWaalsContact C-N 3.34Å; R224-S227 PolarHBondContact O-N 2.98Å; R224-S227 PolarHBondContact O-OG 3.37Å; R224-R228 WeakPolarHBondContact O-CG 3.34Å; R224-R228 PolarHBondContact O-N 3.22Å |
| 225 | R | 98 | Very high | 97.5 | Very high | 179 Ų | 179 | 68.5 Ų | 68.5 | 68% | 0.675 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -62.8 | -44.8 | 176.1 | -171.3 | -170.3 | -52.3 | 170.6 | 3.4 | 110.8 | Q221 L222 R228 A229 | Q221-R225 PolarHBondContact O-N 3.18Å; Q221-R225 VanDerWaalsContact O-N 3.1Å; L222-R225 PolarHBondContact O-N 3.28Å; L222-R225 VanDerWaalsContact O-N 3.13Å; R225-R228 PolarHBondContact O-N 3.38Å; R225-A229 PolarHBondContact O-N 3.17Å; R225-A229 VanDerWaalsContact O-N 3.12Å |
| 226 | V | 98.3 | Very high | 97.5 | Very high | 6 Ų | 6 | 65 Ų | 65 | 4% | 0.036 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -67.9 | -37.1 | 179.3 | 175.9 | 0 | 0 | 0 | 0 | 111.5 | P186 L222 S223 R224 R228 A229 M230 W265 P270 L271 | P186-V226 HydrophobicContact CB-CB 4.17Å; P186-V226 HydrophobicContact CB-CG1 3.86Å; P186-V226 HydrophobicContact CG-CB 3.92Å; P186-V226 HydrophobicContact CG-CG1 3.64Å; L222-V226 HydrophobicContact CD1-CG2 4.3Å; L222-V226 WeakPolarHBondContact O-CG2 3.44Å; L222-V226 PolarHBondContact O-N 3.27Å; S223-V226 PolarHBondContact O-N 3.37Å; R224-V226 VanDerWaalsContact C-N 3.34Å; V226-R228 PolarHBondContact O-N 2.84Å; V226-A229 PolarHBondContact O-N 3.22Å; V226-M230 VanDerWaalsContact O-CB 3.3Å; V226-M230 WeakPolarHBondContact O-CB 3.3Å; V226-M230 PolarHBondContact O-N 3.27Å; V226-W265 HydrophobicContact CG1-CH2 3.77Å; V226-W265 HydrophobicContact CG1-CZ2 4.24Å; V226-P270 HydrophobicContact CG1-CB 4.16Å; V226-P270 HydrophobicContact CG1-CG 4.19Å; V226-P270 HydrophobicContact CG2-CB 4.46Å; V226-P270 WeakPolarHBondContact CG2-O 3.42Å; V226-L271 HydrophobicContact CB-CD2 4.19Å; V226-L271 HydrophobicContact CG1-CD2 4.29Å; V226-L271 HydrophobicContact CG1-CG 4.32Å; V226-L271 HydrophobicContact CG2-CD2 3.91Å; V226-L271 HydrophobicContact CG2-CG 4.39Å |
| 227 | S | 97.9 | Very high | 97.5 | Very high | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -63.5 | -41.5 | 177.1 | 67.9 | 0 | 0 | 0 | 0 | 111.6 | M187 S223 R224 A229 M230 E231 | M187-S227 WeakPolarHBondContact O-CB 3.19Å; S223-S227 WeakPolarHBondContact O-CB 3.43Å; S223-S227 PolarHBondContact O-N 2.97Å; S223-S227 PolarHBondContact O-OG 2.94Å; R224-S227 PolarHBondContact O-N 2.98Å; R224-S227 PolarHBondContact O-OG 3.37Å; S227-A229 PolarHBondContact O-N 3.23Å; S227-M230 WeakPolarHBondContact O-CB 3.27Å; S227-M230 PolarHBondContact O-N 3.46Å; S227-E231 WeakPolarHBondContact O-CG 3.44Å; S227-E231 PolarHBondContact O-N 2.79Å |
| 228 | R | 97.6 | Very high | 97.4 | Very high | 134 Ų | 134 | 64.3 Ų | 64.3 | 51% | 0.506 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -62.8 | -42.3 | 174.3 | -65 | -65.5 | 174.4 | -169.2 | 4.7 | 112.8 | E191 R224 R225 V226 M230 E231 A232 | E191-R228 IonicContact OE1-CZ 3.26Å; E191-R228 IonicContact OE1-NE 3.56Å; E191-R228 PolarHBondContact OE1-NE 2.86Å; E191-R228 IonicContact OE1-NH2 2.71Å; E191-R228 PolarHBondContact OE1-NH2 2.86Å; E191-R228 IonicContact OE2-NH2 3.37Å; R224-R228 WeakPolarHBondContact O-CG 3.34Å; R224-R228 PolarHBondContact O-N 3.22Å; R225-R228 PolarHBondContact O-N 3.38Å; V226-R228 PolarHBondContact O-N 2.84Å; R228-M230 VanDerWaalsContact C-N 3.33Å; R228-E231 WeakPolarHBondContact CD-OE1 3.43Å; R228-E231 IonicContact CZ-OE1 3.13Å; R228-E231 IonicContact NE-OE1 2.65Å; R228-E231 IonicContact NH1-OE1 2.85Å; R228-E231 PolarHBondContact NH1-OE1 3.21Å; R228-E231 IonicContact NH1-OE2 2.64Å; R228-E231 PolarHBondContact O-N 2.55Å; R228-A232 PolarHBondContact O-N 3.08Å |
| 229 | A | 97.7 | Very high | 97.2 | Very high | 41 Ų | 41 | 56.3 Ų | 56.3 | 34% | 0.339 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -65.2 | -37.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112 | R225 V226 S227 A232 V233 W265 | R225-A229 PolarHBondContact O-N 3.17Å; R225-A229 VanDerWaalsContact O-N 3.12Å; V226-A229 PolarHBondContact O-N 3.22Å; S227-A229 PolarHBondContact O-N 3.23Å; A229-A232 WeakPolarHBondContact O-CB 3.44Å; A229-A232 PolarHBondContact O-N 3.05Å; A229-V233 PolarHBondContact O-N 3.04Å; A229-W265 HydrophobicContact CB-CZ2 3.83Å |
| 230 | M | 97.7 | Very high | 97 | Very high | 1 Ų | 1 | 57 Ų | 57 | 1% | 0.005 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -64.9 | -39.9 | 176.2 | -165.2 | -178.7 | -173.2 | 0 | 0 | 112.1 | L144 V226 S227 R228 A232 V233 T234 Y262 W265 | L144-M230 HydrophobicContact CB-CE 4.46Å; L144-M230 HydrophobicContact CD1-CB 4.44Å; L144-M230 HydrophobicContact CD1-CG 4.21Å; L144-M230 HydrophobicContact CD1-SD 3.85Å; V226-M230 VanDerWaalsContact O-CB 3.3Å; V226-M230 WeakPolarHBondContact O-CB 3.3Å; V226-M230 PolarHBondContact O-N 3.27Å; S227-M230 WeakPolarHBondContact O-CB 3.27Å; S227-M230 PolarHBondContact O-N 3.46Å; R228-M230 VanDerWaalsContact C-N 3.33Å; M230-A232 VanDerWaalsContact C-N 3.28Å; M230-A232 PolarHBondContact O-N 3.16Å; M230-V233 WeakPolarHBondContact O-CG1 3.3Å; M230-T234 HydrophobicContact CG-CG2 4.39Å; M230-T234 WeakPolarHBondContact O-CB 3.36Å; M230-T234 VanDerWaalsContact O-CG2 3.3Å; M230-T234 WeakPolarHBondContact O-CG2 3.08Å; M230-T234 PolarHBondContact O-N 3.49Å; M230-T234 PolarHBondContact O-OG1 2.98Å; M230-Y262 HydrophobicContact CE-CE2 3.75Å; M230-Y262 WeakPolarHBondContact CE-OH 3.3Å; M230-Y262 HydrophobicContact CG-CE2 4.25Å; M230-W265 HydrophobicContact CB-CH2 3.64Å; M230-W265 HydrophobicContact CB-CZ2 4.5Å; M230-W265 HydrophobicContact CB-CZ3 3.97Å; M230-W265 HydrophobicContact CG-CH2 4.03Å; M230-W265 HydrophobicContact CG-CZ3 3.83Å |
| 231 | E | 97.1 | Very high | 96.8 | Very high | 58 Ų | 58 | 59.3 Ų | 59.3 | 27% | 0.271 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -60.4 | -39.3 | 171.9 | -71.7 | -177.9 | -100.8 | 0 | 0 | 111.5 | L144 I188 S227 R228 R235 | L144-E231 HydrophobicContact CD1-CG 4.33Å; I188-E231 HydrophobicContact CD1-CG 4.29Å; I188-E231 HydrophobicContact CG1-CG 3.99Å; S227-E231 WeakPolarHBondContact O-CG 3.44Å; S227-E231 PolarHBondContact O-N 2.79Å; R228-E231 WeakPolarHBondContact CD-OE1 3.43Å; R228-E231 IonicContact CZ-OE1 3.13Å; R228-E231 IonicContact NE-OE1 2.65Å; R228-E231 IonicContact NH1-OE1 2.85Å; R228-E231 PolarHBondContact NH1-OE1 3.21Å; R228-E231 IonicContact NH1-OE2 2.64Å; R228-E231 PolarHBondContact O-N 2.55Å; E231-R235 PolarHBondContact O-N 3.01Å |
| 232 | A | 97 | Very high | 96.6 | Very high | 55 Ų | 55 | 56.3 Ų | 56.3 | 46% | 0.455 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -68.1 | -48.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | R228 A229 M230 T234 R235 | R228-A232 PolarHBondContact O-N 3.08Å; A229-A232 WeakPolarHBondContact O-CB 3.44Å; A229-A232 PolarHBondContact O-N 3.05Å; M230-A232 VanDerWaalsContact C-N 3.28Å; M230-A232 PolarHBondContact O-N 3.16Å; A232-T234 VanDerWaalsContact C-N 3.34Å; A232-T234 PolarHBondContact O-N 3.1Å; A232-R235 VanDerWaalsContact O-CB 3.23Å; A232-R235 WeakPolarHBondContact O-CB 3.34Å; A232-R235 PolarHBondContact O-N 2.96Å |
| 233 | V | 97.6 | Very high | 96.4 | Very high | 33 Ų | 33 | 53.6 Ų | 53.6 | 20% | 0.2 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -71 | -29.8 | -178.8 | 75.2 | 0 | 0 | 0 | 0 | 112.6 | A229 M230 R235 Y262 W265 | A229-V233 PolarHBondContact O-N 3.04Å; M230-V233 WeakPolarHBondContact O-CG1 3.3Å; V233-R235 VanDerWaalsContact C-N 3.31Å; V233-Y262 HydrophobicContact CG1-CD2 3.91Å; V233-W265 HydrophobicContact CB-CD2 4.49Å; V233-W265 HydrophobicContact CB-CG 4.35Å; V233-W265 HydrophobicContact CG1-CB 4.48Å; V233-W265 HydrophobicContact CG1-CD2 3.82Å; V233-W265 HydrophobicContact CG1-CE3 3.86Å; V233-W265 HydrophobicContact CG1-CG 4.11Å; V233-W265 HydrophobicContact CG1-CZ3 4.39Å; V233-W265 HydrophobicContact CG2-CB 3.93Å; V233-W265 HydrophobicContact CG2-CG 4.12Å |
| 234 | T | 96.9 | Very high | 96.1 | Very high | 6 Ų | 6 | 55.1 Ų | 55.1 | 4% | 0.037 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90 | 5 | 178.2 | 67.7 | 0 | 0 | 0 | 0 | 113.8 | M230 A232 G236 I237 R239 Y262 | M230-T234 HydrophobicContact CG-CG2 4.39Å; M230-T234 WeakPolarHBondContact O-CB 3.36Å; M230-T234 VanDerWaalsContact O-CG2 3.3Å; M230-T234 WeakPolarHBondContact O-CG2 3.08Å; M230-T234 PolarHBondContact O-N 3.49Å; M230-T234 PolarHBondContact O-OG1 2.98Å; A232-T234 VanDerWaalsContact C-N 3.34Å; A232-T234 PolarHBondContact O-N 3.1Å; T234-G236 PolarHBondContact O-N 3.24Å; T234-I237 HydrophobicContact CG2-CD1 4.19Å; T234-I237 WeakPolarHBondContact O-CB 3.37Å; T234-I237 PolarHBondContact O-N 3.49Å; T234-I237 VanDerWaalsContact O-N 3.13Å; T234-R239 PolarHBondContact OG1-NH2 3.41Å; T234-R239 VanDerWaalsContact OG1-NH2 3.12Å; T234-Y262 HydrophobicContact CG2-CD1 4.15Å; T234-Y262 HydrophobicContact CG2-CD2 3.47Å; T234-Y262 VanDerWaalsContact CG2-CD2 3.47Å; T234-Y262 HydrophobicContact CG2-CE1 4.42Å; T234-Y262 HydrophobicContact CG2-CE2 3.79Å; T234-Y262 HydrophobicContact CG2-CG 3.67Å |
| 235 | R | 96.9 | Very high | 95.7 | Very high | 191 Ų | 191 | 52.7 Ų | 52.7 | 72% | 0.721 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62 | 124.8 | 178 | -171.5 | 177.8 | -66.2 | 176.9 | -0.5 | 110.7 | E231 A232 V233 I237 | E231-R235 PolarHBondContact O-N 3.01Å; A232-R235 VanDerWaalsContact O-CB 3.23Å; A232-R235 WeakPolarHBondContact O-CB 3.34Å; A232-R235 PolarHBondContact O-N 2.96Å; V233-R235 VanDerWaalsContact C-N 3.31Å; R235-I237 VanDerWaalsContact C-N 3.34Å |
| 236 | G | 95.8 | Very high | 95.3 | Very high | 43 Ų | 43 | 47 Ų | 47 | 44% | 0.443 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 86.8 | -4.5 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | T234 N238 Q255 | T234-G236 PolarHBondContact O-N 3.24Å; G236-N238 PolarHBondContact O-N 2.82Å; G236-Q255 PolarHBondContact O-NE2 3.45Å |
| 237 | I | 97.8 | Very high | 94.8 | Very high | 13 Ų | 13 | 52.9 Ų | 52.9 | 7% | 0.067 | 28% | 0.28 | C | S | . | . | trans | -69.8 | 121.5 | 169.8 | -66.7 | -178.7 | 0 | 0 | 0 | 109.4 | T234 R235 R239 L258 W259 Y262 | T234-I237 HydrophobicContact CG2-CD1 4.19Å; T234-I237 WeakPolarHBondContact O-CB 3.37Å; T234-I237 PolarHBondContact O-N 3.49Å; T234-I237 VanDerWaalsContact O-N 3.13Å; R235-I237 VanDerWaalsContact C-N 3.34Å; I237-R239 HydrophobicContact CG2-CG 4.14Å; I237-L258 HydrophobicContact CD1-CB 4.35Å; I237-L258 HydrophobicContact CG1-CB 3.71Å; I237-W259 HydrophobicContact CD1-CD2 4.25Å; I237-W259 HydrophobicContact CD1-CE3 4.25Å; I237-W259 HydrophobicContact CG2-CD2 3.91Å; I237-W259 HydrophobicContact CG2-CE3 4.39Å; I237-W259 HydrophobicContact CG2-CH2 3.81Å; I237-W259 HydrophobicContact CG2-CZ2 3.23Å; I237-W259 HydrophobicContact CG2-CZ3 4.35Å; I237-Y262 HydrophobicContact CD1-CD1 4.43Å; I237-Y262 HydrophobicContact CD1-CG 4.4Å | ||
| 238 | N | 95.2 | Very high | 94.4 | Very high | 64 Ų | 64 | 59.1 Ų | 59.1 | 34% | 0.342 | 31% | 0.313 | S | S | . | . | trans | -92.3 | 101 | 174.7 | -176 | -8.8 | 0 | 0 | 0 | 110.4 | G236 C240 L241 | G236-N238 PolarHBondContact O-N 2.82Å; N238-C240 PolarHBondContact O-N 3.41Å; N238-C240 WeakPolarHBondContact OD1-CA 3.31Å; N238-C240 WeakPolarHBondContact OD1-CB 3.14Å; N238-C240 PolarHBondContact OD1-N 3.01Å; N238-L241 HydrophobicContact CB-CD1 3.99Å; N238-L241 HydrophobicContact CB-CD2 4.5Å; N238-L241 HydrophobicContact CB-CG 3.86Å; N238-L241 WeakPolarHBondContact O-CG 3.36Å | ||
| 239 | R | 93.9 | Very high | 94 | Very high | 53 Ų | 53 | 56.1 Ų | 56.1 | 20% | 0.2 | 31% | 0.31 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.1 | -4.6 | 179 | -63.5 | 172 | 179.5 | 73.9 | -9.7 | 113.8 | T234 I237 W259 | T234-R239 PolarHBondContact OG1-NH2 3.41Å; T234-R239 VanDerWaalsContact OG1-NH2 3.12Å; I237-R239 HydrophobicContact CG2-CG 4.14Å; R239-W259 HydrophobicContact CG-CH2 4.21Å; R239-W259 HydrophobicContact CG-CZ2 4.2Å |
| 240 | C | 92 | Very high | 93.6 | Very high | 84 Ų | 84 | 61.9 Ų | 61.9 | 57% | 0.568 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.4 | 1.3 | 179.2 | -57.5 | 0 | 0 | 0 | 0 | 113 | R55 N238 | R55-C240 PolarHBondContact NH1-O 3.14Å; N238-C240 PolarHBondContact O-N 3.41Å; N238-C240 WeakPolarHBondContact OD1-CA 3.31Å; N238-C240 WeakPolarHBondContact OD1-CB 3.14Å; N238-C240 PolarHBondContact OD1-N 3.01Å |
| 241 | L | 93.2 | Very high | 93.3 | Very high | 61 Ų | 61 | 66.6 Ų | 66.6 | 32% | 0.319 | 36% | 0.356 | S | S | . | . | trans | -62.6 | 147.4 | 176.2 | -69.9 | 173.9 | 0 | 0 | 0 | 110.9 | N238 Q255 C293 | N238-L241 HydrophobicContact CB-CD1 3.99Å; N238-L241 HydrophobicContact CB-CD2 4.5Å; N238-L241 HydrophobicContact CB-CG 3.86Å; N238-L241 WeakPolarHBondContact O-CG 3.36Å; L241-Q255 HydrophobicContact CD1-CB 4.27Å; L241-Q255 HydrophobicContact CD1-CG 3.81Å; L241-C293 HydrophobicContact CB-CB 4.07Å | ||
| 242 | V | 93.6 | Very high | 93 | Very high | 11 Ų | 11 | 65 Ų | 65 | 7% | 0.067 | 35% | 0.349 | C | S | . | . | trans | -104.6 | 130.5 | 171.1 | 168.7 | 0 | 0 | 0 | 0 | 107.4 | V21 F50 A53 R55 F56 V244 | V21-V242 HydrophobicContact CG1-CB 4.16Å; V21-V242 HydrophobicContact CG1-CG2 4.37Å; V21-V242 HydrophobicContact CG2-CB 4.17Å; V21-V242 HydrophobicContact CG2-CG1 4.05Å; F50-V242 HydrophobicContact CB-CG1 4.04Å; F50-V242 HydrophobicContact CD1-CG1 3.17Å; F50-V242 HydrophobicContact CD2-CG1 4.5Å; F50-V242 HydrophobicContact CE1-CG1 3.63Å; F50-V242 HydrophobicContact CG-CG1 3.67Å; F50-V242 HydrophobicContact CZ-CG1 4.46Å; A53-V242 HydrophobicContact CB-CG1 4.32Å; A53-V242 HydrophobicContact CB-CG2 3.95Å; R55-V242 VanDerWaalsContact NE-CG2 3.28Å; R55-V242 VanDerWaalsContact NH2-CG2 3.31Å; F56-V242 HydrophobicContact CD2-CG2 4.49Å; F56-V242 HydrophobicContact CE2-CG1 4.17Å; F56-V242 HydrophobicContact CE2-CG2 3.82Å; F56-V242 HydrophobicContact CZ-CG2 4.1Å; V242-V244 PolarHBondContact O-N 3.36Å | ||
| 243 | S | 93 | Very high | 92.9 | Very high | 0 Ų | 0 | 65.1 Ų | 65.1 | 0% | 0 | 34% | 0.343 | C | S | . | . | trans | -54 | 121.8 | 174.3 | -172.6 | 0 | 0 | 0 | 0 | 110.9 | N52 C293 G295 F296 | N52-S243 VanDerWaalsContact ND2-CB 3.28Å; N52-S243 WeakPolarHBondContact ND2-CB 3.48Å; S243-C293 WeakPolarHBondContact CA-O 3.35Å; S243-G295 WeakPolarHBondContact OG-CA 3.39Å; S243-G295 PolarHBondContact OG-N 3.04Å; S243-F296 VanDerWaalsContact C-CD2 3.47Å; S243-F296 VanDerWaalsContact O-CE2 3.28Å; S243-F296 WeakPolarHBondContact O-CE2 3.31Å; S243-F296 WeakPolarHBondContact OG-CD2 3.47Å; S243-F296 PolarHBondContact OG-N 2.97Å; S243-F296 VanDerWaalsContact OG-N 3.16Å | ||
| 244 | V | 92.2 | Very high | 92.8 | Very high | 34 Ų | 34 | 70.5 Ų | 70.5 | 21% | 0.206 | 36% | 0.36 | C | S | . | . | trans | -135.6 | 154.2 | 173.5 | -67.7 | 0 | 0 | 0 | 0 | 110.3 | F19 V21 F50 V242 F296 | F19-V244 HydrophobicContact CB-CB 4.42Å; F19-V244 HydrophobicContact CB-CG1 4.17Å; F19-V244 HydrophobicContact CD1-CG1 4.45Å; V21-V244 HydrophobicContact CG2-CG1 3.45Å; V21-V244 VanDerWaalsContact CG2-CG1 3.45Å; F50-V244 HydrophobicContact CE1-CG1 4.21Å; V242-V244 PolarHBondContact O-N 3.36Å; V244-F296 VanDerWaalsContact N-CD2 3.34Å; V244-F296 VanDerWaalsContact O-CB 3.32Å; V244-F296 WeakPolarHBondContact O-CB 3.48Å; V244-F296 WeakPolarHBondContact O-CD2 3.32Å | ||
| 245 | P | 90.6 | Very high | 92.9 | Very high | 39 Ų | 39 | 70.4 Ų | 70.4 | 25% | 0.253 | 36% | 0.359 | S | S | . | . | trans | -52.4 | 145.4 | 176.3 | -28.4 | 34.9 | 0 | 0 | 0 | 112.9 | F19 R247 F296 | F19-P245 HydrophobicContact CD1-CG 4.1Å; F19-P245 HydrophobicContact CD2-CG 3.7Å; F19-P245 HydrophobicContact CE1-CG 4.04Å; F19-P245 HydrophobicContact CE2-CG 3.62Å; F19-P245 VanDerWaalsContact CG-CD 3.4Å; F19-P245 HydrophobicContact CG-CG 3.94Å; F19-P245 HydrophobicContact CZ-CG 3.78Å; P245-R247 PolarHBondContact O-N 2.96Å; P245-F296 HydrophobicContact CB-CD1 4.38Å; P245-F296 HydrophobicContact CG-CD1 3.86Å; P245-F296 HydrophobicContact CG-CE1 3.96Å; P245-F296 HydrophobicContact CG-CG 4.23Å; P245-F296 HydrophobicContact CG-CZ 4.42Å | ||
| 246 | P | 90.2 | Very high | 92.8 | Very high | 59 Ų | 59 | 63 Ų | 63 | 38% | 0.383 | 33% | 0.333 | S | S | . | . | trans | -61.8 | 131.9 | -174.1 | -24.6 | 35.1 | 0 | 0 | 0 | 112.5 | E252 F296 | P246-E252 WeakPolarHBondContact CA-OE1 3.47Å; P246-E252 WeakPolarHBondContact CB-OE1 3.44Å; P246-F296 VanDerWaalsContact CD-O 3.31Å; P246-F296 WeakPolarHBondContact CD-O 3.43Å; P246-F296 WeakPolarHBondContact CG-O 3.38Å | ||
| 247 | R | 87.6 | Confident | 92.9 | Very high | 130 Ų | 130 | 67.9 Ų | 67.9 | 49% | 0.491 | 34% | 0.342 | S | S | . | . | trans | -116.2 | -4.6 | 177.2 | -64.1 | -177.7 | -172.5 | 165 | 5.5 | 112.3 | N17 F19 P245 T249 E252 | N17-R247 PolarHBondContact ND2-NH2 3.02Å; N17-R247 VanDerWaalsContact ND2-NH2 3.16Å; F19-R247 PolarHBondContact O-NH2 3.4Å; F19-R247 VanDerWaalsContact O-NH2 3.1Å; P245-R247 PolarHBondContact O-N 2.96Å; R247-T249 HydrophobicContact CB-CG2 4.03Å; R247-T249 PolarHBondContact O-N 3.39Å; R247-E252 WeakPolarHBondContact CA-OE2 3.38Å; R247-E252 PolarHBondContact N-OE1 3.33Å; R247-E252 PolarHBondContact N-OE2 3.41Å | ||
| 248 | N | 88.3 | Confident | 93 | Very high | 131 Ų | 131 | 69.1 Ų | 69.1 | 70% | 0.701 | 35% | 0.348 | S | S | * | . | trans | 55.7 | 33.2 | -176.6 | -64.5 | -37.9 | 0 | 0 | 0 | 113.4 | E252 | N248-E252 PolarHBondContact N-OE2 3.3Š| ||
| 249 | T | 88.9 | Confident | 93.1 | Very high | 71 Ų | 71 | 66.1 Ų | 66.1 | 44% | 0.436 | 33% | 0.332 | S | S | . | . | trans | -69.8 | 151.4 | 173 | 65.5 | 0 | 0 | 0 | 0 | 110.6 | R247 Q251 E252 V253 | R247-T249 HydrophobicContact CB-CG2 4.03Å; R247-T249 PolarHBondContact O-N 3.39Å; T249-Q251 PolarHBondContact O-N 3.11Å; T249-E252 PolarHBondContact N-OE2 3.01Å; T249-E252 WeakPolarHBondContact O-CB 3.46Å; T249-E252 PolarHBondContact O-N 2.94Å; T249-E252 WeakPolarHBondContact OG1-CB 3.47Å; T249-E252 PolarHBondContact OG1-N 2.85Å; T249-V253 WeakPolarHBondContact O-CG2 3.26Å; T249-V253 PolarHBondContact O-N 3.31Å | ||
| 250 | L | 89.5 | Confident | 93.3 | Very high | 163 Ų | 163 | 66.4 Ų | 66.4 | 85% | 0.853 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -54.6 | -39.5 | 179.2 | -67.7 | 176.1 | 0 | 0 | 0 | 112.7 | R254 | L250-R254 WeakPolarHBondContact O-CB 3.46Å; L250-R254 PolarHBondContact O-N 3.37Å |
| 251 | Q | 91.3 | Very high | 93.6 | Very high | 100 Ų | 100 | 64.7 Ų | 64.7 | 47% | 0.467 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -68 | -40.6 | 178.2 | -177.8 | 61.9 | 11.5 | 0 | 0 | 112.1 | T249 R254 Q255 | T249-Q251 PolarHBondContact O-N 3.11Å; Q251-R254 PolarHBondContact O-N 3.35Å; Q251-Q255 VanDerWaalsContact O-CG 3.3Å; Q251-Q255 WeakPolarHBondContact O-CG 3.37Å; Q251-Q255 PolarHBondContact O-N 2.93Å |
| 252 | E | 92.3 | Very high | 93.9 | Very high | 25 Ų | 25 | 62.2 Ų | 62.2 | 12% | 0.117 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -64.5 | -48.1 | 176.6 | -178.4 | -168.9 | 161.5 | 0 | 0 | 111.4 | P246 R247 N248 T249 R254 Q255 H256 H297 | P246-E252 WeakPolarHBondContact CA-OE1 3.47Å; P246-E252 WeakPolarHBondContact CB-OE1 3.44Å; R247-E252 WeakPolarHBondContact CA-OE2 3.38Å; R247-E252 PolarHBondContact N-OE1 3.33Å; R247-E252 PolarHBondContact N-OE2 3.41Å; N248-E252 PolarHBondContact N-OE2 3.3Å; T249-E252 PolarHBondContact N-OE2 3.01Å; T249-E252 WeakPolarHBondContact O-CB 3.46Å; T249-E252 PolarHBondContact O-N 2.94Å; T249-E252 WeakPolarHBondContact OG1-CB 3.47Å; T249-E252 PolarHBondContact OG1-N 2.85Å; E252-R254 PolarHBondContact O-N 3.41Å; E252-Q255 PolarHBondContact O-N 3.18Å; E252-Q255 VanDerWaalsContact O-N 3.11Å; E252-H256 WeakPolarHBondContact O-CB 3.27Å; E252-H256 PolarHBondContact O-N 3.04Å; E252-H297 IonicContact OE1-CE1 3.93Å; E252-H297 PolarHBondContact OE1-CE1 2.98Å; E252-H297 VanDerWaalsContact OE1-CE1 3.31Å; E252-H297 IonicContact OE1-NE2 3.85Å; E252-H297 PolarHBondContact OE1-NE2 3.49Å |
| 253 | V | 93.9 | Very high | 94.1 | Very high | 56 Ų | 56 | 62 Ų | 62 | 34% | 0.339 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -58.1 | -40.3 | 175.9 | 174.9 | 0 | 0 | 0 | 0 | 110.7 | T249 K257 | T249-V253 WeakPolarHBondContact O-CG2 3.26Å; T249-V253 PolarHBondContact O-N 3.31Å; V253-K257 HydrophobicContact CG1-CD 4.46Å; V253-K257 WeakPolarHBondContact O-CG 3.43Å; V253-K257 PolarHBondContact O-N 3.43Å |
| 254 | R | 96.5 | Very high | 94.4 | Very high | 147 Ų | 147 | 69.6 Ų | 69.6 | 56% | 0.555 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -63.8 | -46.9 | 174.9 | -179.1 | -178.9 | 176.4 | 177.1 | 1.6 | 112.1 | L250 Q251 E252 K257 L258 | L250-R254 WeakPolarHBondContact O-CB 3.46Å; L250-R254 PolarHBondContact O-N 3.37Å; Q251-R254 PolarHBondContact O-N 3.35Å; E252-R254 PolarHBondContact O-N 3.41Å; R254-K257 PolarHBondContact O-N 3.02Å; R254-L258 HydrophobicContact CG-CD1 4.26Å; R254-L258 WeakPolarHBondContact O-CG 3.35Å; R254-L258 PolarHBondContact O-N 3.19Å |
| 255 | Q | 97.1 | Very high | 94.7 | Very high | 3 Ų | 3 | 70.4 Ų | 70.4 | 1% | 0.014 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -63.9 | -42.5 | 179.1 | -70.9 | -66.7 | -51 | 0 | 0 | 111.7 | G236 L241 Q251 E252 K257 L258 W259 | G236-Q255 PolarHBondContact O-NE2 3.45Å; L241-Q255 HydrophobicContact CD1-CB 4.27Å; L241-Q255 HydrophobicContact CD1-CG 3.81Å; Q251-Q255 VanDerWaalsContact O-CG 3.3Å; Q251-Q255 WeakPolarHBondContact O-CG 3.37Å; Q251-Q255 PolarHBondContact O-N 2.93Å; E252-Q255 PolarHBondContact O-N 3.18Å; E252-Q255 VanDerWaalsContact O-N 3.11Å; Q255-K257 PolarHBondContact O-N 3.17Å; Q255-L258 PolarHBondContact O-N 3.33Å; Q255-W259 VanDerWaalsContact O-CD1 3.25Å; Q255-W259 PolarHBondContact O-N 3.04Å |
| 256 | H | 96.5 | Very high | 95.1 | Very high | 37 Ų | 37 | 68.6 Ų | 68.6 | 17% | 0.171 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -56.7 | -48.3 | 174.4 | -179.4 | -92.9 | 0 | 0 | 0 | 111.7 | E252 L258 W259 K260 L294 H297 D299 | E252-H256 WeakPolarHBondContact O-CB 3.27Å; E252-H256 PolarHBondContact O-N 3.04Å; H256-L258 PolarHBondContact O-N 3.35Å; H256-W259 PolarHBondContact O-N 3.18Å; H256-K260 WeakPolarHBondContact CE1-CD 3.28Å; H256-K260 WeakPolarHBondContact O-CG 3.28Å; H256-K260 PolarHBondContact O-N 3.49Å; H256-L294 HydrophobicContact CB-CD1 4.3Å; H256-H297 AromaticContact CD2-CG 4Å; H256-H297 AromaticContact CD2-ND1 3.44Å; H256-H297 PolarHBondContact CD2-ND1 3.35Å; H256-D299 IonicContact CE1-OD2 3.11Å; H256-D299 PolarHBondContact CE1-OD2 2.86Å; H256-D299 IonicContact NE2-OD1 2.66Å; H256-D299 IonicContact NE2-OD2 3.63Å; H256-D299 PolarHBondContact NE2-OD2 3.07Å |
| 257 | K | 97.7 | Very high | 95.5 | Very high | 144 Ų | 144 | 69.4 Ų | 69.4 | 63% | 0.626 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -59.1 | -43.8 | 174.9 | -74 | 178.8 | -179.3 | -177 | 0 | 113.1 | V253 R254 Q255 K260 A261 | V253-K257 HydrophobicContact CG1-CD 4.46Å; V253-K257 WeakPolarHBondContact O-CG 3.43Å; V253-K257 PolarHBondContact O-N 3.43Å; R254-K257 PolarHBondContact O-N 3.02Å; Q255-K257 PolarHBondContact O-N 3.17Å; K257-K260 PolarHBondContact O-N 3.2Å; K257-A261 WeakPolarHBondContact O-CB 3.25Å; K257-A261 PolarHBondContact O-N 3.2Å |
| 258 | L | 98.5 | Very high | 96 | Very high | 39 Ų | 39 | 67 Ų | 67 | 20% | 0.204 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -65.8 | -42.8 | 179.7 | -70.3 | 172 | 0 | 0 | 0 | 112.2 | I237 R254 Q255 H256 A261 Y262 | I237-L258 HydrophobicContact CD1-CB 4.35Å; I237-L258 HydrophobicContact CG1-CB 3.71Å; R254-L258 HydrophobicContact CG-CD1 4.26Å; R254-L258 WeakPolarHBondContact O-CG 3.35Å; R254-L258 PolarHBondContact O-N 3.19Å; Q255-L258 PolarHBondContact O-N 3.33Å; H256-L258 PolarHBondContact O-N 3.35Å; L258-A261 PolarHBondContact O-N 3.24Å; L258-Y262 PolarHBondContact O-N 3Å |
| 259 | W | 98.5 | Very high | 96.4 | Very high | 1 Ų | 1 | 62.5 Ų | 62.5 | 0% | 0.004 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -62.4 | -44.4 | 175.6 | -83.3 | 111.3 | 0 | 0 | 0 | 112 | I237 R239 Q255 H256 A261 Y262 I263 Q289 A290 C293 L294 | I237-W259 HydrophobicContact CD1-CD2 4.25Å; I237-W259 HydrophobicContact CD1-CE3 4.25Å; I237-W259 HydrophobicContact CG2-CD2 3.91Å; I237-W259 HydrophobicContact CG2-CE3 4.39Å; I237-W259 HydrophobicContact CG2-CH2 3.81Å; I237-W259 HydrophobicContact CG2-CZ2 3.23Å; I237-W259 HydrophobicContact CG2-CZ3 4.35Å; R239-W259 HydrophobicContact CG-CH2 4.21Å; R239-W259 HydrophobicContact CG-CZ2 4.2Å; Q255-W259 VanDerWaalsContact O-CD1 3.25Å; Q255-W259 PolarHBondContact O-N 3.04Å; H256-W259 PolarHBondContact O-N 3.18Å; W259-A261 VanDerWaalsContact C-N 3.33Å; W259-A261 PolarHBondContact O-N 3.04Å; W259-Y262 AromaticContact CE3-CD1 3.92Å; W259-Y262 HydrophobicContact CE3-CD1 3.92Å; W259-Y262 AromaticContact CZ3-CD1 3.88Å; W259-Y262 HydrophobicContact CZ3-CD1 3.88Å; W259-Y262 HydrophobicContact CZ3-CE1 4.08Å; W259-Y262 PolarHBondContact O-N 2.76Å; W259-I263 WeakPolarHBondContact O-CG1 3.32Å; W259-I263 PolarHBondContact O-N 3.25Å; W259-Q289 HydrophobicContact CH2-CB 3.79Å; W259-Q289 HydrophobicContact CZ3-CB 3.78Å; W259-A290 HydrophobicContact CB-CB 4.29Å; W259-A290 HydrophobicContact CD2-CB 3.83Å; W259-A290 HydrophobicContact CE3-CB 3.58Å; W259-A290 HydrophobicContact CG-CB 4.17Å; W259-A290 HydrophobicContact CZ3-CB 4.17Å; W259-C293 HydrophobicContact CZ2-CB 4.34Å; W259-L294 HydrophobicContact CB-CD1 3.99Å; W259-L294 HydrophobicContact CG-CD1 3.94Å |
| 260 | K | 98.4 | Very high | 96.8 | Very high | 59 Ų | 59 | 60.5 Ų | 60.5 | 26% | 0.257 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -64.6 | -37.2 | 176.2 | -67.3 | -172.1 | 86.1 | 154.1 | 0 | 112.3 | H256 K257 I263 K264 D299 L300 E303 | H256-K260 WeakPolarHBondContact CE1-CD 3.28Å; H256-K260 WeakPolarHBondContact O-CG 3.28Å; H256-K260 PolarHBondContact O-N 3.49Å; K257-K260 PolarHBondContact O-N 3.2Å; K260-I263 PolarHBondContact O-N 3.42Å; K260-K264 VanDerWaalsContact O-CB 3.28Å; K260-K264 WeakPolarHBondContact O-CB 3.36Å; K260-K264 PolarHBondContact O-N 2.85Å; K260-D299 IonicContact NZ-OD2 3.69Å; K260-D299 PolarHBondContact NZ-OD2 2.94Å; K260-L300 HydrophobicContact CD-CD2 4.32Å; K260-L300 HydrophobicContact CG-CD2 3.95Å; K260-E303 WeakPolarHBondContact CE-OE1 3.09Å; K260-E303 WeakPolarHBondContact CE-OE2 3.35Å; K260-E303 IonicContact NZ-OE1 2.81Å; K260-E303 PolarHBondContact NZ-OE1 3.16Å; K260-E303 IonicContact NZ-OE2 3.79Å; K260-E303 PolarHBondContact NZ-OE2 3.09Å |
| 261 | A | 98.4 | Very high | 97.2 | Very high | 48 Ų | 48 | 53.3 Ų | 53.3 | 40% | 0.397 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -62.6 | -43.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112 | K257 L258 W259 W265 | K257-A261 WeakPolarHBondContact O-CB 3.25Å; K257-A261 PolarHBondContact O-N 3.2Å; L258-A261 PolarHBondContact O-N 3.24Å; W259-A261 VanDerWaalsContact C-N 3.33Å; W259-A261 PolarHBondContact O-N 3.04Å; A261-W265 WeakPolarHBondContact O-CB 3.42Å; A261-W265 PolarHBondContact O-N 2.84Å |
| 262 | Y | 98.7 | Very high | 97.4 | Very high | 10 Ų | 10 | 56.2 Ų | 56.2 | 4% | 0.039 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -64 | -46.1 | 175.6 | 168.2 | -128.9 | 0 | 0 | 0 | 112.4 | M230 V233 T234 I237 L258 W259 K264 W265 E266 A286 | M230-Y262 HydrophobicContact CE-CE2 3.75Å; M230-Y262 WeakPolarHBondContact CE-OH 3.3Å; M230-Y262 HydrophobicContact CG-CE2 4.25Å; V233-Y262 HydrophobicContact CG1-CD2 3.91Å; T234-Y262 HydrophobicContact CG2-CD1 4.15Å; T234-Y262 HydrophobicContact CG2-CD2 3.47Å; T234-Y262 VanDerWaalsContact CG2-CD2 3.47Å; T234-Y262 HydrophobicContact CG2-CE1 4.42Å; T234-Y262 HydrophobicContact CG2-CE2 3.79Å; T234-Y262 HydrophobicContact CG2-CG 3.67Å; I237-Y262 HydrophobicContact CD1-CD1 4.43Å; I237-Y262 HydrophobicContact CD1-CG 4.4Å; L258-Y262 PolarHBondContact O-N 3Å; W259-Y262 AromaticContact CE3-CD1 3.92Å; W259-Y262 HydrophobicContact CE3-CD1 3.92Å; W259-Y262 AromaticContact CZ3-CD1 3.88Å; W259-Y262 HydrophobicContact CZ3-CD1 3.88Å; W259-Y262 HydrophobicContact CZ3-CE1 4.08Å; W259-Y262 PolarHBondContact O-N 2.76Å; Y262-K264 PolarHBondContact O-N 3.02Å; Y262-W265 HydrophobicContact CD2-CE3 4.09Å; Y262-W265 HydrophobicContact CE2-CE3 4.15Å; Y262-W265 HydrophobicContact CE2-CZ3 4.25Å; Y262-W265 WeakPolarHBondContact O-CB 3.25Å; Y262-W265 PolarHBondContact O-N 2.71Å; Y262-E266 PolarHBondContact O-N 3.3Å; Y262-A286 HydrophobicContact CD1-CB 4.32Å; Y262-A286 HydrophobicContact CE1-CB 3.65Å |
| 263 | I | 98.7 | Very high | 97.6 | Very high | 5 Ų | 5 | 56.6 Ų | 56.6 | 3% | 0.026 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -60.5 | -46.6 | 177.2 | -70.2 | 161.3 | 0 | 0 | 0 | 110.8 | W259 K260 W265 E266 M267 A286 F287 A290 L300 | W259-I263 WeakPolarHBondContact O-CG1 3.32Å; W259-I263 PolarHBondContact O-N 3.25Å; K260-I263 PolarHBondContact O-N 3.42Å; I263-W265 VanDerWaalsContact C-N 3.28Å; I263-W265 PolarHBondContact O-N 3.26Å; I263-E266 PolarHBondContact O-N 3.33Å; I263-M267 HydrophobicContact CG2-CE 3.68Å; I263-M267 HydrophobicContact CG2-SD 4.3Å; I263-M267 WeakPolarHBondContact O-CG 3.41Å; I263-M267 PolarHBondContact O-N 3.09Å; I263-A286 HydrophobicContact CG1-CB 4.14Å; I263-F287 HydrophobicContact CD1-CD1 3.69Å; I263-F287 HydrophobicContact CD1-CE1 3.91Å; I263-F287 HydrophobicContact CD1-CG 4.36Å; I263-F287 HydrophobicContact CG1-CD1 4.38Å; I263-F287 HydrophobicContact CG2-CD1 4.23Å; I263-F287 HydrophobicContact CG2-CD2 4.27Å; I263-F287 HydrophobicContact CG2-CE1 3.74Å; I263-F287 HydrophobicContact CG2-CE2 3.78Å; I263-F287 HydrophobicContact CG2-CG 4.48Å; I263-F287 HydrophobicContact CG2-CZ 3.51Å; I263-A290 HydrophobicContact CD1-CB 3.89Å; I263-L300 HydrophobicContact CD1-CD2 4.41Å |
| 264 | K | 98.6 | Very high | 97.6 | Very high | 161 Ų | 161 | 62.2 Ų | 62.2 | 70% | 0.7 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -60.6 | -38.8 | 176.3 | -175.7 | 179.1 | 179.7 | -179.4 | 0 | 111.9 | K260 Y262 M267 S268 | K260-K264 VanDerWaalsContact O-CB 3.28Å; K260-K264 WeakPolarHBondContact O-CB 3.36Å; K260-K264 PolarHBondContact O-N 2.85Å; Y262-K264 PolarHBondContact O-N 3.02Å; K264-M267 WeakPolarHBondContact O-CB 3.37Å; K264-M267 PolarHBondContact O-N 3.41Å; K264-S268 PolarHBondContact O-N 3.44Å; K264-S268 VanDerWaalsContact O-N 3.14Å |
| 265 | W | 98.5 | Very high | 97.6 | Very high | 50 Ų | 50 | 59.1 Ų | 59.1 | 19% | 0.189 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -64.8 | -43 | 174.8 | 176.7 | 84.5 | 0 | 0 | 0 | 111.8 | V226 A229 M230 V233 A261 Y262 I263 M267 S268 P270 | V226-W265 HydrophobicContact CG1-CH2 3.77Å; V226-W265 HydrophobicContact CG1-CZ2 4.24Å; A229-W265 HydrophobicContact CB-CZ2 3.83Å; M230-W265 HydrophobicContact CB-CH2 3.64Å; M230-W265 HydrophobicContact CB-CZ2 4.5Å; M230-W265 HydrophobicContact CB-CZ3 3.97Å; M230-W265 HydrophobicContact CG-CH2 4.03Å; M230-W265 HydrophobicContact CG-CZ3 3.83Å; V233-W265 HydrophobicContact CB-CD2 4.49Å; V233-W265 HydrophobicContact CB-CG 4.35Å; V233-W265 HydrophobicContact CG1-CB 4.48Å; V233-W265 HydrophobicContact CG1-CD2 3.82Å; V233-W265 HydrophobicContact CG1-CE3 3.86Å; V233-W265 HydrophobicContact CG1-CG 4.11Å; V233-W265 HydrophobicContact CG1-CZ3 4.39Å; V233-W265 HydrophobicContact CG2-CB 3.93Å; V233-W265 HydrophobicContact CG2-CG 4.12Å; A261-W265 WeakPolarHBondContact O-CB 3.42Å; A261-W265 PolarHBondContact O-N 2.84Å; Y262-W265 HydrophobicContact CD2-CE3 4.09Å; Y262-W265 HydrophobicContact CE2-CE3 4.15Å; Y262-W265 HydrophobicContact CE2-CZ3 4.25Å; Y262-W265 WeakPolarHBondContact O-CB 3.25Å; Y262-W265 PolarHBondContact O-N 2.71Å; I263-W265 VanDerWaalsContact C-N 3.28Å; I263-W265 PolarHBondContact O-N 3.26Å; W265-M267 VanDerWaalsContact C-N 3.32Å; W265-M267 PolarHBondContact O-N 2.93Å; W265-S268 WeakPolarHBondContact O-CB 3.28Å; W265-S268 PolarHBondContact O-N 3.15Å; W265-S268 VanDerWaalsContact O-N 3.07Å; W265-S268 PolarHBondContact O-OG 3.5Å; W265-P270 HydrophobicContact CD2-CG 4.24Å; W265-P270 HydrophobicContact CE3-CG 4.15Å; W265-P270 HydrophobicContact CH2-CB 3.92Å; W265-P270 HydrophobicContact CH2-CG 3.57Å; W265-P270 HydrophobicContact CZ2-CB 3.48Å; W265-P270 VanDerWaalsContact CZ2-CB 3.48Å; W265-P270 HydrophobicContact CZ2-CG 3.64Å; W265-P270 HydrophobicContact CZ3-CG 3.83Å |
| 266 | E | 98.3 | Very high | 97.5 | Very high | 2 Ų | 2 | 60.1 Ų | 60.1 | 1% | 0.009 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -63.7 | -38.9 | 176 | -162.6 | 61 | -123 | 0 | 0 | 111.6 | Y262 I263 S268 N269 R282 V283 A286 | Y262-E266 PolarHBondContact O-N 3.3Å; I263-E266 PolarHBondContact O-N 3.33Å; E266-S268 PolarHBondContact O-N 2.87Å; E266-N269 PolarHBondContact O-N 3.28Å; E266-N269 VanDerWaalsContact O-N 3.16Å; E266-R282 HydrophobicContact CG-CB 4.04Å; E266-R282 WeakPolarHBondContact OE1-CB 3.48Å; E266-R282 IonicContact OE1-CZ 3.4Å; E266-R282 IonicContact OE1-NE 3.44Å; E266-R282 PolarHBondContact OE1-NE 3.38Å; E266-R282 IonicContact OE1-NH2 2.89Å; E266-R282 PolarHBondContact OE1-NH2 2.84Å; E266-R282 IonicContact OE2-CZ 2.91Å; E266-R282 IonicContact OE2-NH2 2.8Å; E266-R282 PolarHBondContact OE2-NH2 3.13Å; E266-V283 HydrophobicContact CB-CG2 4.28Å; E266-V283 HydrophobicContact CG-CG2 3.94Å; E266-A286 HydrophobicContact CB-CB 4.36Å; E266-A286 HydrophobicContact CG-CB 4.36Å |
| 267 | M | 98.2 | Very high | 97.5 | Very high | 75 Ų | 75 | 58.9 Ų | 58.9 | 37% | 0.369 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -61.9 | -26.2 | 173.2 | -71.6 | 175.9 | 177.5 | 0 | 0 | 113.5 | I263 K264 W265 N269 V283 F287 Y307 | I263-M267 HydrophobicContact CG2-CE 3.68Å; I263-M267 HydrophobicContact CG2-SD 4.3Å; I263-M267 WeakPolarHBondContact O-CG 3.41Å; I263-M267 PolarHBondContact O-N 3.09Å; K264-M267 WeakPolarHBondContact O-CB 3.37Å; K264-M267 PolarHBondContact O-N 3.41Å; W265-M267 VanDerWaalsContact C-N 3.32Å; W265-M267 PolarHBondContact O-N 2.93Å; M267-N269 PolarHBondContact O-N 3Å; M267-N269 VanDerWaalsContact O-N 3.13Å; M267-V283 HydrophobicContact CE-CG1 3.89Å; M267-V283 HydrophobicContact CG-CG1 3.65Å; M267-V283 HydrophobicContact CG-CG2 4.06Å; M267-F287 HydrophobicContact CE-CE2 3.36Å; M267-F287 HydrophobicContact CE-CZ 3.39Å; M267-Y307 HydrophobicContact CE-CD2 3.75Å; M267-Y307 HydrophobicContact CE-CE2 4.48Å; M267-Y307 HydrophobicContact CE-CG 4.05Å; M267-Y307 HydrophobicContact CG-CD2 4.37Å; M267-Y307 HydrophobicContact CG-CE2 4.24Å; M267-Y307 HydrophobicContact SD-CD2 4.48Å |
| 268 | S | 98.1 | Very high | 97.4 | Very high | 80 Ų | 80 | 54.6 Ų | 54.6 | 56% | 0.559 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.8 | 1.2 | 177.2 | 77.3 | 0 | 0 | 0 | 0 | 113.9 | K264 W265 E266 | K264-S268 PolarHBondContact O-N 3.44Å; K264-S268 VanDerWaalsContact O-N 3.14Å; W265-S268 WeakPolarHBondContact O-CB 3.28Å; W265-S268 PolarHBondContact O-N 3.15Å; W265-S268 VanDerWaalsContact O-N 3.07Å; W265-S268 PolarHBondContact O-OG 3.5Å; E266-S268 PolarHBondContact O-N 2.87Å |
| 269 | N | 98 | Very high | 97.4 | Very high | 37 Ų | 37 | 53.6 Ų | 53.6 | 20% | 0.198 | 28% | 0.275 | C | S | . | . | trans | 53.8 | 64.4 | -180 | -171.5 | 13.2 | 0 | 0 | 0 | 112.4 | E266 M267 L271 Q272 T273 L279 | E266-N269 PolarHBondContact O-N 3.28Å; E266-N269 VanDerWaalsContact O-N 3.16Å; M267-N269 PolarHBondContact O-N 3Å; M267-N269 VanDerWaalsContact O-N 3.13Å; N269-L271 PolarHBondContact O-N 3.19Å; N269-L271 VanDerWaalsContact O-N 3.16Å; N269-Q272 PolarHBondContact O-N 3.39Å; N269-Q272 PolarHBondContact OD1-N 3.4Å; N269-T273 PolarHBondContact ND2-N 3.38Å; N269-T273 PolarHBondContact ND2-O 3.46Å; N269-T273 WeakPolarHBondContact OD1-CG2 3.36Å; N269-T273 PolarHBondContact OD1-N 2.91Å; N269-T273 VanDerWaalsContact OD1-N 3.13Å; N269-L279 HydrophobicContact CB-CD1 3.81Å; N269-L279 HydrophobicContact CB-CD2 4.08Å | ||
| 270 | P | 97.7 | Very high | 97.4 | Very high | 28 Ų | 28 | 53.6 Ų | 53.6 | 18% | 0.182 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -21.5 | -176.8 | 26.6 | -35 | 0 | 0 | 0 | 113.4 | V226 W265 Q272 | V226-P270 HydrophobicContact CG1-CB 4.16Å; V226-P270 HydrophobicContact CG1-CG 4.19Å; V226-P270 HydrophobicContact CG2-CB 4.46Å; V226-P270 WeakPolarHBondContact CG2-O 3.42Å; W265-P270 HydrophobicContact CD2-CG 4.24Å; W265-P270 HydrophobicContact CE3-CG 4.15Å; W265-P270 HydrophobicContact CH2-CB 3.92Å; W265-P270 HydrophobicContact CH2-CG 3.57Å; W265-P270 HydrophobicContact CZ2-CB 3.48Å; W265-P270 VanDerWaalsContact CZ2-CB 3.48Å; W265-P270 HydrophobicContact CZ2-CG 3.64Å; W265-P270 HydrophobicContact CZ3-CG 3.83Å; P270-Q272 VanDerWaalsContact C-N 3.27Å |
| 271 | L | 96.8 | Very high | 97.4 | Very high | 13 Ų | 13 | 55.9 Ų | 55.9 | 7% | 0.068 | 29% | 0.286 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.2 | -11 | 172 | -78 | 172.3 | 0 | 0 | 0 | 113.3 | P186 L222 V226 N269 T273 | P186-L271 HydrophobicContact CG-CD1 4.26Å; P186-L271 HydrophobicContact CG-CD2 3.83Å; P186-L271 HydrophobicContact CG-CG 4.28Å; L222-L271 HydrophobicContact CD2-CD2 4.38Å; L222-L271 HydrophobicContact CG-CD2 4.14Å; V226-L271 HydrophobicContact CB-CD2 4.19Å; V226-L271 HydrophobicContact CG1-CD2 4.29Å; V226-L271 HydrophobicContact CG1-CG 4.32Å; V226-L271 HydrophobicContact CG2-CD2 3.91Å; V226-L271 HydrophobicContact CG2-CG 4.39Å; N269-L271 PolarHBondContact O-N 3.19Å; N269-L271 VanDerWaalsContact O-N 3.16Å; L271-T273 HydrophobicContact CB-CG2 4.42Å; L271-T273 PolarHBondContact O-N 3.46Å; L271-T273 VanDerWaalsContact O-N 3.13Å |
| 272 | Q | 96.7 | Very high | 97.4 | Very high | 160 Ų | 160 | 54 Ų | 54 | 75% | 0.748 | 27% | 0.268 | S | S | * | . | trans | 50.3 | 36.1 | -173.6 | -58.8 | 179 | -27.7 | 0 | 0 | 111.9 | N269 P270 | N269-Q272 PolarHBondContact O-N 3.39Å; N269-Q272 PolarHBondContact OD1-N 3.4Å; P270-Q272 VanDerWaalsContact C-N 3.27Å | ||
| 273 | T | 95 | Very high | 97.4 | Very high | 34 Ų | 34 | 53.6 Ų | 53.6 | 21% | 0.209 | 27% | 0.267 | C | S | . | . | trans | -78.5 | 141.5 | -178.1 | -176.5 | 0 | 0 | 0 | 0 | 110.8 | N269 L271 D275 L278 L279 | N269-T273 PolarHBondContact ND2-N 3.38Å; N269-T273 PolarHBondContact ND2-O 3.46Å; N269-T273 WeakPolarHBondContact OD1-CG2 3.36Å; N269-T273 PolarHBondContact OD1-N 2.91Å; N269-T273 VanDerWaalsContact OD1-N 3.13Å; L271-T273 HydrophobicContact CB-CG2 4.42Å; L271-T273 PolarHBondContact O-N 3.46Å; L271-T273 VanDerWaalsContact O-N 3.13Å; T273-D275 VanDerWaalsContact C-N 3.34Å; T273-D275 WeakPolarHBondContact OG1-CB 3.5Å; T273-D275 PolarHBondContact OG1-N 2.87Å; T273-D275 VanDerWaalsContact OG1-N 3.1Å; T273-L278 HydrophobicContact CG2-CD2 4.32Å; T273-L279 HydrophobicContact CG2-CB 4.22Å | ||
| 274 | E | 94.7 | Very high | 97.4 | Very high | 174 Ų | 174 | 54 Ų | 54 | 81% | 0.813 | 27% | 0.269 | S | S | * | . | S | Bend | trans | -83.8 | -16.6 | 170.6 | -63 | 178.9 | 178.1 | 0 | 0 | 112 | Q276 K318 | E274-Q276 PolarHBondContact O-N 2.84Å; E274-K318 PolarHBondContact O-NZ 3.31Å |
| 275 | D | 95.4 | Very high | 97.3 | Very high | 82 Ų | 82 | 47 Ų | 47 | 44% | 0.439 | 24% | 0.239 | S | C | . | . | trans | -70.8 | 98.7 | 175.7 | -178.4 | -7.4 | 0 | 0 | 0 | 110.2 | T273 A277 L278 L279 | T273-D275 VanDerWaalsContact C-N 3.34Å; T273-D275 WeakPolarHBondContact OG1-CB 3.5Å; T273-D275 PolarHBondContact OG1-N 2.87Å; T273-D275 VanDerWaalsContact OG1-N 3.1Å; D275-A277 VanDerWaalsContact C-N 3.26Å; D275-A277 PolarHBondContact O-N 3.46Å; D275-A277 WeakPolarHBondContact OD1-CA 3.36Å; D275-A277 WeakPolarHBondContact OD1-CB 3.38Å; D275-A277 PolarHBondContact OD1-N 3.35Å; D275-L278 HydrophobicContact CB-CB 3.92Å; D275-L278 VanDerWaalsContact CG-CB 3.5Å; D275-L278 PolarHBondContact O-N 3.24Å; D275-L278 PolarHBondContact OD1-N 3.26Å; D275-L278 WeakPolarHBondContact OD2-CB 3Å; D275-L279 PolarHBondContact O-N 3.23Å | ||
| 276 | Q | 96.1 | Very high | 97.3 | Very high | 23 Ų | 23 | 44.6 Ų | 44.6 | 11% | 0.107 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -63.3 | -33 | 178.7 | -170.2 | 60.7 | 35.8 | 0 | 0 | 112.3 | E274 T280 R314 L315 K318 | E274-Q276 PolarHBondContact O-N 2.84Å; Q276-T280 VanDerWaalsContact O-CB 3.27Å; Q276-T280 WeakPolarHBondContact O-CB 3.43Å; Q276-T280 PolarHBondContact O-N 3.05Å; Q276-T280 PolarHBondContact O-OG1 2.98Å; Q276-R314 HydrophobicContact CG-CB 4.37Å; Q276-L315 HydrophobicContact CB-CD2 3.94Å; Q276-L315 HydrophobicContact CG-CD2 3.75Å; Q276-L315 HydrophobicContact CG-CG 4.07Å; Q276-K318 HydrophobicContact CB-CD 3.81Å; Q276-K318 HydrophobicContact CG-CD 4.37Å |
| 277 | A | 96.5 | Very high | 97.3 | Very high | 12 Ų | 12 | 44.6 Ų | 44.6 | 10% | 0.099 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -69.7 | -42.1 | 179.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | D275 T280 K281 L315 F323 | D275-A277 VanDerWaalsContact C-N 3.26Å; D275-A277 PolarHBondContact O-N 3.46Å; D275-A277 WeakPolarHBondContact OD1-CA 3.36Å; D275-A277 WeakPolarHBondContact OD1-CB 3.38Å; D275-A277 PolarHBondContact OD1-N 3.35Å; A277-T280 PolarHBondContact O-N 3.39Å; A277-K281 WeakPolarHBondContact O-CB 2.81Å; A277-K281 VanDerWaalsContact O-CG 3.26Å; A277-K281 WeakPolarHBondContact O-CG 3.3Å; A277-K281 PolarHBondContact O-N 2.89Å; A277-L315 HydrophobicContact CB-CD2 4.43Å; A277-F323 HydrophobicContact CB-CD1 3.53Å; A277-F323 HydrophobicContact CB-CE1 3.71Å; A277-F323 HydrophobicContact CB-CG 4.25Å |
| 278 | L | 96.4 | Very high | 97.3 | Very high | 53 Ų | 53 | 41.1 Ų | 41.1 | 28% | 0.277 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -61.8 | -49.6 | 173.6 | 178.5 | 60.5 | 0 | 0 | 0 | 111.8 | T273 D275 T280 K281 R282 | T273-L278 HydrophobicContact CG2-CD2 4.32Å; D275-L278 HydrophobicContact CB-CB 3.92Å; D275-L278 VanDerWaalsContact CG-CB 3.5Å; D275-L278 PolarHBondContact O-N 3.24Å; D275-L278 PolarHBondContact OD1-N 3.26Å; D275-L278 WeakPolarHBondContact OD2-CB 3Å; L278-T280 VanDerWaalsContact C-N 3.3Å; L278-T280 PolarHBondContact O-N 3.43Å; L278-K281 PolarHBondContact O-N 3.15Å; L278-R282 HydrophobicContact CD1-CG 4.27Å; L278-R282 WeakPolarHBondContact O-CG 3.29Å; L278-R282 PolarHBondContact O-N 2.96Å |
| 279 | L | 98 | Very high | 97.3 | Very high | 18 Ų | 18 | 37.9 Ų | 37.9 | 9% | 0.094 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -56.2 | -47.2 | 177.4 | 176.7 | 59 | 0 | 0 | 0 | 111.2 | N269 T273 D275 K281 R282 V283 | N269-L279 HydrophobicContact CB-CD1 3.81Å; N269-L279 HydrophobicContact CB-CD2 4.08Å; T273-L279 HydrophobicContact CG2-CB 4.22Å; D275-L279 PolarHBondContact O-N 3.23Å; L279-K281 PolarHBondContact O-N 3.25Å; L279-R282 PolarHBondContact O-N 2.89Å; L279-V283 HydrophobicContact CD1-CG2 4.16Å; L279-V283 WeakPolarHBondContact O-CG2 3.33Å; L279-V283 PolarHBondContact O-N 3.24Å |
| 280 | T | 98.2 | Very high | 97.3 | Very high | 1 Ų | 1 | 36.1 Ų | 36.1 | 1% | 0.006 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -60.6 | -46.2 | 179 | -57.5 | 0 | 0 | 0 | 0 | 111.5 | Q276 A277 L278 R282 V283 V284 Y307 A311 F323 L327 | Q276-T280 VanDerWaalsContact O-CB 3.27Å; Q276-T280 WeakPolarHBondContact O-CB 3.43Å; Q276-T280 PolarHBondContact O-N 3.05Å; Q276-T280 PolarHBondContact O-OG1 2.98Å; A277-T280 PolarHBondContact O-N 3.39Å; L278-T280 VanDerWaalsContact C-N 3.3Å; L278-T280 PolarHBondContact O-N 3.43Å; T280-R282 VanDerWaalsContact C-N 3.28Å; T280-R282 PolarHBondContact O-N 2.87Å; T280-V283 PolarHBondContact O-N 3.04Å; T280-V284 HydrophobicContact CG2-CG2 4.18Å; T280-V284 VanDerWaalsContact O-CB 3.31Å; T280-V284 WeakPolarHBondContact O-CB 3.22Å; T280-V284 VanDerWaalsContact O-CG2 3.26Å; T280-V284 WeakPolarHBondContact O-CG2 3.37Å; T280-V284 PolarHBondContact O-N 3.07Å; T280-Y307 WeakPolarHBondContact CA-OH 3.44Å; T280-Y307 HydrophobicContact CG2-CE1 4.27Å; T280-A311 HydrophobicContact CG2-CB 3.81Å; T280-F323 HydrophobicContact CG2-CE1 4.14Å; T280-L327 HydrophobicContact CG2-CD1 4.14Å; T280-L327 HydrophobicContact CG2-CD2 3.71Å |
| 281 | K | 98 | Very high | 97.2 | Very high | 108 Ų | 108 | 35 Ų | 35 | 47% | 0.47 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -58.7 | -40.5 | 176.9 | -74.5 | 172.4 | -175.1 | 175 | 0 | 111.9 | L142 A277 L278 L279 F285 F323 | L142-K281 HydrophobicContact CD1-CB 4.13Å; A277-K281 WeakPolarHBondContact O-CB 2.81Å; A277-K281 VanDerWaalsContact O-CG 3.26Å; A277-K281 WeakPolarHBondContact O-CG 3.3Å; A277-K281 PolarHBondContact O-N 2.89Å; L278-K281 PolarHBondContact O-N 3.15Å; L279-K281 PolarHBondContact O-N 3.25Å; K281-F285 WeakPolarHBondContact O-CB 3.41Å; K281-F285 PolarHBondContact O-N 2.95Å; K281-F323 HydrophobicContact CD-CZ 4.31Å; K281-F323 HydrophobicContact CG-CE2 4.41Å; K281-F323 HydrophobicContact CG-CZ 3.73Å |
| 282 | R | 98.2 | Very high | 97.1 | Very high | 9 Ų | 9 | 35.1 Ų | 35.1 | 3% | 0.034 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -66.8 | -47.8 | 179.7 | -68.4 | 177 | 60.8 | 72.3 | 13.6 | 112.3 | L142 E266 L278 L279 T280 F285 A286 | L142-R282 HydrophobicContact CD1-CG 4.1Å; L142-R282 HydrophobicContact CD2-CG 4.3Å; E266-R282 HydrophobicContact CG-CB 4.04Å; E266-R282 WeakPolarHBondContact OE1-CB 3.48Å; E266-R282 IonicContact OE1-CZ 3.4Å; E266-R282 IonicContact OE1-NE 3.44Å; E266-R282 PolarHBondContact OE1-NE 3.38Å; E266-R282 IonicContact OE1-NH2 2.89Å; E266-R282 PolarHBondContact OE1-NH2 2.84Å; E266-R282 IonicContact OE2-CZ 2.91Å; E266-R282 IonicContact OE2-NH2 2.8Å; E266-R282 PolarHBondContact OE2-NH2 3.13Å; L278-R282 HydrophobicContact CD1-CG 4.27Å; L278-R282 WeakPolarHBondContact O-CG 3.29Å; L278-R282 PolarHBondContact O-N 2.96Å; L279-R282 PolarHBondContact O-N 2.89Å; T280-R282 VanDerWaalsContact C-N 3.28Å; T280-R282 PolarHBondContact O-N 2.87Å; R282-F285 PolarHBondContact O-N 3.45Å; R282-A286 PolarHBondContact O-N 2.65Å |
| 283 | V | 98.6 | Very high | 97 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -66.5 | -44 | 178.7 | 178.1 | 0 | 0 | 0 | 0 | 111.4 | E266 M267 L279 T280 F285 A286 F287 Y307 | E266-V283 HydrophobicContact CB-CG2 4.28Å; E266-V283 HydrophobicContact CG-CG2 3.94Å; M267-V283 HydrophobicContact CE-CG1 3.89Å; M267-V283 HydrophobicContact CG-CG1 3.65Å; M267-V283 HydrophobicContact CG-CG2 4.06Å; L279-V283 HydrophobicContact CD1-CG2 4.16Å; L279-V283 WeakPolarHBondContact O-CG2 3.33Å; L279-V283 PolarHBondContact O-N 3.24Å; T280-V283 PolarHBondContact O-N 3.04Å; V283-F285 VanDerWaalsContact C-N 3.3Å; V283-F285 PolarHBondContact O-N 3.42Å; V283-A286 WeakPolarHBondContact O-CB 3.13Å; V283-A286 PolarHBondContact O-N 3.48Å; V283-A286 VanDerWaalsContact O-N 3.13Å; V283-F287 HydrophobicContact CG1-CD2 3.99Å; V283-F287 HydrophobicContact CG1-CE2 3.82Å; V283-F287 WeakPolarHBondContact O-CD2 3.24Å; V283-F287 PolarHBondContact O-N 3.38Å; V283-Y307 HydrophobicContact CB-CD1 4.29Å; V283-Y307 HydrophobicContact CB-CE1 3.54Å; V283-Y307 HydrophobicContact CB-CE2 4.14Å; V283-Y307 VanDerWaalsContact CB-CZ 3.45Å; V283-Y307 WeakPolarHBondContact CB-OH 3.2Å; V283-Y307 HydrophobicContact CG1-CD1 3.72Å; V283-Y307 HydrophobicContact CG1-CD2 3.97Å; V283-Y307 HydrophobicContact CG1-CE1 3.46Å; V283-Y307 VanDerWaalsContact CG1-CE1 3.46Å; V283-Y307 HydrophobicContact CG1-CE2 3.71Å; V283-Y307 HydrophobicContact CG1-CG 3.97Å; V283-Y307 VanDerWaalsContact CG1-CZ 3.45Å; V283-Y307 HydrophobicContact CG2-CE1 4.38Å; V283-Y307 HydrophobicContact CG2-CE2 4.25Å; V283-Y307 WeakPolarHBondContact CG2-OH 3.38Å |
| 284 | V | 98.2 | Very high | 97 | Very high | 14 Ų | 14 | 26.6 Ų | 26.6 | 9% | 0.085 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -59.5 | -43.1 | 175.4 | 166.8 | 0 | 0 | 0 | 0 | 110.8 | T280 A286 F287 E288 Y307 M308 L327 Y330 | T280-V284 HydrophobicContact CG2-CG2 4.18Å; T280-V284 VanDerWaalsContact O-CB 3.31Å; T280-V284 WeakPolarHBondContact O-CB 3.22Å; T280-V284 VanDerWaalsContact O-CG2 3.26Å; T280-V284 WeakPolarHBondContact O-CG2 3.37Å; T280-V284 PolarHBondContact O-N 3.07Å; V284-A286 VanDerWaalsContact C-N 3.33Å; V284-A286 PolarHBondContact O-N 2.85Å; V284-F287 WeakPolarHBondContact O-CB 3.06Å; V284-F287 PolarHBondContact O-N 3.36Å; V284-E288 HydrophobicContact CG1-CG 4.46Å; V284-E288 WeakPolarHBondContact O-CG 3.49Å; V284-E288 PolarHBondContact O-N 3.35Å; V284-Y307 HydrophobicContact CG2-CD1 4.32Å; V284-Y307 HydrophobicContact CG2-CE1 4.19Å; V284-M308 HydrophobicContact CB-CE 4.35Å; V284-M308 HydrophobicContact CG1-CE 3.76Å; V284-M308 HydrophobicContact CG2-CE 3.89Å; V284-M308 HydrophobicContact CG2-CG 3.91Å; V284-L327 HydrophobicContact CG2-CD1 4.32Å; V284-Y330 HydrophobicContact CG1-CD1 4.29Å; V284-Y330 HydrophobicContact CG1-CE1 3.58Å |
| 285 | F | 98.3 | Very high | 96.9 | Very high | 14 Ų | 14 | 18.3 Ų | 18.3 | 6% | 0.061 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -61.8 | -39.9 | 175.7 | -174.4 | -97.4 | 0 | 0 | 0 | 112.1 | L103 K139 L142 D143 K281 R282 V283 F287 E288 Q289 | L103-F285 HydrophobicContact CB-CE2 4.46Å; L103-F285 HydrophobicContact CD1-CD2 4.29Å; L103-F285 HydrophobicContact CD1-CE2 4.35Å; K139-F285 VanDerWaalsContact O-CE2 3.27Å; K139-F285 WeakPolarHBondContact O-CE2 3.35Å; L142-F285 HydrophobicContact CB-CB 4.47Å; L142-F285 HydrophobicContact CB-CD1 3.8Å; L142-F285 HydrophobicContact CB-CD2 4.48Å; L142-F285 HydrophobicContact CB-CE1 4.17Å; L142-F285 HydrophobicContact CB-CG 3.99Å; L142-F285 HydrophobicContact CD1-CB 4.15Å; L142-F285 HydrophobicContact CD1-CG 4.47Å; D143-F285 HydrophobicContact CB-CE1 4.05Å; D143-F285 HydrophobicContact CB-CZ 3.83Å; K281-F285 WeakPolarHBondContact O-CB 3.41Å; K281-F285 PolarHBondContact O-N 2.95Å; R282-F285 PolarHBondContact O-N 3.45Å; V283-F285 VanDerWaalsContact C-N 3.3Å; V283-F285 PolarHBondContact O-N 3.42Å; F285-F287 PolarHBondContact O-N 3.44Å; F285-E288 PolarHBondContact O-N 3.02Å; F285-Q289 HydrophobicContact CD1-CG 4.02Å; F285-Q289 HydrophobicContact CE1-CG 3.56Å; F285-Q289 HydrophobicContact CE2-CG 4.49Å; F285-Q289 VanDerWaalsContact CE2-NE2 3.34Å; F285-Q289 HydrophobicContact CZ-CG 3.84Å; F285-Q289 WeakPolarHBondContact O-CG 3.44Å; F285-Q289 PolarHBondContact O-N 3.12Å |
| 286 | A | 98.4 | Very high | 96.7 | Very high | 0 Ų | 0 | 15.2 Ų | 15.2 | 0% | 0 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -60.9 | -41.8 | 175 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y262 I263 E266 R282 V283 V284 Q289 A290 | Y262-A286 HydrophobicContact CD1-CB 4.32Å; Y262-A286 HydrophobicContact CE1-CB 3.65Å; I263-A286 HydrophobicContact CG1-CB 4.14Å; E266-A286 HydrophobicContact CB-CB 4.36Å; E266-A286 HydrophobicContact CG-CB 4.36Å; R282-A286 PolarHBondContact O-N 2.65Å; V283-A286 WeakPolarHBondContact O-CB 3.13Å; V283-A286 PolarHBondContact O-N 3.48Å; V283-A286 VanDerWaalsContact O-N 3.13Å; V284-A286 VanDerWaalsContact C-N 3.33Å; V284-A286 PolarHBondContact O-N 2.85Å; A286-Q289 PolarHBondContact O-N 3.43Å; A286-A290 PolarHBondContact O-N 2.91Å; A286-A290 VanDerWaalsContact O-N 3.08Å |
| 287 | F | 98.4 | Very high | 96.6 | Very high | 1 Ų | 1 | 15 Ų | 15 | 0% | 0.004 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -61.9 | -47.9 | 171.9 | -82 | -67.7 | 0 | 0 | 0 | 112.1 | I263 M267 V283 V284 F285 Q289 A290 L291 E303 A304 Y307 | I263-F287 HydrophobicContact CD1-CD1 3.69Å; I263-F287 HydrophobicContact CD1-CE1 3.91Å; I263-F287 HydrophobicContact CD1-CG 4.36Å; I263-F287 HydrophobicContact CG1-CD1 4.38Å; I263-F287 HydrophobicContact CG2-CD1 4.23Å; I263-F287 HydrophobicContact CG2-CD2 4.27Å; I263-F287 HydrophobicContact CG2-CE1 3.74Å; I263-F287 HydrophobicContact CG2-CE2 3.78Å; I263-F287 HydrophobicContact CG2-CG 4.48Å; I263-F287 HydrophobicContact CG2-CZ 3.51Å; M267-F287 HydrophobicContact CE-CE2 3.36Å; M267-F287 HydrophobicContact CE-CZ 3.39Å; V283-F287 HydrophobicContact CG1-CD2 3.99Å; V283-F287 HydrophobicContact CG1-CE2 3.82Å; V283-F287 WeakPolarHBondContact O-CD2 3.24Å; V283-F287 PolarHBondContact O-N 3.38Å; V284-F287 WeakPolarHBondContact O-CB 3.06Å; V284-F287 PolarHBondContact O-N 3.36Å; F285-F287 PolarHBondContact O-N 3.44Å; F287-Q289 VanDerWaalsContact C-N 3.28Å; F287-Q289 PolarHBondContact O-N 3.49Å; F287-A290 WeakPolarHBondContact O-CB 3.25Å; F287-A290 PolarHBondContact O-N 3.46Å; F287-A290 VanDerWaalsContact O-N 3.08Å; F287-L291 VanDerWaalsContact O-CG 3.3Å; F287-L291 WeakPolarHBondContact O-CG 3.28Å; F287-L291 PolarHBondContact O-N 3.07Å; F287-E303 HydrophobicContact CE1-CB 3.96Å; F287-E303 HydrophobicContact CZ-CB 4.12Å; F287-A304 HydrophobicContact CB-CB 3.96Å; F287-A304 HydrophobicContact CD1-CB 3.64Å; F287-A304 HydrophobicContact CD2-CB 4.05Å; F287-A304 HydrophobicContact CE1-CB 4.04Å; F287-A304 HydrophobicContact CE2-CB 4.39Å; F287-A304 HydrophobicContact CG-CB 3.64Å; F287-A304 HydrophobicContact CZ-CB 4.38Å; F287-Y307 HydrophobicContact CE2-CD1 4.38Å; F287-Y307 HydrophobicContact CE2-CG 4.15Å |
| 288 | E | 97.3 | Very high | 96.4 | Very high | 2 Ų | 2 | 15.6 Ų | 15.6 | 1% | 0.009 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -55.9 | -43.1 | 177.7 | -74.5 | -65.7 | 139.5 | 0 | 0 | 111.9 | L103 V284 F285 A290 L291 L292 Y330 R337 | L103-E288 HydrophobicContact CD1-CB 3.89Å; L103-E288 HydrophobicContact CD1-CG 3.94Å; V284-E288 HydrophobicContact CG1-CG 4.46Å; V284-E288 WeakPolarHBondContact O-CG 3.49Å; V284-E288 PolarHBondContact O-N 3.35Å; F285-E288 PolarHBondContact O-N 3.02Å; E288-A290 PolarHBondContact O-N 2.95Å; E288-L291 PolarHBondContact O-N 3.34Å; E288-L292 WeakPolarHBondContact O-CG 3.28Å; E288-L292 PolarHBondContact O-N 3.3Å; E288-Y330 WeakPolarHBondContact CG-OH 3.34Å; E288-Y330 PolarHBondContact OE1-OH 3.46Å; E288-R337 IonicContact OE1-CZ 2.79Å; E288-R337 IonicContact OE1-NH1 3.89Å; E288-R337 IonicContact OE1-NH2 3.05Å; E288-R337 PolarHBondContact OE1-NH2 3.01Å; E288-R337 IonicContact OE2-CZ 3.46Å; E288-R337 IonicContact OE2-NH1 3.97Å; E288-R337 PolarHBondContact OE2-NH1 3.23Å; E288-R337 IonicContact OE2-NH2 3.6Å; E288-R337 PolarHBondContact OE2-NH2 3.29Å |
| 289 | Q | 97.7 | Very high | 96.3 | Very high | 13 Ų | 13 | 15.2 Ų | 15.2 | 6% | 0.061 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -63.7 | -41.2 | 176 | -66.4 | -49.3 | -54.1 | 0 | 0 | 112.5 | L103 W259 F285 A286 F287 L291 L292 | L103-Q289 PolarHBondContact O-NE2 3.4Å; L103-Q289 PolarHBondContact O-OE1 2.89Å; W259-Q289 HydrophobicContact CH2-CB 3.79Å; W259-Q289 HydrophobicContact CZ3-CB 3.78Å; F285-Q289 HydrophobicContact CD1-CG 4.02Å; F285-Q289 HydrophobicContact CE1-CG 3.56Å; F285-Q289 HydrophobicContact CE2-CG 4.49Å; F285-Q289 VanDerWaalsContact CE2-NE2 3.34Å; F285-Q289 HydrophobicContact CZ-CG 3.84Å; F285-Q289 WeakPolarHBondContact O-CG 3.44Å; F285-Q289 PolarHBondContact O-N 3.12Å; A286-Q289 PolarHBondContact O-N 3.43Å; F287-Q289 VanDerWaalsContact C-N 3.28Å; F287-Q289 PolarHBondContact O-N 3.49Å; Q289-L291 VanDerWaalsContact C-N 3.33Å; Q289-L291 PolarHBondContact O-N 2.87Å; Q289-L292 PolarHBondContact O-N 2.82Å |
| 290 | A | 97.6 | Very high | 96.2 | Very high | 0 Ų | 0 | 14.3 Ų | 14.3 | 0% | 0 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -63.2 | -40.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | W259 I263 A286 F287 E288 L292 C293 L294 L300 | W259-A290 HydrophobicContact CB-CB 4.29Å; W259-A290 HydrophobicContact CD2-CB 3.83Å; W259-A290 HydrophobicContact CE3-CB 3.58Å; W259-A290 HydrophobicContact CG-CB 4.17Å; W259-A290 HydrophobicContact CZ3-CB 4.17Å; I263-A290 HydrophobicContact CD1-CB 3.89Å; A286-A290 PolarHBondContact O-N 2.91Å; A286-A290 VanDerWaalsContact O-N 3.08Å; F287-A290 WeakPolarHBondContact O-CB 3.25Å; F287-A290 PolarHBondContact O-N 3.46Å; F287-A290 VanDerWaalsContact O-N 3.08Å; E288-A290 PolarHBondContact O-N 2.95Å; A290-L292 VanDerWaalsContact C-N 3.26Å; A290-L292 PolarHBondContact O-N 3.42Å; A290-C293 PolarHBondContact O-N 3.05Å; A290-L294 PolarHBondContact O-N 2.83Å; A290-L300 HydrophobicContact CB-CD1 4.38Å |
| 291 | L | 95.7 | Very high | 96.1 | Very high | 5 Ų | 5 | 14.6 Ų | 14.6 | 3% | 0.026 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -67.6 | -20.1 | -179.9 | -68.6 | 177.7 | 0 | 0 | 0 | 114 | N52 F287 E288 Q289 C293 G295 L300 W301 L334 | N52-L291 PolarHBondContact ND2-O 3.44Å; F287-L291 VanDerWaalsContact O-CG 3.3Å; F287-L291 WeakPolarHBondContact O-CG 3.28Å; F287-L291 PolarHBondContact O-N 3.07Å; E288-L291 PolarHBondContact O-N 3.34Å; Q289-L291 VanDerWaalsContact C-N 3.33Å; Q289-L291 PolarHBondContact O-N 2.87Å; L291-C293 VanDerWaalsContact C-N 3.3Å; L291-G295 VanDerWaalsContact O-CA 3.29Å; L291-G295 WeakPolarHBondContact O-CA 3.45Å; L291-G295 PolarHBondContact O-N 2.9Å; L291-L300 HydrophobicContact CD2-CB 3.99Å; L291-W301 HydrophobicContact CD1-CD2 4.09Å; L291-W301 HydrophobicContact CD1-CE3 3.97Å; L291-W301 HydrophobicContact CD1-CH2 4.25Å; L291-W301 HydrophobicContact CD1-CZ2 4.33Å; L291-W301 HydrophobicContact CD1-CZ3 4.08Å; L291-W301 HydrophobicContact CD2-CD2 3.79Å; L291-W301 HydrophobicContact CD2-CG 3.93Å; L291-W301 HydrophobicContact CD2-CZ2 4.09Å; L291-L334 HydrophobicContact CD1-CD1 3.96Å |
| 292 | L | 95.4 | Very high | 96 | Very high | 15 Ų | 15 | 14 Ų | 14 | 8% | 0.079 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -66.6 | -34.1 | 169.1 | -60.9 | -178.2 | 0 | 0 | 0 | 111.9 | N52 V102 N104 E288 Q289 A290 | N52-L292 HydrophobicContact CB-CD2 4.3Å; V102-L292 HydrophobicContact CG1-CD2 4.16Å; N104-L292 HydrophobicContact CB-CD1 4.21Å; E288-L292 WeakPolarHBondContact O-CG 3.28Å; E288-L292 PolarHBondContact O-N 3.3Å; Q289-L292 PolarHBondContact O-N 2.82Å; A290-L292 VanDerWaalsContact C-N 3.26Å; A290-L292 PolarHBondContact O-N 3.42Å |
| 293 | C | 95 | Very high | 96 | Very high | 7 Ų | 7 | 16.7 Ų | 16.7 | 5% | 0.047 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -97.5 | -36 | -175.6 | -60.5 | 0 | 0 | 0 | 0 | 113 | L241 S243 W259 A290 L291 | L241-C293 HydrophobicContact CB-CB 4.07Å; S243-C293 WeakPolarHBondContact CA-O 3.35Å; W259-C293 HydrophobicContact CZ2-CB 4.34Å; A290-C293 PolarHBondContact O-N 3.05Å; L291-C293 VanDerWaalsContact C-N 3.3Å |
| 294 | L | 94.6 | Very high | 96 | Very high | 8 Ų | 8 | 16.7 Ų | 16.7 | 4% | 0.042 | 8% | 0.08 | C | C | . | . | trans | -124.1 | 33.1 | -170.3 | -60.3 | 178.8 | 0 | 0 | 0 | 111.2 | H256 W259 A290 F296 H297 L300 | H256-L294 HydrophobicContact CB-CD1 4.3Å; W259-L294 HydrophobicContact CB-CD1 3.99Å; W259-L294 HydrophobicContact CG-CD1 3.94Å; A290-L294 PolarHBondContact O-N 2.83Å; L294-F296 PolarHBondContact O-N 3.29Å; L294-F296 VanDerWaalsContact O-N 3.11Å; L294-H297 HydrophobicContact CB-CB 4.35Å; L294-H297 WeakPolarHBondContact O-CB 3.41Å; L294-H297 PolarHBondContact O-N 3.34Å; L294-L300 HydrophobicContact CB-CD1 3.56Å; L294-L300 HydrophobicContact CD1-CD1 3.82Å; L294-L300 HydrophobicContact CG-CD1 4.35Å | ||
| 295 | G | 92.9 | Very high | 95.9 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 8% | 0.076 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59 | -22.7 | -180 | 0 | 0 | 0 | 0 | 0 | 114.1 | S243 L291 H297 W301 V342 W343 | S243-G295 WeakPolarHBondContact OG-CA 3.39Å; S243-G295 PolarHBondContact OG-N 3.04Å; L291-G295 VanDerWaalsContact O-CA 3.29Å; L291-G295 WeakPolarHBondContact O-CA 3.45Å; L291-G295 PolarHBondContact O-N 2.9Å; G295-H297 VanDerWaalsContact C-N 3.29Å; G295-H297 PolarHBondContact O-N 3.24Å; G295-W301 PolarHBondContact O-NE1 2.94Å; G295-V342 WeakPolarHBondContact O-CG1 3.46Å; G295-W343 PolarHBondContact O-NE1 3.47Å; G295-W343 VanDerWaalsContact O-NE1 3.09Å |
| 296 | F | 92 | Very high | 95.9 | Very high | 17 Ų | 17 | 18.9 Ų | 18.9 | 8% | 0.075 | 9% | 0.092 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.5 | 22.1 | 171 | -63.1 | -93.2 | 0 | 0 | 0 | 114.1 | F19 S243 V244 P245 P246 L294 V342 W343 | F19-F296 HydrophobicContact CD1-CE2 4.44Å; F19-F296 HydrophobicContact CD1-CZ 4.28Å; F19-F296 HydrophobicContact CE1-CE1 4.01Å; F19-F296 AromaticContact CE1-CE2 3.91Å; F19-F296 HydrophobicContact CE1-CE2 3.91Å; F19-F296 AromaticContact CE1-CZ 3.35Å; F19-F296 HydrophobicContact CE1-CZ 3.35Å; F19-F296 HydrophobicContact CZ-CE1 4.03Å; F19-F296 AromaticContact CZ-CZ 3.82Å; F19-F296 HydrophobicContact CZ-CZ 3.82Å; S243-F296 VanDerWaalsContact C-CD2 3.47Å; S243-F296 VanDerWaalsContact O-CE2 3.28Å; S243-F296 WeakPolarHBondContact O-CE2 3.31Å; S243-F296 WeakPolarHBondContact OG-CD2 3.47Å; S243-F296 PolarHBondContact OG-N 2.97Å; S243-F296 VanDerWaalsContact OG-N 3.16Å; V244-F296 VanDerWaalsContact N-CD2 3.34Å; V244-F296 VanDerWaalsContact O-CB 3.32Å; V244-F296 WeakPolarHBondContact O-CB 3.48Å; V244-F296 WeakPolarHBondContact O-CD2 3.32Å; P245-F296 HydrophobicContact CB-CD1 4.38Å; P245-F296 HydrophobicContact CG-CD1 3.86Å; P245-F296 HydrophobicContact CG-CE1 3.96Å; P245-F296 HydrophobicContact CG-CG 4.23Å; P245-F296 HydrophobicContact CG-CZ 4.42Å; P246-F296 VanDerWaalsContact CD-O 3.31Å; P246-F296 WeakPolarHBondContact CD-O 3.43Å; P246-F296 WeakPolarHBondContact CG-O 3.38Å; L294-F296 PolarHBondContact O-N 3.29Å; L294-F296 VanDerWaalsContact O-N 3.11Å; F296-V342 HydrophobicContact CB-CG1 4.3Å; F296-V342 HydrophobicContact CD1-CG1 3.28Å; F296-V342 HydrophobicContact CD2-CG1 3.78Å; F296-V342 HydrophobicContact CE1-CG1 3.32Å; F296-V342 WeakPolarHBondContact CE1-O 3.47Å; F296-V342 HydrophobicContact CE2-CG1 3.8Å; F296-V342 HydrophobicContact CG-CG1 3.5Å; F296-V342 HydrophobicContact CZ-CG1 3.55Å; F296-W343 HydrophobicContact CB-CZ2 4.35Å; F296-W343 VanDerWaalsContact O-CH2 3.3Å; F296-W343 WeakPolarHBondContact O-CH2 3.49Å; F296-W343 WeakPolarHBondContact O-CZ2 3.31Å |
| 297 | H | 92.6 | Very high | 95.9 | Very high | 19 Ų | 19 | 20 Ų | 20 | 9% | 0.088 | 10% | 0.096 | C | C | . | . | trans | -109.9 | 103.7 | 170.9 | -68.8 | -102 | 0 | 0 | 0 | 109.6 | E252 H256 L294 G295 D299 L300 | E252-H297 IonicContact OE1-CE1 3.93Å; E252-H297 PolarHBondContact OE1-CE1 2.98Å; E252-H297 VanDerWaalsContact OE1-CE1 3.31Å; E252-H297 IonicContact OE1-NE2 3.85Å; E252-H297 PolarHBondContact OE1-NE2 3.49Å; H256-H297 AromaticContact CD2-CG 4Å; H256-H297 AromaticContact CD2-ND1 3.44Å; H256-H297 PolarHBondContact CD2-ND1 3.35Å; L294-H297 HydrophobicContact CB-CB 4.35Å; L294-H297 WeakPolarHBondContact O-CB 3.41Å; L294-H297 PolarHBondContact O-N 3.34Å; G295-H297 VanDerWaalsContact C-N 3.29Å; G295-H297 PolarHBondContact O-N 3.24Å; H297-D299 VanDerWaalsContact C-N 3.26Å; H297-D299 WeakPolarHBondContact CB-OD1 3.31Å; H297-D299 PolarHBondContact O-N 3.43Å; H297-L300 HydrophobicContact CB-CD1 4.06Å; H297-L300 HydrophobicContact CB-CG 4.2Å; H297-L300 PolarHBondContact O-N 3.27Å | ||
| 298 | S | 92.5 | Very high | 95.9 | Very high | 24 Ų | 24 | 19.9 Ų | 19.9 | 17% | 0.168 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -70.9 | -24.4 | -169.6 | 53.6 | 0 | 0 | 0 | 0 | 113 | L300 W301 Y302 W343 N346 | S298-L300 VanDerWaalsContact C-N 3.29Å; S298-L300 PolarHBondContact O-N 3.44Å; S298-W301 PolarHBondContact O-N 3.22Å; S298-Y302 PolarHBondContact O-N 3.27Å; S298-Y302 VanDerWaalsContact O-N 3.1Å; S298-W343 VanDerWaalsContact N-CZ2 3.3Å; S298-N346 WeakPolarHBondContact CB-ND2 3.43Å |
| 299 | D | 94.3 | Very high | 95.9 | Very high | 44 Ų | 44 | 21.6 Ų | 21.6 | 24% | 0.235 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -59.7 | -40.3 | 172.6 | 63 | -50 | 0 | 0 | 0 | 111.3 | H256 K260 H297 W301 Y302 E303 | H256-D299 IonicContact CE1-OD2 3.11Å; H256-D299 PolarHBondContact CE1-OD2 2.86Å; H256-D299 IonicContact NE2-OD1 2.66Å; H256-D299 IonicContact NE2-OD2 3.63Å; H256-D299 PolarHBondContact NE2-OD2 3.07Å; K260-D299 IonicContact NZ-OD2 3.69Å; K260-D299 PolarHBondContact NZ-OD2 2.94Å; H297-D299 VanDerWaalsContact C-N 3.26Å; H297-D299 WeakPolarHBondContact CB-OD1 3.31Å; H297-D299 PolarHBondContact O-N 3.43Å; D299-W301 PolarHBondContact O-N 3.15Å; D299-Y302 PolarHBondContact O-N 3.22Å; D299-E303 VanDerWaalsContact O-CB 3.31Å; D299-E303 WeakPolarHBondContact O-CB 3.39Å; D299-E303 VanDerWaalsContact O-CG 3.27Å; D299-E303 WeakPolarHBondContact O-CG 3.4Å; D299-E303 PolarHBondContact O-N 2.9Å |
| 300 | L | 95.7 | Very high | 95.9 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -66.6 | -38.3 | 179.6 | -65.2 | 179.3 | 0 | 0 | 0 | 113 | K260 I263 A290 L291 L294 H297 S298 A304 | K260-L300 HydrophobicContact CD-CD2 4.32Å; K260-L300 HydrophobicContact CG-CD2 3.95Å; I263-L300 HydrophobicContact CD1-CD2 4.41Å; A290-L300 HydrophobicContact CB-CD1 4.38Å; L291-L300 HydrophobicContact CD2-CB 3.99Å; L294-L300 HydrophobicContact CB-CD1 3.56Å; L294-L300 HydrophobicContact CD1-CD1 3.82Å; L294-L300 HydrophobicContact CG-CD1 4.35Å; H297-L300 HydrophobicContact CB-CD1 4.06Å; H297-L300 HydrophobicContact CB-CG 4.2Å; H297-L300 PolarHBondContact O-N 3.27Å; S298-L300 VanDerWaalsContact C-N 3.29Å; S298-L300 PolarHBondContact O-N 3.44Å; L300-A304 WeakPolarHBondContact O-CB 3.32Å; L300-A304 PolarHBondContact O-N 3.26Å |
| 301 | W | 95.8 | Very high | 95.9 | Very high | 6 Ų | 6 | 23.9 Ų | 23.9 | 2% | 0.023 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -65.4 | -44.2 | 174.9 | -69.3 | 91.1 | 0 | 0 | 0 | 111.4 | L291 G295 S298 D299 S305 L334 R337 A338 V342 L349 | L291-W301 HydrophobicContact CD1-CD2 4.09Å; L291-W301 HydrophobicContact CD1-CE3 3.97Å; L291-W301 HydrophobicContact CD1-CH2 4.25Å; L291-W301 HydrophobicContact CD1-CZ2 4.33Å; L291-W301 HydrophobicContact CD1-CZ3 4.08Å; L291-W301 HydrophobicContact CD2-CD2 3.79Å; L291-W301 HydrophobicContact CD2-CG 3.93Å; L291-W301 HydrophobicContact CD2-CZ2 4.09Å; G295-W301 PolarHBondContact O-NE1 2.94Å; S298-W301 PolarHBondContact O-N 3.22Å; D299-W301 PolarHBondContact O-N 3.15Å; W301-S305 WeakPolarHBondContact O-CB 3.44Å; W301-S305 PolarHBondContact O-N 3.02Å; W301-L334 HydrophobicContact CE3-CD1 3.62Å; W301-L334 HydrophobicContact CE3-CG 3.93Å; W301-L334 HydrophobicContact CZ3-CD1 3.52Å; W301-L334 HydrophobicContact CZ3-CG 4.13Å; W301-L334 WeakPolarHBondContact CZ3-O 3.33Å; W301-R337 HydrophobicContact CH2-CB 4.4Å; W301-R337 HydrophobicContact CH2-CG 4.03Å; W301-R337 HydrophobicContact CZ3-CB 4.24Å; W301-R337 HydrophobicContact CZ3-CG 4.35Å; W301-A338 HydrophobicContact CD2-CB 3.68Å; W301-A338 HydrophobicContact CE3-CB 3.35Å; W301-A338 HydrophobicContact CG-CB 4.22Å; W301-A338 HydrophobicContact CH2-CB 4.36Å; W301-A338 HydrophobicContact CZ3-CB 3.7Å; W301-V342 HydrophobicContact CZ2-CG2 4.01Å; W301-L349 HydrophobicContact CB-CD1 4.15Å; W301-L349 HydrophobicContact CB-CD2 3.77Å; W301-L349 HydrophobicContact CG-CD1 4.25Å |
| 302 | Y | 96.6 | Very high | 96 | Very high | 96 Ų | 96 | 24.2 Ų | 24.2 | 38% | 0.376 | 12% | 0.119 | S | C | . | . | H | α-helix | trans | -65.4 | -48.4 | 178.2 | -177.4 | -118.2 | 0 | 0 | 0 | 111.5 | S298 D299 A304 S305 L306 A352 | S298-Y302 PolarHBondContact O-N 3.27Å; S298-Y302 VanDerWaalsContact O-N 3.1Å; D299-Y302 PolarHBondContact O-N 3.22Å; Y302-A304 VanDerWaalsContact C-N 3.34Å; Y302-A304 PolarHBondContact O-N 2.75Å; Y302-S305 PolarHBondContact O-N 2.97Å; Y302-S305 VanDerWaalsContact O-N 3.14Å; Y302-S305 PolarHBondContact O-OG 3.17Å; Y302-L306 HydrophobicContact CD1-CD1 3.88Å; Y302-L306 HydrophobicContact CD1-CG 4.46Å; Y302-L306 HydrophobicContact CD2-CG 4.43Å; Y302-L306 HydrophobicContact CE1-CD1 3.38Å; Y302-L306 HydrophobicContact CE1-CG 4.11Å; Y302-L306 HydrophobicContact CE2-CD1 4.23Å; Y302-L306 HydrophobicContact CE2-CD2 4.2Å; Y302-L306 HydrophobicContact CE2-CG 4.05Å; Y302-L306 HydrophobicContact CG-CD1 4.5Å; Y302-L306 WeakPolarHBondContact O-CG 3.39Å; Y302-L306 PolarHBondContact O-N 3.15Å; Y302-A352 HydrophobicContact CD2-CB 3.7Å; Y302-A352 HydrophobicContact CE2-CB 3.81Å |
| 303 | E | 98 | Very high | 96.1 | Very high | 65 Ų | 65 | 30.4 Ų | 30.4 | 30% | 0.304 | 14% | 0.141 | S | C | . | . | H | α-helix | trans | -58.8 | -41.7 | 175.7 | -74.7 | 174.9 | -167.2 | 0 | 0 | 112.6 | K260 F287 D299 L306 Y307 | K260-E303 WeakPolarHBondContact CE-OE1 3.09Å; K260-E303 WeakPolarHBondContact CE-OE2 3.35Å; K260-E303 IonicContact NZ-OE1 2.81Å; K260-E303 PolarHBondContact NZ-OE1 3.16Å; K260-E303 IonicContact NZ-OE2 3.79Å; K260-E303 PolarHBondContact NZ-OE2 3.09Å; F287-E303 HydrophobicContact CE1-CB 3.96Å; F287-E303 HydrophobicContact CZ-CB 4.12Å; D299-E303 VanDerWaalsContact O-CB 3.31Å; D299-E303 WeakPolarHBondContact O-CB 3.39Å; D299-E303 VanDerWaalsContact O-CG 3.27Å; D299-E303 WeakPolarHBondContact O-CG 3.4Å; D299-E303 PolarHBondContact O-N 2.9Å; E303-L306 PolarHBondContact O-N 3.31Å; E303-Y307 WeakPolarHBondContact O-CB 3.35Å; E303-Y307 PolarHBondContact O-N 2.95Å |
| 304 | A | 98.1 | Very high | 96.2 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -60.4 | -47.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | F287 L300 Y302 L306 Y307 M308 L334 | F287-A304 HydrophobicContact CB-CB 3.96Å; F287-A304 HydrophobicContact CD1-CB 3.64Å; F287-A304 HydrophobicContact CD2-CB 4.05Å; F287-A304 HydrophobicContact CE1-CB 4.04Å; F287-A304 HydrophobicContact CE2-CB 4.39Å; F287-A304 HydrophobicContact CG-CB 3.64Å; F287-A304 HydrophobicContact CZ-CB 4.38Å; L300-A304 WeakPolarHBondContact O-CB 3.32Å; L300-A304 PolarHBondContact O-N 3.26Å; Y302-A304 VanDerWaalsContact C-N 3.34Å; Y302-A304 PolarHBondContact O-N 2.75Å; A304-L306 PolarHBondContact O-N 3.37Å; A304-Y307 PolarHBondContact O-N 3.12Å; A304-M308 HydrophobicContact CB-CE 4.42Å; A304-M308 VanDerWaalsContact O-CG 3.25Å; A304-M308 WeakPolarHBondContact O-CG 3.27Å; A304-M308 PolarHBondContact O-N 2.85Å; A304-L334 HydrophobicContact CB-CD2 3.87Å |
| 305 | S | 97.4 | Very high | 96.3 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -62.8 | -41.3 | 178.6 | 75.5 | 0 | 0 | 0 | 0 | 112.6 | W301 Y302 M308 Q309 F335 | W301-S305 WeakPolarHBondContact O-CB 3.44Å; W301-S305 PolarHBondContact O-N 3.02Å; Y302-S305 PolarHBondContact O-N 2.97Å; Y302-S305 VanDerWaalsContact O-N 3.14Å; Y302-S305 PolarHBondContact O-OG 3.17Å; S305-M308 PolarHBondContact O-N 3.29Å; S305-Q309 VanDerWaalsContact O-CG 3.25Å; S305-Q309 WeakPolarHBondContact O-CG 3.33Å; S305-Q309 PolarHBondContact O-N 3.25Å; S305-Q309 PolarHBondContact O-NE2 2.92Å; S305-Q309 VanDerWaalsContact O-NE2 3.08Å; S305-F335 VanDerWaalsContact OG-CZ 3.25Å; S305-F335 WeakPolarHBondContact OG-CZ 3.11Å |
| 306 | L | 97.9 | Very high | 96.5 | Very high | 74 Ų | 74 | 37.4 Ų | 37.4 | 39% | 0.387 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -63.3 | -45.1 | 175.8 | -76.1 | 179.3 | 0 | 0 | 0 | 111.8 | Y302 E303 A304 M308 Q309 D310 | Y302-L306 HydrophobicContact CD1-CD1 3.88Å; Y302-L306 HydrophobicContact CD1-CG 4.46Å; Y302-L306 HydrophobicContact CD2-CG 4.43Å; Y302-L306 HydrophobicContact CE1-CD1 3.38Å; Y302-L306 HydrophobicContact CE1-CG 4.11Å; Y302-L306 HydrophobicContact CE2-CD1 4.23Å; Y302-L306 HydrophobicContact CE2-CD2 4.2Å; Y302-L306 HydrophobicContact CE2-CG 4.05Å; Y302-L306 HydrophobicContact CG-CD1 4.5Å; Y302-L306 WeakPolarHBondContact O-CG 3.39Å; Y302-L306 PolarHBondContact O-N 3.15Å; E303-L306 PolarHBondContact O-N 3.31Å; A304-L306 PolarHBondContact O-N 3.37Å; L306-M308 VanDerWaalsContact C-N 3.33Å; L306-M308 PolarHBondContact O-N 3.41Å; L306-Q309 PolarHBondContact O-N 2.88Å; L306-D310 PolarHBondContact O-N 3.26Å |
| 307 | Y | 98.5 | Very high | 96.7 | Very high | 23 Ų | 23 | 43.4 Ų | 43.4 | 9% | 0.09 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -59.6 | -44.2 | 175.8 | 175.5 | -94.5 | 0 | 0 | 0 | 111.8 | M267 T280 V283 V284 F287 E303 A304 Q309 D310 A311 | M267-Y307 HydrophobicContact CE-CD2 3.75Å; M267-Y307 HydrophobicContact CE-CE2 4.48Å; M267-Y307 HydrophobicContact CE-CG 4.05Å; M267-Y307 HydrophobicContact CG-CD2 4.37Å; M267-Y307 HydrophobicContact CG-CE2 4.24Å; M267-Y307 HydrophobicContact SD-CD2 4.48Å; T280-Y307 WeakPolarHBondContact CA-OH 3.44Å; T280-Y307 HydrophobicContact CG2-CE1 4.27Å; V283-Y307 HydrophobicContact CB-CD1 4.29Å; V283-Y307 HydrophobicContact CB-CE1 3.54Å; V283-Y307 HydrophobicContact CB-CE2 4.14Å; V283-Y307 VanDerWaalsContact CB-CZ 3.45Å; V283-Y307 WeakPolarHBondContact CB-OH 3.2Å; V283-Y307 HydrophobicContact CG1-CD1 3.72Å; V283-Y307 HydrophobicContact CG1-CD2 3.97Å; V283-Y307 HydrophobicContact CG1-CE1 3.46Å; V283-Y307 VanDerWaalsContact CG1-CE1 3.46Å; V283-Y307 HydrophobicContact CG1-CE2 3.71Å; V283-Y307 HydrophobicContact CG1-CG 3.97Å; V283-Y307 VanDerWaalsContact CG1-CZ 3.45Å; V283-Y307 HydrophobicContact CG2-CE1 4.38Å; V283-Y307 HydrophobicContact CG2-CE2 4.25Å; V283-Y307 WeakPolarHBondContact CG2-OH 3.38Å; V284-Y307 HydrophobicContact CG2-CD1 4.32Å; V284-Y307 HydrophobicContact CG2-CE1 4.19Å; F287-Y307 HydrophobicContact CE2-CD1 4.38Å; F287-Y307 HydrophobicContact CE2-CG 4.15Å; E303-Y307 WeakPolarHBondContact O-CB 3.35Å; E303-Y307 PolarHBondContact O-N 2.95Å; A304-Y307 PolarHBondContact O-N 3.12Å; Y307-Q309 VanDerWaalsContact C-N 3.34Å; Y307-Q309 PolarHBondContact O-N 2.9Å; Y307-D310 PolarHBondContact O-N 3.26Å; Y307-A311 HydrophobicContact CE1-CB 4.11Å; Y307-A311 WeakPolarHBondContact O-CB 3.32Å; Y307-A311 PolarHBondContact O-N 3.35Å |
| 308 | M | 98.2 | Very high | 96.8 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -65.2 | -36.8 | -179.8 | -67.7 | 174.8 | -168.4 | 0 | 0 | 112.5 | V284 A304 S305 L306 S312 L327 Y330 T331 L334 | V284-M308 HydrophobicContact CB-CE 4.35Å; V284-M308 HydrophobicContact CG1-CE 3.76Å; V284-M308 HydrophobicContact CG2-CE 3.89Å; V284-M308 HydrophobicContact CG2-CG 3.91Å; A304-M308 HydrophobicContact CB-CE 4.42Å; A304-M308 VanDerWaalsContact O-CG 3.25Å; A304-M308 WeakPolarHBondContact O-CG 3.27Å; A304-M308 PolarHBondContact O-N 2.85Å; S305-M308 PolarHBondContact O-N 3.29Å; L306-M308 VanDerWaalsContact C-N 3.33Å; L306-M308 PolarHBondContact O-N 3.41Å; M308-S312 VanDerWaalsContact O-CB 3.27Å; M308-S312 WeakPolarHBondContact O-CB 3.24Å; M308-S312 PolarHBondContact O-N 3.46Å; M308-L327 HydrophobicContact CB-CD1 4.09Å; M308-L327 HydrophobicContact CB-CD2 4.47Å; M308-L327 HydrophobicContact CB-CG 4.1Å; M308-L327 HydrophobicContact CG-CD1 3.95Å; M308-L327 WeakPolarHBondContact O-CD2 3.36Å; M308-Y330 HydrophobicContact CE-CD1 3.79Å; M308-Y330 HydrophobicContact CE-CE1 3.63Å; M308-Y330 HydrophobicContact SD-CD1 3.75Å; M308-Y330 HydrophobicContact SD-CE1 4.22Å; M308-T331 HydrophobicContact CB-CG2 4.48Å; M308-T331 WeakPolarHBondContact CB-OG1 3.33Å; M308-L334 HydrophobicContact CE-CD2 3.83Å; M308-L334 HydrophobicContact SD-CD2 3.92Å |
| 309 | Q | 97.5 | Very high | 96.9 | Very high | 38 Ų | 38 | 50 Ų | 50 | 18% | 0.178 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -64.7 | -47.8 | 174.7 | -71.3 | 172 | 74.3 | 0 | 0 | 111.7 | S305 L306 Y307 S312 R313 T331 Y356 | S305-Q309 VanDerWaalsContact O-CG 3.25Å; S305-Q309 WeakPolarHBondContact O-CG 3.33Å; S305-Q309 PolarHBondContact O-N 3.25Å; S305-Q309 PolarHBondContact O-NE2 2.92Å; S305-Q309 VanDerWaalsContact O-NE2 3.08Å; L306-Q309 PolarHBondContact O-N 2.88Å; Y307-Q309 VanDerWaalsContact C-N 3.34Å; Y307-Q309 PolarHBondContact O-N 2.9Å; Q309-S312 WeakPolarHBondContact O-CB 3.38Å; Q309-S312 PolarHBondContact O-N 2.89Å; Q309-R313 PolarHBondContact O-N 3.2Å; Q309-R313 VanDerWaalsContact O-N 3.09Å; Q309-T331 HydrophobicContact CG-CG2 4.29Å; Q309-Y356 VanDerWaalsContact CD-CD2 3.45Å; Q309-Y356 HydrophobicContact CG-CD2 3.94Å; Q309-Y356 HydrophobicContact CG-CE2 3.55Å |
| 310 | D | 97.7 | Very high | 97 | Very high | 60 Ų | 60 | 50.7 Ų | 50.7 | 32% | 0.321 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -64.5 | -41.6 | 176.9 | -178.8 | 53.4 | 0 | 0 | 0 | 112 | L306 Y307 S312 R313 R314 | L306-D310 PolarHBondContact O-N 3.26Å; Y307-D310 PolarHBondContact O-N 3.26Å; D310-S312 VanDerWaalsContact C-N 3.35Å; D310-S312 PolarHBondContact O-N 2.93Å; D310-R313 PolarHBondContact O-N 2.84Å; D310-R314 PolarHBondContact O-N 2.98Å; D310-R314 IonicContact OD2-CZ 3.57Å; D310-R314 IonicContact OD2-NE 3.56Å; D310-R314 IonicContact OD2-NH1 2.85Å; D310-R314 PolarHBondContact OD2-NH1 3.24Å; D310-R314 IonicContact OD2-NH2 3.36Å; D310-R314 PolarHBondContact OD2-NH2 3.19Å |
| 311 | A | 97.9 | Very high | 97 | Very high | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -63.7 | -37.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | T280 Y307 R313 R314 L315 L327 | T280-A311 HydrophobicContact CG2-CB 3.81Å; Y307-A311 HydrophobicContact CE1-CB 4.11Å; Y307-A311 WeakPolarHBondContact O-CB 3.32Å; Y307-A311 PolarHBondContact O-N 3.35Å; A311-R313 VanDerWaalsContact C-N 3.33Å; A311-R313 PolarHBondContact O-N 3.41Å; A311-R314 PolarHBondContact O-N 3.1Å; A311-L315 WeakPolarHBondContact O-CB 3.31Å; A311-L315 WeakPolarHBondContact O-CD1 3.41Å; A311-L315 VanDerWaalsContact O-CG 3.25Å; A311-L315 WeakPolarHBondContact O-CG 3.48Å; A311-L315 PolarHBondContact O-N 3Å; A311-L327 HydrophobicContact CB-CD2 3.75Å |
| 312 | S | 97.9 | Very high | 97.1 | Very high | 12 Ų | 12 | 62.7 Ų | 62.7 | 8% | 0.084 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -62.4 | -40.4 | 175.1 | 168.2 | 0 | 0 | 0 | 0 | 111.5 | M308 Q309 D310 L315 L316 S324 V328 | M308-S312 VanDerWaalsContact O-CB 3.27Å; M308-S312 WeakPolarHBondContact O-CB 3.24Å; M308-S312 PolarHBondContact O-N 3.46Å; Q309-S312 WeakPolarHBondContact O-CB 3.38Å; Q309-S312 PolarHBondContact O-N 2.89Å; D310-S312 VanDerWaalsContact C-N 3.35Å; D310-S312 PolarHBondContact O-N 2.93Å; S312-L315 PolarHBondContact O-N 3.24Å; S312-L316 WeakPolarHBondContact O-CG 3.41Å; S312-L316 PolarHBondContact O-N 2.86Å; S312-L316 VanDerWaalsContact O-N 3.13Å; S312-S324 PolarHBondContact O-OG 2.88Å; S312-S324 PolarHBondContact OG-OG 2.99Å; S312-V328 VanDerWaalsContact OG-CG2 3.28Å; S312-V328 WeakPolarHBondContact OG-CG2 3.28Å |
| 313 | R | 97.2 | Very high | 97.1 | Very high | 145 Ų | 145 | 59.6 Ų | 59.6 | 55% | 0.547 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -62.8 | -50.1 | 173.8 | -169.2 | -176.1 | -59.6 | 138.5 | 1.9 | 111.8 | Q309 D310 A311 L315 L316 E317 | Q309-R313 PolarHBondContact O-N 3.2Å; Q309-R313 VanDerWaalsContact O-N 3.09Å; D310-R313 PolarHBondContact O-N 2.84Å; A311-R313 VanDerWaalsContact C-N 3.33Å; A311-R313 PolarHBondContact O-N 3.41Å; R313-L315 PolarHBondContact O-N 3.02Å; R313-L316 WeakPolarHBondContact O-CB 3.43Å; R313-L316 PolarHBondContact O-N 3.09Å; R313-E317 WeakPolarHBondContact O-CG 3.3Å; R313-E317 PolarHBondContact O-N 2.99Å |
| 314 | R | 97 | Very high | 97.1 | Very high | 75 Ų | 75 | 56.6 Ų | 56.6 | 28% | 0.283 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -57.9 | -35.3 | 176.5 | -72.1 | -173.6 | -70.6 | -117.8 | -13.4 | 113.3 | Q276 D310 A311 K318 | Q276-R314 HydrophobicContact CG-CB 4.37Å; D310-R314 PolarHBondContact O-N 2.98Å; D310-R314 IonicContact OD2-CZ 3.57Å; D310-R314 IonicContact OD2-NE 3.56Å; D310-R314 IonicContact OD2-NH1 2.85Å; D310-R314 PolarHBondContact OD2-NH1 3.24Å; D310-R314 IonicContact OD2-NH2 3.36Å; D310-R314 PolarHBondContact OD2-NH2 3.19Å; A311-R314 PolarHBondContact O-N 3.1Å; R314-K318 PolarHBondContact O-N 3.01Å |
| 315 | L | 97.1 | Very high | 97 | Very high | 2 Ų | 2 | 60.8 Ų | 60.8 | 1% | 0.01 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -69.1 | -38.5 | 176.7 | -74.2 | 163.3 | 0 | 0 | 0 | 112 | Q276 A277 A311 S312 R313 K318 G319 D320 F323 L327 | Q276-L315 HydrophobicContact CB-CD2 3.94Å; Q276-L315 HydrophobicContact CG-CD2 3.75Å; Q276-L315 HydrophobicContact CG-CG 4.07Å; A277-L315 HydrophobicContact CB-CD2 4.43Å; A311-L315 WeakPolarHBondContact O-CB 3.31Å; A311-L315 WeakPolarHBondContact O-CD1 3.41Å; A311-L315 VanDerWaalsContact O-CG 3.25Å; A311-L315 WeakPolarHBondContact O-CG 3.48Å; A311-L315 PolarHBondContact O-N 3Å; S312-L315 PolarHBondContact O-N 3.24Å; R313-L315 PolarHBondContact O-N 3.02Å; L315-K318 PolarHBondContact O-N 3.27Å; L315-G319 PolarHBondContact O-N 3.06Å; L315-D320 HydrophobicContact CD2-CB 4.16Å; L315-D320 PolarHBondContact O-N 3.47Å; L315-F323 HydrophobicContact CD1-CD1 3.37Å; L315-F323 HydrophobicContact CD1-CE1 3.86Å; L315-F323 HydrophobicContact CD1-CG 4.29Å; L315-F323 HydrophobicContact CD2-CD1 3.79Å; L315-F323 HydrophobicContact CG-CD1 4.22Å; L315-L327 HydrophobicContact CD1-CD2 4.01Å |
| 316 | L | 96.4 | Very high | 97 | Very high | 85 Ų | 85 | 65.8 Ų | 65.8 | 45% | 0.445 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -64.7 | -42.9 | 174.2 | -70.6 | 167.2 | 0 | 0 | 0 | 111.7 | S312 R313 K318 G319 T321 S324 | S312-L316 WeakPolarHBondContact O-CG 3.41Å; S312-L316 PolarHBondContact O-N 2.86Å; S312-L316 VanDerWaalsContact O-N 3.13Å; R313-L316 WeakPolarHBondContact O-CB 3.43Å; R313-L316 PolarHBondContact O-N 3.09Å; L316-K318 PolarHBondContact O-N 3.19Å; L316-G319 PolarHBondContact O-N 3.07Å; L316-T321 HydrophobicContact CD2-CG2 4.2Å; L316-S324 WeakPolarHBondContact CG-OG 3.46Å |
| 317 | E | 96 | Very high | 96.9 | Very high | 143 Ų | 143 | 62.5 Ų | 62.5 | 67% | 0.668 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -59.9 | -33.7 | 176.6 | -70 | 166.7 | -176 | 0 | 0 | 112.2 | R313 G319 | R313-E317 WeakPolarHBondContact O-CG 3.3Å; R313-E317 PolarHBondContact O-N 2.99Å; E317-G319 VanDerWaalsContact C-N 3.33Å |
| 318 | K | 94.7 | Very high | 96.9 | Very high | 126 Ų | 126 | 62.7 Ų | 62.7 | 55% | 0.548 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | -1.4 | 173.9 | -72.3 | -173.7 | 171.4 | -175.6 | 0 | 114.3 | E274 Q276 R314 L315 L316 | E274-K318 PolarHBondContact O-NZ 3.31Å; Q276-K318 HydrophobicContact CB-CD 3.81Å; Q276-K318 HydrophobicContact CG-CD 4.37Å; R314-K318 PolarHBondContact O-N 3.01Å; L315-K318 PolarHBondContact O-N 3.27Å; L316-K318 PolarHBondContact O-N 3.19Å |
| 319 | G | 95.1 | Very high | 96.8 | Very high | 56 Ų | 56 | 67.2 Ų | 67.2 | 58% | 0.577 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.9 | 5.9 | 180 | 0 | 0 | 0 | 0 | 0 | 116 | L315 L316 E317 T321 | L315-G319 PolarHBondContact O-N 3.06Å; L316-G319 PolarHBondContact O-N 3.07Å; E317-G319 VanDerWaalsContact C-N 3.33Å; G319-T321 VanDerWaalsContact C-N 3.29Å; G319-T321 PolarHBondContact O-N 3.07Å |
| 320 | D | 96.2 | Very high | 96.8 | Very high | 58 Ų | 58 | 68.5 Ų | 68.5 | 31% | 0.31 | 34% | 0.338 | S | S | . | . | trans | -85.9 | 68.9 | 175.7 | -167.8 | -9.7 | 0 | 0 | 0 | 111.6 | L315 K322 F323 S324 | L315-D320 HydrophobicContact CD2-CB 4.16Å; L315-D320 PolarHBondContact O-N 3.47Å; D320-K322 VanDerWaalsContact C-N 3.26Å; D320-K322 PolarHBondContact O-N 2.71Å; D320-F323 VanDerWaalsContact CG-CB 3.41Å; D320-F323 VanDerWaalsContact OD1-CB 3.26Å; D320-F323 WeakPolarHBondContact OD1-CB 3.37Å; D320-F323 PolarHBondContact OD1-N 2.94Å; D320-F323 WeakPolarHBondContact OD2-CB 3.44Å; D320-S324 WeakPolarHBondContact O-CB 3.29Å; D320-S324 PolarHBondContact O-N 2.81Å | ||
| 321 | T | 96.3 | Very high | 96.8 | Very high | 75 Ų | 75 | 65.6 Ų | 65.6 | 46% | 0.46 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -62.9 | -33.7 | 179.9 | -51.1 | 0 | 0 | 0 | 0 | 112.1 | L316 G319 N325 | L316-T321 HydrophobicContact CD2-CG2 4.2Å; G319-T321 VanDerWaalsContact C-N 3.29Å; G319-T321 PolarHBondContact O-N 3.07Å; T321-N325 WeakPolarHBondContact O-CB 3.37Å; T321-N325 VanDerWaalsContact O-CG 3.28Å; T321-N325 PolarHBondContact O-N 2.91Å; T321-N325 PolarHBondContact O-ND2 3.03Å |
| 322 | K | 97.2 | Very high | 96.7 | Very high | 184 Ų | 184 | 66.6 Ų | 66.6 | 80% | 0.8 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -66.8 | -49.5 | -178.5 | -175.9 | 180 | 178.7 | -179.8 | 0 | 110.9 | D320 H326 | D320-K322 VanDerWaalsContact C-N 3.26Å; D320-K322 PolarHBondContact O-N 2.71Å; K322-H326 PolarHBondContact O-N 2.94Å; K322-H326 VanDerWaalsContact O-N 3.11Å |
| 323 | F | 96.4 | Very high | 96.6 | Very high | 31 Ų | 31 | 68.6 Ų | 68.6 | 14% | 0.136 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -72.5 | -33.6 | 179.8 | -166.2 | -123.3 | 0 | 0 | 0 | 111.7 | A277 T280 K281 L315 D320 H326 L327 | A277-F323 HydrophobicContact CB-CD1 3.53Å; A277-F323 HydrophobicContact CB-CE1 3.71Å; A277-F323 HydrophobicContact CB-CG 4.25Å; T280-F323 HydrophobicContact CG2-CE1 4.14Å; K281-F323 HydrophobicContact CD-CZ 4.31Å; K281-F323 HydrophobicContact CG-CE2 4.41Å; K281-F323 HydrophobicContact CG-CZ 3.73Å; L315-F323 HydrophobicContact CD1-CD1 3.37Å; L315-F323 HydrophobicContact CD1-CE1 3.86Å; L315-F323 HydrophobicContact CD1-CG 4.29Å; L315-F323 HydrophobicContact CD2-CD1 3.79Å; L315-F323 HydrophobicContact CG-CD1 4.22Å; D320-F323 VanDerWaalsContact CG-CB 3.41Å; D320-F323 VanDerWaalsContact OD1-CB 3.26Å; D320-F323 WeakPolarHBondContact OD1-CB 3.37Å; D320-F323 PolarHBondContact OD1-N 2.94Å; D320-F323 WeakPolarHBondContact OD2-CB 3.44Å; F323-H326 HydrophobicContact CD2-CB 4.46Å; F323-H326 AromaticContact CE2-CD2 3.99Å; F323-H326 WeakPolarHBondContact O-CB 3.44Å; F323-H326 PolarHBondContact O-N 3.46Å; F323-L327 WeakPolarHBondContact O-CB 3.33Å; F323-L327 PolarHBondContact O-N 2.67Å |
| 324 | S | 97.3 | Very high | 96.5 | Very high | 1 Ų | 1 | 61.9 Ų | 61.9 | 1% | 0.007 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -58.4 | -50 | 171.5 | -174 | 0 | 0 | 0 | 0 | 112.2 | S312 L316 D320 H326 L327 V328 | S312-S324 PolarHBondContact O-OG 2.88Å; S312-S324 PolarHBondContact OG-OG 2.99Å; L316-S324 WeakPolarHBondContact CG-OG 3.46Å; D320-S324 WeakPolarHBondContact O-CB 3.29Å; D320-S324 PolarHBondContact O-N 2.81Å; S324-H326 VanDerWaalsContact C-N 3.3Å; S324-H326 PolarHBondContact O-N 3.33Å; S324-L327 WeakPolarHBondContact O-CB 3.23Å; S324-L327 PolarHBondContact O-N 2.92Å; S324-V328 WeakPolarHBondContact O-CG2 3.39Å; S324-V328 PolarHBondContact O-N 3.22Å |
| 325 | N | 97.3 | Very high | 96.4 | Very high | 89 Ų | 89 | 58.5 Ų | 58.5 | 48% | 0.476 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -60.7 | -38.2 | 176.7 | -76.1 | -25.5 | 0 | 0 | 0 | 112.6 | T321 L327 V328 N329 | T321-N325 WeakPolarHBondContact O-CB 3.37Å; T321-N325 VanDerWaalsContact O-CG 3.28Å; T321-N325 PolarHBondContact O-N 2.91Å; T321-N325 PolarHBondContact O-ND2 3.03Å; N325-L327 VanDerWaalsContact C-N 3.33Å; N325-V328 PolarHBondContact O-N 3.13Å; N325-N329 PolarHBondContact O-N 3.03Å; N325-N329 VanDerWaalsContact O-N 3.12Å; N325-N329 PolarHBondContact O-ND2 2.84Å |
| 326 | H | 96.5 | Very high | 96.3 | Very high | 105 Ų | 105 | 60.9 Ų | 60.9 | 49% | 0.486 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -60.8 | -43.9 | 173.3 | -179 | 73.2 | 0 | 0 | 0 | 111.6 | K322 F323 S324 N329 Y330 | K322-H326 PolarHBondContact O-N 2.94Å; K322-H326 VanDerWaalsContact O-N 3.11Å; F323-H326 HydrophobicContact CD2-CB 4.46Å; F323-H326 AromaticContact CE2-CD2 3.99Å; F323-H326 WeakPolarHBondContact O-CB 3.44Å; F323-H326 PolarHBondContact O-N 3.46Å; S324-H326 VanDerWaalsContact C-N 3.3Å; S324-H326 PolarHBondContact O-N 3.33Å; H326-N329 PolarHBondContact O-N 3.47Å; H326-Y330 WeakPolarHBondContact O-CB 3.36Å; H326-Y330 PolarHBondContact O-N 3.44Å |
| 327 | L | 97.3 | Very high | 96.1 | Very high | 5 Ų | 5 | 58.5 Ų | 58.5 | 3% | 0.026 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -67.9 | -35.7 | 180 | -167.6 | 62.1 | 0 | 0 | 0 | 112.7 | T280 V284 M308 A311 L315 F323 S324 N325 Y330 T331 | T280-L327 HydrophobicContact CG2-CD1 4.14Å; T280-L327 HydrophobicContact CG2-CD2 3.71Å; V284-L327 HydrophobicContact CG2-CD1 4.32Å; M308-L327 HydrophobicContact CB-CD1 4.09Å; M308-L327 HydrophobicContact CB-CD2 4.47Å; M308-L327 HydrophobicContact CB-CG 4.1Å; M308-L327 HydrophobicContact CG-CD1 3.95Å; M308-L327 WeakPolarHBondContact O-CD2 3.36Å; A311-L327 HydrophobicContact CB-CD2 3.75Å; L315-L327 HydrophobicContact CD1-CD2 4.01Å; F323-L327 WeakPolarHBondContact O-CB 3.33Å; F323-L327 PolarHBondContact O-N 2.67Å; S324-L327 WeakPolarHBondContact O-CB 3.23Å; S324-L327 PolarHBondContact O-N 2.92Å; N325-L327 VanDerWaalsContact C-N 3.33Å; L327-Y330 PolarHBondContact O-N 3.31Å; L327-T331 WeakPolarHBondContact O-CB 3.24Å; L327-T331 PolarHBondContact O-N 3.48Å; L327-T331 PolarHBondContact O-OG1 3.34Å |
| 328 | V | 97.4 | Very high | 95.9 | Very high | 27 Ų | 27 | 51.7 Ų | 51.7 | 16% | 0.164 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -61.4 | -45 | 172.7 | 170.9 | 0 | 0 | 0 | 0 | 111.1 | S312 S324 N325 T331 T332 | S312-V328 VanDerWaalsContact OG-CG2 3.28Å; S312-V328 WeakPolarHBondContact OG-CG2 3.28Å; S324-V328 WeakPolarHBondContact O-CG2 3.39Å; S324-V328 PolarHBondContact O-N 3.22Å; N325-V328 PolarHBondContact O-N 3.13Å; V328-T331 PolarHBondContact O-N 2.81Å; V328-T332 PolarHBondContact O-N 3.4Å; V328-T332 VanDerWaalsContact O-N 3.12Å; V328-T332 PolarHBondContact O-OG1 3.37Å |
| 329 | N | 97.1 | Very high | 95.8 | Very high | 95 Ų | 95 | 45.8 Ų | 45.8 | 51% | 0.508 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -66 | -40 | 174.7 | -70.5 | -27.4 | 0 | 0 | 0 | 111.4 | N325 H326 T332 A333 | N325-N329 PolarHBondContact O-N 3.03Å; N325-N329 VanDerWaalsContact O-N 3.12Å; N325-N329 PolarHBondContact O-ND2 2.84Å; H326-N329 PolarHBondContact O-N 3.47Å; N329-T332 WeakPolarHBondContact O-CB 3.41Å; N329-T332 PolarHBondContact O-N 2.9Å; N329-A333 PolarHBondContact O-N 3.13Å |
| 330 | Y | 96.4 | Very high | 95.3 | Very high | 64 Ų | 64 | 45 Ų | 45 | 25% | 0.251 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -64.3 | -41.2 | 177.1 | -166.4 | -102.2 | 0 | 0 | 0 | 112.4 | V284 E288 M308 H326 L327 T332 A333 L334 | V284-Y330 HydrophobicContact CG1-CD1 4.29Å; V284-Y330 HydrophobicContact CG1-CE1 3.58Å; E288-Y330 WeakPolarHBondContact CG-OH 3.34Å; E288-Y330 PolarHBondContact OE1-OH 3.46Å; M308-Y330 HydrophobicContact CE-CD1 3.79Å; M308-Y330 HydrophobicContact CE-CE1 3.63Å; M308-Y330 HydrophobicContact SD-CD1 3.75Å; M308-Y330 HydrophobicContact SD-CE1 4.22Å; H326-Y330 WeakPolarHBondContact O-CB 3.36Å; H326-Y330 PolarHBondContact O-N 3.44Å; L327-Y330 PolarHBondContact O-N 3.31Å; Y330-T332 VanDerWaalsContact C-N 3.29Å; Y330-T332 PolarHBondContact O-N 2.86Å; Y330-A333 PolarHBondContact O-N 3.2Å; Y330-L334 WeakPolarHBondContact O-CB 3.39Å; Y330-L334 PolarHBondContact O-N 2.9Å |
| 331 | T | 97.7 | Very high | 94.1 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -60.1 | -40.9 | 173.9 | -53.9 | 0 | 0 | 0 | 0 | 111.2 | M308 Q309 L327 V328 L334 F335 Y356 | M308-T331 HydrophobicContact CB-CG2 4.48Å; M308-T331 WeakPolarHBondContact CB-OG1 3.33Å; Q309-T331 HydrophobicContact CG-CG2 4.29Å; L327-T331 WeakPolarHBondContact O-CB 3.24Å; L327-T331 PolarHBondContact O-N 3.48Å; L327-T331 PolarHBondContact O-OG1 3.34Å; V328-T331 PolarHBondContact O-N 2.81Å; T331-L334 WeakPolarHBondContact O-CB 3.3Å; T331-L334 PolarHBondContact O-N 3.32Å; T331-F335 HydrophobicContact CG2-CD2 4.13Å; T331-F335 HydrophobicContact CG2-CE2 3.9Å; T331-F335 VanDerWaalsContact O-CD2 3.29Å; T331-F335 WeakPolarHBondContact O-CD2 3.5Å; T331-F335 PolarHBondContact O-N 3.1Å; T331-Y356 HydrophobicContact CG2-CD1 4.41Å; T331-Y356 HydrophobicContact CG2-CE1 3.77Å; T331-Y356 HydrophobicContact CG2-CE2 4.45Å |
| 332 | T | 97.1 | Very high | 92.3 | Very high | 20 Ų | 20 | 41.8 Ų | 41.8 | 12% | 0.123 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -64.3 | -45.4 | 176.3 | -50.2 | 0 | 0 | 0 | 0 | 111 | V328 N329 Y330 L334 F335 E336 Y353 R360 | V328-T332 PolarHBondContact O-N 3.4Å; V328-T332 VanDerWaalsContact O-N 3.12Å; V328-T332 PolarHBondContact O-OG1 3.37Å; N329-T332 WeakPolarHBondContact O-CB 3.41Å; N329-T332 PolarHBondContact O-N 2.9Å; Y330-T332 VanDerWaalsContact C-N 3.29Å; Y330-T332 PolarHBondContact O-N 2.86Å; T332-L334 VanDerWaalsContact C-N 3.31Å; T332-L334 PolarHBondContact O-N 3.38Å; T332-F335 PolarHBondContact O-N 3.48Å; T332-E336 WeakPolarHBondContact O-CG 3.1Å; T332-E336 PolarHBondContact O-N 3.47Å; T332-Y353 HydrophobicContact CG2-CE2 4.18Å; T332-Y353 VanDerWaalsContact CG2-OH 3.3Å; T332-Y353 WeakPolarHBondContact CG2-OH 3.2Å; T332-R360 PolarHBondContact OG1-NH1 3.05Å; T332-R360 PolarHBondContact OG1-NH2 2.71Å |
| 333 | A | 94.9 | Very high | 90.8 | Very high | 55 Ų | 55 | 35.5 Ų | 35.5 | 46% | 0.455 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -64 | -35.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | N329 Y330 E336 R337 | N329-A333 PolarHBondContact O-N 3.13Å; Y330-A333 PolarHBondContact O-N 3.2Å; A333-E336 PolarHBondContact O-N 3.49Å; A333-R337 WeakPolarHBondContact O-CB 3.24Å; A333-R337 PolarHBondContact O-N 3.26Å |
| 334 | L | 95 | Very high | 89.9 | Confident | 4 Ų | 4 | 40.3 Ų | 40.3 | 2% | 0.021 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -61 | -48.5 | 175.1 | -179 | 73.7 | 0 | 0 | 0 | 110.8 | L291 W301 A304 M308 Y330 T331 T332 R337 A338 | L291-L334 HydrophobicContact CD1-CD1 3.96Å; W301-L334 HydrophobicContact CE3-CD1 3.62Å; W301-L334 HydrophobicContact CE3-CG 3.93Å; W301-L334 HydrophobicContact CZ3-CD1 3.52Å; W301-L334 HydrophobicContact CZ3-CG 4.13Å; W301-L334 WeakPolarHBondContact CZ3-O 3.33Å; A304-L334 HydrophobicContact CB-CD2 3.87Å; M308-L334 HydrophobicContact CE-CD2 3.83Å; M308-L334 HydrophobicContact SD-CD2 3.92Å; Y330-L334 WeakPolarHBondContact O-CB 3.39Å; Y330-L334 PolarHBondContact O-N 2.9Å; T331-L334 WeakPolarHBondContact O-CB 3.3Å; T331-L334 PolarHBondContact O-N 3.32Å; T332-L334 VanDerWaalsContact C-N 3.31Å; T332-L334 PolarHBondContact O-N 3.38Å; L334-R337 PolarHBondContact O-N 3.05Å; L334-A338 WeakPolarHBondContact O-CB 3.41Å; L334-A338 PolarHBondContact O-N 3.27Å |
| 335 | F | 95.7 | Very high | 89.3 | Confident | 4 Ų | 4 | 44.1 Ų | 44.1 | 2% | 0.018 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -62.1 | -46.2 | 176.4 | -80.7 | -61.2 | 0 | 0 | 0 | 112.3 | S305 T331 T332 R337 A338 I339 A352 Y353 Y356 | S305-F335 VanDerWaalsContact OG-CZ 3.25Å; S305-F335 WeakPolarHBondContact OG-CZ 3.11Å; T331-F335 HydrophobicContact CG2-CD2 4.13Å; T331-F335 HydrophobicContact CG2-CE2 3.9Å; T331-F335 VanDerWaalsContact O-CD2 3.29Å; T331-F335 WeakPolarHBondContact O-CD2 3.5Å; T331-F335 PolarHBondContact O-N 3.1Å; T332-F335 PolarHBondContact O-N 3.48Å; F335-R337 VanDerWaalsContact C-N 3.3Å; F335-R337 PolarHBondContact O-N 3.11Å; F335-A338 WeakPolarHBondContact O-CB 3.48Å; F335-A338 PolarHBondContact O-N 3.42Å; F335-I339 WeakPolarHBondContact O-CG1 3.2Å; F335-I339 PolarHBondContact O-N 2.79Å; F335-A352 HydrophobicContact CE1-CB 4.04Å; F335-A352 HydrophobicContact CZ-CB 4.4Å; F335-Y353 HydrophobicContact CB-CD1 3.8Å; F335-Y353 HydrophobicContact CB-CD2 3.37Å; F335-Y353 HydrophobicContact CB-CE1 4.14Å; F335-Y353 HydrophobicContact CB-CE2 3.76Å; F335-Y353 HydrophobicContact CB-CG 3.44Å; F335-Y353 VanDerWaalsContact CB-CG 3.44Å; F335-Y353 HydrophobicContact CD1-CD2 4.23Å; F335-Y353 HydrophobicContact CD1-CG 4.09Å; F335-Y353 AromaticContact CD2-CD2 3.46Å; F335-Y353 HydrophobicContact CD2-CD2 3.46Å; F335-Y353 VanDerWaalsContact CD2-CD2 3.46Å; F335-Y353 HydrophobicContact CD2-CE2 4.07Å; F335-Y353 HydrophobicContact CD2-CG 4.15Å; F335-Y353 HydrophobicContact CE2-CD2 4.24Å; F335-Y353 HydrophobicContact CG-CD1 4.49Å; F335-Y353 AromaticContact CG-CD2 3.45Å; F335-Y353 HydrophobicContact CG-CD2 3.45Å; F335-Y353 VanDerWaalsContact CG-CD2 3.45Å; F335-Y353 HydrophobicContact CG-CE2 4.19Å; F335-Y353 AromaticContact CG-CG 3.67Å; F335-Y353 HydrophobicContact CG-CG 3.67Å; F335-Y356 AromaticContact CD2-CD1 3.86Å; F335-Y356 HydrophobicContact CD2-CD1 3.86Å; F335-Y356 HydrophobicContact CD2-CE1 4.42Å; F335-Y356 AromaticContact CE2-CD1 3.66Å; F335-Y356 HydrophobicContact CE2-CD1 3.66Å; F335-Y356 HydrophobicContact CE2-CE1 4.35Å; F335-Y356 AromaticContact CE2-CG 3.9Å; F335-Y356 HydrophobicContact CE2-CG 3.9Å |
| 336 | E | 94.3 | Very high | 88.9 | Confident | 51 Ų | 51 | 40.5 Ų | 40.5 | 24% | 0.238 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -58.1 | -41.8 | 176 | -75.7 | -69.7 | -178.7 | 0 | 0 | 112.1 | T332 A333 A338 G340 Y353 K365 R372 | T332-E336 WeakPolarHBondContact O-CG 3.1Å; T332-E336 PolarHBondContact O-N 3.47Å; A333-E336 PolarHBondContact O-N 3.49Å; E336-A338 VanDerWaalsContact C-N 3.35Å; E336-G340 WeakPolarHBondContact O-CA 3.28Å; E336-G340 PolarHBondContact O-N 3.02Å; E336-Y353 HydrophobicContact CG-CE1 4.18Å; E336-K365 WeakPolarHBondContact OE1-CE 3.29Å; E336-K365 IonicContact OE1-NZ 2.78Å; E336-K365 PolarHBondContact OE1-NZ 2.84Å; E336-R372 IonicContact OE1-NH1 3.01Å; E336-R372 IonicContact OE1-NH2 3.91Å; E336-R372 IonicContact OE2-CZ 3.9Å; E336-R372 IonicContact OE2-NH1 2.71Å; E336-R372 PolarHBondContact OE2-NH1 3.3Å; E336-R372 IonicContact OE2-NH2 2.97Å |
| 337 | R | 92 | Very high | 88.8 | Confident | 36 Ų | 36 | 37.1 Ų | 37.1 | 14% | 0.136 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -62.5 | -42.7 | 173 | -169.5 | 177.1 | 65 | 179.8 | -4 | 110.9 | E101 E288 W301 A333 L334 F335 F341 | E101-R337 PolarHBondContact O-NH1 3.45Å; E288-R337 IonicContact OE1-CZ 2.79Å; E288-R337 IonicContact OE1-NH1 3.89Å; E288-R337 IonicContact OE1-NH2 3.05Å; E288-R337 PolarHBondContact OE1-NH2 3.01Å; E288-R337 IonicContact OE2-CZ 3.46Å; E288-R337 IonicContact OE2-NH1 3.97Å; E288-R337 PolarHBondContact OE2-NH1 3.23Å; E288-R337 IonicContact OE2-NH2 3.6Å; E288-R337 PolarHBondContact OE2-NH2 3.29Å; W301-R337 HydrophobicContact CH2-CB 4.4Å; W301-R337 HydrophobicContact CH2-CG 4.03Å; W301-R337 HydrophobicContact CZ3-CB 4.24Å; W301-R337 HydrophobicContact CZ3-CG 4.35Å; A333-R337 WeakPolarHBondContact O-CB 3.24Å; A333-R337 PolarHBondContact O-N 3.26Å; L334-R337 PolarHBondContact O-N 3.05Å; F335-R337 VanDerWaalsContact C-N 3.3Å; F335-R337 PolarHBondContact O-N 3.11Å; R337-F341 VanDerWaalsContact O-CB 3.23Å; R337-F341 WeakPolarHBondContact O-CB 3.43Å; R337-F341 PolarHBondContact O-N 3.3Å |
| 338 | A | 91.9 | Very high | 88.7 | Confident | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 22% | 0.219 | C | C | . | . | I | π-helix | trans | -62.3 | -48.2 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | W301 L334 F335 E336 W343 L349 | W301-A338 HydrophobicContact CD2-CB 3.68Å; W301-A338 HydrophobicContact CE3-CB 3.35Å; W301-A338 HydrophobicContact CG-CB 4.22Å; W301-A338 HydrophobicContact CH2-CB 4.36Å; W301-A338 HydrophobicContact CZ3-CB 3.7Å; L334-A338 WeakPolarHBondContact O-CB 3.41Å; L334-A338 PolarHBondContact O-N 3.27Å; F335-A338 WeakPolarHBondContact O-CB 3.48Å; F335-A338 PolarHBondContact O-N 3.42Å; E336-A338 VanDerWaalsContact C-N 3.35Å; A338-W343 PolarHBondContact O-N 3.11Å; A338-L349 HydrophobicContact CB-CD1 4Å |
| 339 | I | 92.3 | Very high | 88.5 | Confident | 2 Ų | 2 | 40 Ų | 40 | 1% | 0.01 | 21% | 0.211 | C | C | . | . | I | π-helix | trans | -83.2 | -24.9 | -178.2 | 69 | 170.6 | 0 | 0 | 0 | 113.3 | F335 K344 L349 Y353 | F335-I339 WeakPolarHBondContact O-CG1 3.2Å; F335-I339 PolarHBondContact O-N 2.79Å; I339-K344 WeakPolarHBondContact O-CA 3.23Å; I339-L349 HydrophobicContact CG2-CB 4.13Å; I339-Y353 HydrophobicContact CD1-CD1 3.79Å; I339-Y353 HydrophobicContact CD1-CE1 4.17Å |
| 340 | G | 85 | Confident | 88.5 | Confident | 39 Ų | 39 | 35.6 Ų | 35.6 | 40% | 0.402 | 19% | 0.187 | S | C | . | . | I | π-helix | trans | -83.7 | -37.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | E336 K344 | E336-G340 WeakPolarHBondContact O-CA 3.28Å; E336-G340 PolarHBondContact O-N 3.02Å; G340-K344 WeakPolarHBondContact O-CE 3.46Å |
| 341 | F | 71.2 | Confident | 88.5 | Confident | 51 Ų | 51 | 33.6 Ų | 33.6 | 22% | 0.224 | 18% | 0.18 | C | C | . | . | I | π-helix | trans | -94.1 | -78 | -176.8 | 171.2 | -144.2 | 0 | 0 | 0 | 112.3 | P51 N52 R337 | P51-F341 HydrophobicContact CB-CD1 4.29Å; P51-F341 HydrophobicContact CB-CD2 3.72Å; P51-F341 HydrophobicContact CB-CE1 3.94Å; P51-F341 HydrophobicContact CB-CE2 3.44Å; P51-F341 VanDerWaalsContact CB-CE2 3.44Å; P51-F341 HydrophobicContact CB-CG 4.22Å; P51-F341 HydrophobicContact CB-CZ 3.52Å; P51-F341 HydrophobicContact CG-CD2 3.43Å; P51-F341 VanDerWaalsContact CG-CD2 3.43Å; P51-F341 HydrophobicContact CG-CE1 4.44Å; P51-F341 HydrophobicContact CG-CE2 3.04Å; P51-F341 HydrophobicContact CG-CG 4.38Å; P51-F341 HydrophobicContact CG-CZ 3.6Å; N52-F341 HydrophobicContact CB-CE1 3.68Å; N52-F341 HydrophobicContact CB-CZ 4.33Å; R337-F341 VanDerWaalsContact O-CB 3.23Å; R337-F341 WeakPolarHBondContact O-CB 3.43Å; R337-F341 PolarHBondContact O-N 3.3Å |
| 342 | V | 59.2 | Low | 88.5 | Confident | 14 Ų | 14 | 34.1 Ų | 34.1 | 9% | 0.085 | 18% | 0.184 | C | C | . | . | I | π-helix | trans | -82.7 | -31.8 | -158.1 | -169.8 | 0 | 0 | 0 | 0 | 112.2 | G295 F296 W301 | G295-V342 WeakPolarHBondContact O-CG1 3.46Å; F296-V342 HydrophobicContact CB-CG1 4.3Å; F296-V342 HydrophobicContact CD1-CG1 3.28Å; F296-V342 HydrophobicContact CD2-CG1 3.78Å; F296-V342 HydrophobicContact CE1-CG1 3.32Å; F296-V342 WeakPolarHBondContact CE1-O 3.47Å; F296-V342 HydrophobicContact CE2-CG1 3.8Å; F296-V342 HydrophobicContact CG-CG1 3.5Å; F296-V342 HydrophobicContact CZ-CG1 3.55Å; W301-V342 HydrophobicContact CZ2-CG2 4.01Å |
| 343 | W | 65.5 | Low | 88.5 | Confident | 52 Ų | 52 | 33.1 Ų | 33.1 | 20% | 0.197 | 18% | 0.179 | C | C | . | . | trans | -142.9 | 73.4 | -175.6 | -45.9 | 68.2 | 0 | 0 | 0 | 114.2 | G295 F296 S298 A338 N345 N346 | G295-W343 PolarHBondContact O-NE1 3.47Å; G295-W343 VanDerWaalsContact O-NE1 3.09Å; F296-W343 HydrophobicContact CB-CZ2 4.35Å; F296-W343 VanDerWaalsContact O-CH2 3.3Å; F296-W343 WeakPolarHBondContact O-CH2 3.49Å; F296-W343 WeakPolarHBondContact O-CZ2 3.31Å; S298-W343 VanDerWaalsContact N-CZ2 3.3Å; A338-W343 PolarHBondContact O-N 3.11Å; W343-N345 PolarHBondContact O-N 3.2Å; W343-N346 HydrophobicContact CB-CB 3.21Å; W343-N346 HydrophobicContact CD2-CB 3.68Å; W343-N346 HydrophobicContact CE3-CB 3.45Å; W343-N346 VanDerWaalsContact CE3-CB 3.45Å; W343-N346 HydrophobicContact CG-CB 3.69Å; W343-N346 WeakPolarHBondContact CH2-ND2 3.5Å; W343-N346 HydrophobicContact CZ3-CB 4.23Å; W343-N346 WeakPolarHBondContact CZ3-ND2 3.45Å; W343-N346 PolarHBondContact O-N 3.43Å | ||
| 344 | K | 77.1 | Confident | 88.7 | Confident | 133 Ų | 133 | 30.5 Ų | 30.5 | 58% | 0.578 | 16% | 0.157 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -52.9 | -24.4 | 165.3 | -59.2 | -174.5 | -178.5 | -172.8 | 0 | 112.4 | I339 G340 H350 N376 | I339-K344 WeakPolarHBondContact O-CA 3.23Å; G340-K344 WeakPolarHBondContact O-CE 3.46Å; K344-H350 PolarHBondContact O-CE1 3.17Å; K344-N376 VanDerWaalsContact C-ND2 3.32Å; K344-N376 PolarHBondContact O-ND2 3.01Å |
| 345 | N | 83.9 | Confident | 88.8 | Confident | 80 Ų | 80 | 33.9 Ų | 33.9 | 43% | 0.428 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.2 | -7 | -177.8 | -57.2 | 6.9 | 0 | 0 | 0 | 113.8 | W343 V347 N376 A378 I379 | W343-N345 PolarHBondContact O-N 3.2Å; N345-V347 PolarHBondContact O-N 3.31Å; N345-N376 PolarHBondContact OD1-ND2 2.89Å; N345-A378 WeakPolarHBondContact ND2-CB 3.31Å; N345-I379 HydrophobicContact CB-CG2 3.66Å |
| 346 | N | 89.3 | Confident | 88.9 | Confident | 13 Ų | 13 | 34.3 Ų | 34.3 | 7% | 0.07 | 18% | 0.176 | C | C | . | . | trans | -76.9 | 102.2 | -178.6 | -172.5 | -61.2 | 0 | 0 | 0 | 110.4 | S298 W343 L348 L349 H350 | S298-N346 WeakPolarHBondContact CB-ND2 3.43Å; W343-N346 HydrophobicContact CB-CB 3.21Å; W343-N346 HydrophobicContact CD2-CB 3.68Å; W343-N346 HydrophobicContact CE3-CB 3.45Å; W343-N346 VanDerWaalsContact CE3-CB 3.45Å; W343-N346 HydrophobicContact CG-CB 3.69Å; W343-N346 WeakPolarHBondContact CH2-ND2 3.5Å; W343-N346 HydrophobicContact CZ3-CB 4.23Å; W343-N346 WeakPolarHBondContact CZ3-ND2 3.45Å; W343-N346 PolarHBondContact O-N 3.43Å; N346-L348 VanDerWaalsContact C-N 3.32Å; N346-L348 PolarHBondContact O-N 3.25Å; N346-L348 WeakPolarHBondContact OD1-CA 3.35Å; N346-L348 VanDerWaalsContact OD1-CB 3.28Å; N346-L348 WeakPolarHBondContact OD1-CB 3.28Å; N346-L348 PolarHBondContact OD1-N 3.35Å; N346-L349 HydrophobicContact CB-CD1 4.35Å; N346-L349 HydrophobicContact CB-CG 4.5Å; N346-L349 PolarHBondContact OD1-N 3.43Å; N346-H350 PolarHBondContact O-ND1 2.98Å | ||
| 347 | V | 94.1 | Very high | 89.1 | Confident | 34 Ų | 34 | 31.9 Ų | 31.9 | 21% | 0.206 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -63.6 | -36.2 | -179.4 | -180 | 0 | 0 | 0 | 0 | 112 | N345 H350 F351 L373 I379 L383 | N345-V347 PolarHBondContact O-N 3.31Å; V347-H350 PolarHBondContact O-N 3.37Å; V347-F351 HydrophobicContact CG1-CD1 4.31Å; V347-F351 HydrophobicContact CG1-CD2 4.06Å; V347-F351 HydrophobicContact CG1-CE1 3.6Å; V347-F351 HydrophobicContact CG1-CE2 3.32Å; V347-F351 HydrophobicContact CG1-CZ 3.05Å; V347-F351 WeakPolarHBondContact O-CD1 3.21Å; V347-F351 VanDerWaalsContact O-CG 3.29Å; V347-F351 WeakPolarHBondContact O-CG 3.37Å; V347-F351 PolarHBondContact O-N 3.2Å; V347-F351 VanDerWaalsContact O-N 3.07Å; V347-L373 HydrophobicContact CG1-CD2 4.23Å; V347-L373 HydrophobicContact CG2-CD1 4.39Å; V347-I379 HydrophobicContact CG2-CD1 4.27Å; V347-L383 HydrophobicContact CG1-CD2 4.47Å |
| 348 | L | 94.7 | Very high | 89.3 | Confident | 92 Ų | 92 | 31.7 Ų | 31.7 | 48% | 0.482 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -62.3 | -45.5 | -179 | 174.2 | 66 | 0 | 0 | 0 | 112.8 | N346 H350 F351 A352 | N346-L348 VanDerWaalsContact C-N 3.32Å; N346-L348 PolarHBondContact O-N 3.25Å; N346-L348 WeakPolarHBondContact OD1-CA 3.35Å; N346-L348 VanDerWaalsContact OD1-CB 3.28Å; N346-L348 WeakPolarHBondContact OD1-CB 3.28Å; N346-L348 PolarHBondContact OD1-N 3.35Å; L348-H350 VanDerWaalsContact C-N 3.31Å; L348-H350 PolarHBondContact O-N 3.45Å; L348-F351 PolarHBondContact O-N 2.96Å; L348-A352 PolarHBondContact O-N 3.06Å |
| 349 | L | 94.9 | Very high | 89.5 | Confident | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -70 | -29.9 | -179.3 | -66.8 | 176.3 | 0 | 0 | 0 | 112.2 | W301 A338 I339 N346 Y353 | W301-L349 HydrophobicContact CB-CD1 4.15Å; W301-L349 HydrophobicContact CB-CD2 3.77Å; W301-L349 HydrophobicContact CG-CD1 4.25Å; A338-L349 HydrophobicContact CB-CD1 4Å; I339-L349 HydrophobicContact CG2-CB 4.13Å; N346-L349 HydrophobicContact CB-CD1 4.35Å; N346-L349 HydrophobicContact CB-CG 4.5Å; N346-L349 PolarHBondContact OD1-N 3.43Å; L349-Y353 VanDerWaalsContact O-CB 3.28Å; L349-Y353 WeakPolarHBondContact O-CB 3.5Å; L349-Y353 PolarHBondContact O-N 2.74Å |
| 350 | H | 96.3 | Very high | 89.7 | Confident | 3 Ų | 3 | 41.1 Ų | 41.1 | 1% | 0.014 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -66.6 | -41.2 | 170.5 | -71.7 | 79.2 | 0 | 0 | 0 | 111.2 | K344 N346 V347 L348 Y353 A354 I369 L373 | K344-H350 PolarHBondContact O-CE1 3.17Å; N346-H350 PolarHBondContact O-ND1 2.98Å; V347-H350 PolarHBondContact O-N 3.37Å; L348-H350 VanDerWaalsContact C-N 3.31Å; L348-H350 PolarHBondContact O-N 3.45Å; H350-Y353 PolarHBondContact O-N 2.98Å; H350-A354 VanDerWaalsContact O-CB 3.3Å; H350-A354 WeakPolarHBondContact O-CB 3.41Å; H350-A354 PolarHBondContact O-N 2.87Å; H350-I369 HydrophobicContact CB-CG2 4.16Å; H350-I369 WeakPolarHBondContact O-CG2 3.3Å; H350-L373 HydrophobicContact CB-CD1 4.31Å; H350-L373 HydrophobicContact CB-CD2 3.84Å; H350-L373 HydrophobicContact CB-CG 4.47Å |
| 351 | F | 97.4 | Very high | 90.2 | Very high | 22 Ų | 22 | 45.5 Ų | 45.5 | 10% | 0.096 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -65.4 | -49.5 | 176.4 | -62.6 | -15.9 | 0 | 0 | 0 | 112 | V347 L348 Y353 A354 D355 Y370 L373 L383 A384 Q387 | V347-F351 HydrophobicContact CG1-CD1 4.31Å; V347-F351 HydrophobicContact CG1-CD2 4.06Å; V347-F351 HydrophobicContact CG1-CE1 3.6Å; V347-F351 HydrophobicContact CG1-CE2 3.32Å; V347-F351 HydrophobicContact CG1-CZ 3.05Å; V347-F351 WeakPolarHBondContact O-CD1 3.21Å; V347-F351 VanDerWaalsContact O-CG 3.29Å; V347-F351 WeakPolarHBondContact O-CG 3.37Å; V347-F351 PolarHBondContact O-N 3.2Å; V347-F351 VanDerWaalsContact O-N 3.07Å; L348-F351 PolarHBondContact O-N 2.96Å; F351-Y353 PolarHBondContact O-N 3.46Å; F351-A354 WeakPolarHBondContact O-CB 3.36Å; F351-A354 PolarHBondContact O-N 3.35Å; F351-A354 VanDerWaalsContact O-N 3.13Å; F351-D355 PolarHBondContact O-N 3.07Å; F351-Y370 AromaticContact CD1-CE1 4Å; F351-Y370 HydrophobicContact CD1-CE1 4Å; F351-Y370 AromaticContact CE1-CE1 3.95Å; F351-Y370 HydrophobicContact CE1-CE1 3.95Å; F351-L373 HydrophobicContact CE1-CD2 3.94Å; F351-L383 HydrophobicContact CE2-CD2 3.85Å; F351-L383 HydrophobicContact CE2-CG 3.79Å; F351-L383 HydrophobicContact CZ-CD2 4.33Å; F351-L383 HydrophobicContact CZ-CG 3.88Å; F351-A384 HydrophobicContact CE1-CB 4.4Å; F351-Q387 HydrophobicContact CD1-CB 4.29Å; F351-Q387 HydrophobicContact CD1-CG 4.23Å; F351-Q387 HydrophobicContact CD2-CG 3.99Å; F351-Q387 HydrophobicContact CE1-CB 3.95Å; F351-Q387 HydrophobicContact CE1-CG 3.85Å; F351-Q387 HydrophobicContact CE2-CG 3.56Å; F351-Q387 HydrophobicContact CG-CG 4.3Å; F351-Q387 HydrophobicContact CZ-CB 4.06Å; F351-Q387 HydrophobicContact CZ-CG 3.48Å; F351-Q387 VanDerWaalsContact CZ-CG 3.48Å |
| 352 | A | 97 | Very high | 91.4 | Very high | 11 Ų | 11 | 48.5 Ų | 48.5 | 9% | 0.091 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -58 | -38.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y302 F335 L348 Y356 | Y302-A352 HydrophobicContact CD2-CB 3.7Å; Y302-A352 HydrophobicContact CE2-CB 3.81Å; F335-A352 HydrophobicContact CE1-CB 4.04Å; F335-A352 HydrophobicContact CZ-CB 4.4Å; L348-A352 PolarHBondContact O-N 3.06Å; A352-Y356 WeakPolarHBondContact O-CB 3.25Å; A352-Y356 PolarHBondContact O-N 3.21Å |
| 353 | Y | 97.5 | Very high | 93.3 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -70.6 | -41.8 | 176.6 | -172.4 | -154.4 | 0 | 0 | 0 | 112.4 | T332 F335 E336 I339 L349 H350 F351 Y356 E357 K365 I369 | T332-Y353 HydrophobicContact CG2-CE2 4.18Å; T332-Y353 VanDerWaalsContact CG2-OH 3.3Å; T332-Y353 WeakPolarHBondContact CG2-OH 3.2Å; F335-Y353 HydrophobicContact CB-CD1 3.8Å; F335-Y353 HydrophobicContact CB-CD2 3.37Å; F335-Y353 HydrophobicContact CB-CE1 4.14Å; F335-Y353 HydrophobicContact CB-CE2 3.76Å; F335-Y353 HydrophobicContact CB-CG 3.44Å; F335-Y353 VanDerWaalsContact CB-CG 3.44Å; F335-Y353 HydrophobicContact CD1-CD2 4.23Å; F335-Y353 HydrophobicContact CD1-CG 4.09Å; F335-Y353 AromaticContact CD2-CD2 3.46Å; F335-Y353 HydrophobicContact CD2-CD2 3.46Å; F335-Y353 VanDerWaalsContact CD2-CD2 3.46Å; F335-Y353 HydrophobicContact CD2-CE2 4.07Å; F335-Y353 HydrophobicContact CD2-CG 4.15Å; F335-Y353 HydrophobicContact CE2-CD2 4.24Å; F335-Y353 HydrophobicContact CG-CD1 4.49Å; F335-Y353 AromaticContact CG-CD2 3.45Å; F335-Y353 HydrophobicContact CG-CD2 3.45Å; F335-Y353 VanDerWaalsContact CG-CD2 3.45Å; F335-Y353 HydrophobicContact CG-CE2 4.19Å; F335-Y353 AromaticContact CG-CG 3.67Å; F335-Y353 HydrophobicContact CG-CG 3.67Å; E336-Y353 HydrophobicContact CG-CE1 4.18Å; I339-Y353 HydrophobicContact CD1-CD1 3.79Å; I339-Y353 HydrophobicContact CD1-CE1 4.17Å; L349-Y353 VanDerWaalsContact O-CB 3.28Å; L349-Y353 WeakPolarHBondContact O-CB 3.5Å; L349-Y353 PolarHBondContact O-N 2.74Å; H350-Y353 PolarHBondContact O-N 2.98Å; F351-Y353 PolarHBondContact O-N 3.46Å; Y353-Y356 HydrophobicContact CD2-CD1 4.29Å; Y353-Y356 HydrophobicContact CE2-CD1 4.39Å; Y353-Y356 PolarHBondContact O-N 2.95Å; Y353-E357 HydrophobicContact CD2-CG 3.88Å; Y353-E357 HydrophobicContact CE2-CG 3.46Å; Y353-E357 VanDerWaalsContact CE2-CG 3.46Å; Y353-E357 WeakPolarHBondContact CE2-OE1 3.38Å; Y353-E357 VanDerWaalsContact CZ-OE1 3.3Å; Y353-E357 WeakPolarHBondContact O-CG 3.47Å; Y353-E357 PolarHBondContact O-N 3.46Å; Y353-E357 PolarHBondContact OH-OE1 3.24Å; Y353-K365 WeakPolarHBondContact OH-CE 3.4Å; Y353-I369 HydrophobicContact CD1-CD1 3.32Å; Y353-I369 HydrophobicContact CD1-CG1 3.67Å; Y353-I369 HydrophobicContact CD1-CG2 4.41Å; Y353-I369 HydrophobicContact CD2-CD1 4.14Å; Y353-I369 HydrophobicContact CE1-CD1 3.49Å; Y353-I369 VanDerWaalsContact CE1-CD1 3.49Å; Y353-I369 HydrophobicContact CE1-CG1 3.76Å; Y353-I369 HydrophobicContact CE2-CD1 4.26Å; Y353-I369 HydrophobicContact CG-CD1 3.65Å; Y353-I369 HydrophobicContact CG-CG1 4.43Å |
| 354 | A | 98.1 | Very high | 94.8 | Very high | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -60 | -46.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | H350 F351 Y356 E357 E358 V366 I369 Y370 | H350-A354 VanDerWaalsContact O-CB 3.3Å; H350-A354 WeakPolarHBondContact O-CB 3.41Å; H350-A354 PolarHBondContact O-N 2.87Å; F351-A354 WeakPolarHBondContact O-CB 3.36Å; F351-A354 PolarHBondContact O-N 3.35Å; F351-A354 VanDerWaalsContact O-N 3.13Å; A354-Y356 VanDerWaalsContact C-N 3.34Å; A354-Y356 PolarHBondContact O-N 2.84Å; A354-E357 PolarHBondContact O-N 3.38Å; A354-E358 WeakPolarHBondContact O-CB 3.41Å; A354-E358 PolarHBondContact O-N 3.24Å; A354-V366 HydrophobicContact CB-CG1 4.03Å; A354-V366 WeakPolarHBondContact O-CG2 3.4Å; A354-I369 HydrophobicContact CB-CG2 4.25Å; A354-Y370 HydrophobicContact CB-CD2 4.29Å; A354-Y370 HydrophobicContact CB-CE2 3.66Å |
| 355 | D | 97.6 | Very high | 95.8 | Very high | 74 Ų | 74 | 50 Ų | 50 | 40% | 0.396 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -61.8 | -43.1 | 177.2 | -68.9 | -21.6 | 0 | 0 | 0 | 110.8 | F351 E357 E358 E359 | F351-D355 PolarHBondContact O-N 3.07Å; D355-E357 PolarHBondContact O-N 3.03Å; D355-E358 PolarHBondContact O-N 2.97Å; D355-E359 WeakPolarHBondContact O-CG 3.47Å; D355-E359 PolarHBondContact O-N 3.01Å |
| 356 | Y | 97.8 | Very high | 96.4 | Very high | 13 Ų | 13 | 46.1 Ų | 46.1 | 5% | 0.051 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -61.7 | -38.7 | 176.1 | 178.3 | -120 | 0 | 0 | 0 | 113.5 | Q309 T331 F335 A352 Y353 A354 R360 | Q309-Y356 VanDerWaalsContact CD-CD2 3.45Å; Q309-Y356 HydrophobicContact CG-CD2 3.94Å; Q309-Y356 HydrophobicContact CG-CE2 3.55Å; T331-Y356 HydrophobicContact CG2-CD1 4.41Å; T331-Y356 HydrophobicContact CG2-CE1 3.77Å; T331-Y356 HydrophobicContact CG2-CE2 4.45Å; F335-Y356 AromaticContact CD2-CD1 3.86Å; F335-Y356 HydrophobicContact CD2-CD1 3.86Å; F335-Y356 HydrophobicContact CD2-CE1 4.42Å; F335-Y356 AromaticContact CE2-CD1 3.66Å; F335-Y356 HydrophobicContact CE2-CD1 3.66Å; F335-Y356 HydrophobicContact CE2-CE1 4.35Å; F335-Y356 AromaticContact CE2-CG 3.9Å; F335-Y356 HydrophobicContact CE2-CG 3.9Å; A352-Y356 WeakPolarHBondContact O-CB 3.25Å; A352-Y356 PolarHBondContact O-N 3.21Å; Y353-Y356 HydrophobicContact CD2-CD1 4.29Å; Y353-Y356 HydrophobicContact CE2-CD1 4.39Å; Y353-Y356 PolarHBondContact O-N 2.95Å; A354-Y356 VanDerWaalsContact C-N 3.34Å; A354-Y356 PolarHBondContact O-N 2.84Å; Y356-R360 VanDerWaalsContact CE1-NH1 3.32Å; Y356-R360 VanDerWaalsContact CE1-NH2 3.28Å; Y356-R360 VanDerWaalsContact CZ-CZ 3.46Å; Y356-R360 WeakPolarHBondContact O-CG 3.48Å; Y356-R360 PolarHBondContact O-N 3.34Å; Y356-R360 PolarHBondContact OH-NH1 2.96Å |
| 357 | E | 98 | Very high | 96.8 | Very high | 1 Ų | 1 | 47.8 Ų | 47.8 | 1% | 0.005 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -75 | -31.3 | 175.8 | -66.5 | -70.5 | -174.8 | 0 | 0 | 112.5 | Y353 A354 D355 R360 M361 R362 K365 V366 I369 | Y353-E357 HydrophobicContact CD2-CG 3.88Å; Y353-E357 HydrophobicContact CE2-CG 3.46Å; Y353-E357 VanDerWaalsContact CE2-CG 3.46Å; Y353-E357 WeakPolarHBondContact CE2-OE1 3.38Å; Y353-E357 VanDerWaalsContact CZ-OE1 3.3Å; Y353-E357 WeakPolarHBondContact O-CG 3.47Å; Y353-E357 PolarHBondContact O-N 3.46Å; Y353-E357 PolarHBondContact OH-OE1 3.24Å; A354-E357 PolarHBondContact O-N 3.38Å; D355-E357 PolarHBondContact O-N 3.03Å; E357-R360 CarbonylContact O-C 3.51Å; E357-R360 PolarHBondContact O-N 3.42Å; E357-R360 IonicContact OE1-NH2 3.7Å; E357-R360 PolarHBondContact OE1-NH2 3.19Å; E357-R360 IonicContact OE2-CZ 3.89Å; E357-R360 IonicContact OE2-NE 3.1Å; E357-R360 PolarHBondContact OE2-NE 3.46Å; E357-R360 IonicContact OE2-NH2 2.65Å; E357-R360 PolarHBondContact OE2-NH2 3.32Å; E357-M361 PolarHBondContact O-N 2.95Å; E357-R362 HydrophobicContact CB-CB 4.4Å; E357-R362 PolarHBondContact O-N 3.28Å; E357-R362 WeakPolarHBondContact OE2-CD 3.49Å; E357-K365 HydrophobicContact CB-CB 4.44Å; E357-K365 HydrophobicContact CB-CG 4.41Å; E357-K365 HydrophobicContact CG-CB 4.31Å; E357-K365 HydrophobicContact CG-CG 3.77Å; E357-V366 HydrophobicContact CB-CG2 3.67Å; E357-I369 HydrophobicContact CB-CD1 4.42Å; E357-I369 HydrophobicContact CG-CD1 3.85Å |
| 358 | E | 97.3 | Very high | 97 | Very high | 31 Ų | 31 | 48.5 Ų | 48.5 | 15% | 0.145 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -65.4 | -44.5 | 174.1 | -174.6 | 176.6 | 177 | 0 | 0 | 111.3 | A354 D355 R360 M361 F363 V366 F391 R394 | A354-E358 WeakPolarHBondContact O-CB 3.41Å; A354-E358 PolarHBondContact O-N 3.24Å; D355-E358 PolarHBondContact O-N 2.97Å; E358-R360 PolarHBondContact O-N 2.99Å; E358-M361 WeakPolarHBondContact O-CA 3.45Å; E358-M361 PolarHBondContact O-N 2.9Å; E358-F363 HydrophobicContact CG-CE1 4.31Å; E358-V366 HydrophobicContact CB-CG2 4.02Å; E358-F391 HydrophobicContact CG-CD2 4.31Å; E358-F391 HydrophobicContact CG-CE2 4.25Å; E358-F391 WeakPolarHBondContact OE2-CD2 3.23Å; E358-R394 IonicContact OE1-CZ 3.21Å; E358-R394 IonicContact OE1-NE 2.79Å; E358-R394 PolarHBondContact OE1-NE 3.24Å; E358-R394 IonicContact OE1-NH2 3.55Å; E358-R394 PolarHBondContact OE1-NH2 2.98Å; E358-R394 IonicContact OE2-CZ 3.47Å; E358-R394 IonicContact OE2-NE 3.37Å; E358-R394 IonicContact OE2-NH2 2.85Å; E358-R394 PolarHBondContact OE2-NH2 2.88Å |
| 359 | E | 95.7 | Very high | 97.1 | Very high | 143 Ų | 143 | 44.1 Ų | 44.1 | 67% | 0.668 | 21% | 0.211 | S | C | * | . | H | α-helix | trans | -58.5 | -30.6 | 175 | -74.7 | -177.9 | -176.9 | 0 | 0 | 112.7 | D355 M361 | D355-E359 WeakPolarHBondContact O-CG 3.47Å; D355-E359 PolarHBondContact O-N 3.01Å; E359-M361 VanDerWaalsContact C-N 3.29Å |
| 360 | R | 95.4 | Very high | 97.2 | Very high | 58 Ų | 58 | 44.2 Ų | 44.2 | 22% | 0.219 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.3 | 9.7 | 176.3 | -61.3 | -172.6 | -56.8 | 178.3 | 1.9 | 113.3 | T332 Y356 E357 E358 R362 | T332-R360 PolarHBondContact OG1-NH1 3.05Å; T332-R360 PolarHBondContact OG1-NH2 2.71Å; Y356-R360 VanDerWaalsContact CE1-NH1 3.32Å; Y356-R360 VanDerWaalsContact CE1-NH2 3.28Å; Y356-R360 VanDerWaalsContact CZ-CZ 3.46Å; Y356-R360 WeakPolarHBondContact O-CG 3.48Å; Y356-R360 PolarHBondContact O-N 3.34Å; Y356-R360 PolarHBondContact OH-NH1 2.96Å; E357-R360 CarbonylContact O-C 3.51Å; E357-R360 PolarHBondContact O-N 3.42Å; E357-R360 IonicContact OE1-NH2 3.7Å; E357-R360 PolarHBondContact OE1-NH2 3.19Å; E357-R360 IonicContact OE2-CZ 3.89Å; E357-R360 IonicContact OE2-NE 3.1Å; E357-R360 PolarHBondContact OE2-NE 3.46Å; E357-R360 IonicContact OE2-NH2 2.65Å; E357-R360 PolarHBondContact OE2-NH2 3.32Å; E358-R360 PolarHBondContact O-N 2.99Å; R360-R362 HydrophobicContact CB-CG 4.42Å; R360-R362 PolarHBondContact O-N 3.33Å |
| 361 | M | 96.5 | Very high | 97.2 | Very high | 131 Ų | 131 | 46.7 Ų | 46.7 | 65% | 0.645 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 59.3 | 24.3 | 179.3 | -51.9 | -67.1 | -79.2 | 0 | 0 | 113.6 | E357 E358 E359 F363 | E357-M361 PolarHBondContact O-N 2.95Å; E358-M361 WeakPolarHBondContact O-CA 3.45Å; E358-M361 PolarHBondContact O-N 2.9Å; E359-M361 VanDerWaalsContact C-N 3.29Å; M361-F363 VanDerWaalsContact C-N 3.33Å; M361-F363 HydrophobicContact CB-CE2 4.22Å; M361-F363 HydrophobicContact CB-CZ 4.17Å; M361-F363 HydrophobicContact CE-CE2 3.91Å; M361-F363 HydrophobicContact CE-CZ 3.5Å; M361-F363 PolarHBondContact O-N 2.64Å; M361-F363 HydrophobicContact SD-CE1 4.25Å; M361-F363 HydrophobicContact SD-CE2 4.37Å; M361-F363 HydrophobicContact SD-CZ 3.59Å; M361-F363 VanDerWaalsContact SD-CZ 3.59Å |
| 362 | R | 97.3 | Very high | 97.1 | Very high | 114 Ų | 114 | 49.6 Ų | 49.6 | 43% | 0.43 | 24% | 0.236 | S | C | . | . | trans | -92.5 | 62.5 | 178.9 | -68.7 | -170.4 | 176.8 | 170.6 | -0.4 | 111.2 | E357 R360 D364 K365 V366 | E357-R362 HydrophobicContact CB-CB 4.4Å; E357-R362 PolarHBondContact O-N 3.28Å; E357-R362 WeakPolarHBondContact OE2-CD 3.49Å; R360-R362 HydrophobicContact CB-CG 4.42Å; R360-R362 PolarHBondContact O-N 3.33Å; R362-D364 VanDerWaalsContact C-N 3.35Å; R362-D364 PolarHBondContact O-N 3.46Å; R362-K365 HydrophobicContact CB-CB 4.13Å; R362-K365 WeakPolarHBondContact O-CA 3.46Å; R362-K365 VanDerWaalsContact O-CB 3.27Å; R362-K365 WeakPolarHBondContact O-CB 3.3Å; R362-K365 PolarHBondContact O-N 2.74Å; R362-V366 PolarHBondContact O-N 2.99Å; R362-V366 VanDerWaalsContact O-N 3.16Å | ||
| 363 | F | 97.3 | Very high | 97 | Very high | 45 Ų | 45 | 49.1 Ų | 49.1 | 20% | 0.197 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -64 | -33.2 | -169.3 | -53.7 | -60 | 0 | 0 | 0 | 115.2 | E358 M361 K365 V366 Q367 F391 R395 | E358-F363 HydrophobicContact CG-CE1 4.31Å; M361-F363 VanDerWaalsContact C-N 3.33Å; M361-F363 HydrophobicContact CB-CE2 4.22Å; M361-F363 HydrophobicContact CB-CZ 4.17Å; M361-F363 HydrophobicContact CE-CE2 3.91Å; M361-F363 HydrophobicContact CE-CZ 3.5Å; M361-F363 PolarHBondContact O-N 2.64Å; M361-F363 HydrophobicContact SD-CE1 4.25Å; M361-F363 HydrophobicContact SD-CE2 4.37Å; M361-F363 HydrophobicContact SD-CZ 3.59Å; M361-F363 VanDerWaalsContact SD-CZ 3.59Å; F363-K365 PolarHBondContact O-N 3.42Å; F363-V366 WeakPolarHBondContact O-CB 3.43Å; F363-V366 PolarHBondContact O-N 2.83Å; F363-V366 VanDerWaalsContact O-N 3.17Å; F363-Q367 PolarHBondContact O-N 3.23Å; F363-F391 HydrophobicContact CB-CZ 4.35Å; F363-F391 HydrophobicContact CD1-CE2 4.05Å; F363-F391 HydrophobicContact CD1-CZ 4.32Å; F363-R395 VanDerWaalsContact CB-NH2 3.26Å |
| 364 | D | 97.5 | Very high | 96.9 | Very high | 121 Ų | 121 | 49.9 Ų | 49.9 | 65% | 0.647 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -64.5 | -33.5 | 176.5 | -57.2 | -29.2 | 0 | 0 | 0 | 110.8 | R362 Q367 S368 | R362-D364 VanDerWaalsContact C-N 3.35Å; R362-D364 PolarHBondContact O-N 3.46Å; D364-Q367 PolarHBondContact O-N 3.22Å; D364-S368 PolarHBondContact O-N 3.43Å |
| 365 | K | 97.5 | Very high | 96.7 | Very high | 63 Ų | 63 | 57.4 Ų | 57.4 | 27% | 0.274 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -68.5 | -42.5 | 174 | -169.8 | 61.2 | 173.9 | -179.3 | 0 | 111.3 | E336 Y353 E357 R362 F363 Q367 S368 I369 | E336-K365 WeakPolarHBondContact OE1-CE 3.29Å; E336-K365 IonicContact OE1-NZ 2.78Å; E336-K365 PolarHBondContact OE1-NZ 2.84Å; Y353-K365 WeakPolarHBondContact OH-CE 3.4Å; E357-K365 HydrophobicContact CB-CB 4.44Å; E357-K365 HydrophobicContact CB-CG 4.41Å; E357-K365 HydrophobicContact CG-CB 4.31Å; E357-K365 HydrophobicContact CG-CG 3.77Å; R362-K365 HydrophobicContact CB-CB 4.13Å; R362-K365 WeakPolarHBondContact O-CA 3.46Å; R362-K365 VanDerWaalsContact O-CB 3.27Å; R362-K365 WeakPolarHBondContact O-CB 3.3Å; R362-K365 PolarHBondContact O-N 2.74Å; F363-K365 PolarHBondContact O-N 3.42Å; K365-Q367 VanDerWaalsContact C-N 3.33Å; K365-Q367 PolarHBondContact O-N 3.12Å; K365-S368 WeakPolarHBondContact O-CB 3.49Å; K365-S368 PolarHBondContact O-N 3.04Å; K365-S368 VanDerWaalsContact O-N 3.15Å; K365-I369 HydrophobicContact CG-CD1 4.2Å; K365-I369 VanDerWaalsContact O-CG1 3.29Å; K365-I369 WeakPolarHBondContact O-CG1 3.3Å; K365-I369 PolarHBondContact O-N 3.46Å |
| 366 | V | 98.2 | Very high | 96.4 | Very high | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -56.3 | -47.6 | 174.3 | -178.4 | 0 | 0 | 0 | 0 | 111 | A354 E357 E358 R362 F363 S368 I369 Y370 F391 | A354-V366 HydrophobicContact CB-CG1 4.03Å; A354-V366 WeakPolarHBondContact O-CG2 3.4Å; E357-V366 HydrophobicContact CB-CG2 3.67Å; E358-V366 HydrophobicContact CB-CG2 4.02Å; R362-V366 PolarHBondContact O-N 2.99Å; R362-V366 VanDerWaalsContact O-N 3.16Å; F363-V366 WeakPolarHBondContact O-CB 3.43Å; F363-V366 PolarHBondContact O-N 2.83Å; F363-V366 VanDerWaalsContact O-N 3.17Å; V366-S368 PolarHBondContact O-N 3Å; V366-I369 PolarHBondContact O-N 3.19Å; V366-Y370 HydrophobicContact CG1-CD2 3.81Å; V366-Y370 HydrophobicContact CG1-CE2 3.71Å; V366-Y370 WeakPolarHBondContact O-CD2 3.29Å; V366-Y370 PolarHBondContact O-N 3.48Å; V366-F391 HydrophobicContact CB-CE1 4.43Å; V366-F391 HydrophobicContact CB-CE2 3.93Å; V366-F391 HydrophobicContact CB-CZ 3.83Å; V366-F391 HydrophobicContact CG1-CD1 4.11Å; V366-F391 HydrophobicContact CG1-CD2 3.69Å; V366-F391 HydrophobicContact CG1-CE1 3.94Å; V366-F391 HydrophobicContact CG1-CE2 3.5Å; V366-F391 VanDerWaalsContact CG1-CE2 3.5Å; V366-F391 HydrophobicContact CG1-CG 3.99Å; V366-F391 HydrophobicContact CG1-CZ 3.62Å; V366-F391 HydrophobicContact CG2-CE2 4.26Å |
| 367 | Q | 97.7 | Very high | 96 | Very high | 48 Ų | 48 | 59.7 Ų | 59.7 | 22% | 0.224 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -61.2 | -42.8 | 175.8 | -69.6 | -175.7 | 5.9 | 0 | 0 | 112.1 | F363 D364 K365 I369 Y370 N371 Y388 F391 F392 | F363-Q367 PolarHBondContact O-N 3.23Å; D364-Q367 PolarHBondContact O-N 3.22Å; K365-Q367 VanDerWaalsContact C-N 3.33Å; K365-Q367 PolarHBondContact O-N 3.12Å; Q367-I369 VanDerWaalsContact C-N 3.29Å; Q367-I369 PolarHBondContact O-N 2.73Å; Q367-Y370 PolarHBondContact O-N 3.17Å; Q367-N371 WeakPolarHBondContact O-CB 3.36Å; Q367-N371 PolarHBondContact O-N 3.19Å; Q367-N371 PolarHBondContact O-ND2 2.66Å; Q367-Y388 HydrophobicContact CG-CE2 4.43Å; Q367-F391 HydrophobicContact CG-CE1 3.98Å; Q367-F391 HydrophobicContact CG-CZ 4.5Å; Q367-F392 HydrophobicContact CG-CE2 4.22Å; Q367-F392 HydrophobicContact CG-CZ 4.16Å |
| 368 | S | 97.4 | Very high | 95.6 | Very high | 48 Ų | 48 | 62.8 Ų | 62.8 | 34% | 0.336 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -58.7 | -39.4 | 175.1 | 177.9 | 0 | 0 | 0 | 0 | 112.5 | D364 K365 V366 R372 | D364-S368 PolarHBondContact O-N 3.43Å; K365-S368 WeakPolarHBondContact O-CB 3.49Å; K365-S368 PolarHBondContact O-N 3.04Å; K365-S368 VanDerWaalsContact O-N 3.15Å; V366-S368 PolarHBondContact O-N 3Å; S368-R372 VanDerWaalsContact O-CB 3.24Å; S368-R372 WeakPolarHBondContact O-CB 3.42Å; S368-R372 PolarHBondContact O-N 2.92Å |
| 369 | I | 96.8 | Very high | 95.3 | Very high | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -66.3 | -48.1 | 178.2 | -65.9 | 159.3 | 0 | 0 | 0 | 110.9 | H350 Y353 A354 E357 K365 V366 Q367 R372 L373 | H350-I369 HydrophobicContact CB-CG2 4.16Å; H350-I369 WeakPolarHBondContact O-CG2 3.3Å; Y353-I369 HydrophobicContact CD1-CD1 3.32Å; Y353-I369 HydrophobicContact CD1-CG1 3.67Å; Y353-I369 HydrophobicContact CD1-CG2 4.41Å; Y353-I369 HydrophobicContact CD2-CD1 4.14Å; Y353-I369 HydrophobicContact CE1-CD1 3.49Å; Y353-I369 VanDerWaalsContact CE1-CD1 3.49Å; Y353-I369 HydrophobicContact CE1-CG1 3.76Å; Y353-I369 HydrophobicContact CE2-CD1 4.26Å; Y353-I369 HydrophobicContact CG-CD1 3.65Å; Y353-I369 HydrophobicContact CG-CG1 4.43Å; A354-I369 HydrophobicContact CB-CG2 4.25Å; E357-I369 HydrophobicContact CB-CD1 4.42Å; E357-I369 HydrophobicContact CG-CD1 3.85Å; K365-I369 HydrophobicContact CG-CD1 4.2Å; K365-I369 VanDerWaalsContact O-CG1 3.29Å; K365-I369 WeakPolarHBondContact O-CG1 3.3Å; K365-I369 PolarHBondContact O-N 3.46Å; V366-I369 PolarHBondContact O-N 3.19Å; Q367-I369 VanDerWaalsContact C-N 3.29Å; Q367-I369 PolarHBondContact O-N 2.73Å; I369-R372 PolarHBondContact O-N 2.99Å; I369-L373 PolarHBondContact O-N 3.33Å |
| 370 | Y | 97.5 | Very high | 95.3 | Very high | 2 Ų | 2 | 59.5 Ų | 59.5 | 1% | 0.008 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -64.4 | -44.3 | 177.3 | -81.7 | -69.8 | 0 | 0 | 0 | 112.2 | F351 A354 V366 Q367 R372 L373 L374 Q387 Y388 F391 | F351-Y370 AromaticContact CD1-CE1 4Å; F351-Y370 HydrophobicContact CD1-CE1 4Å; F351-Y370 AromaticContact CE1-CE1 3.95Å; F351-Y370 HydrophobicContact CE1-CE1 3.95Å; A354-Y370 HydrophobicContact CB-CD2 4.29Å; A354-Y370 HydrophobicContact CB-CE2 3.66Å; V366-Y370 HydrophobicContact CG1-CD2 3.81Å; V366-Y370 HydrophobicContact CG1-CE2 3.71Å; V366-Y370 WeakPolarHBondContact O-CD2 3.29Å; V366-Y370 PolarHBondContact O-N 3.48Å; Q367-Y370 PolarHBondContact O-N 3.17Å; Y370-R372 VanDerWaalsContact C-N 3.35Å; Y370-R372 PolarHBondContact O-N 3.2Å; Y370-L373 WeakPolarHBondContact O-CB 3.29Å; Y370-L373 PolarHBondContact O-N 3.44Å; Y370-L373 VanDerWaalsContact O-N 3.17Å; Y370-L374 VanDerWaalsContact O-CG 3.25Å; Y370-L374 WeakPolarHBondContact O-CG 3.39Å; Y370-L374 PolarHBondContact O-N 2.9Å; Y370-Q387 HydrophobicContact CE1-CB 3.91Å; Y370-Q387 WeakPolarHBondContact OH-CB 3.44Å; Y370-Y388 HydrophobicContact CD1-CD2 4.08Å; Y370-Y388 HydrophobicContact CD1-CG 4.06Å; Y370-Y388 AromaticContact CD2-CD2 3.44Å; Y370-Y388 HydrophobicContact CD2-CD2 3.44Å; Y370-Y388 VanDerWaalsContact CD2-CD2 3.44Å; Y370-Y388 AromaticContact CD2-CE2 3.79Å; Y370-Y388 HydrophobicContact CD2-CE2 3.79Å; Y370-Y388 HydrophobicContact CD2-CG 4.25Å; Y370-Y388 HydrophobicContact CE2-CD2 4.09Å; Y370-Y388 AromaticContact CG-CD2 3.44Å; Y370-Y388 HydrophobicContact CG-CD2 3.44Å; Y370-Y388 VanDerWaalsContact CG-CD2 3.44Å; Y370-Y388 AromaticContact CG-CE2 3.86Å; Y370-Y388 HydrophobicContact CG-CE2 3.86Å; Y370-Y388 AromaticContact CG-CG 3.83Å; Y370-Y388 HydrophobicContact CG-CG 3.83Å; Y370-F391 HydrophobicContact CE2-CB 4.19Å; Y370-F391 HydrophobicContact CE2-CG 4.36Å |
| 371 | N | 96.3 | Very high | 95.3 | Very high | 55 Ų | 55 | 56.8 Ų | 56.8 | 29% | 0.294 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -62.3 | -43.1 | 178.5 | -66.9 | -22 | 0 | 0 | 0 | 111.1 | Q367 L373 L374 E375 Y388 | Q367-N371 WeakPolarHBondContact O-CB 3.36Å; Q367-N371 PolarHBondContact O-N 3.19Å; Q367-N371 PolarHBondContact O-ND2 2.66Å; N371-L373 VanDerWaalsContact C-N 3.28Å; N371-L373 PolarHBondContact O-N 3.39Å; N371-L374 PolarHBondContact O-N 3.47Å; N371-L374 VanDerWaalsContact O-N 3.17Å; N371-E375 WeakPolarHBondContact O-CB 3.35Å; N371-E375 VanDerWaalsContact O-CG 3.3Å; N371-E375 WeakPolarHBondContact O-CG 3.49Å; N371-E375 PolarHBondContact O-N 3.26Å; N371-Y388 PolarHBondContact OD1-OH 2.81Å |
| 372 | R | 94.5 | Very high | 95.4 | Very high | 84 Ų | 84 | 50.7 Ų | 50.7 | 32% | 0.317 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -57.2 | -41.6 | 173.8 | -178 | -172.8 | -62.7 | 177.7 | 0.9 | 112.2 | E336 S368 I369 Y370 | E336-R372 IonicContact OE1-NH1 3.01Å; E336-R372 IonicContact OE1-NH2 3.91Å; E336-R372 IonicContact OE2-CZ 3.9Å; E336-R372 IonicContact OE2-NH1 2.71Å; E336-R372 PolarHBondContact OE2-NH1 3.3Å; E336-R372 IonicContact OE2-NH2 2.97Å; S368-R372 VanDerWaalsContact O-CB 3.24Å; S368-R372 WeakPolarHBondContact O-CB 3.42Å; S368-R372 PolarHBondContact O-N 2.92Å; I369-R372 PolarHBondContact O-N 2.99Å; Y370-R372 VanDerWaalsContact C-N 3.35Å; Y370-R372 PolarHBondContact O-N 3.2Å |
| 373 | L | 94.7 | Very high | 95.4 | Very high | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -66.3 | -43.6 | 177.4 | -176.5 | 62.3 | 0 | 0 | 0 | 111.5 | V347 H350 F351 I369 Y370 N371 N376 I379 A384 | V347-L373 HydrophobicContact CG1-CD2 4.23Å; V347-L373 HydrophobicContact CG2-CD1 4.39Å; H350-L373 HydrophobicContact CB-CD1 4.31Å; H350-L373 HydrophobicContact CB-CD2 3.84Å; H350-L373 HydrophobicContact CB-CG 4.47Å; F351-L373 HydrophobicContact CE1-CD2 3.94Å; I369-L373 PolarHBondContact O-N 3.33Å; Y370-L373 WeakPolarHBondContact O-CB 3.29Å; Y370-L373 PolarHBondContact O-N 3.44Å; Y370-L373 VanDerWaalsContact O-N 3.17Å; N371-L373 VanDerWaalsContact C-N 3.28Å; N371-L373 PolarHBondContact O-N 3.39Å; L373-N376 VanDerWaalsContact O-CB 3.31Å; L373-N376 WeakPolarHBondContact O-CB 3.35Å; L373-N376 PolarHBondContact O-N 2.99Å; L373-I379 HydrophobicContact CD1-CD1 3.5Å; L373-I379 VanDerWaalsContact CD1-CD1 3.5Å; L373-I379 HydrophobicContact CG-CD1 3.66Å; L373-I379 WeakPolarHBondContact O-CD1 3.43Å; L373-A384 HydrophobicContact CD2-CB 3.6Å; L373-A384 HydrophobicContact CG-CB 4.14Å |
| 374 | L | 95.5 | Very high | 95.5 | Very high | 16 Ų | 16 | 47.2 Ų | 47.2 | 8% | 0.084 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -70.3 | -33.3 | -178.1 | -68.2 | 172.3 | 0 | 0 | 0 | 113.1 | Y370 N371 N376 P381 A384 Y385 Y388 R413 | Y370-L374 VanDerWaalsContact O-CG 3.25Å; Y370-L374 WeakPolarHBondContact O-CG 3.39Å; Y370-L374 PolarHBondContact O-N 2.9Å; N371-L374 PolarHBondContact O-N 3.47Å; N371-L374 VanDerWaalsContact O-N 3.17Å; L374-N376 PolarHBondContact O-N 2.92Å; L374-P381 HydrophobicContact CD2-CB 3.76Å; L374-A384 HydrophobicContact CD2-CB 3.75Å; L374-Y385 HydrophobicContact CD1-CD1 4Å; L374-Y385 HydrophobicContact CD1-CE1 3.59Å; L374-Y385 HydrophobicContact CD2-CD1 4.08Å; L374-Y385 HydrophobicContact CD2-CD2 3.67Å; L374-Y385 HydrophobicContact CD2-CE1 3.95Å; L374-Y385 HydrophobicContact CD2-CE2 3.53Å; L374-Y385 HydrophobicContact CD2-CG 3.95Å; L374-Y385 HydrophobicContact CG-CE1 4.38Å; L374-Y388 HydrophobicContact CD1-CD1 3.83Å; L374-Y388 HydrophobicContact CD1-CE1 4.02Å; L374-R413 PolarHBondContact O-NH2 2.94Å |
| 375 | E | 93.9 | Very high | 95.5 | Very high | 159 Ų | 159 | 42.4 Ų | 42.4 | 74% | 0.743 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | -18.5 | 173.7 | -75.4 | 168.8 | -168.9 | 0 | 0 | 112.9 | N371 S377 | N371-E375 WeakPolarHBondContact O-CB 3.35Å; N371-E375 VanDerWaalsContact O-CG 3.3Å; N371-E375 WeakPolarHBondContact O-CG 3.49Å; N371-E375 PolarHBondContact O-N 3.26Å; E375-S377 PolarHBondContact O-N 2.77Å |
| 376 | N | 91.6 | Very high | 95.6 | Very high | 31 Ų | 31 | 40.1 Ų | 40.1 | 17% | 0.166 | 22% | 0.221 | C | C | . | . | trans | -74.9 | 111.6 | 178.3 | -172.4 | -6.9 | 0 | 0 | 0 | 111.1 | K344 N345 L373 L374 A378 I379 R413 | K344-N376 VanDerWaalsContact C-ND2 3.32Å; K344-N376 PolarHBondContact O-ND2 3.01Å; N345-N376 PolarHBondContact OD1-ND2 2.89Å; L373-N376 VanDerWaalsContact O-CB 3.31Å; L373-N376 WeakPolarHBondContact O-CB 3.35Å; L373-N376 PolarHBondContact O-N 2.99Å; L374-N376 PolarHBondContact O-N 2.92Å; N376-A378 PolarHBondContact O-N 3Å; N376-A378 WeakPolarHBondContact OD1-CB 2.98Å; N376-A378 PolarHBondContact OD1-N 2.95Å; N376-I379 HydrophobicContact CB-CG1 4.37Å; N376-I379 WeakPolarHBondContact O-CG1 3.25Å; N376-R413 PolarHBondContact O-NH1 3.47Å | ||
| 377 | S | 89.8 | Confident | 95.6 | Very high | 104 Ų | 104 | 42 Ų | 42 | 73% | 0.727 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.2 | -16.4 | 179.5 | 58.4 | 0 | 0 | 0 | 0 | 114.4 | E375 I379 | E375-S377 PolarHBondContact O-N 2.77Å; S377-I379 VanDerWaalsContact C-N 3.35Å; S377-I379 PolarHBondContact O-N 3.12Å |
| 378 | A | 89.1 | Confident | 95.6 | Very high | 66 Ų | 66 | 39.9 Ų | 39.9 | 55% | 0.545 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.9 | -2.8 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | N345 N376 | N345-A378 WeakPolarHBondContact ND2-CB 3.31Å; N376-A378 PolarHBondContact O-N 3Å; N376-A378 WeakPolarHBondContact OD1-CB 2.98Å; N376-A378 PolarHBondContact OD1-N 2.95Å |
| 379 | I | 92 | Very high | 95.7 | Very high | 19 Ų | 19 | 37.7 Ų | 37.7 | 10% | 0.097 | 20% | 0.204 | C | C | . | . | S | Bend | trans | -114 | 157.5 | 179.7 | 65.5 | 151.9 | 0 | 0 | 0 | 112 | N345 V347 L373 N376 S377 P381 | N345-I379 HydrophobicContact CB-CG2 3.66Å; V347-I379 HydrophobicContact CG2-CD1 4.27Å; L373-I379 HydrophobicContact CD1-CD1 3.5Å; L373-I379 VanDerWaalsContact CD1-CD1 3.5Å; L373-I379 HydrophobicContact CG-CD1 3.66Å; L373-I379 WeakPolarHBondContact O-CD1 3.43Å; N376-I379 HydrophobicContact CB-CG1 4.37Å; N376-I379 WeakPolarHBondContact O-CG1 3.25Å; S377-I379 VanDerWaalsContact C-N 3.35Å; S377-I379 PolarHBondContact O-N 3.12Å; I379-P381 WeakPolarHBondContact O-CD 3.47Å |
| 380 | D | 94.2 | Very high | 95.7 | Very high | 86 Ų | 86 | 42.8 Ų | 42.8 | 46% | 0.46 | 22% | 0.223 | S | C | . | . | trans | -75.1 | 114.4 | 160 | 176.6 | -1.6 | 0 | 0 | 0 | 108.9 | T382 | D380-T382 PolarHBondContact O-N 2.88Å; D380-T382 WeakPolarHBondContact OD1-CB 3.41Å; D380-T382 PolarHBondContact OD1-N 2.94Å; D380-T382 PolarHBondContact OD1-OG1 3Å | ||
| 381 | P | 96.5 | Very high | 95.8 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 22% | 0.222 | C | C | . | . | trans | -78.6 | -5.3 | -176.7 | 35.2 | -37.3 | 0 | 0 | 0 | 113.1 | L374 I379 L383 A384 Y385 R413 | L374-P381 HydrophobicContact CD2-CB 3.76Å; I379-P381 WeakPolarHBondContact O-CD 3.47Å; P381-L383 PolarHBondContact O-N 3.06Å; P381-A384 WeakPolarHBondContact O-CA 3.31Å; P381-A384 WeakPolarHBondContact O-CB 3.2Å; P381-A384 PolarHBondContact O-N 3.4Å; P381-Y385 HydrophobicContact CB-CD2 3.84Å; P381-Y385 HydrophobicContact CB-CE2 3.75Å; P381-Y385 HydrophobicContact CG-CD2 4.35Å; P381-Y385 HydrophobicContact CG-CE2 4.16Å; P381-Y385 VanDerWaalsContact O-CD2 3.31Å; P381-Y385 WeakPolarHBondContact O-CD2 3.33Å; P381-Y385 PolarHBondContact O-N 3.41Å; P381-R413 HydrophobicContact CG-CB 3.74Å | ||
| 382 | T | 98 | Very high | 95.8 | Very high | 4 Ų | 4 | 40.9 Ų | 40.9 | 3% | 0.025 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -55.4 | -53.3 | -172.1 | -54 | 0 | 0 | 0 | 0 | 112 | D380 A384 Y385 I386 T415 Q417 V418 | D380-T382 PolarHBondContact O-N 2.88Å; D380-T382 WeakPolarHBondContact OD1-CB 3.41Å; D380-T382 PolarHBondContact OD1-N 2.94Å; D380-T382 PolarHBondContact OD1-OG1 3Å; T382-A384 VanDerWaalsContact C-N 3.28Å; T382-A384 PolarHBondContact O-N 3.48Å; T382-Y385 PolarHBondContact O-N 2.68Å; T382-I386 HydrophobicContact CG2-CD1 4.22Å; T382-I386 WeakPolarHBondContact O-CG1 3.39Å; T382-I386 PolarHBondContact O-N 3.14Å; T382-T415 WeakPolarHBondContact CB-OG1 3.21Å; T382-T415 WeakPolarHBondContact CG2-OG1 3.25Å; T382-T415 PolarHBondContact OG1-N 2.95Å; T382-T415 PolarHBondContact OG1-OG1 3.5Å; T382-Q417 HydrophobicContact CG2-CB 4.01Å; T382-V418 HydrophobicContact CG2-CB 4.14Å |
| 383 | L | 98.1 | Very high | 96 | Very high | 86 Ų | 86 | 41 Ų | 41 | 45% | 0.45 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -66.2 | -34.2 | 179.7 | -175.7 | 60.1 | 0 | 0 | 0 | 111.6 | V347 F351 P381 I386 Q387 | V347-L383 HydrophobicContact CG1-CD2 4.47Å; F351-L383 HydrophobicContact CE2-CD2 3.85Å; F351-L383 HydrophobicContact CE2-CG 3.79Å; F351-L383 HydrophobicContact CZ-CD2 4.33Å; F351-L383 HydrophobicContact CZ-CG 3.88Å; P381-L383 PolarHBondContact O-N 3.06Å; L383-I386 PolarHBondContact O-N 3.33Å; L383-Q387 PolarHBondContact O-N 3.36Å |
| 384 | A | 97.9 | Very high | 96.1 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -62.9 | -46.7 | 176 | 0 | 0 | 0 | 0 | 0 | 111.4 | F351 L373 L374 P381 T382 I386 Q387 Y388 | F351-A384 HydrophobicContact CE1-CB 4.4Å; L373-A384 HydrophobicContact CD2-CB 3.6Å; L373-A384 HydrophobicContact CG-CB 4.14Å; L374-A384 HydrophobicContact CD2-CB 3.75Å; P381-A384 WeakPolarHBondContact O-CA 3.31Å; P381-A384 WeakPolarHBondContact O-CB 3.2Å; P381-A384 PolarHBondContact O-N 3.4Å; T382-A384 VanDerWaalsContact C-N 3.28Å; T382-A384 PolarHBondContact O-N 3.48Å; A384-I386 VanDerWaalsContact C-N 3.33Å; A384-I386 PolarHBondContact O-N 3.47Å; A384-Q387 PolarHBondContact O-N 2.79Å; A384-Y388 VanDerWaalsContact O-CB 3.24Å; A384-Y388 WeakPolarHBondContact O-CB 3.42Å; A384-Y388 PolarHBondContact O-N 3.41Å |
| 385 | Y | 98.6 | Very high | 96 | Very high | 20 Ų | 20 | 49.6 Ų | 49.6 | 8% | 0.078 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -62.2 | -38.2 | 173.9 | -80.1 | -66.3 | 0 | 0 | 0 | 112.6 | L374 P381 T382 Y388 M389 V404 K407 A408 D411 C414 | L374-Y385 HydrophobicContact CD1-CD1 4Å; L374-Y385 HydrophobicContact CD1-CE1 3.59Å; L374-Y385 HydrophobicContact CD2-CD1 4.08Å; L374-Y385 HydrophobicContact CD2-CD2 3.67Å; L374-Y385 HydrophobicContact CD2-CE1 3.95Å; L374-Y385 HydrophobicContact CD2-CE2 3.53Å; L374-Y385 HydrophobicContact CD2-CG 3.95Å; L374-Y385 HydrophobicContact CG-CE1 4.38Å; P381-Y385 HydrophobicContact CB-CD2 3.84Å; P381-Y385 HydrophobicContact CB-CE2 3.75Å; P381-Y385 HydrophobicContact CG-CD2 4.35Å; P381-Y385 HydrophobicContact CG-CE2 4.16Å; P381-Y385 VanDerWaalsContact O-CD2 3.31Å; P381-Y385 WeakPolarHBondContact O-CD2 3.33Å; P381-Y385 PolarHBondContact O-N 3.41Å; T382-Y385 PolarHBondContact O-N 2.68Å; Y385-Y388 PolarHBondContact O-N 3.01Å; Y385-M389 WeakPolarHBondContact O-CB 3.26Å; Y385-M389 WeakPolarHBondContact O-CG 3.23Å; Y385-M389 PolarHBondContact O-N 3.35Å; Y385-V404 HydrophobicContact CD1-CG1 3.97Å; Y385-K407 HydrophobicContact CE1-CB 4.03Å; Y385-A408 HydrophobicContact CD1-CB 3.63Å; Y385-A408 HydrophobicContact CD2-CB 3.87Å; Y385-A408 HydrophobicContact CE1-CB 4.1Å; Y385-A408 HydrophobicContact CE2-CB 4.3Å; Y385-A408 HydrophobicContact CG-CB 3.51Å; Y385-D411 HydrophobicContact CE2-CB 3.91Å; Y385-C414 WeakPolarHBondContact CD2-SG 3.25Å; Y385-C414 WeakPolarHBondContact CE2-SG 3.2Å |
| 386 | I | 98.7 | Very high | 96.1 | Very high | 15 Ų | 15 | 46.7 Ų | 46.7 | 8% | 0.077 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -61 | -48.6 | 176.2 | -68.4 | 169.1 | 0 | 0 | 0 | 111.3 | T382 L383 A384 Y388 M389 R390 Q417 V418 A421 | T382-I386 HydrophobicContact CG2-CD1 4.22Å; T382-I386 WeakPolarHBondContact O-CG1 3.39Å; T382-I386 PolarHBondContact O-N 3.14Å; L383-I386 PolarHBondContact O-N 3.33Å; A384-I386 VanDerWaalsContact C-N 3.33Å; A384-I386 PolarHBondContact O-N 3.47Å; I386-Y388 VanDerWaalsContact C-N 3.3Å; I386-Y388 PolarHBondContact O-N 2.96Å; I386-M389 HydrophobicContact CB-CE 4.49Å; I386-M389 HydrophobicContact CG1-CE 4.16Å; I386-M389 PolarHBondContact O-N 3.21Å; I386-R390 WeakPolarHBondContact O-CG 3.49Å; I386-R390 PolarHBondContact O-N 2.68Å; I386-R390 VanDerWaalsContact O-N 3.12Å; I386-Q417 HydrophobicContact CD1-CB 4.08Å; I386-V418 HydrophobicContact CG1-CB 4.34Å; I386-V418 HydrophobicContact CG1-CG2 4.19Å; I386-A421 HydrophobicContact CD1-CB 4.1Å; I386-A421 HydrophobicContact CG1-CB 3.87Å; I386-A421 HydrophobicContact CG2-CB 4.05Å |
| 387 | Q | 98.5 | Very high | 96.2 | Very high | 40 Ų | 40 | 46.7 Ų | 46.7 | 19% | 0.187 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -67 | -35.7 | 177.3 | -60.7 | -53.5 | -19.3 | 0 | 0 | 111.7 | F351 Y370 L383 A384 M389 R390 F391 | F351-Q387 HydrophobicContact CD1-CB 4.29Å; F351-Q387 HydrophobicContact CD1-CG 4.23Å; F351-Q387 HydrophobicContact CD2-CG 3.99Å; F351-Q387 HydrophobicContact CE1-CB 3.95Å; F351-Q387 HydrophobicContact CE1-CG 3.85Å; F351-Q387 HydrophobicContact CE2-CG 3.56Å; F351-Q387 HydrophobicContact CG-CG 4.3Å; F351-Q387 HydrophobicContact CZ-CB 4.06Å; F351-Q387 HydrophobicContact CZ-CG 3.48Å; F351-Q387 VanDerWaalsContact CZ-CG 3.48Å; Y370-Q387 HydrophobicContact CE1-CB 3.91Å; Y370-Q387 WeakPolarHBondContact OH-CB 3.44Å; L383-Q387 PolarHBondContact O-N 3.36Å; A384-Q387 PolarHBondContact O-N 2.79Å; Q387-M389 PolarHBondContact O-N 3.02Å; Q387-R390 WeakPolarHBondContact O-CB 3.35Å; Q387-R390 PolarHBondContact O-N 3.15Å; Q387-R390 VanDerWaalsContact O-N 3.11Å; Q387-R390 VanDerWaalsContact OE1-CD 3.27Å; Q387-F391 PolarHBondContact O-N 3.49Å |
| 388 | Y | 98.4 | Very high | 96.5 | Very high | 3 Ų | 3 | 43.4 Ų | 43.4 | 1% | 0.012 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -66.4 | -39 | 177.7 | -164.4 | -156.3 | 0 | 0 | 0 | 112.7 | Q367 Y370 N371 L374 A384 Y385 I386 R390 F391 F392 V404 | Q367-Y388 HydrophobicContact CG-CE2 4.43Å; Y370-Y388 HydrophobicContact CD1-CD2 4.08Å; Y370-Y388 HydrophobicContact CD1-CG 4.06Å; Y370-Y388 AromaticContact CD2-CD2 3.44Å; Y370-Y388 HydrophobicContact CD2-CD2 3.44Å; Y370-Y388 VanDerWaalsContact CD2-CD2 3.44Å; Y370-Y388 AromaticContact CD2-CE2 3.79Å; Y370-Y388 HydrophobicContact CD2-CE2 3.79Å; Y370-Y388 HydrophobicContact CD2-CG 4.25Å; Y370-Y388 HydrophobicContact CE2-CD2 4.09Å; Y370-Y388 AromaticContact CG-CD2 3.44Å; Y370-Y388 HydrophobicContact CG-CD2 3.44Å; Y370-Y388 VanDerWaalsContact CG-CD2 3.44Å; Y370-Y388 AromaticContact CG-CE2 3.86Å; Y370-Y388 HydrophobicContact CG-CE2 3.86Å; Y370-Y388 AromaticContact CG-CG 3.83Å; Y370-Y388 HydrophobicContact CG-CG 3.83Å; N371-Y388 PolarHBondContact OD1-OH 2.81Å; L374-Y388 HydrophobicContact CD1-CD1 3.83Å; L374-Y388 HydrophobicContact CD1-CE1 4.02Å; A384-Y388 VanDerWaalsContact O-CB 3.24Å; A384-Y388 WeakPolarHBondContact O-CB 3.42Å; A384-Y388 PolarHBondContact O-N 3.41Å; Y385-Y388 PolarHBondContact O-N 3.01Å; I386-Y388 VanDerWaalsContact C-N 3.3Å; I386-Y388 PolarHBondContact O-N 2.96Å; Y388-R390 VanDerWaalsContact C-N 3.31Å; Y388-R390 PolarHBondContact O-N 3.47Å; Y388-F391 AromaticContact CD2-CD1 3.87Å; Y388-F391 HydrophobicContact CD2-CD1 3.87Å; Y388-F391 AromaticContact CE2-CD1 3.95Å; Y388-F391 HydrophobicContact CE2-CD1 3.95Å; Y388-F391 HydrophobicContact CE2-CE1 4.28Å; Y388-F391 PolarHBondContact O-N 3.08Å; Y388-F392 AromaticContact CD2-CD2 3.74Å; Y388-F392 HydrophobicContact CD2-CD2 3.74Å; Y388-F392 AromaticContact CD2-CE2 3.91Å; Y388-F392 HydrophobicContact CD2-CE2 3.91Å; Y388-F392 HydrophobicContact CE1-CE2 4.24Å; Y388-F392 AromaticContact CE2-CD2 3.55Å; Y388-F392 HydrophobicContact CE2-CD2 3.55Å; Y388-F392 AromaticContact CE2-CE2 3.22Å; Y388-F392 HydrophobicContact CE2-CE2 3.22Å; Y388-F392 HydrophobicContact CE2-CZ 4.44Å; Y388-F392 HydrophobicContact CG-CD2 4.39Å; Y388-F392 AromaticContact CZ-CE2 3.42Å; Y388-F392 VanDerWaalsContact CZ-CE2 3.42Å; Y388-F392 PolarHBondContact O-N 3.31Å; Y388-V404 HydrophobicContact CD1-CB 4.48Å; Y388-V404 HydrophobicContact CD1-CG1 3.56Å; Y388-V404 HydrophobicContact CD1-CG2 4.05Å; Y388-V404 HydrophobicContact CE1-CG1 4.43Å; Y388-V404 HydrophobicContact CE1-CG2 4.31Å; Y388-V404 HydrophobicContact CG-CG1 3.92Å; Y388-V404 HydrophobicContact CG-CG2 4.27Å |
| 389 | M | 98.5 | Very high | 96.9 | Very high | 1 Ų | 1 | 44.9 Ų | 44.9 | 1% | 0.005 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -59.8 | -42.5 | 169.8 | -74.7 | -170.5 | -61.5 | 0 | 0 | 111.1 | Y385 I386 Q387 F392 R393 V404 F405 V418 A421 A422 M425 | Y385-M389 WeakPolarHBondContact O-CB 3.26Å; Y385-M389 WeakPolarHBondContact O-CG 3.23Å; Y385-M389 PolarHBondContact O-N 3.35Å; I386-M389 HydrophobicContact CB-CE 4.49Å; I386-M389 HydrophobicContact CG1-CE 4.16Å; I386-M389 PolarHBondContact O-N 3.21Å; Q387-M389 PolarHBondContact O-N 3.02Å; M389-F392 PolarHBondContact O-N 3.49Å; M389-R393 VanDerWaalsContact O-CB 3.24Å; M389-R393 WeakPolarHBondContact O-CB 3.34Å; M389-R393 PolarHBondContact O-N 2.96Å; M389-V404 HydrophobicContact CB-CG1 4.47Å; M389-V404 HydrophobicContact CG-CB 3.84Å; M389-V404 HydrophobicContact CG-CG1 3.64Å; M389-F405 HydrophobicContact SD-CB 3.69Å; M389-F405 HydrophobicContact SD-CD2 4.08Å; M389-F405 HydrophobicContact SD-CG 4.26Å; M389-V418 HydrophobicContact CE-CG2 3.62Å; M389-V418 HydrophobicContact SD-CG2 4.42Å; M389-A421 HydrophobicContact CE-CB 4.17Å; M389-A422 HydrophobicContact CE-CB 4.33Å; M389-A422 HydrophobicContact SD-CB 4.07Å; M389-M425 HydrophobicContact CB-CE 3.96Å; M389-M425 HydrophobicContact CB-SD 4.35Å |
| 390 | R | 98.1 | Very high | 97.1 | Very high | 107 Ų | 107 | 44.1 Ų | 44.1 | 40% | 0.404 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -64.8 | -41.5 | 178.9 | -70.1 | 167.1 | 176.5 | -170.6 | -1.6 | 112 | I386 Q387 Y388 R393 R394 M425 | I386-R390 WeakPolarHBondContact O-CG 3.49Å; I386-R390 PolarHBondContact O-N 2.68Å; I386-R390 VanDerWaalsContact O-N 3.12Å; Q387-R390 WeakPolarHBondContact O-CB 3.35Å; Q387-R390 PolarHBondContact O-N 3.15Å; Q387-R390 VanDerWaalsContact O-N 3.11Å; Q387-R390 VanDerWaalsContact OE1-CD 3.27Å; Y388-R390 VanDerWaalsContact C-N 3.31Å; Y388-R390 PolarHBondContact O-N 3.47Å; R390-R393 PolarHBondContact O-N 2.9Å; R390-R394 WeakPolarHBondContact O-CG 3.44Å; R390-R394 PolarHBondContact O-N 3.28Å; R390-M425 HydrophobicContact CB-CE 4.46Å; R390-M425 HydrophobicContact CG-CE 3.72Å |
| 391 | F | 98.1 | Very high | 97.2 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -59.1 | -54.8 | 173.1 | 162.8 | -106.7 | 0 | 0 | 0 | 111.4 | E358 F363 V366 Q367 Y370 Q387 Y388 R393 R394 R395 | E358-F391 HydrophobicContact CG-CD2 4.31Å; E358-F391 HydrophobicContact CG-CE2 4.25Å; E358-F391 WeakPolarHBondContact OE2-CD2 3.23Å; F363-F391 HydrophobicContact CB-CZ 4.35Å; F363-F391 HydrophobicContact CD1-CE2 4.05Å; F363-F391 HydrophobicContact CD1-CZ 4.32Å; V366-F391 HydrophobicContact CB-CE1 4.43Å; V366-F391 HydrophobicContact CB-CE2 3.93Å; V366-F391 HydrophobicContact CB-CZ 3.83Å; V366-F391 HydrophobicContact CG1-CD1 4.11Å; V366-F391 HydrophobicContact CG1-CD2 3.69Å; V366-F391 HydrophobicContact CG1-CE1 3.94Å; V366-F391 HydrophobicContact CG1-CE2 3.5Å; V366-F391 VanDerWaalsContact CG1-CE2 3.5Å; V366-F391 HydrophobicContact CG1-CG 3.99Å; V366-F391 HydrophobicContact CG1-CZ 3.62Å; V366-F391 HydrophobicContact CG2-CE2 4.26Å; Q367-F391 HydrophobicContact CG-CE1 3.98Å; Q367-F391 HydrophobicContact CG-CZ 4.5Å; Y370-F391 HydrophobicContact CE2-CB 4.19Å; Y370-F391 HydrophobicContact CE2-CG 4.36Å; Q387-F391 PolarHBondContact O-N 3.49Å; Y388-F391 AromaticContact CD2-CD1 3.87Å; Y388-F391 HydrophobicContact CD2-CD1 3.87Å; Y388-F391 AromaticContact CE2-CD1 3.95Å; Y388-F391 HydrophobicContact CE2-CD1 3.95Å; Y388-F391 HydrophobicContact CE2-CE1 4.28Å; Y388-F391 PolarHBondContact O-N 3.08Å; F391-R393 VanDerWaalsContact C-N 3.27Å; F391-R393 PolarHBondContact O-N 3.25Å; F391-R394 WeakPolarHBondContact O-CB 3.38Å; F391-R394 PolarHBondContact O-N 3.08Å; F391-R395 PolarHBondContact O-N 3.5Å |
| 392 | F | 97.9 | Very high | 97.3 | Very high | 18 Ų | 18 | 45.3 Ų | 45.3 | 8% | 0.079 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -62.6 | -35 | 179.8 | -97 | -83.9 | 0 | 0 | 0 | 112.7 | Q367 Y388 M389 R394 R395 E396 G397 V404 | Q367-F392 HydrophobicContact CG-CE2 4.22Å; Q367-F392 HydrophobicContact CG-CZ 4.16Å; Y388-F392 AromaticContact CD2-CD2 3.74Å; Y388-F392 HydrophobicContact CD2-CD2 3.74Å; Y388-F392 AromaticContact CD2-CE2 3.91Å; Y388-F392 HydrophobicContact CD2-CE2 3.91Å; Y388-F392 HydrophobicContact CE1-CE2 4.24Å; Y388-F392 AromaticContact CE2-CD2 3.55Å; Y388-F392 HydrophobicContact CE2-CD2 3.55Å; Y388-F392 AromaticContact CE2-CE2 3.22Å; Y388-F392 HydrophobicContact CE2-CE2 3.22Å; Y388-F392 HydrophobicContact CE2-CZ 4.44Å; Y388-F392 HydrophobicContact CG-CD2 4.39Å; Y388-F392 AromaticContact CZ-CE2 3.42Å; Y388-F392 VanDerWaalsContact CZ-CE2 3.42Å; Y388-F392 PolarHBondContact O-N 3.31Å; M389-F392 PolarHBondContact O-N 3.49Å; F392-R394 VanDerWaalsContact C-N 3.34Å; F392-R394 PolarHBondContact O-N 3.46Å; F392-R395 PolarHBondContact O-N 3.27Å; F392-E396 HydrophobicContact CD1-CG 4.37Å; F392-E396 VanDerWaalsContact CD1-OE2 3.29Å; F392-E396 WeakPolarHBondContact CD1-OE2 3.36Å; F392-E396 WeakPolarHBondContact CE1-OE1 3.35Å; F392-E396 VanDerWaalsContact CE1-OE2 3.3Å; F392-E396 WeakPolarHBondContact CE1-OE2 3.39Å; F392-E396 PolarHBondContact O-N 3.48Å; F392-G397 PolarHBondContact O-N 3.46Å; F392-V404 HydrophobicContact CB-CG2 3.98Å; F392-V404 HydrophobicContact CD2-CG2 3.34Å; F392-V404 HydrophobicContact CE2-CG2 3.89Å; F392-V404 HydrophobicContact CG-CG2 3.72Å |
| 393 | R | 97.5 | Very high | 97.2 | Very high | 87 Ų | 87 | 48.7 Ų | 48.7 | 33% | 0.328 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -60.6 | -42.3 | 171.8 | -171.2 | -156.2 | 57.7 | 73 | -0.6 | 112.1 | M389 R390 F391 G397 A401 M425 | M389-R393 VanDerWaalsContact O-CB 3.24Å; M389-R393 WeakPolarHBondContact O-CB 3.34Å; M389-R393 PolarHBondContact O-N 2.96Å; R390-R393 PolarHBondContact O-N 2.9Å; F391-R393 VanDerWaalsContact C-N 3.27Å; F391-R393 PolarHBondContact O-N 3.25Å; R393-G397 WeakPolarHBondContact CA-O 3.22Å; R393-G397 VanDerWaalsContact O-CA 3.23Å; R393-G397 WeakPolarHBondContact O-CA 3.45Å; R393-G397 PolarHBondContact O-N 2.92Å; R393-G397 VanDerWaalsContact O-N 3.15Å; R393-A401 HydrophobicContact CB-CB 4.01Å; R393-M425 HydrophobicContact CB-SD 3.87Å; R393-M425 HydrophobicContact CG-CG 4.33Å; R393-M425 HydrophobicContact CG-SD 3.96Å |
| 394 | R | 96.2 | Very high | 97.2 | Very high | 107 Ų | 107 | 44.7 Ų | 44.7 | 40% | 0.404 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -66.2 | -39.5 | 177.6 | -73.9 | -172 | -60.8 | -100.5 | 5.1 | 111.8 | E358 R390 F391 F392 | E358-R394 IonicContact OE1-CZ 3.21Å; E358-R394 IonicContact OE1-NE 2.79Å; E358-R394 PolarHBondContact OE1-NE 3.24Å; E358-R394 IonicContact OE1-NH2 3.55Å; E358-R394 PolarHBondContact OE1-NH2 2.98Å; E358-R394 IonicContact OE2-CZ 3.47Å; E358-R394 IonicContact OE2-NE 3.37Å; E358-R394 IonicContact OE2-NH2 2.85Å; E358-R394 PolarHBondContact OE2-NH2 2.88Å; R390-R394 WeakPolarHBondContact O-CG 3.44Å; R390-R394 PolarHBondContact O-N 3.28Å; F391-R394 WeakPolarHBondContact O-CB 3.38Å; F391-R394 PolarHBondContact O-N 3.08Å; F392-R394 VanDerWaalsContact C-N 3.34Å; F392-R394 PolarHBondContact O-N 3.46Å |
| 395 | R | 94.8 | Very high | 97.3 | Very high | 88 Ų | 88 | 45.3 Ų | 45.3 | 33% | 0.332 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -82.9 | -47.8 | -174.8 | -170.1 | -168 | -177 | -175.3 | 3.7 | 114 | F363 F391 F392 | F363-R395 VanDerWaalsContact CB-NH2 3.26Å; F391-R395 PolarHBondContact O-N 3.5Å; F392-R395 PolarHBondContact O-N 3.27Å |
| 396 | E | 94.6 | Very high | 97.2 | Very high | 98 Ų | 98 | 49.9 Ų | 49.9 | 46% | 0.458 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -122.2 | 6.8 | -167 | -64.1 | 175 | -164.8 | 0 | 0 | 112.4 | F392 | F392-E396 HydrophobicContact CD1-CG 4.37Å; F392-E396 VanDerWaalsContact CD1-OE2 3.29Å; F392-E396 WeakPolarHBondContact CD1-OE2 3.36Å; F392-E396 WeakPolarHBondContact CE1-OE1 3.35Å; F392-E396 VanDerWaalsContact CE1-OE2 3.3Å; F392-E396 WeakPolarHBondContact CE1-OE2 3.39Å; F392-E396 PolarHBondContact O-N 3.48Å |
| 397 | G | 95.6 | Very high | 97.2 | Very high | 31 Ų | 31 | 53.6 Ų | 53.6 | 32% | 0.32 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | 71.2 | -163.8 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | F392 R393 V399 G400 A401 | F392-G397 PolarHBondContact O-N 3.46Å; R393-G397 WeakPolarHBondContact CA-O 3.22Å; R393-G397 VanDerWaalsContact O-CA 3.23Å; R393-G397 WeakPolarHBondContact O-CA 3.45Å; R393-G397 PolarHBondContact O-N 2.92Å; R393-G397 VanDerWaalsContact O-N 3.15Å; G397-V399 VanDerWaalsContact C-N 3.25Å; G397-V399 PolarHBondContact O-N 2.9Å; G397-G400 PolarHBondContact O-N 3.01Å; G397-A401 PolarHBondContact O-N 2.72Å |
| 398 | I | 96.1 | Very high | 97.2 | Very high | 36 Ų | 36 | 51.7 Ų | 51.7 | 19% | 0.185 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -64 | -29 | -170.9 | -166.6 | 60.3 | 0 | 0 | 0 | 113.2 | A401 R402 M425 C429 T430 | I398-A401 HydrophobicContact CD1-CB 4.42Å; I398-A401 PolarHBondContact O-N 2.75Å; I398-R402 WeakPolarHBondContact O-CG 3.48Å; I398-R402 PolarHBondContact O-N 3.26Å; I398-M425 HydrophobicContact CD1-CG 4.21Å; I398-C429 HydrophobicContact CB-CB 4.42Å; I398-C429 HydrophobicContact CD1-CB 4.05Å; I398-C429 HydrophobicContact CG1-CB 4.38Å; I398-T430 HydrophobicContact CG1-CG2 4.48Å |
| 399 | V | 96 | Very high | 97.1 | Very high | 97 Ų | 97 | 56.1 Ų | 56.1 | 59% | 0.588 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -64.5 | -44.4 | 179.1 | 179.4 | 0 | 0 | 0 | 0 | 110.9 | G397 A401 R402 T403 | G397-V399 VanDerWaalsContact C-N 3.25Å; G397-V399 PolarHBondContact O-N 2.9Å; V399-A401 VanDerWaalsContact C-N 3.32Å; V399-A401 PolarHBondContact O-N 3.34Å; V399-R402 PolarHBondContact O-N 3.02Å; V399-T403 PolarHBondContact O-N 3.2Å; V399-T403 VanDerWaalsContact O-N 3.15Å; V399-T403 PolarHBondContact O-OG1 3.02Å |
| 400 | G | 96.2 | Very high | 97 | Very high | 2 Ų | 2 | 62.1 Ų | 62.1 | 2% | 0.021 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -59.8 | -43.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | G397 R402 T403 V404 | G397-G400 PolarHBondContact O-N 3.01Å; G400-R402 PolarHBondContact O-N 3.43Å; G400-T403 WeakPolarHBondContact O-CB 3.3Å; G400-T403 PolarHBondContact O-N 2.94Å; G400-V404 PolarHBondContact O-N 3.15Å |
| 401 | A | 97.4 | Very high | 97 | Very high | 3 Ų | 3 | 58.1 Ų | 58.1 | 3% | 0.025 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -61.6 | -41.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | R393 G397 I398 V399 T403 V404 F405 M425 | R393-A401 HydrophobicContact CB-CB 4.01Å; G397-A401 PolarHBondContact O-N 2.72Å; I398-A401 HydrophobicContact CD1-CB 4.42Å; I398-A401 PolarHBondContact O-N 2.75Å; V399-A401 VanDerWaalsContact C-N 3.32Å; V399-A401 PolarHBondContact O-N 3.34Å; A401-T403 VanDerWaalsContact C-N 3.32Å; A401-T403 PolarHBondContact O-N 3.34Å; A401-V404 PolarHBondContact O-N 3Å; A401-F405 PolarHBondContact O-N 3.49Å; A401-M425 HydrophobicContact CB-SD 3.59Å; A401-M425 VanDerWaalsContact CB-SD 3.59Å |
| 402 | R | 97.6 | Very high | 96.8 | Very high | 108 Ų | 108 | 64.3 Ų | 64.3 | 41% | 0.408 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -62.8 | -36.2 | 176.2 | -71.4 | 171.9 | -179.7 | 171.4 | 0.3 | 112.4 | I398 V399 G400 F405 K406 E426 | I398-R402 WeakPolarHBondContact O-CG 3.48Å; I398-R402 PolarHBondContact O-N 3.26Å; V399-R402 PolarHBondContact O-N 3.02Å; G400-R402 PolarHBondContact O-N 3.43Å; R402-F405 PolarHBondContact O-N 2.99Å; R402-K406 PolarHBondContact O-N 3.37Å; R402-E426 IonicContact CZ-OE1 2.63Å; R402-E426 IonicContact CZ-OE2 3.13Å; R402-E426 IonicContact NE-OE1 3.79Å; R402-E426 IonicContact NE-OE2 3.78Å; R402-E426 PolarHBondContact NE-OE2 3.28Å; R402-E426 IonicContact NH2-OE1 3.44Å; R402-E426 PolarHBondContact NH2-OE1 3.14Å; R402-E426 IonicContact NH2-OE2 3.44Å; R402-E426 PolarHBondContact NH2-OE2 3.07Å |
| 403 | T | 97.4 | Very high | 96.7 | Very high | 75 Ų | 75 | 67.2 Ų | 67.2 | 46% | 0.46 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -62.6 | -43.3 | 174.8 | -62.2 | 0 | 0 | 0 | 0 | 111.6 | V399 G400 A401 K406 K407 | V399-T403 PolarHBondContact O-N 3.2Å; V399-T403 VanDerWaalsContact O-N 3.15Å; V399-T403 PolarHBondContact O-OG1 3.02Å; G400-T403 WeakPolarHBondContact O-CB 3.3Å; G400-T403 PolarHBondContact O-N 2.94Å; A401-T403 VanDerWaalsContact C-N 3.32Å; A401-T403 PolarHBondContact O-N 3.34Å; T403-K406 PolarHBondContact O-N 3.46Å; T403-K407 PolarHBondContact O-N 2.74Å |
| 404 | V | 98.1 | Very high | 96.7 | Very high | 2 Ų | 2 | 63.2 Ų | 63.2 | 1% | 0.012 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -67 | -41.9 | 175.2 | 178.8 | 0 | 0 | 0 | 0 | 111.1 | Y385 Y388 M389 F392 G400 A401 K406 K407 A408 | Y385-V404 HydrophobicContact CD1-CG1 3.97Å; Y388-V404 HydrophobicContact CD1-CB 4.48Å; Y388-V404 HydrophobicContact CD1-CG1 3.56Å; Y388-V404 HydrophobicContact CD1-CG2 4.05Å; Y388-V404 HydrophobicContact CE1-CG1 4.43Å; Y388-V404 HydrophobicContact CE1-CG2 4.31Å; Y388-V404 HydrophobicContact CG-CG1 3.92Å; Y388-V404 HydrophobicContact CG-CG2 4.27Å; M389-V404 HydrophobicContact CB-CG1 4.47Å; M389-V404 HydrophobicContact CG-CB 3.84Å; M389-V404 HydrophobicContact CG-CG1 3.64Å; F392-V404 HydrophobicContact CB-CG2 3.98Å; F392-V404 HydrophobicContact CD2-CG2 3.34Å; F392-V404 HydrophobicContact CE2-CG2 3.89Å; F392-V404 HydrophobicContact CG-CG2 3.72Å; G400-V404 PolarHBondContact O-N 3.15Å; A401-V404 PolarHBondContact O-N 3Å; V404-K406 VanDerWaalsContact C-N 3.29Å; V404-K406 PolarHBondContact O-N 3.43Å; V404-K407 WeakPolarHBondContact O-CB 3.5Å; V404-K407 PolarHBondContact O-N 2.63Å; V404-K407 VanDerWaalsContact O-N 3.15Å; V404-A408 PolarHBondContact O-N 3.5Å |
| 405 | F | 98.3 | Very high | 96.7 | Very high | 14 Ų | 14 | 60.2 Ų | 60.2 | 6% | 0.061 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -59.6 | -40.3 | 176.2 | -179.1 | -127.1 | 0 | 0 | 0 | 111.9 | M389 A401 R402 K407 A408 R409 V418 Y419 A422 I439 | M389-F405 HydrophobicContact SD-CB 3.69Å; M389-F405 HydrophobicContact SD-CD2 4.08Å; M389-F405 HydrophobicContact SD-CG 4.26Å; A401-F405 PolarHBondContact O-N 3.49Å; R402-F405 PolarHBondContact O-N 2.99Å; F405-K407 VanDerWaalsContact C-N 3.35Å; F405-K407 PolarHBondContact O-N 3.17Å; F405-A408 WeakPolarHBondContact O-CB 3.4Å; F405-A408 PolarHBondContact O-N 3.29Å; F405-A408 VanDerWaalsContact O-N 3.17Å; F405-R409 HydrophobicContact CD2-CG 4.28Å; F405-R409 HydrophobicContact CE1-CG 4.25Å; F405-R409 HydrophobicContact CE2-CG 3.87Å; F405-R409 HydrophobicContact CZ-CG 3.86Å; F405-R409 WeakPolarHBondContact O-CG 3.36Å; F405-R409 PolarHBondContact O-N 3.04Å; F405-V418 HydrophobicContact CD2-CG2 4.42Å; F405-V418 HydrophobicContact CE2-CG1 4.48Å; F405-Y419 HydrophobicContact CE2-CD1 4.06Å; F405-Y419 HydrophobicContact CE2-CD2 4.47Å; F405-Y419 HydrophobicContact CE2-CE1 4.37Å; F405-Y419 HydrophobicContact CE2-CG 4.1Å; F405-Y419 AromaticContact CZ-CD1 3.64Å; F405-Y419 HydrophobicContact CZ-CD1 3.64Å; F405-Y419 AromaticContact CZ-CE1 3.95Å; F405-Y419 HydrophobicContact CZ-CE1 3.95Å; F405-Y419 HydrophobicContact CZ-CG 4.11Å; F405-A422 HydrophobicContact CD1-CB 4.14Å; F405-A422 HydrophobicContact CD2-CB 3.57Å; F405-A422 HydrophobicContact CE1-CB 4.21Å; F405-A422 HydrophobicContact CE2-CB 3.66Å; F405-A422 HydrophobicContact CG-CB 3.82Å; F405-A422 HydrophobicContact CZ-CB 3.98Å; F405-I439 HydrophobicContact CE1-CD1 4.5Å; F405-I439 HydrophobicContact CE1-CG1 4.25Å; F405-I439 HydrophobicContact CE1-CG2 4.18Å; F405-I439 HydrophobicContact CZ-CG2 3.86Å |
| 406 | K | 98.2 | Very high | 96.9 | Very high | 116 Ų | 116 | 58.6 Ų | 58.6 | 50% | 0.504 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -55.8 | -49.5 | 174.1 | -175.7 | -178.1 | 173.8 | -174.4 | 0 | 111.2 | R402 T403 V404 A408 R409 E410 | R402-K406 PolarHBondContact O-N 3.37Å; T403-K406 PolarHBondContact O-N 3.46Å; V404-K406 VanDerWaalsContact C-N 3.29Å; V404-K406 PolarHBondContact O-N 3.43Å; K406-A408 VanDerWaalsContact C-N 3.32Å; K406-A408 PolarHBondContact O-N 3.17Å; K406-R409 PolarHBondContact O-N 2.88Å; K406-E410 VanDerWaalsContact CE-OE1 3.27Å; K406-E410 WeakPolarHBondContact CE-OE1 3.43Å; K406-E410 PolarHBondContact O-N 3.31Å |
| 407 | K | 97.9 | Very high | 97.1 | Very high | 92 Ų | 92 | 57.5 Ų | 57.5 | 40% | 0.4 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -59.2 | -42 | 175.8 | -65.6 | 179.4 | 177.2 | -176.8 | 0 | 112.2 | Y385 T403 V404 F405 R409 E410 D411 | Y385-K407 HydrophobicContact CE1-CB 4.03Å; T403-K407 PolarHBondContact O-N 2.74Å; V404-K407 WeakPolarHBondContact O-CB 3.5Å; V404-K407 PolarHBondContact O-N 2.63Å; V404-K407 VanDerWaalsContact O-N 3.15Å; F405-K407 VanDerWaalsContact C-N 3.35Å; F405-K407 PolarHBondContact O-N 3.17Å; K407-R409 VanDerWaalsContact C-N 3.28Å; K407-R409 PolarHBondContact O-N 3.36Å; K407-E410 PolarHBondContact O-N 2.89Å; K407-D411 PolarHBondContact O-N 2.85Å |
| 408 | A | 98 | Very high | 97.2 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -62.9 | -33.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113 | Y385 V404 F405 K406 E410 D411 C414 V418 | Y385-A408 HydrophobicContact CD1-CB 3.63Å; Y385-A408 HydrophobicContact CD2-CB 3.87Å; Y385-A408 HydrophobicContact CE1-CB 4.1Å; Y385-A408 HydrophobicContact CE2-CB 4.3Å; Y385-A408 HydrophobicContact CG-CB 3.51Å; V404-A408 PolarHBondContact O-N 3.5Å; F405-A408 WeakPolarHBondContact O-CB 3.4Å; F405-A408 PolarHBondContact O-N 3.29Å; F405-A408 VanDerWaalsContact O-N 3.17Å; K406-A408 VanDerWaalsContact C-N 3.32Å; K406-A408 PolarHBondContact O-N 3.17Å; A408-E410 VanDerWaalsContact C-N 3.34Å; A408-D411 PolarHBondContact O-N 2.7Å; A408-C414 WeakPolarHBondContact O-CB 3.43Å; A408-C414 PolarHBondContact O-SG 3.04Å; A408-V418 HydrophobicContact CB-CG1 4.47Å; A408-V418 HydrophobicContact CB-CG2 3.8Å |
| 409 | R | 97.3 | Very high | 97.3 | Very high | 96 Ų | 96 | 54.7 Ų | 54.7 | 36% | 0.362 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -71 | -31.1 | 176.8 | -66.2 | -173.3 | -62 | -178.5 | 2.6 | 113 | F405 K406 K407 Y419 K446 | F405-R409 HydrophobicContact CD2-CG 4.28Å; F405-R409 HydrophobicContact CE1-CG 4.25Å; F405-R409 HydrophobicContact CE2-CG 3.87Å; F405-R409 HydrophobicContact CZ-CG 3.86Å; F405-R409 WeakPolarHBondContact O-CG 3.36Å; F405-R409 PolarHBondContact O-N 3.04Å; K406-R409 PolarHBondContact O-N 2.88Å; K407-R409 VanDerWaalsContact C-N 3.28Å; K407-R409 PolarHBondContact O-N 3.36Å; R409-Y419 HydrophobicContact CG-CE1 3.99Å; R409-Y419 WeakPolarHBondContact CG-OH 3.45Å; R409-K446 PolarHBondContact O-NZ 2.88Å |
| 410 | E | 96.5 | Very high | 97.4 | Very high | 128 Ų | 128 | 50.7 Ų | 50.7 | 60% | 0.598 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -74.5 | -26.9 | 177.9 | -68 | 165.1 | -176.8 | 0 | 0 | 111.7 | K406 K407 A408 T412 | K406-E410 VanDerWaalsContact CE-OE1 3.27Å; K406-E410 WeakPolarHBondContact CE-OE1 3.43Å; K406-E410 PolarHBondContact O-N 3.31Å; K407-E410 PolarHBondContact O-N 2.89Å; A408-E410 VanDerWaalsContact C-N 3.34Å; E410-T412 PolarHBondContact O-N 3.39Å |
| 411 | D | 96.6 | Very high | 97.5 | Very high | 23 Ų | 23 | 51.4 Ų | 51.4 | 12% | 0.123 | 24% | 0.244 | C | C | . | . | trans | -79.1 | 112.7 | 172.6 | -167.2 | -24.7 | 0 | 0 | 0 | 111.2 | Y385 K407 A408 R413 C414 | Y385-D411 HydrophobicContact CE2-CB 3.91Å; K407-D411 PolarHBondContact O-N 2.85Å; A408-D411 PolarHBondContact O-N 2.7Å; D411-R413 PolarHBondContact O-N 3.46Å; D411-R413 VanDerWaalsContact OD1-CB 3.28Å; D411-R413 WeakPolarHBondContact OD1-CB 3.38Å; D411-R413 WeakPolarHBondContact OD1-CG 2.98Å; D411-R413 IonicContact OD1-CZ 3.63Å; D411-R413 PolarHBondContact OD1-N 2.9Å; D411-R413 IonicContact OD1-NE 3.54Å; D411-R413 PolarHBondContact OD1-NE 2.76Å; D411-R413 IonicContact OD1-NH2 3.62Å; D411-R413 IonicContact OD2-CZ 3.86Å; D411-R413 IonicContact OD2-NE 3.49Å; D411-R413 PolarHBondContact OD2-NE 3.21Å; D411-R413 IonicContact OD2-NH2 3.69Å; D411-R413 PolarHBondContact OD2-NH2 3.05Å; D411-C414 WeakPolarHBondContact O-CB 3.4Å; D411-C414 PolarHBondContact O-N 2.71Å | ||
| 412 | T | 95.4 | Very high | 97.5 | Very high | 129 Ų | 129 | 51.6 Ų | 51.6 | 79% | 0.791 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.4 | -16.8 | -178.1 | 54.6 | 0 | 0 | 0 | 0 | 113.7 | E410 C414 | E410-T412 PolarHBondContact O-N 3.39Å; T412-C414 VanDerWaalsContact C-N 3.3Å |
| 413 | R | 96.1 | Very high | 97.5 | Very high | 80 Ų | 80 | 46.5 Ų | 46.5 | 30% | 0.302 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.9 | -17 | 177.3 | -56.1 | 173.6 | -66.1 | 165.2 | -5.7 | 112.6 | L374 N376 P381 D411 | L374-R413 PolarHBondContact O-NH2 2.94Å; N376-R413 PolarHBondContact O-NH1 3.47Å; P381-R413 HydrophobicContact CG-CB 3.74Å; D411-R413 PolarHBondContact O-N 3.46Å; D411-R413 VanDerWaalsContact OD1-CB 3.28Å; D411-R413 WeakPolarHBondContact OD1-CB 3.38Å; D411-R413 WeakPolarHBondContact OD1-CG 2.98Å; D411-R413 IonicContact OD1-CZ 3.63Å; D411-R413 PolarHBondContact OD1-N 2.9Å; D411-R413 IonicContact OD1-NE 3.54Å; D411-R413 PolarHBondContact OD1-NE 2.76Å; D411-R413 IonicContact OD1-NH2 3.62Å; D411-R413 IonicContact OD2-CZ 3.86Å; D411-R413 IonicContact OD2-NE 3.49Å; D411-R413 PolarHBondContact OD2-NE 3.21Å; D411-R413 IonicContact OD2-NH2 3.69Å; D411-R413 PolarHBondContact OD2-NH2 3.05Å |
| 414 | C | 96.9 | Very high | 97.5 | Very high | 3 Ų | 3 | 48.5 Ų | 48.5 | 2% | 0.02 | 23% | 0.231 | C | C | . | . | trans | -67.3 | 135.1 | -179.5 | -72.4 | 0 | 0 | 0 | 0 | 112.1 | Y385 A408 D411 T412 V418 F447 | Y385-C414 WeakPolarHBondContact CD2-SG 3.25Å; Y385-C414 WeakPolarHBondContact CE2-SG 3.2Å; A408-C414 WeakPolarHBondContact O-CB 3.43Å; A408-C414 PolarHBondContact O-SG 3.04Å; D411-C414 WeakPolarHBondContact O-CB 3.4Å; D411-C414 PolarHBondContact O-N 2.71Å; T412-C414 VanDerWaalsContact C-N 3.3Å; C414-V418 HydrophobicContact CB-CG1 4.22Å; C414-F447 WeakPolarHBondContact O-CZ 3.47Å | ||
| 415 | T | 96.8 | Very high | 97.4 | Very high | 43 Ų | 43 | 49.4 Ų | 49.4 | 26% | 0.264 | 24% | 0.236 | S | C | . | . | trans | -96.3 | 169.8 | 175.8 | 58.3 | 0 | 0 | 0 | 0 | 111.3 | T382 Q417 V418 | T382-T415 WeakPolarHBondContact CB-OG1 3.21Å; T382-T415 WeakPolarHBondContact CG2-OG1 3.25Å; T382-T415 PolarHBondContact OG1-N 2.95Å; T382-T415 PolarHBondContact OG1-OG1 3.5Å; T415-Q417 PolarHBondContact O-N 3.3Å; T415-Q417 VanDerWaalsContact O-N 3.08Å; T415-Q417 PolarHBondContact OG1-OE1 3.13Å; T415-V418 WeakPolarHBondContact O-CG1 3.35Å; T415-V418 PolarHBondContact O-N 3.44Å | ||
| 416 | W | 97.5 | Very high | 97.3 | Very high | 54 Ų | 54 | 49 Ų | 49 | 21% | 0.205 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -25 | -169.8 | 60.8 | -92.1 | 0 | 0 | 0 | 115.3 | V418 Y419 V420 F447 V450 E452 V453 | W416-V418 PolarHBondContact O-N 3.05Å; W416-V418 VanDerWaalsContact O-N 3.12Å; W416-Y419 WeakPolarHBondContact O-CB 3.45Å; W416-Y419 PolarHBondContact O-N 2.87Å; W416-V420 HydrophobicContact CE3-CB 4.43Å; W416-V420 HydrophobicContact CE3-CG2 3.58Å; W416-V420 HydrophobicContact CZ3-CB 4.39Å; W416-V420 HydrophobicContact CZ3-CG2 3.76Å; W416-V420 PolarHBondContact O-N 3.37Å; W416-F447 HydrophobicContact CB-CB 4.39Å; W416-F447 HydrophobicContact CB-CD2 3.58Å; W416-F447 HydrophobicContact CB-CE2 3.89Å; W416-F447 HydrophobicContact CB-CG 3.92Å; W416-F447 HydrophobicContact CB-CZ 4.49Å; W416-V450 HydrophobicContact CG-CG1 4.28Å; W416-E452 HydrophobicContact CH2-CB 3.7Å; W416-E452 HydrophobicContact CZ2-CB 3.42Å; W416-E452 VanDerWaalsContact CZ2-CB 3.42Å; W416-E452 HydrophobicContact CZ2-CG 4.06Å; W416-E452 HydrophobicContact CZ3-CB 4.4Å; W416-V453 HydrophobicContact CB-CG2 3.27Å; W416-V453 HydrophobicContact CD2-CG2 3.72Å; W416-V453 HydrophobicContact CE3-CG2 4.01Å; W416-V453 HydrophobicContact CG-CG2 3.4Å |
| 417 | Q | 98.3 | Very high | 97.2 | Very high | 75 Ų | 75 | 45.5 Ų | 45.5 | 35% | 0.35 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -58.7 | -29.4 | -176.8 | -64.8 | 86.5 | -35.9 | 0 | 0 | 111.7 | T382 I386 T415 Y419 V420 A421 | T382-Q417 HydrophobicContact CG2-CB 4.01Å; I386-Q417 HydrophobicContact CD1-CB 4.08Å; T415-Q417 PolarHBondContact O-N 3.3Å; T415-Q417 VanDerWaalsContact O-N 3.08Å; T415-Q417 PolarHBondContact OG1-OE1 3.13Å; Q417-Y419 VanDerWaalsContact C-N 3.32Å; Q417-Y419 PolarHBondContact O-N 3.01Å; Q417-V420 PolarHBondContact O-N 3.43Å; Q417-A421 WeakPolarHBondContact O-CB 3.46Å; Q417-A421 PolarHBondContact O-N 3.2Å |
| 418 | V | 98.3 | Very high | 97 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -66 | -35.1 | 176.5 | 76.9 | 0 | 0 | 0 | 0 | 112.3 | T382 I386 M389 F405 A408 C414 T415 W416 A422 | T382-V418 HydrophobicContact CG2-CB 4.14Å; I386-V418 HydrophobicContact CG1-CB 4.34Å; I386-V418 HydrophobicContact CG1-CG2 4.19Å; M389-V418 HydrophobicContact CE-CG2 3.62Å; M389-V418 HydrophobicContact SD-CG2 4.42Å; F405-V418 HydrophobicContact CD2-CG2 4.42Å; F405-V418 HydrophobicContact CE2-CG1 4.48Å; A408-V418 HydrophobicContact CB-CG1 4.47Å; A408-V418 HydrophobicContact CB-CG2 3.8Å; C414-V418 HydrophobicContact CB-CG1 4.22Å; T415-V418 WeakPolarHBondContact O-CG1 3.35Å; T415-V418 PolarHBondContact O-N 3.44Å; W416-V418 PolarHBondContact O-N 3.05Å; W416-V418 VanDerWaalsContact O-N 3.12Å; V418-A422 VanDerWaalsContact O-CB 3.3Å; V418-A422 WeakPolarHBondContact O-CB 3.22Å; V418-A422 PolarHBondContact O-N 3.49Å |
| 419 | Y | 98.4 | Very high | 96.9 | Very high | 9 Ų | 9 | 48 Ų | 48 | 4% | 0.035 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -71.3 | -43.2 | 177.5 | -68.5 | -107.2 | 0 | 0 | 0 | 110.9 | F405 R409 W416 Q417 A422 A423 I439 L442 A443 K446 F447 | F405-Y419 HydrophobicContact CE2-CD1 4.06Å; F405-Y419 HydrophobicContact CE2-CD2 4.47Å; F405-Y419 HydrophobicContact CE2-CE1 4.37Å; F405-Y419 HydrophobicContact CE2-CG 4.1Å; F405-Y419 AromaticContact CZ-CD1 3.64Å; F405-Y419 HydrophobicContact CZ-CD1 3.64Å; F405-Y419 AromaticContact CZ-CE1 3.95Å; F405-Y419 HydrophobicContact CZ-CE1 3.95Å; F405-Y419 HydrophobicContact CZ-CG 4.11Å; R409-Y419 HydrophobicContact CG-CE1 3.99Å; R409-Y419 WeakPolarHBondContact CG-OH 3.45Å; W416-Y419 WeakPolarHBondContact O-CB 3.45Å; W416-Y419 PolarHBondContact O-N 2.87Å; Q417-Y419 VanDerWaalsContact C-N 3.32Å; Q417-Y419 PolarHBondContact O-N 3.01Å; Y419-A422 PolarHBondContact O-N 3.42Å; Y419-A423 WeakPolarHBondContact O-CB 3.27Å; Y419-A423 PolarHBondContact O-N 2.93Å; Y419-I439 HydrophobicContact CD1-CG2 4.41Å; Y419-I439 VanDerWaalsContact O-CG2 3.29Å; Y419-I439 WeakPolarHBondContact O-CG2 3.19Å; Y419-L442 HydrophobicContact CD1-CB 4.44Å; Y419-L442 HydrophobicContact CE1-CB 4.29Å; Y419-A443 HydrophobicContact CD1-CB 3.98Å; Y419-A443 HydrophobicContact CG-CB 3.88Å; Y419-K446 HydrophobicContact CE2-CD 4.12Å; Y419-K446 WeakPolarHBondContact OH-CD 3.4Å; Y419-K446 PolarHBondContact OH-NZ 3.43Å; Y419-K446 VanDerWaalsContact OH-NZ 3.17Å; Y419-F447 AromaticContact CD2-CE2 3.88Å; Y419-F447 HydrophobicContact CD2-CE2 3.88Å; Y419-F447 AromaticContact CE2-CE2 3.68Å; Y419-F447 HydrophobicContact CE2-CE2 3.68Å; Y419-F447 HydrophobicContact CE2-CZ 4.34Å |
| 420 | V | 97.9 | Very high | 96.7 | Very high | 13 Ų | 13 | 45.4 Ų | 45.4 | 8% | 0.079 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -62.3 | -46.1 | 177 | 176.9 | 0 | 0 | 0 | 0 | 110.6 | W416 Q417 A422 A423 Q424 F440 A456 | W416-V420 HydrophobicContact CE3-CB 4.43Å; W416-V420 HydrophobicContact CE3-CG2 3.58Å; W416-V420 HydrophobicContact CZ3-CB 4.39Å; W416-V420 HydrophobicContact CZ3-CG2 3.76Å; W416-V420 PolarHBondContact O-N 3.37Å; Q417-V420 PolarHBondContact O-N 3.43Å; V420-A422 VanDerWaalsContact C-N 3.32Å; V420-A422 PolarHBondContact O-N 3.36Å; V420-A423 PolarHBondContact O-N 3.07Å; V420-Q424 HydrophobicContact CG1-CG 4.45Å; V420-Q424 WeakPolarHBondContact O-CB 3.49Å; V420-Q424 VanDerWaalsContact O-CG 3.3Å; V420-Q424 WeakPolarHBondContact O-CG 3.46Å; V420-Q424 PolarHBondContact O-N 3.11Å; V420-F440 HydrophobicContact CB-CE1 4.47Å; V420-F440 HydrophobicContact CG1-CE1 4.36Å; V420-F440 HydrophobicContact CG1-CZ 4.46Å; V420-F440 HydrophobicContact CG2-CE1 3.96Å; V420-A456 HydrophobicContact CG1-CB 4.07Å; V420-A456 HydrophobicContact CG2-CB 3.8Å |
| 421 | A | 98.2 | Very high | 96.4 | Very high | 16 Ų | 16 | 48 Ų | 48 | 13% | 0.132 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -61.2 | -40 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | I386 M389 Q417 M425 | I386-A421 HydrophobicContact CD1-CB 4.1Å; I386-A421 HydrophobicContact CG1-CB 3.87Å; I386-A421 HydrophobicContact CG2-CB 4.05Å; M389-A421 HydrophobicContact CE-CB 4.17Å; Q417-A421 WeakPolarHBondContact O-CB 3.46Å; Q417-A421 PolarHBondContact O-N 3.2Å; A421-M425 WeakPolarHBondContact O-CB 3.45Å; A421-M425 PolarHBondContact O-N 3.48Å |
| 422 | A | 98.1 | Very high | 96 | Very high | 8 Ų | 8 | 52.2 Ų | 52.2 | 7% | 0.066 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -66.1 | -44.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | M389 F405 V418 Y419 V420 M425 E426 I439 | M389-A422 HydrophobicContact CE-CB 4.33Å; M389-A422 HydrophobicContact SD-CB 4.07Å; F405-A422 HydrophobicContact CD1-CB 4.14Å; F405-A422 HydrophobicContact CD2-CB 3.57Å; F405-A422 HydrophobicContact CE1-CB 4.21Å; F405-A422 HydrophobicContact CE2-CB 3.66Å; F405-A422 HydrophobicContact CG-CB 3.82Å; F405-A422 HydrophobicContact CZ-CB 3.98Å; V418-A422 VanDerWaalsContact O-CB 3.3Å; V418-A422 WeakPolarHBondContact O-CB 3.22Å; V418-A422 PolarHBondContact O-N 3.49Å; Y419-A422 PolarHBondContact O-N 3.42Å; V420-A422 VanDerWaalsContact C-N 3.32Å; V420-A422 PolarHBondContact O-N 3.36Å; A422-M425 PolarHBondContact O-N 3.25Å; A422-E426 VanDerWaalsContact O-CB 3.27Å; A422-E426 WeakPolarHBondContact O-CB 3.33Å; A422-E426 PolarHBondContact O-N 3.14Å; A422-I439 HydrophobicContact CB-CG2 4.35Å |
| 423 | A | 97.7 | Very high | 95.8 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -64.1 | -43.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y419 V420 E426 L427 A436 I439 F440 | Y419-A423 WeakPolarHBondContact O-CB 3.27Å; Y419-A423 PolarHBondContact O-N 2.93Å; V420-A423 PolarHBondContact O-N 3.07Å; A423-E426 PolarHBondContact O-N 3.18Å; A423-L427 PolarHBondContact O-N 3.13Å; A423-A436 HydrophobicContact CB-CB 4.3Å; A423-A436 WeakPolarHBondContact O-CB 3.3Å; A423-I439 HydrophobicContact CB-CB 3.97Å; A423-I439 HydrophobicContact CB-CG2 3.83Å; A423-F440 HydrophobicContact CB-CD2 3.65Å; A423-F440 HydrophobicContact CB-CE2 3.36Å; A423-F440 HydrophobicContact CB-CG 4.33Å; A423-F440 HydrophobicContact CB-CZ 3.87Å |
| 424 | Q | 96.5 | Very high | 95.8 | Very high | 118 Ų | 118 | 48.2 Ų | 48.2 | 55% | 0.551 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -63.7 | -42.3 | 175.4 | -72.3 | 174.1 | -15.1 | 0 | 0 | 111.9 | V420 A428 | V420-Q424 HydrophobicContact CG1-CG 4.45Å; V420-Q424 WeakPolarHBondContact O-CB 3.49Å; V420-Q424 VanDerWaalsContact O-CG 3.3Å; V420-Q424 WeakPolarHBondContact O-CG 3.46Å; V420-Q424 PolarHBondContact O-N 3.11Å; Q424-A428 VanDerWaalsContact O-CB 3.28Å; Q424-A428 WeakPolarHBondContact O-CB 3.4Å; Q424-A428 PolarHBondContact O-N 3.21Å |
| 425 | M | 97.1 | Very high | 95.7 | Very high | 21 Ų | 21 | 50.4 Ų | 50.4 | 10% | 0.103 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -63.7 | -42.8 | 176.7 | -176.3 | 178.2 | -61.1 | 0 | 0 | 111.8 | M389 R390 R393 I398 A401 A421 A422 A428 C429 | M389-M425 HydrophobicContact CB-CE 3.96Å; M389-M425 HydrophobicContact CB-SD 4.35Å; R390-M425 HydrophobicContact CB-CE 4.46Å; R390-M425 HydrophobicContact CG-CE 3.72Å; R393-M425 HydrophobicContact CB-SD 3.87Å; R393-M425 HydrophobicContact CG-CG 4.33Å; R393-M425 HydrophobicContact CG-SD 3.96Å; I398-M425 HydrophobicContact CD1-CG 4.21Å; A401-M425 HydrophobicContact CB-SD 3.59Å; A401-M425 VanDerWaalsContact CB-SD 3.59Å; A421-M425 WeakPolarHBondContact O-CB 3.45Å; A421-M425 PolarHBondContact O-N 3.48Å; A422-M425 PolarHBondContact O-N 3.25Å; M425-A428 PolarHBondContact O-N 3.28Å; M425-C429 WeakPolarHBondContact O-CB 3.5Å; M425-C429 PolarHBondContact O-N 3.5Å; M425-C429 PolarHBondContact O-SG 3.17Å |
| 426 | E | 96.7 | Very high | 95.6 | Very high | 6 Ų | 6 | 48.3 Ų | 48.3 | 3% | 0.028 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -59.4 | -53.4 | 177 | -173.5 | 66 | -131.8 | 0 | 0 | 110.7 | R402 A422 A423 A428 C429 T430 V435 I439 | R402-E426 IonicContact CZ-OE1 2.63Å; R402-E426 IonicContact CZ-OE2 3.13Å; R402-E426 IonicContact NE-OE1 3.79Å; R402-E426 IonicContact NE-OE2 3.78Å; R402-E426 PolarHBondContact NE-OE2 3.28Å; R402-E426 IonicContact NH2-OE1 3.44Å; R402-E426 PolarHBondContact NH2-OE1 3.14Å; R402-E426 IonicContact NH2-OE2 3.44Å; R402-E426 PolarHBondContact NH2-OE2 3.07Å; A422-E426 VanDerWaalsContact O-CB 3.27Å; A422-E426 WeakPolarHBondContact O-CB 3.33Å; A422-E426 PolarHBondContact O-N 3.14Å; A423-E426 PolarHBondContact O-N 3.18Å; E426-A428 VanDerWaalsContact C-N 3.35Å; E426-A428 PolarHBondContact O-N 3.12Å; E426-C429 PolarHBondContact O-N 3.43Å; E426-T430 PolarHBondContact O-N 3.45Å; E426-T430 PolarHBondContact O-OG1 2.59Å; E426-T430 VanDerWaalsContact OE1-CG2 3.25Å; E426-T430 WeakPolarHBondContact OE1-CG2 3.44Å; E426-V435 HydrophobicContact CG-CB 3.8Å; E426-V435 HydrophobicContact CG-CG1 3.68Å; E426-I439 HydrophobicContact CB-CD1 4.17Å; E426-I439 HydrophobicContact CG-CD1 4.29Å |
| 427 | L | 95.1 | Very high | 95.5 | Very high | 42 Ų | 42 | 47.4 Ų | 47.4 | 22% | 0.22 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -58 | -45.9 | 177.3 | -179 | 71.3 | 0 | 0 | 0 | 111.8 | A423 C429 K431 A436 F460 L464 | A423-L427 PolarHBondContact O-N 3.13Å; L427-C429 VanDerWaalsContact C-N 3.28Å; L427-C429 PolarHBondContact O-N 3.46Å; L427-K431 VanDerWaalsContact O-CA 3.25Å; L427-K431 WeakPolarHBondContact O-CA 3.27Å; L427-K431 PolarHBondContact O-N 2.82Å; L427-A436 HydrophobicContact CB-CB 4.2Å; L427-F460 HydrophobicContact CB-CE2 4.36Å; L427-F460 HydrophobicContact CD1-CE2 4.39Å; L427-F460 HydrophobicContact CD2-CD2 4.16Å; L427-F460 HydrophobicContact CD2-CE2 3.82Å; L427-F460 HydrophobicContact CG-CE2 4.4Å; L427-L464 HydrophobicContact CD1-CD2 4.26Å; L427-L464 HydrophobicContact CD2-CD2 4.48Å |
| 428 | A | 94.5 | Very high | 95.5 | Very high | 83 Ų | 83 | 50.8 Ų | 50.8 | 69% | 0.686 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -64.8 | -31.7 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q424 M425 E426 | Q424-A428 VanDerWaalsContact O-CB 3.28Å; Q424-A428 WeakPolarHBondContact O-CB 3.4Å; Q424-A428 PolarHBondContact O-N 3.21Å; M425-A428 PolarHBondContact O-N 3.28Å; E426-A428 VanDerWaalsContact C-N 3.35Å; E426-A428 PolarHBondContact O-N 3.12Å |
| 429 | C | 94.4 | Very high | 95.4 | Very high | 60 Ų | 60 | 51.4 Ų | 51.4 | 41% | 0.405 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -89.2 | -37.2 | -178.4 | -72.6 | 0 | 0 | 0 | 0 | 113.8 | I398 M425 E426 L427 | I398-C429 HydrophobicContact CB-CB 4.42Å; I398-C429 HydrophobicContact CD1-CB 4.05Å; I398-C429 HydrophobicContact CG1-CB 4.38Å; M425-C429 WeakPolarHBondContact O-CB 3.5Å; M425-C429 PolarHBondContact O-N 3.5Å; M425-C429 PolarHBondContact O-SG 3.17Å; E426-C429 PolarHBondContact O-N 3.43Å; L427-C429 VanDerWaalsContact C-N 3.28Å; L427-C429 PolarHBondContact O-N 3.46Å |
| 430 | T | 93.1 | Very high | 95.4 | Very high | 42 Ų | 42 | 51 Ų | 51 | 26% | 0.258 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -103.5 | -19.8 | -173.9 | 64.7 | 0 | 0 | 0 | 0 | 113.5 | I398 E426 E432 | I398-T430 HydrophobicContact CG1-CG2 4.48Å; E426-T430 PolarHBondContact O-N 3.45Å; E426-T430 PolarHBondContact O-OG1 2.59Å; E426-T430 VanDerWaalsContact OE1-CG2 3.25Å; E426-T430 WeakPolarHBondContact OE1-CG2 3.44Å; T430-E432 PolarHBondContact O-N 3.2Å; T430-E432 VanDerWaalsContact O-N 3.15Å; T430-E432 PolarHBondContact OG1-N 3.18Å |
| 431 | K | 89.9 | Confident | 95.3 | Very high | 184 Ų | 184 | 53.5 Ų | 53.5 | 80% | 0.8 | 29% | 0.29 | S | S | * | . | trans | 61.9 | 4.8 | -169.1 | -51.4 | 177.3 | -178.5 | 177 | 0 | 114.1 | L427 | L427-K431 VanDerWaalsContact O-CA 3.25Å; L427-K431 WeakPolarHBondContact O-CA 3.27Å; L427-K431 PolarHBondContact O-N 2.82Å | ||
| 432 | E | 89.1 | Confident | 95.3 | Very high | 111 Ų | 111 | 56 Ų | 56 | 52% | 0.519 | 30% | 0.3 | S | S | . | . | trans | -92.5 | 118.6 | 179.4 | -66.3 | -59.1 | 147.4 | 0 | 0 | 110.1 | T430 T434 | T430-E432 PolarHBondContact O-N 3.2Å; T430-E432 VanDerWaalsContact O-N 3.15Å; T430-E432 PolarHBondContact OG1-N 3.18Å; E432-T434 VanDerWaalsContact C-N 3.35Å | ||
| 433 | S | 92 | Very high | 95.2 | Very high | 43 Ų | 43 | 55.6 Ų | 55.6 | 30% | 0.301 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -75.2 | -25 | -179.6 | 59.8 | 0 | 0 | 0 | 0 | 112.9 | V435 A436 T437 | S433-V435 PolarHBondContact O-N 3.43Å; S433-A436 PolarHBondContact O-N 3.42Å; S433-T437 WeakPolarHBondContact O-CB 3.4Å; S433-T437 PolarHBondContact O-N 2.81Å; S433-T437 PolarHBondContact O-OG1 3.37Å |
| 434 | T | 94.7 | Very high | 95.1 | Very high | 81 Ų | 81 | 56.8 Ų | 56.8 | 50% | 0.497 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -58.6 | -45.2 | -171.1 | 58.5 | 0 | 0 | 0 | 0 | 113.5 | E432 K438 | E432-T434 VanDerWaalsContact C-N 3.35Å; T434-K438 WeakPolarHBondContact O-CG 3.37Å; T434-K438 PolarHBondContact O-N 2.93Å |
| 435 | V | 94.6 | Very high | 95 | Very high | 49 Ų | 49 | 58.5 Ų | 58.5 | 30% | 0.297 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -72.5 | -41.4 | 179.6 | -175.9 | 0 | 0 | 0 | 0 | 110.7 | E426 S433 T437 K438 I439 | E426-V435 HydrophobicContact CG-CB 3.8Å; E426-V435 HydrophobicContact CG-CG1 3.68Å; S433-V435 PolarHBondContact O-N 3.43Å; V435-T437 VanDerWaalsContact C-N 3.35Å; V435-T437 PolarHBondContact O-N 2.98Å; V435-K438 WeakPolarHBondContact O-CB 3.01Å; V435-K438 PolarHBondContact O-N 2.91Å; V435-I439 HydrophobicContact CG1-CD1 4.22Å; V435-I439 WeakPolarHBondContact O-CG1 3.05Å; V435-I439 PolarHBondContact O-N 2.97Å |
| 436 | A | 95.5 | Very high | 94.9 | Very high | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -60.5 | -44 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | A423 L427 S433 K438 I439 F440 F460 | A423-A436 HydrophobicContact CB-CB 4.3Å; A423-A436 WeakPolarHBondContact O-CB 3.3Å; L427-A436 HydrophobicContact CB-CB 4.2Å; S433-A436 PolarHBondContact O-N 3.42Å; A436-K438 PolarHBondContact O-N 3.05Å; A436-I439 WeakPolarHBondContact O-CB 3.5Å; A436-I439 PolarHBondContact O-N 3.33Å; A436-I439 VanDerWaalsContact O-N 3.13Å; A436-F440 VanDerWaalsContact O-CD2 3.3Å; A436-F440 WeakPolarHBondContact O-CD2 3.36Å; A436-F440 PolarHBondContact O-N 3.44Å; A436-F460 HydrophobicContact CB-CE2 3.59Å; A436-F460 HydrophobicContact CB-CZ 3.54Å |
| 437 | T | 96.1 | Very high | 94.9 | Very high | 35 Ų | 35 | 62.7 Ų | 62.7 | 22% | 0.215 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -57.1 | -45.9 | 173 | -56 | 0 | 0 | 0 | 0 | 111.4 | S433 V435 I439 F440 E441 Y457 F460 | S433-T437 WeakPolarHBondContact O-CB 3.4Å; S433-T437 PolarHBondContact O-N 2.81Å; S433-T437 PolarHBondContact O-OG1 3.37Å; V435-T437 VanDerWaalsContact C-N 3.35Å; V435-T437 PolarHBondContact O-N 2.98Å; T437-I439 VanDerWaalsContact C-N 3.3Å; T437-I439 PolarHBondContact O-N 2.91Å; T437-F440 PolarHBondContact O-N 3.13Å; T437-F440 VanDerWaalsContact O-N 3.16Å; T437-E441 WeakPolarHBondContact O-CG 3.23Å; T437-E441 PolarHBondContact O-N 3.41Å; T437-Y457 HydrophobicContact CG2-CE2 4.22Å; T437-Y457 WeakPolarHBondContact CG2-OH 3.45Å; T437-F460 WeakPolarHBondContact OG1-CE1 3.4Å |
| 438 | K | 96.8 | Very high | 94.8 | Very high | 145 Ų | 145 | 62.6 Ų | 62.6 | 63% | 0.63 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -61 | -37.5 | 176.2 | -72.7 | 175.9 | -178.9 | -179.9 | 0 | 112.5 | T434 V435 A436 E441 L442 | T434-K438 WeakPolarHBondContact O-CG 3.37Å; T434-K438 PolarHBondContact O-N 2.93Å; V435-K438 WeakPolarHBondContact O-CB 3.01Å; V435-K438 PolarHBondContact O-N 2.91Å; A436-K438 PolarHBondContact O-N 3.05Å; K438-E441 PolarHBondContact O-N 3.05Å; K438-L442 WeakPolarHBondContact O-CG 3.18Å; K438-L442 PolarHBondContact O-N 3.33Å |
| 439 | I | 97.5 | Very high | 94.7 | Very high | 13 Ų | 13 | 62.4 Ų | 62.4 | 7% | 0.067 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -65.7 | -40.3 | 176.4 | -65.2 | 166 | 0 | 0 | 0 | 110.7 | F405 Y419 A422 A423 E426 V435 A436 T437 L442 A443 | F405-I439 HydrophobicContact CE1-CD1 4.5Å; F405-I439 HydrophobicContact CE1-CG1 4.25Å; F405-I439 HydrophobicContact CE1-CG2 4.18Å; F405-I439 HydrophobicContact CZ-CG2 3.86Å; Y419-I439 HydrophobicContact CD1-CG2 4.41Å; Y419-I439 VanDerWaalsContact O-CG2 3.29Å; Y419-I439 WeakPolarHBondContact O-CG2 3.19Å; A422-I439 HydrophobicContact CB-CG2 4.35Å; A423-I439 HydrophobicContact CB-CB 3.97Å; A423-I439 HydrophobicContact CB-CG2 3.83Å; E426-I439 HydrophobicContact CB-CD1 4.17Å; E426-I439 HydrophobicContact CG-CD1 4.29Å; V435-I439 HydrophobicContact CG1-CD1 4.22Å; V435-I439 WeakPolarHBondContact O-CG1 3.05Å; V435-I439 PolarHBondContact O-N 2.97Å; A436-I439 WeakPolarHBondContact O-CB 3.5Å; A436-I439 PolarHBondContact O-N 3.33Å; A436-I439 VanDerWaalsContact O-N 3.13Å; T437-I439 VanDerWaalsContact C-N 3.3Å; T437-I439 PolarHBondContact O-N 2.91Å; I439-L442 PolarHBondContact O-N 3.47Å; I439-A443 PolarHBondContact O-N 3.37Å |
| 440 | F | 97.5 | Very high | 94.6 | Very high | 1 Ų | 1 | 61.2 Ų | 61.2 | 0% | 0.004 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -66.2 | -41 | 174.8 | -82.4 | -69 | 0 | 0 | 0 | 113.2 | V420 A423 A436 T437 L442 A443 L444 A456 Y457 F460 | V420-F440 HydrophobicContact CB-CE1 4.47Å; V420-F440 HydrophobicContact CG1-CE1 4.36Å; V420-F440 HydrophobicContact CG1-CZ 4.46Å; V420-F440 HydrophobicContact CG2-CE1 3.96Å; A423-F440 HydrophobicContact CB-CD2 3.65Å; A423-F440 HydrophobicContact CB-CE2 3.36Å; A423-F440 HydrophobicContact CB-CG 4.33Å; A423-F440 HydrophobicContact CB-CZ 3.87Å; A436-F440 VanDerWaalsContact O-CD2 3.3Å; A436-F440 WeakPolarHBondContact O-CD2 3.36Å; A436-F440 PolarHBondContact O-N 3.44Å; T437-F440 PolarHBondContact O-N 3.13Å; T437-F440 VanDerWaalsContact O-N 3.16Å; F440-L442 VanDerWaalsContact C-N 3.31Å; F440-L442 PolarHBondContact O-N 3.07Å; F440-A443 WeakPolarHBondContact O-CB 3.48Å; F440-A443 PolarHBondContact O-N 2.99Å; F440-A443 VanDerWaalsContact O-N 3.11Å; F440-L444 PolarHBondContact O-N 3.49Å; F440-A456 HydrophobicContact CE1-CB 4.15Å; F440-Y457 HydrophobicContact CB-CD1 3.94Å; F440-Y457 HydrophobicContact CB-CD2 3.34Å; F440-Y457 HydrophobicContact CB-CE1 4.17Å; F440-Y457 HydrophobicContact CB-CE2 3.63Å; F440-Y457 HydrophobicContact CB-CG 3.54Å; F440-Y457 HydrophobicContact CD1-CD2 4.03Å; F440-Y457 AromaticContact CD1-CG 3.96Å; F440-Y457 HydrophobicContact CD1-CG 3.96Å; F440-Y457 AromaticContact CD2-CD2 3.83Å; F440-Y457 HydrophobicContact CD2-CD2 3.83Å; F440-Y457 HydrophobicContact CD2-CE2 4.33Å; F440-Y457 AromaticContact CG-CD2 3.48Å; F440-Y457 HydrophobicContact CG-CD2 3.48Å; F440-Y457 VanDerWaalsContact CG-CD2 3.48Å; F440-Y457 HydrophobicContact CG-CE2 4.15Å; F440-Y457 AromaticContact CG-CG 3.81Å; F440-Y457 HydrophobicContact CG-CG 3.81Å; F440-F460 HydrophobicContact CD2-CB 4.2Å; F440-F460 AromaticContact CD2-CD1 3.72Å; F440-F460 HydrophobicContact CD2-CD1 3.72Å; F440-F460 HydrophobicContact CD2-CD2 4.27Å; F440-F460 HydrophobicContact CD2-CE1 4.08Å; F440-F460 AromaticContact CD2-CG 3.81Å; F440-F460 HydrophobicContact CD2-CG 3.81Å; F440-F460 HydrophobicContact CD2-CZ 4.48Å; F440-F460 HydrophobicContact CE2-CB 3.48Å; F440-F460 VanDerWaalsContact CE2-CB 3.48Å; F440-F460 AromaticContact CE2-CD1 3.74Å; F440-F460 HydrophobicContact CE2-CD1 3.74Å; F440-F460 AromaticContact CE2-CD2 3.56Å; F440-F460 HydrophobicContact CE2-CD2 3.56Å; F440-F460 HydrophobicContact CE2-CE1 4.32Å; F440-F460 HydrophobicContact CE2-CE2 4.15Å; F440-F460 AromaticContact CE2-CG 3.31Å; F440-F460 HydrophobicContact CE2-CG 3.31Å; F440-F460 HydrophobicContact CE2-CZ 4.5Å; F440-F460 HydrophobicContact CZ-CB 3.72Å; F440-F460 HydrophobicContact CZ-CD2 4.43Å; F440-F460 HydrophobicContact CZ-CG 4.07Å |
| 441 | E | 96.7 | Very high | 94.5 | Very high | 65 Ų | 65 | 59.6 Ų | 59.6 | 30% | 0.304 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -59.9 | -42.3 | 173.6 | -68.8 | -64.2 | 154.2 | 0 | 0 | 111.2 | T437 K438 A443 L444 Q445 Y457 R476 | T437-E441 WeakPolarHBondContact O-CG 3.23Å; T437-E441 PolarHBondContact O-N 3.41Å; K438-E441 PolarHBondContact O-N 3.05Å; E441-A443 VanDerWaalsContact C-N 3.31Å; E441-A443 PolarHBondContact O-N 3.34Å; E441-L444 PolarHBondContact O-N 3.21Å; E441-Q445 WeakPolarHBondContact O-CB 3.39Å; E441-Q445 PolarHBondContact O-N 2.99Å; E441-Y457 HydrophobicContact CG-CE1 4.43Å; E441-Y457 WeakPolarHBondContact OE1-CE1 3.35Å; E441-Y457 VanDerWaalsContact OE1-CZ 3.3Å; E441-Y457 PolarHBondContact OE1-OH 3.16Å; E441-R476 IonicContact OE1-CZ 3.53Å; E441-R476 IonicContact OE1-NH1 2.79Å; E441-R476 IonicContact OE1-NH2 3.63Å; E441-R476 PolarHBondContact OE1-NH2 2.75Å; E441-R476 IonicContact OE2-CZ 3.63Å; E441-R476 IonicContact OE2-NH1 2.7Å; E441-R476 PolarHBondContact OE2-NH1 3.49Å; E441-R476 IonicContact OE2-NH2 2.74Å; E441-R476 PolarHBondContact OE2-NH2 2.86Å |
| 442 | L | 97 | Very high | 94.7 | Very high | 68 Ų | 68 | 55.2 Ų | 55.2 | 36% | 0.356 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -62.3 | -37.9 | 173.6 | -71.4 | 173.9 | 0 | 0 | 0 | 112.5 | Y419 K438 I439 F440 K446 | Y419-L442 HydrophobicContact CD1-CB 4.44Å; Y419-L442 HydrophobicContact CE1-CB 4.29Å; K438-L442 WeakPolarHBondContact O-CG 3.18Å; K438-L442 PolarHBondContact O-N 3.33Å; I439-L442 PolarHBondContact O-N 3.47Å; F440-L442 VanDerWaalsContact C-N 3.31Å; F440-L442 PolarHBondContact O-N 3.07Å; L442-K446 WeakPolarHBondContact O-CB 3.4Å; L442-K446 PolarHBondContact O-N 2.9Å; L442-K446 VanDerWaalsContact O-N 3.07Å |
| 443 | A | 97 | Very high | 94.9 | Very high | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -65.1 | -45.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | Y419 I439 F440 E441 Q445 K446 F447 V453 | Y419-A443 HydrophobicContact CD1-CB 3.98Å; Y419-A443 HydrophobicContact CG-CB 3.88Å; I439-A443 PolarHBondContact O-N 3.37Å; F440-A443 WeakPolarHBondContact O-CB 3.48Å; F440-A443 PolarHBondContact O-N 2.99Å; F440-A443 VanDerWaalsContact O-N 3.11Å; E441-A443 VanDerWaalsContact C-N 3.31Å; E441-A443 PolarHBondContact O-N 3.34Å; A443-Q445 VanDerWaalsContact C-N 3.33Å; A443-Q445 PolarHBondContact O-N 3.33Å; A443-K446 PolarHBondContact O-N 3.08Å; A443-F447 WeakPolarHBondContact O-CD2 3.19Å; A443-F447 PolarHBondContact O-N 3.43Å; A443-V453 HydrophobicContact CB-CG1 3.68Å |
| 444 | L | 95.1 | Very high | 95 | Very high | 26 Ų | 26 | 47.9 Ų | 47.9 | 14% | 0.136 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -65.9 | -36.7 | 179.6 | -169.2 | 64.7 | 0 | 0 | 0 | 111.6 | F440 E441 F447 P448 A454 L473 | F440-L444 PolarHBondContact O-N 3.49Å; E441-L444 PolarHBondContact O-N 3.21Å; L444-F447 CarbonylContact O-C 3.5Å; L444-P448 VanDerWaalsContact O-CA 3.26Å; L444-P448 WeakPolarHBondContact O-CA 3.05Å; L444-A454 HydrophobicContact CD1-CB 4.33Å; L444-L473 HydrophobicContact CD2-CD1 4.33Å |
| 445 | Q | 95.1 | Very high | 95 | Very high | 153 Ų | 153 | 45.8 Ų | 45.8 | 72% | 0.715 | 23% | 0.228 | S | C | * | . | H | α-helix | trans | -65.8 | -39.6 | 174.2 | -173 | -177.7 | 8.3 | 0 | 0 | 112.4 | E441 A443 | E441-Q445 WeakPolarHBondContact O-CB 3.39Å; E441-Q445 PolarHBondContact O-N 2.99Å; A443-Q445 VanDerWaalsContact C-N 3.33Å; A443-Q445 PolarHBondContact O-N 3.33Å |
| 446 | K | 95.3 | Very high | 95.1 | Very high | 80 Ų | 80 | 44.5 Ų | 44.5 | 35% | 0.348 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -79.4 | -32.2 | -178.7 | -172.2 | 171.9 | 178.5 | 176.8 | 0 | 113 | R409 Y419 L442 A443 P448 | R409-K446 PolarHBondContact O-NZ 2.88Å; Y419-K446 HydrophobicContact CE2-CD 4.12Å; Y419-K446 WeakPolarHBondContact OH-CD 3.4Å; Y419-K446 PolarHBondContact OH-NZ 3.43Å; Y419-K446 VanDerWaalsContact OH-NZ 3.17Å; L442-K446 WeakPolarHBondContact O-CB 3.4Å; L442-K446 PolarHBondContact O-N 2.9Å; L442-K446 VanDerWaalsContact O-N 3.07Å; A443-K446 PolarHBondContact O-N 3.08Å; K446-P448 WeakPolarHBondContact O-CD 3.5Å |
| 447 | F | 95.5 | Very high | 95.1 | Very high | 35 Ų | 35 | 44.9 Ų | 44.9 | 15% | 0.154 | 22% | 0.224 | C | C | . | . | trans | -125.2 | 58.3 | -176.8 | -54.7 | -76.1 | 0 | 0 | 0 | 111.8 | C414 W416 Y419 A443 L444 N449 V450 V453 | C414-F447 WeakPolarHBondContact O-CZ 3.47Å; W416-F447 HydrophobicContact CB-CB 4.39Å; W416-F447 HydrophobicContact CB-CD2 3.58Å; W416-F447 HydrophobicContact CB-CE2 3.89Å; W416-F447 HydrophobicContact CB-CG 3.92Å; W416-F447 HydrophobicContact CB-CZ 4.49Å; Y419-F447 AromaticContact CD2-CE2 3.88Å; Y419-F447 HydrophobicContact CD2-CE2 3.88Å; Y419-F447 AromaticContact CE2-CE2 3.68Å; Y419-F447 HydrophobicContact CE2-CE2 3.68Å; Y419-F447 HydrophobicContact CE2-CZ 4.34Å; A443-F447 WeakPolarHBondContact O-CD2 3.19Å; A443-F447 PolarHBondContact O-N 3.43Å; L444-F447 CarbonylContact O-C 3.5Å; F447-N449 PolarHBondContact O-N 2.93Å; F447-V450 HydrophobicContact CB-CB 4.16Å; F447-V450 HydrophobicContact CB-CG2 3.96Å; F447-V450 PolarHBondContact O-N 2.75Å; F447-V453 HydrophobicContact CB-CG2 4.04Å | ||
| 448 | P | 92.7 | Very high | 95.1 | Very high | 40 Ų | 40 | 43.2 Ų | 43.2 | 26% | 0.26 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | -21.8 | -171.5 | 29.9 | -37.6 | 0 | 0 | 0 | 113.2 | L444 K446 Q482 I483 | L444-P448 VanDerWaalsContact O-CA 3.26Å; L444-P448 WeakPolarHBondContact O-CA 3.05Å; K446-P448 WeakPolarHBondContact O-CD 3.5Å; P448-Q482 HydrophobicContact CB-CB 3.93Å; P448-Q482 HydrophobicContact CB-CG 4.13Å; P448-I483 WeakPolarHBondContact O-CG1 3.36Å |
| 449 | N | 92.2 | Very high | 95.1 | Very high | 80 Ų | 80 | 40.2 Ų | 40.2 | 43% | 0.428 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.6 | 5 | -176.4 | -54.1 | -5 | 0 | 0 | 0 | 113.2 | F447 Q482 | F447-N449 PolarHBondContact O-N 2.93Å; N449-Q482 WeakPolarHBondContact CA-O 3.36Å; N449-Q482 VanDerWaalsContact CG-O 3.27Å; N449-Q482 PolarHBondContact OD1-O 3.36Å |
| 450 | V | 93.2 | Very high | 95 | Very high | 35 Ų | 35 | 40.1 Ų | 40.1 | 21% | 0.212 | 20% | 0.202 | C | C | . | . | trans | -107.1 | 101.6 | -174.3 | -176.6 | 0 | 0 | 0 | 0 | 109.3 | W416 F447 E452 V453 | W416-V450 HydrophobicContact CG-CG1 4.28Å; F447-V450 HydrophobicContact CB-CB 4.16Å; F447-V450 HydrophobicContact CB-CG2 3.96Å; F447-V450 PolarHBondContact O-N 2.75Å; V450-E452 HydrophobicContact CG1-CB 4.24Å; V450-E452 WeakPolarHBondContact CG1-OE2 3.39Å; V450-E452 PolarHBondContact O-N 3.24Å; V450-V453 HydrophobicContact CB-CG2 3.96Å; V450-V453 HydrophobicContact CG1-CG2 3.86Å; V450-V453 PolarHBondContact O-N 3.3Å; V450-V453 VanDerWaalsContact O-N 3.16Å | ||
| 451 | P | 90.8 | Very high | 94.8 | Very high | 7 Ų | 7 | 40.3 Ų | 40.3 | 5% | 0.045 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -61.6 | -27.5 | -175.6 | 29.6 | -39.8 | 0 | 0 | 0 | 113.1 | V453 A454 L455 I483 K487 | P451-V453 PolarHBondContact O-N 2.8Å; P451-A454 WeakPolarHBondContact O-CB 3.44Å; P451-A454 PolarHBondContact O-N 3.47Å; P451-L455 WeakPolarHBondContact O-CG 3.37Å; P451-L455 PolarHBondContact O-N 3.12Å; P451-I483 HydrophobicContact CB-CD1 4.48Å; P451-I483 HydrophobicContact CB-CG2 4.34Å; P451-K487 HydrophobicContact CB-CB 4.46Å; P451-K487 HydrophobicContact CG-CB 4.01Å; P451-K487 HydrophobicContact CG-CD 4.21Å |
| 452 | E | 93.5 | Very high | 94.8 | Very high | 92 Ų | 92 | 39.1 Ų | 39.1 | 43% | 0.43 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -62.7 | -30.1 | 179.2 | -61.6 | 84.2 | 169.8 | 0 | 0 | 112.3 | W416 V450 A456 | W416-E452 HydrophobicContact CH2-CB 3.7Å; W416-E452 HydrophobicContact CZ2-CB 3.42Å; W416-E452 VanDerWaalsContact CZ2-CB 3.42Å; W416-E452 HydrophobicContact CZ2-CG 4.06Å; W416-E452 HydrophobicContact CZ3-CB 4.4Å; V450-E452 HydrophobicContact CG1-CB 4.24Å; V450-E452 WeakPolarHBondContact CG1-OE2 3.39Å; V450-E452 PolarHBondContact O-N 3.24Å; E452-A456 VanDerWaalsContact O-CB 3.25Å; E452-A456 WeakPolarHBondContact O-CB 3.27Å; E452-A456 PolarHBondContact O-N 3.41Å |
| 453 | V | 95.1 | Very high | 94.6 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -70.9 | -46.2 | 175.8 | -176.3 | 0 | 0 | 0 | 0 | 110.9 | W416 A443 F447 V450 P451 A456 Y457 | W416-V453 HydrophobicContact CB-CG2 3.27Å; W416-V453 HydrophobicContact CD2-CG2 3.72Å; W416-V453 HydrophobicContact CE3-CG2 4.01Å; W416-V453 HydrophobicContact CG-CG2 3.4Å; A443-V453 HydrophobicContact CB-CG1 3.68Å; F447-V453 HydrophobicContact CB-CG2 4.04Å; V450-V453 HydrophobicContact CB-CG2 3.96Å; V450-V453 HydrophobicContact CG1-CG2 3.86Å; V450-V453 PolarHBondContact O-N 3.3Å; V450-V453 VanDerWaalsContact O-N 3.16Å; P451-V453 PolarHBondContact O-N 2.8Å; V453-A456 PolarHBondContact O-N 2.78Å; V453-Y457 WeakPolarHBondContact O-CB 2.99Å; V453-Y457 PolarHBondContact O-N 3.46Å |
| 454 | A | 93.7 | Very high | 94.4 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -57.2 | -49.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | L444 P451 Y457 I458 I477 I483 | L444-A454 HydrophobicContact CD1-CB 4.33Å; P451-A454 WeakPolarHBondContact O-CB 3.44Å; P451-A454 PolarHBondContact O-N 3.47Å; A454-Y457 PolarHBondContact O-N 3.06Å; A454-I458 WeakPolarHBondContact O-CB 3.49Å; A454-I458 WeakPolarHBondContact O-CD1 3.46Å; A454-I458 VanDerWaalsContact O-CG1 3.27Å; A454-I458 WeakPolarHBondContact O-CG1 3.45Å; A454-I458 PolarHBondContact O-N 3.28Å; A454-I477 HydrophobicContact CB-CD1 3.5Å; A454-I477 HydrophobicContact CB-CG1 4.1Å; A454-I477 HydrophobicContact CB-CG2 4.15Å; A454-I483 HydrophobicContact CB-CD1 4.17Å |
| 455 | L | 94.5 | Very high | 94.2 | Very high | 37 Ų | 37 | 47 Ų | 47 | 19% | 0.194 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -61.7 | -44.9 | 177.5 | -70.9 | 171.6 | 0 | 0 | 0 | 111.9 | P451 Y457 I458 E459 D490 V491 R494 | P451-L455 WeakPolarHBondContact O-CG 3.37Å; P451-L455 PolarHBondContact O-N 3.12Å; L455-Y457 VanDerWaalsContact C-N 3.28Å; L455-Y457 PolarHBondContact O-N 2.71Å; L455-I458 WeakPolarHBondContact O-CB 3.44Å; L455-I458 PolarHBondContact O-N 2.89Å; L455-E459 WeakPolarHBondContact O-CG 3.42Å; L455-E459 PolarHBondContact O-N 3.22Å; L455-D490 HydrophobicContact CD1-CB 4.02Å; L455-V491 HydrophobicContact CD2-CG2 4.25Å; L455-V491 HydrophobicContact CG-CG2 4.4Å; L455-R494 HydrophobicContact CD2-CB 3.99Å; L455-R494 HydrophobicContact CD2-CG 4.22Å |
| 456 | A | 96 | Very high | 93.8 | Very high | 22 Ų | 22 | 42.6 Ų | 42.6 | 18% | 0.182 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -61 | -37.2 | 177 | 0 | 0 | 0 | 0 | 0 | 112.6 | V420 F440 E452 V453 F460 | V420-A456 HydrophobicContact CG1-CB 4.07Å; V420-A456 HydrophobicContact CG2-CB 3.8Å; F440-A456 HydrophobicContact CE1-CB 4.15Å; E452-A456 VanDerWaalsContact O-CB 3.25Å; E452-A456 WeakPolarHBondContact O-CB 3.27Å; E452-A456 PolarHBondContact O-N 3.41Å; V453-A456 PolarHBondContact O-N 2.78Å; A456-F460 PolarHBondContact O-N 2.96Å; A456-F460 VanDerWaalsContact O-N 3.13Å |
| 457 | Y | 96.5 | Very high | 93.7 | Very high | 9 Ų | 9 | 43 Ų | 43 | 4% | 0.035 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -71.4 | -40.2 | 175.9 | -174.1 | -163.6 | 0 | 0 | 0 | 112.2 | T437 F440 E441 V453 A454 L455 F460 L461 L473 | T437-Y457 HydrophobicContact CG2-CE2 4.22Å; T437-Y457 WeakPolarHBondContact CG2-OH 3.45Å; F440-Y457 HydrophobicContact CB-CD1 3.94Å; F440-Y457 HydrophobicContact CB-CD2 3.34Å; F440-Y457 HydrophobicContact CB-CE1 4.17Å; F440-Y457 HydrophobicContact CB-CE2 3.63Å; F440-Y457 HydrophobicContact CB-CG 3.54Å; F440-Y457 HydrophobicContact CD1-CD2 4.03Å; F440-Y457 AromaticContact CD1-CG 3.96Å; F440-Y457 HydrophobicContact CD1-CG 3.96Å; F440-Y457 AromaticContact CD2-CD2 3.83Å; F440-Y457 HydrophobicContact CD2-CD2 3.83Å; F440-Y457 HydrophobicContact CD2-CE2 4.33Å; F440-Y457 AromaticContact CG-CD2 3.48Å; F440-Y457 HydrophobicContact CG-CD2 3.48Å; F440-Y457 VanDerWaalsContact CG-CD2 3.48Å; F440-Y457 HydrophobicContact CG-CE2 4.15Å; F440-Y457 AromaticContact CG-CG 3.81Å; F440-Y457 HydrophobicContact CG-CG 3.81Å; E441-Y457 HydrophobicContact CG-CE1 4.43Å; E441-Y457 WeakPolarHBondContact OE1-CE1 3.35Å; E441-Y457 VanDerWaalsContact OE1-CZ 3.3Å; E441-Y457 PolarHBondContact OE1-OH 3.16Å; V453-Y457 WeakPolarHBondContact O-CB 2.99Å; V453-Y457 PolarHBondContact O-N 3.46Å; A454-Y457 PolarHBondContact O-N 3.06Å; L455-Y457 VanDerWaalsContact C-N 3.28Å; L455-Y457 PolarHBondContact O-N 2.71Å; Y457-F460 AromaticContact CD2-CD1 3.88Å; Y457-F460 HydrophobicContact CD2-CD1 3.88Å; Y457-F460 AromaticContact CE2-CD1 3.98Å; Y457-F460 HydrophobicContact CE2-CD1 3.98Å; Y457-F460 HydrophobicContact CE2-CE1 4.3Å; Y457-F460 WeakPolarHBondContact O-CB 2.97Å; Y457-F460 PolarHBondContact O-N 3.03Å; Y457-L461 HydrophobicContact CD2-CD1 4.41Å; Y457-L461 HydrophobicContact CD2-CG 4.03Å; Y457-L461 HydrophobicContact CE2-CD1 3.98Å; Y457-L461 HydrophobicContact CE2-CD2 3.83Å; Y457-L461 HydrophobicContact CE2-CG 3.74Å; Y457-L461 PolarHBondContact O-N 2.85Å; Y457-L473 HydrophobicContact CD1-CD1 3.78Å; Y457-L473 HydrophobicContact CD1-CD2 3.37Å; Y457-L473 HydrophobicContact CD1-CG 4.25Å; Y457-L473 HydrophobicContact CD2-CD2 4.13Å; Y457-L473 HydrophobicContact CE1-CD1 3.79Å; Y457-L473 HydrophobicContact CE1-CD2 3.75Å; Y457-L473 HydrophobicContact CE1-CG 4.42Å; Y457-L473 HydrophobicContact CE2-CD2 4.44Å; Y457-L473 HydrophobicContact CG-CD2 3.57Å |
| 458 | I | 95.8 | Very high | 93.5 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -58.3 | -49.6 | 172.7 | -73.3 | 160.6 | 0 | 0 | 0 | 110.3 | A454 L455 F460 L461 I462 L473 F474 I477 V491 R494 | A454-I458 WeakPolarHBondContact O-CB 3.49Å; A454-I458 WeakPolarHBondContact O-CD1 3.46Å; A454-I458 VanDerWaalsContact O-CG1 3.27Å; A454-I458 WeakPolarHBondContact O-CG1 3.45Å; A454-I458 PolarHBondContact O-N 3.28Å; L455-I458 WeakPolarHBondContact O-CB 3.44Å; L455-I458 PolarHBondContact O-N 2.89Å; I458-F460 PolarHBondContact O-N 3.17Å; I458-L461 PolarHBondContact O-N 2.99Å; I458-L461 VanDerWaalsContact O-N 3.11Å; I458-I462 HydrophobicContact CG2-CD1 3.61Å; I458-I462 HydrophobicContact CG2-CG1 4.28Å; I458-I462 WeakPolarHBondContact O-CB 3.26Å; I458-I462 VanDerWaalsContact O-CG1 3.28Å; I458-I462 WeakPolarHBondContact O-CG1 3.31Å; I458-I462 PolarHBondContact O-N 3.22Å; I458-L473 HydrophobicContact CB-CD2 4.5Å; I458-L473 HydrophobicContact CG1-CD2 3.66Å; I458-L473 HydrophobicContact CG1-CG 4.04Å; I458-F474 HydrophobicContact CD1-CD1 3.67Å; I458-F474 HydrophobicContact CD1-CE1 3.56Å; I458-F474 HydrophobicContact CD1-CG 4.45Å; I458-F474 HydrophobicContact CD1-CZ 4.26Å; I458-F474 HydrophobicContact CG1-CD1 4.37Å; I458-F474 HydrophobicContact CG1-CE1 4.21Å; I458-F474 HydrophobicContact CG1-CZ 4.46Å; I458-F474 HydrophobicContact CG2-CE1 3.79Å; I458-F474 HydrophobicContact CG2-CE2 3.89Å; I458-F474 HydrophobicContact CG2-CZ 3.35Å; I458-I477 HydrophobicContact CD1-CD1 3.69Å; I458-I477 HydrophobicContact CG1-CD1 4.17Å; I458-V491 HydrophobicContact CD1-CG1 4.37Å; I458-R494 HydrophobicContact CG2-CG 4.44Å |
| 459 | E | 95.5 | Very high | 93.4 | Very high | 81 Ų | 81 | 50.8 Ų | 50.8 | 38% | 0.379 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -58.7 | -38.8 | 177.4 | -67.1 | -46.8 | 147.5 | 0 | 0 | 112.1 | L455 I462 S463 R494 | L455-E459 WeakPolarHBondContact O-CG 3.42Å; L455-E459 PolarHBondContact O-N 3.22Å; E459-I462 PolarHBondContact O-N 2.94Å; E459-S463 WeakPolarHBondContact O-CB 3.41Å; E459-S463 PolarHBondContact O-N 3.46Å; E459-R494 WeakPolarHBondContact OE1-CD 3.49Å; E459-R494 IonicContact OE1-CZ 3.03Å; E459-R494 IonicContact OE1-NE 2.95Å; E459-R494 PolarHBondContact OE1-NE 3.2Å; E459-R494 IonicContact OE1-NH2 3.5Å; E459-R494 PolarHBondContact OE1-NH2 2.82Å; E459-R494 IonicContact OE2-CZ 2.78Å; E459-R494 IonicContact OE2-NE 3.69Å; E459-R494 IonicContact OE2-NH2 2.86Å; E459-R494 PolarHBondContact OE2-NH2 3.25Å |
| 460 | F | 95.3 | Very high | 93.6 | Very high | 12 Ų | 12 | 47 Ų | 47 | 5% | 0.053 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -61.5 | -48.5 | 174 | 165.8 | -95.6 | 0 | 0 | 0 | 111.9 | L427 A436 T437 F440 A456 Y457 I458 I462 S463 L464 | L427-F460 HydrophobicContact CB-CE2 4.36Å; L427-F460 HydrophobicContact CD1-CE2 4.39Å; L427-F460 HydrophobicContact CD2-CD2 4.16Å; L427-F460 HydrophobicContact CD2-CE2 3.82Å; L427-F460 HydrophobicContact CG-CE2 4.4Å; A436-F460 HydrophobicContact CB-CE2 3.59Å; A436-F460 HydrophobicContact CB-CZ 3.54Å; T437-F460 WeakPolarHBondContact OG1-CE1 3.4Å; F440-F460 HydrophobicContact CD2-CB 4.2Å; F440-F460 AromaticContact CD2-CD1 3.72Å; F440-F460 HydrophobicContact CD2-CD1 3.72Å; F440-F460 HydrophobicContact CD2-CD2 4.27Å; F440-F460 HydrophobicContact CD2-CE1 4.08Å; F440-F460 AromaticContact CD2-CG 3.81Å; F440-F460 HydrophobicContact CD2-CG 3.81Å; F440-F460 HydrophobicContact CD2-CZ 4.48Å; F440-F460 HydrophobicContact CE2-CB 3.48Å; F440-F460 VanDerWaalsContact CE2-CB 3.48Å; F440-F460 AromaticContact CE2-CD1 3.74Å; F440-F460 HydrophobicContact CE2-CD1 3.74Å; F440-F460 AromaticContact CE2-CD2 3.56Å; F440-F460 HydrophobicContact CE2-CD2 3.56Å; F440-F460 HydrophobicContact CE2-CE1 4.32Å; F440-F460 HydrophobicContact CE2-CE2 4.15Å; F440-F460 AromaticContact CE2-CG 3.31Å; F440-F460 HydrophobicContact CE2-CG 3.31Å; F440-F460 HydrophobicContact CE2-CZ 4.5Å; F440-F460 HydrophobicContact CZ-CB 3.72Å; F440-F460 HydrophobicContact CZ-CD2 4.43Å; F440-F460 HydrophobicContact CZ-CG 4.07Å; A456-F460 PolarHBondContact O-N 2.96Å; A456-F460 VanDerWaalsContact O-N 3.13Å; Y457-F460 AromaticContact CD2-CD1 3.88Å; Y457-F460 HydrophobicContact CD2-CD1 3.88Å; Y457-F460 AromaticContact CE2-CD1 3.98Å; Y457-F460 HydrophobicContact CE2-CD1 3.98Å; Y457-F460 HydrophobicContact CE2-CE1 4.3Å; Y457-F460 WeakPolarHBondContact O-CB 2.97Å; Y457-F460 PolarHBondContact O-N 3.03Å; I458-F460 PolarHBondContact O-N 3.17Å; F460-I462 VanDerWaalsContact C-N 3.33Å; F460-I462 PolarHBondContact O-N 2.78Å; F460-S463 WeakPolarHBondContact O-CB 3.27Å; F460-S463 PolarHBondContact O-N 3.36Å; F460-S463 VanDerWaalsContact O-N 3.16Å; F460-S463 PolarHBondContact O-OG 3.17Å; F460-L464 HydrophobicContact CD1-CD1 4.24Å; F460-L464 HydrophobicContact CE1-CD1 3.6Å; F460-L464 HydrophobicContact CE2-CD1 4.19Å; F460-L464 HydrophobicContact CZ-CD1 3.58Å; F460-L464 HydrophobicContact CZ-CG 4.39Å; F460-L464 WeakPolarHBondContact O-CG 3.33Å; F460-L464 PolarHBondContact O-N 2.96Å |
| 461 | L | 95.2 | Very high | 93.6 | Very high | 4 Ų | 4 | 47.4 Ų | 47.4 | 2% | 0.021 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -65.6 | -35.9 | 178.5 | -67.7 | -175.9 | 0 | 0 | 0 | 112.8 | Y457 I458 S463 L464 N465 N466 N469 T470 L473 | Y457-L461 HydrophobicContact CD2-CD1 4.41Å; Y457-L461 HydrophobicContact CD2-CG 4.03Å; Y457-L461 HydrophobicContact CE2-CD1 3.98Å; Y457-L461 HydrophobicContact CE2-CD2 3.83Å; Y457-L461 HydrophobicContact CE2-CG 3.74Å; Y457-L461 PolarHBondContact O-N 2.85Å; I458-L461 PolarHBondContact O-N 2.99Å; I458-L461 VanDerWaalsContact O-N 3.11Å; L461-S463 VanDerWaalsContact C-N 3.32Å; L461-L464 HydrophobicContact CD2-CD1 4.41Å; L461-L464 PolarHBondContact O-N 2.8Å; L461-L464 VanDerWaalsContact O-N 3.17Å; L461-N465 PolarHBondContact O-N 3.45Å; L461-N466 PolarHBondContact O-N 2.88Å; L461-N469 HydrophobicContact CD1-CB 4.23Å; L461-T470 WeakPolarHBondContact CB-OG1 3.44Å; L461-L473 HydrophobicContact CD1-CB 3.97Å; L461-L473 HydrophobicContact CD1-CD2 3.54Å; L461-L473 HydrophobicContact CD1-CG 4.38Å; L461-L473 HydrophobicContact CG-CD2 4.38Å |
| 462 | I | 95 | Very high | 93.9 | Very high | 40 Ų | 40 | 50.8 Ų | 50.8 | 21% | 0.205 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -61.5 | -43.4 | 173 | -69.9 | 173.9 | 0 | 0 | 0 | 110.1 | I458 E459 F460 L464 N465 T470 R494 Y498 | I458-I462 HydrophobicContact CG2-CD1 3.61Å; I458-I462 HydrophobicContact CG2-CG1 4.28Å; I458-I462 WeakPolarHBondContact O-CB 3.26Å; I458-I462 VanDerWaalsContact O-CG1 3.28Å; I458-I462 WeakPolarHBondContact O-CG1 3.31Å; I458-I462 PolarHBondContact O-N 3.22Å; E459-I462 PolarHBondContact O-N 2.94Å; F460-I462 VanDerWaalsContact C-N 3.33Å; F460-I462 PolarHBondContact O-N 2.78Å; I462-L464 PolarHBondContact O-N 3.39Å; I462-N465 PolarHBondContact O-N 3.41Å; I462-T470 HydrophobicContact CD1-CG2 4.21Å; I462-T470 HydrophobicContact CG1-CG2 3.57Å; I462-R494 VanDerWaalsContact CD1-CZ 3.49Å; I462-Y498 HydrophobicContact CD1-CD2 3.65Å; I462-Y498 HydrophobicContact CD1-CE2 4.14Å; I462-Y498 HydrophobicContact CD1-CG 4.26Å; I462-Y498 HydrophobicContact CG1-CD2 3.84Å; I462-Y498 HydrophobicContact CG1-CE2 3.78Å; I462-Y498 HydrophobicContact CG2-CE2 4.49Å |
| 463 | S | 93.6 | Very high | 93.9 | Very high | 83 Ų | 83 | 46.7 Ų | 46.7 | 58% | 0.58 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -63.1 | -24.5 | 177 | 80.3 | 0 | 0 | 0 | 0 | 113.6 | E459 F460 L461 N465 | E459-S463 WeakPolarHBondContact O-CB 3.41Å; E459-S463 PolarHBondContact O-N 3.46Å; F460-S463 WeakPolarHBondContact O-CB 3.27Å; F460-S463 PolarHBondContact O-N 3.36Å; F460-S463 VanDerWaalsContact O-N 3.16Å; F460-S463 PolarHBondContact O-OG 3.17Å; L461-S463 VanDerWaalsContact C-N 3.32Å; S463-N465 VanDerWaalsContact C-N 3.34Å |
| 464 | L | 92.1 | Very high | 94 | Very high | 60 Ų | 60 | 46.7 Ų | 46.7 | 31% | 0.314 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.5 | -4.5 | 174 | -62.1 | 178.5 | 0 | 0 | 0 | 113.4 | L427 F460 L461 I462 N466 | L427-L464 HydrophobicContact CD1-CD2 4.26Å; L427-L464 HydrophobicContact CD2-CD2 4.48Å; F460-L464 HydrophobicContact CD1-CD1 4.24Å; F460-L464 HydrophobicContact CE1-CD1 3.6Å; F460-L464 HydrophobicContact CE2-CD1 4.19Å; F460-L464 HydrophobicContact CZ-CD1 3.58Å; F460-L464 HydrophobicContact CZ-CG 4.39Å; F460-L464 WeakPolarHBondContact O-CG 3.33Å; F460-L464 PolarHBondContact O-N 2.96Å; L461-L464 HydrophobicContact CD2-CD1 4.41Å; L461-L464 PolarHBondContact O-N 2.8Å; L461-L464 VanDerWaalsContact O-N 3.17Å; I462-L464 PolarHBondContact O-N 3.39Å; L464-N466 PolarHBondContact O-N 3.08Å |
| 465 | N | 90.8 | Very high | 94 | Very high | 116 Ų | 116 | 49.5 Ų | 49.5 | 62% | 0.62 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.2 | 28 | -175.5 | -166.3 | 30.1 | 0 | 0 | 0 | 114 | L461 I462 S463 K467 | L461-N465 PolarHBondContact O-N 3.45Å; I462-N465 PolarHBondContact O-N 3.41Å; S463-N465 VanDerWaalsContact C-N 3.34Å; N465-K467 PolarHBondContact O-N 3.14Å |
| 466 | N | 88.3 | Confident | 94 | Very high | 61 Ų | 61 | 52.8 Ų | 52.8 | 33% | 0.326 | 27% | 0.271 | S | S | . | . | trans | -89.6 | 89.6 | 176.7 | -170.2 | -32.1 | 0 | 0 | 0 | 110.1 | L461 L464 E468 N469 T470 | L461-N466 PolarHBondContact O-N 2.88Å; L464-N466 PolarHBondContact O-N 3.08Å; N466-E468 PolarHBondContact O-N 3.18Å; N466-N469 HydrophobicContact CB-CB 4.33Å; N466-N469 PolarHBondContact ND2-ND2 2.88Å; N466-N469 WeakPolarHBondContact OD1-CB 3.21Å; N466-N469 PolarHBondContact OD1-N 3Å; N466-N469 VanDerWaalsContact OD1-N 3.11Å; N466-T470 VanDerWaalsContact O-CB 3.31Å; N466-T470 WeakPolarHBondContact O-CB 3.27Å; N466-T470 PolarHBondContact O-N 2.89Å; N466-T470 PolarHBondContact O-OG1 3.2Å | ||
| 467 | K | 91.6 | Very high | 93.9 | Very high | 89 Ų | 89 | 52 Ų | 52 | 39% | 0.387 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -61.9 | -41.3 | -172.9 | -60.5 | -176.7 | -178.8 | -178.2 | 0 | 113.3 | N465 R471 Y498 | N465-K467 PolarHBondContact O-N 3.14Å; K467-R471 WeakPolarHBondContact O-CB 3.49Å; K467-R471 WeakPolarHBondContact O-CD 3.49Å; K467-R471 VanDerWaalsContact O-CG 3.24Å; K467-R471 WeakPolarHBondContact O-CG 3.1Å; K467-R471 PolarHBondContact O-N 3.44Å; K467-Y498 WeakPolarHBondContact CA-OH 3.2Å |
| 468 | E | 91.5 | Very high | 93.7 | Very high | 157 Ų | 157 | 53 Ų | 53 | 73% | 0.734 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -68.5 | -47.6 | -177.4 | -67.5 | -179.9 | 179 | 0 | 0 | 111.4 | N466 T470 R471 S472 | N466-E468 PolarHBondContact O-N 3.18Å; E468-T470 VanDerWaalsContact C-N 3.33Å; E468-T470 PolarHBondContact O-N 3.04Å; E468-R471 PolarHBondContact O-N 3.07Å; E468-S472 VanDerWaalsContact O-CB 3.32Å; E468-S472 WeakPolarHBondContact O-CB 3.24Å; E468-S472 PolarHBondContact O-N 3.22Å |
| 469 | N | 91.9 | Very high | 93.5 | Very high | 82 Ų | 82 | 57.8 Ų | 57.8 | 44% | 0.439 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -65.8 | -38 | 177.7 | -72.1 | -4.9 | 0 | 0 | 0 | 112 | L461 N466 S472 L473 | L461-N469 HydrophobicContact CD1-CB 4.23Å; N466-N469 HydrophobicContact CB-CB 4.33Å; N466-N469 PolarHBondContact ND2-ND2 2.88Å; N466-N469 WeakPolarHBondContact OD1-CB 3.21Å; N466-N469 PolarHBondContact OD1-N 3Å; N466-N469 VanDerWaalsContact OD1-N 3.11Å; N469-S472 PolarHBondContact O-N 2.9Å; N469-L473 WeakPolarHBondContact O-CB 3.47Å; N469-L473 PolarHBondContact O-N 2.95Å |
| 470 | T | 95 | Very high | 93.2 | Very high | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -60.6 | -49.2 | 176.6 | -57.9 | 0 | 0 | 0 | 0 | 110.8 | L461 I462 N466 E468 L473 F474 Y498 | L461-T470 WeakPolarHBondContact CB-OG1 3.44Å; I462-T470 HydrophobicContact CD1-CG2 4.21Å; I462-T470 HydrophobicContact CG1-CG2 3.57Å; N466-T470 VanDerWaalsContact O-CB 3.31Å; N466-T470 WeakPolarHBondContact O-CB 3.27Å; N466-T470 PolarHBondContact O-N 2.89Å; N466-T470 PolarHBondContact O-OG1 3.2Å; E468-T470 VanDerWaalsContact C-N 3.33Å; E468-T470 PolarHBondContact O-N 3.04Å; T470-L473 PolarHBondContact O-N 3.42Å; T470-F474 HydrophobicContact CG2-CD2 3.96Å; T470-F474 HydrophobicContact CG2-CE2 3.63Å; T470-F474 VanDerWaalsContact O-CD2 3.24Å; T470-F474 WeakPolarHBondContact O-CD2 3.46Å; T470-F474 PolarHBondContact O-N 3.42Å; T470-Y498 HydrophobicContact CG2-CD1 4.32Å; T470-Y498 HydrophobicContact CG2-CE1 3.85Å; T470-Y498 HydrophobicContact CG2-CE2 4.05Å |
| 471 | R | 94.8 | Very high | 92.8 | Very high | 44 Ų | 44 | 63.2 Ų | 63.2 | 17% | 0.166 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -62.3 | -46.6 | 177.3 | -73.9 | 170 | 172.9 | 145.5 | 1.5 | 112.1 | K467 E468 L473 F474 E475 Y498 E499 | K467-R471 WeakPolarHBondContact O-CB 3.49Å; K467-R471 WeakPolarHBondContact O-CD 3.49Å; K467-R471 VanDerWaalsContact O-CG 3.24Å; K467-R471 WeakPolarHBondContact O-CG 3.1Å; K467-R471 PolarHBondContact O-N 3.44Å; E468-R471 PolarHBondContact O-N 3.07Å; R471-L473 PolarHBondContact O-N 2.93Å; R471-F474 WeakPolarHBondContact O-CB 3.34Å; R471-F474 PolarHBondContact O-N 3.41Å; R471-E475 WeakPolarHBondContact O-CG 3.44Å; R471-E475 PolarHBondContact O-N 3.04Å; R471-Y498 HydrophobicContact CG-CE1 4.23Å; R471-E499 WeakPolarHBondContact CD-OE1 3.5Å; R471-E499 VanDerWaalsContact CG-OE1 3.29Å; R471-E499 WeakPolarHBondContact CG-OE1 3.29Å; R471-E499 IonicContact CZ-OE1 3.85Å; R471-E499 IonicContact CZ-OE2 3.53Å; R471-E499 IonicContact NE-OE1 2.68Å; R471-E499 PolarHBondContact NE-OE1 3.44Å; R471-E499 IonicContact NE-OE2 2.73Å; R471-E499 IonicContact NH2-OE1 2.66Å; R471-E499 IonicContact NH2-OE2 3.86Å; R471-E499 PolarHBondContact NH2-OE2 2.8Å |
| 472 | S | 95.3 | Very high | 92.5 | Very high | 77 Ų | 77 | 67.9 Ų | 67.9 | 54% | 0.538 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -56.4 | -41.5 | 176.4 | -178.2 | 0 | 0 | 0 | 0 | 111.5 | E468 N469 E475 R476 | E468-S472 VanDerWaalsContact O-CB 3.32Å; E468-S472 WeakPolarHBondContact O-CB 3.24Å; E468-S472 PolarHBondContact O-N 3.22Å; N469-S472 PolarHBondContact O-N 2.9Å; S472-E475 PolarHBondContact O-N 3.11Å; S472-R476 VanDerWaalsContact O-CB 3.29Å; S472-R476 WeakPolarHBondContact O-CB 3.44Å; S472-R476 PolarHBondContact O-N 3.08Å |
| 473 | L | 94.8 | Very high | 92.1 | Very high | 6 Ų | 6 | 66.3 Ų | 66.3 | 3% | 0.031 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -65.9 | -45 | 177 | -177.6 | 61 | 0 | 0 | 0 | 112.3 | L444 Y457 I458 L461 N469 T470 R471 E475 R476 I477 | L444-L473 HydrophobicContact CD2-CD1 4.33Å; Y457-L473 HydrophobicContact CD1-CD1 3.78Å; Y457-L473 HydrophobicContact CD1-CD2 3.37Å; Y457-L473 HydrophobicContact CD1-CG 4.25Å; Y457-L473 HydrophobicContact CD2-CD2 4.13Å; Y457-L473 HydrophobicContact CE1-CD1 3.79Å; Y457-L473 HydrophobicContact CE1-CD2 3.75Å; Y457-L473 HydrophobicContact CE1-CG 4.42Å; Y457-L473 HydrophobicContact CE2-CD2 4.44Å; Y457-L473 HydrophobicContact CG-CD2 3.57Å; I458-L473 HydrophobicContact CB-CD2 4.5Å; I458-L473 HydrophobicContact CG1-CD2 3.66Å; I458-L473 HydrophobicContact CG1-CG 4.04Å; L461-L473 HydrophobicContact CD1-CB 3.97Å; L461-L473 HydrophobicContact CD1-CD2 3.54Å; L461-L473 HydrophobicContact CD1-CG 4.38Å; L461-L473 HydrophobicContact CG-CD2 4.38Å; N469-L473 WeakPolarHBondContact O-CB 3.47Å; N469-L473 PolarHBondContact O-N 2.95Å; T470-L473 PolarHBondContact O-N 3.42Å; R471-L473 PolarHBondContact O-N 2.93Å; L473-E475 VanDerWaalsContact C-N 3.34Å; L473-E475 PolarHBondContact O-N 3.09Å; L473-R476 PolarHBondContact O-N 3.04Å; L473-I477 HydrophobicContact CD1-CD1 3.72Å; L473-I477 HydrophobicContact CD1-CG1 4.1Å; L473-I477 HydrophobicContact CD2-CD1 4.4Å; L473-I477 HydrophobicContact CG-CD1 3.65Å; L473-I477 HydrophobicContact CG-CG1 4.46Å; L473-I477 WeakPolarHBondContact O-CD1 3.41Å; L473-I477 VanDerWaalsContact O-CG1 3.26Å; L473-I477 WeakPolarHBondContact O-CG1 3.18Å; L473-I477 PolarHBondContact O-N 2.64Å |
| 474 | F | 95.9 | Very high | 91.7 | Very high | 0 Ų | 0 | 64.6 Ų | 64.6 | 0% | 0 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -55.3 | -49.8 | 174.4 | -82.3 | -64.2 | 0 | 0 | 0 | 111.5 | I458 T470 R471 R476 I477 L478 V491 R494 Y495 Y498 | I458-F474 HydrophobicContact CD1-CD1 3.67Å; I458-F474 HydrophobicContact CD1-CE1 3.56Å; I458-F474 HydrophobicContact CD1-CG 4.45Å; I458-F474 HydrophobicContact CD1-CZ 4.26Å; I458-F474 HydrophobicContact CG1-CD1 4.37Å; I458-F474 HydrophobicContact CG1-CE1 4.21Å; I458-F474 HydrophobicContact CG1-CZ 4.46Å; I458-F474 HydrophobicContact CG2-CE1 3.79Å; I458-F474 HydrophobicContact CG2-CE2 3.89Å; I458-F474 HydrophobicContact CG2-CZ 3.35Å; T470-F474 HydrophobicContact CG2-CD2 3.96Å; T470-F474 HydrophobicContact CG2-CE2 3.63Å; T470-F474 VanDerWaalsContact O-CD2 3.24Å; T470-F474 WeakPolarHBondContact O-CD2 3.46Å; T470-F474 PolarHBondContact O-N 3.42Å; R471-F474 WeakPolarHBondContact O-CB 3.34Å; R471-F474 PolarHBondContact O-N 3.41Å; F474-R476 PolarHBondContact O-N 2.87Å; F474-I477 PolarHBondContact O-N 3.16Å; F474-L478 WeakPolarHBondContact O-CB 3.34Å; F474-L478 WeakPolarHBondContact O-CG 3.35Å; F474-L478 PolarHBondContact O-N 3.3Å; F474-V491 HydrophobicContact CD1-CG1 4.14Å; F474-R494 HydrophobicContact CE1-CB 4.41Å; F474-R494 HydrophobicContact CE1-CG 4.32Å; F474-R494 HydrophobicContact CZ-CG 4.19Å; F474-Y495 HydrophobicContact CB-CD1 3.9Å; F474-Y495 HydrophobicContact CB-CD2 3.94Å; F474-Y495 HydrophobicContact CB-CE1 3.87Å; F474-Y495 HydrophobicContact CB-CE2 3.93Å; F474-Y495 HydrophobicContact CB-CG 3.93Å; F474-Y495 HydrophobicContact CD1-CD1 4.28Å; F474-Y495 AromaticContact CD1-CD2 3.95Å; F474-Y495 HydrophobicContact CD1-CD2 3.95Å; F474-Y495 AromaticContact CD1-CG 3.68Å; F474-Y495 HydrophobicContact CD1-CG 3.68Å; F474-Y495 AromaticContact CD2-CD2 3.38Å; F474-Y495 HydrophobicContact CD2-CD2 3.38Å; F474-Y495 AromaticContact CD2-CE2 3.68Å; F474-Y495 HydrophobicContact CD2-CE2 3.68Å; F474-Y495 HydrophobicContact CD2-CG 4.01Å; F474-Y495 HydrophobicContact CE1-CD2 4.24Å; F474-Y495 HydrophobicContact CE1-CG 4.09Å; F474-Y495 AromaticContact CE2-CD2 3.72Å; F474-Y495 HydrophobicContact CE2-CD2 3.72Å; F474-Y495 HydrophobicContact CE2-CE2 4.33Å; F474-Y495 HydrophobicContact CE2-CG 4.39Å; F474-Y495 HydrophobicContact CG-CD1 4.12Å; F474-Y495 AromaticContact CG-CD2 3.51Å; F474-Y495 HydrophobicContact CG-CD2 3.51Å; F474-Y495 HydrophobicContact CG-CE1 4.45Å; F474-Y495 AromaticContact CG-CE2 3.91Å; F474-Y495 HydrophobicContact CG-CE2 3.91Å; F474-Y495 AromaticContact CG-CG 3.63Å; F474-Y495 HydrophobicContact CG-CG 3.63Å; F474-Y495 HydrophobicContact CZ-CD2 4.13Å; F474-Y495 HydrophobicContact CZ-CG 4.42Å; F474-Y498 HydrophobicContact CD2-CD1 4.39Å; F474-Y498 AromaticContact CE2-CD1 3.75Å; F474-Y498 HydrophobicContact CE2-CD1 3.75Å; F474-Y498 HydrophobicContact CE2-CE1 4.42Å; F474-Y498 AromaticContact CE2-CG 3.96Å; F474-Y498 HydrophobicContact CE2-CG 3.96Å |
| 475 | E | 95.1 | Very high | 91.2 | Very high | 59 Ų | 59 | 66 Ų | 66 | 28% | 0.276 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -64.6 | -42 | -179.1 | -66.1 | -66 | -174.9 | 0 | 0 | 112 | R471 S472 L473 I477 L478 T479 Y495 R514 | R471-E475 WeakPolarHBondContact O-CG 3.44Å; R471-E475 PolarHBondContact O-N 3.04Å; S472-E475 PolarHBondContact O-N 3.11Å; L473-E475 VanDerWaalsContact C-N 3.34Å; L473-E475 PolarHBondContact O-N 3.09Å; E475-I477 VanDerWaalsContact C-N 3.32Å; E475-I477 PolarHBondContact O-N 3.31Å; E475-L478 PolarHBondContact O-N 3.49Å; E475-T479 VanDerWaalsContact O-CB 3.26Å; E475-T479 WeakPolarHBondContact O-CB 3.19Å; E475-T479 PolarHBondContact O-N 3.18Å; E475-T479 PolarHBondContact O-OG1 3.33Å; E475-Y495 PolarHBondContact OE1-OH 2.86Å; E475-R514 VanDerWaalsContact CD-NH1 3.31Å; E475-R514 IonicContact OE1-CZ 2.73Å; E475-R514 IonicContact OE1-NH1 3.74Å; E475-R514 PolarHBondContact OE1-NH1 3.26Å; E475-R514 IonicContact OE1-NH2 2.93Å; E475-R514 IonicContact OE2-CZ 3.69Å; E475-R514 VanDerWaalsContact OE2-CZ 3.32Å; E475-R514 IonicContact OE2-NH1 3.32Å; E475-R514 PolarHBondContact OE2-NH1 2.86Å; E475-R514 IonicContact OE2-NH2 3.25Å; E475-R514 PolarHBondContact OE2-NH2 3.44Å |
| 476 | R | 94.5 | Very high | 90.8 | Very high | 106 Ų | 106 | 66.5 Ų | 66.5 | 40% | 0.4 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -59.3 | -43 | 175.8 | -176.4 | 174.8 | 69.8 | 164.5 | -2 | 111.7 | E441 S472 L473 F474 S480 | E441-R476 IonicContact OE1-CZ 3.53Å; E441-R476 IonicContact OE1-NH1 2.79Å; E441-R476 IonicContact OE1-NH2 3.63Å; E441-R476 PolarHBondContact OE1-NH2 2.75Å; E441-R476 IonicContact OE2-CZ 3.63Å; E441-R476 IonicContact OE2-NH1 2.7Å; E441-R476 PolarHBondContact OE2-NH1 3.49Å; E441-R476 IonicContact OE2-NH2 2.74Å; E441-R476 PolarHBondContact OE2-NH2 2.86Å; S472-R476 VanDerWaalsContact O-CB 3.29Å; S472-R476 WeakPolarHBondContact O-CB 3.44Å; S472-R476 PolarHBondContact O-N 3.08Å; L473-R476 PolarHBondContact O-N 3.04Å; F474-R476 PolarHBondContact O-N 2.87Å; R476-S480 VanDerWaalsContact O-CB 3.22Å; R476-S480 WeakPolarHBondContact O-CB 3.34Å; R476-S480 PolarHBondContact O-N 2.9Å |
| 477 | I | 93.7 | Very high | 90.5 | Very high | 6 Ų | 6 | 68.5 Ų | 68.5 | 3% | 0.031 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -70.4 | -45.1 | -179.4 | -68.4 | 159.9 | 0 | 0 | 0 | 111.1 | A454 I458 L473 F474 E475 T479 S480 I483 V491 | A454-I477 HydrophobicContact CB-CD1 3.5Å; A454-I477 HydrophobicContact CB-CG1 4.1Å; A454-I477 HydrophobicContact CB-CG2 4.15Å; I458-I477 HydrophobicContact CD1-CD1 3.69Å; I458-I477 HydrophobicContact CG1-CD1 4.17Å; L473-I477 HydrophobicContact CD1-CD1 3.72Å; L473-I477 HydrophobicContact CD1-CG1 4.1Å; L473-I477 HydrophobicContact CD2-CD1 4.4Å; L473-I477 HydrophobicContact CG-CD1 3.65Å; L473-I477 HydrophobicContact CG-CG1 4.46Å; L473-I477 WeakPolarHBondContact O-CD1 3.41Å; L473-I477 VanDerWaalsContact O-CG1 3.26Å; L473-I477 WeakPolarHBondContact O-CG1 3.18Å; L473-I477 PolarHBondContact O-N 2.64Å; F474-I477 PolarHBondContact O-N 3.16Å; E475-I477 VanDerWaalsContact C-N 3.32Å; E475-I477 PolarHBondContact O-N 3.31Å; I477-T479 VanDerWaalsContact C-N 3.32Å; I477-T479 PolarHBondContact O-N 3.27Å; I477-S480 WeakPolarHBondContact O-CB 3.43Å; I477-S480 PolarHBondContact O-N 2.85Å; I477-I483 HydrophobicContact CG2-CD1 3.46Å; I477-I483 VanDerWaalsContact CG2-CD1 3.46Å; I477-V491 HydrophobicContact CG2-CG1 4.08Å; I477-V491 HydrophobicContact CG2-CG2 4.38Å |
| 478 | L | 92.9 | Very high | 90.4 | Very high | 29 Ų | 29 | 64.9 Ų | 64.9 | 15% | 0.152 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -75.2 | -20.6 | -175.8 | -68.5 | 172.4 | 0 | 0 | 0 | 113.7 | F474 E475 V491 W492 Y495 | F474-L478 WeakPolarHBondContact O-CB 3.34Å; F474-L478 WeakPolarHBondContact O-CG 3.35Å; F474-L478 PolarHBondContact O-N 3.3Å; E475-L478 PolarHBondContact O-N 3.49Å; L478-V491 HydrophobicContact CD1-CG1 4.44Å; L478-V491 HydrophobicContact CD2-CB 4.03Å; L478-V491 HydrophobicContact CD2-CG1 3.71Å; L478-V491 HydrophobicContact CG-CG1 3.96Å; L478-W492 HydrophobicContact CB-CZ2 4.29Å; L478-W492 HydrophobicContact CD1-CD2 3.97Å; L478-W492 HydrophobicContact CD1-CE3 3.8Å; L478-W492 HydrophobicContact CD1-CH2 3.81Å; L478-W492 HydrophobicContact CD1-CZ2 3.99Å; L478-W492 HydrophobicContact CD1-CZ3 3.72Å; L478-W492 HydrophobicContact CD2-CD2 3.94Å; L478-W492 HydrophobicContact CD2-CG 4.12Å; L478-W492 HydrophobicContact CD2-CZ2 4.05Å; L478-W492 HydrophobicContact CG-CZ2 4.34Å; L478-Y495 HydrophobicContact CD1-CD1 3.62Å; L478-Y495 HydrophobicContact CD1-CE1 4.22Å |
| 479 | T | 91.6 | Very high | 90.3 | Very high | 102 Ų | 102 | 57.7 Ų | 57.7 | 63% | 0.626 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -90.8 | -12.4 | 173 | -47.8 | 0 | 0 | 0 | 0 | 112 | E475 I477 | E475-T479 VanDerWaalsContact O-CB 3.26Å; E475-T479 WeakPolarHBondContact O-CB 3.19Å; E475-T479 PolarHBondContact O-N 3.18Å; E475-T479 PolarHBondContact O-OG1 3.33Å; I477-T479 VanDerWaalsContact C-N 3.32Å; I477-T479 PolarHBondContact O-N 3.27Å |
| 480 | S | 88.6 | Confident | 90.1 | Very high | 45 Ų | 45 | 55.1 Ų | 55.1 | 32% | 0.315 | 29% | 0.291 | S | S | . | . | trans | -81.1 | 128.3 | 179.6 | 177.1 | 0 | 0 | 0 | 0 | 110.9 | R476 I477 Q482 | R476-S480 VanDerWaalsContact O-CB 3.22Å; R476-S480 WeakPolarHBondContact O-CB 3.34Å; R476-S480 PolarHBondContact O-N 2.9Å; I477-S480 WeakPolarHBondContact O-CB 3.43Å; I477-S480 PolarHBondContact O-N 2.85Å; S480-Q482 PolarHBondContact O-N 2.92Å; S480-Q482 VanDerWaalsContact O-N 3.16Å; S480-Q482 WeakPolarHBondContact OG-CB 3.4Å; S480-Q482 WeakPolarHBondContact OG-CG 3.43Å; S480-Q482 PolarHBondContact OG-N 3.06Å | ||
| 481 | D | 86.1 | Confident | 90 | Very high | 161 Ų | 161 | 55.1 Ų | 55.1 | 86% | 0.861 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75 | 4 | 174.9 | -63.2 | -34.7 | 0 | 0 | 0 | 113.5 | ||
| 482 | Q | 88.5 | Confident | 89.8 | Confident | 103 Ų | 103 | 53.6 Ų | 53.6 | 48% | 0.481 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.1 | -35.7 | -176.5 | -60.1 | -67.1 | -32.8 | 0 | 0 | 113 | P448 N449 S480 P484 | P448-Q482 HydrophobicContact CB-CB 3.93Å; P448-Q482 HydrophobicContact CB-CG 4.13Å; N449-Q482 WeakPolarHBondContact CA-O 3.36Å; N449-Q482 VanDerWaalsContact CG-O 3.27Å; N449-Q482 PolarHBondContact OD1-O 3.36Å; S480-Q482 PolarHBondContact O-N 2.92Å; S480-Q482 VanDerWaalsContact O-N 3.16Å; S480-Q482 WeakPolarHBondContact OG-CB 3.4Å; S480-Q482 WeakPolarHBondContact OG-CG 3.43Å; S480-Q482 PolarHBondContact OG-N 3.06Å; Q482-P484 WeakPolarHBondContact O-CD 3.45Å |
| 483 | I | 86.8 | Confident | 89.6 | Confident | 7 Ų | 7 | 50.7 Ų | 50.7 | 4% | 0.036 | 26% | 0.263 | C | S | . | . | S | Bend | trans | -86.5 | 122.7 | 176.4 | -59.4 | -175.9 | 0 | 0 | 0 | 107.7 | P448 P451 A454 I477 K487 T488 | P448-I483 WeakPolarHBondContact O-CG1 3.36Å; P451-I483 HydrophobicContact CB-CD1 4.48Å; P451-I483 HydrophobicContact CB-CG2 4.34Å; A454-I483 HydrophobicContact CB-CD1 4.17Å; I477-I483 HydrophobicContact CG2-CD1 3.46Å; I477-I483 VanDerWaalsContact CG2-CD1 3.46Å; I483-K487 HydrophobicContact CG2-CB 3.93Å; I483-T488 HydrophobicContact CB-CG2 4.22Å; I483-T488 HydrophobicContact CG2-CG2 3.85Å |
| 484 | P | 85.6 | Confident | 89.4 | Confident | 46 Ų | 46 | 52.2 Ų | 52.2 | 30% | 0.299 | 27% | 0.268 | S | S | . | . | trans | -50.8 | 133.8 | 174.5 | -27 | 34.4 | 0 | 0 | 0 | 110 | Q482 E486 K487 | Q482-P484 WeakPolarHBondContact O-CD 3.45Å; P484-E486 PolarHBondContact O-N 3.41Å; P484-K487 HydrophobicContact CG-CD 4.44Å; P484-K487 PolarHBondContact O-N 3.37Å | ||
| 485 | P | 82.5 | Confident | 89.4 | Confident | 89 Ų | 89 | 52.6 Ų | 52.6 | 58% | 0.578 | 27% | 0.27 | S | S | * | . | G | 310 helix | trans | -54.5 | -26.9 | -176.5 | 21.8 | -33.5 | 0 | 0 | 0 | 111.2 | K487 T488 | P485-K487 VanDerWaalsContact C-N 3.25Å; P485-K487 PolarHBondContact O-N 2.82Å; P485-T488 PolarHBondContact O-N 3.5Å; P485-T488 PolarHBondContact O-OG1 3.19Å |
| 486 | E | 80.9 | Confident | 89.2 | Confident | 127 Ų | 127 | 50.2 Ų | 50.2 | 59% | 0.593 | 26% | 0.259 | S | S | * | . | G | 310 helix | trans | -58 | -35.1 | 176.8 | -66.3 | 166.8 | -166.6 | 0 | 0 | 115.2 | P484 R522 | P484-E486 PolarHBondContact O-N 3.41Å; E486-R522 VanDerWaalsContact CA-NH2 3.26Å; E486-R522 VanDerWaalsContact CB-NH2 3.3Å; E486-R522 PolarHBondContact O-NH1 3.17Å; E486-R522 PolarHBondContact O-NH2 3.33Å |
| 487 | K | 83.6 | Confident | 89 | Confident | 103 Ų | 103 | 48.7 Ų | 48.7 | 45% | 0.448 | 26% | 0.256 | S | S | . | . | G | 310 helix | trans | -97.9 | -6.1 | -174.1 | -70.3 | -174.4 | -179.8 | -176.2 | 0 | 113.1 | P451 I483 P484 P485 V489 | P451-K487 HydrophobicContact CB-CB 4.46Å; P451-K487 HydrophobicContact CG-CB 4.01Å; P451-K487 HydrophobicContact CG-CD 4.21Å; I483-K487 HydrophobicContact CG2-CB 3.93Å; P484-K487 HydrophobicContact CG-CD 4.44Å; P484-K487 PolarHBondContact O-N 3.37Å; P485-K487 VanDerWaalsContact C-N 3.25Å; P485-K487 PolarHBondContact O-N 2.82Å; K487-V489 PolarHBondContact O-N 2.73Å |
| 488 | T | 89.3 | Confident | 89 | Confident | 13 Ų | 13 | 48.8 Ų | 48.8 | 8% | 0.08 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.9 | -10.9 | 177.6 | 65.8 | 0 | 0 | 0 | 0 | 113.4 | I483 P485 D490 V491 W492 | I483-T488 HydrophobicContact CB-CG2 4.22Å; I483-T488 HydrophobicContact CG2-CG2 3.85Å; P485-T488 PolarHBondContact O-N 3.5Å; P485-T488 PolarHBondContact O-OG1 3.19Å; T488-D490 VanDerWaalsContact C-N 3.32Å; T488-D490 PolarHBondContact O-N 3.09Å; T488-V491 WeakPolarHBondContact O-CB 3.38Å; T488-V491 PolarHBondContact O-N 3.34Å; T488-V491 VanDerWaalsContact O-N 3.07Å; T488-W492 VanDerWaalsContact O-CD1 3.29Å; T488-W492 PolarHBondContact O-N 2.94Å |
| 489 | V | 88.1 | Confident | 89 | Confident | 7 Ų | 7 | 47.5 Ų | 47.5 | 4% | 0.042 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -51.4 | -49.2 | -179.6 | 169.1 | 0 | 0 | 0 | 0 | 111.6 | K487 V491 W492 N493 F519 L558 | K487-V489 PolarHBondContact O-N 2.73Å; V489-V491 VanDerWaalsContact C-N 3.32Å; V489-V491 PolarHBondContact O-N 3.17Å; V489-W492 PolarHBondContact O-N 3.43Å; V489-N493 PolarHBondContact O-N 3.18Å; V489-N493 PolarHBondContact O-ND2 2.85Å; V489-F519 HydrophobicContact CB-CZ 4.12Å; V489-F519 HydrophobicContact CG1-CE1 4.16Å; V489-F519 HydrophobicContact CG1-CZ 3.84Å; V489-F519 HydrophobicContact CG2-CE1 4.31Å; V489-F519 HydrophobicContact CG2-CE2 4.41Å; V489-F519 HydrophobicContact CG2-CZ 3.89Å; V489-L558 WeakPolarHBondContact CG1-O 3.35Å |
| 490 | D | 87.8 | Confident | 89 | Confident | 28 Ų | 28 | 45.9 Ų | 45.9 | 15% | 0.15 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -70.4 | -30.6 | -178.2 | -62.8 | -50.5 | 0 | 0 | 0 | 112.3 | L455 T488 R494 T560 | L455-D490 HydrophobicContact CD1-CB 4.02Å; T488-D490 VanDerWaalsContact C-N 3.32Å; T488-D490 PolarHBondContact O-N 3.09Å; D490-R494 VanDerWaalsContact O-CB 3.27Å; D490-R494 WeakPolarHBondContact O-CB 3.34Å; D490-R494 PolarHBondContact O-N 3.01Å; D490-T560 PolarHBondContact OD1-N 3.38Å; D490-T560 PolarHBondContact OD1-OG1 3.45Å; D490-T560 WeakPolarHBondContact OD2-CB 3.48Å; D490-T560 WeakPolarHBondContact OD2-CG2 3.46Å; D490-T560 PolarHBondContact OD2-OG1 3.13Å |
| 491 | V | 92.8 | Very high | 89.1 | Confident | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -66.9 | -44.4 | 173.1 | -175 | 0 | 0 | 0 | 0 | 110.5 | L455 I458 F474 I477 L478 T488 V489 R494 Y495 | L455-V491 HydrophobicContact CD2-CG2 4.25Å; L455-V491 HydrophobicContact CG-CG2 4.4Å; I458-V491 HydrophobicContact CD1-CG1 4.37Å; F474-V491 HydrophobicContact CD1-CG1 4.14Å; I477-V491 HydrophobicContact CG2-CG1 4.08Å; I477-V491 HydrophobicContact CG2-CG2 4.38Å; L478-V491 HydrophobicContact CD1-CG1 4.44Å; L478-V491 HydrophobicContact CD2-CB 4.03Å; L478-V491 HydrophobicContact CD2-CG1 3.71Å; L478-V491 HydrophobicContact CG-CG1 3.96Å; T488-V491 WeakPolarHBondContact O-CB 3.38Å; T488-V491 PolarHBondContact O-N 3.34Å; T488-V491 VanDerWaalsContact O-N 3.07Å; V489-V491 VanDerWaalsContact C-N 3.32Å; V489-V491 PolarHBondContact O-N 3.17Å; V491-R494 PolarHBondContact O-N 3.12Å; V491-Y495 WeakPolarHBondContact O-CB 3.32Å; V491-Y495 PolarHBondContact O-N 2.96Å |
| 492 | W | 92.6 | Very high | 89.3 | Confident | 12 Ų | 12 | 44.8 Ų | 44.8 | 5% | 0.045 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -62 | -43.3 | 175.7 | -82.3 | 115.1 | 0 | 0 | 0 | 112.8 | L478 T488 V489 Y495 L496 I511 R514 R515 V518 F519 | L478-W492 HydrophobicContact CB-CZ2 4.29Å; L478-W492 HydrophobicContact CD1-CD2 3.97Å; L478-W492 HydrophobicContact CD1-CE3 3.8Å; L478-W492 HydrophobicContact CD1-CH2 3.81Å; L478-W492 HydrophobicContact CD1-CZ2 3.99Å; L478-W492 HydrophobicContact CD1-CZ3 3.72Å; L478-W492 HydrophobicContact CD2-CD2 3.94Å; L478-W492 HydrophobicContact CD2-CG 4.12Å; L478-W492 HydrophobicContact CD2-CZ2 4.05Å; L478-W492 HydrophobicContact CG-CZ2 4.34Å; T488-W492 VanDerWaalsContact O-CD1 3.29Å; T488-W492 PolarHBondContact O-N 2.94Å; V489-W492 PolarHBondContact O-N 3.43Å; W492-Y495 HydrophobicContact CZ3-CD1 4.47Å; W492-Y495 PolarHBondContact O-N 3.37Å; W492-L496 WeakPolarHBondContact O-CB 3.27Å; W492-L496 PolarHBondContact O-N 2.94Å; W492-I511 HydrophobicContact CE3-CG2 4.33Å; W492-I511 HydrophobicContact CZ3-CG2 4.21Å; W492-R514 HydrophobicContact CH2-CB 3.76Å; W492-R514 HydrophobicContact CZ3-CB 4.04Å; W492-R515 HydrophobicContact CB-CG 3.94Å; W492-R515 HydrophobicContact CD2-CB 4.18Å; W492-R515 HydrophobicContact CD2-CG 4.29Å; W492-R515 HydrophobicContact CE3-CB 3.87Å; W492-R515 HydrophobicContact CE3-CG 4.37Å; W492-R515 HydrophobicContact CG-CG 4.14Å; W492-R515 HydrophobicContact CZ3-CB 4.43Å; W492-V518 HydrophobicContact CZ2-CG2 4.17Å; W492-F519 HydrophobicContact CB-CE2 4.17Å; W492-F519 HydrophobicContact CG-CE2 4.25Å |
| 493 | N | 89.9 | Confident | 89.3 | Confident | 16 Ų | 16 | 41.2 Ų | 41.2 | 9% | 0.086 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -61.9 | -47.9 | 176.9 | -68.6 | -21.4 | 0 | 0 | 0 | 110.8 | V489 Y495 L496 E497 R515 L558 | V489-N493 PolarHBondContact O-N 3.18Å; V489-N493 PolarHBondContact O-ND2 2.85Å; N493-Y495 VanDerWaalsContact C-N 3.29Å; N493-Y495 PolarHBondContact O-N 3.46Å; N493-L496 PolarHBondContact O-N 3.01Å; N493-E497 WeakPolarHBondContact O-CB 3.25Å; N493-E497 PolarHBondContact O-N 3.16Å; N493-R515 PolarHBondContact OD1-NH1 3.08Å; N493-L558 PolarHBondContact ND2-O 3.05Å |
| 494 | R | 91.7 | Very high | 89.5 | Confident | 37 Ų | 37 | 44.1 Ų | 44.1 | 14% | 0.14 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -63.9 | -36.4 | 179.7 | -173.1 | 59.1 | -176.5 | 110.6 | -8.7 | 112.2 | L455 I458 E459 I462 F474 D490 V491 E497 Y498 | L455-R494 HydrophobicContact CD2-CB 3.99Å; L455-R494 HydrophobicContact CD2-CG 4.22Å; I458-R494 HydrophobicContact CG2-CG 4.44Å; E459-R494 WeakPolarHBondContact OE1-CD 3.49Å; E459-R494 IonicContact OE1-CZ 3.03Å; E459-R494 IonicContact OE1-NE 2.95Å; E459-R494 PolarHBondContact OE1-NE 3.2Å; E459-R494 IonicContact OE1-NH2 3.5Å; E459-R494 PolarHBondContact OE1-NH2 2.82Å; E459-R494 IonicContact OE2-CZ 2.78Å; E459-R494 IonicContact OE2-NE 3.69Å; E459-R494 IonicContact OE2-NH2 2.86Å; E459-R494 PolarHBondContact OE2-NH2 3.25Å; I462-R494 VanDerWaalsContact CD1-CZ 3.49Å; F474-R494 HydrophobicContact CE1-CB 4.41Å; F474-R494 HydrophobicContact CE1-CG 4.32Å; F474-R494 HydrophobicContact CZ-CG 4.19Å; D490-R494 VanDerWaalsContact O-CB 3.27Å; D490-R494 WeakPolarHBondContact O-CB 3.34Å; D490-R494 PolarHBondContact O-N 3.01Å; V491-R494 PolarHBondContact O-N 3.12Å; R494-E497 IonicContact NH1-OE2 3.36Å; R494-Y498 VanDerWaalsContact O-CB 3.31Å; R494-Y498 WeakPolarHBondContact O-CB 3.45Å; R494-Y498 PolarHBondContact O-N 2.65Å |
| 495 | Y | 94.6 | Very high | 89.7 | Confident | 9 Ų | 9 | 49.5 Ų | 49.5 | 4% | 0.035 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -67.7 | -45.5 | 177.3 | -167.3 | -167 | 0 | 0 | 0 | 112.1 | F474 E475 L478 V491 W492 N493 E497 Y498 E499 I511 | F474-Y495 HydrophobicContact CB-CD1 3.9Å; F474-Y495 HydrophobicContact CB-CD2 3.94Å; F474-Y495 HydrophobicContact CB-CE1 3.87Å; F474-Y495 HydrophobicContact CB-CE2 3.93Å; F474-Y495 HydrophobicContact CB-CG 3.93Å; F474-Y495 HydrophobicContact CD1-CD1 4.28Å; F474-Y495 AromaticContact CD1-CD2 3.95Å; F474-Y495 HydrophobicContact CD1-CD2 3.95Å; F474-Y495 AromaticContact CD1-CG 3.68Å; F474-Y495 HydrophobicContact CD1-CG 3.68Å; F474-Y495 AromaticContact CD2-CD2 3.38Å; F474-Y495 HydrophobicContact CD2-CD2 3.38Å; F474-Y495 AromaticContact CD2-CE2 3.68Å; F474-Y495 HydrophobicContact CD2-CE2 3.68Å; F474-Y495 HydrophobicContact CD2-CG 4.01Å; F474-Y495 HydrophobicContact CE1-CD2 4.24Å; F474-Y495 HydrophobicContact CE1-CG 4.09Å; F474-Y495 AromaticContact CE2-CD2 3.72Å; F474-Y495 HydrophobicContact CE2-CD2 3.72Å; F474-Y495 HydrophobicContact CE2-CE2 4.33Å; F474-Y495 HydrophobicContact CE2-CG 4.39Å; F474-Y495 HydrophobicContact CG-CD1 4.12Å; F474-Y495 AromaticContact CG-CD2 3.51Å; F474-Y495 HydrophobicContact CG-CD2 3.51Å; F474-Y495 HydrophobicContact CG-CE1 4.45Å; F474-Y495 AromaticContact CG-CE2 3.91Å; F474-Y495 HydrophobicContact CG-CE2 3.91Å; F474-Y495 AromaticContact CG-CG 3.63Å; F474-Y495 HydrophobicContact CG-CG 3.63Å; F474-Y495 HydrophobicContact CZ-CD2 4.13Å; F474-Y495 HydrophobicContact CZ-CG 4.42Å; E475-Y495 PolarHBondContact OE1-OH 2.86Å; L478-Y495 HydrophobicContact CD1-CD1 3.62Å; L478-Y495 HydrophobicContact CD1-CE1 4.22Å; V491-Y495 WeakPolarHBondContact O-CB 3.32Å; V491-Y495 PolarHBondContact O-N 2.96Å; W492-Y495 HydrophobicContact CZ3-CD1 4.47Å; W492-Y495 PolarHBondContact O-N 3.37Å; N493-Y495 VanDerWaalsContact C-N 3.29Å; N493-Y495 PolarHBondContact O-N 3.46Å; Y495-E497 VanDerWaalsContact C-N 3.34Å; Y495-E497 PolarHBondContact O-N 3.16Å; Y495-Y498 PolarHBondContact O-N 2.97Å; Y495-E499 HydrophobicContact CD2-CG 3.91Å; Y495-E499 HydrophobicContact CE2-CG 3.61Å; Y495-E499 PolarHBondContact O-N 3.44Å; Y495-I511 HydrophobicContact CD1-CD1 4.14Å; Y495-I511 HydrophobicContact CD1-CG1 4.3Å; Y495-I511 HydrophobicContact CD1-CG2 4.09Å; Y495-I511 HydrophobicContact CD2-CD1 4.05Å; Y495-I511 HydrophobicContact CE1-CD1 3.74Å; Y495-I511 HydrophobicContact CE1-CG1 3.9Å; Y495-I511 HydrophobicContact CE2-CD1 3.62Å; Y495-I511 HydrophobicContact CG-CD1 4.29Å; Y495-I511 HydrophobicContact CG-CG2 4.37Å; Y495-I511 VanDerWaalsContact CZ-CD1 3.45Å |
| 496 | L | 91.4 | Very high | 90.2 | Very high | 9 Ų | 9 | 52.9 Ų | 52.9 | 5% | 0.047 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -61.6 | -44.5 | 177.3 | -172.6 | 71.9 | 0 | 0 | 0 | 111.2 | W492 N493 E499 S500 L508 I511 K512 R515 Q534 | W492-L496 WeakPolarHBondContact O-CB 3.27Å; W492-L496 PolarHBondContact O-N 2.94Å; N493-L496 PolarHBondContact O-N 3.01Å; L496-E499 PolarHBondContact O-N 3.13Å; L496-S500 PolarHBondContact O-N 3.29Å; L496-L508 HydrophobicContact CD1-CD1 3.61Å; L496-L508 HydrophobicContact CG-CD1 4.28Å; L496-I511 HydrophobicContact CB-CG2 4.41Å; L496-I511 HydrophobicContact CD1-CG2 4.05Å; L496-K512 HydrophobicContact CD1-CB 4.17Å; L496-R515 VanDerWaalsContact CD2-NH1 3.3Å; L496-Q534 HydrophobicContact CD2-CB 4.47Å; L496-Q534 HydrophobicContact CD2-CG 4.25Å |
| 497 | E | 90.8 | Very high | 90.7 | Very high | 73 Ų | 73 | 52.4 Ų | 52.4 | 34% | 0.341 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -61.3 | -48.2 | 175.8 | 176.9 | 178.7 | -150.4 | 0 | 0 | 111.3 | N493 R494 Y495 E499 S500 Y501 | N493-E497 WeakPolarHBondContact O-CB 3.25Å; N493-E497 PolarHBondContact O-N 3.16Å; R494-E497 IonicContact NH1-OE2 3.36Å; Y495-E497 VanDerWaalsContact C-N 3.34Å; Y495-E497 PolarHBondContact O-N 3.16Å; E497-E499 PolarHBondContact O-N 3.1Å; E497-S500 WeakPolarHBondContact O-CB 3.5Å; E497-S500 PolarHBondContact O-N 3.48Å; E497-S500 VanDerWaalsContact O-N 3.1Å; E497-S500 PolarHBondContact O-OG 2.8Å; E497-Y501 HydrophobicContact CG-CD2 4.03Å; E497-Y501 HydrophobicContact CG-CE2 3.38Å; E497-Y501 WeakPolarHBondContact O-CD2 3.29Å; E497-Y501 PolarHBondContact O-N 3.04Å; E497-Y501 PolarHBondContact OE1-OH 3.38Å |
| 498 | Y | 93.3 | Very high | 91 | Very high | 9 Ų | 9 | 49 Ų | 49 | 4% | 0.035 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -55.3 | -49.8 | 178.1 | 174.2 | -106.8 | 0 | 0 | 0 | 112.1 | I462 K467 T470 R471 F474 R494 Y495 S500 Y501 V502 | I462-Y498 HydrophobicContact CD1-CD2 3.65Å; I462-Y498 HydrophobicContact CD1-CE2 4.14Å; I462-Y498 HydrophobicContact CD1-CG 4.26Å; I462-Y498 HydrophobicContact CG1-CD2 3.84Å; I462-Y498 HydrophobicContact CG1-CE2 3.78Å; I462-Y498 HydrophobicContact CG2-CE2 4.49Å; K467-Y498 WeakPolarHBondContact CA-OH 3.2Å; T470-Y498 HydrophobicContact CG2-CD1 4.32Å; T470-Y498 HydrophobicContact CG2-CE1 3.85Å; T470-Y498 HydrophobicContact CG2-CE2 4.05Å; R471-Y498 HydrophobicContact CG-CE1 4.23Å; F474-Y498 HydrophobicContact CD2-CD1 4.39Å; F474-Y498 AromaticContact CE2-CD1 3.75Å; F474-Y498 HydrophobicContact CE2-CD1 3.75Å; F474-Y498 HydrophobicContact CE2-CE1 4.42Å; F474-Y498 AromaticContact CE2-CG 3.96Å; F474-Y498 HydrophobicContact CE2-CG 3.96Å; R494-Y498 VanDerWaalsContact O-CB 3.31Å; R494-Y498 WeakPolarHBondContact O-CB 3.45Å; R494-Y498 PolarHBondContact O-N 2.65Å; Y495-Y498 PolarHBondContact O-N 2.97Å; Y498-S500 VanDerWaalsContact C-N 3.26Å; Y498-S500 PolarHBondContact O-N 3.09Å; Y498-Y501 PolarHBondContact O-N 3.47Å; Y498-Y501 VanDerWaalsContact O-N 3.08Å; Y498-V502 HydrophobicContact CD1-CG2 3.93Å; Y498-V502 HydrophobicContact CD2-CG2 4.16Å; Y498-V502 HydrophobicContact CE1-CG2 3.45Å; Y498-V502 VanDerWaalsContact CE1-CG2 3.45Å; Y498-V502 HydrophobicContact CE2-CG1 4.12Å; Y498-V502 HydrophobicContact CE2-CG2 3.72Å; Y498-V502 HydrophobicContact CG-CG2 4.26Å; Y498-V502 WeakPolarHBondContact O-CG2 3.48Å; Y498-V502 PolarHBondContact O-N 3.26Å |
| 499 | E | 93 | Very high | 91.1 | Very high | 2 Ų | 2 | 55.8 Ų | 55.8 | 1% | 0.009 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -72 | -20.1 | -179.9 | -67.8 | -77.5 | 178 | 0 | 0 | 112.9 | R471 Y495 L496 E497 Y501 G503 I511 | R471-E499 WeakPolarHBondContact CD-OE1 3.5Å; R471-E499 VanDerWaalsContact CG-OE1 3.29Å; R471-E499 WeakPolarHBondContact CG-OE1 3.29Å; R471-E499 IonicContact CZ-OE1 3.85Å; R471-E499 IonicContact CZ-OE2 3.53Å; R471-E499 IonicContact NE-OE1 2.68Å; R471-E499 PolarHBondContact NE-OE1 3.44Å; R471-E499 IonicContact NE-OE2 2.73Å; R471-E499 IonicContact NH2-OE1 2.66Å; R471-E499 IonicContact NH2-OE2 3.86Å; R471-E499 PolarHBondContact NH2-OE2 2.8Å; Y495-E499 HydrophobicContact CD2-CG 3.91Å; Y495-E499 HydrophobicContact CE2-CG 3.61Å; Y495-E499 PolarHBondContact O-N 3.44Å; L496-E499 PolarHBondContact O-N 3.13Å; E497-E499 PolarHBondContact O-N 3.1Å; E499-Y501 PolarHBondContact O-N 2.91Å; E499-G503 WeakPolarHBondContact O-CA 3.4Å; E499-G503 PolarHBondContact O-N 3.44Å; E499-G503 WeakPolarHBondContact OE2-CA 3.46Å; E499-I511 HydrophobicContact CB-CD1 3.99Å; E499-I511 HydrophobicContact CG-CD1 3.47Å; E499-I511 VanDerWaalsContact CG-CD1 3.47Å |
| 500 | S | 90.9 | Very high | 91.4 | Very high | 68 Ų | 68 | 58 Ų | 58 | 48% | 0.476 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -66.4 | -28.6 | 169.2 | 81.3 | 0 | 0 | 0 | 0 | 112.6 | L496 E497 Y498 | L496-S500 PolarHBondContact O-N 3.29Å; E497-S500 WeakPolarHBondContact O-CB 3.5Å; E497-S500 PolarHBondContact O-N 3.48Å; E497-S500 VanDerWaalsContact O-N 3.1Å; E497-S500 PolarHBondContact O-OG 2.8Å; Y498-S500 VanDerWaalsContact C-N 3.26Å; Y498-S500 PolarHBondContact O-N 3.09Å |
| 501 | Y | 90.8 | Very high | 91.6 | Very high | 137 Ų | 137 | 56.9 Ų | 56.9 | 54% | 0.537 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -89.3 | -37.1 | 177.8 | -64 | -57.8 | 0 | 0 | 0 | 113.6 | E497 Y498 E499 H537 | E497-Y501 HydrophobicContact CG-CD2 4.03Å; E497-Y501 HydrophobicContact CG-CE2 3.38Å; E497-Y501 WeakPolarHBondContact O-CD2 3.29Å; E497-Y501 PolarHBondContact O-N 3.04Å; E497-Y501 PolarHBondContact OE1-OH 3.38Å; Y498-Y501 PolarHBondContact O-N 3.47Å; Y498-Y501 VanDerWaalsContact O-N 3.08Å; E499-Y501 PolarHBondContact O-N 2.91Å; Y501-H537 PolarHBondContact OH-CE1 3.42Å |
| 502 | V | 91.3 | Very high | 91.5 | Very high | 45 Ų | 45 | 60.8 Ų | 60.8 | 27% | 0.273 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -119.2 | -12.5 | -171.1 | -54.2 | 0 | 0 | 0 | 0 | 115.3 | Y498 | Y498-V502 HydrophobicContact CD1-CG2 3.93Å; Y498-V502 HydrophobicContact CD2-CG2 4.16Å; Y498-V502 HydrophobicContact CE1-CG2 3.45Å; Y498-V502 VanDerWaalsContact CE1-CG2 3.45Å; Y498-V502 HydrophobicContact CE2-CG1 4.12Å; Y498-V502 HydrophobicContact CE2-CG2 3.72Å; Y498-V502 HydrophobicContact CG-CG2 4.26Å; Y498-V502 WeakPolarHBondContact O-CG2 3.48Å; Y498-V502 PolarHBondContact O-N 3.26Å |
| 503 | G | 88.2 | Confident | 91.5 | Very high | 29 Ų | 29 | 68.3 Ų | 68.3 | 30% | 0.299 | 31% | 0.311 | S | S | . | . | S | Bend | trans | -89.5 | 172.8 | -173 | 0 | 0 | 0 | 0 | 0 | 113.3 | E499 | E499-G503 WeakPolarHBondContact O-CA 3.4Å; E499-G503 PolarHBondContact O-N 3.44Å; E499-G503 WeakPolarHBondContact OE2-CA 3.46Å |
| 504 | D | 91.1 | Very high | 91.6 | Very high | 68 Ų | 68 | 70.8 Ų | 70.8 | 36% | 0.364 | 32% | 0.319 | S | S | . | . | trans | -94.6 | 165.1 | 167.2 | 61.2 | 52.9 | 0 | 0 | 0 | 110.4 | K506 R507 L508 | D504-K506 PolarHBondContact O-N 3.35Å; D504-K506 WeakPolarHBondContact OD1-CA 3.45Å; D504-K506 VanDerWaalsContact OD1-CB 3.32Å; D504-K506 WeakPolarHBondContact OD1-CB 3.25Å; D504-K506 PolarHBondContact OD1-N 3.2Å; D504-R507 PolarHBondContact O-N 2.82Å; D504-R507 PolarHBondContact OD1-N 2.67Å; D504-R507 IonicContact OD2-CZ 3.22Å; D504-R507 IonicContact OD2-NH1 3.97Å; D504-R507 PolarHBondContact OD2-NH1 3.4Å; D504-L508 PolarHBondContact O-N 2.77Å | ||
| 505 | F | 89.1 | Confident | 91.6 | Very high | 159 Ų | 159 | 69.3 Ų | 69.3 | 70% | 0.697 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -59.2 | -30.8 | 179.8 | -175.8 | -100 | 0 | 0 | 0 | 113.1 | R509 | F505-R509 VanDerWaalsContact O-CB 3.27Å; F505-R509 WeakPolarHBondContact O-CB 3.11Å; F505-R509 PolarHBondContact O-N 3.03Å |
| 506 | K | 93.4 | Very high | 91.3 | Very high | 159 Ų | 159 | 70.5 Ų | 70.5 | 69% | 0.691 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -68.4 | -45.4 | -178.7 | -175.3 | -177.3 | 178.1 | -178.2 | 0 | 110.9 | D504 R509 D510 | D504-K506 PolarHBondContact O-N 3.35Å; D504-K506 WeakPolarHBondContact OD1-CA 3.45Å; D504-K506 VanDerWaalsContact OD1-CB 3.32Å; D504-K506 WeakPolarHBondContact OD1-CB 3.25Å; D504-K506 PolarHBondContact OD1-N 3.2Å; K506-R509 PolarHBondContact O-N 3.03Å; K506-D510 PolarHBondContact O-N 3.24Å; K506-D510 VanDerWaalsContact O-N 3.09Å |
| 507 | R | 90.2 | Very high | 91.3 | Very high | 118 Ų | 118 | 76.5 Ų | 76.5 | 45% | 0.445 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -65.3 | -47.1 | 175.2 | -74.5 | -174.7 | 169.9 | 101.7 | -6.7 | 111.6 | D504 R509 D510 I511 | D504-R507 PolarHBondContact O-N 2.82Å; D504-R507 PolarHBondContact OD1-N 2.67Å; D504-R507 IonicContact OD2-CZ 3.22Å; D504-R507 IonicContact OD2-NH1 3.97Å; D504-R507 PolarHBondContact OD2-NH1 3.4Å; R507-R509 VanDerWaalsContact C-N 3.26Å; R507-R509 PolarHBondContact O-N 3.46Å; R507-D510 PolarHBondContact O-N 2.94Å; R507-D510 VanDerWaalsContact O-N 3.08Å; R507-I511 WeakPolarHBondContact O-CG1 3.48Å; R507-I511 PolarHBondContact O-N 3.38Å |
| 508 | L | 90.9 | Very high | 91.2 | Very high | 31 Ų | 31 | 75.2 Ų | 75.2 | 16% | 0.162 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -55.8 | -44.5 | 177.2 | -176.7 | 66.4 | 0 | 0 | 0 | 111.2 | L496 D504 K512 | L496-L508 HydrophobicContact CD1-CD1 3.61Å; L496-L508 HydrophobicContact CG-CD1 4.28Å; D504-L508 PolarHBondContact O-N 2.77Å; L508-K512 VanDerWaalsContact O-CB 3.24Å; L508-K512 WeakPolarHBondContact O-CB 3.34Å; L508-K512 PolarHBondContact O-N 3.45Å |
| 509 | R | 91.4 | Very high | 90.9 | Very high | 156 Ų | 156 | 74.9 Ų | 74.9 | 59% | 0.589 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -63.7 | -40.4 | 176.8 | -173 | 178.9 | 69.5 | 173.2 | 1.9 | 112.6 | F505 K506 R507 R513 | F505-R509 VanDerWaalsContact O-CB 3.27Å; F505-R509 WeakPolarHBondContact O-CB 3.11Å; F505-R509 PolarHBondContact O-N 3.03Å; K506-R509 PolarHBondContact O-N 3.03Å; R507-R509 VanDerWaalsContact C-N 3.26Å; R507-R509 PolarHBondContact O-N 3.46Å; R509-R513 WeakPolarHBondContact O-CB 3.26Å; R509-R513 PolarHBondContact O-N 2.68Å |
| 510 | D | 93.8 | Very high | 90.6 | Very high | 53 Ų | 53 | 80.6 Ų | 80.6 | 28% | 0.283 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -64.9 | -47.9 | 178.5 | -176.7 | 57.7 | 0 | 0 | 0 | 112.1 | K506 R507 K512 R513 R514 | K506-D510 PolarHBondContact O-N 3.24Å; K506-D510 VanDerWaalsContact O-N 3.09Å; R507-D510 PolarHBondContact O-N 2.94Å; R507-D510 VanDerWaalsContact O-N 3.08Å; D510-K512 VanDerWaalsContact C-N 3.34Å; D510-K512 PolarHBondContact O-N 2.95Å; D510-R513 WeakPolarHBondContact O-CB 3.49Å; D510-R513 PolarHBondContact O-N 2.87Å; D510-R513 VanDerWaalsContact O-N 3.16Å; D510-R513 IonicContact OD1-CZ 3.04Å; D510-R513 IonicContact OD1-NE 2.72Å; D510-R513 IonicContact OD1-NH2 3.59Å; D510-R513 PolarHBondContact OD1-NH2 3.48Å; D510-R514 WeakPolarHBondContact O-CG 3.42Å; D510-R514 PolarHBondContact O-N 3.43Å; D510-R514 WeakPolarHBondContact OD2-CD 3.35Å |
| 511 | I | 92.4 | Very high | 90.4 | Very high | 4 Ų | 4 | 84 Ų | 84 | 2% | 0.021 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -63.2 | -42.7 | 177.8 | -66.5 | 164.3 | 0 | 0 | 0 | 110.5 | W492 Y495 L496 E499 R507 R513 R514 R515 | W492-I511 HydrophobicContact CE3-CG2 4.33Å; W492-I511 HydrophobicContact CZ3-CG2 4.21Å; Y495-I511 HydrophobicContact CD1-CD1 4.14Å; Y495-I511 HydrophobicContact CD1-CG1 4.3Å; Y495-I511 HydrophobicContact CD1-CG2 4.09Å; Y495-I511 HydrophobicContact CD2-CD1 4.05Å; Y495-I511 HydrophobicContact CE1-CD1 3.74Å; Y495-I511 HydrophobicContact CE1-CG1 3.9Å; Y495-I511 HydrophobicContact CE2-CD1 3.62Å; Y495-I511 HydrophobicContact CG-CD1 4.29Å; Y495-I511 HydrophobicContact CG-CG2 4.37Å; Y495-I511 VanDerWaalsContact CZ-CD1 3.45Å; L496-I511 HydrophobicContact CB-CG2 4.41Å; L496-I511 HydrophobicContact CD1-CG2 4.05Å; E499-I511 HydrophobicContact CB-CD1 3.99Å; E499-I511 HydrophobicContact CG-CD1 3.47Å; E499-I511 VanDerWaalsContact CG-CD1 3.47Å; R507-I511 WeakPolarHBondContact O-CG1 3.48Å; R507-I511 PolarHBondContact O-N 3.38Å; I511-R513 VanDerWaalsContact C-N 3.31Å; I511-R513 PolarHBondContact O-N 3.29Å; I511-R514 PolarHBondContact O-N 3.39Å; I511-R515 WeakPolarHBondContact O-CB 3.46Å; I511-R515 PolarHBondContact O-N 3.13Å |
| 512 | K | 90.4 | Very high | 90 | Very high | 82 Ų | 82 | 82.1 Ų | 82.1 | 36% | 0.357 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -56.7 | -44.8 | 174.1 | -178.8 | 175.7 | 176.1 | 173.3 | 0 | 111.6 | L496 L508 D510 S516 | L496-K512 HydrophobicContact CD1-CB 4.17Å; L508-K512 VanDerWaalsContact O-CB 3.24Å; L508-K512 WeakPolarHBondContact O-CB 3.34Å; L508-K512 PolarHBondContact O-N 3.45Å; D510-K512 VanDerWaalsContact C-N 3.34Å; D510-K512 PolarHBondContact O-N 2.95Å; K512-S516 WeakPolarHBondContact O-CB 3.4Å; K512-S516 PolarHBondContact O-N 3.4Å |
| 513 | R | 92.2 | Very high | 89.6 | Confident | 171 Ų | 171 | 82.7 Ų | 82.7 | 65% | 0.645 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -63.5 | -45.8 | 177.7 | -179.7 | -178.9 | 63.4 | 169.7 | -2.4 | 111.8 | R509 D510 I511 S516 K517 | R509-R513 WeakPolarHBondContact O-CB 3.26Å; R509-R513 PolarHBondContact O-N 2.68Å; D510-R513 WeakPolarHBondContact O-CB 3.49Å; D510-R513 PolarHBondContact O-N 2.87Å; D510-R513 VanDerWaalsContact O-N 3.16Å; D510-R513 IonicContact OD1-CZ 3.04Å; D510-R513 IonicContact OD1-NE 2.72Å; D510-R513 IonicContact OD1-NH2 3.59Å; D510-R513 PolarHBondContact OD1-NH2 3.48Å; I511-R513 VanDerWaalsContact C-N 3.31Å; I511-R513 PolarHBondContact O-N 3.29Å; R513-S516 PolarHBondContact O-N 3.18Å; R513-K517 PolarHBondContact O-N 3.45Å |
| 514 | R | 92.8 | Very high | 89.4 | Confident | 67 Ų | 67 | 83 Ų | 83 | 25% | 0.253 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -63.7 | -48.8 | 178.5 | -70.5 | 169.5 | 61.5 | -161.6 | -0.7 | 111.7 | E475 W492 D510 I511 S516 K517 V518 | E475-R514 VanDerWaalsContact CD-NH1 3.31Å; E475-R514 IonicContact OE1-CZ 2.73Å; E475-R514 IonicContact OE1-NH1 3.74Å; E475-R514 PolarHBondContact OE1-NH1 3.26Å; E475-R514 IonicContact OE1-NH2 2.93Å; E475-R514 IonicContact OE2-CZ 3.69Å; E475-R514 VanDerWaalsContact OE2-CZ 3.32Å; E475-R514 IonicContact OE2-NH1 3.32Å; E475-R514 PolarHBondContact OE2-NH1 2.86Å; E475-R514 IonicContact OE2-NH2 3.25Å; E475-R514 PolarHBondContact OE2-NH2 3.44Å; W492-R514 HydrophobicContact CH2-CB 3.76Å; W492-R514 HydrophobicContact CZ3-CB 4.04Å; D510-R514 WeakPolarHBondContact O-CG 3.42Å; D510-R514 PolarHBondContact O-N 3.43Å; D510-R514 WeakPolarHBondContact OD2-CD 3.35Å; I511-R514 PolarHBondContact O-N 3.39Å; R514-S516 VanDerWaalsContact C-N 3.35Å; R514-S516 PolarHBondContact O-N 3.32Å; R514-K517 WeakPolarHBondContact O-CB 3.38Å; R514-K517 PolarHBondContact O-N 3.27Å; R514-V518 PolarHBondContact O-N 3.04Å; R514-V518 VanDerWaalsContact O-N 3.15Å |
| 515 | R | 91.1 | Very high | 88.9 | Confident | 7 Ų | 7 | 85.4 Ų | 85.4 | 3% | 0.026 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -56.3 | -48.5 | 174 | -173.8 | -177.1 | 111.2 | 162.8 | 5.8 | 111.2 | W492 N493 L496 I511 K517 V518 F519 D533 | W492-R515 HydrophobicContact CB-CG 3.94Å; W492-R515 HydrophobicContact CD2-CB 4.18Å; W492-R515 HydrophobicContact CD2-CG 4.29Å; W492-R515 HydrophobicContact CE3-CB 3.87Å; W492-R515 HydrophobicContact CE3-CG 4.37Å; W492-R515 HydrophobicContact CG-CG 4.14Å; W492-R515 HydrophobicContact CZ3-CB 4.43Å; N493-R515 PolarHBondContact OD1-NH1 3.08Å; L496-R515 VanDerWaalsContact CD2-NH1 3.3Å; I511-R515 WeakPolarHBondContact O-CB 3.46Å; I511-R515 PolarHBondContact O-N 3.13Å; R515-K517 VanDerWaalsContact C-N 3.28Å; R515-K517 PolarHBondContact O-N 2.87Å; R515-V518 PolarHBondContact O-N 2.96Å; R515-F519 HydrophobicContact CG-CD2 3.79Å; R515-F519 HydrophobicContact CG-CE2 3.61Å; R515-F519 HydrophobicContact CG-CZ 4.24Å; R515-F519 WeakPolarHBondContact O-CB 3.34Å; R515-F519 WeakPolarHBondContact O-CD2 3.28Å; R515-F519 PolarHBondContact O-N 3.06Å; R515-D533 IonicContact CZ-OD2 3.8Å; R515-D533 VanDerWaalsContact CZ-OD2 3.25Å; R515-D533 IonicContact NH1-OD2 2.83Å; R515-D533 PolarHBondContact NH1-OD2 3.05Å; R515-D533 IonicContact NH2-OD2 2.74Å; R515-D533 PolarHBondContact NH2-OD2 3.08Å |
| 516 | S | 89.6 | Confident | 88.6 | Confident | 34 Ų | 34 | 78.9 Ų | 78.9 | 24% | 0.238 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -60.7 | -36.4 | 179.9 | -173.3 | 0 | 0 | 0 | 0 | 112.5 | K512 R513 R514 K520 | K512-S516 WeakPolarHBondContact O-CB 3.4Å; K512-S516 PolarHBondContact O-N 3.4Å; R513-S516 PolarHBondContact O-N 3.18Å; R514-S516 VanDerWaalsContact C-N 3.35Å; R514-S516 PolarHBondContact O-N 3.32Å; S516-K520 WeakPolarHBondContact O-CB 3.31Å; S516-K520 PolarHBondContact O-N 2.93Å |
| 517 | K | 90.3 | Very high | 88.2 | Confident | 135 Ų | 135 | 75.6 Ų | 75.6 | 59% | 0.587 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -63.3 | -52.7 | 175.5 | -177.8 | -179.8 | 174.2 | -174.5 | 0 | 111.1 | R513 R514 R515 F519 K520 E521 | R513-K517 PolarHBondContact O-N 3.45Å; R514-K517 WeakPolarHBondContact O-CB 3.38Å; R514-K517 PolarHBondContact O-N 3.27Å; R515-K517 VanDerWaalsContact C-N 3.28Å; R515-K517 PolarHBondContact O-N 2.87Å; K517-F519 VanDerWaalsContact C-N 3.31Å; K517-F519 PolarHBondContact O-N 3.31Å; K517-K520 PolarHBondContact O-N 3.12Å; K517-E521 WeakPolarHBondContact CE-OE1 3.45Å; K517-E521 WeakPolarHBondContact CG-OE1 3.4Å; K517-E521 WeakPolarHBondContact O-CG 3.37Å; K517-E521 PolarHBondContact O-N 2.81Å |
| 518 | V | 89 | Confident | 87.9 | Confident | 45 Ų | 45 | 72.6 Ų | 72.6 | 27% | 0.273 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -59 | -42.7 | 179.5 | 175.8 | 0 | 0 | 0 | 0 | 111.4 | W492 R514 R515 R522 | W492-V518 HydrophobicContact CZ2-CG2 4.17Å; R514-V518 PolarHBondContact O-N 3.04Å; R514-V518 VanDerWaalsContact O-N 3.15Å; R515-V518 PolarHBondContact O-N 2.96Å; V518-R522 WeakPolarHBondContact O-CB 3.49Å; V518-R522 PolarHBondContact O-N 2.98Å |
| 519 | F | 87.5 | Confident | 87.8 | Confident | 3 Ų | 3 | 71.2 Ų | 71.2 | 1% | 0.013 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -73.2 | -34.8 | -179.8 | -80.8 | -123.8 | 0 | 0 | 0 | 112.3 | V489 W492 R515 K517 R522 F523 L530 L558 | V489-F519 HydrophobicContact CB-CZ 4.12Å; V489-F519 HydrophobicContact CG1-CE1 4.16Å; V489-F519 HydrophobicContact CG1-CZ 3.84Å; V489-F519 HydrophobicContact CG2-CE1 4.31Å; V489-F519 HydrophobicContact CG2-CE2 4.41Å; V489-F519 HydrophobicContact CG2-CZ 3.89Å; W492-F519 HydrophobicContact CB-CE2 4.17Å; W492-F519 HydrophobicContact CG-CE2 4.25Å; R515-F519 HydrophobicContact CG-CD2 3.79Å; R515-F519 HydrophobicContact CG-CE2 3.61Å; R515-F519 HydrophobicContact CG-CZ 4.24Å; R515-F519 WeakPolarHBondContact O-CB 3.34Å; R515-F519 WeakPolarHBondContact O-CD2 3.28Å; R515-F519 PolarHBondContact O-N 3.06Å; K517-F519 VanDerWaalsContact C-N 3.31Å; K517-F519 PolarHBondContact O-N 3.31Å; F519-R522 PolarHBondContact O-N 3.11Å; F519-F523 HydrophobicContact CB-CD2 4.35Å; F519-F523 HydrophobicContact CD1-CD2 4.04Å; F519-F523 AromaticContact CD1-CE2 3.95Å; F519-F523 HydrophobicContact CD1-CE2 3.95Å; F519-F523 HydrophobicContact CE1-CE2 4.37Å; F519-F523 HydrophobicContact CG-CD2 4.39Å; F519-F523 HydrophobicContact CG-CE2 4.45Å; F519-F523 PolarHBondContact O-N 3.28Å; F519-L530 HydrophobicContact CB-CD1 4.14Å; F519-L530 HydrophobicContact CB-CD2 4.21Å; F519-L530 HydrophobicContact CD1-CD2 3.6Å; F519-L530 HydrophobicContact CE1-CD2 4.16Å; F519-L530 HydrophobicContact CG-CD2 4.07Å; F519-L558 HydrophobicContact CD1-CD2 3.74Å; F519-L558 HydrophobicContact CE1-CD2 3.7Å |
| 520 | K | 86.7 | Confident | 87.5 | Confident | 122 Ų | 122 | 64.5 Ų | 64.5 | 53% | 0.53 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -65.9 | -42.3 | 176.3 | -176.9 | -179.2 | 178 | -176.1 | 0 | 111.8 | S516 K517 R522 G524 | S516-K520 WeakPolarHBondContact O-CB 3.31Å; S516-K520 PolarHBondContact O-N 2.93Å; K517-K520 PolarHBondContact O-N 3.12Å; K520-R522 PolarHBondContact O-N 2.92Å; K520-G524 WeakPolarHBondContact CA-O 3.46Å; K520-G524 VanDerWaalsContact O-CA 3.3Å; K520-G524 WeakPolarHBondContact O-CA 3.47Å; K520-G524 PolarHBondContact O-N 3.41Å |
| 521 | E | 85.7 | Confident | 87.2 | Confident | 140 Ų | 140 | 66.7 Ų | 66.7 | 65% | 0.654 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -60.8 | -34.5 | 174.3 | -73.5 | 168.8 | -175.4 | 0 | 0 | 111.6 | K517 | K517-E521 WeakPolarHBondContact CE-OE1 3.45Å; K517-E521 WeakPolarHBondContact CG-OE1 3.4Å; K517-E521 WeakPolarHBondContact O-CG 3.37Å; K517-E521 PolarHBondContact O-N 2.81Å |
| 522 | R | 82.3 | Confident | 87 | Confident | 96 Ų | 96 | 66.9 Ų | 66.9 | 36% | 0.362 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -87.5 | -42.5 | -175.4 | -173.9 | 173.6 | 176.6 | -159.1 | -1.6 | 115.2 | E486 V518 F519 K520 | E486-R522 VanDerWaalsContact CA-NH2 3.26Å; E486-R522 VanDerWaalsContact CB-NH2 3.3Å; E486-R522 PolarHBondContact O-NH1 3.17Å; E486-R522 PolarHBondContact O-NH2 3.33Å; V518-R522 WeakPolarHBondContact O-CB 3.49Å; V518-R522 PolarHBondContact O-N 2.98Å; F519-R522 PolarHBondContact O-N 3.11Å; K520-R522 PolarHBondContact O-N 2.92Å |
| 523 | F | 83.4 | Confident | 86.7 | Confident | 58 Ų | 58 | 63.3 Ų | 63.3 | 25% | 0.254 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -120.5 | 3 | -169.1 | -56.5 | -69.9 | 0 | 0 | 0 | 113.4 | F519 L526 V556 P557 | F519-F523 HydrophobicContact CB-CD2 4.35Å; F519-F523 HydrophobicContact CD1-CD2 4.04Å; F519-F523 AromaticContact CD1-CE2 3.95Å; F519-F523 HydrophobicContact CD1-CE2 3.95Å; F519-F523 HydrophobicContact CE1-CE2 4.37Å; F519-F523 HydrophobicContact CG-CD2 4.39Å; F519-F523 HydrophobicContact CG-CE2 4.45Å; F519-F523 PolarHBondContact O-N 3.28Å; F523-L526 HydrophobicContact CB-CD1 3.3Å; F523-L526 HydrophobicContact CB-CG 3.96Å; F523-L526 HydrophobicContact CD2-CD1 3.96Å; F523-L526 HydrophobicContact CG-CD1 3.92Å; F523-V556 HydrophobicContact CB-CG1 4.43Å; F523-V556 HydrophobicContact CD1-CG1 4.13Å; F523-V556 HydrophobicContact CD2-CG1 4.13Å; F523-V556 HydrophobicContact CE1-CG1 4.37Å; F523-V556 HydrophobicContact CE2-CG1 4.36Å; F523-V556 HydrophobicContact CG-CG1 4Å; F523-V556 HydrophobicContact CZ-CG1 4.47Å; F523-P557 HydrophobicContact CE1-CG 3.65Å; F523-P557 HydrophobicContact CZ-CG 3.8Å |
| 524 | G | 83.3 | Confident | 86.4 | Confident | 34 Ų | 34 | 57.6 Ų | 57.6 | 35% | 0.351 | 29% | 0.292 | S | S | . | . | S | Bend | trans | 78 | -157.4 | -175.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | K520 L526 | K520-G524 WeakPolarHBondContact CA-O 3.46Å; K520-G524 VanDerWaalsContact O-CA 3.3Å; K520-G524 WeakPolarHBondContact O-CA 3.47Å; K520-G524 PolarHBondContact O-N 3.41Å; G524-L526 PolarHBondContact O-N 2.86Å; G524-L526 VanDerWaalsContact O-N 3.07Å |
| 525 | N | 81.9 | Confident | 86.1 | Confident | 120 Ų | 120 | 61 Ų | 61 | 64% | 0.642 | 31% | 0.306 | S | S | * | . | trans | -73.9 | 105 | -174.9 | -171.3 | 0.3 | 0 | 0 | 0 | 111.6 | N527 | N525-N527 PolarHBondContact OD1-N 2.8Å; N525-N527 PolarHBondContact OD1-ND2 2.95Å | ||
| 526 | L | 81.9 | Confident | 85.9 | Confident | 21 Ų | 21 | 62.4 Ų | 62.4 | 11% | 0.11 | 31% | 0.311 | C | S | . | . | trans | -118.2 | 23.1 | -179.5 | -64.8 | -173.6 | 0 | 0 | 0 | 113.4 | F523 G524 A528 A529 L530 V556 L558 | F523-L526 HydrophobicContact CB-CD1 3.3Å; F523-L526 HydrophobicContact CB-CG 3.96Å; F523-L526 HydrophobicContact CD2-CD1 3.96Å; F523-L526 HydrophobicContact CG-CD1 3.92Å; G524-L526 PolarHBondContact O-N 2.86Å; G524-L526 VanDerWaalsContact O-N 3.07Å; L526-A528 VanDerWaalsContact C-N 3.3Å; L526-A528 PolarHBondContact O-N 2.84Å; L526-A529 HydrophobicContact CB-CB 4.42Å; L526-A529 PolarHBondContact O-N 3.18Å; L526-A529 VanDerWaalsContact O-N 3.08Å; L526-L530 HydrophobicContact CB-CD1 4.17Å; L526-L530 HydrophobicContact CB-CG 3.99Å; L526-L530 WeakPolarHBondContact O-CB 3.49Å; L526-L530 WeakPolarHBondContact O-CG 3.4Å; L526-L530 PolarHBondContact O-N 2.93Å; L526-V556 HydrophobicContact CD1-CB 4.27Å; L526-V556 HydrophobicContact CD1-CG1 3.52Å; L526-V556 HydrophobicContact CD1-CG2 3.87Å; L526-V556 HydrophobicContact CD2-CG2 3.56Å; L526-V556 HydrophobicContact CG-CG2 4.38Å; L526-L558 HydrophobicContact CD1-CD2 4.32Å | ||
| 527 | N | 84.7 | Confident | 85.8 | Confident | 91 Ų | 91 | 65.3 Ų | 65.3 | 49% | 0.487 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -53.1 | -45.9 | -171 | -70.2 | -15.9 | 0 | 0 | 0 | 113.2 | N525 M531 | N525-N527 PolarHBondContact OD1-N 2.8Å; N525-N527 PolarHBondContact OD1-ND2 2.95Å; N527-M531 WeakPolarHBondContact O-CB 3.49Å; N527-M531 PolarHBondContact O-N 3.49Å; N527-M531 VanDerWaalsContact O-N 3.07Å |
| 528 | A | 85.6 | Confident | 85.7 | Confident | 55 Ų | 55 | 64.4 Ų | 64.4 | 46% | 0.455 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -66.8 | -45.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112 | L526 L530 M531 V532 I551 | L526-A528 VanDerWaalsContact C-N 3.3Å; L526-A528 PolarHBondContact O-N 2.84Å; A528-L530 PolarHBondContact O-N 3.48Å; A528-M531 WeakPolarHBondContact O-CB 3.3Å; A528-M531 PolarHBondContact O-N 3.13Å; A528-V532 WeakPolarHBondContact O-CG2 3.29Å; A528-V532 PolarHBondContact O-N 2.93Å; A528-I551 HydrophobicContact CB-CG2 3.76Å |
| 529 | A | 87 | Confident | 85.5 | Confident | 2 Ų | 2 | 65.1 Ų | 65.1 | 2% | 0.017 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -64.5 | -39 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | L526 M531 V532 D533 I551 F553 L558 | L526-A529 HydrophobicContact CB-CB 4.42Å; L526-A529 PolarHBondContact O-N 3.18Å; L526-A529 VanDerWaalsContact O-N 3.08Å; A529-M531 VanDerWaalsContact C-N 3.31Å; A529-V532 PolarHBondContact O-N 3.22Å; A529-D533 WeakPolarHBondContact O-CB 3.46Å; A529-D533 PolarHBondContact O-N 3.45Å; A529-I551 HydrophobicContact CB-CG2 4.04Å; A529-F553 HydrophobicContact CB-CB 4.48Å; A529-F553 HydrophobicContact CB-CD2 4.25Å; A529-F553 WeakPolarHBondContact O-CD2 3.42Å; A529-L558 HydrophobicContact CB-CD1 4.09Å |
| 530 | L | 86.8 | Confident | 85.6 | Confident | 14 Ų | 14 | 70.7 Ų | 70.7 | 7% | 0.073 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -68.2 | -31.3 | 174.7 | -68.3 | 174 | 0 | 0 | 0 | 112.3 | F519 L526 A528 Q534 L558 | F519-L530 HydrophobicContact CB-CD1 4.14Å; F519-L530 HydrophobicContact CB-CD2 4.21Å; F519-L530 HydrophobicContact CD1-CD2 3.6Å; F519-L530 HydrophobicContact CE1-CD2 4.16Å; F519-L530 HydrophobicContact CG-CD2 4.07Å; L526-L530 HydrophobicContact CB-CD1 4.17Å; L526-L530 HydrophobicContact CB-CG 3.99Å; L526-L530 WeakPolarHBondContact O-CB 3.49Å; L526-L530 WeakPolarHBondContact O-CG 3.4Å; L526-L530 PolarHBondContact O-N 2.93Å; A528-L530 PolarHBondContact O-N 3.48Å; L530-Q534 WeakPolarHBondContact O-CB 3.43Å; L530-Q534 PolarHBondContact O-N 2.75Å; L530-L558 HydrophobicContact CD2-CD2 3.78Å |
| 531 | M | 87.1 | Confident | 85.6 | Confident | 100 Ų | 100 | 66.9 Ų | 66.9 | 49% | 0.493 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -70.2 | -45 | 174.2 | -171.2 | 167.5 | -176.1 | 0 | 0 | 110.9 | N527 A528 A529 D533 Q534 Y535 | N527-M531 WeakPolarHBondContact O-CB 3.49Å; N527-M531 PolarHBondContact O-N 3.49Å; N527-M531 VanDerWaalsContact O-N 3.07Å; A528-M531 WeakPolarHBondContact O-CB 3.3Å; A528-M531 PolarHBondContact O-N 3.13Å; A529-M531 VanDerWaalsContact C-N 3.31Å; M531-D533 VanDerWaalsContact C-N 3.31Å; M531-D533 PolarHBondContact O-N 3.11Å; M531-Q534 WeakPolarHBondContact O-CB 3.34Å; M531-Q534 PolarHBondContact O-N 2.81Å; M531-Y535 HydrophobicContact CE-CE2 3.87Å; M531-Y535 HydrophobicContact CG-CD2 4.1Å; M531-Y535 HydrophobicContact CG-CE2 3.94Å; M531-Y535 VanDerWaalsContact O-CD2 3.26Å; M531-Y535 WeakPolarHBondContact O-CD2 3.45Å; M531-Y535 PolarHBondContact O-N 3.36Å |
| 532 | V | 87.3 | Confident | 85.7 | Confident | 7 Ų | 7 | 63.5 Ų | 63.5 | 4% | 0.042 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -56.3 | -47.5 | 171.6 | 173 | 0 | 0 | 0 | 0 | 110.7 | A528 A529 Q534 Y535 R536 L541 P542 L548 I551 F553 | A528-V532 WeakPolarHBondContact O-CG2 3.29Å; A528-V532 PolarHBondContact O-N 2.93Å; A529-V532 PolarHBondContact O-N 3.22Å; V532-Q534 VanDerWaalsContact C-N 3.27Å; V532-Q534 PolarHBondContact O-N 3.43Å; V532-Y535 PolarHBondContact O-N 3.01Å; V532-R536 PolarHBondContact O-N 2.9Å; V532-L541 HydrophobicContact CG1-CD2 4.14Å; V532-P542 HydrophobicContact CB-CG 4.28Å; V532-P542 HydrophobicContact CG1-CG 4.01Å; V532-P542 HydrophobicContact CG2-CG 4.32Å; V532-L548 HydrophobicContact CB-CD2 4.29Å; V532-L548 HydrophobicContact CG1-CD2 3.35Å; V532-L548 HydrophobicContact CG2-CD2 4.01Å; V532-I551 HydrophobicContact CG2-CD1 4.09Å; V532-F553 HydrophobicContact CB-CD2 3.76Å; V532-F553 HydrophobicContact CB-CE2 3.89Å; V532-F553 HydrophobicContact CB-CG 4.4Å; V532-F553 HydrophobicContact CG1-CD1 4.16Å; V532-F553 HydrophobicContact CG1-CD2 3.55Å; V532-F553 HydrophobicContact CG1-CE1 4.1Å; V532-F553 HydrophobicContact CG1-CE2 3.48Å; V532-F553 VanDerWaalsContact CG1-CE2 3.48Å; V532-F553 HydrophobicContact CG1-CG 3.89Å; V532-F553 HydrophobicContact CG1-CZ 3.76Å |
| 533 | D | 85.4 | Confident | 85.9 | Confident | 7 Ų | 7 | 60.4 Ų | 60.4 | 4% | 0.037 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -60.5 | -36.8 | 179.5 | -173.8 | 73.5 | 0 | 0 | 0 | 112.6 | R515 A529 M531 R536 F553 L558 | R515-D533 IonicContact CZ-OD2 3.8Å; R515-D533 VanDerWaalsContact CZ-OD2 3.25Å; R515-D533 IonicContact NH1-OD2 2.83Å; R515-D533 PolarHBondContact NH1-OD2 3.05Å; R515-D533 IonicContact NH2-OD2 2.74Å; R515-D533 PolarHBondContact NH2-OD2 3.08Å; A529-D533 WeakPolarHBondContact O-CB 3.46Å; A529-D533 PolarHBondContact O-N 3.45Å; M531-D533 VanDerWaalsContact C-N 3.31Å; M531-D533 PolarHBondContact O-N 3.11Å; D533-R536 WeakPolarHBondContact O-CB 3.27Å; D533-R536 PolarHBondContact O-N 2.97Å; D533-R536 IonicContact OD1-CZ 2.69Å; D533-R536 IonicContact OD1-NH1 3.87Å; D533-R536 PolarHBondContact OD1-NH1 3.17Å; D533-R536 IonicContact OD1-NH2 3.05Å; D533-R536 PolarHBondContact OD1-NH2 3.36Å; D533-F553 HydrophobicContact CB-CE2 3.85Å; D533-L558 HydrophobicContact CB-CD1 4.17Å |
| 534 | Q | 84.2 | Confident | 86 | Confident | 51 Ų | 51 | 61.4 Ų | 61.4 | 24% | 0.238 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -65.5 | -41.1 | 178.1 | 179.5 | -172.1 | -9.6 | 0 | 0 | 112.3 | L496 L530 M531 V532 R536 | L496-Q534 HydrophobicContact CD2-CB 4.47Å; L496-Q534 HydrophobicContact CD2-CG 4.25Å; L530-Q534 WeakPolarHBondContact O-CB 3.43Å; L530-Q534 PolarHBondContact O-N 2.75Å; M531-Q534 WeakPolarHBondContact O-CB 3.34Å; M531-Q534 PolarHBondContact O-N 2.81Å; V532-Q534 VanDerWaalsContact C-N 3.27Å; V532-Q534 PolarHBondContact O-N 3.43Å; Q534-R536 VanDerWaalsContact C-N 3.31Å |
| 535 | Y | 88 | Confident | 85.7 | Confident | 138 Ų | 138 | 61.9 Ų | 61.9 | 54% | 0.541 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -86.4 | -3.6 | 179.5 | -71.5 | -74.2 | 0 | 0 | 0 | 113 | M531 V532 H537 | M531-Y535 HydrophobicContact CE-CE2 3.87Å; M531-Y535 HydrophobicContact CG-CD2 4.1Å; M531-Y535 HydrophobicContact CG-CE2 3.94Å; M531-Y535 VanDerWaalsContact O-CD2 3.26Å; M531-Y535 WeakPolarHBondContact O-CD2 3.45Å; M531-Y535 PolarHBondContact O-N 3.36Å; V532-Y535 PolarHBondContact O-N 3.01Å; Y535-H537 PolarHBondContact O-N 2.96Å |
| 536 | R | 87 | Confident | 85.5 | Confident | 38 Ų | 38 | 59 Ų | 59 | 14% | 0.143 | 31% | 0.314 | C | S | . | . | trans | -66.2 | 132.9 | 173.6 | -177.1 | -173.6 | 68.4 | -137.6 | -11 | 109.5 | V532 D533 Q534 L540 L541 I567 | V532-R536 PolarHBondContact O-N 2.9Å; D533-R536 WeakPolarHBondContact O-CB 3.27Å; D533-R536 PolarHBondContact O-N 2.97Å; D533-R536 IonicContact OD1-CZ 2.69Å; D533-R536 IonicContact OD1-NH1 3.87Å; D533-R536 PolarHBondContact OD1-NH1 3.17Å; D533-R536 IonicContact OD1-NH2 3.05Å; D533-R536 PolarHBondContact OD1-NH2 3.36Å; Q534-R536 VanDerWaalsContact C-N 3.31Å; R536-L540 WeakPolarHBondContact CA-O 3.21Å; R536-L540 WeakPolarHBondContact CG-O 3.48Å; R536-L541 HydrophobicContact CB-CD2 4.13Å; R536-L541 HydrophobicContact CG-CD2 3.82Å; R536-I567 HydrophobicContact CG-CD1 4.28Å | ||
| 537 | H | 87.7 | Confident | 85.7 | Confident | 94 Ų | 94 | 62.3 Ų | 62.3 | 44% | 0.435 | 33% | 0.329 | S | S | . | . | B | Isolated β-bridge | trans | -128 | 117.9 | 166.5 | -175.7 | 76.7 | 0 | 0 | 0 | 109.3 | Y501 Y535 T539 L540 | Y501-H537 PolarHBondContact OH-CE1 3.42Å; Y535-H537 PolarHBondContact O-N 2.96Å; H537-T539 PolarHBondContact O-N 3.35Å; H537-L540 PolarHBondContact N-O 3.01Å; H537-L540 VanDerWaalsContact N-O 3.16Å; H537-L540 WeakPolarHBondContact O-CB 3.49Å; H537-L540 PolarHBondContact O-N 3.25Å |
| 538 | E | 86.6 | Confident | 85.6 | Confident | 117 Ų | 117 | 58 Ų | 58 | 55% | 0.547 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.3 | -112.7 | -171.8 | -64.9 | -65.9 | 171.8 | 0 | 0 | 111.5 | S563 | E538-S563 WeakPolarHBondContact O-CB 3.34Å; E538-S563 WeakPolarHBondContact OE2-CB 3.19Å |
| 539 | T | 86 | Confident | 85.2 | Confident | 60 Ų | 60 | 56.9 Ų | 56.9 | 37% | 0.368 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.7 | -5.7 | 178.8 | 55.6 | 0 | 0 | 0 | 0 | 114 | H537 T566 | H537-T539 PolarHBondContact O-N 3.35Å; T539-T566 HydrophobicContact CG2-CG2 4.15Å |
| 540 | L | 88.4 | Confident | 84.9 | Confident | 119 Ų | 119 | 64.2 Ų | 64.2 | 62% | 0.623 | 33% | 0.333 | S | S | * | . | B | Isolated β-bridge | trans | -80.9 | 133 | -178.9 | -57.6 | 176.9 | 0 | 0 | 0 | 110.5 | R536 H537 | R536-L540 WeakPolarHBondContact CA-O 3.21Å; R536-L540 WeakPolarHBondContact CG-O 3.48Å; H537-L540 PolarHBondContact N-O 3.01Å; H537-L540 VanDerWaalsContact N-O 3.16Å; H537-L540 WeakPolarHBondContact O-CB 3.49Å; H537-L540 PolarHBondContact O-N 3.25Å |
| 541 | L | 87.8 | Confident | 84.7 | Confident | 43 Ų | 43 | 66.3 Ų | 66.3 | 23% | 0.225 | 34% | 0.344 | C | S | . | . | trans | -124.7 | 146.2 | -177.1 | -65.8 | 161.8 | 0 | 0 | 0 | 109.9 | V532 R536 C543 L548 F553 I567 | V532-L541 HydrophobicContact CG1-CD2 4.14Å; R536-L541 HydrophobicContact CB-CD2 4.13Å; R536-L541 HydrophobicContact CG-CD2 3.82Å; L541-C543 PolarHBondContact O-N 3.29Å; L541-L548 HydrophobicContact CB-CD1 4.07Å; L541-L548 HydrophobicContact CD1-CD1 3.27Å; L541-L548 HydrophobicContact CD2-CD1 4.44Å; L541-L548 HydrophobicContact CG-CD1 4.1Å; L541-F553 HydrophobicContact CD2-CE1 3.7Å; L541-F553 HydrophobicContact CD2-CZ 3.9Å; L541-I567 HydrophobicContact CD1-CB 4.4Å; L541-I567 HydrophobicContact CD1-CD1 4.04Å; L541-I567 HydrophobicContact CD1-CG1 4.05Å; L541-I567 HydrophobicContact CD1-CG2 3.46Å; L541-I567 VanDerWaalsContact CD1-CG2 3.46Å; L541-I567 HydrophobicContact CD2-CD1 4.03Å; L541-I567 HydrophobicContact CG-CD1 4.12Å | ||
| 542 | P | 88.5 | Confident | 84.3 | Confident | 68 Ų | 68 | 62.3 Ų | 62.3 | 44% | 0.442 | 33% | 0.327 | S | S | . | . | S | Bend | trans | -73.6 | -7.9 | 178.3 | 31.9 | -38.5 | 0 | 0 | 0 | 113.7 | V532 | V532-P542 HydrophobicContact CB-CG 4.28Å; V532-P542 HydrophobicContact CG1-CG 4.01Å; V532-P542 HydrophobicContact CG2-CG 4.32Å |
| 543 | C | 86.3 | Confident | 84.2 | Confident | 32 Ų | 32 | 62 Ų | 62 | 22% | 0.216 | 33% | 0.325 | C | S | . | . | S | Bend | trans | -135.5 | 152.5 | -177.1 | -58 | 0 | 0 | 0 | 0 | 109.6 | L541 Q547 L548 | L541-C543 PolarHBondContact O-N 3.29Å; C543-Q547 HydrophobicContact CB-CB 4.01Å; C543-L548 HydrophobicContact CB-CD2 3.9Å; C543-L548 HydrophobicContact CB-CG 4.05Å |
| 544 | D | 83.9 | Confident | 83.8 | Confident | 79 Ų | 79 | 62.5 Ų | 62.5 | 42% | 0.422 | 33% | 0.328 | S | S | . | . | trans | -71.8 | 162.9 | 173.4 | 71.7 | 84 | 0 | 0 | 0 | 111.7 | S546 Q547 L548 | D544-S546 PolarHBondContact O-N 3.11Å; D544-S546 VanDerWaalsContact O-N 3.15Å; D544-S546 WeakPolarHBondContact OD1-CA 3.47Å; D544-S546 VanDerWaalsContact OD1-CB 3.25Å; D544-S546 WeakPolarHBondContact OD1-CB 3.38Å; D544-S546 PolarHBondContact OD1-N 3.24Å; D544-S546 PolarHBondContact OD1-OG 3.22Å; D544-Q547 PolarHBondContact O-N 3.35Å; D544-Q547 PolarHBondContact OD1-N 3.28Å; D544-Q547 WeakPolarHBondContact OD2-CG 3.44Å; D544-Q547 PolarHBondContact OD2-NE2 3.28Å; D544-Q547 PolarHBondContact OD2-OE1 2.9Å; D544-L548 VanDerWaalsContact O-CG 3.26Å; D544-L548 WeakPolarHBondContact O-CG 3.25Å; D544-L548 PolarHBondContact O-N 2.93Å | ||
| 545 | V | 78 | Confident | 83.4 | Confident | 43 Ų | 43 | 68.4 Ų | 68.4 | 26% | 0.261 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -58.4 | -31.1 | -174.3 | 177.6 | 0 | 0 | 0 | 0 | 113.3 | S549 V571 M575 | V545-S549 PolarHBondContact O-N 3.22Å; V545-S549 VanDerWaalsContact O-N 3.09Å; V545-S549 PolarHBondContact O-OG 3.48Å; V545-V571 HydrophobicContact CG1-CB 4.25Å; V545-V571 HydrophobicContact CG1-CG1 4.04Å; V545-V571 HydrophobicContact CG1-CG2 3.92Å; V545-M575 HydrophobicContact CG1-CE 4.46Å; V545-M575 HydrophobicContact CG1-SD 4.18Å |
| 546 | S | 78.3 | Confident | 82.9 | Confident | 60 Ų | 60 | 62.7 Ų | 62.7 | 42% | 0.42 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -71 | -45.3 | 179.7 | 77.5 | 0 | 0 | 0 | 0 | 111.3 | D544 L548 S549 L550 | D544-S546 PolarHBondContact O-N 3.11Å; D544-S546 VanDerWaalsContact O-N 3.15Å; D544-S546 WeakPolarHBondContact OD1-CA 3.47Å; D544-S546 VanDerWaalsContact OD1-CB 3.25Å; D544-S546 WeakPolarHBondContact OD1-CB 3.38Å; D544-S546 PolarHBondContact OD1-N 3.24Å; D544-S546 PolarHBondContact OD1-OG 3.22Å; S546-L548 VanDerWaalsContact C-N 3.33Å; S546-L548 PolarHBondContact O-N 3.24Å; S546-S549 WeakPolarHBondContact O-CB 3.17Å; S546-S549 PolarHBondContact O-N 2.99Å; S546-L550 PolarHBondContact O-N 3.08Å |
| 547 | Q | 84.2 | Confident | 82.4 | Confident | 91 Ų | 91 | 64.4 Ų | 64.4 | 43% | 0.425 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -61.3 | -41.8 | 173.8 | -70.9 | 178.6 | -7 | 0 | 0 | 111.7 | C543 D544 S549 L550 I551 | C543-Q547 HydrophobicContact CB-CB 4.01Å; D544-Q547 PolarHBondContact O-N 3.35Å; D544-Q547 PolarHBondContact OD1-N 3.28Å; D544-Q547 WeakPolarHBondContact OD2-CG 3.44Å; D544-Q547 PolarHBondContact OD2-NE2 3.28Å; D544-Q547 PolarHBondContact OD2-OE1 2.9Å; Q547-S549 VanDerWaalsContact C-N 3.27Å; Q547-S549 PolarHBondContact O-N 3.13Å; Q547-L550 PolarHBondContact O-N 3.13Å; Q547-I551 VanDerWaalsContact O-CG1 3.28Å; Q547-I551 WeakPolarHBondContact O-CG1 3.48Å; Q547-I551 PolarHBondContact O-N 3.32Å |
| 548 | L | 83.7 | Confident | 82.1 | Confident | 1 Ų | 1 | 59.9 Ų | 59.9 | 1% | 0.005 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -62.6 | -34.5 | 178 | -67.6 | 174.9 | 0 | 0 | 0 | 113.2 | V532 L541 C543 D544 S546 G552 F553 L554 | V532-L548 HydrophobicContact CB-CD2 4.29Å; V532-L548 HydrophobicContact CG1-CD2 3.35Å; V532-L548 HydrophobicContact CG2-CD2 4.01Å; L541-L548 HydrophobicContact CB-CD1 4.07Å; L541-L548 HydrophobicContact CD1-CD1 3.27Å; L541-L548 HydrophobicContact CD2-CD1 4.44Å; L541-L548 HydrophobicContact CG-CD1 4.1Å; C543-L548 HydrophobicContact CB-CD2 3.9Å; C543-L548 HydrophobicContact CB-CG 4.05Å; D544-L548 VanDerWaalsContact O-CG 3.26Å; D544-L548 WeakPolarHBondContact O-CG 3.25Å; D544-L548 PolarHBondContact O-N 2.93Å; S546-L548 VanDerWaalsContact C-N 3.33Å; S546-L548 PolarHBondContact O-N 3.24Å; L548-G552 PolarHBondContact O-N 3.3Å; L548-F553 HydrophobicContact CB-CB 4.35Å; L548-F553 HydrophobicContact CD1-CD1 4.44Å; L548-F553 HydrophobicContact CD2-CB 4.02Å; L548-F553 HydrophobicContact CD2-CD1 3.9Å; L548-F553 HydrophobicContact CD2-CG 4Å; L548-F553 PolarHBondContact O-N 2.95Å; L548-F553 VanDerWaalsContact O-N 3.1Å; L548-L554 HydrophobicContact CB-CD1 4.45Å |
| 549 | S | 77.8 | Confident | 81.8 | Confident | 30 Ų | 30 | 55 Ų | 55 | 21% | 0.21 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -66.9 | -41.9 | 176.3 | -60.6 | 0 | 0 | 0 | 0 | 111.2 | V545 S546 Q547 G552 | V545-S549 PolarHBondContact O-N 3.22Å; V545-S549 VanDerWaalsContact O-N 3.09Å; V545-S549 PolarHBondContact O-OG 3.48Å; S546-S549 WeakPolarHBondContact O-CB 3.17Å; S546-S549 PolarHBondContact O-N 2.99Å; Q547-S549 VanDerWaalsContact C-N 3.27Å; Q547-S549 PolarHBondContact O-N 3.13Å; S549-G552 PolarHBondContact O-N 3.46Å |
| 550 | L | 79.3 | Confident | 81.4 | Confident | 157 Ų | 157 | 57.7 Ų | 57.7 | 82% | 0.822 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -66.3 | -42.7 | 174.7 | -72.1 | 167.6 | 0 | 0 | 0 | 112.6 | S546 Q547 G552 | S546-L550 PolarHBondContact O-N 3.08Å; Q547-L550 PolarHBondContact O-N 3.13Å; L550-G552 PolarHBondContact O-N 3.36Å; L550-G552 VanDerWaalsContact O-N 3.17Å |
| 551 | I | 83.7 | Confident | 81 | Confident | 58 Ų | 58 | 53.8 Ų | 53.8 | 30% | 0.297 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -63.3 | -19.3 | 176.1 | -68.7 | 165.5 | 0 | 0 | 0 | 111.6 | A528 A529 V532 Q547 F553 | A528-I551 HydrophobicContact CB-CG2 3.76Å; A529-I551 HydrophobicContact CB-CG2 4.04Å; V532-I551 HydrophobicContact CG2-CD1 4.09Å; Q547-I551 VanDerWaalsContact O-CG1 3.28Å; Q547-I551 WeakPolarHBondContact O-CG1 3.48Å; Q547-I551 PolarHBondContact O-N 3.32Å; I551-F553 HydrophobicContact CG2-CB 4.29Å; I551-F553 PolarHBondContact O-N 3.37Å |
| 552 | G | 79.4 | Confident | 80.7 | Confident | 15 Ų | 15 | 60.7 Ų | 60.7 | 16% | 0.155 | 33% | 0.329 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 74.8 | 14.4 | -174.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | L548 S549 L550 L554 R555 | L548-G552 PolarHBondContact O-N 3.3Å; S549-G552 PolarHBondContact O-N 3.46Å; L550-G552 PolarHBondContact O-N 3.36Å; L550-G552 VanDerWaalsContact O-N 3.17Å; G552-L554 PolarHBondContact O-N 2.85Å; G552-R555 WeakPolarHBondContact O-CB 3.44Å; G552-R555 PolarHBondContact O-N 3.29Å |
| 553 | F | 83.4 | Confident | 80.4 | Confident | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 31% | 0.313 | C | S | . | . | G | 310 helix | trans | -53.6 | -40.6 | -177.4 | 176.2 | -106.6 | 0 | 0 | 0 | 112.8 | A529 V532 D533 L541 L548 I551 R555 L558 F564 | A529-F553 HydrophobicContact CB-CB 4.48Å; A529-F553 HydrophobicContact CB-CD2 4.25Å; A529-F553 WeakPolarHBondContact O-CD2 3.42Å; V532-F553 HydrophobicContact CB-CD2 3.76Å; V532-F553 HydrophobicContact CB-CE2 3.89Å; V532-F553 HydrophobicContact CB-CG 4.4Å; V532-F553 HydrophobicContact CG1-CD1 4.16Å; V532-F553 HydrophobicContact CG1-CD2 3.55Å; V532-F553 HydrophobicContact CG1-CE1 4.1Å; V532-F553 HydrophobicContact CG1-CE2 3.48Å; V532-F553 VanDerWaalsContact CG1-CE2 3.48Å; V532-F553 HydrophobicContact CG1-CG 3.89Å; V532-F553 HydrophobicContact CG1-CZ 3.76Å; D533-F553 HydrophobicContact CB-CE2 3.85Å; L541-F553 HydrophobicContact CD2-CE1 3.7Å; L541-F553 HydrophobicContact CD2-CZ 3.9Å; L548-F553 HydrophobicContact CB-CB 4.35Å; L548-F553 HydrophobicContact CD1-CD1 4.44Å; L548-F553 HydrophobicContact CD2-CB 4.02Å; L548-F553 HydrophobicContact CD2-CD1 3.9Å; L548-F553 HydrophobicContact CD2-CG 4Å; L548-F553 PolarHBondContact O-N 2.95Å; L548-F553 VanDerWaalsContact O-N 3.1Å; I551-F553 HydrophobicContact CG2-CB 4.29Å; I551-F553 PolarHBondContact O-N 3.37Å; F553-R555 VanDerWaalsContact C-N 3.34Å; F553-L558 HydrophobicContact CD2-CD1 3.7Å; F553-L558 HydrophobicContact CE2-CD1 3.74Å; F553-F564 HydrophobicContact CD1-CE2 4.4Å; F553-F564 HydrophobicContact CE1-CD2 4.37Å; F553-F564 AromaticContact CE1-CE2 3.72Å; F553-F564 HydrophobicContact CE1-CE2 3.72Å; F553-F564 HydrophobicContact CZ-CD2 4.36Å; F553-F564 AromaticContact CZ-CE2 3.79Å; F553-F564 HydrophobicContact CZ-CE2 3.79Å |
| 554 | L | 77.7 | Confident | 80.3 | Confident | 18 Ų | 18 | 57.3 Ų | 57.3 | 9% | 0.094 | 31% | 0.305 | C | S | . | . | G | 310 helix | trans | -81.6 | -12 | -176.8 | -60.5 | 162.3 | 0 | 0 | 0 | 113.8 | L548 G552 I567 V571 | L548-L554 HydrophobicContact CB-CD1 4.45Å; G552-L554 PolarHBondContact O-N 2.85Å; L554-I567 HydrophobicContact CD2-CG2 3.8Å; L554-V571 HydrophobicContact CD1-CB 4.32Å; L554-V571 HydrophobicContact CD1-CG1 4.13Å; L554-V571 HydrophobicContact CD1-CG2 3.28Å; L554-V571 HydrophobicContact CD2-CG2 4.08Å; L554-V571 HydrophobicContact CG-CG2 4.27Å |
| 555 | R | 75.8 | Confident | 80.3 | Confident | 176 Ų | 176 | 56.4 Ų | 56.4 | 66% | 0.664 | 31% | 0.309 | S | S | * | . | G | 310 helix | trans | -85.4 | -21.3 | 179.6 | -64.1 | -176.6 | 176.6 | 179 | -0.3 | 112.2 | G552 F553 | G552-R555 WeakPolarHBondContact O-CB 3.44Å; G552-R555 PolarHBondContact O-N 3.29Å; F553-R555 VanDerWaalsContact C-N 3.34Å |
| 556 | V | 77.9 | Confident | 80.5 | Confident | 17 Ų | 17 | 57.3 Ų | 57.3 | 10% | 0.103 | 32% | 0.315 | C | S | . | . | S | Bend | trans | -95.9 | 134.8 | -178.8 | -174.4 | 0 | 0 | 0 | 0 | 109.8 | F523 L526 L558 | F523-V556 HydrophobicContact CB-CG1 4.43Å; F523-V556 HydrophobicContact CD1-CG1 4.13Å; F523-V556 HydrophobicContact CD2-CG1 4.13Å; F523-V556 HydrophobicContact CE1-CG1 4.37Å; F523-V556 HydrophobicContact CE2-CG1 4.36Å; F523-V556 HydrophobicContact CG-CG1 4Å; F523-V556 HydrophobicContact CZ-CG1 4.47Å; L526-V556 HydrophobicContact CD1-CB 4.27Å; L526-V556 HydrophobicContact CD1-CG1 3.52Å; L526-V556 HydrophobicContact CD1-CG2 3.87Å; L526-V556 HydrophobicContact CD2-CG2 3.56Å; L526-V556 HydrophobicContact CG-CG2 4.38Å; V556-L558 HydrophobicContact CB-CD1 4.41Å; V556-L558 HydrophobicContact CB-CD2 4.28Å; V556-L558 HydrophobicContact CB-CG 3.88Å; V556-L558 HydrophobicContact CG1-CD2 3.6Å; V556-L558 HydrophobicContact CG1-CG 3.69Å; V556-L558 PolarHBondContact O-N 3.12Å |
| 557 | P | 76.9 | Confident | 80.7 | Confident | 74 Ų | 74 | 54.7 Ų | 54.7 | 48% | 0.481 | 30% | 0.296 | S | S | . | . | trans | -75.5 | 68.2 | 173.4 | 33.7 | -35.2 | 0 | 0 | 0 | 110.1 | F523 S559 | F523-P557 HydrophobicContact CE1-CG 3.65Å; F523-P557 HydrophobicContact CZ-CG 3.8Å; P557-S559 VanDerWaalsContact C-N 3.29Å; P557-S559 PolarHBondContact O-N 3.33Å | ||
| 558 | L | 80.9 | Confident | 80.6 | Confident | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 30% | 0.302 | C | S | . | . | trans | -73.1 | -20.6 | -178.9 | -69.7 | 174.5 | 0 | 0 | 0 | 112.7 | V489 N493 F519 L526 A529 L530 D533 F553 V556 F564 | V489-L558 WeakPolarHBondContact CG1-O 3.35Å; N493-L558 PolarHBondContact ND2-O 3.05Å; F519-L558 HydrophobicContact CD1-CD2 3.74Å; F519-L558 HydrophobicContact CE1-CD2 3.7Å; L526-L558 HydrophobicContact CD1-CD2 4.32Å; A529-L558 HydrophobicContact CB-CD1 4.09Å; L530-L558 HydrophobicContact CD2-CD2 3.78Å; D533-L558 HydrophobicContact CB-CD1 4.17Å; F553-L558 HydrophobicContact CD2-CD1 3.7Å; F553-L558 HydrophobicContact CE2-CD1 3.74Å; V556-L558 HydrophobicContact CB-CD1 4.41Å; V556-L558 HydrophobicContact CB-CD2 4.28Å; V556-L558 HydrophobicContact CB-CG 3.88Å; V556-L558 HydrophobicContact CG1-CD2 3.6Å; V556-L558 HydrophobicContact CG1-CG 3.69Å; V556-L558 PolarHBondContact O-N 3.12Å; L558-F564 HydrophobicContact CB-CZ 4.47Å | ||
| 559 | S | 79.6 | Confident | 80.4 | Confident | 13 Ų | 13 | 60.2 Ų | 60.2 | 9% | 0.091 | 33% | 0.334 | C | S | . | . | trans | -158 | 150.6 | 175.8 | -178.2 | 0 | 0 | 0 | 0 | 111.4 | P557 S561 F564 | P557-S559 VanDerWaalsContact C-N 3.29Å; P557-S559 PolarHBondContact O-N 3.33Å; S559-S561 WeakPolarHBondContact OG-CB 3.45Å; S559-S561 PolarHBondContact OG-N 3.05Å; S559-S561 PolarHBondContact OG-OG 3.32Å; S559-F564 WeakPolarHBondContact O-CD1 3.42Å | ||
| 560 | T | 77.3 | Confident | 80.2 | Confident | 117 Ų | 117 | 64.6 Ų | 64.6 | 72% | 0.718 | 35% | 0.351 | S | S | * | . | trans | -98 | 8.6 | 168.4 | 68.6 | 0 | 0 | 0 | 0 | 113.3 | D490 | D490-T560 PolarHBondContact OD1-N 3.38Å; D490-T560 PolarHBondContact OD1-OG1 3.45Å; D490-T560 WeakPolarHBondContact OD2-CB 3.48Å; D490-T560 WeakPolarHBondContact OD2-CG2 3.46Å; D490-T560 PolarHBondContact OD2-OG1 3.13Å | ||
| 561 | S | 79.8 | Confident | 79.7 | Confident | 37 Ų | 37 | 58.2 Ų | 58.2 | 26% | 0.259 | 32% | 0.319 | S | S | . | . | trans | -64 | 154.1 | -177.2 | 78.7 | 0 | 0 | 0 | 0 | 112.8 | S559 S563 F564 A565 | S559-S561 WeakPolarHBondContact OG-CB 3.45Å; S559-S561 PolarHBondContact OG-N 3.05Å; S559-S561 PolarHBondContact OG-OG 3.32Å; S561-S563 PolarHBondContact O-N 3.13Å; S561-S563 PolarHBondContact OG-OG 3.25Å; S561-F564 PolarHBondContact O-N 2.95Å; S561-F564 WeakPolarHBondContact OG-CB 3.26Å; S561-F564 PolarHBondContact OG-N 3.4Å; S561-F564 VanDerWaalsContact OG-N 3.1Å; S561-A565 PolarHBondContact O-N 3.36Å | ||
| 562 | K | 81.6 | Confident | 78.7 | Confident | 189 Ų | 189 | 58.2 Ų | 58.2 | 82% | 0.822 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -60 | -36.2 | 173.7 | -69.4 | -178.8 | 178.9 | 177.1 | 0 | 112.4 | A565 T566 | K562-A565 PolarHBondContact O-N 3.03Å; K562-T566 PolarHBondContact O-N 2.81Å; K562-T566 PolarHBondContact O-OG1 3.07Å |
| 563 | S | 82.6 | Confident | 77.7 | Confident | 16 Ų | 16 | 67 Ų | 67 | 11% | 0.112 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -65.5 | -42 | 178.5 | 53.4 | 0 | 0 | 0 | 0 | 111.6 | E538 S561 T566 I567 | E538-S563 WeakPolarHBondContact O-CB 3.34Å; E538-S563 WeakPolarHBondContact OE2-CB 3.19Å; S561-S563 PolarHBondContact O-N 3.13Å; S561-S563 PolarHBondContact OG-OG 3.25Å; S563-T566 WeakPolarHBondContact O-CB 3.48Å; S563-T566 PolarHBondContact O-N 3.46Å; S563-I567 WeakPolarHBondContact O-CG1 3.42Å; S563-I567 PolarHBondContact O-N 2.98Å |
| 564 | F | 84.1 | Confident | 76.1 | Confident | 12 Ų | 12 | 70.4 Ų | 70.4 | 5% | 0.053 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -65.7 | -40.2 | 174.3 | -168.6 | -106.7 | 0 | 0 | 0 | 112.7 | F553 L558 S559 S561 T566 I567 K568 | F553-F564 HydrophobicContact CD1-CE2 4.4Å; F553-F564 HydrophobicContact CE1-CD2 4.37Å; F553-F564 AromaticContact CE1-CE2 3.72Å; F553-F564 HydrophobicContact CE1-CE2 3.72Å; F553-F564 HydrophobicContact CZ-CD2 4.36Å; F553-F564 AromaticContact CZ-CE2 3.79Å; F553-F564 HydrophobicContact CZ-CE2 3.79Å; L558-F564 HydrophobicContact CB-CZ 4.47Å; S559-F564 WeakPolarHBondContact O-CD1 3.42Å; S561-F564 PolarHBondContact O-N 2.95Å; S561-F564 WeakPolarHBondContact OG-CB 3.26Å; S561-F564 PolarHBondContact OG-N 3.4Å; S561-F564 VanDerWaalsContact OG-N 3.1Å; F564-T566 VanDerWaalsContact C-N 3.29Å; F564-T566 PolarHBondContact O-N 3.2Å; F564-I567 PolarHBondContact O-N 2.98Å; F564-K568 WeakPolarHBondContact O-CB 3.46Å; F564-K568 PolarHBondContact O-N 2.88Å |
| 565 | A | 83.9 | Confident | 74.7 | Confident | 60 Ų | 60 | 73.4 Ų | 73.4 | 50% | 0.496 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -61.7 | -37.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | S561 K562 K568 A569 | S561-A565 PolarHBondContact O-N 3.36Å; K562-A565 PolarHBondContact O-N 3.03Å; A565-K568 PolarHBondContact O-N 2.77Å; A565-A569 WeakPolarHBondContact O-CB 3.24Å; A565-A569 PolarHBondContact O-N 3.02Å |
| 566 | T | 82.9 | Confident | 73.3 | Confident | 63 Ų | 63 | 68.5 Ų | 68.5 | 39% | 0.387 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -66.7 | -46.4 | 176.8 | -55.3 | 0 | 0 | 0 | 0 | 111.3 | T539 K562 S563 F564 K568 A569 Q570 | T539-T566 HydrophobicContact CG2-CG2 4.15Å; K562-T566 PolarHBondContact O-N 2.81Å; K562-T566 PolarHBondContact O-OG1 3.07Å; S563-T566 WeakPolarHBondContact O-CB 3.48Å; S563-T566 PolarHBondContact O-N 3.46Å; F564-T566 VanDerWaalsContact C-N 3.29Å; F564-T566 PolarHBondContact O-N 3.2Å; T566-K568 VanDerWaalsContact C-N 3.3Å; T566-K568 PolarHBondContact O-N 3.43Å; T566-A569 PolarHBondContact O-N 3.48Å; T566-A569 VanDerWaalsContact O-N 3.12Å; T566-Q570 WeakPolarHBondContact O-CG 3.44Å; T566-Q570 PolarHBondContact O-N 3.31Å; T566-Q570 VanDerWaalsContact O-N 3.09Å |
| 567 | I | 82.7 | Confident | 71.9 | Confident | 4 Ų | 4 | 71.5 Ų | 71.5 | 2% | 0.021 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -54.8 | -48.1 | 173.4 | -70.5 | 161.2 | 0 | 0 | 0 | 110.2 | R536 L541 L554 S563 F564 A569 Q570 V571 | R536-I567 HydrophobicContact CG-CD1 4.28Å; L541-I567 HydrophobicContact CD1-CB 4.4Å; L541-I567 HydrophobicContact CD1-CD1 4.04Å; L541-I567 HydrophobicContact CD1-CG1 4.05Å; L541-I567 HydrophobicContact CD1-CG2 3.46Å; L541-I567 VanDerWaalsContact CD1-CG2 3.46Å; L541-I567 HydrophobicContact CD2-CD1 4.03Å; L541-I567 HydrophobicContact CG-CD1 4.12Å; L554-I567 HydrophobicContact CD2-CG2 3.8Å; S563-I567 WeakPolarHBondContact O-CG1 3.42Å; S563-I567 PolarHBondContact O-N 2.98Å; F564-I567 PolarHBondContact O-N 2.98Å; I567-A569 VanDerWaalsContact C-N 3.27Å; I567-A569 PolarHBondContact O-N 2.88Å; I567-Q570 PolarHBondContact O-N 3.01Å; I567-V571 WeakPolarHBondContact O-CG2 3.47Å |
| 568 | K | 81.4 | Confident | 70.4 | Confident | 126 Ų | 126 | 72.9 Ų | 72.9 | 55% | 0.548 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -63 | -32.5 | 179.7 | -166.4 | 174.4 | -175.5 | 173.1 | 0 | 112.9 | F564 A565 T566 | F564-K568 WeakPolarHBondContact O-CB 3.46Å; F564-K568 PolarHBondContact O-N 2.88Å; A565-K568 PolarHBondContact O-N 2.77Å; T566-K568 VanDerWaalsContact C-N 3.3Å; T566-K568 PolarHBondContact O-N 3.43Å |
| 569 | A | 80 | Confident | 68.8 | Low | 83 Ų | 83 | 81.8 Ų | 81.8 | 69% | 0.686 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -75.8 | -25.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | A565 T566 I567 V571 | A565-A569 WeakPolarHBondContact O-CB 3.24Å; A565-A569 PolarHBondContact O-N 3.02Å; T566-A569 PolarHBondContact O-N 3.48Å; T566-A569 VanDerWaalsContact O-N 3.12Å; I567-A569 VanDerWaalsContact C-N 3.27Å; I567-A569 PolarHBondContact O-N 2.88Å; A569-V571 VanDerWaalsContact C-N 3.26Å; A569-V571 PolarHBondContact O-N 3.4Å |
| 570 | Q | 73.2 | Confident | 67.1 | Low | 121 Ų | 121 | 82.3 Ų | 82.3 | 57% | 0.565 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -74 | -17.2 | 176.4 | -72.9 | 176.1 | -7.8 | 0 | 0 | 113.2 | T566 I567 P572 | T566-Q570 WeakPolarHBondContact O-CG 3.44Å; T566-Q570 PolarHBondContact O-N 3.31Å; T566-Q570 VanDerWaalsContact O-N 3.09Å; I567-Q570 PolarHBondContact O-N 3.01Å; Q570-P572 VanDerWaalsContact O-CD 3.28Å; Q570-P572 WeakPolarHBondContact O-CD 3.21Å |
| 571 | V | 69.2 | Low | 65.4 | Low | 24 Ų | 24 | 85.2 Ų | 85.2 | 15% | 0.145 | 47% | 0.466 | C | S | . | . | S | Bend | trans | -69.4 | 119.1 | 179.9 | -177.9 | 0 | 0 | 0 | 0 | 108.8 | V545 L554 I567 A569 K573 M575 | V545-V571 HydrophobicContact CG1-CB 4.25Å; V545-V571 HydrophobicContact CG1-CG1 4.04Å; V545-V571 HydrophobicContact CG1-CG2 3.92Å; L554-V571 HydrophobicContact CD1-CB 4.32Å; L554-V571 HydrophobicContact CD1-CG1 4.13Å; L554-V571 HydrophobicContact CD1-CG2 3.28Å; L554-V571 HydrophobicContact CD2-CG2 4.08Å; L554-V571 HydrophobicContact CG-CG2 4.27Å; I567-V571 WeakPolarHBondContact O-CG2 3.47Å; A569-V571 VanDerWaalsContact C-N 3.26Å; A569-V571 PolarHBondContact O-N 3.4Å; V571-K573 PolarHBondContact O-N 3.02Å; V571-M575 HydrophobicContact CG1-CB 4.44Å |
| 572 | P | 61.9 | Low | 63.5 | Low | 57 Ų | 57 | 89.9 Ų | 89.9 | 37% | 0.37 | 49% | 0.487 | S | S | . | . | trans | -56.3 | 129.3 | 174.9 | -25.8 | 36.8 | 0 | 0 | 0 | 109.7 | Q570 S574 M575 | Q570-P572 VanDerWaalsContact O-CD 3.28Å; Q570-P572 WeakPolarHBondContact O-CD 3.21Å; P572-S574 WeakPolarHBondContact CB-OG 3.41Å; P572-S574 PolarHBondContact O-N 3.39Å; P572-M575 HydrophobicContact CG-CE 4.03Å; P572-M575 PolarHBondContact O-N 3.33Å | ||
| 573 | K | 58.5 | Low | 61.9 | Low | 201 Ų | 201 | 87 Ų | 87 | 87% | 0.874 | 49% | 0.488 | S | S | * | . | G | 310 helix | trans | -55.1 | -19.4 | 177.9 | -68.8 | -178.6 | -179.7 | 176 | 0 | 112.8 | V571 M575 | V571-K573 PolarHBondContact O-N 3.02Å; K573-M575 VanDerWaalsContact C-N 3.34Å |
| 574 | S | 50.4 | Low | 60.3 | Low | 70 Ų | 70 | 93.7 Ų | 93.7 | 49% | 0.49 | 52% | 0.515 | S | S | . | . | G | 310 helix | trans | -65.3 | -28.8 | 173.8 | 51.8 | 0 | 0 | 0 | 0 | 114.2 | P572 | P572-S574 WeakPolarHBondContact CB-OG 3.41Å; P572-S574 PolarHBondContact O-N 3.39Å |
| 575 | M | 47.7 | Very low | 58.8 | Low | 81 Ų | 81 | 96.5 Ų | 96.5 | 40% | 0.399 | 54% | 0.54 | S | S | . | . | G | 310 helix | trans | -85.3 | -9.7 | -178.5 | -63.7 | -163.1 | -153 | 0 | 0 | 114.1 | V545 V571 P572 K573 D577 | V545-M575 HydrophobicContact CG1-CE 4.46Å; V545-M575 HydrophobicContact CG1-SD 4.18Å; V571-M575 HydrophobicContact CG1-CB 4.44Å; P572-M575 HydrophobicContact CG-CE 4.03Å; P572-M575 PolarHBondContact O-N 3.33Å; K573-M575 VanDerWaalsContact C-N 3.34Å; M575-D577 VanDerWaalsContact C-N 3.32Å |
| 576 | A | 48 | Very low | 57.7 | Low | 73 Ų | 73 | 98.2 Ų | 98.2 | 60% | 0.603 | 54% | 0.541 | S | S | * | . | G | 310 helix | trans | -81 | -10.4 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 577 | D | 46.5 | Very low | 56.6 | Low | 81 Ų | 81 | 101.6 Ų | 101.6 | 43% | 0.433 | 56% | 0.556 | S | S | . | * | trans | -117 | 114.1 | -177 | -171 | -3.5 | 0 | 0 | 0 | 111 | M575 Y579 G580 | M575-D577 VanDerWaalsContact C-N 3.32Å; D577-Y579 PolarHBondContact O-N 2.96Å; D577-Y579 VanDerWaalsContact O-N 3.09Å; D577-Y579 PolarHBondContact OD1-N 3.22Å; D577-G580 PolarHBondContact O-N 2.76Å | ||
| 578 | P | 46.1 | Very low | 55.8 | Low | 103 Ų | 103 | 105.6 Ų | 105.6 | 67% | 0.669 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.1 | -14.6 | 176.1 | -19.6 | 31.5 | 0 | 0 | 0 | 114.2 | ||
| 579 | Y | 47.5 | Very low | 54.9 | Low | 187 Ų | 187 | 104.9 Ų | 104.9 | 73% | 0.733 | 60% | 0.596 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.7 | 10.4 | 175.6 | -59.7 | -78.9 | 0 | 0 | 0 | 113.2 | D577 M581 L582 | D577-Y579 PolarHBondContact O-N 2.96Å; D577-Y579 VanDerWaalsContact O-N 3.09Å; D577-Y579 PolarHBondContact OD1-N 3.22Å; Y579-M581 PolarHBondContact O-N 3.05Å; Y579-L582 PolarHBondContact O-N 2.93Å |
| 580 | G | 43.5 | Very low | 53.4 | Low | 23 Ų | 23 | 105.6 Ų | 105.6 | 24% | 0.237 | 59% | 0.588 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -68.8 | 5.5 | -178.4 | 0 | 0 | 0 | 0 | 0 | 116.7 | D577 | D577-G580 PolarHBondContact O-N 2.76Š|
| 581 | M | 41.2 | Very low | 52.6 | Low | 179 Ų | 179 | 103.5 Ų | 103.5 | 88% | 0.882 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.6 | -3 | 173.5 | -76.9 | -79.6 | 97.1 | 0 | 0 | 114.1 | Y579 P583 | Y579-M581 PolarHBondContact O-N 3.05Å; M581-P583 WeakPolarHBondContact O-CD 3.45Å |
| 582 | L | 41.8 | Very low | 52 | Low | 134 Ų | 134 | 107 Ų | 107 | 70% | 0.702 | 61% | 0.614 | S | S | * | * | S | Bend | trans | -64.2 | 127 | 166.4 | -72.5 | 168.8 | 0 | 0 | 0 | 108.6 | Y579 K584 | Y579-L582 PolarHBondContact O-N 2.93Å; L582-K584 PolarHBondContact O-N 3.33Å |
| 583 | P | 47.1 | Very low | 51.6 | Low | 129 Ų | 129 | 112.7 Ų | 112.7 | 84% | 0.838 | 63% | 0.634 | S | S | * | * | trans | -51.6 | 112.7 | 177.2 | -23.6 | 31.4 | 0 | 0 | 0 | 109.4 | M581 | M581-P583 WeakPolarHBondContact O-CD 3.45Š| ||
| 584 | K | 49.3 | Very low | 51.5 | Low | 156 Ų | 156 | 110.4 Ų | 110.4 | 68% | 0.678 | 62% | 0.624 | S | S | * | * | trans | -83.7 | 120.4 | 169.2 | -74.1 | -179.1 | 179.7 | 172.1 | 0 | 106.5 | L582 D586 | L582-K584 PolarHBondContact O-N 3.33Å; K584-D586 PolarHBondContact O-N 3.28Å | ||
| 585 | A | 52 | Low | 51.3 | Low | 71 Ų | 71 | 111.4 Ų | 111.4 | 59% | 0.587 | 63% | 0.628 | S | S | * | * | trans | -54.3 | 132.5 | 169.4 | 0 | 0 | 0 | 0 | 0 | 108.9 | L587 | A585-L587 PolarHBondContact O-N 2.87Š| ||
| 586 | D | 61.9 | Low | 51.5 | Low | 96 Ų | 96 | 115 Ų | 115 | 51% | 0.513 | 64% | 0.642 | S | S | . | * | trans | -64 | 104.9 | 177.9 | -177.7 | 5 | 0 | 0 | 0 | 109.7 | K584 A588 T589 | K584-D586 PolarHBondContact O-N 3.28Å; D586-A588 PolarHBondContact O-N 3.11Å; D586-A588 WeakPolarHBondContact OD1-CB 3.36Å; D586-A588 PolarHBondContact OD1-N 2.96Å; D586-T589 HydrophobicContact CB-CG2 4.18Å; D586-T589 PolarHBondContact O-N 3.36Å; D586-T589 VanDerWaalsContact O-N 3.07Å; D586-T589 PolarHBondContact O-OG1 3.26Å | ||
| 587 | L | 58.5 | Low | 51.5 | Low | 134 Ų | 134 | 120.4 Ų | 120.4 | 70% | 0.702 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.3 | -16.4 | 179.6 | -56.7 | 179.1 | 0 | 0 | 0 | 112.2 | A585 T589 L590 | A585-L587 PolarHBondContact O-N 2.87Å; L587-T589 VanDerWaalsContact C-N 3.29Å; L587-L590 HydrophobicContact CD2-CD1 3.5Å; L587-L590 PolarHBondContact O-N 2.89Å |
| 588 | A | 67.3 | Low | 51.4 | Low | 89 Ų | 89 | 120.6 Ų | 120.6 | 74% | 0.736 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.3 | -26.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | D586 | D586-A588 PolarHBondContact O-N 3.11Å; D586-A588 WeakPolarHBondContact OD1-CB 3.36Å; D586-A588 PolarHBondContact OD1-N 2.96Å |
| 589 | T | 61.5 | Low | 51.5 | Low | 110 Ų | 110 | 117.9 Ų | 117.9 | 68% | 0.675 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.3 | -18.2 | 174.5 | 66.1 | 0 | 0 | 0 | 0 | 112.9 | D586 L587 A591 | D586-T589 HydrophobicContact CB-CG2 4.18Å; D586-T589 PolarHBondContact O-N 3.36Å; D586-T589 VanDerWaalsContact O-N 3.07Å; D586-T589 PolarHBondContact O-OG1 3.26Å; L587-T589 VanDerWaalsContact C-N 3.29Å; T589-A591 PolarHBondContact O-N 2.89Å |
| 590 | L | 47.6 | Very low | 51.3 | Low | 98 Ų | 98 | 116 Ų | 116 | 51% | 0.513 | 66% | 0.66 | S | S | . | * | S | Bend | trans | -73.6 | 124.5 | 175.9 | -69.8 | 177.2 | 0 | 0 | 0 | 110 | L587 | L587-L590 HydrophobicContact CD2-CD1 3.5Å; L587-L590 PolarHBondContact O-N 2.89Å |
| 591 | A | 58.2 | Low | 51.5 | Low | 77 Ų | 77 | 116.9 Ų | 116.9 | 64% | 0.636 | 66% | 0.659 | S | S | * | * | P | Polyproline II helix | trans | -54.5 | 124.7 | 171.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | T589 F593 | T589-A591 PolarHBondContact O-N 2.89Å; A591-F593 PolarHBondContact O-N 3.48Å; A591-F593 VanDerWaalsContact O-N 3.14Å |
| 592 | P | 55.4 | Low | 51.9 | Low | 97 Ų | 97 | 111.7 Ų | 111.7 | 63% | 0.63 | 63% | 0.63 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 124.2 | -177.6 | 19.9 | -30.3 | 0 | 0 | 0 | 109.5 | K594 | P592-K594 PolarHBondContact O-N 2.9Š|
| 593 | F | 53.5 | Low | 52.2 | Low | 178 Ų | 178 | 112.5 Ų | 112.5 | 78% | 0.781 | 62% | 0.624 | S | S | * | * | trans | -61.3 | 97.6 | 175.9 | -179.7 | -107.1 | 0 | 0 | 0 | 109.5 | A591 P595 | A591-F593 PolarHBondContact O-N 3.48Å; A591-F593 VanDerWaalsContact O-N 3.14Å; F593-P595 HydrophobicContact CD1-CG 4.5Å; F593-P595 HydrophobicContact CE1-CB 4.16Å; F593-P595 HydrophobicContact CE1-CG 3.99Å; F593-P595 HydrophobicContact CZ-CB 4.15Å; F593-P595 HydrophobicContact CZ-CG 4.48Å; F593-P595 WeakPolarHBondContact O-CD 3.49Å | ||
| 594 | K | 55.9 | Low | 52.1 | Low | 153 Ų | 153 | 109.5 Ų | 109.5 | 67% | 0.665 | 61% | 0.61 | S | S | * | * | trans | -107.5 | 95.4 | 173.2 | -72.9 | -178.4 | -176.6 | 173.7 | 0 | 107.4 | P592 K596 | P592-K594 PolarHBondContact O-N 2.9Å; K594-K596 PolarHBondContact O-N 3.17Å | ||
| 595 | P | 46.1 | Very low | 52 | Low | 90 Ų | 90 | 106.3 Ų | 106.3 | 58% | 0.584 | 60% | 0.603 | S | S | * | * | trans | -62 | 105.7 | 173.5 | 24.6 | -30.7 | 0 | 0 | 0 | 108.1 | F593 | F593-P595 HydrophobicContact CD1-CG 4.5Å; F593-P595 HydrophobicContact CE1-CB 4.16Å; F593-P595 HydrophobicContact CE1-CG 3.99Å; F593-P595 HydrophobicContact CZ-CB 4.15Å; F593-P595 HydrophobicContact CZ-CG 4.48Å; F593-P595 WeakPolarHBondContact O-CD 3.49Å | ||
| 596 | K | 52.5 | Low | 51.7 | Low | 157 Ų | 157 | 108.4 Ų | 108.4 | 68% | 0.683 | 61% | 0.614 | S | S | * | * | trans | -92.3 | 130.1 | 168.6 | -68.6 | -177.3 | -177.3 | 175.6 | 0 | 106.8 | K594 A598 A599 | K594-K596 PolarHBondContact O-N 3.17Å; K596-A598 PolarHBondContact O-N 2.93Å; K596-A599 PolarHBondContact O-N 3.41Å | ||
| 597 | L | 47.7 | Very low | 51.2 | Low | 187 Ų | 187 | 107.6 Ų | 107.6 | 98% | 0.979 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.2 | -11.7 | 179.8 | -145.3 | 81.6 | 0 | 0 | 0 | 113.4 | ||
| 598 | A | 45.7 | Very low | 50.9 | Low | 85 Ų | 85 | 107.4 Ų | 107.4 | 70% | 0.702 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -138.8 | 63.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | K596 I600 | K596-A598 PolarHBondContact O-N 2.93Å; A598-I600 PolarHBondContact O-N 2.88Å |
| 599 | A | 46.5 | Very low | 50.6 | Low | 46 Ų | 46 | 107.4 Ų | 107.4 | 38% | 0.38 | 61% | 0.611 | S | S | . | * | P | Polyproline II helix | trans | -63.3 | 117.8 | 170.8 | 0 | 0 | 0 | 0 | 0 | 108.9 | K596 | K596-A599 PolarHBondContact O-N 3.41Š|
| 600 | I | 45.1 | Very low | 50.3 | Low | 148 Ų | 148 | 109.2 Ų | 109.2 | 76% | 0.759 | 61% | 0.606 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 136.6 | 173.2 | -64.6 | 166.7 | 0 | 0 | 0 | 107.3 | A598 Y602 A604 | A598-I600 PolarHBondContact O-N 2.88Å; I600-Y602 PolarHBondContact O-N 3.39Å; I600-A604 HydrophobicContact CG2-CB 4.43Å |
| 601 | D | 45.7 | Very low | 50.8 | Low | 41 Ų | 41 | 109.8 Ų | 109.8 | 22% | 0.219 | 62% | 0.619 | C | S | . | * | P | Polyproline II helix | trans | -50.2 | 127.3 | 179.2 | -160.6 | -12.9 | 0 | 0 | 0 | 110.1 | R603 A604 | D601-R603 VanDerWaalsContact CG-NH1 3.33Å; D601-R603 PolarHBondContact O-N 3.2Å; D601-R603 IonicContact OD1-NH1 3.56Å; D601-R603 PolarHBondContact OD1-NH1 3.47Å; D601-R603 VanDerWaalsContact OD1-NH1 3.11Å; D601-R603 IonicContact OD2-CZ 2.73Å; D601-R603 IonicContact OD2-NH1 3.82Å; D601-R603 PolarHBondContact OD2-NH1 2.96Å; D601-A604 PolarHBondContact O-N 3.4Å; D601-A604 VanDerWaalsContact O-N 3.07Å |
| 602 | Y | 50.6 | Low | 50.9 | Low | 70 Ų | 70 | 112 Ų | 112 | 28% | 0.275 | 62% | 0.624 | S | S | . | * | G | 310 helix | trans | -60 | -13.8 | -177.5 | 53.5 | -95.2 | 0 | 0 | 0 | 112.5 | I600 A604 V605 M621 I624 | I600-Y602 PolarHBondContact O-N 3.39Å; Y602-A604 PolarHBondContact O-N 2.93Å; Y602-V605 PolarHBondContact O-N 2.95Å; Y602-M621 PolarHBondContact OH-O 2.82Å; Y602-I624 PolarHBondContact OH-O 2.89Å |
| 603 | R | 48.9 | Very low | 51.6 | Low | 150 Ų | 150 | 110 Ų | 110 | 57% | 0.566 | 61% | 0.611 | S | S | * | * | G | 310 helix | trans | -53.6 | -16 | 168.7 | -66.2 | -176.6 | 174.4 | 83.2 | 9.9 | 114.2 | D601 | D601-R603 VanDerWaalsContact CG-NH1 3.33Å; D601-R603 PolarHBondContact O-N 3.2Å; D601-R603 IonicContact OD1-NH1 3.56Å; D601-R603 PolarHBondContact OD1-NH1 3.47Å; D601-R603 VanDerWaalsContact OD1-NH1 3.11Å; D601-R603 IonicContact OD2-CZ 2.73Å; D601-R603 IonicContact OD2-NH1 3.82Å; D601-R603 PolarHBondContact OD2-NH1 2.96Å |
| 604 | A | 44.7 | Very low | 52.6 | Low | 66 Ų | 66 | 105.2 Ų | 105.2 | 55% | 0.545 | 60% | 0.598 | S | S | . | * | G | 310 helix | trans | -117.1 | 23.7 | -175.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | I600 D601 Y602 S606 | I600-A604 HydrophobicContact CG2-CB 4.43Å; D601-A604 PolarHBondContact O-N 3.4Å; D601-A604 VanDerWaalsContact O-N 3.07Å; Y602-A604 PolarHBondContact O-N 2.93Å; A604-S606 VanDerWaalsContact C-N 3.3Å; A604-S606 PolarHBondContact O-N 2.66Å |
| 605 | V | 47.2 | Very low | 53.3 | Low | 89 Ų | 89 | 103.4 Ų | 103.4 | 54% | 0.539 | 60% | 0.602 | S | S | . | * | trans | -77.3 | 85 | 172.3 | -173.1 | 0 | 0 | 0 | 0 | 109.5 | Y602 D607 Y610 | Y602-V605 PolarHBondContact O-N 2.95Å; V605-D607 HydrophobicContact CG1-CB 4.1Å; V605-Y610 HydrophobicContact CG1-CD2 3.84Å; V605-Y610 HydrophobicContact CG1-CG 4.27Å | ||
| 606 | S | 44.6 | Very low | 54.5 | Low | 116 Ų | 116 | 102.6 Ų | 102.6 | 81% | 0.811 | 60% | 0.603 | S | S | * | * | trans | -93 | 37.6 | 164.3 | 64.3 | 0 | 0 | 0 | 0 | 111.1 | A604 | A604-S606 VanDerWaalsContact C-N 3.3Å; A604-S606 PolarHBondContact O-N 2.66Å | ||
| 607 | D | 51.2 | Low | 55.5 | Low | 79 Ų | 79 | 99.4 Ų | 99.4 | 42% | 0.422 | 59% | 0.593 | S | S | . | * | trans | -102.5 | 111.2 | 175.2 | -172.5 | -21.8 | 0 | 0 | 0 | 108.6 | V605 S609 Y610 | V605-D607 HydrophobicContact CG1-CB 4.1Å; D607-S609 PolarHBondContact O-N 3.16Å; D607-S609 WeakPolarHBondContact OD1-CB 3.49Å; D607-S609 PolarHBondContact OD1-N 2.99Å; D607-S609 VanDerWaalsContact OD1-N 3.08Å; D607-S609 PolarHBondContact OD1-OG 3.26Å; D607-S609 PolarHBondContact OD2-OG 2.83Å; D607-Y610 HydrophobicContact CB-CD2 3.96Å; D607-Y610 HydrophobicContact CB-CE2 4.2Å; D607-Y610 PolarHBondContact O-N 3.39Å | ||
| 608 | P | 53.5 | Low | 56.6 | Low | 129 Ų | 129 | 92.5 Ų | 92.5 | 84% | 0.838 | 56% | 0.563 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.8 | -11.1 | -177.5 | -21 | 31.8 | 0 | 0 | 0 | 114.8 | Y610 | P608-Y610 PolarHBondContact O-N 3.49Š|
| 609 | S | 60.3 | Low | 57.9 | Low | 89 Ų | 89 | 93.8 Ų | 93.8 | 62% | 0.622 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.6 | -11.4 | 177.9 | 60.6 | 0 | 0 | 0 | 0 | 114 | D607 | D607-S609 PolarHBondContact O-N 3.16Å; D607-S609 WeakPolarHBondContact OD1-CB 3.49Å; D607-S609 PolarHBondContact OD1-N 2.99Å; D607-S609 VanDerWaalsContact OD1-N 3.08Å; D607-S609 PolarHBondContact OD1-OG 3.26Å; D607-S609 PolarHBondContact OD2-OG 2.83Å |
| 610 | Y | 55.6 | Low | 59.1 | Low | 148 Ų | 148 | 95.4 Ų | 95.4 | 58% | 0.58 | 56% | 0.559 | S | S | * | * | S | Bend | trans | -102.3 | 124 | 176.1 | -63.8 | -87.3 | 0 | 0 | 0 | 110.5 | V605 D607 P608 T612 | V605-Y610 HydrophobicContact CG1-CD2 3.84Å; V605-Y610 HydrophobicContact CG1-CG 4.27Å; D607-Y610 HydrophobicContact CB-CD2 3.96Å; D607-Y610 HydrophobicContact CB-CE2 4.2Å; D607-Y610 PolarHBondContact O-N 3.39Å; P608-Y610 PolarHBondContact O-N 3.49Å; Y610-T612 PolarHBondContact O-N 3Å |
| 611 | S | 58.7 | Low | 60 | Low | 111 Ų | 111 | 91.9 Ų | 91.9 | 78% | 0.776 | 54% | 0.54 | S | S | * | . | P | Polyproline II helix | trans | -55.7 | 123.4 | 167.6 | 179.4 | 0 | 0 | 0 | 0 | 109 | ||
| 612 | T | 59.8 | Low | 61.1 | Low | 123 Ų | 123 | 93 Ų | 93 | 76% | 0.755 | 55% | 0.551 | S | S | * | * | P | Polyproline II helix | trans | -54.2 | 125.5 | 166.2 | 35.3 | 0 | 0 | 0 | 0 | 108.3 | Y610 | Y610-T612 PolarHBondContact O-N 3Š|
| 613 | P | 69.2 | Low | 62.1 | Low | 55 Ų | 55 | 95.9 Ų | 95.9 | 36% | 0.357 | 57% | 0.567 | S | S | . | * | P | Polyproline II helix | trans | -63 | 151.6 | 179.6 | 23.2 | -30.5 | 0 | 0 | 0 | 110.1 | I617 A618 M621 | P613-I617 HydrophobicContact CB-CB 4.05Å; P613-I617 HydrophobicContact CB-CG2 3.76Å; P613-A618 HydrophobicContact CG-CB 4.26Å; P613-M621 HydrophobicContact CG-SD 4.19Å |
| 614 | P | 74.8 | Confident | 63.1 | Low | 78 Ų | 78 | 93 Ų | 93 | 51% | 0.506 | 56% | 0.562 | S | S | . | * | P | Polyproline II helix | trans | -49.5 | 147.4 | 174.4 | -27.4 | 33.8 | 0 | 0 | 0 | 111.8 | A616 I617 A618 | P614-A616 PolarHBondContact O-N 3.36Å; P614-I617 HydrophobicContact CG-CD1 4.41Å; P614-I617 WeakPolarHBondContact O-CA 3.4Å; P614-I617 WeakPolarHBondContact O-CB 3.46Å; P614-I617 PolarHBondContact O-N 3.38Å; P614-A618 PolarHBondContact O-N 3.5Å |
| 615 | P | 71.2 | Confident | 63.9 | Low | 114 Ų | 114 | 94.3 Ų | 94.3 | 74% | 0.74 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -52.3 | -37.7 | -173 | -29 | 34.6 | 0 | 0 | 0 | 114.7 | A618 H619 | P615-A618 PolarHBondContact O-N 3.18Å; P615-H619 WeakPolarHBondContact O-CB 3.48Å; P615-H619 PolarHBondContact O-N 3.32Å |
| 616 | A | 71.4 | Confident | 64.6 | Low | 74 Ų | 74 | 90.9 Ų | 90.9 | 61% | 0.612 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -64 | -41.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | P614 H619 V620 | P614-A616 PolarHBondContact O-N 3.36Å; A616-H619 PolarHBondContact O-N 3.1Å; A616-V620 WeakPolarHBondContact O-CG2 3.09Å; A616-V620 PolarHBondContact O-N 3Å |
| 617 | I | 72.9 | Confident | 65.4 | Low | 90 Ų | 90 | 88.8 Ų | 88.8 | 46% | 0.462 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -68.9 | -42.6 | 176.4 | -61.7 | -166.4 | 0 | 0 | 0 | 110 | P613 P614 H619 V620 M621 | P613-I617 HydrophobicContact CB-CB 4.05Å; P613-I617 HydrophobicContact CB-CG2 3.76Å; P614-I617 HydrophobicContact CG-CD1 4.41Å; P614-I617 WeakPolarHBondContact O-CA 3.4Å; P614-I617 WeakPolarHBondContact O-CB 3.46Å; P614-I617 PolarHBondContact O-N 3.38Å; I617-H619 VanDerWaalsContact C-N 3.29Å; I617-H619 PolarHBondContact O-N 3.3Å; I617-V620 PolarHBondContact O-N 3.32Å; I617-M621 HydrophobicContact CG2-CG 4.17Å; I617-M621 HydrophobicContact CG2-SD 3.81Å; I617-M621 VanDerWaalsContact O-CB 3.3Å; I617-M621 WeakPolarHBondContact O-CB 3.32Å; I617-M621 WeakPolarHBondContact O-CG 3.39Å; I617-M621 PolarHBondContact O-N 3.18Å |
| 618 | A | 70.9 | Confident | 65.7 | Low | 42 Ų | 42 | 91.7 Ų | 91.7 | 35% | 0.347 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -59.1 | -41.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | P613 P614 P615 M621 S622 | P613-A618 HydrophobicContact CG-CB 4.26Å; P614-A618 PolarHBondContact O-N 3.5Å; P615-A618 PolarHBondContact O-N 3.18Å; A618-M621 PolarHBondContact O-N 2.94Å; A618-S622 WeakPolarHBondContact O-CB 3.36Å; A618-S622 PolarHBondContact O-N 3.34Å |
| 619 | H | 72.5 | Confident | 66.4 | Low | 111 Ų | 111 | 89.7 Ų | 89.7 | 51% | 0.514 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -64.9 | -49.6 | 176.8 | -173.7 | 67.9 | 0 | 0 | 0 | 112 | P615 A616 I617 M621 S622 Q623 | P615-H619 WeakPolarHBondContact O-CB 3.48Å; P615-H619 PolarHBondContact O-N 3.32Å; A616-H619 PolarHBondContact O-N 3.1Å; I617-H619 VanDerWaalsContact C-N 3.29Å; I617-H619 PolarHBondContact O-N 3.3Å; H619-M621 VanDerWaalsContact C-N 3.31Å; H619-M621 PolarHBondContact O-N 2.87Å; H619-S622 WeakPolarHBondContact O-CB 3.07Å; H619-S622 PolarHBondContact O-N 2.91Å; H619-S622 VanDerWaalsContact O-N 3.09Å; H619-S622 PolarHBondContact O-OG 3.47Å; H619-Q623 PolarHBondContact NE2-NE2 3.21Å; H619-Q623 PolarHBondContact O-N 3.42Å |
| 620 | V | 73 | Confident | 66.7 | Low | 81 Ų | 81 | 90.9 Ų | 90.9 | 49% | 0.491 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -57.8 | -46.4 | 175.4 | 171 | 0 | 0 | 0 | 0 | 110.4 | A616 I617 S622 Q623 I624 | A616-V620 WeakPolarHBondContact O-CG2 3.09Å; A616-V620 PolarHBondContact O-N 3Å; I617-V620 PolarHBondContact O-N 3.32Å; V620-S622 VanDerWaalsContact C-N 3.27Å; V620-S622 PolarHBondContact O-N 3.36Å; V620-Q623 WeakPolarHBondContact O-CB 3.34Å; V620-Q623 PolarHBondContact O-N 3.04Å; V620-I624 HydrophobicContact CG1-CD1 4.22Å; V620-I624 WeakPolarHBondContact O-CG1 3.14Å; V620-I624 PolarHBondContact O-N 3.06Å |
| 621 | M | 63 | Low | 67 | Low | 73 Ų | 73 | 94.8 Ų | 94.8 | 36% | 0.36 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -59.7 | -36.6 | 177.1 | -72.4 | 179.7 | 76.6 | 0 | 0 | 112.4 | Y602 P613 I617 A618 H619 Q623 I624 | Y602-M621 PolarHBondContact OH-O 2.82Å; P613-M621 HydrophobicContact CG-SD 4.19Å; I617-M621 HydrophobicContact CG2-CG 4.17Å; I617-M621 HydrophobicContact CG2-SD 3.81Å; I617-M621 VanDerWaalsContact O-CB 3.3Å; I617-M621 WeakPolarHBondContact O-CB 3.32Å; I617-M621 WeakPolarHBondContact O-CG 3.39Å; I617-M621 PolarHBondContact O-N 3.18Å; A618-M621 PolarHBondContact O-N 2.94Å; H619-M621 VanDerWaalsContact C-N 3.31Å; H619-M621 PolarHBondContact O-N 2.87Å; M621-Q623 PolarHBondContact O-N 3.23Å; M621-I624 PolarHBondContact O-N 3.06Å |
| 622 | S | 70.2 | Confident | 67.2 | Low | 64 Ų | 64 | 98.9 Ų | 98.9 | 45% | 0.448 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -65.8 | -25 | 177 | 79.7 | 0 | 0 | 0 | 0 | 113.8 | A618 H619 V620 | A618-S622 WeakPolarHBondContact O-CB 3.36Å; A618-S622 PolarHBondContact O-N 3.34Å; H619-S622 WeakPolarHBondContact O-CB 3.07Å; H619-S622 PolarHBondContact O-N 2.91Å; H619-S622 VanDerWaalsContact O-N 3.09Å; H619-S622 PolarHBondContact O-OG 3.47Å; V620-S622 VanDerWaalsContact C-N 3.27Å; V620-S622 PolarHBondContact O-N 3.36Å |
| 623 | Q | 71.5 | Confident | 67.5 | Low | 132 Ų | 132 | 98 Ų | 98 | 62% | 0.617 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -85.6 | -18 | 177.3 | -63.4 | -174.1 | -5.4 | 0 | 0 | 112.9 | H619 V620 M621 | H619-Q623 PolarHBondContact NE2-NE2 3.21Å; H619-Q623 PolarHBondContact O-N 3.42Å; V620-Q623 WeakPolarHBondContact O-CB 3.34Å; V620-Q623 PolarHBondContact O-N 3.04Å; M621-Q623 PolarHBondContact O-N 3.23Å |
| 624 | I | 68.7 | Low | 67.5 | Low | 89 Ų | 89 | 102.7 Ų | 102.7 | 46% | 0.456 | 55% | 0.545 | S | S | . | . | S | Bend | trans | -76.8 | 129.1 | -177.9 | -63.3 | 169 | 0 | 0 | 0 | 109.7 | Y602 V620 M621 | Y602-I624 PolarHBondContact OH-O 2.89Å; V620-I624 HydrophobicContact CG1-CD1 4.22Å; V620-I624 WeakPolarHBondContact O-CG1 3.14Å; V620-I624 PolarHBondContact O-N 3.06Å; M621-I624 PolarHBondContact O-N 3.06Å |
| 625 | P | 62 | Low | 67.2 | Low | 93 Ų | 93 | 103.8 Ų | 103.8 | 60% | 0.604 | 55% | 0.55 | S | S | * | * | P | Polyproline II helix | trans | -53 | 142.6 | 176.7 | -24.8 | 32.6 | 0 | 0 | 0 | 112.4 | C629 | P625-C629 HydrophobicContact CB-CB 3.96Š|
| 626 | S | 62.1 | Low | 67.6 | Low | 18 Ų | 18 | 101.8 Ų | 101.8 | 13% | 0.126 | 53% | 0.534 | C | S | . | . | P | Polyproline II helix | trans | -51 | 145.4 | 176.9 | 173 | 0 | 0 | 0 | 0 | 111 | Q628 C629 | S626-Q628 PolarHBondContact O-N 3.43Å; S626-Q628 PolarHBondContact OG-N 3.27Å; S626-C629 WeakPolarHBondContact O-CB 3.38Å; S626-C629 PolarHBondContact O-N 2.98Å |
| 627 | P | 61.3 | Low | 67.8 | Low | 71 Ų | 71 | 102.7 Ų | 102.7 | 46% | 0.461 | 53% | 0.532 | S | S | . | . | G | 310 helix | trans | -53.2 | -25 | 173.2 | -25 | 33.2 | 0 | 0 | 0 | 113 | C629 F630 | P627-C629 PolarHBondContact O-N 2.88Å; P627-F630 PolarHBondContact O-N 3.36Å |
| 628 | Q | 58.2 | Low | 68 | Low | 141 Ų | 141 | 104.5 Ų | 104.5 | 66% | 0.659 | 54% | 0.542 | S | S | * | . | G | 310 helix | trans | -68 | -18.7 | 175.2 | -59 | -174.9 | 10.7 | 0 | 0 | 113.8 | S626 F630 | S626-Q628 PolarHBondContact O-N 3.43Å; S626-Q628 PolarHBondContact OG-N 3.27Å; Q628-F630 PolarHBondContact O-N 2.86Å |
| 629 | C | 67.6 | Low | 68.4 | Low | 87 Ų | 87 | 109.5 Ų | 109.5 | 59% | 0.588 | 56% | 0.556 | S | S | * | * | G | 310 helix | trans | -71.3 | -20.8 | 173.3 | -61.2 | 0 | 0 | 0 | 0 | 111.9 | P625 S626 P627 R631 | P625-C629 HydrophobicContact CB-CB 3.96Å; S626-C629 WeakPolarHBondContact O-CB 3.38Å; S626-C629 PolarHBondContact O-N 2.98Å; P627-C629 PolarHBondContact O-N 2.88Å; C629-R631 PolarHBondContact O-N 2.86Å |
| 630 | F | 66.6 | Low | 68.6 | Low | 113 Ų | 113 | 108.3 Ų | 108.3 | 50% | 0.496 | 55% | 0.553 | S | S | . | * | trans | -82.3 | 98.8 | 178.3 | -171.3 | -101 | 0 | 0 | 0 | 110.9 | P627 Q628 W632 F634 | P627-F630 PolarHBondContact O-N 3.36Å; Q628-F630 PolarHBondContact O-N 2.86Å; F630-W632 HydrophobicContact CD2-CB 4.46Å; F630-W632 HydrophobicContact CE1-CB 4.3Å; F630-W632 WeakPolarHBondContact CE1-O 3.45Å; F630-W632 HydrophobicContact CE2-CB 3.86Å; F630-W632 HydrophobicContact CZ-CB 3.76Å; F630-F634 HydrophobicContact CE1-CD1 4.43Å; F630-F634 HydrophobicContact CE1-CE1 4.42Å | ||
| 631 | R | 60.7 | Low | 68.9 | Low | 231 Ų | 231 | 108 Ų | 108 | 87% | 0.872 | 55% | 0.548 | S | S | * | . | trans | -99.8 | 9.4 | 175.8 | -66.7 | -161.8 | 177.7 | -151.7 | 2.4 | 114.5 | C629 | C629-R631 PolarHBondContact O-N 2.86Š| ||
| 632 | W | 64.7 | Low | 69.9 | Low | 196 Ų | 196 | 108.9 Ų | 108.9 | 74% | 0.742 | 55% | 0.551 | S | S | * | * | S | Bend | trans | -94.7 | 158.3 | -174.6 | -67 | 95.6 | 0 | 0 | 0 | 111.8 | F630 | F630-W632 HydrophobicContact CD2-CB 4.46Å; F630-W632 HydrophobicContact CE1-CB 4.3Å; F630-W632 WeakPolarHBondContact CE1-O 3.45Å; F630-W632 HydrophobicContact CE2-CB 3.86Å; F630-W632 HydrophobicContact CZ-CB 3.76Å |
| 633 | P | 65.1 | Low | 70.5 | Confident | 106 Ų | 106 | 108.2 Ų | 108.2 | 69% | 0.688 | 55% | 0.549 | S | S | * | . | P | Polyproline II helix | trans | -61.8 | 141.1 | 176.1 | 22.2 | -31 | 0 | 0 | 0 | 111.7 | ||
| 634 | F | 68.7 | Low | 70.8 | Confident | 152 Ų | 152 | 107.4 Ų | 107.4 | 67% | 0.667 | 55% | 0.548 | S | S | * | . | P | Polyproline II helix | trans | -65.9 | 136.7 | 174 | -66.6 | -86.9 | 0 | 0 | 0 | 110.4 | F630 D636 | F630-F634 HydrophobicContact CE1-CD1 4.43Å; F630-F634 HydrophobicContact CE1-CE1 4.42Å; F634-D636 PolarHBondContact O-N 3.15Å |
| 635 | V | 69.7 | Low | 71.4 | Confident | 101 Ų | 101 | 110.3 Ų | 110.3 | 61% | 0.612 | 56% | 0.558 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 128.8 | 177.1 | 176.8 | 0 | 0 | 0 | 0 | 109.5 | V637 L640 | V635-V637 PolarHBondContact O-N 3.49Å; V635-L640 HydrophobicContact CG1-CB 3.82Å; V635-L640 HydrophobicContact CG1-CD2 4.1Å; V635-L640 HydrophobicContact CG1-CG 4.4Å |
| 636 | D | 78.4 | Confident | 72.5 | Confident | 73 Ų | 73 | 111 Ų | 111 | 39% | 0.39 | 56% | 0.557 | S | S | . | * | trans | -71.4 | 106.3 | 169.2 | -179.5 | -20.3 | 0 | 0 | 0 | 108.3 | F634 D638 K639 L640 | F634-D636 PolarHBondContact O-N 3.15Å; D636-D638 VanDerWaalsContact C-N 3.26Å; D636-D638 PolarHBondContact O-N 3.44Å; D636-D638 PolarHBondContact OD1-N 2.95Å; D636-K639 HydrophobicContact CB-CB 4.02Å; D636-K639 HydrophobicContact CB-CD 4.07Å; D636-K639 HydrophobicContact CB-CG 4.19Å; D636-K639 PolarHBondContact O-N 3.08Å; D636-K639 VanDerWaalsContact O-N 3.17Å; D636-K639 PolarHBondContact OD1-N 3.36Å; D636-K639 VanDerWaalsContact OD2-CD 3.29Å; D636-K639 WeakPolarHBondContact OD2-CD 3.45Å; D636-K639 VanDerWaalsContact OD2-CE 3.24Å; D636-K639 WeakPolarHBondContact OD2-CE 3.17Å; D636-K639 WeakPolarHBondContact OD2-CG 3.31Å; D636-K639 IonicContact OD2-NZ 3.64Å; D636-L640 PolarHBondContact O-N 2.92Å | ||
| 637 | V | 75.4 | Confident | 73.5 | Confident | 93 Ų | 93 | 114 Ų | 114 | 56% | 0.564 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -60.5 | -37.8 | -173.3 | 179.8 | 0 | 0 | 0 | 0 | 111.1 | V635 L640 I641 | V635-V637 PolarHBondContact O-N 3.49Å; V637-L640 PolarHBondContact O-N 3.43Å; V637-I641 HydrophobicContact CG1-CD1 3.84Å; V637-I641 HydrophobicContact CG1-CG1 4.34Å; V637-I641 WeakPolarHBondContact O-CB 3.47Å; V637-I641 WeakPolarHBondContact O-CG1 3.28Å; V637-I641 PolarHBondContact O-N 3.47Å |
| 638 | D | 78 | Confident | 74.3 | Confident | 127 Ų | 127 | 120 Ų | 120 | 68% | 0.679 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -67.6 | -39.4 | 179.6 | -67.1 | -42.8 | 0 | 0 | 0 | 111 | D636 I641 Q642 | D636-D638 VanDerWaalsContact C-N 3.26Å; D636-D638 PolarHBondContact O-N 3.44Å; D636-D638 PolarHBondContact OD1-N 2.95Å; D638-I641 PolarHBondContact O-N 2.91Å; D638-Q642 WeakPolarHBondContact O-CB 3.35Å; D638-Q642 PolarHBondContact O-N 3.37Å |
| 639 | K | 79.4 | Confident | 74.8 | Confident | 147 Ų | 147 | 120.1 Ų | 120.1 | 64% | 0.639 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -69.6 | -36.8 | 173.7 | -73.3 | -177.8 | -172.8 | 168.7 | 0 | 113.1 | D636 Q642 A643 | D636-K639 HydrophobicContact CB-CB 4.02Å; D636-K639 HydrophobicContact CB-CD 4.07Å; D636-K639 HydrophobicContact CB-CG 4.19Å; D636-K639 PolarHBondContact O-N 3.08Å; D636-K639 VanDerWaalsContact O-N 3.17Å; D636-K639 PolarHBondContact OD1-N 3.36Å; D636-K639 VanDerWaalsContact OD2-CD 3.29Å; D636-K639 WeakPolarHBondContact OD2-CD 3.45Å; D636-K639 VanDerWaalsContact OD2-CE 3.24Å; D636-K639 WeakPolarHBondContact OD2-CE 3.17Å; D636-K639 WeakPolarHBondContact OD2-CG 3.31Å; D636-K639 IonicContact OD2-NZ 3.64Å; K639-Q642 PolarHBondContact O-N 3.29Å; K639-A643 VanDerWaalsContact O-CB 3.29Å; K639-A643 WeakPolarHBondContact O-CB 3.46Å; K639-A643 PolarHBondContact O-N 2.91Å |
| 640 | L | 77.2 | Confident | 74.8 | Confident | 86 Ų | 86 | 120.5 Ų | 120.5 | 45% | 0.45 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -63.4 | -46 | 173.6 | 177.6 | 67.3 | 0 | 0 | 0 | 110.2 | V635 D636 V637 Q642 A643 L644 | V635-L640 HydrophobicContact CG1-CB 3.82Å; V635-L640 HydrophobicContact CG1-CD2 4.1Å; V635-L640 HydrophobicContact CG1-CG 4.4Å; D636-L640 PolarHBondContact O-N 2.92Å; V637-L640 PolarHBondContact O-N 3.43Å; L640-Q642 VanDerWaalsContact C-N 3.29Å; L640-Q642 PolarHBondContact O-N 3.21Å; L640-A643 PolarHBondContact O-N 3.04Å; L640-L644 HydrophobicContact CD1-CD1 4.45Å; L640-L644 HydrophobicContact CD1-CG 4.41Å; L640-L644 HydrophobicContact CG-CD1 4.11Å; L640-L644 HydrophobicContact CG-CG 4.49Å; L640-L644 WeakPolarHBondContact O-CB 3.41Å; L640-L644 VanDerWaalsContact O-CG 3.29Å; L640-L644 WeakPolarHBondContact O-CG 3.49Å; L640-L644 PolarHBondContact O-N 2.94Å |
| 641 | I | 78.9 | Confident | 74.8 | Confident | 75 Ų | 75 | 124.4 Ų | 124.4 | 39% | 0.385 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -58.9 | -44.4 | 175.1 | -70.9 | 167.9 | 0 | 0 | 0 | 110.1 | V637 D638 L644 K645 | V637-I641 HydrophobicContact CG1-CD1 3.84Å; V637-I641 HydrophobicContact CG1-CG1 4.34Å; V637-I641 WeakPolarHBondContact O-CB 3.47Å; V637-I641 WeakPolarHBondContact O-CG1 3.28Å; V637-I641 PolarHBondContact O-N 3.47Å; D638-I641 PolarHBondContact O-N 2.91Å; I641-L644 PolarHBondContact O-N 3.29Å; I641-K645 HydrophobicContact CG2-CD 4.27Å; I641-K645 VanDerWaalsContact O-CG 3.32Å; I641-K645 WeakPolarHBondContact O-CG 3.39Å; I641-K645 PolarHBondContact O-N 3.39Å |
| 642 | Q | 83.5 | Confident | 75 | Confident | 92 Ų | 92 | 118 Ų | 118 | 43% | 0.43 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -64.6 | -43.8 | 177.4 | -170.2 | 58 | 42.7 | 0 | 0 | 111.7 | D638 K639 L640 L644 K645 D646 | D638-Q642 WeakPolarHBondContact O-CB 3.35Å; D638-Q642 PolarHBondContact O-N 3.37Å; K639-Q642 PolarHBondContact O-N 3.29Å; L640-Q642 VanDerWaalsContact C-N 3.29Å; L640-Q642 PolarHBondContact O-N 3.21Å; Q642-L644 VanDerWaalsContact C-N 3.35Å; Q642-L644 PolarHBondContact O-N 3.2Å; Q642-K645 WeakPolarHBondContact O-CB 3.32Å; Q642-K645 PolarHBondContact O-N 2.9Å; Q642-K645 VanDerWaalsContact O-N 3.16Å; Q642-D646 PolarHBondContact NE2-OD1 3.17Å; Q642-D646 PolarHBondContact NE2-OD2 3.35Å; Q642-D646 WeakPolarHBondContact O-CB 3.19Å; Q642-D646 PolarHBondContact O-N 3.46Å |
| 643 | A | 81.8 | Confident | 74.7 | Confident | 50 Ų | 50 | 110.2 Ų | 110.2 | 41% | 0.413 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -60.8 | -43.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | K639 L640 K645 D646 V647 | K639-A643 VanDerWaalsContact O-CB 3.29Å; K639-A643 WeakPolarHBondContact O-CB 3.46Å; K639-A643 PolarHBondContact O-N 2.91Å; L640-A643 PolarHBondContact O-N 3.04Å; A643-K645 VanDerWaalsContact C-N 3.32Å; A643-K645 PolarHBondContact O-N 3.09Å; A643-D646 CarbonylContact O-C 3.09Å; A643-D646 PolarHBondContact O-N 3.42Å; A643-D646 VanDerWaalsContact O-N 3.12Å; A643-V647 VanDerWaalsContact O-CG2 3.29Å; A643-V647 WeakPolarHBondContact O-CG2 3.48Å; A643-V647 PolarHBondContact O-N 3.04Å |
| 644 | L | 79.8 | Confident | 74.6 | Confident | 114 Ų | 114 | 109.8 Ų | 109.8 | 60% | 0.597 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -62.6 | -37.5 | 175 | -73 | 170.4 | 0 | 0 | 0 | 112.3 | L640 I641 Q642 D646 V647 | L640-L644 HydrophobicContact CD1-CD1 4.45Å; L640-L644 HydrophobicContact CD1-CG 4.41Å; L640-L644 HydrophobicContact CG-CD1 4.11Å; L640-L644 HydrophobicContact CG-CG 4.49Å; L640-L644 WeakPolarHBondContact O-CB 3.41Å; L640-L644 VanDerWaalsContact O-CG 3.29Å; L640-L644 WeakPolarHBondContact O-CG 3.49Å; L640-L644 PolarHBondContact O-N 2.94Å; I641-L644 PolarHBondContact O-N 3.29Å; Q642-L644 VanDerWaalsContact C-N 3.35Å; Q642-L644 PolarHBondContact O-N 3.2Å; L644-D646 VanDerWaalsContact C-N 3.3Å; L644-V647 PolarHBondContact O-N 3.2Å |
| 645 | K | 79.9 | Confident | 74 | Confident | 151 Ų | 151 | 106.3 Ų | 106.3 | 66% | 0.657 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -66.6 | -33.5 | 173 | -75.3 | 174.9 | 177.6 | -180 | 0 | 112.4 | I641 Q642 A643 | I641-K645 HydrophobicContact CG2-CD 4.27Å; I641-K645 VanDerWaalsContact O-CG 3.32Å; I641-K645 WeakPolarHBondContact O-CG 3.39Å; I641-K645 PolarHBondContact O-N 3.39Å; Q642-K645 WeakPolarHBondContact O-CB 3.32Å; Q642-K645 PolarHBondContact O-N 2.9Å; Q642-K645 VanDerWaalsContact O-N 3.16Å; A643-K645 VanDerWaalsContact C-N 3.32Å; A643-K645 PolarHBondContact O-N 3.09Å |
| 646 | D | 86.3 | Confident | 73.5 | Confident | 108 Ų | 108 | 106.1 Ų | 106.1 | 58% | 0.578 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -86.3 | -13.7 | -178.5 | -62.9 | -20.1 | 0 | 0 | 0 | 112.6 | Q642 A643 L644 K648 | Q642-D646 PolarHBondContact NE2-OD1 3.17Å; Q642-D646 PolarHBondContact NE2-OD2 3.35Å; Q642-D646 WeakPolarHBondContact O-CB 3.19Å; Q642-D646 PolarHBondContact O-N 3.46Å; A643-D646 CarbonylContact O-C 3.09Å; A643-D646 PolarHBondContact O-N 3.42Å; A643-D646 VanDerWaalsContact O-N 3.12Å; L644-D646 VanDerWaalsContact C-N 3.3Å; D646-K648 PolarHBondContact O-N 3.31Å; D646-K648 VanDerWaalsContact O-N 3.11Å |
| 647 | V | 81.8 | Confident | 72.6 | Confident | 81 Ų | 81 | 107.7 Ų | 107.7 | 49% | 0.491 | 56% | 0.559 | S | S | . | * | trans | -64.3 | 112.4 | 174.5 | 163.9 | 0 | 0 | 0 | 0 | 109 | A643 L644 L649 | A643-V647 VanDerWaalsContact O-CG2 3.29Å; A643-V647 WeakPolarHBondContact O-CG2 3.48Å; A643-V647 PolarHBondContact O-N 3.04Å; L644-V647 PolarHBondContact O-N 3.2Å; V647-L649 HydrophobicContact CG1-CD2 4.16Å; V647-L649 HydrophobicContact CG1-CG 4.49Å; V647-L649 PolarHBondContact O-N 3.38Å | ||
| 648 | K | 78.1 | Confident | 71.8 | Confident | 196 Ų | 196 | 109.7 Ų | 109.7 | 85% | 0.852 | 57% | 0.574 | S | S | * | * | trans | -79.7 | 107.6 | 165.4 | -65 | -171.6 | 179.1 | -173.7 | 0 | 108.1 | D646 | D646-K648 PolarHBondContact O-N 3.31Å; D646-K648 VanDerWaalsContact O-N 3.11Å | ||
| 649 | L | 69.6 | Low | 71.1 | Confident | 144 Ų | 144 | 106.9 Ų | 106.9 | 75% | 0.754 | 58% | 0.575 | S | S | * | * | trans | -64.4 | 134.9 | 167.3 | -64.5 | 170.4 | 0 | 0 | 0 | 107.9 | V647 | V647-L649 HydrophobicContact CG1-CD2 4.16Å; V647-L649 HydrophobicContact CG1-CG 4.49Å; V647-L649 PolarHBondContact O-N 3.38Å | ||
| 650 | P | 67.5 | Low | 70.3 | Confident | 94 Ų | 94 | 106.3 Ų | 106.3 | 61% | 0.61 | 57% | 0.57 | S | S | * | * | trans | -58.9 | 141.1 | 172.4 | 23.7 | -30.5 | 0 | 0 | 0 | 109.6 | N652 | P650-N652 PolarHBondContact O-N 3.03Š| ||
| 651 | E | 65.9 | Low | 69.5 | Low | 195 Ų | 195 | 107.2 Ų | 107.2 | 91% | 0.911 | 58% | 0.581 | S | S | * | * | S | Bend | trans | -60.5 | -29.5 | -176.4 | -69.2 | -179.4 | 167.3 | 0 | 0 | 112.4 | ||
| 652 | N | 65.3 | Low | 68.7 | Low | 97 Ų | 97 | 110.1 Ų | 110.1 | 52% | 0.519 | 59% | 0.593 | S | S | . | * | S | Bend | trans | -112.9 | 134.6 | 175.8 | -60.9 | -18.4 | 0 | 0 | 0 | 108.9 | P650 E656 | P650-N652 PolarHBondContact O-N 3.03Å; N652-E656 WeakPolarHBondContact CA-OE2 3.35Å; N652-E656 HydrophobicContact CB-CB 4.04Å |
| 653 | G | 59.2 | Low | 67.6 | Low | 33 Ų | 33 | 106.1 Ų | 106.1 | 34% | 0.34 | 58% | 0.576 | S | S | . | * | trans | -57.7 | 153.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | F655 E656 | G653-F655 PolarHBondContact O-N 3.05Å; G653-E656 PolarHBondContact N-OE2 2.85Å; G653-E656 PolarHBondContact O-N 3.41Å | ||
| 654 | V | 62.3 | Low | 66.7 | Low | 96 Ų | 96 | 110.6 Ų | 110.6 | 58% | 0.582 | 59% | 0.588 | S | S | * | * | G | 310 helix | trans | -51 | -29.7 | 178.3 | -179 | 0 | 0 | 0 | 0 | 111.9 | ||
| 655 | F | 56.2 | Low | 66.3 | Low | 80 Ų | 80 | 110.7 Ų | 110.7 | 35% | 0.351 | 59% | 0.588 | S | S | . | * | G | 310 helix | trans | -84.9 | -1.8 | 179.9 | -54.1 | -65.9 | 0 | 0 | 0 | 115.3 | G653 A663 M666 | G653-F655 PolarHBondContact O-N 3.05Å; F655-A663 HydrophobicContact CB-CB 3.95Å; F655-A663 HydrophobicContact CD1-CB 3.64Å; F655-A663 HydrophobicContact CG-CB 4.28Å; F655-M666 HydrophobicContact CE1-CB 4.48Å; F655-M666 HydrophobicContact CE1-SD 4.41Å |
| 656 | E | 59 | Low | 65.6 | Low | 97 Ų | 97 | 108.6 Ų | 108.6 | 45% | 0.453 | 58% | 0.582 | S | S | . | * | G | 310 helix | trans | -100.8 | 1.2 | 178.1 | -69.3 | 173.7 | 173.8 | 0 | 0 | 112.3 | N652 G653 R667 | N652-E656 WeakPolarHBondContact CA-OE2 3.35Å; N652-E656 HydrophobicContact CB-CB 4.04Å; G653-E656 PolarHBondContact N-OE2 2.85Å; G653-E656 PolarHBondContact O-N 3.41Å; E656-R667 IonicContact OE1-NH2 3.53Å; E656-R667 PolarHBondContact OE1-NH2 2.9Å |
| 657 | Q | 59.6 | Low | 64.8 | Low | 105 Ų | 105 | 108.9 Ų | 108.9 | 49% | 0.491 | 58% | 0.575 | S | S | . | * | S | Bend | trans | -77.8 | 126.2 | 174 | -62.6 | -171.5 | 0.4 | 0 | 0 | 109.9 | G659 | Q657-G659 PolarHBondContact O-N 3.35Š|
| 658 | P | 58.1 | Low | 64.2 | Low | 136 Ų | 136 | 111.9 Ų | 111.9 | 88% | 0.883 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.1 | 120.2 | 175.9 | 23 | -30.1 | 0 | 0 | 0 | 110 | ||
| 659 | G | 64.2 | Low | 64 | Low | 67 Ų | 67 | 106.7 Ų | 106.7 | 69% | 0.691 | 56% | 0.562 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 135.8 | -0.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 117 | Q657 P661 | Q657-G659 PolarHBondContact O-N 3.35Å; G659-P661 WeakPolarHBondContact O-CD 3.29Å |
| 660 | Y | 63 | Low | 63.9 | Low | 135 Ų | 135 | 105.4 Ų | 105.4 | 53% | 0.529 | 55% | 0.554 | S | S | . | * | trans | -116.7 | 87.6 | 177.8 | -70 | -91.2 | 0 | 0 | 0 | 111.3 | E662 A663 | Y660-E662 PolarHBondContact O-N 3.23Å; Y660-A663 WeakPolarHBondContact O-CB 3.5Å; Y660-A663 PolarHBondContact O-N 3.29Å | ||
| 661 | P | 59.7 | Low | 64.2 | Low | 106 Ų | 106 | 104.3 Ų | 104.3 | 69% | 0.688 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -57.8 | -28.2 | 173 | -20 | 30.9 | 0 | 0 | 0 | 112.6 | G659 A663 E664 | G659-P661 WeakPolarHBondContact O-CD 3.29Å; P661-A663 PolarHBondContact O-N 3Å; P661-E664 PolarHBondContact O-N 2.93Å |
| 662 | E | 61.2 | Low | 64.4 | Low | 135 Ų | 135 | 100.8 Ų | 100.8 | 63% | 0.631 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -66.5 | -23 | 175.4 | -66.1 | 153.9 | 178.4 | 0 | 0 | 112.7 | Y660 E664 M666 | Y660-E662 PolarHBondContact O-N 3.23Å; E662-E664 VanDerWaalsContact C-N 3.33Å; E662-E664 PolarHBondContact O-N 2.96Å; E662-M666 PolarHBondContact O-N 2.97Å |
| 663 | A | 60.7 | Low | 64.5 | Low | 9 Ų | 9 | 99.2 Ų | 99.2 | 7% | 0.074 | 52% | 0.518 | C | S | . | . | H | α-helix | trans | -64.3 | -38 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | F655 Y660 P661 R667 | F655-A663 HydrophobicContact CB-CB 3.95Å; F655-A663 HydrophobicContact CD1-CB 3.64Å; F655-A663 HydrophobicContact CG-CB 4.28Å; Y660-A663 WeakPolarHBondContact O-CB 3.5Å; Y660-A663 PolarHBondContact O-N 3.29Å; P661-A663 PolarHBondContact O-N 3Å; A663-R667 VanDerWaalsContact O-CB 3.27Å; A663-R667 WeakPolarHBondContact O-CB 3.25Å; A663-R667 PolarHBondContact O-N 3.31Å |
| 664 | E | 63.6 | Low | 64.8 | Low | 144 Ų | 144 | 105.1 Ų | 105.1 | 67% | 0.673 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -71.6 | -42.6 | -178.1 | -161.4 | 131.2 | -152.1 | 0 | 0 | 111.1 | P661 E662 R667 E668 | P661-E664 PolarHBondContact O-N 2.93Å; E662-E664 VanDerWaalsContact C-N 3.33Å; E662-E664 PolarHBondContact O-N 2.96Å; E664-R667 PolarHBondContact O-N 2.9Å; E664-E668 PolarHBondContact O-N 3.27Å |
| 665 | I | 70.9 | Confident | 64.6 | Low | 116 Ų | 116 | 108.6 Ų | 108.6 | 60% | 0.595 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -60.7 | -47 | 173.9 | -59.6 | 174.5 | 0 | 0 | 0 | 110.5 | R667 E668 E669 | I665-R667 VanDerWaalsContact C-N 3.33Å; I665-R667 PolarHBondContact O-N 3.16Å; I665-E668 PolarHBondContact O-N 3.15Å; I665-E669 WeakPolarHBondContact O-CB 3.34Å; I665-E669 PolarHBondContact O-N 3.44Å |
| 666 | M | 65.7 | Low | 64.6 | Low | 106 Ų | 106 | 109.6 Ų | 109.6 | 52% | 0.522 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -66.4 | -32.5 | 176 | -81.7 | -158.9 | -171 | 0 | 0 | 112.9 | F655 E662 E669 M670 | F655-M666 HydrophobicContact CE1-CB 4.48Å; F655-M666 HydrophobicContact CE1-SD 4.41Å; E662-M666 PolarHBondContact O-N 2.97Å; M666-E669 PolarHBondContact O-N 3.27Å; M666-M670 WeakPolarHBondContact O-CB 3.42Å; M666-M670 PolarHBondContact O-N 3.14Å |
| 667 | R | 68.4 | Low | 64.3 | Low | 115 Ų | 115 | 110.2 Ų | 110.2 | 43% | 0.434 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -67.8 | -45.9 | 176.9 | -147 | -174.4 | -118.7 | -141.6 | -1.3 | 110.1 | E656 A663 E664 I665 E669 M670 V671 | E656-R667 IonicContact OE1-NH2 3.53Å; E656-R667 PolarHBondContact OE1-NH2 2.9Å; A663-R667 VanDerWaalsContact O-CB 3.27Å; A663-R667 WeakPolarHBondContact O-CB 3.25Å; A663-R667 PolarHBondContact O-N 3.31Å; E664-R667 PolarHBondContact O-N 2.9Å; I665-R667 VanDerWaalsContact C-N 3.33Å; I665-R667 PolarHBondContact O-N 3.16Å; R667-E669 VanDerWaalsContact C-N 3.28Å; R667-E669 PolarHBondContact O-N 2.97Å; R667-M670 PolarHBondContact O-N 3.44Å; R667-V671 WeakPolarHBondContact O-CB 3.27Å; R667-V671 WeakPolarHBondContact O-CG2 3.49Å; R667-V671 PolarHBondContact O-N 3.03Å |
| 668 | E | 70.4 | Confident | 63.9 | Low | 144 Ų | 144 | 107.8 Ų | 107.8 | 67% | 0.673 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -61 | -39.9 | 173.3 | -75 | -168.2 | 156.3 | 0 | 0 | 111.5 | E664 I665 V671 R672 | E664-E668 PolarHBondContact O-N 3.27Å; I665-E668 PolarHBondContact O-N 3.15Å; E668-V671 PolarHBondContact O-N 3.32Å; E668-R672 VanDerWaalsContact O-CB 3.28Å; E668-R672 WeakPolarHBondContact O-CB 3.48Å; E668-R672 PolarHBondContact O-N 3.18Å |
| 669 | E | 73.6 | Confident | 63.1 | Low | 86 Ų | 86 | 105 Ų | 105 | 40% | 0.402 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -68 | -43.5 | 177.9 | -160.6 | 157.7 | -138.3 | 0 | 0 | 112.5 | I665 M666 R667 R672 V673 | I665-E669 WeakPolarHBondContact O-CB 3.34Å; I665-E669 PolarHBondContact O-N 3.44Å; M666-E669 PolarHBondContact O-N 3.27Å; R667-E669 VanDerWaalsContact C-N 3.28Å; R667-E669 PolarHBondContact O-N 2.97Å; E669-R672 WeakPolarHBondContact O-CB 3.49Å; E669-R672 PolarHBondContact O-N 3.42Å; E669-R672 IonicContact OE1-CZ 3.8Å; E669-R672 IonicContact OE1-NH1 2.86Å; E669-R672 IonicContact OE1-NH2 3.65Å; E669-R672 PolarHBondContact OE1-NH2 2.99Å; E669-V673 WeakPolarHBondContact O-CB 3.41Å; E669-V673 VanDerWaalsContact O-CG2 3.29Å; E669-V673 WeakPolarHBondContact O-CG2 3.44Å; E669-V673 PolarHBondContact O-N 2.87Å |
| 670 | M | 68.1 | Low | 61.9 | Low | 118 Ų | 118 | 106.3 Ų | 106.3 | 58% | 0.581 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -62.5 | -43.6 | 172.9 | -88.1 | -170.1 | 167.1 | 0 | 0 | 111.6 | M666 R667 R672 V673 F674 | M666-M670 WeakPolarHBondContact O-CB 3.42Å; M666-M670 PolarHBondContact O-N 3.14Å; R667-M670 PolarHBondContact O-N 3.44Å; M670-R672 VanDerWaalsContact C-N 3.32Å; M670-V673 PolarHBondContact O-N 3.31Å; M670-F674 WeakPolarHBondContact O-CB 3.25Å; M670-F674 PolarHBondContact O-N 2.77Å |
| 671 | V | 72.2 | Confident | 60.7 | Low | 71 Ų | 71 | 103.5 Ų | 103.5 | 43% | 0.43 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -64.2 | -39.4 | 176.2 | 169.5 | 0 | 0 | 0 | 0 | 110.3 | R667 E668 F674 R675 | R667-V671 WeakPolarHBondContact O-CB 3.27Å; R667-V671 WeakPolarHBondContact O-CG2 3.49Å; R667-V671 PolarHBondContact O-N 3.03Å; E668-V671 PolarHBondContact O-N 3.32Å; V671-F674 PolarHBondContact O-N 2.91Å; V671-R675 VanDerWaalsContact O-CB 3.31Å; V671-R675 WeakPolarHBondContact O-CB 3.4Å; V671-R675 PolarHBondContact O-N 3.5Å |
| 672 | R | 70.8 | Confident | 59.4 | Low | 121 Ų | 121 | 105.9 Ų | 105.9 | 46% | 0.457 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -60.7 | -51.3 | 173.7 | -172.7 | -175.1 | 75.6 | -130.4 | 0.7 | 110.8 | E668 E669 M670 F674 R675 E676 | E668-R672 VanDerWaalsContact O-CB 3.28Å; E668-R672 WeakPolarHBondContact O-CB 3.48Å; E668-R672 PolarHBondContact O-N 3.18Å; E669-R672 WeakPolarHBondContact O-CB 3.49Å; E669-R672 PolarHBondContact O-N 3.42Å; E669-R672 IonicContact OE1-CZ 3.8Å; E669-R672 IonicContact OE1-NH1 2.86Å; E669-R672 IonicContact OE1-NH2 3.65Å; E669-R672 PolarHBondContact OE1-NH2 2.99Å; M670-R672 VanDerWaalsContact C-N 3.32Å; R672-F674 VanDerWaalsContact C-N 3.34Å; R672-F674 PolarHBondContact O-N 3.31Å; R672-R675 PolarHBondContact O-N 2.99Å; R672-R675 VanDerWaalsContact O-N 3.15Å; R672-E676 IonicContact NE-OE1 2.92Å; R672-E676 WeakPolarHBondContact O-CG 3.34Å; R672-E676 PolarHBondContact O-N 3.37Å |
| 673 | V | 68.4 | Low | 57.8 | Low | 64 Ų | 64 | 103.9 Ų | 103.9 | 39% | 0.388 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -61.2 | -41 | 177.6 | 171.3 | 0 | 0 | 0 | 0 | 111.4 | E669 M670 R675 E676 L677 | E669-V673 WeakPolarHBondContact O-CB 3.41Å; E669-V673 VanDerWaalsContact O-CG2 3.29Å; E669-V673 WeakPolarHBondContact O-CG2 3.44Å; E669-V673 PolarHBondContact O-N 2.87Å; M670-V673 PolarHBondContact O-N 3.31Å; V673-R675 VanDerWaalsContact C-N 3.34Å; V673-R675 PolarHBondContact O-N 3.11Å; V673-E676 PolarHBondContact O-N 3.4Å; V673-L677 HydrophobicContact CG1-CD1 3.89Å; V673-L677 HydrophobicContact CG1-CG 4.44Å; V673-L677 WeakPolarHBondContact O-CB 3.26Å; V673-L677 VanDerWaalsContact O-CG 3.25Å; V673-L677 WeakPolarHBondContact O-CG 3.27Å; V673-L677 PolarHBondContact O-N 3.38Å |
| 674 | F | 64.1 | Low | 56.3 | Low | 156 Ų | 156 | 109.4 Ų | 109.4 | 68% | 0.684 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -65 | -39.1 | 176 | -120.4 | -84.8 | 0 | 0 | 0 | 111.9 | M670 V671 R672 L677 A678 | M670-F674 WeakPolarHBondContact O-CB 3.25Å; M670-F674 PolarHBondContact O-N 2.77Å; V671-F674 PolarHBondContact O-N 2.91Å; R672-F674 VanDerWaalsContact C-N 3.34Å; R672-F674 PolarHBondContact O-N 3.31Å; F674-L677 PolarHBondContact O-N 2.96Å; F674-A678 VanDerWaalsContact O-CB 3.28Å; F674-A678 WeakPolarHBondContact O-CB 3.41Å; F674-A678 PolarHBondContact O-N 3.39Å |
| 675 | R | 57.9 | Low | 54.7 | Low | 170 Ų | 170 | 110.5 Ų | 110.5 | 64% | 0.642 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -69 | -41.5 | 177.4 | -146.9 | -176.7 | -61.1 | 174.3 | 1.1 | 110.7 | V671 R672 V673 A678 T679 | V671-R675 VanDerWaalsContact O-CB 3.31Å; V671-R675 WeakPolarHBondContact O-CB 3.4Å; V671-R675 PolarHBondContact O-N 3.5Å; R672-R675 PolarHBondContact O-N 2.99Å; R672-R675 VanDerWaalsContact O-N 3.15Å; V673-R675 VanDerWaalsContact C-N 3.34Å; V673-R675 PolarHBondContact O-N 3.11Å; R675-A678 PolarHBondContact O-N 3.36Å; R675-T679 WeakPolarHBondContact O-CG2 3.43Å; R675-T679 PolarHBondContact O-N 3.33Å; R675-T679 PolarHBondContact O-OG1 3.02Å |
| 676 | E | 56.9 | Low | 52.4 | Low | 101 Ų | 101 | 115.5 Ų | 115.5 | 47% | 0.472 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -58.4 | -49.8 | 172.4 | -75 | 171.6 | -171.6 | 0 | 0 | 110.6 | R672 V673 A678 T679 V680 | R672-E676 IonicContact NE-OE1 2.92Å; R672-E676 WeakPolarHBondContact O-CG 3.34Å; R672-E676 PolarHBondContact O-N 3.37Å; V673-E676 PolarHBondContact O-N 3.4Å; E676-A678 VanDerWaalsContact C-N 3.33Å; E676-A678 PolarHBondContact O-N 2.82Å; E676-T679 WeakPolarHBondContact CA-OG1 3.5Å; E676-T679 PolarHBondContact O-N 3.39Å; E676-T679 VanDerWaalsContact O-N 3.14Å; E676-T679 PolarHBondContact O-OG1 3.23Å; E676-V680 VanDerWaalsContact O-CG2 3.29Å; E676-V680 WeakPolarHBondContact O-CG2 3.49Å; E676-V680 PolarHBondContact O-N 2.92Å |
| 677 | L | 52.2 | Low | 50.6 | Low | 110 Ų | 110 | 118.2 Ų | 118.2 | 58% | 0.576 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -61.8 | -37.4 | 176.5 | -72.9 | 167.6 | 0 | 0 | 0 | 113.1 | V673 F674 V680 A681 | V673-L677 HydrophobicContact CG1-CD1 3.89Å; V673-L677 HydrophobicContact CG1-CG 4.44Å; V673-L677 WeakPolarHBondContact O-CB 3.26Å; V673-L677 VanDerWaalsContact O-CG 3.25Å; V673-L677 WeakPolarHBondContact O-CG 3.27Å; V673-L677 PolarHBondContact O-N 3.38Å; F674-L677 PolarHBondContact O-N 2.96Å; L677-V680 PolarHBondContact O-N 3.34Å; L677-A681 PolarHBondContact O-N 2.84Å |
| 678 | A | 50.8 | Low | 48.8 | Very low | 54 Ų | 54 | 118.3 Ų | 118.3 | 45% | 0.446 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -68.2 | -37.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | F674 R675 E676 V680 A681 E682 | F674-A678 VanDerWaalsContact O-CB 3.28Å; F674-A678 WeakPolarHBondContact O-CB 3.41Å; F674-A678 PolarHBondContact O-N 3.39Å; R675-A678 PolarHBondContact O-N 3.36Å; E676-A678 VanDerWaalsContact C-N 3.33Å; E676-A678 PolarHBondContact O-N 2.82Å; A678-V680 VanDerWaalsContact C-N 3.35Å; A678-A681 WeakPolarHBondContact O-CB 3.46Å; A678-A681 PolarHBondContact O-N 3.24Å; A678-A681 VanDerWaalsContact O-N 3.17Å; A678-E682 PolarHBondContact O-N 3.38Å |
| 679 | T | 41.7 | Very low | 46.6 | Very low | 77 Ų | 77 | 119.6 Ų | 119.6 | 47% | 0.472 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -71 | -27.3 | 174.9 | 55.5 | 0 | 0 | 0 | 0 | 113.2 | R675 E676 A681 E682 S683 | R675-T679 WeakPolarHBondContact O-CG2 3.43Å; R675-T679 PolarHBondContact O-N 3.33Å; R675-T679 PolarHBondContact O-OG1 3.02Å; E676-T679 WeakPolarHBondContact CA-OG1 3.5Å; E676-T679 PolarHBondContact O-N 3.39Å; E676-T679 VanDerWaalsContact O-N 3.14Å; E676-T679 PolarHBondContact O-OG1 3.23Å; T679-A681 VanDerWaalsContact C-N 3.27Å; T679-A681 PolarHBondContact O-N 3.3Å; T679-E682 PolarHBondContact O-N 2.79Å; T679-S683 PolarHBondContact O-N 3.01Å; T679-S683 PolarHBondContact O-OG 2.64Å |
| 680 | V | 39.4 | Very low | 44.2 | Very low | 94 Ų | 94 | 119.1 Ų | 119.1 | 57% | 0.57 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -66.3 | -31.3 | 170 | -175.6 | 0 | 0 | 0 | 0 | 111 | E676 L677 A678 E682 S683 | E676-V680 VanDerWaalsContact O-CG2 3.29Å; E676-V680 WeakPolarHBondContact O-CG2 3.49Å; E676-V680 PolarHBondContact O-N 2.92Å; L677-V680 PolarHBondContact O-N 3.34Å; A678-V680 VanDerWaalsContact C-N 3.35Å; V680-E682 VanDerWaalsContact C-N 3.32Å; V680-E682 PolarHBondContact O-N 3.17Å; V680-S683 PolarHBondContact O-OG 3.43Å |
| 681 | A | 37.2 | Very low | 42.1 | Very low | 77 Ų | 77 | 117 Ų | 117 | 64% | 0.636 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -70.8 | -26.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | L677 A678 T679 | L677-A681 PolarHBondContact O-N 2.84Å; A678-A681 WeakPolarHBondContact O-CB 3.46Å; A678-A681 PolarHBondContact O-N 3.24Å; A678-A681 VanDerWaalsContact O-N 3.17Å; T679-A681 VanDerWaalsContact C-N 3.27Å; T679-A681 PolarHBondContact O-N 3.3Å |
| 682 | E | 32.2 | Very low | 39.7 | Very low | 155 Ų | 155 | 122.4 Ų | 122.4 | 72% | 0.724 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -88.9 | -16.9 | 179.5 | -70.3 | -176.6 | 169.4 | 0 | 0 | 113.8 | A678 T679 V680 T684 | A678-E682 PolarHBondContact O-N 3.38Å; T679-E682 PolarHBondContact O-N 2.79Å; V680-E682 VanDerWaalsContact C-N 3.32Å; V680-E682 PolarHBondContact O-N 3.17Å; E682-T684 PolarHBondContact O-N 3.03Å |
| 683 | S | 29.6 | Very low | 37.6 | Very low | 94 Ų | 94 | 128.3 Ų | 128.3 | 66% | 0.657 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.6 | 8.9 | -171 | 36.5 | 0 | 0 | 0 | 0 | 116 | T679 V680 | T679-S683 PolarHBondContact O-N 3.01Å; T679-S683 PolarHBondContact O-OG 2.64Å; V680-S683 PolarHBondContact O-OG 3.43Å |
| 684 | T | 28.7 | Very low | 35.4 | Very low | 125 Ų | 125 | 135.7 Ų | 135.7 | 77% | 0.767 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99 | 8.2 | 173.6 | 13.3 | 0 | 0 | 0 | 0 | 115.3 | E682 Y686 | E682-T684 PolarHBondContact O-N 3.03Å; T684-Y686 VanDerWaalsContact C-N 3.33Å; T684-Y686 PolarHBondContact O-N 2.95Å |
| 685 | Q | 28.4 | Very low | 33.4 | Very low | 166 Ų | 166 | 134.6 Ų | 134.6 | 78% | 0.776 | 72% | 0.719 | S | S | * | * | trans | -88.1 | 49.1 | 176 | -68.9 | -171.5 | -1.6 | 0 | 0 | 113.7 | ||||
| 686 | Y | 22.9 | Very low | 31.9 | Very low | 221 Ų | 221 | 131.5 Ų | 131.5 | 87% | 0.867 | 73% | 0.73 | S | S | * | * | trans | -153.5 | 120.1 | 164.9 | -88.6 | -78.8 | 0 | 0 | 0 | 110.9 | T684 | T684-Y686 VanDerWaalsContact C-N 3.33Å; T684-Y686 PolarHBondContact O-N 2.95Å | ||
| 687 | L | 29.3 | Very low | 30.3 | Very low | 164 Ų | 164 | 131 Ų | 131 | 86% | 0.859 | 74% | 0.744 | S | S | * | * | trans | 149 | 146 | 143.8 | -79.8 | 177.2 | 0 | 0 | 0 | 112 | ||||
| 688 | P | 30.4 | Very low | 29 | Very low | 117 Ų | 117 | 133.2 Ų | 133.2 | 76% | 0.76 | 75% | 0.753 | S | S | * | * | -119.7 | 169.3 | -104.6 | 32.1 | -16 | 0 | 0 | 0 | 114.8 | |||||
| 689 | D | 22.7 | Very low | 27.8 | Very low | 170 Ų | 170 | 139.8 Ų | 139.8 | 91% | 0.909 | 77% | 0.771 | S | S | * | * | trans | -38.5 | 146.4 | 169.3 | -145.8 | -2.4 | 0 | 0 | 0 | 115.6 | ||||
| 690 | G | 23.9 | Very low | 26.8 | Very low | 77 Ų | 77 | 145.2 Ų | 145.2 | 79% | 0.794 | 79% | 0.792 | S | S | * | * | trans | 120.1 | 93.9 | 163.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 691 | G | 24 | Very low | 26.2 | Very low | 73 Ų | 73 | 149.7 Ų | 149.7 | 75% | 0.753 | 81% | 0.806 | S | S | * | * | trans | -171 | 54.7 | 171.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | R693 | G691-R693 PolarHBondContact O-N 3.34Š| ||
| 692 | E | 21.2 | Very low | 25.5 | Very low | 184 Ų | 184 | 154.5 Ų | 154.5 | 86% | 0.86 | 82% | 0.816 | S | S | * | * | trans | -49.6 | 117.7 | 168.5 | -68 | -179 | 154.1 | 0 | 0 | 111 | ||||
| 693 | R | 26.6 | Very low | 25 | Very low | 246 Ų | 246 | 152.4 Ų | 152.4 | 93% | 0.928 | 82% | 0.818 | S | S | * | * | trans | -122.8 | 98.8 | 159.6 | -82.5 | -171.9 | 177.7 | -180 | 0.6 | 110 | G691 | G691-R693 PolarHBondContact O-N 3.34Š| ||
| 694 | R | 22.8 | Very low | 24.9 | Very low | 219 Ų | 219 | 155.2 Ų | 155.2 | 83% | 0.826 | 83% | 0.826 | S | S | * | * | trans | -25.2 | 122.7 | 161.4 | -66.8 | 170.9 | -179.9 | 176.8 | -1.4 | 114 | ||||
| 695 | T | 21.7 | Very low | 24.6 | Very low | 133 Ų | 133 | 158.2 Ų | 158.2 | 82% | 0.816 | 83% | 0.831 | S | S | * | * | 15.6 | 108.6 | 130 | 41.6 | 0 | 0 | 0 | 0 | 116.7 | |||||
| 696 | A | 26.5 | Very low | 24.5 | Very low | 105 Ų | 105 | 159.4 Ų | 159.4 | 87% | 0.868 | 84% | 0.837 | S | S | * | * | trans | -117.7 | 85.2 | 145.8 | 0 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 697 | A | 23.5 | Very low | 24.7 | Very low | 91 Ų | 91 | 153.2 Ų | 153.2 | 75% | 0.752 | 83% | 0.831 | S | S | * | * | trans | -66.6 | 127.8 | 160.3 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 698 | M | 24.8 | Very low | 24.6 | Very low | 156 Ų | 156 | 153.2 Ų | 153.2 | 77% | 0.768 | 83% | 0.832 | S | S | * | * | trans | -165.3 | 123.9 | 148.2 | -104.9 | 174.3 | 85.6 | 0 | 0 | 107.4 | ||||
| 699 | F | 26.5 | Very low | 24.5 | Very low | 191 Ų | 191 | 153.8 Ų | 153.8 | 84% | 0.838 | 83% | 0.829 | S | S | * | * | trans | 89.1 | 59.2 | 177.2 | -49.1 | -70 | 0 | 0 | 0 | 116.9 | ||||
| 700 | E | 21.1 | Very low | 24.9 | Very low | 192 Ų | 192 | 151.6 Ų | 151.6 | 90% | 0.897 | 82% | 0.823 | S | S | * | * | trans | -107.9 | 114.5 | 135.1 | -76 | -173.8 | 169 | 0 | 0 | 107.2 | ||||
| 701 | E | 25.4 | Very low | 25.3 | Very low | 187 Ų | 187 | 152.9 Ų | 152.9 | 87% | 0.874 | 82% | 0.821 | S | S | * | * | trans | -168.6 | 104.2 | 151.9 | -110.9 | 174.7 | -156.6 | 0 | 0 | 106.5 | ||||
| 702 | E | 23.8 | Very low | 25.7 | Very low | 179 Ų | 179 | 157.7 Ų | 157.7 | 84% | 0.836 | 82% | 0.823 | S | S | * | * | 172.4 | 94.8 | 121.2 | -90.9 | 176.3 | -173.3 | 0 | 0 | 107.8 | |||||
| 703 | S | 21.7 | Very low | 26.3 | Very low | 110 Ų | 110 | 155 Ų | 155 | 77% | 0.769 | 82% | 0.821 | S | S | * | * | trans | -74.7 | 126.1 | 147.6 | 64.5 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 704 | D | 27.1 | Very low | 26.6 | Very low | 154 Ų | 154 | 146.1 Ų | 146.1 | 82% | 0.824 | 81% | 0.806 | S | S | * | * | trans | -136.1 | 115.8 | 147.5 | -91.2 | -25.8 | 0 | 0 | 0 | 107.7 | ||||
| 705 | E | 23.1 | Very low | 27.3 | Very low | 188 Ų | 188 | 143.4 Ų | 143.4 | 88% | 0.879 | 81% | 0.807 | S | S | * | * | trans | -60.1 | 127.6 | 157.5 | -63.8 | 177.9 | 153.2 | 0 | 0 | 107.9 | ||||
| 706 | E | 24.7 | Very low | 28.3 | Very low | 191 Ų | 191 | 141.2 Ų | 141.2 | 89% | 0.893 | 79% | 0.791 | S | S | * | * | -178.1 | 138.4 | 129 | -101.9 | -178.6 | -174.6 | 0 | 0 | 112.8 | |||||
| 707 | A | 27.4 | Very low | 29.3 | Very low | 91 Ų | 91 | 141.5 Ų | 141.5 | 75% | 0.752 | 78% | 0.776 | S | S | * | * | trans | 70.1 | 105.6 | 148.2 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 708 | N | 27.7 | Very low | 30.1 | Very low | 164 Ų | 164 | 145.9 Ų | 145.9 | 88% | 0.877 | 78% | 0.775 | S | S | * | * | trans | 5.8 | 125.3 | 138.7 | -84.3 | -26.8 | 0 | 0 | 0 | 119.1 | ||||
| 709 | D | 27.5 | Very low | 31.1 | Very low | 129 Ų | 129 | 147.7 Ų | 147.7 | 69% | 0.69 | 77% | 0.773 | S | S | * | * | trans | -35.8 | 132.5 | 156.6 | -179.7 | 25 | 0 | 0 | 0 | 115 | S711 | D709-S711 PolarHBondContact OD1-N 3.42Š| ||
| 710 | P | 31.1 | Very low | 32.6 | Very low | 123 Ų | 123 | 143 Ų | 143 | 80% | 0.799 | 76% | 0.76 | S | S | * | * | -149.9 | 83.6 | 118.1 | 35.5 | -15.7 | 0 | 0 | 0 | 112.4 | |||||
| 711 | S | 32.5 | Very low | 34.3 | Very low | 105 Ų | 105 | 142.7 Ų | 142.7 | 73% | 0.734 | 75% | 0.751 | S | S | * | * | trans | -123.1 | 10.3 | 173.9 | 64.5 | 0 | 0 | 0 | 0 | 116 | D709 P713 | D709-S711 PolarHBondContact OD1-N 3.42Å; S711-P713 WeakPolarHBondContact O-CD 3.45Å | ||
| 712 | H | 32.7 | Very low | 35.8 | Very low | 174 Ų | 174 | 141.5 Ų | 141.5 | 81% | 0.806 | 74% | 0.743 | S | S | * | * | trans | -108.9 | 96.2 | 164.5 | -114.4 | -70.8 | 0 | 0 | 0 | 111.5 | G714 | H712-G714 PolarHBondContact O-N 2.84Š| ||
| 713 | P | 33.1 | Very low | 37 | Very low | 127 Ų | 127 | 140.5 Ų | 140.5 | 83% | 0.825 | 74% | 0.736 | S | S | * | * | trans | -74.2 | 77.7 | 167.6 | 30.4 | -30.9 | 0 | 0 | 0 | 108.6 | S711 L715 | S711-P713 WeakPolarHBondContact O-CD 3.45Å; P713-L715 PolarHBondContact O-N 2.97Å | ||
| 714 | G | 34.1 | Very low | 38.5 | Very low | 59 Ų | 59 | 141.8 Ų | 141.8 | 61% | 0.608 | 73% | 0.731 | S | S | * | * | trans | -64.3 | 99.4 | 169.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | H712 D716 | H712-G714 PolarHBondContact O-N 2.84Å; G714-D716 VanDerWaalsContact C-N 3.34Å; G714-D716 PolarHBondContact O-N 3.49Å | ||
| 715 | L | 37.4 | Very low | 39.8 | Very low | 162 Ų | 162 | 142 Ų | 142 | 85% | 0.848 | 73% | 0.725 | S | S | * | * | trans | 20.8 | 66.6 | 148.5 | -71 | 156.4 | 0 | 0 | 0 | 115.1 | P713 I717 | P713-L715 PolarHBondContact O-N 2.97Å; L715-I717 VanDerWaalsContact C-N 3.29Å; L715-I717 PolarHBondContact O-N 3.26Å | ||
| 716 | D | 42.9 | Very low | 40.8 | Very low | 87 Ų | 87 | 139.2 Ų | 139.2 | 47% | 0.465 | 71% | 0.711 | S | S | . | * | trans | -76.9 | 86.8 | 173.7 | -175.3 | 2.4 | 0 | 0 | 0 | 109.1 | G714 Y718 R719 T720 | G714-D716 VanDerWaalsContact C-N 3.34Å; G714-D716 PolarHBondContact O-N 3.49Å; D716-Y718 PolarHBondContact O-N 2.9Å; D716-Y718 WeakPolarHBondContact OD1-CB 3.35Å; D716-Y718 PolarHBondContact OD1-N 3.27Å; D716-R719 PolarHBondContact O-N 3.48Å; D716-T720 PolarHBondContact O-N 3.32Å | ||
| 717 | I | 47 | Very low | 41.4 | Very low | 111 Ų | 111 | 135.1 Ų | 135.1 | 57% | 0.569 | 70% | 0.695 | S | S | * | * | H | α-helix | trans | -50.4 | -25.7 | 175.7 | -65.4 | 167.7 | 0 | 0 | 0 | 111.2 | L715 R721 | L715-I717 VanDerWaalsContact C-N 3.29Å; L715-I717 PolarHBondContact O-N 3.26Å; I717-R721 WeakPolarHBondContact O-CG 3.49Å; I717-R721 PolarHBondContact O-N 3.27Å |
| 718 | Y | 41.7 | Very low | 42.2 | Very low | 184 Ų | 184 | 135.8 Ų | 135.8 | 72% | 0.722 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -71.6 | -40.9 | 179.7 | -156.7 | -95.2 | 0 | 0 | 0 | 112.3 | D716 R721 K722 | D716-Y718 PolarHBondContact O-N 2.9Å; D716-Y718 WeakPolarHBondContact OD1-CB 3.35Å; D716-Y718 PolarHBondContact OD1-N 3.27Å; Y718-R721 PolarHBondContact O-N 3.01Å; Y718-K722 PolarHBondContact O-N 2.92Å |
| 719 | R | 45.5 | Very low | 43.1 | Very low | 193 Ų | 193 | 137.6 Ų | 137.6 | 73% | 0.728 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -66.8 | -38 | 174.5 | -85 | -176.1 | 173.9 | -161.3 | -0.6 | 112.3 | D716 R721 K722 K723 | D716-R719 PolarHBondContact O-N 3.48Å; R719-R721 PolarHBondContact O-N 3.02Å; R719-K722 PolarHBondContact O-N 2.76Å; R719-K723 PolarHBondContact O-N 3.46Å |
| 720 | T | 56.8 | Low | 43.7 | Very low | 93 Ų | 93 | 137.8 Ų | 137.8 | 57% | 0.571 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -63.9 | -40.6 | 177.5 | -48.9 | 0 | 0 | 0 | 0 | 111.8 | D716 K722 K723 M724 | D716-T720 PolarHBondContact O-N 3.32Å; T720-K722 PolarHBondContact O-N 3.47Å; T720-K723 PolarHBondContact O-N 3.38Å; T720-M724 PolarHBondContact O-N 3.09Å; T720-M724 VanDerWaalsContact O-N 3.11Å |
| 721 | R | 57.1 | Low | 44 | Very low | 185 Ų | 185 | 138.4 Ų | 138.4 | 70% | 0.698 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -66 | -35 | 175.3 | -75.7 | -179.1 | 176.7 | 178.1 | 0.6 | 112.9 | I717 Y718 R719 K725 | I717-R721 WeakPolarHBondContact O-CG 3.49Å; I717-R721 PolarHBondContact O-N 3.27Å; Y718-R721 PolarHBondContact O-N 3.01Å; R719-R721 PolarHBondContact O-N 3.02Å; R721-K725 PolarHBondContact O-N 3.18Å; R721-K725 VanDerWaalsContact O-N 3.14Å |
| 722 | K | 56.2 | Low | 44.1 | Very low | 162 Ų | 162 | 142.6 Ų | 142.6 | 70% | 0.704 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -70.3 | -35.6 | 176.7 | -156.3 | 177.3 | -177.7 | -178.5 | 0 | 112 | Y718 R719 T720 H726 | Y718-K722 PolarHBondContact O-N 2.92Å; R719-K722 PolarHBondContact O-N 2.76Å; T720-K722 PolarHBondContact O-N 3.47Å; K722-H726 PolarHBondContact O-N 3.48Å |
| 723 | K | 49.7 | Very low | 44.7 | Very low | 159 Ų | 159 | 141 Ų | 141 | 69% | 0.691 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -66.4 | -41.4 | 172.9 | -85.7 | -172.2 | 174.4 | -176.6 | 0 | 112.6 | R719 T720 H726 L727 | R719-K723 PolarHBondContact O-N 3.46Å; T720-K723 PolarHBondContact O-N 3.38Å; K723-H726 PolarHBondContact O-N 3.08Å; K723-H726 VanDerWaalsContact O-N 3.12Å; K723-L727 PolarHBondContact O-N 3Å |
| 724 | M | 53.8 | Low | 45.3 | Very low | 136 Ų | 136 | 141.7 Ų | 141.7 | 67% | 0.67 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -65 | -40 | 175.8 | -75.1 | -141 | 140.4 | 0 | 0 | 112.7 | T720 H726 L727 D728 | T720-M724 PolarHBondContact O-N 3.09Å; T720-M724 VanDerWaalsContact O-N 3.11Å; M724-H726 PolarHBondContact O-N 3.03Å; M724-L727 PolarHBondContact O-N 3.07Å; M724-D728 PolarHBondContact O-N 3.38Å |
| 725 | K | 53.5 | Low | 45.9 | Very low | 158 Ų | 158 | 146.3 Ų | 146.3 | 69% | 0.687 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -65.3 | -21.5 | 172.4 | -92.4 | -171 | 174.1 | -176.2 | 0 | 114.4 | R721 | R721-K725 PolarHBondContact O-N 3.18Å; R721-K725 VanDerWaalsContact O-N 3.14Å |
| 726 | H | 44.6 | Very low | 46.5 | Very low | 130 Ų | 130 | 145.4 Ų | 145.4 | 60% | 0.602 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -83.6 | -33.7 | 174.8 | -154.2 | 33 | 0 | 0 | 0 | 111.7 | K722 K723 M724 R729 | K722-H726 PolarHBondContact O-N 3.48Å; K723-H726 PolarHBondContact O-N 3.08Å; K723-H726 VanDerWaalsContact O-N 3.12Å; M724-H726 PolarHBondContact O-N 3.03Å; H726-R729 PolarHBondContact O-N 2.92Å |
| 727 | L | 36.5 | Very low | 46.7 | Very low | 105 Ų | 105 | 149.1 Ų | 149.1 | 55% | 0.55 | 69% | 0.686 | S | S | . | * | H | α-helix | trans | -67.5 | -38.4 | 171.3 | -98.3 | 123.3 | 0 | 0 | 0 | 112.7 | K723 M724 R729 L730 N731 | K723-L727 PolarHBondContact O-N 3Å; M724-L727 PolarHBondContact O-N 3.07Å; L727-R729 PolarHBondContact O-N 3.36Å; L727-L730 PolarHBondContact O-N 2.82Å; L727-L730 VanDerWaalsContact O-N 3.08Å; L727-N731 PolarHBondContact O-N 3.11Å |
| 728 | D | 44.1 | Very low | 46.7 | Very low | 105 Ų | 105 | 151.6 Ų | 151.6 | 56% | 0.561 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.5 | -18.5 | 175.2 | -74.3 | -18 | 0 | 0 | 0 | 113.3 | M724 | M724-D728 PolarHBondContact O-N 3.38Š|
| 729 | R | 47.9 | Very low | 47 | Very low | 203 Ų | 203 | 149.3 Ų | 149.3 | 77% | 0.766 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89 | -8.9 | 174.1 | -75.8 | -176 | 177.9 | -173.8 | -2.1 | 114 | H726 L727 | H726-R729 PolarHBondContact O-N 2.92Å; L727-R729 PolarHBondContact O-N 3.36Å |
| 730 | L | 40.4 | Very low | 47.1 | Very low | 132 Ų | 132 | 145.9 Ų | 145.9 | 69% | 0.691 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98 | -18.3 | 174.5 | -82.7 | 158.2 | 0 | 0 | 0 | 111.9 | L727 | L727-L730 PolarHBondContact O-N 2.82Å; L727-L730 VanDerWaalsContact O-N 3.08Å |
| 731 | N | 36.3 | Very low | 46.3 | Very low | 136 Ų | 136 | 150.3 Ų | 150.3 | 73% | 0.727 | 70% | 0.698 | S | S | * | * | trans | -98.1 | -6.2 | 176.2 | -75.6 | -13.7 | 0 | 0 | 0 | 113.9 | L727 | L727-N731 PolarHBondContact O-N 3.11Š| ||
| 732 | N | 35.8 | Very low | 45.3 | Very low | 193 Ų | 193 | 147.2 Ų | 147.2 | 100% | 1.032 | 70% | 0.698 | S | S | * | * | trans | -99.7 | 0 | 158.4 | -73.5 | -28 | 0 | 0 | 0 | 107.9 |
Retrieved 732 of 732 residues in 1739.9 ms
(Link to these results)