| 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 | 86.6 | Confident | 88.4 | Confident | 39 Ų | 39 | 33.3 Ų | 33.3 | 19% | 0.192 | 17% | 0.17 | C | C | . | . | 0 | -60.9 | 0 | -69.4 | -168.7 | 129.1 | 0 | 0 | 111.1 | I3 V4 S5 F65 T155 L159 V206 F207 F210 | M1-I3 PolarHBondContact O-N 3.08Å; M1-V4 WeakPolarHBondContact O-CG2 3.37Å; M1-V4 PolarHBondContact O-N 2.86Å; M1-S5 PolarHBondContact O-N 3.09Å; M1-S5 PolarHBondContact O-OG 3.41Å; M1-F65 HydrophobicContact CE-CD1 3.98Å; M1-F65 HydrophobicContact CE-CD2 4.24Å; M1-F65 HydrophobicContact CE-CE1 4.05Å; M1-F65 HydrophobicContact CE-CE2 4.29Å; M1-F65 HydrophobicContact CE-CG 4.09Å; M1-F65 HydrophobicContact CE-CZ 4.19Å; M1-F65 HydrophobicContact SD-CE1 4.12Å; M1-F65 HydrophobicContact SD-CE2 4.44Å; M1-F65 HydrophobicContact SD-CZ 4.01Å; M1-T155 HydrophobicContact CB-CG2 4.09Å; M1-T155 HydrophobicContact SD-CG2 3.74Å; M1-L159 HydrophobicContact SD-CD1 3.96Å; M1-V206 HydrophobicContact CG-CG1 4.45Å; M1-F207 HydrophobicContact CE-CD1 3.62Å; M1-F207 HydrophobicContact CE-CE1 3.82Å; M1-F207 HydrophobicContact CE-CG 4.15Å; M1-F207 HydrophobicContact CE-CZ 4.49Å; M1-F210 HydrophobicContact CE-CB 3.26Å; M1-F210 HydrophobicContact CE-CD1 3.66Å; M1-F210 HydrophobicContact CE-CD2 3.8Å; M1-F210 HydrophobicContact CE-CE1 4.42Å; M1-F210 HydrophobicContact CE-CG 3.29Å; M1-F210 HydrophobicContact CG-CD1 4.37Å; M1-F210 HydrophobicContact CG-CD2 4.31Å; M1-F210 HydrophobicContact CG-CE1 4.24Å; M1-F210 HydrophobicContact CG-CE2 4.16Å; M1-F210 HydrophobicContact CG-CG 4.41Å; M1-F210 HydrophobicContact CG-CZ 4.13Å; M1-F210 HydrophobicContact SD-CB 4.42Å; M1-F210 HydrophobicContact SD-CD1 3.69Å; M1-F210 HydrophobicContact SD-CD2 4.41Å; M1-F210 HydrophobicContact SD-CE1 3.97Å; M1-F210 HydrophobicContact SD-CG 3.93Å; M1-F210 HydrophobicContact SD-CZ 4.44Å | |||
| 2 | V | 91.5 | Very high | 88.8 | Confident | 17 Ų | 17 | 31.1 Ų | 31.1 | 10% | 0.103 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -47.6 | -52.8 | 179.4 | 176.7 | 0 | 0 | 0 | 0 | 113 | V4 S5 E6 | V2-V4 VanDerWaalsContact C-N 3.29Å; V2-V4 PolarHBondContact O-N 3.43Å; V2-V4 VanDerWaalsContact O-N 3.17Å; V2-S5 PolarHBondContact O-N 3.17Å; V2-E6 HydrophobicContact CG1-CG 3.61Å; V2-E6 WeakPolarHBondContact O-CB 3.49Å; V2-E6 WeakPolarHBondContact O-CG 3.36Å; V2-E6 PolarHBondContact O-N 3.46Å |
| 3 | I | 91.4 | Very high | 89.1 | Confident | 78 Ų | 78 | 28.8 Ų | 28.8 | 40% | 0.4 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -54.7 | -43.2 | -179.1 | -63.7 | 172.8 | 0 | 0 | 0 | 113.2 | M1 L7 L178 | M1-I3 PolarHBondContact O-N 3.08Å; I3-L7 WeakPolarHBondContact O-CB 3.48Å; I3-L7 PolarHBondContact O-N 2.8Å; I3-L178 HydrophobicContact CD1-CD1 3.95Å |
| 4 | V | 88.3 | Confident | 89.3 | Confident | 28 Ų | 28 | 28.4 Ų | 28.4 | 17% | 0.17 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -80.1 | -19.8 | -177.8 | -63.5 | 0 | 0 | 0 | 0 | 113.2 | M1 V2 I202 V206 | M1-V4 WeakPolarHBondContact O-CG2 3.37Å; M1-V4 PolarHBondContact O-N 2.86Å; V2-V4 VanDerWaalsContact C-N 3.29Å; V2-V4 PolarHBondContact O-N 3.43Å; V2-V4 VanDerWaalsContact O-N 3.17Å; V4-I202 HydrophobicContact CG1-CG2 4.3Å; V4-V206 HydrophobicContact CG1-CG2 4.46Å; V4-V206 HydrophobicContact CG2-CB 4.19Å; V4-V206 HydrophobicContact CG2-CG1 4.03Å |
| 5 | S | 85.6 | Confident | 89.6 | Confident | 3 Ų | 3 | 26.6 Ų | 26.6 | 2% | 0.021 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -81.1 | -39.1 | 173.7 | -58.5 | 0 | 0 | 0 | 0 | 111.8 | M1 V2 F207 | M1-S5 PolarHBondContact O-N 3.09Å; M1-S5 PolarHBondContact O-OG 3.41Å; V2-S5 PolarHBondContact O-N 3.17Å; S5-F207 VanDerWaalsContact OG-CE2 3.26Å; S5-F207 WeakPolarHBondContact OG-CE2 3.16Å; S5-F207 WeakPolarHBondContact OG-CZ 3.3Å |
| 6 | E | 88.9 | Confident | 89.9 | Confident | 3 Ų | 3 | 24.9 Ų | 24.9 | 1% | 0.014 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -87.9 | -31.4 | -172.6 | -62.1 | -75.3 | 135.8 | 0 | 0 | 112.9 | V2 G8 D9 F12 S152 H176 C179 | V2-E6 HydrophobicContact CG1-CG 3.61Å; V2-E6 WeakPolarHBondContact O-CB 3.49Å; V2-E6 WeakPolarHBondContact O-CG 3.36Å; V2-E6 PolarHBondContact O-N 3.46Å; E6-G8 PolarHBondContact O-N 3.47Å; E6-D9 PolarHBondContact O-N 2.98Å; E6-D9 VanDerWaalsContact O-N 3.11Å; E6-F12 WeakPolarHBondContact O-CB 3.2Å; E6-S152 WeakPolarHBondContact OE1-CB 3.4Å; E6-S152 PolarHBondContact OE1-OG 2.83Å; E6-H176 IonicContact OE1-CE1 2.73Å; E6-H176 PolarHBondContact OE1-CE1 3.4Å; E6-H176 VanDerWaalsContact OE1-CE1 3.28Å; E6-H176 IonicContact OE1-ND1 3.35Å; E6-H176 IonicContact OE2-CE1 3.81Å; E6-H176 IonicContact OE2-ND1 3.74Å; E6-H176 PolarHBondContact OE2-ND1 3.49Å; E6-C179 HydrophobicContact CB-CB 3.98Å |
| 7 | L | 87.8 | Confident | 90 | Very high | 34 Ų | 34 | 23.6 Ų | 23.6 | 18% | 0.178 | 12% | 0.12 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | 118.9 | -175.5 | -173.5 | 71.8 | 0 | 0 | 0 | 109.8 | I3 D9 F12 L182 I194 V199 | I3-L7 WeakPolarHBondContact O-CB 3.48Å; I3-L7 PolarHBondContact O-N 2.8Å; L7-D9 VanDerWaalsContact C-N 3.29Å; L7-F12 HydrophobicContact CD1-CD2 4.09Å; L7-F12 HydrophobicContact CD1-CE2 3.67Å; L7-F12 HydrophobicContact CD1-CZ 4.25Å; L7-L182 HydrophobicContact CD1-CD1 4.45Å; L7-I194 HydrophobicContact CD1-CD1 3.93Å; L7-V199 HydrophobicContact CB-CG1 3.72Å; L7-V199 HydrophobicContact CD2-CB 4.49Å; L7-V199 HydrophobicContact CD2-CG1 3.83Å; L7-V199 HydrophobicContact CD2-CG2 3.76Å; L7-V199 HydrophobicContact CG-CG1 3.89Å; L7-V199 HydrophobicContact CG-CG2 4.19Å; L7-V199 WeakPolarHBondContact O-CG1 3.46Å |
| 8 | G | 83.7 | Confident | 90.1 | Very high | 7 Ų | 7 | 22.3 Ų | 22.3 | 7% | 0.072 | 11% | 0.114 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 74.2 | 15.7 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | E6 F13 | E6-G8 PolarHBondContact O-N 3.47Å; G8-F13 WeakPolarHBondContact O-CE2 3.14Å |
| 9 | D | 87.9 | Confident | 90.3 | Very high | 22 Ų | 22 | 21.5 Ų | 21.5 | 12% | 0.118 | 11% | 0.111 | C | C | . | . | S | Bend | trans | -89.4 | 173.6 | 170.3 | -151.3 | -12.7 | 0 | 0 | 0 | 111.7 | E6 L7 T11 F12 F13 R151 | E6-D9 PolarHBondContact O-N 2.98Å; E6-D9 VanDerWaalsContact O-N 3.11Å; L7-D9 VanDerWaalsContact C-N 3.29Å; D9-T11 VanDerWaalsContact C-N 3.27Å; D9-T11 PolarHBondContact O-N 3.38Å; D9-F12 VanDerWaalsContact O-CB 3.27Å; D9-F12 WeakPolarHBondContact O-CB 3.22Å; D9-F12 PolarHBondContact O-N 3.15Å; D9-F13 WeakPolarHBondContact O-CD2 3.38Å; D9-F13 PolarHBondContact O-N 3.12Å; D9-F13 VanDerWaalsContact O-N 3.17Å; D9-R151 IonicContact OD1-NH2 3.92Å; D9-R151 IonicContact OD2-CZ 2.79Å; D9-R151 IonicContact OD2-NH2 2.76Å; D9-R151 PolarHBondContact OD2-NH2 2.98Å |
| 10 | K | 87.8 | Confident | 90.2 | Very high | 127 Ų | 127 | 23.4 Ų | 23.4 | 55% | 0.552 | 12% | 0.12 | S | C | * | . | H | α-helix | trans | -52.1 | -42.6 | -177.4 | -66.8 | -178.4 | 179.9 | -179 | 0 | 112.9 | F13 I14 | K10-F13 PolarHBondContact O-N 3.16Å; K10-I14 WeakPolarHBondContact O-CB 3.47Å; K10-I14 VanDerWaalsContact O-CG1 3.24Å; K10-I14 WeakPolarHBondContact O-CG1 3.3Å; K10-I14 PolarHBondContact O-N 3.25Å |
| 11 | T | 92.6 | Very high | 90 | Very high | 8 Ų | 8 | 26.1 Ų | 26.1 | 5% | 0.049 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -69.7 | -32.8 | -179.9 | 49.2 | 0 | 0 | 0 | 0 | 113.4 | D9 I14 A15 T143 A146 E147 | D9-T11 VanDerWaalsContact C-N 3.27Å; D9-T11 PolarHBondContact O-N 3.38Å; T11-I14 PolarHBondContact O-N 3.41Å; T11-A15 WeakPolarHBondContact O-CB 3.46Å; T11-A15 PolarHBondContact O-N 3.22Å; T11-T143 HydrophobicContact CG2-CG2 4.35Å; T11-A146 HydrophobicContact CG2-CB 3.4Å; T11-E147 WeakPolarHBondContact CB-OE1 3.22Å; T11-E147 HydrophobicContact CG2-CG 3.85Å; T11-E147 WeakPolarHBondContact CG2-OE1 3.24Å; T11-E147 PolarHBondContact OG1-OE1 3.39Å |
| 12 | F | 93.1 | Very high | 90.1 | Very high | 7 Ų | 7 | 26.6 Ų | 26.6 | 3% | 0.031 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -60.1 | -47.4 | 169.9 | -177.9 | -85.5 | 0 | 0 | 0 | 110.9 | E6 L7 D9 A15 A16 C179 L182 A183 I194 | E6-F12 WeakPolarHBondContact O-CB 3.2Å; L7-F12 HydrophobicContact CD1-CD2 4.09Å; L7-F12 HydrophobicContact CD1-CE2 3.67Å; L7-F12 HydrophobicContact CD1-CZ 4.25Å; D9-F12 VanDerWaalsContact O-CB 3.27Å; D9-F12 WeakPolarHBondContact O-CB 3.22Å; D9-F12 PolarHBondContact O-N 3.15Å; F12-A15 PolarHBondContact O-N 3.42Å; F12-A16 WeakPolarHBondContact O-CB 3.31Å; F12-A16 PolarHBondContact O-N 3.05Å; F12-C179 WeakPolarHBondContact CE2-O 3.24Å; F12-L182 HydrophobicContact CE2-CB 4.17Å; F12-A183 HydrophobicContact CD1-CB 4.41Å; F12-A183 HydrophobicContact CD2-CB 3.69Å; F12-A183 HydrophobicContact CE1-CB 4.4Å; F12-A183 HydrophobicContact CE2-CB 3.68Å; F12-A183 HydrophobicContact CG-CB 4.05Å; F12-A183 HydrophobicContact CZ-CB 4.05Å; F12-A183 WeakPolarHBondContact O-CB 3.25Å; F12-I194 HydrophobicContact CE1-CD1 4.18Å; F12-I194 HydrophobicContact CE2-CD1 4.42Å; F12-I194 HydrophobicContact CZ-CD1 3.66Å |
| 13 | F | 92.7 | Very high | 90 | Very high | 2 Ų | 2 | 28.9 Ų | 28.9 | 1% | 0.009 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -70.8 | -34.1 | 178.9 | -73.7 | -74.9 | 0 | 0 | 0 | 113.7 | G8 D9 K10 T17 A84 E87 L88 A91 V196 | G8-F13 WeakPolarHBondContact O-CE2 3.14Å; D9-F13 WeakPolarHBondContact O-CD2 3.38Å; D9-F13 PolarHBondContact O-N 3.12Å; D9-F13 VanDerWaalsContact O-N 3.17Å; K10-F13 PolarHBondContact O-N 3.16Å; F13-T17 VanDerWaalsContact O-CB 3.29Å; F13-T17 WeakPolarHBondContact O-CB 3.48Å; F13-T17 PolarHBondContact O-N 3.4Å; F13-T17 PolarHBondContact O-OG1 2.68Å; F13-A84 WeakPolarHBondContact CE1-O 3.45Å; F13-A84 HydrophobicContact CZ-CB 4.21Å; F13-E87 HydrophobicContact CD1-CB 4.29Å; F13-E87 HydrophobicContact CD2-CB 3.51Å; F13-E87 HydrophobicContact CD2-CG 4.33Å; F13-E87 HydrophobicContact CE1-CB 4.25Å; F13-E87 HydrophobicContact CE2-CB 3.45Å; F13-E87 VanDerWaalsContact CE2-CB 3.45Å; F13-E87 HydrophobicContact CE2-CG 4.06Å; F13-E87 HydrophobicContact CG-CB 3.95Å; F13-E87 HydrophobicContact CZ-CB 3.86Å; F13-L88 HydrophobicContact CD1-CB 3.77Å; F13-L88 HydrophobicContact CD1-CD1 4.06Å; F13-L88 HydrophobicContact CE1-CB 3.97Å; F13-A91 HydrophobicContact CB-CB 3.93Å; F13-V196 HydrophobicContact CE2-CG2 3.85Å; F13-V196 HydrophobicContact CZ-CG2 3.64Å |
| 14 | I | 92 | Very high | 90.1 | Very high | 23 Ų | 23 | 32.1 Ų | 32.1 | 12% | 0.118 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -61.3 | -50.6 | 171.3 | -73.2 | 166.4 | 0 | 0 | 0 | 110.2 | K10 T11 A16 T17 L18 L142 A146 | K10-I14 WeakPolarHBondContact O-CB 3.47Å; K10-I14 VanDerWaalsContact O-CG1 3.24Å; K10-I14 WeakPolarHBondContact O-CG1 3.3Å; K10-I14 PolarHBondContact O-N 3.25Å; T11-I14 PolarHBondContact O-N 3.41Å; I14-A16 PolarHBondContact O-N 3.04Å; I14-T17 PolarHBondContact O-N 3.3Å; I14-L18 HydrophobicContact CG2-CD1 3.77Å; I14-L18 HydrophobicContact CG2-CG 4.41Å; I14-L18 WeakPolarHBondContact O-CB 3.37Å; I14-L18 WeakPolarHBondContact O-CG 3.23Å; I14-L18 PolarHBondContact O-N 3.16Å; I14-L142 HydrophobicContact CG2-CB 3.91Å; I14-L142 HydrophobicContact CG2-CD1 4.5Å; I14-A146 HydrophobicContact CD1-CB 3.7Å |
| 15 | A | 94.3 | Very high | 90.3 | Very high | 1 Ų | 1 | 36 Ų | 36 | 1% | 0.008 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -62.7 | -42.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | T11 F12 T17 S19 T180 A183 V184 | T11-A15 WeakPolarHBondContact O-CB 3.46Å; T11-A15 PolarHBondContact O-N 3.22Å; F12-A15 PolarHBondContact O-N 3.42Å; A15-T17 PolarHBondContact O-N 2.87Å; A15-S19 VanDerWaalsContact O-CB 3.29Å; A15-S19 WeakPolarHBondContact O-CB 3.35Å; A15-S19 PolarHBondContact O-N 3.45Å; A15-S19 PolarHBondContact O-OG 3.42Å; A15-T180 HydrophobicContact CB-CG2 4.32Å; A15-A183 HydrophobicContact CB-CB 3.97Å; A15-V184 HydrophobicContact CB-CG2 4.28Å |
| 16 | A | 93.9 | Very high | 90.7 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -59.6 | -47.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111 | F12 I14 S19 M20 A183 | F12-A16 WeakPolarHBondContact O-CB 3.31Å; F12-A16 PolarHBondContact O-N 3.05Å; I14-A16 PolarHBondContact O-N 3.04Å; A16-S19 PolarHBondContact O-N 3.3Å; A16-S19 PolarHBondContact O-OG 3.33Å; A16-M20 HydrophobicContact CB-CE 4.23Å; A16-M20 VanDerWaalsContact O-CE 3.3Å; A16-M20 WeakPolarHBondContact O-CE 3.27Å; A16-M20 WeakPolarHBondContact O-CG 3.3Å; A16-M20 PolarHBondContact O-N 3.12Å; A16-A183 HydrophobicContact CB-CB 4.28Å |
| 17 | T | 92.1 | Very high | 91 | Very high | 2 Ų | 2 | 36.6 Ų | 36.6 | 1% | 0.012 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -66.8 | -44.8 | -178.2 | -60.9 | 0 | 0 | 0 | 0 | 112.6 | F13 I14 A15 S19 M20 L88 Q92 I95 | F13-T17 VanDerWaalsContact O-CB 3.29Å; F13-T17 WeakPolarHBondContact O-CB 3.48Å; F13-T17 PolarHBondContact O-N 3.4Å; F13-T17 PolarHBondContact O-OG1 2.68Å; I14-T17 PolarHBondContact O-N 3.3Å; A15-T17 PolarHBondContact O-N 2.87Å; T17-S19 VanDerWaalsContact C-N 3.28Å; T17-S19 PolarHBondContact O-N 2.97Å; T17-M20 WeakPolarHBondContact O-CB 3.38Å; T17-M20 PolarHBondContact O-N 3.1Å; T17-M20 VanDerWaalsContact O-N 3.15Å; T17-L88 WeakPolarHBondContact OG1-CD1 3.08Å; T17-Q92 HydrophobicContact CG2-CB 4.33Å; T17-Q92 HydrophobicContact CG2-CG 3.5Å; T17-Q92 VanDerWaalsContact CG2-CG 3.5Å; T17-I95 HydrophobicContact CG2-CD1 3.52Å |
| 18 | L | 92.2 | Very high | 91.4 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -61 | -39.1 | 175.6 | -72.8 | 170.9 | 0 | 0 | 0 | 111.3 | I14 M20 K21 Y22 V27 I95 A139 L142 | I14-L18 HydrophobicContact CG2-CD1 3.77Å; I14-L18 HydrophobicContact CG2-CG 4.41Å; I14-L18 WeakPolarHBondContact O-CB 3.37Å; I14-L18 WeakPolarHBondContact O-CG 3.23Å; I14-L18 PolarHBondContact O-N 3.16Å; L18-M20 PolarHBondContact O-N 3.15Å; L18-K21 PolarHBondContact O-N 3.33Å; L18-K21 VanDerWaalsContact O-N 3.1Å; L18-Y22 HydrophobicContact CB-CD2 4.43Å; L18-Y22 HydrophobicContact CD2-CD2 3.85Å; L18-Y22 HydrophobicContact CD2-CE2 3.72Å; L18-Y22 WeakPolarHBondContact O-CB 3.4Å; L18-Y22 PolarHBondContact O-N 2.92Å; L18-V27 HydrophobicContact CB-CB 4.49Å; L18-V27 HydrophobicContact CB-CG1 3.68Å; L18-V27 HydrophobicContact CB-CG2 3.92Å; L18-V27 HydrophobicContact CD1-CG1 4.46Å; L18-I95 HydrophobicContact CD2-CD1 3.95Å; L18-I95 HydrophobicContact CD2-CG2 4.4Å; L18-I95 HydrophobicContact CG-CD1 3.87Å; L18-A139 HydrophobicContact CD1-CB 3.96Å; L18-L142 HydrophobicContact CD1-CD1 3.77Å; L18-L142 HydrophobicContact CD2-CD1 3.88Å; L18-L142 HydrophobicContact CG-CD1 4.25Å |
| 19 | S | 92.6 | Very high | 92 | Very high | 8 Ų | 8 | 39.7 Ų | 39.7 | 6% | 0.056 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -66.3 | -16.7 | 178.5 | 80.3 | 0 | 0 | 0 | 0 | 114.4 | A15 A16 T17 V184 | A15-S19 VanDerWaalsContact O-CB 3.29Å; A15-S19 WeakPolarHBondContact O-CB 3.35Å; A15-S19 PolarHBondContact O-N 3.45Å; A15-S19 PolarHBondContact O-OG 3.42Å; A16-S19 PolarHBondContact O-N 3.3Å; A16-S19 PolarHBondContact O-OG 3.33Å; T17-S19 VanDerWaalsContact C-N 3.28Å; T17-S19 PolarHBondContact O-N 2.97Å; S19-V184 PolarHBondContact OG-O 3.36Å |
| 20 | M | 89.6 | Confident | 92.5 | Very high | 59 Ų | 59 | 38.7 Ų | 38.7 | 29% | 0.291 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -79.8 | -30.4 | 173.9 | -61 | 164.9 | -157.9 | 0 | 0 | 112.1 | A16 T17 L18 L88 G187 R188 | A16-M20 HydrophobicContact CB-CE 4.23Å; A16-M20 VanDerWaalsContact O-CE 3.3Å; A16-M20 WeakPolarHBondContact O-CE 3.27Å; A16-M20 WeakPolarHBondContact O-CG 3.3Å; A16-M20 PolarHBondContact O-N 3.12Å; T17-M20 WeakPolarHBondContact O-CB 3.38Å; T17-M20 PolarHBondContact O-N 3.1Å; T17-M20 VanDerWaalsContact O-N 3.15Å; L18-M20 PolarHBondContact O-N 3.15Å; M20-L88 HydrophobicContact CE-CD1 3.77Å; M20-G187 VanDerWaalsContact CE-C 3.49Å; M20-R188 HydrophobicContact CE-CB 4.07Å; M20-R188 HydrophobicContact CE-CG 3.26Å; M20-R188 VanDerWaalsContact CE-N 3.27Å; M20-R188 HydrophobicContact CG-CG 4.13Å; M20-R188 HydrophobicContact SD-CG 3.23Å; M20-R188 WeakPolarHBondContact SD-CG 3.33Å; M20-R188 PolarHBondContact SD-NE 3.2Å |
| 21 | K | 85.7 | Confident | 92.9 | Very high | 81 Ų | 81 | 32.7 Ų | 32.7 | 35% | 0.352 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -95.6 | -32.9 | -177 | -66.1 | -174.9 | 172.8 | -172.4 | 0 | 112.4 | L18 I95 E99 | L18-K21 PolarHBondContact O-N 3.33Å; L18-K21 VanDerWaalsContact O-N 3.1Å; K21-I95 HydrophobicContact CD-CG2 4.42Å; K21-E99 WeakPolarHBondContact CD-OE1 3.35Å; K21-E99 IonicContact NZ-OE1 3.28Å; K21-E99 PolarHBondContact NZ-OE1 3.38Å; K21-E99 IonicContact NZ-OE2 3.53Å; K21-E99 PolarHBondContact NZ-OE2 3.02Å |
| 22 | Y | 88 | Confident | 93.1 | Very high | 48 Ų | 48 | 33.5 Ų | 33.5 | 19% | 0.188 | 17% | 0.172 | C | C | . | . | S | Bend | trans | -123.1 | 171.4 | -170.2 | -57.9 | -55.8 | 0 | 0 | 0 | 112.7 | L18 R24 F131 V135 E138 | L18-Y22 HydrophobicContact CB-CD2 4.43Å; L18-Y22 HydrophobicContact CD2-CD2 3.85Å; L18-Y22 HydrophobicContact CD2-CE2 3.72Å; L18-Y22 WeakPolarHBondContact O-CB 3.4Å; L18-Y22 PolarHBondContact O-N 2.92Å; Y22-R24 PolarHBondContact O-N 2.91Å; Y22-F131 HydrophobicContact CD1-CZ 4.27Å; Y22-F131 HydrophobicContact CE1-CZ 4.48Å; Y22-V135 HydrophobicContact CD1-CG1 4.26Å; Y22-V135 HydrophobicContact CD1-CG2 3.55Å; Y22-V135 HydrophobicContact CD2-CG1 3.99Å; Y22-V135 HydrophobicContact CD2-CG2 4.45Å; Y22-V135 HydrophobicContact CE1-CG2 3.86Å; Y22-V135 HydrophobicContact CG-CB 4.44Å; Y22-V135 HydrophobicContact CG-CG1 3.69Å; Y22-V135 HydrophobicContact CG-CG2 3.87Å; Y22-E138 WeakPolarHBondContact CE2-OE2 3.26Å; Y22-E138 PolarHBondContact OH-OE2 3.44Å |
| 23 | S | 90.1 | Very high | 93.3 | Very high | 66 Ų | 66 | 35.8 Ų | 35.8 | 46% | 0.462 | 19% | 0.187 | S | C | . | . | trans | -60.5 | 120.8 | 177.1 | 176.9 | 0 | 0 | 0 | 0 | 111 | T25 V26 V27 | S23-T25 VanDerWaalsContact C-N 3.26Å; S23-T25 PolarHBondContact O-N 2.87Å; S23-V26 PolarHBondContact O-N 2.99Å; S23-V27 WeakPolarHBondContact O-CG2 3.31Å; S23-V27 PolarHBondContact O-N 2.91Å | ||
| 24 | R | 93.2 | Very high | 93.4 | Very high | 146 Ų | 146 | 35.7 Ų | 35.7 | 55% | 0.551 | 19% | 0.186 | S | C | * | . | H | α-helix | trans | -49.1 | -45.7 | -179.6 | -66.8 | -176.1 | -170.6 | 175.1 | 2 | 112.5 | Y22 V26 V27 F28 V184 | Y22-R24 PolarHBondContact O-N 2.91Å; R24-V26 VanDerWaalsContact C-N 3.34Å; R24-V26 PolarHBondContact O-N 2.92Å; R24-V27 PolarHBondContact O-N 3Å; R24-F28 VanDerWaalsContact O-CB 3.31Å; R24-F28 WeakPolarHBondContact O-CB 3.36Å; R24-F28 PolarHBondContact O-N 3.18Å; R24-V184 HydrophobicContact CB-CG1 3.53Å; R24-V184 HydrophobicContact CG-CG1 4.06Å; R24-V184 VanDerWaalsContact O-CG1 3.26Å; R24-V184 WeakPolarHBondContact O-CG1 3.26Å |
| 25 | T | 93.6 | Very high | 93.6 | Very high | 108 Ų | 108 | 34.8 Ų | 34.8 | 66% | 0.663 | 18% | 0.182 | S | C | * | . | H | α-helix | trans | -65.1 | -37.6 | -179.1 | -45.4 | 0 | 0 | 0 | 0 | 112.4 | S23 A29 | S23-T25 VanDerWaalsContact C-N 3.26Å; S23-T25 PolarHBondContact O-N 2.87Å; T25-A29 VanDerWaalsContact O-CB 3.3Å; T25-A29 WeakPolarHBondContact O-CB 3.29Å; T25-A29 PolarHBondContact O-N 3.42Å |
| 26 | V | 93.4 | Very high | 93.7 | Very high | 19 Ų | 19 | 39.5 Ų | 39.5 | 12% | 0.115 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -72.3 | -41.9 | -179.7 | -176.3 | 0 | 0 | 0 | 0 | 110.4 | S23 R24 A29 G30 I132 V135 F136 | S23-V26 PolarHBondContact O-N 2.99Å; R24-V26 VanDerWaalsContact C-N 3.34Å; R24-V26 PolarHBondContact O-N 2.92Å; V26-A29 PolarHBondContact O-N 2.76Å; V26-G30 PolarHBondContact O-N 3.39Å; V26-I132 HydrophobicContact CG1-CG2 3.99Å; V26-I132 WeakPolarHBondContact CG1-O 3.48Å; V26-I132 HydrophobicContact CG2-CG1 4.38Å; V26-I132 HydrophobicContact CG2-CG2 3.98Å; V26-V135 HydrophobicContact CB-CG1 4.16Å; V26-V135 HydrophobicContact CG1-CB 3.96Å; V26-V135 HydrophobicContact CG1-CG1 3.68Å; V26-F136 HydrophobicContact CG1-CB 3.9Å |
| 27 | V | 94.9 | Very high | 93.9 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -61.8 | -48.2 | 174.4 | 175.8 | 0 | 0 | 0 | 0 | 110.4 | L18 S23 R24 A29 G30 S31 V135 A139 V184 | L18-V27 HydrophobicContact CB-CB 4.49Å; L18-V27 HydrophobicContact CB-CG1 3.68Å; L18-V27 HydrophobicContact CB-CG2 3.92Å; L18-V27 HydrophobicContact CD1-CG1 4.46Å; S23-V27 WeakPolarHBondContact O-CG2 3.31Å; S23-V27 PolarHBondContact O-N 2.91Å; R24-V27 PolarHBondContact O-N 3Å; V27-A29 PolarHBondContact O-N 3.26Å; V27-G30 PolarHBondContact O-N 2.83Å; V27-S31 WeakPolarHBondContact O-CB 3.3Å; V27-S31 PolarHBondContact O-N 3.21Å; V27-S31 PolarHBondContact O-OG 2.79Å; V27-V135 HydrophobicContact CG2-CG1 4.26Å; V27-A139 HydrophobicContact CG1-CB 4.44Å; V27-V184 HydrophobicContact CG1-CG2 4.08Å |
| 28 | F | 96.6 | Very high | 94 | Very high | 69 Ų | 69 | 42.1 Ų | 42.1 | 30% | 0.303 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -57.3 | -48.2 | 176.1 | -178.8 | -95.4 | 0 | 0 | 0 | 111.6 | R24 G30 S31 I32 T180 V184 | R24-F28 VanDerWaalsContact O-CB 3.31Å; R24-F28 WeakPolarHBondContact O-CB 3.36Å; R24-F28 PolarHBondContact O-N 3.18Å; F28-G30 PolarHBondContact O-N 2.87Å; F28-S31 PolarHBondContact O-N 3.41Å; F28-I32 HydrophobicContact CD1-CG1 4.16Å; F28-I32 HydrophobicContact CD2-CG1 4.06Å; F28-I32 HydrophobicContact CE1-CG1 3.83Å; F28-I32 HydrophobicContact CE2-CD1 4.14Å; F28-I32 HydrophobicContact CE2-CG1 3.72Å; F28-I32 HydrophobicContact CG-CG1 4.27Å; F28-I32 HydrophobicContact CZ-CD1 4.23Å; F28-I32 HydrophobicContact CZ-CG1 3.6Å; F28-I32 WeakPolarHBondContact O-CB 3.32Å; F28-I32 VanDerWaalsContact O-CG1 3.3Å; F28-I32 WeakPolarHBondContact O-CG1 3.29Å; F28-I32 PolarHBondContact O-N 3.01Å; F28-T180 HydrophobicContact CD2-CG2 3.93Å; F28-T180 HydrophobicContact CE2-CG2 4.37Å; F28-V184 HydrophobicContact CB-CG1 4.25Å; F28-V184 HydrophobicContact CB-CG2 4.27Å |
| 29 | A | 96.8 | Very high | 94.2 | Very high | 38 Ų | 38 | 42.2 Ų | 42.2 | 31% | 0.314 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -61.2 | -44.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | T25 V26 V27 T33 F136 | T25-A29 VanDerWaalsContact O-CB 3.3Å; T25-A29 WeakPolarHBondContact O-CB 3.29Å; T25-A29 PolarHBondContact O-N 3.42Å; V26-A29 PolarHBondContact O-N 2.76Å; V27-A29 PolarHBondContact O-N 3.26Å; A29-T33 VanDerWaalsContact O-CB 3.28Å; A29-T33 WeakPolarHBondContact O-CB 3.28Å; A29-T33 PolarHBondContact O-N 3.22Å; A29-T33 PolarHBondContact O-OG1 3.38Å; A29-F136 HydrophobicContact CB-CD2 4.11Å; A29-F136 HydrophobicContact CB-CE2 3.98Å |
| 30 | G | 96.4 | Very high | 94.3 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -62.8 | -49.3 | 178 | 0 | 0 | 0 | 0 | 0 | 112.2 | V26 V27 F28 T33 A34 F140 | V26-G30 PolarHBondContact O-N 3.39Å; V27-G30 PolarHBondContact O-N 2.83Å; F28-G30 PolarHBondContact O-N 2.87Å; G30-T33 PolarHBondContact O-N 2.87Å; G30-A34 PolarHBondContact O-N 3.42Å; G30-A34 VanDerWaalsContact O-N 3.09Å; G30-F140 WeakPolarHBondContact O-CA 3.3Å |
| 31 | S | 96.4 | Very high | 94.6 | Very high | 1 Ų | 1 | 44.8 Ų | 44.8 | 1% | 0.007 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -64.2 | -47.7 | 179.1 | -68.2 | 0 | 0 | 0 | 0 | 112.5 | V27 F28 T33 A34 L35 T143 | V27-S31 WeakPolarHBondContact O-CB 3.3Å; V27-S31 PolarHBondContact O-N 3.21Å; V27-S31 PolarHBondContact O-OG 2.79Å; F28-S31 PolarHBondContact O-N 3.41Å; S31-T33 VanDerWaalsContact C-N 3.31Å; S31-T33 PolarHBondContact O-N 3.44Å; S31-A34 WeakPolarHBondContact O-CB 3.43Å; S31-A34 PolarHBondContact O-N 2.79Å; S31-A34 VanDerWaalsContact O-N 3.17Å; S31-L35 VanDerWaalsContact O-CG 3.31Å; S31-L35 WeakPolarHBondContact O-CG 3.35Å; S31-L35 PolarHBondContact O-N 3.41Å; S31-T143 PolarHBondContact OG-OG1 2.91Å |
| 32 | I | 96.8 | Very high | 95.1 | Very high | 25 Ų | 25 | 41 Ų | 41 | 13% | 0.128 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -64.5 | -35.6 | 178 | -67.9 | -57.4 | 0 | 0 | 0 | 111.9 | F28 A34 L35 F36 H176 C177 T180 | F28-I32 HydrophobicContact CD1-CG1 4.16Å; F28-I32 HydrophobicContact CD2-CG1 4.06Å; F28-I32 HydrophobicContact CE1-CG1 3.83Å; F28-I32 HydrophobicContact CE2-CD1 4.14Å; F28-I32 HydrophobicContact CE2-CG1 3.72Å; F28-I32 HydrophobicContact CG-CG1 4.27Å; F28-I32 HydrophobicContact CZ-CD1 4.23Å; F28-I32 HydrophobicContact CZ-CG1 3.6Å; F28-I32 WeakPolarHBondContact O-CB 3.32Å; F28-I32 VanDerWaalsContact O-CG1 3.3Å; F28-I32 WeakPolarHBondContact O-CG1 3.29Å; F28-I32 PolarHBondContact O-N 3.01Å; I32-A34 VanDerWaalsContact C-N 3.33Å; I32-A34 PolarHBondContact O-N 2.87Å; I32-L35 HydrophobicContact CD1-CD1 4.31Å; I32-L35 PolarHBondContact O-N 3.23Å; I32-F36 WeakPolarHBondContact O-CB 3.15Å; I32-F36 PolarHBondContact O-N 2.8Å; I32-H176 HydrophobicContact CD1-CB 4.45Å; I32-C177 HydrophobicContact CD1-CB 4.43Å; I32-T180 HydrophobicContact CD1-CG2 4.08Å; I32-T180 HydrophobicContact CG1-CG2 4.26Å |
| 33 | T | 97.2 | Very high | 95.5 | Very high | 56 Ų | 56 | 38.7 Ų | 38.7 | 34% | 0.344 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -63.7 | -41.9 | 175.1 | -56.1 | 0 | 0 | 0 | 0 | 110.9 | A29 G30 S31 F36 V37 F136 F140 | A29-T33 VanDerWaalsContact O-CB 3.28Å; A29-T33 WeakPolarHBondContact O-CB 3.28Å; A29-T33 PolarHBondContact O-N 3.22Å; A29-T33 PolarHBondContact O-OG1 3.38Å; G30-T33 PolarHBondContact O-N 2.87Å; S31-T33 VanDerWaalsContact C-N 3.31Å; S31-T33 PolarHBondContact O-N 3.44Å; T33-F36 PolarHBondContact O-N 3.02Å; T33-V37 VanDerWaalsContact O-CG2 3.3Å; T33-V37 WeakPolarHBondContact O-CG2 3.42Å; T33-V37 PolarHBondContact O-N 3.04Å; T33-F136 HydrophobicContact CG2-CZ 4.11Å; T33-F140 HydrophobicContact CG2-CD2 4.06Å; T33-F140 HydrophobicContact CG2-CE2 3.98Å |
| 34 | A | 96.5 | Very high | 95.7 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -61.6 | -48.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | G30 S31 I32 F36 V37 M38 F140 T143 F144 | G30-A34 PolarHBondContact O-N 3.42Å; G30-A34 VanDerWaalsContact O-N 3.09Å; S31-A34 WeakPolarHBondContact O-CB 3.43Å; S31-A34 PolarHBondContact O-N 2.79Å; S31-A34 VanDerWaalsContact O-N 3.17Å; I32-A34 VanDerWaalsContact C-N 3.33Å; I32-A34 PolarHBondContact O-N 2.87Å; A34-F36 VanDerWaalsContact C-N 3.33Å; A34-F36 PolarHBondContact O-N 3.24Å; A34-V37 PolarHBondContact O-N 3.21Å; A34-M38 WeakPolarHBondContact O-CB 3.33Å; A34-M38 VanDerWaalsContact O-CG 3.31Å; A34-M38 WeakPolarHBondContact O-CG 3.2Å; A34-M38 PolarHBondContact O-N 3.28Å; A34-F140 HydrophobicContact CB-CD2 3.69Å; A34-F140 HydrophobicContact CB-CE2 3.96Å; A34-F140 HydrophobicContact CB-CG 4.2Å; A34-F140 WeakPolarHBondContact CB-O 3.42Å; A34-T143 HydrophobicContact CB-CG2 4.11Å; A34-F144 HydrophobicContact CB-CB 3.96Å |
| 35 | L | 95.8 | Very high | 95.8 | Very high | 4 Ų | 4 | 39.8 Ų | 39.8 | 2% | 0.021 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -64.1 | -37.5 | 179.8 | -65.5 | 174.1 | 0 | 0 | 0 | 112.3 | S31 I32 M38 T39 T143 E147 H176 T180 | S31-L35 VanDerWaalsContact O-CG 3.31Å; S31-L35 WeakPolarHBondContact O-CG 3.35Å; S31-L35 PolarHBondContact O-N 3.41Å; I32-L35 HydrophobicContact CD1-CD1 4.31Å; I32-L35 PolarHBondContact O-N 3.23Å; L35-M38 PolarHBondContact O-N 3.13Å; L35-T39 VanDerWaalsContact O-CB 3.29Å; L35-T39 WeakPolarHBondContact O-CB 3.49Å; L35-T39 PolarHBondContact O-N 2.84Å; L35-T39 PolarHBondContact O-OG1 3.32Å; L35-T143 HydrophobicContact CD1-CG2 4.35Å; L35-T143 HydrophobicContact CD2-CG2 3.88Å; L35-T143 HydrophobicContact CG-CG2 3.86Å; L35-E147 HydrophobicContact CD2-CG 3.46Å; L35-E147 VanDerWaalsContact CD2-CG 3.46Å; L35-H176 HydrophobicContact CB-CB 4.07Å; L35-H176 HydrophobicContact CD1-CB 3.74Å; L35-H176 HydrophobicContact CG-CB 4.44Å; L35-T180 VanDerWaalsContact CD1-OG1 3.26Å; L35-T180 WeakPolarHBondContact CD1-OG1 3.3Å |
| 36 | F | 96.5 | Very high | 95.8 | Very high | 99 Ų | 99 | 34.6 Ų | 34.6 | 43% | 0.434 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -62.1 | -51.4 | 173.9 | 180 | -86.2 | 0 | 0 | 0 | 111.2 | I32 T33 A34 M38 T39 V40 I173 | I32-F36 WeakPolarHBondContact O-CB 3.15Å; I32-F36 PolarHBondContact O-N 2.8Å; T33-F36 PolarHBondContact O-N 3.02Å; A34-F36 VanDerWaalsContact C-N 3.33Å; A34-F36 PolarHBondContact O-N 3.24Å; F36-M38 VanDerWaalsContact C-N 3.31Å; F36-M38 PolarHBondContact O-N 3.27Å; F36-T39 PolarHBondContact O-N 3.25Å; F36-V40 HydrophobicContact CD1-CG2 4.22Å; F36-V40 HydrophobicContact CE1-CG2 3.82Å; F36-V40 HydrophobicContact CE2-CG2 4.47Å; F36-V40 HydrophobicContact CZ-CG2 3.96Å; F36-V40 WeakPolarHBondContact O-CG2 3.3Å; F36-V40 PolarHBondContact O-N 3.05Å; F36-I173 HydrophobicContact CD2-CD1 3.36Å; F36-I173 HydrophobicContact CD2-CG1 3.87Å; F36-I173 HydrophobicContact CE2-CD1 3.41Å; F36-I173 VanDerWaalsContact CE2-CD1 3.41Å; F36-I173 HydrophobicContact CE2-CG1 4.41Å |
| 37 | V | 96.6 | Very high | 95.8 | Very high | 51 Ų | 51 | 40.4 Ų | 40.4 | 31% | 0.309 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -57.9 | -46.5 | 178 | 171.2 | 0 | 0 | 0 | 0 | 110.2 | T33 A34 T39 V40 L41 F140 F144 | T33-V37 VanDerWaalsContact O-CG2 3.3Å; T33-V37 WeakPolarHBondContact O-CG2 3.42Å; T33-V37 PolarHBondContact O-N 3.04Å; A34-V37 PolarHBondContact O-N 3.21Å; V37-T39 PolarHBondContact O-N 2.93Å; V37-V40 PolarHBondContact O-N 2.88Å; V37-L41 HydrophobicContact CG1-CD1 3.88Å; V37-L41 HydrophobicContact CG1-CG 4.36Å; V37-L41 WeakPolarHBondContact O-CB 3.33Å; V37-L41 VanDerWaalsContact O-CG 3.28Å; V37-L41 WeakPolarHBondContact O-CG 3.33Å; V37-L41 PolarHBondContact O-N 3.48Å; V37-F140 HydrophobicContact CG2-CE2 4.42Å; V37-F144 HydrophobicContact CG1-CE2 4Å |
| 38 | M | 95.1 | Very high | 95.7 | Very high | 7 Ų | 7 | 43 Ų | 43 | 3% | 0.034 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -61.7 | -44.1 | 177.8 | -74.8 | -62.8 | -75.6 | 0 | 0 | 112.9 | A34 L35 F36 V40 L41 S42 F144 E147 W148 Q153 | A34-M38 WeakPolarHBondContact O-CB 3.33Å; A34-M38 VanDerWaalsContact O-CG 3.31Å; A34-M38 WeakPolarHBondContact O-CG 3.2Å; A34-M38 PolarHBondContact O-N 3.28Å; L35-M38 PolarHBondContact O-N 3.13Å; F36-M38 VanDerWaalsContact C-N 3.31Å; F36-M38 PolarHBondContact O-N 3.27Å; M38-V40 PolarHBondContact O-N 3.02Å; M38-L41 PolarHBondContact O-N 3.41Å; M38-S42 VanDerWaalsContact O-CB 3.3Å; M38-S42 WeakPolarHBondContact O-CB 3.34Å; M38-S42 PolarHBondContact O-N 3.47Å; M38-S42 PolarHBondContact O-OG 3Å; M38-F144 HydrophobicContact CG-CD2 3.64Å; M38-F144 HydrophobicContact CG-CE2 3.85Å; M38-F144 HydrophobicContact CG-CG 4.5Å; M38-F144 HydrophobicContact SD-CD2 3.73Å; M38-F144 HydrophobicContact SD-CE2 3.43Å; M38-F144 WeakPolarHBondContact SD-CE2 3.48Å; M38-F144 HydrophobicContact SD-CG 4.45Å; M38-F144 HydrophobicContact SD-CZ 3.94Å; M38-E147 HydrophobicContact CE-CB 4.15Å; M38-W148 HydrophobicContact CE-CB 4.38Å; M38-W148 HydrophobicContact CE-CD2 4.39Å; M38-W148 HydrophobicContact CE-CE3 3.79Å; M38-W148 HydrophobicContact CE-CZ3 4.45Å; M38-W148 HydrophobicContact SD-CE3 3.51Å; M38-W148 VanDerWaalsContact SD-CE3 3.51Å; M38-W148 HydrophobicContact SD-CZ3 3.78Å; M38-Q153 HydrophobicContact CE-CG 4.01Å |
| 39 | T | 95.7 | Very high | 95.4 | Very high | 2 Ų | 2 | 41.9 Ų | 41.9 | 1% | 0.012 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -62.1 | -45.2 | 178.3 | -60 | 0 | 0 | 0 | 0 | 110.7 | L35 F36 V37 S42 A43 T156 I169 I173 H176 | L35-T39 VanDerWaalsContact O-CB 3.29Å; L35-T39 WeakPolarHBondContact O-CB 3.49Å; L35-T39 PolarHBondContact O-N 2.84Å; L35-T39 PolarHBondContact O-OG1 3.32Å; F36-T39 PolarHBondContact O-N 3.25Å; V37-T39 PolarHBondContact O-N 2.93Å; T39-S42 PolarHBondContact O-N 3.14Å; T39-A43 WeakPolarHBondContact O-CB 3.4Å; T39-A43 PolarHBondContact O-N 3.35Å; T39-T156 HydrophobicContact CG2-CG2 4.31Å; T39-I169 HydrophobicContact CG2-CG1 4.46Å; T39-I173 HydrophobicContact CG2-CG1 4.45Å; T39-H176 PolarHBondContact OG1-CD2 3.39Å; T39-H176 PolarHBondContact OG1-NE2 2.99Å |
| 40 | V | 96.2 | Very high | 94.8 | Very high | 56 Ų | 56 | 44.5 Ų | 44.5 | 34% | 0.339 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -65.2 | -43.9 | 178.6 | 173 | 0 | 0 | 0 | 0 | 111.3 | F36 V37 M38 S42 A43 F44 | F36-V40 HydrophobicContact CD1-CG2 4.22Å; F36-V40 HydrophobicContact CE1-CG2 3.82Å; F36-V40 HydrophobicContact CE2-CG2 4.47Å; F36-V40 HydrophobicContact CZ-CG2 3.96Å; F36-V40 WeakPolarHBondContact O-CG2 3.3Å; F36-V40 PolarHBondContact O-N 3.05Å; V37-V40 PolarHBondContact O-N 2.88Å; M38-V40 PolarHBondContact O-N 3.02Å; V40-S42 PolarHBondContact O-N 3.04Å; V40-A43 PolarHBondContact O-N 3.4Å; V40-F44 WeakPolarHBondContact O-CB 3.16Å; V40-F44 PolarHBondContact O-N 3.19Å |
| 41 | L | 95.9 | Very high | 94.4 | Very high | 64 Ų | 64 | 50.8 Ų | 50.8 | 34% | 0.335 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -61.3 | -44 | 176.1 | -73.2 | 174 | 0 | 0 | 0 | 111.9 | V37 M38 F44 F45 | V37-L41 HydrophobicContact CG1-CD1 3.88Å; V37-L41 HydrophobicContact CG1-CG 4.36Å; V37-L41 WeakPolarHBondContact O-CB 3.33Å; V37-L41 VanDerWaalsContact O-CG 3.28Å; V37-L41 WeakPolarHBondContact O-CG 3.33Å; V37-L41 PolarHBondContact O-N 3.48Å; M38-L41 PolarHBondContact O-N 3.41Å; L41-F44 WeakPolarHBondContact O-CB 3.46Å; L41-F44 PolarHBondContact O-N 3.31Å; L41-F45 VanDerWaalsContact O-CD2 3.24Å; L41-F45 WeakPolarHBondContact O-CD2 3.48Å; L41-F45 PolarHBondContact O-N 2.97Å |
| 42 | S | 95.4 | Very high | 94.1 | Very high | 1 Ų | 1 | 54.7 Ų | 54.7 | 1% | 0.007 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -63.8 | -44.4 | 177.6 | -55.8 | 0 | 0 | 0 | 0 | 111.6 | M38 T39 V40 F44 F45 G46 Q153 I157 | M38-S42 VanDerWaalsContact O-CB 3.3Å; M38-S42 WeakPolarHBondContact O-CB 3.34Å; M38-S42 PolarHBondContact O-N 3.47Å; M38-S42 PolarHBondContact O-OG 3Å; T39-S42 PolarHBondContact O-N 3.14Å; V40-S42 PolarHBondContact O-N 3.04Å; S42-F44 VanDerWaalsContact C-N 3.3Å; S42-F44 PolarHBondContact O-N 2.82Å; S42-F45 PolarHBondContact O-N 3.47Å; S42-G46 PolarHBondContact O-N 2.89Å; S42-Q153 WeakPolarHBondContact OG-CG 3.42Å; S42-I157 WeakPolarHBondContact O-CG1 3.35Å |
| 43 | A | 95.7 | Very high | 93.6 | Very high | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -65 | -36.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | T39 V40 G46 Y47 A160 V165 I169 | T39-A43 WeakPolarHBondContact O-CB 3.4Å; T39-A43 PolarHBondContact O-N 3.35Å; V40-A43 PolarHBondContact O-N 3.4Å; A43-G46 PolarHBondContact O-N 3.49Å; A43-Y47 WeakPolarHBondContact O-CB 3.48Å; A43-Y47 PolarHBondContact O-N 2.93Å; A43-A160 HydrophobicContact CB-CB 4.21Å; A43-V165 HydrophobicContact CB-CG1 4.04Å; A43-I169 HydrophobicContact CB-CD1 3.69Å; A43-I169 HydrophobicContact CB-CG1 3.44Å; A43-I169 VanDerWaalsContact CB-CG1 3.44Å |
| 44 | F | 95.2 | Very high | 93.1 | Very high | 130 Ų | 130 | 59.3 Ų | 59.3 | 57% | 0.57 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -64 | -43.9 | 172.5 | 178 | -98.4 | 0 | 0 | 0 | 112.2 | V40 L41 S42 G46 Y47 A48 | V40-F44 WeakPolarHBondContact O-CB 3.16Å; V40-F44 PolarHBondContact O-N 3.19Å; L41-F44 WeakPolarHBondContact O-CB 3.46Å; L41-F44 PolarHBondContact O-N 3.31Å; S42-F44 VanDerWaalsContact C-N 3.3Å; S42-F44 PolarHBondContact O-N 2.82Å; F44-G46 VanDerWaalsContact C-N 3.33Å; F44-G46 PolarHBondContact O-N 3.47Å; F44-Y47 WeakPolarHBondContact O-CB 3.47Å; F44-Y47 PolarHBondContact O-N 2.89Å; F44-A48 PolarHBondContact O-N 3.39Å |
| 45 | F | 94.6 | Very high | 92.7 | Very high | 105 Ų | 105 | 61.1 Ų | 61.1 | 46% | 0.461 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -62.5 | -40.5 | 172.5 | -72.2 | -51.1 | 0 | 0 | 0 | 112 | L41 S42 Y47 A48 V49 I157 | L41-F45 VanDerWaalsContact O-CD2 3.24Å; L41-F45 WeakPolarHBondContact O-CD2 3.48Å; L41-F45 PolarHBondContact O-N 2.97Å; S42-F45 PolarHBondContact O-N 3.47Å; F45-Y47 VanDerWaalsContact C-N 3.33Å; F45-Y47 PolarHBondContact O-N 2.93Å; F45-A48 WeakPolarHBondContact O-CB 3.43Å; F45-A48 PolarHBondContact O-N 3.44Å; F45-V49 WeakPolarHBondContact O-CG2 3.29Å; F45-V49 PolarHBondContact O-N 3.26Å; F45-V49 VanDerWaalsContact O-N 3.07Å; F45-I157 HydrophobicContact CB-CD1 4.32Å; F45-I157 HydrophobicContact CB-CG1 4.13Å; F45-I157 HydrophobicContact CB-CG2 4.32Å |
| 46 | G | 94.2 | Very high | 92.4 | Very high | 0 Ų | 0 | 68.3 Ų | 68.3 | 0% | 0 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -61.7 | -40.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | S42 A43 F44 A48 V49 I157 A161 | S42-G46 PolarHBondContact O-N 2.89Å; A43-G46 PolarHBondContact O-N 3.49Å; F44-G46 VanDerWaalsContact C-N 3.33Å; F44-G46 PolarHBondContact O-N 3.47Å; G46-A48 VanDerWaalsContact C-N 3.35Å; G46-A48 PolarHBondContact O-N 2.79Å; G46-V49 WeakPolarHBondContact O-CB 3.3Å; G46-V49 PolarHBondContact O-N 2.76Å; G46-I157 WeakPolarHBondContact CA-O 3.37Å; G46-A161 VanDerWaalsContact O-CA 3.3Å; G46-A161 WeakPolarHBondContact O-CA 3.39Å; G46-A161 WeakPolarHBondContact O-CB 3.43Å |
| 47 | Y | 93.2 | Very high | 92.2 | Very high | 140 Ų | 140 | 64 Ų | 64 | 55% | 0.549 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -61.4 | -41.5 | 173 | -179.8 | -103.5 | 0 | 0 | 0 | 112 | A43 F44 F45 V49 Q50 V165 | A43-Y47 WeakPolarHBondContact O-CB 3.48Å; A43-Y47 PolarHBondContact O-N 2.93Å; F44-Y47 WeakPolarHBondContact O-CB 3.47Å; F44-Y47 PolarHBondContact O-N 2.89Å; F45-Y47 VanDerWaalsContact C-N 3.33Å; F45-Y47 PolarHBondContact O-N 2.93Å; Y47-V49 VanDerWaalsContact C-N 3.27Å; Y47-V49 PolarHBondContact O-N 3.48Å; Y47-Q50 VanDerWaalsContact O-CB 3.29Å; Y47-Q50 WeakPolarHBondContact O-CB 3.47Å; Y47-Q50 WeakPolarHBondContact O-CG 3.45Å; Y47-Q50 PolarHBondContact O-N 2.92Å; Y47-Q50 VanDerWaalsContact O-N 3.17Å; Y47-V165 HydrophobicContact CD2-CG2 4.05Å |
| 48 | A | 92.4 | Very high | 91.9 | Very high | 56 Ų | 56 | 61.6 Ų | 61.6 | 46% | 0.463 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -64.4 | -30.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | F44 F45 G46 Q50 | F44-A48 PolarHBondContact O-N 3.39Å; F45-A48 WeakPolarHBondContact O-CB 3.43Å; F45-A48 PolarHBondContact O-N 3.44Å; G46-A48 VanDerWaalsContact C-N 3.35Å; G46-A48 PolarHBondContact O-N 2.79Å; A48-Q50 PolarHBondContact O-N 2.82Å |
| 49 | V | 90.1 | Very high | 91.7 | Very high | 44 Ų | 44 | 66.4 Ų | 66.4 | 27% | 0.267 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -69.7 | -15.4 | 176.7 | 171.2 | 0 | 0 | 0 | 0 | 112.6 | F45 G46 Y47 V51 I52 V57 A161 | F45-V49 WeakPolarHBondContact O-CG2 3.29Å; F45-V49 PolarHBondContact O-N 3.26Å; F45-V49 VanDerWaalsContact O-N 3.07Å; G46-V49 WeakPolarHBondContact O-CB 3.3Å; G46-V49 PolarHBondContact O-N 2.76Å; Y47-V49 VanDerWaalsContact C-N 3.27Å; Y47-V49 PolarHBondContact O-N 3.48Å; V49-V51 PolarHBondContact O-N 3.37Å; V49-I52 HydrophobicContact CG1-CD1 4.17Å; V49-I52 WeakPolarHBondContact O-CB 3.4Å; V49-I52 PolarHBondContact O-N 3.24Å; V49-V57 HydrophobicContact CG1-CG1 4.45Å; V49-V57 HydrophobicContact CG1-CG2 4.1Å; V49-A161 HydrophobicContact CB-CB 3.96Å; V49-A161 HydrophobicContact CG1-CB 3.73Å |
| 50 | Q | 84.7 | Confident | 91.6 | Very high | 93 Ų | 93 | 72 Ų | 72 | 44% | 0.435 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -11.1 | 178.5 | -62.5 | -179.3 | 6.8 | 0 | 0 | 114 | Y47 A48 A160 | Y47-Q50 VanDerWaalsContact O-CB 3.29Å; Y47-Q50 WeakPolarHBondContact O-CB 3.47Å; Y47-Q50 WeakPolarHBondContact O-CG 3.45Å; Y47-Q50 PolarHBondContact O-N 2.92Å; Y47-Q50 VanDerWaalsContact O-N 3.17Å; A48-Q50 PolarHBondContact O-N 2.82Å; Q50-A160 PolarHBondContact NE2-O 3.41Å; Q50-A160 VanDerWaalsContact NE2-O 3.08Å |
| 51 | V | 89.1 | Confident | 91.4 | Very high | 132 Ų | 132 | 69.3 Ų | 69.3 | 80% | 0.8 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.2 | -24.6 | 170.4 | -178.9 | 0 | 0 | 0 | 0 | 111.8 | V49 | V49-V51 PolarHBondContact O-N 3.37Š|
| 52 | I | 88.6 | Confident | 91.3 | Very high | 84 Ų | 84 | 66.5 Ų | 66.5 | 43% | 0.431 | 32% | 0.319 | S | S | . | . | S | Bend | trans | -76.4 | 136.4 | 177.9 | -58 | -175.8 | 0 | 0 | 0 | 109.1 | V49 R54 Y56 V57 | V49-I52 HydrophobicContact CG1-CD1 4.17Å; V49-I52 WeakPolarHBondContact O-CB 3.4Å; V49-I52 PolarHBondContact O-N 3.24Å; I52-R54 PolarHBondContact O-N 2.99Å; I52-Y56 HydrophobicContact CG2-CD2 4.35Å; I52-V57 HydrophobicContact CB-CG2 4.02Å; I52-V57 HydrophobicContact CG2-CG2 4.01Å |
| 53 | P | 87.7 | Confident | 91.3 | Very high | 75 Ų | 75 | 71 Ų | 71 | 49% | 0.487 | 34% | 0.343 | S | S | . | . | trans | -52.8 | 131.2 | 176.4 | -25.5 | 32.6 | 0 | 0 | 0 | 111.9 | I55 Y56 | P53-I55 HydrophobicContact CB-CG2 4.29Å; P53-I55 PolarHBondContact O-N 3.06Å; P53-Y56 HydrophobicContact CB-CD2 3.79Å; P53-Y56 HydrophobicContact CB-CE2 4.04Å; P53-Y56 HydrophobicContact CG-CD2 3.99Å; P53-Y56 HydrophobicContact CG-CE2 4.02Å; P53-Y56 PolarHBondContact O-N 3.29Å | ||
| 54 | R | 86.8 | Confident | 91.2 | Very high | 102 Ų | 102 | 72.2 Ų | 72.2 | 39% | 0.385 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -52.5 | -34.8 | -170.8 | -174 | 169.2 | 177.9 | -71.6 | -10.6 | 113.4 | I52 Y56 V57 V58 D218 E220 | I52-R54 PolarHBondContact O-N 2.99Å; R54-Y56 VanDerWaalsContact C-N 3.34Å; R54-Y56 PolarHBondContact O-N 2.92Å; R54-V57 PolarHBondContact O-N 3.45Å; R54-V58 HydrophobicContact CG-CG2 4.23Å; R54-V58 VanDerWaalsContact O-CG2 3.26Å; R54-V58 WeakPolarHBondContact O-CG2 3.37Å; R54-V58 PolarHBondContact O-N 2.86Å; R54-D218 IonicContact CZ-OD1 3.59Å; R54-D218 IonicContact CZ-OD2 3.17Å; R54-D218 IonicContact NH1-OD1 2.69Å; R54-D218 PolarHBondContact NH1-OD1 3.47Å; R54-D218 IonicContact NH1-OD2 3.04Å; R54-D218 PolarHBondContact NH1-OD2 3.17Å; R54-D218 IonicContact NH2-OD1 3.65Å; R54-D218 IonicContact NH2-OD2 2.7Å; R54-D218 PolarHBondContact NH2-OD2 3.36Å; R54-E220 VanDerWaalsContact CB-OE2 3.32Å; R54-E220 WeakPolarHBondContact CB-OE2 3.48Å; R54-E220 WeakPolarHBondContact CD-OE2 3.38Å; R54-E220 VanDerWaalsContact CG-OE2 3.25Å; R54-E220 WeakPolarHBondContact CG-OE2 3.48Å; R54-E220 IonicContact CZ-OE2 3.81Å; R54-E220 IonicContact NE-OE2 3.93Å; R54-E220 IonicContact NH1-OE2 2.86Å; R54-E220 PolarHBondContact NH1-OE2 3.19Å |
| 55 | I | 86.3 | Confident | 91.2 | Very high | 39 Ų | 39 | 66.2 Ų | 66.2 | 20% | 0.2 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -55.1 | -44.5 | 176.5 | -168.2 | 59 | 0 | 0 | 0 | 113.2 | P53 V58 Y59 V221 L224 | P53-I55 HydrophobicContact CB-CG2 4.29Å; P53-I55 PolarHBondContact O-N 3.06Å; I55-V58 PolarHBondContact O-N 3.46Å; I55-Y59 HydrophobicContact CD1-CD2 3.93Å; I55-Y59 HydrophobicContact CD1-CE2 3.4Å; I55-Y59 HydrophobicContact CG1-CD2 3.97Å; I55-Y59 HydrophobicContact CG1-CE2 3.72Å; I55-Y59 WeakPolarHBondContact O-CD2 3.29Å; I55-Y59 PolarHBondContact O-N 3.39Å; I55-Y59 VanDerWaalsContact O-N 3.13Å; I55-V221 HydrophobicContact CD1-CG2 3.73Å; I55-L224 HydrophobicContact CD1-CD1 3.95Å; I55-L224 HydrophobicContact CG1-CD1 4.37Å |
| 56 | Y | 90.6 | Very high | 91.2 | Very high | 154 Ų | 154 | 66.1 Ų | 66.1 | 60% | 0.604 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -70.5 | -38.8 | -179.9 | -61.3 | -64.7 | 0 | 0 | 0 | 111.1 | I52 P53 R54 V58 Y59 F60 | I52-Y56 HydrophobicContact CG2-CD2 4.35Å; P53-Y56 HydrophobicContact CB-CD2 3.79Å; P53-Y56 HydrophobicContact CB-CE2 4.04Å; P53-Y56 HydrophobicContact CG-CD2 3.99Å; P53-Y56 HydrophobicContact CG-CE2 4.02Å; P53-Y56 PolarHBondContact O-N 3.29Å; R54-Y56 VanDerWaalsContact C-N 3.34Å; R54-Y56 PolarHBondContact O-N 2.92Å; Y56-V58 VanDerWaalsContact C-N 3.32Å; Y56-V58 PolarHBondContact O-N 3.47Å; Y56-Y59 PolarHBondContact O-N 2.89Å; Y56-F60 WeakPolarHBondContact O-CB 3.34Å; Y56-F60 PolarHBondContact O-N 3.35Å |
| 57 | V | 91.7 | Very high | 91.3 | Very high | 10 Ų | 10 | 70.5 Ų | 70.5 | 6% | 0.061 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -63 | -41.7 | 177.7 | -173.6 | 0 | 0 | 0 | 0 | 110.4 | V49 I52 R54 S61 A161 R162 | V49-V57 HydrophobicContact CG1-CG1 4.45Å; V49-V57 HydrophobicContact CG1-CG2 4.1Å; I52-V57 HydrophobicContact CB-CG2 4.02Å; I52-V57 HydrophobicContact CG2-CG2 4.01Å; R54-V57 PolarHBondContact O-N 3.45Å; V57-S61 WeakPolarHBondContact O-CB 3.44Å; V57-S61 PolarHBondContact O-N 2.95Å; V57-S61 PolarHBondContact O-OG 3.16Å; V57-S61 VanDerWaalsContact O-OG 3.08Å; V57-A161 HydrophobicContact CG1-CB 3.72Å; V57-R162 HydrophobicContact CB-CG 4.43Å; V57-R162 HydrophobicContact CG1-CG 3.49Å; V57-R162 VanDerWaalsContact CG1-CG 3.49Å |
| 58 | V | 90.1 | Very high | 91.4 | Very high | 0 Ų | 0 | 65.1 Ų | 65.1 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -64.9 | -51 | 178.5 | 175.8 | 0 | 0 | 0 | 0 | 111.1 | R54 I55 Y56 F60 S61 A62 S214 D218 V221 | R54-V58 HydrophobicContact CG-CG2 4.23Å; R54-V58 VanDerWaalsContact O-CG2 3.26Å; R54-V58 WeakPolarHBondContact O-CG2 3.37Å; R54-V58 PolarHBondContact O-N 2.86Å; I55-V58 PolarHBondContact O-N 3.46Å; Y56-V58 VanDerWaalsContact C-N 3.32Å; Y56-V58 PolarHBondContact O-N 3.47Å; V58-F60 PolarHBondContact O-N 3.29Å; V58-S61 WeakPolarHBondContact CA-OG 3.48Å; V58-S61 PolarHBondContact O-N 2.92Å; V58-S61 PolarHBondContact O-OG 3.44Å; V58-A62 WeakPolarHBondContact O-CB 3.28Å; V58-A62 PolarHBondContact O-N 3.42Å; V58-S214 WeakPolarHBondContact CG1-O 3.19Å; V58-D218 HydrophobicContact CG1-CB 4.05Å; V58-D218 WeakPolarHBondContact CG2-OD2 3.36Å; V58-V221 HydrophobicContact CB-CG2 4.38Å; V58-V221 HydrophobicContact CG1-CG2 3.75Å |
| 59 | Y | 91.6 | Very high | 91.5 | Very high | 107 Ų | 107 | 62.5 Ų | 62.5 | 42% | 0.42 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -62.1 | -43.7 | 177.6 | -77.7 | -63.1 | 0 | 0 | 0 | 112.7 | I55 Y56 S61 A62 L63 L215 | I55-Y59 HydrophobicContact CD1-CD2 3.93Å; I55-Y59 HydrophobicContact CD1-CE2 3.4Å; I55-Y59 HydrophobicContact CG1-CD2 3.97Å; I55-Y59 HydrophobicContact CG1-CE2 3.72Å; I55-Y59 WeakPolarHBondContact O-CD2 3.29Å; I55-Y59 PolarHBondContact O-N 3.39Å; I55-Y59 VanDerWaalsContact O-N 3.13Å; Y56-Y59 PolarHBondContact O-N 2.89Å; Y59-S61 VanDerWaalsContact C-N 3.35Å; Y59-S61 PolarHBondContact O-N 2.83Å; Y59-A62 PolarHBondContact O-N 2.71Å; Y59-L63 WeakPolarHBondContact O-CB 3.32Å; Y59-L63 PolarHBondContact O-N 3.36Å; Y59-L215 HydrophobicContact CD1-CD2 3.93Å; Y59-L215 HydrophobicContact CE1-CD2 4.04Å |
| 60 | F | 93 | Very high | 91.8 | Very high | 119 Ų | 119 | 63.6 Ų | 63.6 | 52% | 0.522 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -62.3 | -42.8 | 177.6 | -178.2 | -106.9 | 0 | 0 | 0 | 111.8 | Y56 V58 L63 L64 | Y56-F60 WeakPolarHBondContact O-CB 3.34Å; Y56-F60 PolarHBondContact O-N 3.35Å; V58-F60 PolarHBondContact O-N 3.29Å; F60-L63 PolarHBondContact O-N 3.49Å; F60-L64 HydrophobicContact CD1-CD1 3.77Å; F60-L64 HydrophobicContact CD1-CG 4.38Å; F60-L64 HydrophobicContact CE1-CD1 3.21Å; F60-L64 HydrophobicContact CE1-CG 4.02Å; F60-L64 HydrophobicContact CE2-CD1 4.39Å; F60-L64 HydrophobicContact CE2-CG 4.38Å; F60-L64 HydrophobicContact CZ-CD1 3.57Å; F60-L64 HydrophobicContact CZ-CD2 4.34Å; F60-L64 HydrophobicContact CZ-CG 4.01Å; F60-L64 WeakPolarHBondContact O-CG 3.42Å; F60-L64 PolarHBondContact O-N 2.88Å |
| 61 | S | 92.5 | Very high | 92.3 | Very high | 0 Ų | 0 | 65.8 Ų | 65.8 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -64.3 | -42.6 | 176.7 | 69.8 | 0 | 0 | 0 | 0 | 113.1 | V57 V58 Y59 L63 L64 F65 R162 | V57-S61 WeakPolarHBondContact O-CB 3.44Å; V57-S61 PolarHBondContact O-N 2.95Å; V57-S61 PolarHBondContact O-OG 3.16Å; V57-S61 VanDerWaalsContact O-OG 3.08Å; V58-S61 WeakPolarHBondContact CA-OG 3.48Å; V58-S61 PolarHBondContact O-N 2.92Å; V58-S61 PolarHBondContact O-OG 3.44Å; Y59-S61 VanDerWaalsContact C-N 3.35Å; Y59-S61 PolarHBondContact O-N 2.83Å; S61-L63 VanDerWaalsContact C-N 3.33Å; S61-L64 PolarHBondContact O-N 3.42Å; S61-F65 WeakPolarHBondContact O-CB 3.33Å; S61-F65 WeakPolarHBondContact O-CD2 3.32Å; S61-F65 VanDerWaalsContact O-CG 3.31Å; S61-F65 WeakPolarHBondContact O-CG 3.3Å; S61-F65 PolarHBondContact O-N 2.86Å; S61-R162 WeakPolarHBondContact OG-CD 3.5Å; S61-R162 PolarHBondContact OG-NE 3.32Å; S61-R162 PolarHBondContact OG-NH1 2.86Å |
| 62 | A | 93.1 | Very high | 92.5 | Very high | 6 Ų | 6 | 59.7 Ų | 59.7 | 5% | 0.05 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -63.5 | -42.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | V58 Y59 F66 A211 L215 | V58-A62 WeakPolarHBondContact O-CB 3.28Å; V58-A62 PolarHBondContact O-N 3.42Å; Y59-A62 PolarHBondContact O-N 2.71Å; A62-F66 VanDerWaalsContact O-CB 3.25Å; A62-F66 WeakPolarHBondContact O-CB 3.42Å; A62-F66 PolarHBondContact O-N 3.17Å; A62-A211 WeakPolarHBondContact O-CB 3.39Å; A62-L215 HydrophobicContact CB-CD1 4.2Å; A62-L215 HydrophobicContact CB-CD2 3.66Å; A62-L215 HydrophobicContact CB-CG 3.74Å |
| 63 | L | 95.4 | Very high | 92.9 | Very high | 96 Ų | 96 | 58 Ų | 58 | 50% | 0.503 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -60.3 | -48.9 | 173.9 | -179.6 | 62.9 | 0 | 0 | 0 | 111.5 | Y59 F60 S61 F66 L67 | Y59-L63 WeakPolarHBondContact O-CB 3.32Å; Y59-L63 PolarHBondContact O-N 3.36Å; F60-L63 PolarHBondContact O-N 3.49Å; S61-L63 VanDerWaalsContact C-N 3.33Å; L63-F66 PolarHBondContact O-N 3.5Å; L63-L67 HydrophobicContact CD1-CD1 4.15Å; L63-L67 HydrophobicContact CD1-CG 4.17Å; L63-L67 HydrophobicContact CG-CD1 4.05Å; L63-L67 HydrophobicContact CG-CG 4.44Å; L63-L67 WeakPolarHBondContact O-CB 3.49Å; L63-L67 VanDerWaalsContact O-CG 3.26Å; L63-L67 WeakPolarHBondContact O-CG 3.48Å; L63-L67 PolarHBondContact O-N 2.9Å |
| 64 | L | 94.4 | Very high | 93.3 | Very high | 25 Ų | 25 | 60.1 Ų | 60.1 | 13% | 0.131 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -61.4 | -46.9 | 179.1 | -79.9 | 179.8 | 0 | 0 | 0 | 112.6 | F60 S61 F66 L67 F68 I154 V158 | F60-L64 HydrophobicContact CD1-CD1 3.77Å; F60-L64 HydrophobicContact CD1-CG 4.38Å; F60-L64 HydrophobicContact CE1-CD1 3.21Å; F60-L64 HydrophobicContact CE1-CG 4.02Å; F60-L64 HydrophobicContact CE2-CD1 4.39Å; F60-L64 HydrophobicContact CE2-CG 4.38Å; F60-L64 HydrophobicContact CZ-CD1 3.57Å; F60-L64 HydrophobicContact CZ-CD2 4.34Å; F60-L64 HydrophobicContact CZ-CG 4.01Å; F60-L64 WeakPolarHBondContact O-CG 3.42Å; F60-L64 PolarHBondContact O-N 2.88Å; S61-L64 PolarHBondContact O-N 3.42Å; L64-F66 VanDerWaalsContact C-N 3.3Å; L64-F66 PolarHBondContact O-N 3.41Å; L64-L67 PolarHBondContact O-N 3.38Å; L64-F68 WeakPolarHBondContact O-CB 3.43Å; L64-F68 WeakPolarHBondContact O-CG 3.33Å; L64-F68 PolarHBondContact O-N 2.8Å; L64-I154 HydrophobicContact CD1-CG2 3.83Å; L64-V158 HydrophobicContact CD1-CG2 3.57Å |
| 65 | F | 94.5 | Very high | 93.6 | Very high | 3 Ų | 3 | 57.8 Ų | 57.8 | 1% | 0.013 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -63.8 | -38.1 | 177.5 | -67.7 | -23.9 | 0 | 0 | 0 | 111.9 | M1 S61 G69 T155 V158 L159 F207 F210 A211 | M1-F65 HydrophobicContact CE-CD1 3.98Å; M1-F65 HydrophobicContact CE-CD2 4.24Å; M1-F65 HydrophobicContact CE-CE1 4.05Å; M1-F65 HydrophobicContact CE-CE2 4.29Å; M1-F65 HydrophobicContact CE-CG 4.09Å; M1-F65 HydrophobicContact CE-CZ 4.19Å; M1-F65 HydrophobicContact SD-CE1 4.12Å; M1-F65 HydrophobicContact SD-CE2 4.44Å; M1-F65 HydrophobicContact SD-CZ 4.01Å; S61-F65 WeakPolarHBondContact O-CB 3.33Å; S61-F65 WeakPolarHBondContact O-CD2 3.32Å; S61-F65 VanDerWaalsContact O-CG 3.31Å; S61-F65 WeakPolarHBondContact O-CG 3.3Å; S61-F65 PolarHBondContact O-N 2.86Å; F65-G69 PolarHBondContact O-N 3.37Å; F65-T155 HydrophobicContact CE1-CG2 3.76Å; F65-T155 HydrophobicContact CZ-CG2 4.32Å; F65-V158 HydrophobicContact CE1-CG1 4.16Å; F65-V158 HydrophobicContact CE2-CG1 4.26Å; F65-V158 HydrophobicContact CZ-CB 4.43Å; F65-V158 HydrophobicContact CZ-CG1 3.73Å; F65-L159 HydrophobicContact CZ-CG 4.24Å; F65-F207 HydrophobicContact CB-CD1 4.18Å; F65-F207 AromaticContact CD1-CD1 3.74Å; F65-F207 HydrophobicContact CD1-CD1 3.74Å; F65-F207 AromaticContact CD1-CE1 3.75Å; F65-F207 HydrophobicContact CD1-CE1 3.75Å; F65-F207 HydrophobicContact CE1-CE1 4.19Å; F65-F207 HydrophobicContact CG-CD1 4.25Å; F65-F207 WeakPolarHBondContact O-CB 3.47Å; F65-F210 HydrophobicContact CD2-CB 4.14Å; F65-A211 HydrophobicContact CB-CB 3.81Å |
| 66 | F | 95.8 | Very high | 94 | Very high | 103 Ų | 103 | 56 Ų | 56 | 45% | 0.452 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -63.9 | -47.8 | 174.5 | -177.6 | -101.7 | 0 | 0 | 0 | 111.6 | A62 L63 L64 F68 G69 V70 A211 | A62-F66 VanDerWaalsContact O-CB 3.25Å; A62-F66 WeakPolarHBondContact O-CB 3.42Å; A62-F66 PolarHBondContact O-N 3.17Å; L63-F66 PolarHBondContact O-N 3.5Å; L64-F66 VanDerWaalsContact C-N 3.3Å; L64-F66 PolarHBondContact O-N 3.41Å; F66-F68 PolarHBondContact O-N 2.9Å; F66-G69 PolarHBondContact O-N 2.89Å; F66-V70 HydrophobicContact CD1-CG2 4.29Å; F66-V70 HydrophobicContact CD2-CG2 4.37Å; F66-V70 HydrophobicContact CE1-CG2 3.89Å; F66-V70 HydrophobicContact CE2-CG2 3.97Å; F66-V70 HydrophobicContact CZ-CG2 3.71Å; F66-V70 WeakPolarHBondContact O-CG2 3.41Å; F66-V70 PolarHBondContact O-N 2.95Å; F66-A211 HydrophobicContact CB-CB 3.9Å |
| 67 | L | 96.2 | Very high | 94.1 | Very high | 93 Ų | 93 | 57.6 Ų | 57.6 | 49% | 0.487 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -62.6 | -44.1 | 179.3 | -69.6 | 176.9 | 0 | 0 | 0 | 112.2 | L63 L64 K71 | L63-L67 HydrophobicContact CD1-CD1 4.15Å; L63-L67 HydrophobicContact CD1-CG 4.17Å; L63-L67 HydrophobicContact CG-CD1 4.05Å; L63-L67 HydrophobicContact CG-CG 4.44Å; L63-L67 WeakPolarHBondContact O-CB 3.49Å; L63-L67 VanDerWaalsContact O-CG 3.26Å; L63-L67 WeakPolarHBondContact O-CG 3.48Å; L63-L67 PolarHBondContact O-N 2.9Å; L64-L67 PolarHBondContact O-N 3.38Å; L67-K71 VanDerWaalsContact O-CB 3.22Å; L67-K71 WeakPolarHBondContact O-CB 3.5Å; L67-K71 PolarHBondContact O-N 3.45Å |
| 68 | F | 94.3 | Very high | 94.2 | Very high | 27 Ų | 27 | 63 Ų | 63 | 12% | 0.118 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -64.8 | -41.1 | 174 | -70.7 | -22.8 | 0 | 0 | 0 | 112 | L64 F66 K71 M72 R151 I154 F207 | L64-F68 WeakPolarHBondContact O-CB 3.43Å; L64-F68 WeakPolarHBondContact O-CG 3.33Å; L64-F68 PolarHBondContact O-N 2.8Å; F66-F68 PolarHBondContact O-N 2.9Å; F68-K71 PolarHBondContact O-N 2.79Å; F68-M72 WeakPolarHBondContact O-CB 3.37Å; F68-M72 VanDerWaalsContact O-CG 3.27Å; F68-M72 WeakPolarHBondContact O-CG 3.18Å; F68-M72 PolarHBondContact O-N 3.13Å; F68-R151 HydrophobicContact CD1-CG 4.22Å; F68-R151 HydrophobicContact CE1-CG 4.09Å; F68-R151 HydrophobicContact CE2-CB 4.35Å; F68-R151 HydrophobicContact CZ-CB 4.45Å; F68-R151 HydrophobicContact CZ-CG 4.28Å; F68-I154 HydrophobicContact CE2-CB 4.07Å; F68-I154 HydrophobicContact CE2-CG2 3.84Å; F68-I154 HydrophobicContact CZ-CB 4.12Å; F68-I154 HydrophobicContact CZ-CD1 3.92Å; F68-I154 HydrophobicContact CZ-CG2 3.95Å; F68-F207 HydrophobicContact CB-CD1 3.94Å; F68-F207 HydrophobicContact CB-CE1 4.12Å; F68-F207 HydrophobicContact CB-CG 4.28Å; F68-F207 HydrophobicContact CD2-CD1 4.5Å; F68-F207 AromaticContact CD2-CE1 3.99Å; F68-F207 HydrophobicContact CD2-CE1 3.99Å |
| 69 | G | 95.4 | Very high | 94.2 | Very high | 0 Ų | 0 | 64.5 Ų | 64.5 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -59.9 | -51 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | F65 F66 M72 L73 G204 F207 | F65-G69 PolarHBondContact O-N 3.37Å; F66-G69 PolarHBondContact O-N 2.89Å; G69-M72 PolarHBondContact O-N 3.47Å; G69-L73 WeakPolarHBondContact O-CG 3.49Å; G69-L73 PolarHBondContact O-N 2.98Å; G69-G204 WeakPolarHBondContact CA-O 3.36Å; G69-G204 WeakPolarHBondContact O-CA 3.43Å; G69-F207 VanDerWaalsContact CA-CB 3.45Å |
| 70 | V | 96.4 | Very high | 94.2 | Very high | 67 Ų | 67 | 62.5 Ų | 62.5 | 41% | 0.406 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -63.6 | -43.7 | 177.2 | 173.8 | 0 | 0 | 0 | 0 | 111.3 | F66 M72 L73 H74 | F66-V70 HydrophobicContact CD1-CG2 4.29Å; F66-V70 HydrophobicContact CD2-CG2 4.37Å; F66-V70 HydrophobicContact CE1-CG2 3.89Å; F66-V70 HydrophobicContact CE2-CG2 3.97Å; F66-V70 HydrophobicContact CZ-CG2 3.71Å; F66-V70 WeakPolarHBondContact O-CG2 3.41Å; F66-V70 PolarHBondContact O-N 2.95Å; V70-M72 VanDerWaalsContact C-N 3.32Å; V70-M72 PolarHBondContact O-N 3.35Å; V70-L73 PolarHBondContact O-N 2.92Å; V70-H74 WeakPolarHBondContact O-CB 3.42Å; V70-H74 PolarHBondContact O-N 2.82Å |
| 71 | K | 95.2 | Very high | 93.9 | Very high | 140 Ų | 140 | 63.2 Ų | 63.2 | 61% | 0.609 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -59.7 | -42.2 | 176.2 | -179.5 | 177.7 | 176.4 | 175.7 | 0 | 111.7 | L67 F68 S75 | L67-K71 VanDerWaalsContact O-CB 3.22Å; L67-K71 WeakPolarHBondContact O-CB 3.5Å; L67-K71 PolarHBondContact O-N 3.45Å; F68-K71 PolarHBondContact O-N 2.79Å; K71-S75 WeakPolarHBondContact O-CB 3.37Å; K71-S75 PolarHBondContact O-N 3.19Å |
| 72 | M | 94 | Very high | 93.7 | Very high | 3 Ų | 3 | 69.6 Ų | 69.6 | 2% | 0.015 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -66.9 | -43.6 | 176.8 | -76.3 | -177.6 | 74.7 | 0 | 0 | 111.9 | F68 G69 V70 H74 S75 A76 R151 T200 F207 | F68-M72 WeakPolarHBondContact O-CB 3.37Å; F68-M72 VanDerWaalsContact O-CG 3.27Å; F68-M72 WeakPolarHBondContact O-CG 3.18Å; F68-M72 PolarHBondContact O-N 3.13Å; G69-M72 PolarHBondContact O-N 3.47Å; V70-M72 VanDerWaalsContact C-N 3.32Å; V70-M72 PolarHBondContact O-N 3.35Å; M72-H74 VanDerWaalsContact C-N 3.34Å; M72-H74 PolarHBondContact O-N 3.11Å; M72-S75 PolarHBondContact O-N 3.17Å; M72-A76 WeakPolarHBondContact O-CB 3.38Å; M72-A76 PolarHBondContact O-N 3.03Å; M72-R151 VanDerWaalsContact CG-NH1 3.3Å; M72-T200 HydrophobicContact CB-CG2 4.13Å; M72-T200 HydrophobicContact CE-CG2 4.21Å; M72-T200 HydrophobicContact CG-CG2 4.41Å; M72-T200 WeakPolarHBondContact O-CG2 3.3Å; M72-F207 HydrophobicContact SD-CD2 3.62Å; M72-F207 HydrophobicContact SD-CE2 3.78Å |
| 73 | L | 96.3 | Very high | 93.6 | Very high | 50 Ų | 50 | 69.6 Ų | 69.6 | 26% | 0.262 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -60.9 | -43.8 | 175.7 | -72.7 | 169.8 | 0 | 0 | 0 | 111.8 | G69 V70 A76 Y77 Y201 V205 V208 | G69-L73 WeakPolarHBondContact O-CG 3.49Å; G69-L73 PolarHBondContact O-N 2.98Å; V70-L73 PolarHBondContact O-N 2.92Å; L73-A76 PolarHBondContact O-N 3.19Å; L73-Y77 PolarHBondContact O-N 3.27Å; L73-Y201 HydrophobicContact CD2-CD2 3.66Å; L73-Y201 HydrophobicContact CD2-CE2 3.69Å; L73-Y201 HydrophobicContact CD2-CG 4.36Å; L73-V205 HydrophobicContact CD2-CG2 3.98Å; L73-V208 HydrophobicContact CD1-CG2 4.14Å |
| 74 | H | 96.3 | Very high | 93.3 | Very high | 119 Ų | 119 | 65.4 Ų | 65.4 | 55% | 0.551 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -61.9 | -45.6 | 174.4 | -180 | -87.4 | 0 | 0 | 0 | 111.8 | V70 M72 A76 Y77 H78 | V70-H74 WeakPolarHBondContact O-CB 3.42Å; V70-H74 PolarHBondContact O-N 2.82Å; M72-H74 VanDerWaalsContact C-N 3.34Å; M72-H74 PolarHBondContact O-N 3.11Å; H74-A76 PolarHBondContact O-N 3.01Å; H74-Y77 WeakPolarHBondContact O-CB 3.45Å; H74-Y77 PolarHBondContact O-N 3.4Å; H74-H78 AromaticContact CE1-CD2 3.38Å; H74-H78 PolarHBondContact CE1-CD2 2.98Å; H74-H78 AromaticContact CE1-NE2 3.68Å; H74-H78 AromaticContact ND1-CD2 3.79Å; H74-H78 AromaticContact NE2-CD2 3.57Å; H74-H78 AromaticContact NE2-NE2 3.43Å; H74-H78 PolarHBondContact NE2-NE2 3.01Å; H74-H78 PolarHBondContact O-CD2 3.12Å; H74-H78 VanDerWaalsContact O-CD2 3.32Å; H74-H78 PolarHBondContact O-N 3.42Å |
| 75 | S | 92.8 | Very high | 93.1 | Very high | 53 Ų | 53 | 66.1 Ų | 66.1 | 37% | 0.371 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -59.6 | -45.7 | 175.8 | -165.9 | 0 | 0 | 0 | 0 | 111.4 | K71 M72 Y77 H78 M79 | K71-S75 WeakPolarHBondContact O-CB 3.37Å; K71-S75 PolarHBondContact O-N 3.19Å; M72-S75 PolarHBondContact O-N 3.17Å; S75-Y77 VanDerWaalsContact C-N 3.28Å; S75-Y77 PolarHBondContact O-N 2.95Å; S75-H78 PolarHBondContact O-N 3.42Å; S75-H78 VanDerWaalsContact O-N 3.14Å; S75-M79 VanDerWaalsContact O-CG 3.27Å; S75-M79 WeakPolarHBondContact O-CG 3.41Å; S75-M79 PolarHBondContact O-N 3.35Å; S75-M79 VanDerWaalsContact O-N 3.11Å |
| 76 | A | 93.8 | Very high | 93 | Very high | 2 Ų | 2 | 70.3 Ų | 70.3 | 2% | 0.017 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -63.5 | -34.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | M72 L73 H74 H78 M79 K197 T200 Y201 | M72-A76 WeakPolarHBondContact O-CB 3.38Å; M72-A76 PolarHBondContact O-N 3.03Å; L73-A76 PolarHBondContact O-N 3.19Å; H74-A76 PolarHBondContact O-N 3.01Å; A76-H78 VanDerWaalsContact C-N 3.32Å; A76-H78 PolarHBondContact O-N 3.17Å; A76-M79 PolarHBondContact O-N 2.96Å; A76-K197 WeakPolarHBondContact O-CE 3.45Å; A76-K197 WeakPolarHBondContact O-CG 3.45Å; A76-T200 HydrophobicContact CB-CG2 4.07Å; A76-Y201 HydrophobicContact CB-CD2 4.49Å |
| 77 | Y | 94.2 | Very high | 92.7 | Very high | 186 Ų | 186 | 67.7 Ų | 67.7 | 73% | 0.729 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -64.2 | -37.6 | 174.9 | -176.8 | -100.2 | 0 | 0 | 0 | 112.4 | L73 H74 S75 | L73-Y77 PolarHBondContact O-N 3.27Å; H74-Y77 WeakPolarHBondContact O-CB 3.45Å; H74-Y77 PolarHBondContact O-N 3.4Å; S75-Y77 VanDerWaalsContact C-N 3.28Å; S75-Y77 PolarHBondContact O-N 2.95Å |
| 78 | H | 93.1 | Very high | 92.4 | Very high | 124 Ų | 124 | 63.6 Ų | 63.6 | 57% | 0.574 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -87.4 | -1.5 | 179.7 | -74.6 | -69.8 | 0 | 0 | 0 | 114.7 | H74 S75 A76 | H74-H78 AromaticContact CE1-CD2 3.38Å; H74-H78 PolarHBondContact CE1-CD2 2.98Å; H74-H78 AromaticContact CE1-NE2 3.68Å; H74-H78 AromaticContact ND1-CD2 3.79Å; H74-H78 AromaticContact NE2-CD2 3.57Å; H74-H78 AromaticContact NE2-NE2 3.43Å; H74-H78 PolarHBondContact NE2-NE2 3.01Å; H74-H78 PolarHBondContact O-CD2 3.12Å; H74-H78 VanDerWaalsContact O-CD2 3.32Å; H74-H78 PolarHBondContact O-N 3.42Å; S75-H78 PolarHBondContact O-N 3.42Å; S75-H78 VanDerWaalsContact O-N 3.14Å; A76-H78 VanDerWaalsContact C-N 3.32Å; A76-H78 PolarHBondContact O-N 3.17Å |
| 79 | M | 90.6 | Very high | 92.3 | Very high | 31 Ų | 31 | 69 Ų | 69 | 15% | 0.153 | 35% | 0.345 | C | S | . | . | trans | -79.5 | 136.6 | 179.1 | -82.3 | 169.9 | 133.9 | 0 | 0 | 112.7 | S75 A76 A83 V196 K197 T200 | S75-M79 VanDerWaalsContact O-CG 3.27Å; S75-M79 WeakPolarHBondContact O-CG 3.41Å; S75-M79 PolarHBondContact O-N 3.35Å; S75-M79 VanDerWaalsContact O-N 3.11Å; A76-M79 PolarHBondContact O-N 2.96Å; M79-A83 HydrophobicContact CB-CB 4.34Å; M79-A83 HydrophobicContact CE-CB 4.1Å; M79-A83 HydrophobicContact CG-CB 4.29Å; M79-V196 HydrophobicContact CE-CB 4.35Å; M79-V196 HydrophobicContact CE-CG1 3.41Å; M79-V196 VanDerWaalsContact CE-CG1 3.41Å; M79-V196 HydrophobicContact SD-CG1 4.31Å; M79-K197 HydrophobicContact CB-CB 4.02Å; M79-K197 HydrophobicContact CB-CD 4.34Å; M79-K197 HydrophobicContact CB-CG 4.14Å; M79-K197 PolarHBondContact O-NZ 2.97Å; M79-T200 HydrophobicContact SD-CG2 4.37Å | ||
| 80 | T | 90.7 | Very high | 92.1 | Very high | 66 Ų | 66 | 74.7 Ų | 74.7 | 41% | 0.405 | 37% | 0.372 | S | S | . | . | trans | -72.3 | 159.6 | 167.5 | 68.3 | 0 | 0 | 0 | 0 | 109.8 | M82 A83 E86 | T80-M82 PolarHBondContact O-N 3.02Å; T80-M82 PolarHBondContact OG1-N 3.34Å; T80-A83 WeakPolarHBondContact O-CB 3.36Å; T80-A83 PolarHBondContact O-N 3.04Å; T80-A83 PolarHBondContact OG1-N 3.03Å; T80-E86 PolarHBondContact OG1-OE1 3.47Å | ||
| 81 | D | 86.4 | Confident | 91.8 | Very high | 134 Ų | 134 | 72 Ų | 72 | 72% | 0.717 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.8 | -12.6 | 173 | -61.6 | -35.5 | 0 | 0 | 0 | 112.2 | K197 | D81-K197 IonicContact OD1-NZ 3.59Š|
| 82 | M | 89.4 | Confident | 91.6 | Very high | 133 Ų | 133 | 67.3 Ų | 67.3 | 66% | 0.655 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.2 | 4.4 | 178 | -60.4 | -59.5 | -122.7 | 0 | 0 | 113.8 | T80 A84 A85 E86 | T80-M82 PolarHBondContact O-N 3.02Å; T80-M82 PolarHBondContact OG1-N 3.34Å; M82-A84 PolarHBondContact O-N 3.42Å; M82-A85 WeakPolarHBondContact O-CA 3.27Å; M82-A85 WeakPolarHBondContact O-CB 3.46Å; M82-A85 PolarHBondContact O-N 3.17Å; M82-E86 PolarHBondContact O-N 3.05Å; M82-E86 VanDerWaalsContact O-N 3.13Å |
| 83 | A | 90.5 | Very high | 91.5 | Very high | 6 Ų | 6 | 69.8 Ų | 69.8 | 5% | 0.05 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -52.4 | -33.2 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | M79 T80 A85 E86 E87 V196 | M79-A83 HydrophobicContact CB-CB 4.34Å; M79-A83 HydrophobicContact CE-CB 4.1Å; M79-A83 HydrophobicContact CG-CB 4.29Å; T80-A83 WeakPolarHBondContact O-CB 3.36Å; T80-A83 PolarHBondContact O-N 3.04Å; T80-A83 PolarHBondContact OG1-N 3.03Å; A83-A85 VanDerWaalsContact C-N 3.34Å; A83-A85 PolarHBondContact O-N 3.27Å; A83-E86 PolarHBondContact O-N 2.59Å; A83-E87 WeakPolarHBondContact O-CB 3.29Å; A83-E87 VanDerWaalsContact O-CG 3.29Å; A83-E87 WeakPolarHBondContact O-CG 3.47Å; A83-E87 PolarHBondContact O-N 2.86Å; A83-V196 HydrophobicContact CB-CB 4.42Å |
| 84 | A | 89.9 | Confident | 91.1 | Very high | 8 Ų | 8 | 71.1 Ų | 71.1 | 7% | 0.066 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -65.3 | -35.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | F13 M82 L88 S191 I194 V196 | F13-A84 WeakPolarHBondContact CE1-O 3.45Å; F13-A84 HydrophobicContact CZ-CB 4.21Å; M82-A84 PolarHBondContact O-N 3.42Å; A84-L88 WeakPolarHBondContact O-CB 3.49Å; A84-L88 PolarHBondContact O-N 2.87Å; A84-S191 WeakPolarHBondContact CB-O 3.23Å; A84-I194 WeakPolarHBondContact CB-O 3.36Å; A84-V196 HydrophobicContact CB-CG2 3.62Å |
| 85 | A | 90.4 | Very high | 90.7 | Very high | 41 Ų | 41 | 65.5 Ų | 65.5 | 34% | 0.339 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -74.6 | -40.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111 | M82 A83 L88 E89 | M82-A85 WeakPolarHBondContact O-CA 3.27Å; M82-A85 WeakPolarHBondContact O-CB 3.46Å; M82-A85 PolarHBondContact O-N 3.17Å; A83-A85 VanDerWaalsContact C-N 3.34Å; A83-A85 PolarHBondContact O-N 3.27Å; A85-L88 PolarHBondContact O-N 3.16Å; A85-E89 WeakPolarHBondContact O-CB 3.4Å; A85-E89 PolarHBondContact O-N 2.95Å |
| 86 | E | 90.5 | Very high | 90.4 | Very high | 91 Ų | 91 | 68 Ų | 68 | 43% | 0.425 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -58.8 | -53 | 175.8 | -65.2 | 168.9 | -159 | 0 | 0 | 110.7 | T80 M82 A83 L88 E89 E90 | T80-E86 PolarHBondContact OG1-OE1 3.47Å; M82-E86 PolarHBondContact O-N 3.05Å; M82-E86 VanDerWaalsContact O-N 3.13Å; A83-E86 PolarHBondContact O-N 2.59Å; E86-L88 VanDerWaalsContact C-N 3.31Å; E86-L88 PolarHBondContact O-N 3Å; E86-E89 PolarHBondContact O-N 3.4Å; E86-E89 VanDerWaalsContact O-N 3.14Å; E86-E90 WeakPolarHBondContact O-CG 3.35Å; E86-E90 PolarHBondContact O-N 3.2Å |
| 87 | E | 89.9 | Confident | 90.2 | Very high | 48 Ų | 48 | 73.3 Ų | 73.3 | 22% | 0.224 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -61.8 | -36 | 178.2 | -69.4 | -74.6 | 167.3 | 0 | 0 | 112.7 | F13 A83 A91 | F13-E87 HydrophobicContact CD1-CB 4.29Å; F13-E87 HydrophobicContact CD2-CB 3.51Å; F13-E87 HydrophobicContact CD2-CG 4.33Å; F13-E87 HydrophobicContact CE1-CB 4.25Å; F13-E87 HydrophobicContact CE2-CB 3.45Å; F13-E87 VanDerWaalsContact CE2-CB 3.45Å; F13-E87 HydrophobicContact CE2-CG 4.06Å; F13-E87 HydrophobicContact CG-CB 3.95Å; F13-E87 HydrophobicContact CZ-CB 3.86Å; A83-E87 WeakPolarHBondContact O-CB 3.29Å; A83-E87 VanDerWaalsContact O-CG 3.29Å; A83-E87 WeakPolarHBondContact O-CG 3.47Å; A83-E87 PolarHBondContact O-N 2.86Å; E87-A91 WeakPolarHBondContact O-CB 3.35Å; E87-A91 PolarHBondContact O-N 3.48Å |
| 88 | L | 90.7 | Very high | 89.7 | Confident | 7 Ų | 7 | 69.2 Ų | 69.2 | 4% | 0.037 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -68.1 | -40.1 | 175.4 | -178 | 65.2 | 0 | 0 | 0 | 112.1 | F13 T17 M20 A84 A85 E86 Q92 Q192 | F13-L88 HydrophobicContact CD1-CB 3.77Å; F13-L88 HydrophobicContact CD1-CD1 4.06Å; F13-L88 HydrophobicContact CE1-CB 3.97Å; T17-L88 WeakPolarHBondContact OG1-CD1 3.08Å; M20-L88 HydrophobicContact CE-CD1 3.77Å; A84-L88 WeakPolarHBondContact O-CB 3.49Å; A84-L88 PolarHBondContact O-N 2.87Å; A85-L88 PolarHBondContact O-N 3.16Å; E86-L88 VanDerWaalsContact C-N 3.31Å; E86-L88 PolarHBondContact O-N 3Å; L88-Q92 VanDerWaalsContact O-CG 3.3Å; L88-Q92 WeakPolarHBondContact O-CG 3.45Å; L88-Q92 PolarHBondContact O-N 3.08Å; L88-Q192 HydrophobicContact CD2-CG 4.22Å |
| 89 | E | 91.5 | Very high | 89.1 | Confident | 139 Ų | 139 | 66.4 Ų | 66.4 | 65% | 0.65 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -66.7 | -44.1 | 177.1 | -174.5 | 174.5 | 177.8 | 0 | 0 | 111 | A85 E86 A91 Q92 A93 | A85-E89 WeakPolarHBondContact O-CB 3.4Å; A85-E89 PolarHBondContact O-N 2.95Å; E86-E89 PolarHBondContact O-N 3.4Å; E86-E89 VanDerWaalsContact O-N 3.14Å; E89-A91 PolarHBondContact O-N 3.41Å; E89-Q92 WeakPolarHBondContact O-CB 3.34Å; E89-Q92 PolarHBondContact O-N 3Å; E89-A93 WeakPolarHBondContact O-CB 3.27Å; E89-A93 PolarHBondContact O-N 2.89Å |
| 90 | E | 91.2 | Very high | 88.7 | Confident | 120 Ų | 120 | 69 Ų | 69 | 56% | 0.561 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -59.6 | -45.9 | 174.8 | -72.3 | -172.6 | -172.8 | 0 | 0 | 111.9 | E86 Q92 A93 E94 | E86-E90 WeakPolarHBondContact O-CG 3.35Å; E86-E90 PolarHBondContact O-N 3.2Å; E90-Q92 VanDerWaalsContact C-N 3.31Å; E90-Q92 PolarHBondContact O-N 2.91Å; E90-A93 PolarHBondContact O-N 3.48Å; E90-E94 PolarHBondContact O-N 3.27Å |
| 91 | A | 90.2 | Very high | 88.1 | Confident | 12 Ų | 12 | 72.7 Ų | 72.7 | 10% | 0.099 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -61.5 | -38.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | F13 E87 E89 I95 | F13-A91 HydrophobicContact CB-CB 3.93Å; E87-A91 WeakPolarHBondContact O-CB 3.35Å; E87-A91 PolarHBondContact O-N 3.48Å; E89-A91 PolarHBondContact O-N 3.41Å; A91-I95 WeakPolarHBondContact O-CG1 3.35Å; A91-I95 PolarHBondContact O-N 2.9Å |
| 92 | Q | 91.3 | Very high | 87.2 | Confident | 41 Ų | 41 | 68.8 Ų | 68.8 | 19% | 0.192 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -65.4 | -44.6 | 174.7 | -77.1 | 177.1 | 13.3 | 0 | 0 | 112.3 | T17 L88 E89 E90 I95 Q96 | T17-Q92 HydrophobicContact CG2-CB 4.33Å; T17-Q92 HydrophobicContact CG2-CG 3.5Å; T17-Q92 VanDerWaalsContact CG2-CG 3.5Å; L88-Q92 VanDerWaalsContact O-CG 3.3Å; L88-Q92 WeakPolarHBondContact O-CG 3.45Å; L88-Q92 PolarHBondContact O-N 3.08Å; E89-Q92 WeakPolarHBondContact O-CB 3.34Å; E89-Q92 PolarHBondContact O-N 3Å; E90-Q92 VanDerWaalsContact C-N 3.31Å; E90-Q92 PolarHBondContact O-N 2.91Å; Q92-I95 PolarHBondContact O-N 3.23Å; Q92-Q96 WeakPolarHBondContact O-CB 3.46Å; Q92-Q96 VanDerWaalsContact O-CG 3.29Å; Q92-Q96 WeakPolarHBondContact O-CG 3.42Å; Q92-Q96 PolarHBondContact O-N 3.21Å |
| 93 | A | 91.4 | Very high | 85.8 | Confident | 54 Ų | 54 | 66.3 Ų | 66.3 | 45% | 0.446 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -63.5 | -43.1 | 179 | 0 | 0 | 0 | 0 | 0 | 111.8 | E89 E90 Q96 K97 | E89-A93 WeakPolarHBondContact O-CB 3.27Å; E89-A93 PolarHBondContact O-N 2.89Å; E90-A93 PolarHBondContact O-N 3.48Å; A93-Q96 PolarHBondContact O-N 3.29Å; A93-K97 WeakPolarHBondContact O-CB 3.03Å; A93-K97 PolarHBondContact O-N 3.44Å |
| 94 | E | 88.4 | Confident | 84.3 | Confident | 79 Ų | 79 | 70.8 Ų | 70.8 | 37% | 0.369 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -64.9 | -42.8 | 178.6 | 179.1 | 58.5 | -159.6 | 0 | 0 | 111.9 | E90 K97 R98 | E90-E94 PolarHBondContact O-N 3.27Å; E94-K97 PolarHBondContact O-N 3.46Å; E94-R98 WeakPolarHBondContact O-CG 3.44Å; E94-R98 PolarHBondContact O-N 3.28Å; E94-R98 VanDerWaalsContact O-N 3.12Å; E94-R98 IonicContact OE1-CZ 3.22Å; E94-R98 IonicContact OE1-NE 3.97Å; E94-R98 PolarHBondContact OE1-NE 2.99Å; E94-R98 IonicContact OE1-NH2 3.78Å; E94-R98 PolarHBondContact OE1-NH2 2.67Å |
| 95 | I | 86.8 | Confident | 82.6 | Confident | 1 Ų | 1 | 74.7 Ų | 74.7 | 1% | 0.005 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -65.4 | -43.9 | 176.7 | -68.3 | 166.9 | 0 | 0 | 0 | 110.9 | T17 L18 K21 A91 Q92 K97 R98 E99 L142 | T17-I95 HydrophobicContact CG2-CD1 3.52Å; L18-I95 HydrophobicContact CD2-CD1 3.95Å; L18-I95 HydrophobicContact CD2-CG2 4.4Å; L18-I95 HydrophobicContact CG-CD1 3.87Å; K21-I95 HydrophobicContact CD-CG2 4.42Å; A91-I95 WeakPolarHBondContact O-CG1 3.35Å; A91-I95 PolarHBondContact O-N 2.9Å; Q92-I95 PolarHBondContact O-N 3.23Å; I95-K97 VanDerWaalsContact C-N 3.33Å; I95-K97 PolarHBondContact O-N 3.08Å; I95-R98 PolarHBondContact O-N 3.14Å; I95-R98 VanDerWaalsContact O-N 3.16Å; I95-E99 WeakPolarHBondContact O-CG 3.38Å; I95-E99 PolarHBondContact O-N 3.01Å; I95-L142 HydrophobicContact CG1-CD1 4.39Å |
| 96 | Q | 88.5 | Confident | 80.8 | Confident | 104 Ų | 104 | 81.4 Ų | 81.4 | 49% | 0.486 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -61.9 | -39.1 | 176.6 | -74.4 | 177.2 | 1.7 | 0 | 0 | 112.6 | Q92 A93 R98 E99 T100 | Q92-Q96 WeakPolarHBondContact O-CB 3.46Å; Q92-Q96 VanDerWaalsContact O-CG 3.29Å; Q92-Q96 WeakPolarHBondContact O-CG 3.42Å; Q92-Q96 PolarHBondContact O-N 3.21Å; A93-Q96 PolarHBondContact O-N 3.29Å; Q96-R98 VanDerWaalsContact C-N 3.29Å; Q96-R98 PolarHBondContact O-N 3.41Å; Q96-E99 PolarHBondContact O-N 2.92Å; Q96-T100 WeakPolarHBondContact O-CG2 3.24Å; Q96-T100 PolarHBondContact O-N 2.93Å; Q96-T100 PolarHBondContact O-OG1 3.06Å |
| 97 | K | 88.4 | Confident | 78.1 | Confident | 114 Ų | 114 | 81.9 Ų | 81.9 | 50% | 0.496 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -64 | -33.8 | 175.5 | -175.4 | 178.6 | 178 | -176.7 | 0 | 112.3 | A93 E94 I95 T100 K101 | A93-K97 WeakPolarHBondContact O-CB 3.03Å; A93-K97 PolarHBondContact O-N 3.44Å; E94-K97 PolarHBondContact O-N 3.46Å; I95-K97 VanDerWaalsContact C-N 3.33Å; I95-K97 PolarHBondContact O-N 3.08Å; K97-T100 WeakPolarHBondContact CA-OG1 3.35Å; K97-T100 PolarHBondContact O-OG1 2.89Å; K97-K101 WeakPolarHBondContact O-CG 3.13Å; K97-K101 PolarHBondContact O-N 3.34Å |
| 98 | R | 83.1 | Confident | 75.6 | Confident | 101 Ų | 101 | 84.8 Ų | 84.8 | 38% | 0.381 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -72.5 | -41.8 | 174.4 | -70.1 | 177.9 | -173.8 | -146.4 | 6.2 | 112.2 | E94 I95 Q96 K101 S102 | E94-R98 WeakPolarHBondContact O-CG 3.44Å; E94-R98 PolarHBondContact O-N 3.28Å; E94-R98 VanDerWaalsContact O-N 3.12Å; E94-R98 IonicContact OE1-CZ 3.22Å; E94-R98 IonicContact OE1-NE 3.97Å; E94-R98 PolarHBondContact OE1-NE 2.99Å; E94-R98 IonicContact OE1-NH2 3.78Å; E94-R98 PolarHBondContact OE1-NH2 2.67Å; I95-R98 PolarHBondContact O-N 3.14Å; I95-R98 VanDerWaalsContact O-N 3.16Å; Q96-R98 VanDerWaalsContact C-N 3.29Å; Q96-R98 PolarHBondContact O-N 3.41Å; R98-K101 PolarHBondContact O-N 2.83Å; R98-S102 WeakPolarHBondContact O-CB 3.36Å; R98-S102 PolarHBondContact O-N 2.8Å |
| 99 | E | 80.8 | Confident | 73.4 | Confident | 64 Ų | 64 | 90 Ų | 90 | 30% | 0.299 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -58.8 | -49.9 | 176.6 | -74.3 | 171.1 | 174.5 | 0 | 0 | 111.3 | K21 I95 Q96 K101 S102 S103 | K21-E99 WeakPolarHBondContact CD-OE1 3.35Å; K21-E99 IonicContact NZ-OE1 3.28Å; K21-E99 PolarHBondContact NZ-OE1 3.38Å; K21-E99 IonicContact NZ-OE2 3.53Å; K21-E99 PolarHBondContact NZ-OE2 3.02Å; I95-E99 WeakPolarHBondContact O-CG 3.38Å; I95-E99 PolarHBondContact O-N 3.01Å; Q96-E99 PolarHBondContact O-N 2.92Å; E99-K101 PolarHBondContact O-N 3.34Å; E99-S102 PolarHBondContact O-N 3.38Å; E99-S102 VanDerWaalsContact O-N 3.08Å; E99-S103 PolarHBondContact O-N 2.98Å; E99-S103 PolarHBondContact O-OG 3.47Å |
| 100 | T | 81.8 | Confident | 70.8 | Confident | 87 Ų | 87 | 86.8 Ų | 86.8 | 53% | 0.534 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -60.3 | -41.9 | 179.7 | 48.4 | 0 | 0 | 0 | 0 | 112.9 | Q96 K97 S103 S104 | Q96-T100 WeakPolarHBondContact O-CG2 3.24Å; Q96-T100 PolarHBondContact O-N 2.93Å; Q96-T100 PolarHBondContact O-OG1 3.06Å; K97-T100 WeakPolarHBondContact CA-OG1 3.35Å; K97-T100 PolarHBondContact O-OG1 2.89Å; T100-S103 WeakPolarHBondContact CA-OG 3.15Å; T100-S103 PolarHBondContact O-OG 3.17Å; T100-S104 PolarHBondContact O-N 3.09Å |
| 101 | K | 78 | Confident | 68.2 | Low | 142 Ų | 142 | 88.4 Ų | 88.4 | 62% | 0.617 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -63.7 | -39.6 | 172.9 | -74.5 | -179.7 | 178.5 | -172.1 | 0 | 112.5 | K97 R98 E99 S104 | K97-K101 WeakPolarHBondContact O-CG 3.13Å; K97-K101 PolarHBondContact O-N 3.34Å; R98-K101 PolarHBondContact O-N 2.83Å; E99-K101 PolarHBondContact O-N 3.34Å; K101-S104 PolarHBondContact O-N 3.4Å |
| 102 | S | 68.2 | Low | 66.3 | Low | 53 Ų | 53 | 95.8 Ų | 95.8 | 37% | 0.371 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -77.3 | -24 | -178 | -157.4 | 0 | 0 | 0 | 0 | 113.5 | R98 E99 S105 | R98-S102 WeakPolarHBondContact O-CB 3.36Å; R98-S102 PolarHBondContact O-N 2.8Å; E99-S102 PolarHBondContact O-N 3.38Å; E99-S102 VanDerWaalsContact O-N 3.08Å; S102-S105 PolarHBondContact O-OG 3.49Å; S102-S105 VanDerWaalsContact O-OG 3.08Å |
| 103 | S | 59.7 | Low | 64.2 | Low | 80 Ų | 80 | 102.8 Ų | 102.8 | 56% | 0.559 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -76.7 | -32.6 | 170.5 | 43.8 | 0 | 0 | 0 | 0 | 112.7 | E99 T100 S105 R106 | E99-S103 PolarHBondContact O-N 2.98Å; E99-S103 PolarHBondContact O-OG 3.47Å; T100-S103 WeakPolarHBondContact CA-OG 3.15Å; T100-S103 PolarHBondContact O-OG 3.17Å; S103-S105 PolarHBondContact O-N 2.94Å; S103-R106 PolarHBondContact O-N 3.39Å |
| 104 | S | 59 | Low | 61.9 | Low | 100 Ų | 100 | 106 Ų | 106 | 70% | 0.699 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.1 | -17.2 | 177.2 | -169.2 | 0 | 0 | 0 | 0 | 113.5 | T100 K101 | T100-S104 PolarHBondContact O-N 3.09Å; K101-S104 PolarHBondContact O-N 3.4Å |
| 105 | S | 54.5 | Low | 60 | Low | 91 Ų | 91 | 104 Ų | 104 | 64% | 0.636 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.1 | 1 | 177.2 | 53.8 | 0 | 0 | 0 | 0 | 114.2 | S102 S103 | S102-S105 PolarHBondContact O-OG 3.49Å; S102-S105 VanDerWaalsContact O-OG 3.08Å; S103-S105 PolarHBondContact O-N 2.94Å |
| 106 | R | 51.8 | Low | 58.3 | Low | 182 Ų | 182 | 108.2 Ų | 108.2 | 69% | 0.687 | 62% | 0.62 | S | S | * | * | trans | -113 | 19.2 | -174.5 | -94.3 | 179.7 | -171 | 161.8 | 5.5 | 115.5 | S103 S108 | S103-R106 PolarHBondContact O-N 3.39Å; R106-S108 PolarHBondContact O-N 3.44Å | ||
| 107 | S | 34.2 | Very low | 56.8 | Low | 100 Ų | 100 | 108.7 Ų | 108.7 | 70% | 0.699 | 63% | 0.629 | S | S | * | * | trans | -70.9 | 119.2 | 171.3 | 51.9 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 108 | S | 38.8 | Very low | 55.3 | Low | 109 Ų | 109 | 108 Ų | 108 | 76% | 0.762 | 64% | 0.639 | S | S | * | * | trans | 104.1 | 143.5 | 160.2 | -59.3 | 0 | 0 | 0 | 0 | 117.8 | R106 | R106-S108 PolarHBondContact O-N 3.44Š| ||
| 109 | P | 42.8 | Very low | 54 | Low | 118 Ų | 118 | 109 Ų | 109 | 77% | 0.766 | 64% | 0.644 | S | S | * | * | -142.2 | -167.9 | -67.1 | 30.8 | -8 | 0 | 0 | 0 | 112 | |||||
| 110 | A | 37.9 | Very low | 53 | Low | 71 Ų | 71 | 112.9 Ų | 112.9 | 59% | 0.587 | 66% | 0.656 | S | S | * | * | trans | 95.1 | 111.1 | 141.8 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 111 | D | 36.4 | Very low | 52.3 | Low | 153 Ų | 153 | 113.5 Ų | 113.5 | 82% | 0.818 | 65% | 0.652 | S | S | * | * | 61 | 103.2 | 122.3 | -48.4 | -22.9 | 0 | 0 | 0 | 118.5 | |||||
| 112 | L | 49.7 | Very low | 51.9 | Low | 168 Ų | 168 | 108.6 Ų | 108.6 | 88% | 0.88 | 64% | 0.642 | S | S | * | * | trans | -146.6 | 82.7 | 154.1 | -98.1 | 157.8 | 0 | 0 | 0 | 108.3 | ||||
| 113 | E | 47.8 | Very low | 52.1 | Low | 188 Ų | 188 | 110 Ų | 110 | 88% | 0.879 | 64% | 0.644 | S | S | * | * | trans | -75.4 | 149.9 | 161.6 | -77.6 | -160.1 | 136 | 0 | 0 | 110.7 | ||||
| 114 | S | 44 | Very low | 52.7 | Low | 122 Ų | 122 | 113 Ų | 113 | 85% | 0.853 | 64% | 0.643 | S | S | * | * | trans | 84.2 | 118.8 | 161.1 | -162 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 115 | G | 47.9 | Very low | 53.3 | Low | 37 Ų | 37 | 115.9 Ų | 115.9 | 38% | 0.381 | 64% | 0.639 | S | S | . | * | trans | 156.4 | 114 | 158.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | Y119 | G115-Y119 WeakPolarHBondContact O-CD1 3.26Š| ||
| 116 | S | 50.8 | Low | 54.3 | Low | 89 Ų | 89 | 117 Ų | 117 | 62% | 0.622 | 63% | 0.633 | S | S | * | * | trans | 23.4 | 140.2 | 159.5 | 61.6 | 0 | 0 | 0 | 0 | 121.7 | S118 Y119 R120 | S116-S118 VanDerWaalsContact C-N 3.27Å; S116-S118 PolarHBondContact O-N 3.41Å; S116-S118 VanDerWaalsContact O-N 3.08Å; S116-Y119 CarbonylContact O-C 3.51Å; S116-Y119 WeakPolarHBondContact O-CA 3.47Å; S116-Y119 WeakPolarHBondContact O-CB 3.37Å; S116-Y119 PolarHBondContact O-N 2.84Å; S116-Y119 VanDerWaalsContact OG-CB 3.24Å; S116-Y119 WeakPolarHBondContact OG-CB 3.4Å; S116-R120 PolarHBondContact O-N 2.88Å | ||
| 117 | V | 57.6 | Low | 55.4 | Low | 114 Ų | 114 | 110.9 Ų | 110.9 | 69% | 0.691 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -53 | -36.3 | -176.2 | 179.5 | 0 | 0 | 0 | 0 | 114 | R120 E121 | V117-R120 WeakPolarHBondContact O-CB 3.26Å; V117-R120 PolarHBondContact O-N 2.86Å; V117-E121 PolarHBondContact O-N 2.89Å; V117-E121 VanDerWaalsContact O-N 3.17Å |
| 118 | S | 56.6 | Low | 57.3 | Low | 100 Ų | 100 | 111.1 Ų | 111.1 | 70% | 0.699 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -71.5 | -36.9 | 174.6 | -172.4 | 0 | 0 | 0 | 0 | 112.8 | S116 E121 G122 | S116-S118 VanDerWaalsContact C-N 3.27Å; S116-S118 PolarHBondContact O-N 3.41Å; S116-S118 VanDerWaalsContact O-N 3.08Å; S118-E121 PolarHBondContact O-N 2.98Å; S118-G122 PolarHBondContact O-N 3.22Å; S118-G122 VanDerWaalsContact O-N 3.12Å |
| 119 | Y | 56.5 | Low | 59 | Low | 121 Ų | 121 | 111.4 Ų | 111.4 | 48% | 0.475 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -69.9 | -35.6 | 172.7 | -172 | -112.7 | 0 | 0 | 0 | 111.6 | G115 S116 E121 G122 I123 | G115-Y119 WeakPolarHBondContact O-CD1 3.26Å; S116-Y119 CarbonylContact O-C 3.51Å; S116-Y119 WeakPolarHBondContact O-CA 3.47Å; S116-Y119 WeakPolarHBondContact O-CB 3.37Å; S116-Y119 PolarHBondContact O-N 2.84Å; S116-Y119 VanDerWaalsContact OG-CB 3.24Å; S116-Y119 WeakPolarHBondContact OG-CB 3.4Å; Y119-E121 VanDerWaalsContact C-N 3.31Å; Y119-E121 PolarHBondContact O-N 2.65Å; Y119-G122 PolarHBondContact O-N 3.14Å; Y119-G122 VanDerWaalsContact O-N 3.15Å; Y119-I123 HydrophobicContact CD1-CD1 3.29Å; Y119-I123 HydrophobicContact CD1-CG1 4.04Å; Y119-I123 HydrophobicContact CE1-CD1 3.1Å; Y119-I123 HydrophobicContact CE1-CG1 3.81Å; Y119-I123 HydrophobicContact CE2-CG1 4.4Å; Y119-I123 HydrophobicContact CG-CD1 4.12Å; Y119-I123 HydrophobicContact CG-CG1 4.44Å; Y119-I123 WeakPolarHBondContact O-CG1 3.49Å; Y119-I123 PolarHBondContact O-N 3.26Å |
| 120 | R | 58.2 | Low | 60.6 | Low | 146 Ų | 146 | 113.7 Ų | 113.7 | 55% | 0.551 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -60.9 | -37.8 | 172.8 | -164.5 | 179.9 | -170.3 | -177.2 | 3.5 | 112 | S116 V117 R124 | S116-R120 PolarHBondContact O-N 2.88Å; V117-R120 WeakPolarHBondContact O-CB 3.26Å; V117-R120 PolarHBondContact O-N 2.86Å; R120-R124 WeakPolarHBondContact O-CB 3.31Å; R120-R124 WeakPolarHBondContact O-CD 3.32Å; R120-R124 WeakPolarHBondContact O-CG 3.26Å; R120-R124 PolarHBondContact O-N 3Å |
| 121 | E | 67.3 | Low | 62.7 | Low | 100 Ų | 100 | 115.9 Ų | 115.9 | 47% | 0.467 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -67.5 | -44.5 | 171.6 | -72.9 | -170.2 | -168.5 | 0 | 0 | 112.1 | V117 S118 Y119 R124 R125 | V117-E121 PolarHBondContact O-N 2.89Å; V117-E121 VanDerWaalsContact O-N 3.17Å; S118-E121 PolarHBondContact O-N 2.98Å; Y119-E121 VanDerWaalsContact C-N 3.31Å; Y119-E121 PolarHBondContact O-N 2.65Å; E121-R124 PolarHBondContact O-N 3.36Å; E121-R125 WeakPolarHBondContact O-CB 3.41Å; E121-R125 WeakPolarHBondContact O-CG 3.2Å; E121-R125 PolarHBondContact O-N 3.47Å; E121-R125 IonicContact OE2-NH2 2.83Å |
| 122 | G | 70.3 | Confident | 64.8 | Low | 39 Ų | 39 | 112.1 Ų | 112.1 | 40% | 0.402 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -58.7 | -48.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | S118 Y119 R125 F126 | S118-G122 PolarHBondContact O-N 3.22Å; S118-G122 VanDerWaalsContact O-N 3.12Å; Y119-G122 PolarHBondContact O-N 3.14Å; Y119-G122 VanDerWaalsContact O-N 3.15Å; G122-R125 PolarHBondContact O-N 3.38Å; G122-F126 WeakPolarHBondContact O-CB 3.44Å; G122-F126 PolarHBondContact O-N 3.11Å |
| 123 | I | 71.9 | Confident | 66.5 | Low | 81 Ų | 81 | 105.1 Ų | 105.1 | 42% | 0.415 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -63.6 | -46.1 | 176.2 | -64.6 | 164.1 | 0 | 0 | 0 | 110.9 | Y119 R125 F126 A127 | Y119-I123 HydrophobicContact CD1-CD1 3.29Å; Y119-I123 HydrophobicContact CD1-CG1 4.04Å; Y119-I123 HydrophobicContact CE1-CD1 3.1Å; Y119-I123 HydrophobicContact CE1-CG1 3.81Å; Y119-I123 HydrophobicContact CE2-CG1 4.4Å; Y119-I123 HydrophobicContact CG-CD1 4.12Å; Y119-I123 HydrophobicContact CG-CG1 4.44Å; Y119-I123 WeakPolarHBondContact O-CG1 3.49Å; Y119-I123 PolarHBondContact O-N 3.26Å; I123-R125 VanDerWaalsContact C-N 3.35Å; I123-R125 PolarHBondContact O-N 2.83Å; I123-F126 PolarHBondContact O-N 2.98Å; I123-A127 WeakPolarHBondContact O-CB 3.49Å; I123-A127 PolarHBondContact O-N 3.15Å |
| 124 | R | 73 | Confident | 68.4 | Low | 143 Ų | 143 | 99.2 Ų | 99.2 | 54% | 0.54 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -61.2 | -43.8 | 177.8 | -78.8 | 174.2 | 171.3 | -170.3 | -5 | 111.3 | R120 E121 A127 L128 | R120-R124 WeakPolarHBondContact O-CB 3.31Å; R120-R124 WeakPolarHBondContact O-CD 3.32Å; R120-R124 WeakPolarHBondContact O-CG 3.26Å; R120-R124 PolarHBondContact O-N 3Å; E121-R124 PolarHBondContact O-N 3.36Å; R124-A127 PolarHBondContact O-N 3.4Å; R124-L128 VanDerWaalsContact O-CB 3.28Å; R124-L128 WeakPolarHBondContact O-CB 3.25Å; R124-L128 WeakPolarHBondContact O-CG 3.29Å; R124-L128 PolarHBondContact O-N 3.29Å |
| 125 | R | 72.5 | Confident | 70.6 | Confident | 161 Ų | 161 | 93.6 Ų | 93.6 | 61% | 0.608 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -61.6 | -44.1 | 174.6 | -73.7 | 176.4 | -170.4 | -159.2 | 7.8 | 110.9 | E121 G122 I123 L128 L129 | E121-R125 WeakPolarHBondContact O-CB 3.41Å; E121-R125 WeakPolarHBondContact O-CG 3.2Å; E121-R125 PolarHBondContact O-N 3.47Å; E121-R125 IonicContact OE2-NH2 2.83Å; G122-R125 PolarHBondContact O-N 3.38Å; I123-R125 VanDerWaalsContact C-N 3.35Å; I123-R125 PolarHBondContact O-N 2.83Å; R125-L128 PolarHBondContact O-N 2.92Å; R125-L129 VanDerWaalsContact O-CB 3.3Å; R125-L129 WeakPolarHBondContact O-CB 3.31Å; R125-L129 WeakPolarHBondContact O-CG 3.43Å; R125-L129 PolarHBondContact O-N 2.89Å |
| 126 | F | 73.5 | Confident | 72.9 | Confident | 115 Ų | 115 | 94.3 Ų | 94.3 | 50% | 0.504 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -64.9 | -42.1 | 177.6 | -173.4 | -103.4 | 0 | 0 | 0 | 112.6 | G122 I123 L129 R130 | G122-F126 WeakPolarHBondContact O-CB 3.44Å; G122-F126 PolarHBondContact O-N 3.11Å; I123-F126 PolarHBondContact O-N 2.98Å; F126-L129 PolarHBondContact O-N 2.89Å; F126-R130 HydrophobicContact CD1-CG 4.46Å; F126-R130 HydrophobicContact CE1-CG 4.19Å; F126-R130 VanDerWaalsContact CE1-CZ 3.43Å; F126-R130 HydrophobicContact CZ-CG 4.34Å; F126-R130 VanDerWaalsContact CZ-NE 3.27Å; F126-R130 WeakPolarHBondContact O-CB 3.24Å; F126-R130 WeakPolarHBondContact O-CG 3.47Å; F126-R130 PolarHBondContact O-N 3.24Å |
| 127 | A | 75.5 | Confident | 74.9 | Confident | 54 Ų | 54 | 96.3 Ų | 96.3 | 45% | 0.446 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -64.8 | -42.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | I123 R124 R130 F131 | I123-A127 WeakPolarHBondContact O-CB 3.49Å; I123-A127 PolarHBondContact O-N 3.15Å; R124-A127 PolarHBondContact O-N 3.4Å; A127-R130 PolarHBondContact O-N 2.88Å; A127-F131 WeakPolarHBondContact O-CB 3.28Å; A127-F131 PolarHBondContact O-N 3.43Å |
| 128 | L | 74.1 | Confident | 76.6 | Confident | 104 Ų | 104 | 93 Ų | 93 | 55% | 0.545 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -64.2 | -44.5 | 174.3 | -74.4 | 171.5 | 0 | 0 | 0 | 111.6 | R124 R125 F131 I132 | R124-L128 VanDerWaalsContact O-CB 3.28Å; R124-L128 WeakPolarHBondContact O-CB 3.25Å; R124-L128 WeakPolarHBondContact O-CG 3.29Å; R124-L128 PolarHBondContact O-N 3.29Å; R125-L128 PolarHBondContact O-N 2.92Å; L128-F131 PolarHBondContact O-N 3.49Å; L128-I132 VanDerWaalsContact O-CB 3.29Å; L128-I132 WeakPolarHBondContact O-CB 3.19Å; L128-I132 WeakPolarHBondContact O-CD1 3.48Å; L128-I132 WeakPolarHBondContact O-CG1 3.1Å; L128-I132 PolarHBondContact O-N 3.18Å |
| 129 | L | 75.9 | Confident | 78.4 | Confident | 116 Ų | 116 | 88.2 Ų | 88.2 | 61% | 0.607 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -64.9 | -38.4 | 176.6 | -73.4 | 171.6 | 0 | 0 | 0 | 111.8 | R125 F126 G133 | R125-L129 VanDerWaalsContact O-CB 3.3Å; R125-L129 WeakPolarHBondContact O-CB 3.31Å; R125-L129 WeakPolarHBondContact O-CG 3.43Å; R125-L129 PolarHBondContact O-N 2.89Å; F126-L129 PolarHBondContact O-N 2.89Å; L129-G133 WeakPolarHBondContact O-CA 3.48Å; L129-G133 PolarHBondContact O-N 3.44Å |
| 130 | R | 76.5 | Confident | 80.3 | Confident | 166 Ų | 166 | 84.2 Ų | 84.2 | 63% | 0.626 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -65.1 | -41.3 | 172.2 | -82.4 | -168.8 | 161.1 | -176.6 | -1.3 | 112.2 | F126 A127 T134 | F126-R130 HydrophobicContact CD1-CG 4.46Å; F126-R130 HydrophobicContact CE1-CG 4.19Å; F126-R130 VanDerWaalsContact CE1-CZ 3.43Å; F126-R130 HydrophobicContact CZ-CG 4.34Å; F126-R130 VanDerWaalsContact CZ-NE 3.27Å; F126-R130 WeakPolarHBondContact O-CB 3.24Å; F126-R130 WeakPolarHBondContact O-CG 3.47Å; F126-R130 PolarHBondContact O-N 3.24Å; A127-R130 PolarHBondContact O-N 2.88Å; R130-T134 WeakPolarHBondContact O-CB 3.34Å; R130-T134 PolarHBondContact O-N 3.26Å; R130-T134 PolarHBondContact O-OG1 3.05Å |
| 131 | F | 80.8 | Confident | 82 | Confident | 116 Ų | 116 | 80.7 Ų | 80.7 | 51% | 0.509 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -66.6 | -49.5 | 176.8 | -177 | -100.8 | 0 | 0 | 0 | 111.5 | Y22 A127 L128 G133 T134 V135 | Y22-F131 HydrophobicContact CD1-CZ 4.27Å; Y22-F131 HydrophobicContact CE1-CZ 4.48Å; A127-F131 WeakPolarHBondContact O-CB 3.28Å; A127-F131 PolarHBondContact O-N 3.43Å; L128-F131 PolarHBondContact O-N 3.49Å; F131-G133 VanDerWaalsContact C-N 3.32Å; F131-G133 PolarHBondContact O-N 3.41Å; F131-T134 WeakPolarHBondContact O-CB 3.4Å; F131-T134 PolarHBondContact O-N 3.33Å; F131-T134 VanDerWaalsContact O-N 3.16Å; F131-V135 HydrophobicContact CD1-CG2 4.4Å; F131-V135 HydrophobicContact CE1-CG2 4.02Å; F131-V135 HydrophobicContact CE2-CG2 4.4Å; F131-V135 HydrophobicContact CZ-CG2 4.02Å; F131-V135 WeakPolarHBondContact O-CG2 3.36Å; F131-V135 PolarHBondContact O-N 3.45Å |
| 132 | I | 80.6 | Confident | 83.3 | Confident | 74 Ų | 74 | 76.3 Ų | 76.3 | 38% | 0.379 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -57.8 | -46.1 | 175 | -69.5 | 164 | 0 | 0 | 0 | 110.2 | V26 L128 T134 V135 F136 | V26-I132 HydrophobicContact CG1-CG2 3.99Å; V26-I132 WeakPolarHBondContact CG1-O 3.48Å; V26-I132 HydrophobicContact CG2-CG1 4.38Å; V26-I132 HydrophobicContact CG2-CG2 3.98Å; L128-I132 VanDerWaalsContact O-CB 3.29Å; L128-I132 WeakPolarHBondContact O-CB 3.19Å; L128-I132 WeakPolarHBondContact O-CD1 3.48Å; L128-I132 WeakPolarHBondContact O-CG1 3.1Å; L128-I132 PolarHBondContact O-N 3.18Å; I132-T134 PolarHBondContact O-N 2.9Å; I132-V135 PolarHBondContact O-N 2.73Å; I132-F136 WeakPolarHBondContact O-CB 3.37Å; I132-F136 PolarHBondContact O-N 2.83Å |
| 133 | G | 84.9 | Confident | 84.4 | Confident | 22 Ų | 22 | 74.6 Ų | 74.6 | 23% | 0.227 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -60 | -45 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | L129 F131 F136 F137 | L129-G133 WeakPolarHBondContact O-CA 3.48Å; L129-G133 PolarHBondContact O-N 3.44Å; F131-G133 VanDerWaalsContact C-N 3.32Å; F131-G133 PolarHBondContact O-N 3.41Å; G133-F136 PolarHBondContact O-N 2.93Å; G133-F137 WeakPolarHBondContact O-CB 3.33Å; G133-F137 WeakPolarHBondContact O-CD2 3.32Å; G133-F137 PolarHBondContact O-N 3.18Å |
| 134 | T | 89.1 | Confident | 85.5 | Confident | 64 Ų | 64 | 72.2 Ų | 72.2 | 39% | 0.393 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -60.3 | -49.1 | 178 | -57.7 | 0 | 0 | 0 | 0 | 111.4 | R130 F131 I132 F137 E138 | R130-T134 WeakPolarHBondContact O-CB 3.34Å; R130-T134 PolarHBondContact O-N 3.26Å; R130-T134 PolarHBondContact O-OG1 3.05Å; F131-T134 WeakPolarHBondContact O-CB 3.4Å; F131-T134 PolarHBondContact O-N 3.33Å; F131-T134 VanDerWaalsContact O-N 3.16Å; I132-T134 PolarHBondContact O-N 2.9Å; T134-F137 PolarHBondContact O-N 3.02Å; T134-E138 WeakPolarHBondContact O-CB 3.27Å; T134-E138 PolarHBondContact O-N 3.48Å |
| 135 | V | 90.1 | Very high | 86.5 | Confident | 4 Ų | 4 | 71.6 Ų | 71.6 | 2% | 0.024 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -64 | -42.6 | 178.1 | 171.8 | 0 | 0 | 0 | 0 | 111.5 | Y22 V26 V27 F131 I132 E138 A139 | Y22-V135 HydrophobicContact CD1-CG1 4.26Å; Y22-V135 HydrophobicContact CD1-CG2 3.55Å; Y22-V135 HydrophobicContact CD2-CG1 3.99Å; Y22-V135 HydrophobicContact CD2-CG2 4.45Å; Y22-V135 HydrophobicContact CE1-CG2 3.86Å; Y22-V135 HydrophobicContact CG-CB 4.44Å; Y22-V135 HydrophobicContact CG-CG1 3.69Å; Y22-V135 HydrophobicContact CG-CG2 3.87Å; V26-V135 HydrophobicContact CB-CG1 4.16Å; V26-V135 HydrophobicContact CG1-CB 3.96Å; V26-V135 HydrophobicContact CG1-CG1 3.68Å; V27-V135 HydrophobicContact CG2-CG1 4.26Å; F131-V135 HydrophobicContact CD1-CG2 4.4Å; F131-V135 HydrophobicContact CE1-CG2 4.02Å; F131-V135 HydrophobicContact CE2-CG2 4.4Å; F131-V135 HydrophobicContact CZ-CG2 4.02Å; F131-V135 WeakPolarHBondContact O-CG2 3.36Å; F131-V135 PolarHBondContact O-N 3.45Å; I132-V135 PolarHBondContact O-N 2.73Å; V135-E138 PolarHBondContact O-N 2.97Å; V135-A139 WeakPolarHBondContact O-CB 3.37Å; V135-A139 PolarHBondContact O-N 2.58Å |
| 136 | F | 95.2 | Very high | 87.4 | Confident | 51 Ų | 51 | 65.6 Ų | 65.6 | 22% | 0.224 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -59.8 | -49.3 | 177.5 | 175.7 | -87.2 | 0 | 0 | 0 | 110.9 | V26 A29 T33 I132 G133 E138 A139 F140 | V26-F136 HydrophobicContact CG1-CB 3.9Å; A29-F136 HydrophobicContact CB-CD2 4.11Å; A29-F136 HydrophobicContact CB-CE2 3.98Å; T33-F136 HydrophobicContact CG2-CZ 4.11Å; I132-F136 WeakPolarHBondContact O-CB 3.37Å; I132-F136 PolarHBondContact O-N 2.83Å; G133-F136 PolarHBondContact O-N 2.93Å; F136-E138 VanDerWaalsContact C-N 3.35Å; F136-A139 PolarHBondContact O-N 2.97Å; F136-F140 VanDerWaalsContact O-CB 3.25Å; F136-F140 WeakPolarHBondContact O-CB 3.05Å; F136-F140 PolarHBondContact O-N 3.09Å |
| 137 | F | 93.2 | Very high | 88.3 | Confident | 131 Ų | 131 | 60.2 Ų | 60.2 | 58% | 0.575 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -66.3 | -37.1 | 178.5 | -82 | -65.6 | 0 | 0 | 0 | 111.9 | G133 T134 F140 I141 | G133-F137 WeakPolarHBondContact O-CB 3.33Å; G133-F137 WeakPolarHBondContact O-CD2 3.32Å; G133-F137 PolarHBondContact O-N 3.18Å; T134-F137 PolarHBondContact O-N 3.02Å; F137-F140 PolarHBondContact O-N 2.81Å; F137-I141 VanDerWaalsContact O-CB 3.29Å; F137-I141 WeakPolarHBondContact O-CB 3.41Å; F137-I141 WeakPolarHBondContact O-CG1 3.29Å; F137-I141 PolarHBondContact O-N 3.22Å |
| 138 | E | 92.2 | Very high | 89 | Confident | 44 Ų | 44 | 64.2 Ų | 64.2 | 21% | 0.206 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -61.1 | -50.8 | 174.6 | -176.4 | 176.1 | 179.3 | 0 | 0 | 111.1 | Y22 T134 V135 F136 F140 I141 L142 | Y22-E138 WeakPolarHBondContact CE2-OE2 3.26Å; Y22-E138 PolarHBondContact OH-OE2 3.44Å; T134-E138 WeakPolarHBondContact O-CB 3.27Å; T134-E138 PolarHBondContact O-N 3.48Å; V135-E138 PolarHBondContact O-N 2.97Å; F136-E138 VanDerWaalsContact C-N 3.35Å; E138-F140 PolarHBondContact O-N 3.28Å; E138-I141 PolarHBondContact O-N 3.22Å; E138-L142 HydrophobicContact CG-CD1 3.76Å; E138-L142 VanDerWaalsContact O-CB 3.26Å; E138-L142 WeakPolarHBondContact O-CB 2.87Å; E138-L142 WeakPolarHBondContact O-CD1 2.99Å; E138-L142 VanDerWaalsContact O-CG 3.31Å; E138-L142 WeakPolarHBondContact O-CG 3.13Å; E138-L142 PolarHBondContact O-N 3.32Å |
| 139 | A | 94.5 | Very high | 89.7 | Confident | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -61.5 | -42.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | L18 V27 V135 F136 T143 | L18-A139 HydrophobicContact CD1-CB 3.96Å; V27-A139 HydrophobicContact CG1-CB 4.44Å; V135-A139 WeakPolarHBondContact O-CB 3.37Å; V135-A139 PolarHBondContact O-N 2.58Å; F136-A139 PolarHBondContact O-N 2.97Å; A139-T143 VanDerWaalsContact O-CB 3.26Å; A139-T143 WeakPolarHBondContact O-CB 3.35Å; A139-T143 PolarHBondContact O-N 3.24Å; A139-T143 PolarHBondContact O-OG1 2.84Å |
| 140 | F | 96.3 | Very high | 90.4 | Very high | 38 Ų | 38 | 57.8 Ų | 57.8 | 17% | 0.167 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -60 | -54.4 | 176.5 | 176.1 | -87.4 | 0 | 0 | 0 | 111.3 | G30 T33 A34 V37 F136 F137 E138 L142 T143 F144 | G30-F140 WeakPolarHBondContact O-CA 3.3Å; T33-F140 HydrophobicContact CG2-CD2 4.06Å; T33-F140 HydrophobicContact CG2-CE2 3.98Å; A34-F140 HydrophobicContact CB-CD2 3.69Å; A34-F140 HydrophobicContact CB-CE2 3.96Å; A34-F140 HydrophobicContact CB-CG 4.2Å; A34-F140 WeakPolarHBondContact CB-O 3.42Å; V37-F140 HydrophobicContact CG2-CE2 4.42Å; F136-F140 VanDerWaalsContact O-CB 3.25Å; F136-F140 WeakPolarHBondContact O-CB 3.05Å; F136-F140 PolarHBondContact O-N 3.09Å; F137-F140 PolarHBondContact O-N 2.81Å; E138-F140 PolarHBondContact O-N 3.28Å; F140-L142 PolarHBondContact O-N 3.36Å; F140-T143 PolarHBondContact O-N 3.5Å; F140-F144 HydrophobicContact CE1-CB 4.45Å; F140-F144 HydrophobicContact CZ-CD2 4.26Å; F140-F144 WeakPolarHBondContact O-CB 3.47Å; F140-F144 PolarHBondContact O-N 3.36Å |
| 141 | I | 94.8 | Very high | 91 | Very high | 72 Ų | 72 | 52.1 Ų | 52.1 | 37% | 0.369 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -65.6 | -43 | -176.1 | -68.5 | -64.9 | 0 | 0 | 0 | 111 | F137 E138 F145 | F137-I141 VanDerWaalsContact O-CB 3.29Å; F137-I141 WeakPolarHBondContact O-CB 3.41Å; F137-I141 WeakPolarHBondContact O-CG1 3.29Å; F137-I141 PolarHBondContact O-N 3.22Å; E138-I141 PolarHBondContact O-N 3.22Å; I141-F145 HydrophobicContact CD1-CE2 4.47Å; I141-F145 HydrophobicContact CG2-CD2 3.77Å; I141-F145 HydrophobicContact CG2-CE2 3.98Å; I141-F145 WeakPolarHBondContact O-CD2 3.26Å; I141-F145 PolarHBondContact O-N 3.43Å; I141-F145 VanDerWaalsContact O-N 3.09Å |
| 142 | L | 93.7 | Very high | 91.5 | Very high | 8 Ų | 8 | 46.9 Ų | 46.9 | 4% | 0.042 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -59 | -48.8 | 176.1 | -81.1 | 166.1 | 0 | 0 | 0 | 111.7 | I14 L18 I95 E138 F140 A146 | I14-L142 HydrophobicContact CG2-CB 3.91Å; I14-L142 HydrophobicContact CG2-CD1 4.5Å; L18-L142 HydrophobicContact CD1-CD1 3.77Å; L18-L142 HydrophobicContact CD2-CD1 3.88Å; L18-L142 HydrophobicContact CG-CD1 4.25Å; I95-L142 HydrophobicContact CG1-CD1 4.39Å; E138-L142 HydrophobicContact CG-CD1 3.76Å; E138-L142 VanDerWaalsContact O-CB 3.26Å; E138-L142 WeakPolarHBondContact O-CB 2.87Å; E138-L142 WeakPolarHBondContact O-CD1 2.99Å; E138-L142 VanDerWaalsContact O-CG 3.31Å; E138-L142 WeakPolarHBondContact O-CG 3.13Å; E138-L142 PolarHBondContact O-N 3.32Å; F140-L142 PolarHBondContact O-N 3.36Å; L142-A146 WeakPolarHBondContact O-CB 3.29Å; L142-A146 PolarHBondContact O-N 3.47Å; L142-A146 VanDerWaalsContact O-N 3.09Å |
| 143 | T | 94.7 | Very high | 92.1 | Very high | 2 Ų | 2 | 44.2 Ų | 44.2 | 1% | 0.012 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -67.6 | -46.2 | -178.9 | -51.3 | 0 | 0 | 0 | 0 | 110.9 | T11 S31 A34 L35 A139 F140 F145 A146 E147 | T11-T143 HydrophobicContact CG2-CG2 4.35Å; S31-T143 PolarHBondContact OG-OG1 2.91Å; A34-T143 HydrophobicContact CB-CG2 4.11Å; L35-T143 HydrophobicContact CD1-CG2 4.35Å; L35-T143 HydrophobicContact CD2-CG2 3.88Å; L35-T143 HydrophobicContact CG-CG2 3.86Å; A139-T143 VanDerWaalsContact O-CB 3.26Å; A139-T143 WeakPolarHBondContact O-CB 3.35Å; A139-T143 PolarHBondContact O-N 3.24Å; A139-T143 PolarHBondContact O-OG1 2.84Å; F140-T143 PolarHBondContact O-N 3.5Å; T143-F145 PolarHBondContact O-N 3.09Å; T143-A146 PolarHBondContact O-N 2.73Å; T143-E147 PolarHBondContact O-N 2.84Å |
| 144 | F | 94.8 | Very high | 92.5 | Very high | 32 Ų | 32 | 46 Ų | 46 | 14% | 0.14 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -58.9 | -48.2 | -177.8 | -176.1 | -93.6 | 0 | 0 | 0 | 112.4 | A34 V37 M38 F140 W148 | A34-F144 HydrophobicContact CB-CB 3.96Å; V37-F144 HydrophobicContact CG1-CE2 4Å; M38-F144 HydrophobicContact CG-CD2 3.64Å; M38-F144 HydrophobicContact CG-CE2 3.85Å; M38-F144 HydrophobicContact CG-CG 4.5Å; M38-F144 HydrophobicContact SD-CD2 3.73Å; M38-F144 HydrophobicContact SD-CE2 3.43Å; M38-F144 WeakPolarHBondContact SD-CE2 3.48Å; M38-F144 HydrophobicContact SD-CG 4.45Å; M38-F144 HydrophobicContact SD-CZ 3.94Å; F140-F144 HydrophobicContact CE1-CB 4.45Å; F140-F144 HydrophobicContact CZ-CD2 4.26Å; F140-F144 WeakPolarHBondContact O-CB 3.47Å; F140-F144 PolarHBondContact O-N 3.36Å; F144-W148 HydrophobicContact CD1-CE3 4.17Å; F144-W148 HydrophobicContact CE1-CD2 4.41Å; F144-W148 AromaticContact CE1-CE3 3.4Å; F144-W148 HydrophobicContact CE1-CE3 3.4Å; F144-W148 AromaticContact CE1-CZ3 3.58Å; F144-W148 HydrophobicContact CE1-CZ3 3.58Å; F144-W148 HydrophobicContact CE2-CE3 4.26Å; F144-W148 HydrophobicContact CE2-CZ3 4.11Å; F144-W148 AromaticContact CZ-CE3 3.48Å; F144-W148 HydrophobicContact CZ-CE3 3.48Å; F144-W148 VanDerWaalsContact CZ-CE3 3.48Å; F144-W148 HydrophobicContact CZ-CH2 4.37Å; F144-W148 AromaticContact CZ-CZ3 3.24Å; F144-W148 HydrophobicContact CZ-CZ3 3.24Å; F144-W148 WeakPolarHBondContact O-CB 3.31Å; F144-W148 PolarHBondContact O-N 3.49Å; F144-W148 VanDerWaalsContact O-N 3.09Å |
| 145 | F | 93.9 | Very high | 92.7 | Very high | 129 Ų | 129 | 43 Ų | 43 | 57% | 0.566 | 21% | 0.212 | S | C | * | . | H | α-helix | trans | -75 | -27 | 179.2 | -80.4 | -68.7 | 0 | 0 | 0 | 113.4 | I141 T143 W148 | I141-F145 HydrophobicContact CD1-CE2 4.47Å; I141-F145 HydrophobicContact CG2-CD2 3.77Å; I141-F145 HydrophobicContact CG2-CE2 3.98Å; I141-F145 WeakPolarHBondContact O-CD2 3.26Å; I141-F145 PolarHBondContact O-N 3.43Å; I141-F145 VanDerWaalsContact O-N 3.09Å; T143-F145 PolarHBondContact O-N 3.09Å; F145-W148 PolarHBondContact O-N 3.49Å |
| 146 | A | 92 | Very high | 92.9 | Very high | 35 Ų | 35 | 43 Ų | 43 | 29% | 0.289 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -70.9 | -34.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | T11 I14 L142 T143 | T11-A146 HydrophobicContact CG2-CB 3.4Å; I14-A146 HydrophobicContact CD1-CB 3.7Å; L142-A146 WeakPolarHBondContact O-CB 3.29Å; L142-A146 PolarHBondContact O-N 3.47Å; L142-A146 VanDerWaalsContact O-N 3.09Å; T143-A146 PolarHBondContact O-N 2.73Å |
| 147 | E | 91.8 | Very high | 92.9 | Very high | 3 Ų | 3 | 42.6 Ų | 42.6 | 1% | 0.014 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -81.9 | -12.8 | 172.3 | -72.8 | -51.7 | 133.6 | 0 | 0 | 114 | T11 L35 M38 T143 G149 D150 S152 | T11-E147 WeakPolarHBondContact CB-OE1 3.22Å; T11-E147 HydrophobicContact CG2-CG 3.85Å; T11-E147 WeakPolarHBondContact CG2-OE1 3.24Å; T11-E147 PolarHBondContact OG1-OE1 3.39Å; L35-E147 HydrophobicContact CD2-CG 3.46Å; L35-E147 VanDerWaalsContact CD2-CG 3.46Å; M38-E147 HydrophobicContact CE-CB 4.15Å; T143-E147 PolarHBondContact O-N 2.84Å; E147-G149 PolarHBondContact O-N 3.48Å; E147-D150 PolarHBondContact O-N 2.92Å; E147-S152 PolarHBondContact OE2-OG 3.44Å |
| 148 | W | 90.8 | Very high | 92.9 | Very high | 138 Ų | 138 | 36.8 Ų | 36.8 | 52% | 0.523 | 19% | 0.187 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | 113 | -172.7 | -168.4 | -83.1 | 0 | 0 | 0 | 111.2 | M38 F144 F145 D150 | M38-W148 HydrophobicContact CE-CB 4.38Å; M38-W148 HydrophobicContact CE-CD2 4.39Å; M38-W148 HydrophobicContact CE-CE3 3.79Å; M38-W148 HydrophobicContact CE-CZ3 4.45Å; M38-W148 HydrophobicContact SD-CE3 3.51Å; M38-W148 VanDerWaalsContact SD-CE3 3.51Å; M38-W148 HydrophobicContact SD-CZ3 3.78Å; F144-W148 HydrophobicContact CD1-CE3 4.17Å; F144-W148 HydrophobicContact CE1-CD2 4.41Å; F144-W148 AromaticContact CE1-CE3 3.4Å; F144-W148 HydrophobicContact CE1-CE3 3.4Å; F144-W148 AromaticContact CE1-CZ3 3.58Å; F144-W148 HydrophobicContact CE1-CZ3 3.58Å; F144-W148 HydrophobicContact CE2-CE3 4.26Å; F144-W148 HydrophobicContact CE2-CZ3 4.11Å; F144-W148 AromaticContact CZ-CE3 3.48Å; F144-W148 HydrophobicContact CZ-CE3 3.48Å; F144-W148 VanDerWaalsContact CZ-CE3 3.48Å; F144-W148 HydrophobicContact CZ-CH2 4.37Å; F144-W148 AromaticContact CZ-CZ3 3.24Å; F144-W148 HydrophobicContact CZ-CZ3 3.24Å; F144-W148 WeakPolarHBondContact O-CB 3.31Å; F144-W148 PolarHBondContact O-N 3.49Å; F144-W148 VanDerWaalsContact O-N 3.09Å; F145-W148 PolarHBondContact O-N 3.49Å; W148-D150 VanDerWaalsContact C-N 3.32Å |
| 149 | G | 89 | Confident | 93 | Very high | 46 Ų | 46 | 36.5 Ų | 36.5 | 47% | 0.474 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 78.9 | 10.9 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | E147 Q153 | E147-G149 PolarHBondContact O-N 3.48Å; G149-Q153 VanDerWaalsContact CA-OE1 3.25Å |
| 150 | D | 89.3 | Confident | 93 | Very high | 39 Ų | 39 | 36.5 Ų | 36.5 | 21% | 0.209 | 19% | 0.186 | C | C | . | . | trans | -78.6 | 169.1 | -180 | -168.1 | 46.1 | 0 | 0 | 0 | 113.1 | E147 W148 S152 Q153 I154 | E147-D150 PolarHBondContact O-N 2.92Å; W148-D150 VanDerWaalsContact C-N 3.32Å; D150-S152 VanDerWaalsContact C-N 3.26Å; D150-S152 PolarHBondContact O-N 3.46Å; D150-Q153 VanDerWaalsContact O-CB 3.31Å; D150-Q153 WeakPolarHBondContact O-CB 3.43Å; D150-Q153 PolarHBondContact O-N 3.29Å; D150-Q153 VanDerWaalsContact O-N 3.09Å; D150-I154 PolarHBondContact O-N 2.92Å; D150-I154 VanDerWaalsContact O-N 3.14Å | ||
| 151 | R | 88.7 | Confident | 92.8 | Very high | 47 Ų | 47 | 35.3 Ų | 35.3 | 18% | 0.177 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -52.9 | -40.6 | 178.9 | -60.9 | 173.2 | -68.3 | 172 | -2.3 | 112.3 | D9 F68 M72 Q153 T155 | D9-R151 IonicContact OD1-NH2 3.92Å; D9-R151 IonicContact OD2-CZ 2.79Å; D9-R151 IonicContact OD2-NH2 2.76Å; D9-R151 PolarHBondContact OD2-NH2 2.98Å; F68-R151 HydrophobicContact CD1-CG 4.22Å; F68-R151 HydrophobicContact CE1-CG 4.09Å; F68-R151 HydrophobicContact CE2-CB 4.35Å; F68-R151 HydrophobicContact CZ-CB 4.45Å; F68-R151 HydrophobicContact CZ-CG 4.28Å; M72-R151 VanDerWaalsContact CG-NH1 3.3Å; R151-Q153 VanDerWaalsContact C-N 3.31Å; R151-Q153 PolarHBondContact O-N 3.13Å; R151-T155 WeakPolarHBondContact O-CB 3.15Å; R151-T155 PolarHBondContact O-N 2.8Å; R151-T155 PolarHBondContact O-OG1 3.32Å |
| 152 | S | 91.2 | Very high | 92.5 | Very high | 5 Ų | 5 | 33.7 Ų | 33.7 | 4% | 0.035 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -58.8 | -43.2 | 177.6 | 68.4 | 0 | 0 | 0 | 0 | 111.2 | E6 E147 D150 T155 T156 | E6-S152 WeakPolarHBondContact OE1-CB 3.4Å; E6-S152 PolarHBondContact OE1-OG 2.83Å; E147-S152 PolarHBondContact OE2-OG 3.44Å; D150-S152 VanDerWaalsContact C-N 3.26Å; D150-S152 PolarHBondContact O-N 3.46Å; S152-T155 PolarHBondContact O-N 2.96Å; S152-T156 WeakPolarHBondContact O-CB 3.47Å; S152-T156 PolarHBondContact O-N 2.89Å; S152-T156 PolarHBondContact O-OG1 3.46Å |
| 153 | Q | 93.3 | Very high | 92.3 | Very high | 18 Ų | 18 | 38.4 Ų | 38.4 | 8% | 0.084 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -64.8 | -52.3 | 179.5 | -158 | -172.4 | 17 | 0 | 0 | 111 | M38 S42 G149 D150 R151 T155 T156 I157 | M38-Q153 HydrophobicContact CE-CG 4.01Å; S42-Q153 WeakPolarHBondContact OG-CG 3.42Å; G149-Q153 VanDerWaalsContact CA-OE1 3.25Å; D150-Q153 VanDerWaalsContact O-CB 3.31Å; D150-Q153 WeakPolarHBondContact O-CB 3.43Å; D150-Q153 PolarHBondContact O-N 3.29Å; D150-Q153 VanDerWaalsContact O-N 3.09Å; R151-Q153 VanDerWaalsContact C-N 3.31Å; R151-Q153 PolarHBondContact O-N 3.13Å; Q153-T155 VanDerWaalsContact C-N 3.3Å; Q153-T155 PolarHBondContact O-N 3.03Å; Q153-T156 WeakPolarHBondContact O-CB 3.36Å; Q153-T156 PolarHBondContact O-N 3.25Å; Q153-T156 VanDerWaalsContact O-N 3.13Å; Q153-I157 WeakPolarHBondContact O-CG1 3.48Å; Q153-I157 PolarHBondContact O-N 2.98Å |
| 154 | I | 93.3 | Very high | 92.1 | Very high | 59 Ų | 59 | 41.8 Ų | 41.8 | 30% | 0.303 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -60.3 | -42.9 | 178.9 | -64.4 | 170 | 0 | 0 | 0 | 110.4 | L64 F68 D150 T156 I157 V158 | L64-I154 HydrophobicContact CD1-CG2 3.83Å; F68-I154 HydrophobicContact CE2-CB 4.07Å; F68-I154 HydrophobicContact CE2-CG2 3.84Å; F68-I154 HydrophobicContact CZ-CB 4.12Å; F68-I154 HydrophobicContact CZ-CD1 3.92Å; F68-I154 HydrophobicContact CZ-CG2 3.95Å; D150-I154 PolarHBondContact O-N 2.92Å; D150-I154 VanDerWaalsContact O-N 3.14Å; I154-T156 VanDerWaalsContact C-N 3.31Å; I154-T156 PolarHBondContact O-N 2.87Å; I154-I157 PolarHBondContact O-N 2.95Å; I154-V158 HydrophobicContact CG2-CG2 4.46Å; I154-V158 WeakPolarHBondContact O-CB 3.44Å; I154-V158 VanDerWaalsContact O-CG2 3.25Å; I154-V158 WeakPolarHBondContact O-CG2 3.49Å; I154-V158 PolarHBondContact O-N 2.87Å |
| 155 | T | 93.2 | Very high | 92.1 | Very high | 3 Ų | 3 | 41.9 Ų | 41.9 | 2% | 0.018 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -60.7 | -41.2 | 176.8 | -62.8 | 0 | 0 | 0 | 0 | 111.6 | M1 F65 R151 S152 Q153 V158 L159 F207 | M1-T155 HydrophobicContact CB-CG2 4.09Å; M1-T155 HydrophobicContact SD-CG2 3.74Å; F65-T155 HydrophobicContact CE1-CG2 3.76Å; F65-T155 HydrophobicContact CZ-CG2 4.32Å; R151-T155 WeakPolarHBondContact O-CB 3.15Å; R151-T155 PolarHBondContact O-N 2.8Å; R151-T155 PolarHBondContact O-OG1 3.32Å; S152-T155 PolarHBondContact O-N 2.96Å; Q153-T155 VanDerWaalsContact C-N 3.3Å; Q153-T155 PolarHBondContact O-N 3.03Å; T155-V158 PolarHBondContact O-N 3.43Å; T155-L159 HydrophobicContact CG2-CD1 3.69Å; T155-L159 WeakPolarHBondContact O-CB 3.23Å; T155-L159 PolarHBondContact O-N 3.38Å; T155-F207 HydrophobicContact CG2-CE1 4.18Å; T155-F207 HydrophobicContact CG2-CZ 4.3Å; T155-F207 WeakPolarHBondContact OG1-CE1 3.45Å; T155-F207 WeakPolarHBondContact OG1-CZ 3.48Å |
| 156 | T | 95 | Very high | 92.2 | Very high | 4 Ų | 4 | 40.1 Ų | 40.1 | 3% | 0.025 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -66.4 | -43 | 178 | -59.1 | 0 | 0 | 0 | 0 | 111.9 | T39 S152 Q153 I154 V158 L159 A160 V168 | T39-T156 HydrophobicContact CG2-CG2 4.31Å; S152-T156 WeakPolarHBondContact O-CB 3.47Å; S152-T156 PolarHBondContact O-N 2.89Å; S152-T156 PolarHBondContact O-OG1 3.46Å; Q153-T156 WeakPolarHBondContact O-CB 3.36Å; Q153-T156 PolarHBondContact O-N 3.25Å; Q153-T156 VanDerWaalsContact O-N 3.13Å; I154-T156 VanDerWaalsContact C-N 3.31Å; I154-T156 PolarHBondContact O-N 2.87Å; T156-V158 VanDerWaalsContact C-N 3.33Å; T156-V158 PolarHBondContact O-N 3.3Å; T156-L159 PolarHBondContact O-N 3.41Å; T156-A160 VanDerWaalsContact O-CB 3.28Å; T156-A160 WeakPolarHBondContact O-CB 3.22Å; T156-A160 PolarHBondContact O-N 2.87Å; T156-V168 HydrophobicContact CG2-CG1 3.81Å |
| 157 | I | 94.9 | Very high | 92.3 | Very high | 42 Ų | 42 | 39.9 Ų | 39.9 | 22% | 0.215 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -57.7 | -49.3 | 174.8 | -65.4 | 167.7 | 0 | 0 | 0 | 110 | S42 F45 G46 Q153 I154 A160 A161 | S42-I157 WeakPolarHBondContact O-CG1 3.35Å; F45-I157 HydrophobicContact CB-CD1 4.32Å; F45-I157 HydrophobicContact CB-CG1 4.13Å; F45-I157 HydrophobicContact CB-CG2 4.32Å; G46-I157 WeakPolarHBondContact CA-O 3.37Å; Q153-I157 WeakPolarHBondContact O-CG1 3.48Å; Q153-I157 PolarHBondContact O-N 2.98Å; I154-I157 PolarHBondContact O-N 2.95Å; I157-A160 PolarHBondContact O-N 2.94Å; I157-A161 WeakPolarHBondContact O-CB 3.3Å; I157-A161 PolarHBondContact O-N 3.35Å |
| 158 | V | 93.5 | Very high | 92.5 | Very high | 9 Ų | 9 | 40.6 Ų | 40.6 | 6% | 0.055 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -64.3 | -43.2 | -178.3 | 168.7 | 0 | 0 | 0 | 0 | 112.1 | L64 F65 I154 T155 T156 A161 R162 | L64-V158 HydrophobicContact CD1-CG2 3.57Å; F65-V158 HydrophobicContact CE1-CG1 4.16Å; F65-V158 HydrophobicContact CE2-CG1 4.26Å; F65-V158 HydrophobicContact CZ-CB 4.43Å; F65-V158 HydrophobicContact CZ-CG1 3.73Å; I154-V158 HydrophobicContact CG2-CG2 4.46Å; I154-V158 WeakPolarHBondContact O-CB 3.44Å; I154-V158 VanDerWaalsContact O-CG2 3.25Å; I154-V158 WeakPolarHBondContact O-CG2 3.49Å; I154-V158 PolarHBondContact O-N 2.87Å; T155-V158 PolarHBondContact O-N 3.43Å; T156-V158 VanDerWaalsContact C-N 3.33Å; T156-V158 PolarHBondContact O-N 3.3Å; V158-A161 PolarHBondContact O-N 3.01Å; V158-R162 PolarHBondContact O-N 3.42Å |
| 159 | L | 93.4 | Very high | 92.8 | Very high | 37 Ų | 37 | 35.9 Ų | 35.9 | 19% | 0.194 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -63.7 | -46.2 | 175.2 | -87.7 | 155.9 | 0 | 0 | 0 | 111 | M1 F65 T155 T156 A161 R162 E163 V168 | M1-L159 HydrophobicContact SD-CD1 3.96Å; F65-L159 HydrophobicContact CZ-CG 4.24Å; T155-L159 HydrophobicContact CG2-CD1 3.69Å; T155-L159 WeakPolarHBondContact O-CB 3.23Å; T155-L159 PolarHBondContact O-N 3.38Å; T156-L159 PolarHBondContact O-N 3.41Å; L159-A161 PolarHBondContact O-N 3.17Å; L159-R162 PolarHBondContact O-N 2.92Å; L159-R162 VanDerWaalsContact O-N 3.07Å; L159-E163 HydrophobicContact CD2-CG 4.11Å; L159-E163 WeakPolarHBondContact O-CA 3.48Å; L159-E163 VanDerWaalsContact O-CB 3.31Å; L159-E163 WeakPolarHBondContact O-CB 3.29Å; L159-E163 PolarHBondContact O-N 3.23Å; L159-V168 HydrophobicContact CB-CG1 4.03Å; L159-V168 HydrophobicContact CB-CG2 3.87Å |
| 160 | A | 94.9 | Very high | 93.1 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -67.4 | -20.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | A43 Q50 T156 I157 V165 V168 | A43-A160 HydrophobicContact CB-CB 4.21Å; Q50-A160 PolarHBondContact NE2-O 3.41Å; Q50-A160 VanDerWaalsContact NE2-O 3.08Å; T156-A160 VanDerWaalsContact O-CB 3.28Å; T156-A160 WeakPolarHBondContact O-CB 3.22Å; T156-A160 PolarHBondContact O-N 2.87Å; I157-A160 PolarHBondContact O-N 2.94Å; A160-V165 HydrophobicContact CB-CG2 4.45Å; A160-V168 HydrophobicContact CB-CB 4.43Å; A160-V168 HydrophobicContact CB-CG1 4.22Å |
| 161 | A | 92.9 | Very high | 93.4 | Very high | 13 Ų | 13 | 36.7 Ų | 36.7 | 11% | 0.107 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -77.1 | -21.5 | 172.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | G46 V49 V57 I157 V158 L159 | G46-A161 VanDerWaalsContact O-CA 3.3Å; G46-A161 WeakPolarHBondContact O-CA 3.39Å; G46-A161 WeakPolarHBondContact O-CB 3.43Å; V49-A161 HydrophobicContact CB-CB 3.96Å; V49-A161 HydrophobicContact CG1-CB 3.73Å; V57-A161 HydrophobicContact CG1-CB 3.72Å; I157-A161 WeakPolarHBondContact O-CB 3.3Å; I157-A161 PolarHBondContact O-N 3.35Å; V158-A161 PolarHBondContact O-N 3.01Å; L159-A161 PolarHBondContact O-N 3.17Å |
| 162 | R | 88 | Confident | 93.7 | Very high | 38 Ų | 38 | 34.6 Ų | 34.6 | 14% | 0.143 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -114.5 | -29.3 | -174.2 | -65 | 177.2 | 62.9 | -148.7 | -6.3 | 113.8 | V57 S61 V158 L159 S214 D218 | V57-R162 HydrophobicContact CB-CG 4.43Å; V57-R162 HydrophobicContact CG1-CG 3.49Å; V57-R162 VanDerWaalsContact CG1-CG 3.49Å; S61-R162 WeakPolarHBondContact OG-CD 3.5Å; S61-R162 PolarHBondContact OG-NE 3.32Å; S61-R162 PolarHBondContact OG-NH1 2.86Å; V158-R162 PolarHBondContact O-N 3.42Å; L159-R162 PolarHBondContact O-N 2.92Å; L159-R162 VanDerWaalsContact O-N 3.07Å; R162-S214 VanDerWaalsContact NH1-CB 3.31Å; R162-S214 PolarHBondContact NH1-OG 3.5Å; R162-S214 PolarHBondContact NH2-O 3.13Å; R162-D218 IonicContact NH2-OD2 2.97Å |
| 163 | E | 89.1 | Confident | 94 | Very high | 107 Ų | 107 | 36.1 Ų | 36.1 | 50% | 0.5 | 22% | 0.224 | S | C | . | . | S | Bend | trans | -115.9 | 173.3 | -174.3 | -59.5 | -61.6 | 162.4 | 0 | 0 | 111.1 | L159 V165 V168 | L159-E163 HydrophobicContact CD2-CG 4.11Å; L159-E163 WeakPolarHBondContact O-CA 3.48Å; L159-E163 VanDerWaalsContact O-CB 3.31Å; L159-E163 WeakPolarHBondContact O-CB 3.29Å; L159-E163 PolarHBondContact O-N 3.23Å; E163-V165 PolarHBondContact O-N 2.98Å; E163-V165 VanDerWaalsContact O-N 3.16Å; E163-V168 HydrophobicContact CB-CG2 4.06Å |
| 164 | S | 92.1 | Very high | 94.1 | Very high | 73 Ų | 73 | 40.7 Ų | 40.7 | 51% | 0.51 | 25% | 0.248 | S | C | . | . | trans | -61.2 | 119.5 | 176 | 63.1 | 0 | 0 | 0 | 0 | 111.3 | S166 G167 V168 | S164-S166 PolarHBondContact O-N 2.86Å; S164-G167 WeakPolarHBondContact O-CA 3.19Å; S164-G167 PolarHBondContact O-N 2.87Å; S164-G167 PolarHBondContact OG-N 2.72Å; S164-V168 WeakPolarHBondContact O-CG2 3.48Å; S164-V168 PolarHBondContact O-N 2.91Å | ||
| 165 | V | 94.4 | Very high | 94.2 | Very high | 35 Ų | 35 | 38.1 Ų | 38.1 | 21% | 0.212 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -52.5 | -41.8 | 179.3 | 178.2 | 0 | 0 | 0 | 0 | 111.7 | A43 Y47 A160 E163 V168 I169 | A43-V165 HydrophobicContact CB-CG1 4.04Å; Y47-V165 HydrophobicContact CD2-CG2 4.05Å; A160-V165 HydrophobicContact CB-CG2 4.45Å; E163-V165 PolarHBondContact O-N 2.98Å; E163-V165 VanDerWaalsContact O-N 3.16Å; V165-V168 PolarHBondContact O-N 3.47Å; V165-I169 HydrophobicContact CG1-CD1 3.85Å; V165-I169 HydrophobicContact CG1-CG1 4.49Å; V165-I169 VanDerWaalsContact O-CG1 3.3Å; V165-I169 WeakPolarHBondContact O-CG1 3.31Å; V165-I169 PolarHBondContact O-N 3.3Å |
| 166 | S | 94.8 | Very high | 94.3 | Very high | 91 Ų | 91 | 38.3 Ų | 38.3 | 64% | 0.636 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -65 | -39.3 | 177.4 | 54.2 | 0 | 0 | 0 | 0 | 113.2 | S164 S170 | S164-S166 PolarHBondContact O-N 2.86Å; S166-S170 WeakPolarHBondContact O-CB 3.35Å; S166-S170 PolarHBondContact O-N 2.64Å; S166-S170 PolarHBondContact O-OG 3.14Å |
| 167 | G | 95.4 | Very high | 94.4 | Very high | 31 Ų | 31 | 40 Ų | 40 | 32% | 0.32 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -65.3 | -40.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | S164 S170 G171 | S164-G167 WeakPolarHBondContact O-CA 3.19Å; S164-G167 PolarHBondContact O-N 2.87Å; S164-G167 PolarHBondContact OG-N 2.72Å; G167-S170 WeakPolarHBondContact CA-OG 2.97Å; G167-S170 PolarHBondContact O-OG 3.09Å; G167-S170 VanDerWaalsContact O-OG 3.13Å; G167-G171 PolarHBondContact O-N 3.04Å |
| 168 | V | 95.4 | Very high | 94.3 | Very high | 17 Ų | 17 | 42.9 Ų | 42.9 | 10% | 0.103 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -66.9 | -45.3 | 177.4 | 177.4 | 0 | 0 | 0 | 0 | 111.2 | T156 L159 A160 E163 S164 V165 G172 | T156-V168 HydrophobicContact CG2-CG1 3.81Å; L159-V168 HydrophobicContact CB-CG1 4.03Å; L159-V168 HydrophobicContact CB-CG2 3.87Å; A160-V168 HydrophobicContact CB-CB 4.43Å; A160-V168 HydrophobicContact CB-CG1 4.22Å; E163-V168 HydrophobicContact CB-CG2 4.06Å; S164-V168 WeakPolarHBondContact O-CG2 3.48Å; S164-V168 PolarHBondContact O-N 2.91Å; V165-V168 PolarHBondContact O-N 3.47Å; V168-G172 WeakPolarHBondContact O-CA 3.43Å; V168-G172 PolarHBondContact O-N 3.42Å |
| 169 | I | 96.3 | Very high | 94.4 | Very high | 40 Ų | 40 | 42.6 Ų | 42.6 | 21% | 0.205 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -62.7 | -50.6 | 177.5 | -69 | 169.6 | 0 | 0 | 0 | 110.6 | T39 A43 V165 G172 I173 | T39-I169 HydrophobicContact CG2-CG1 4.46Å; A43-I169 HydrophobicContact CB-CD1 3.69Å; A43-I169 HydrophobicContact CB-CG1 3.44Å; A43-I169 VanDerWaalsContact CB-CG1 3.44Å; V165-I169 HydrophobicContact CG1-CD1 3.85Å; V165-I169 HydrophobicContact CG1-CG1 4.49Å; V165-I169 VanDerWaalsContact O-CG1 3.3Å; V165-I169 WeakPolarHBondContact O-CG1 3.31Å; V165-I169 PolarHBondContact O-N 3.3Å; I169-G172 PolarHBondContact O-N 2.79Å; I169-I173 HydrophobicContact CG2-CD1 3.49Å; I169-I173 VanDerWaalsContact CG2-CD1 3.49Å; I169-I173 HydrophobicContact CG2-CG1 4.38Å; I169-I173 WeakPolarHBondContact O-CB 3.47Å; I169-I173 WeakPolarHBondContact O-CD1 3.2Å; I169-I173 VanDerWaalsContact O-CG1 3.23Å; I169-I173 WeakPolarHBondContact O-CG1 3.37Å; I169-I173 PolarHBondContact O-N 3.42Å |
| 170 | S | 96.5 | Very high | 94.4 | Very high | 61 Ų | 61 | 41.2 Ų | 41.2 | 43% | 0.427 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -63.7 | -46.6 | -178.5 | 55.3 | 0 | 0 | 0 | 0 | 112.3 | S166 G167 G172 L174 | S166-S170 WeakPolarHBondContact O-CB 3.35Å; S166-S170 PolarHBondContact O-N 2.64Å; S166-S170 PolarHBondContact O-OG 3.14Å; G167-S170 WeakPolarHBondContact CA-OG 2.97Å; G167-S170 PolarHBondContact O-OG 3.09Å; G167-S170 VanDerWaalsContact O-OG 3.13Å; S170-G172 VanDerWaalsContact C-N 3.35Å; S170-G172 PolarHBondContact O-N 3.42Å; S170-L174 WeakPolarHBondContact O-CB 3.31Å; S170-L174 VanDerWaalsContact O-CG 3.24Å; S170-L174 WeakPolarHBondContact O-CG 3.46Å; S170-L174 PolarHBondContact O-N 2.89Å |
| 171 | G | 95.5 | Very high | 94.4 | Very high | 40 Ų | 40 | 42 Ų | 42 | 41% | 0.412 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -64.1 | -38.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113 | G167 G175 | G167-G171 PolarHBondContact O-N 3.04Å; G171-G175 PolarHBondContact O-N 3.05Å |
| 172 | G | 95.4 | Very high | 94.4 | Very high | 3 Ų | 3 | 45.8 Ų | 45.8 | 3% | 0.031 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -64.5 | -52 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | V168 I169 S170 L174 G175 H176 | V168-G172 WeakPolarHBondContact O-CA 3.43Å; V168-G172 PolarHBondContact O-N 3.42Å; I169-G172 PolarHBondContact O-N 2.79Å; S170-G172 VanDerWaalsContact C-N 3.35Å; S170-G172 PolarHBondContact O-N 3.42Å; G172-L174 VanDerWaalsContact C-N 3.32Å; G172-L174 PolarHBondContact O-N 3.38Å; G172-G175 PolarHBondContact O-N 2.65Å; G172-G175 VanDerWaalsContact O-N 3.14Å; G172-H176 PolarHBondContact O-CD2 2.95Å; G172-H176 PolarHBondContact O-N 3.13Å |
| 173 | I | 96.1 | Very high | 94.7 | Very high | 38 Ų | 38 | 44 Ų | 44 | 20% | 0.195 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -59.3 | -43.8 | 177.3 | -66.2 | 161.9 | 0 | 0 | 0 | 110.9 | F36 T39 I169 G175 H176 C177 | F36-I173 HydrophobicContact CD2-CD1 3.36Å; F36-I173 HydrophobicContact CD2-CG1 3.87Å; F36-I173 HydrophobicContact CE2-CD1 3.41Å; F36-I173 VanDerWaalsContact CE2-CD1 3.41Å; F36-I173 HydrophobicContact CE2-CG1 4.41Å; T39-I173 HydrophobicContact CG2-CG1 4.45Å; I169-I173 HydrophobicContact CG2-CD1 3.49Å; I169-I173 VanDerWaalsContact CG2-CD1 3.49Å; I169-I173 HydrophobicContact CG2-CG1 4.38Å; I169-I173 WeakPolarHBondContact O-CB 3.47Å; I169-I173 WeakPolarHBondContact O-CD1 3.2Å; I169-I173 VanDerWaalsContact O-CG1 3.23Å; I169-I173 WeakPolarHBondContact O-CG1 3.37Å; I169-I173 PolarHBondContact O-N 3.42Å; I173-G175 VanDerWaalsContact C-N 3.34Å; I173-G175 PolarHBondContact O-N 2.87Å; I173-H176 PolarHBondContact O-N 3.25Å; I173-C177 WeakPolarHBondContact O-CB 3.3Å; I173-C177 PolarHBondContact O-N 3.33Å; I173-C177 PolarHBondContact O-SG 3.2Å |
| 174 | L | 96.6 | Very high | 94.9 | Very high | 113 Ų | 113 | 39.1 Ų | 39.1 | 59% | 0.592 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -60.6 | -44.1 | 176.7 | -74.2 | 172.4 | 0 | 0 | 0 | 111.7 | S170 G172 C177 L178 | S170-L174 WeakPolarHBondContact O-CB 3.31Å; S170-L174 VanDerWaalsContact O-CG 3.24Å; S170-L174 WeakPolarHBondContact O-CG 3.46Å; S170-L174 PolarHBondContact O-N 2.89Å; G172-L174 VanDerWaalsContact C-N 3.32Å; G172-L174 PolarHBondContact O-N 3.38Å; L174-C177 PolarHBondContact O-N 3.46Å; L174-L178 WeakPolarHBondContact O-CG 3.21Å; L174-L178 PolarHBondContact O-N 3.09Å |
| 175 | G | 95.1 | Very high | 94.8 | Very high | 5 Ų | 5 | 40.8 Ų | 40.8 | 5% | 0.052 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -59.5 | -48.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | G171 G172 I173 L178 C179 | G171-G175 PolarHBondContact O-N 3.05Å; G172-G175 PolarHBondContact O-N 2.65Å; G172-G175 VanDerWaalsContact O-N 3.14Å; I173-G175 VanDerWaalsContact C-N 3.34Å; I173-G175 PolarHBondContact O-N 2.87Å; G175-L178 PolarHBondContact O-N 3.4Å; G175-C179 PolarHBondContact O-N 3.16Å; G175-C179 PolarHBondContact O-SG 2.89Å |
| 176 | H | 95.6 | Very high | 94.4 | Very high | 7 Ų | 7 | 39.6 Ų | 39.6 | 3% | 0.032 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -61.9 | -45.9 | 177 | -71 | -56.7 | 0 | 0 | 0 | 111.9 | E6 I32 L35 T39 G172 I173 L178 C179 T180 | E6-H176 IonicContact OE1-CE1 2.73Å; E6-H176 PolarHBondContact OE1-CE1 3.4Å; E6-H176 VanDerWaalsContact OE1-CE1 3.28Å; E6-H176 IonicContact OE1-ND1 3.35Å; E6-H176 IonicContact OE2-CE1 3.81Å; E6-H176 IonicContact OE2-ND1 3.74Å; E6-H176 PolarHBondContact OE2-ND1 3.49Å; I32-H176 HydrophobicContact CD1-CB 4.45Å; L35-H176 HydrophobicContact CB-CB 4.07Å; L35-H176 HydrophobicContact CD1-CB 3.74Å; L35-H176 HydrophobicContact CG-CB 4.44Å; T39-H176 PolarHBondContact OG1-CD2 3.39Å; T39-H176 PolarHBondContact OG1-NE2 2.99Å; G172-H176 PolarHBondContact O-CD2 2.95Å; G172-H176 PolarHBondContact O-N 3.13Å; I173-H176 PolarHBondContact O-N 3.25Å; H176-L178 VanDerWaalsContact C-N 3.27Å; H176-L178 PolarHBondContact O-N 3.5Å; H176-C179 PolarHBondContact O-N 2.93Å; H176-T180 WeakPolarHBondContact O-CB 3.43Å; H176-T180 PolarHBondContact O-N 3.37Å; H176-T180 PolarHBondContact O-OG1 2.89Å |
| 177 | C | 96 | Very high | 93.6 | Very high | 40 Ų | 40 | 35.8 Ų | 35.8 | 27% | 0.27 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -54.2 | -42.5 | 174.8 | -77.2 | 0 | 0 | 0 | 0 | 112.5 | I32 I173 L174 G181 | I32-C177 HydrophobicContact CD1-CB 4.43Å; I173-C177 WeakPolarHBondContact O-CB 3.3Å; I173-C177 PolarHBondContact O-N 3.33Å; I173-C177 PolarHBondContact O-SG 3.2Å; L174-C177 PolarHBondContact O-N 3.46Å; C177-G181 WeakPolarHBondContact O-CA 3.41Å; C177-G181 PolarHBondContact O-N 3.4Å |
| 178 | L | 94.6 | Very high | 92.7 | Very high | 103 Ų | 103 | 40.8 Ų | 40.8 | 54% | 0.539 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -67.4 | -50.8 | 177.1 | -70.8 | 170.4 | 0 | 0 | 0 | 111.7 | I3 L174 G175 H176 G181 L182 | I3-L178 HydrophobicContact CD1-CD1 3.95Å; L174-L178 WeakPolarHBondContact O-CG 3.21Å; L174-L178 PolarHBondContact O-N 3.09Å; G175-L178 PolarHBondContact O-N 3.4Å; H176-L178 VanDerWaalsContact C-N 3.27Å; H176-L178 PolarHBondContact O-N 3.5Å; L178-G181 PolarHBondContact O-N 3.31Å; L178-L182 WeakPolarHBondContact O-CB 3.45Å; L178-L182 VanDerWaalsContact O-CG 3.3Å; L178-L182 WeakPolarHBondContact O-CG 3.38Å; L178-L182 PolarHBondContact O-N 3.29Å |
| 179 | C | 93.8 | Very high | 91.8 | Very high | 3 Ų | 3 | 46.5 Ų | 46.5 | 2% | 0.02 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -64.2 | -49.1 | -178.2 | -70.6 | 0 | 0 | 0 | 0 | 112.4 | E6 F12 G175 H176 G181 L182 A183 | E6-C179 HydrophobicContact CB-CB 3.98Å; F12-C179 WeakPolarHBondContact CE2-O 3.24Å; G175-C179 PolarHBondContact O-N 3.16Å; G175-C179 PolarHBondContact O-SG 2.89Å; H176-C179 PolarHBondContact O-N 2.93Å; C179-G181 VanDerWaalsContact C-N 3.33Å; C179-G181 PolarHBondContact O-N 2.88Å; C179-L182 PolarHBondContact O-N 2.91Å; C179-A183 PolarHBondContact O-N 3.39Å |
| 180 | T | 94.7 | Very high | 90.8 | Very high | 8 Ų | 8 | 46.9 Ų | 46.9 | 5% | 0.049 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -65.5 | -37.7 | 176.6 | -50.5 | 0 | 0 | 0 | 0 | 111.2 | A15 F28 I32 L35 H176 A183 V184 | A15-T180 HydrophobicContact CB-CG2 4.32Å; F28-T180 HydrophobicContact CD2-CG2 3.93Å; F28-T180 HydrophobicContact CE2-CG2 4.37Å; I32-T180 HydrophobicContact CD1-CG2 4.08Å; I32-T180 HydrophobicContact CG1-CG2 4.26Å; L35-T180 VanDerWaalsContact CD1-OG1 3.26Å; L35-T180 WeakPolarHBondContact CD1-OG1 3.3Å; H176-T180 WeakPolarHBondContact O-CB 3.43Å; H176-T180 PolarHBondContact O-N 3.37Å; H176-T180 PolarHBondContact O-OG1 2.89Å; T180-A183 PolarHBondContact O-N 3.04Å; T180-V184 HydrophobicContact CG2-CG2 4.16Å; T180-V184 WeakPolarHBondContact O-CB 3.45Å; T180-V184 VanDerWaalsContact O-CG2 3.28Å; T180-V184 WeakPolarHBondContact O-CG2 3.47Å; T180-V184 PolarHBondContact O-N 3.36Å |
| 181 | G | 94.6 | Very high | 89.6 | Confident | 17 Ų | 17 | 44 Ų | 44 | 18% | 0.175 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -60 | -46.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | C177 L178 C179 V184 V185 | C177-G181 WeakPolarHBondContact O-CA 3.41Å; C177-G181 PolarHBondContact O-N 3.4Å; L178-G181 PolarHBondContact O-N 3.31Å; C179-G181 VanDerWaalsContact C-N 3.33Å; C179-G181 PolarHBondContact O-N 2.88Å; G181-V184 PolarHBondContact O-N 3.5Å; G181-V185 VanDerWaalsContact O-CB 3.3Å; G181-V185 WeakPolarHBondContact O-CB 3.46Å; G181-V185 VanDerWaalsContact O-CG2 3.27Å; G181-V185 WeakPolarHBondContact O-CG2 3.28Å; G181-V185 PolarHBondContact O-N 3.44Å |
| 182 | L | 93 | Very high | 88.6 | Confident | 91 Ų | 91 | 47.6 Ų | 47.6 | 48% | 0.476 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -61.5 | -43.5 | 174.9 | -73.1 | 172.9 | 0 | 0 | 0 | 112.2 | L7 F12 L178 C179 G186 | L7-L182 HydrophobicContact CD1-CD1 4.45Å; F12-L182 HydrophobicContact CE2-CB 4.17Å; L178-L182 WeakPolarHBondContact O-CB 3.45Å; L178-L182 VanDerWaalsContact O-CG 3.3Å; L178-L182 WeakPolarHBondContact O-CG 3.38Å; L178-L182 PolarHBondContact O-N 3.29Å; C179-L182 PolarHBondContact O-N 2.91Å; L182-G186 VanDerWaalsContact O-CA 3.31Å; L182-G186 WeakPolarHBondContact O-CA 3.39Å; L182-G186 PolarHBondContact O-N 2.89Å |
| 183 | A | 93.2 | Very high | 87.9 | Confident | 1 Ų | 1 | 58.1 Ų | 58.1 | 1% | 0.008 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -60.4 | -49.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112 | F12 A15 A16 C179 T180 G187 | F12-A183 HydrophobicContact CD1-CB 4.41Å; F12-A183 HydrophobicContact CD2-CB 3.69Å; F12-A183 HydrophobicContact CE1-CB 4.4Å; F12-A183 HydrophobicContact CE2-CB 3.68Å; F12-A183 HydrophobicContact CG-CB 4.05Å; F12-A183 HydrophobicContact CZ-CB 4.05Å; F12-A183 WeakPolarHBondContact O-CB 3.25Å; A15-A183 HydrophobicContact CB-CB 3.97Å; A16-A183 HydrophobicContact CB-CB 4.28Å; C179-A183 PolarHBondContact O-N 3.39Å; T180-A183 PolarHBondContact O-N 3.04Å; A183-G187 PolarHBondContact O-N 3.01Å |
| 184 | V | 93.5 | Very high | 87.2 | Confident | 5 Ų | 5 | 57.8 Ų | 57.8 | 3% | 0.03 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -73.6 | -39.7 | -174.1 | 169.7 | 0 | 0 | 0 | 0 | 112.6 | A15 S19 R24 V27 F28 T180 G181 | A15-V184 HydrophobicContact CB-CG2 4.28Å; S19-V184 PolarHBondContact OG-O 3.36Å; R24-V184 HydrophobicContact CB-CG1 3.53Å; R24-V184 HydrophobicContact CG-CG1 4.06Å; R24-V184 VanDerWaalsContact O-CG1 3.26Å; R24-V184 WeakPolarHBondContact O-CG1 3.26Å; V27-V184 HydrophobicContact CG1-CG2 4.08Å; F28-V184 HydrophobicContact CB-CG1 4.25Å; F28-V184 HydrophobicContact CB-CG2 4.27Å; T180-V184 HydrophobicContact CG2-CG2 4.16Å; T180-V184 WeakPolarHBondContact O-CB 3.45Å; T180-V184 VanDerWaalsContact O-CG2 3.28Å; T180-V184 WeakPolarHBondContact O-CG2 3.47Å; T180-V184 PolarHBondContact O-N 3.36Å; G181-V184 PolarHBondContact O-N 3.5Å |
| 185 | V | 91.3 | Very high | 86.9 | Confident | 107 Ų | 107 | 54.4 Ų | 54.4 | 65% | 0.648 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -73 | -40.4 | 176.3 | 173.1 | 0 | 0 | 0 | 0 | 110.3 | G181 | G181-V185 VanDerWaalsContact O-CB 3.3Å; G181-V185 WeakPolarHBondContact O-CB 3.46Å; G181-V185 VanDerWaalsContact O-CG2 3.27Å; G181-V185 WeakPolarHBondContact O-CG2 3.28Å; G181-V185 PolarHBondContact O-N 3.44Å |
| 186 | G | 84.4 | Confident | 86.7 | Confident | 11 Ų | 11 | 54.3 Ų | 54.3 | 11% | 0.113 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -76.3 | -29.7 | -173 | 0 | 0 | 0 | 0 | 0 | 115.1 | L182 R188 L189 V190 | L182-G186 VanDerWaalsContact O-CA 3.31Å; L182-G186 WeakPolarHBondContact O-CA 3.39Å; L182-G186 PolarHBondContact O-N 2.89Å; G186-R188 PolarHBondContact O-N 3.47Å; G186-L189 PolarHBondContact O-N 3.22Å; G186-L189 VanDerWaalsContact O-N 3.09Å; G186-V190 VanDerWaalsContact CA-CB 3.5Å; G186-V190 PolarHBondContact O-N 2.95Å; G186-V190 VanDerWaalsContact O-N 3.12Å |
| 187 | G | 79.7 | Confident | 86.5 | Confident | 10 Ų | 10 | 56.9 Ų | 56.9 | 10% | 0.103 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | 47.5 | -134.9 | -178.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | M20 A183 L189 S191 | M20-G187 VanDerWaalsContact CE-C 3.49Å; A183-G187 PolarHBondContact O-N 3.01Å; G187-L189 VanDerWaalsContact C-N 3.31Å; G187-L189 PolarHBondContact O-N 3.4Å; G187-S191 WeakPolarHBondContact O-CB 3.42Å; G187-S191 PolarHBondContact O-N 2.88Å; G187-S191 PolarHBondContact O-OG 3.31Å |
| 188 | R | 74.7 | Confident | 86.3 | Confident | 137 Ų | 137 | 59.5 Ų | 59.5 | 52% | 0.517 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -64.9 | -34.4 | 178.7 | -67 | -173.5 | 176.8 | 174.2 | -5 | 112.8 | M20 G186 S191 Q192 | M20-R188 HydrophobicContact CE-CB 4.07Å; M20-R188 HydrophobicContact CE-CG 3.26Å; M20-R188 VanDerWaalsContact CE-N 3.27Å; M20-R188 HydrophobicContact CG-CG 4.13Å; M20-R188 HydrophobicContact SD-CG 3.23Å; M20-R188 WeakPolarHBondContact SD-CG 3.33Å; M20-R188 PolarHBondContact SD-NE 3.2Å; G186-R188 PolarHBondContact O-N 3.47Å; R188-S191 PolarHBondContact O-OG 3.27Å; R188-Q192 WeakPolarHBondContact O-CB 3.44Å; R188-Q192 VanDerWaalsContact O-CG 3.24Å; R188-Q192 WeakPolarHBondContact O-CG 3.31Å; R188-Q192 PolarHBondContact O-N 3.43Å; R188-Q192 VanDerWaalsContact O-N 3.16Å |
| 189 | L | 76.9 | Confident | 86.2 | Confident | 136 Ų | 136 | 55.5 Ų | 55.5 | 71% | 0.712 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -70.1 | -42.6 | -169.5 | -67.3 | 176.6 | 0 | 0 | 0 | 111.8 | G186 G187 R193 | G186-L189 PolarHBondContact O-N 3.22Å; G186-L189 VanDerWaalsContact O-N 3.09Å; G187-L189 VanDerWaalsContact C-N 3.31Å; G187-L189 PolarHBondContact O-N 3.4Å; L189-R193 WeakPolarHBondContact O-CG 3.45Å |
| 190 | V | 74.8 | Confident | 86.2 | Confident | 49 Ų | 49 | 56 Ų | 56 | 30% | 0.297 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -81.1 | -39.1 | 179 | 176 | 0 | 0 | 0 | 0 | 110.7 | G186 Q192 R193 I194 | G186-V190 VanDerWaalsContact CA-CB 3.5Å; G186-V190 PolarHBondContact O-N 2.95Å; G186-V190 VanDerWaalsContact O-N 3.12Å; V190-Q192 PolarHBondContact O-N 2.82Å; V190-R193 PolarHBondContact O-N 3.47Å; V190-I194 HydrophobicContact CG1-CD1 3.64Å; V190-I194 HydrophobicContact CG1-CG1 4.15Å; V190-I194 WeakPolarHBondContact O-CG1 3.42Å; V190-I194 PolarHBondContact O-N 3.34Å; V190-I194 VanDerWaalsContact O-N 3.16Å |
| 191 | S | 72.9 | Confident | 86.2 | Confident | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -61.1 | -33.4 | -179.6 | 68.1 | 0 | 0 | 0 | 0 | 112.4 | A84 G187 R188 | A84-S191 WeakPolarHBondContact CB-O 3.23Å; G187-S191 WeakPolarHBondContact O-CB 3.42Å; G187-S191 PolarHBondContact O-N 2.88Å; G187-S191 PolarHBondContact O-OG 3.31Å; R188-S191 PolarHBondContact O-OG 3.27Å |
| 192 | Q | 73.1 | Confident | 86.2 | Confident | 116 Ų | 116 | 65.6 Ų | 65.6 | 54% | 0.542 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.4 | -18 | 176.2 | -70.1 | 178.5 | -20.6 | 0 | 0 | 114.5 | L88 R188 V190 | L88-Q192 HydrophobicContact CD2-CG 4.22Å; R188-Q192 WeakPolarHBondContact O-CB 3.44Å; R188-Q192 VanDerWaalsContact O-CG 3.24Å; R188-Q192 WeakPolarHBondContact O-CG 3.31Å; R188-Q192 PolarHBondContact O-N 3.43Å; R188-Q192 VanDerWaalsContact O-N 3.16Å; V190-Q192 PolarHBondContact O-N 2.82Å |
| 193 | R | 81.4 | Confident | 86.3 | Confident | 224 Ų | 224 | 61.3 Ų | 61.3 | 85% | 0.845 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.4 | -21.1 | -177.7 | -73.4 | -71.3 | -165.1 | 163 | 3.7 | 113.1 | L189 V190 S195 | L189-R193 WeakPolarHBondContact O-CG 3.45Å; V190-R193 PolarHBondContact O-N 3.47Å; R193-S195 PolarHBondContact O-N 2.72Å |
| 194 | I | 81.1 | Confident | 86.4 | Confident | 31 Ų | 31 | 61.2 Ų | 61.2 | 16% | 0.159 | 30% | 0.298 | C | S | . | . | S | Bend | trans | -76.1 | 119.5 | 176.2 | -68.6 | 170.5 | 0 | 0 | 0 | 108.3 | L7 F12 A84 V190 V196 V199 | L7-I194 HydrophobicContact CD1-CD1 3.93Å; F12-I194 HydrophobicContact CE1-CD1 4.18Å; F12-I194 HydrophobicContact CE2-CD1 4.42Å; F12-I194 HydrophobicContact CZ-CD1 3.66Å; A84-I194 WeakPolarHBondContact CB-O 3.36Å; V190-I194 HydrophobicContact CG1-CD1 3.64Å; V190-I194 HydrophobicContact CG1-CG1 4.15Å; V190-I194 WeakPolarHBondContact O-CG1 3.42Å; V190-I194 PolarHBondContact O-N 3.34Å; V190-I194 VanDerWaalsContact O-N 3.16Å; I194-V196 PolarHBondContact O-N 3.33Å; I194-V199 HydrophobicContact CG2-CG2 3.65Å |
| 195 | S | 89.6 | Confident | 86.5 | Confident | 42 Ų | 42 | 63.8 Ų | 63.8 | 29% | 0.294 | 31% | 0.313 | S | S | . | . | trans | -71.9 | 96.8 | 167.1 | 174.2 | 0 | 0 | 0 | 0 | 108.5 | R193 K197 N198 V199 | R193-S195 PolarHBondContact O-N 2.72Å; S195-K197 PolarHBondContact O-N 3.08Å; S195-N198 PolarHBondContact O-N 3.42Å; S195-N198 VanDerWaalsContact OG-CG 3.27Å; S195-N198 PolarHBondContact OG-N 3.47Å; S195-V199 WeakPolarHBondContact O-CG2 3.19Å; S195-V199 PolarHBondContact O-N 3.02Å | ||
| 196 | V | 91 | Very high | 86.7 | Confident | 3 Ų | 3 | 60.5 Ų | 60.5 | 2% | 0.018 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -53.1 | -42.1 | 176.4 | 178.1 | 0 | 0 | 0 | 0 | 109.8 | F13 M79 A83 A84 I194 N198 V199 T200 | F13-V196 HydrophobicContact CE2-CG2 3.85Å; F13-V196 HydrophobicContact CZ-CG2 3.64Å; M79-V196 HydrophobicContact CE-CB 4.35Å; M79-V196 HydrophobicContact CE-CG1 3.41Å; M79-V196 VanDerWaalsContact CE-CG1 3.41Å; M79-V196 HydrophobicContact SD-CG1 4.31Å; A83-V196 HydrophobicContact CB-CB 4.42Å; A84-V196 HydrophobicContact CB-CG2 3.62Å; I194-V196 PolarHBondContact O-N 3.33Å; V196-N198 PolarHBondContact O-N 2.79Å; V196-V199 PolarHBondContact O-N 3.44Å; V196-V199 VanDerWaalsContact O-N 3.13Å; V196-T200 WeakPolarHBondContact O-CB 3.5Å; V196-T200 PolarHBondContact O-N 3.27Å; V196-T200 PolarHBondContact O-OG1 2.88Å |
| 197 | K | 92.1 | Very high | 87.1 | Confident | 61 Ų | 61 | 60 Ų | 60 | 27% | 0.265 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -49.9 | -51.9 | 172.9 | 179.7 | 172.8 | -174.3 | 166.9 | 0 | 113.3 | A76 M79 D81 S195 T200 Y201 | A76-K197 WeakPolarHBondContact O-CE 3.45Å; A76-K197 WeakPolarHBondContact O-CG 3.45Å; M79-K197 HydrophobicContact CB-CB 4.02Å; M79-K197 HydrophobicContact CB-CD 4.34Å; M79-K197 HydrophobicContact CB-CG 4.14Å; M79-K197 PolarHBondContact O-NZ 2.97Å; D81-K197 IonicContact OD1-NZ 3.59Å; S195-K197 PolarHBondContact O-N 3.08Å; K197-T200 PolarHBondContact O-N 3.38Å; K197-Y201 WeakPolarHBondContact O-CB 3.28Å; K197-Y201 PolarHBondContact O-N 3.32Å |
| 198 | N | 92.3 | Very high | 87.9 | Confident | 95 Ų | 95 | 61 Ų | 61 | 51% | 0.508 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -66 | -39.8 | 179.9 | -70.1 | -7.6 | 0 | 0 | 0 | 111.6 | S195 V196 Y201 I202 | S195-N198 PolarHBondContact O-N 3.42Å; S195-N198 VanDerWaalsContact OG-CG 3.27Å; S195-N198 PolarHBondContact OG-N 3.47Å; V196-N198 PolarHBondContact O-N 2.79Å; N198-Y201 PolarHBondContact O-N 3.07Å; N198-I202 WeakPolarHBondContact O-CB 3.15Å; N198-I202 WeakPolarHBondContact O-CD1 3.36Å; N198-I202 VanDerWaalsContact O-CG1 3.23Å; N198-I202 WeakPolarHBondContact O-CG1 3.25Å; N198-I202 PolarHBondContact O-N 3.46Å |
| 199 | V | 92.6 | Very high | 88.8 | Confident | 18 Ų | 18 | 58 Ų | 58 | 11% | 0.109 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -65.3 | -44.7 | 178.1 | 179.1 | 0 | 0 | 0 | 0 | 111.1 | L7 I194 S195 V196 Y201 I202 G203 | L7-V199 HydrophobicContact CB-CG1 3.72Å; L7-V199 HydrophobicContact CD2-CB 4.49Å; L7-V199 HydrophobicContact CD2-CG1 3.83Å; L7-V199 HydrophobicContact CD2-CG2 3.76Å; L7-V199 HydrophobicContact CG-CG1 3.89Å; L7-V199 HydrophobicContact CG-CG2 4.19Å; L7-V199 WeakPolarHBondContact O-CG1 3.46Å; I194-V199 HydrophobicContact CG2-CG2 3.65Å; S195-V199 WeakPolarHBondContact O-CG2 3.19Å; S195-V199 PolarHBondContact O-N 3.02Å; V196-V199 PolarHBondContact O-N 3.44Å; V196-V199 VanDerWaalsContact O-N 3.13Å; V199-Y201 VanDerWaalsContact C-N 3.34Å; V199-Y201 PolarHBondContact O-N 3.49Å; V199-I202 PolarHBondContact O-N 3.49Å; V199-G203 PolarHBondContact O-N 3.08Å |
| 200 | T | 93.2 | Very high | 89.5 | Confident | 15 Ų | 15 | 55.4 Ų | 55.4 | 9% | 0.092 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -62.8 | -40.4 | 175.2 | -52.8 | 0 | 0 | 0 | 0 | 111.3 | M72 A76 M79 V196 K197 G203 G204 | M72-T200 HydrophobicContact CB-CG2 4.13Å; M72-T200 HydrophobicContact CE-CG2 4.21Å; M72-T200 HydrophobicContact CG-CG2 4.41Å; M72-T200 WeakPolarHBondContact O-CG2 3.3Å; A76-T200 HydrophobicContact CB-CG2 4.07Å; M79-T200 HydrophobicContact SD-CG2 4.37Å; V196-T200 WeakPolarHBondContact O-CB 3.5Å; V196-T200 PolarHBondContact O-N 3.27Å; V196-T200 PolarHBondContact O-OG1 2.88Å; K197-T200 PolarHBondContact O-N 3.38Å; T200-G203 PolarHBondContact O-N 3Å; T200-G204 PolarHBondContact O-N 3.36Å |
| 201 | Y | 94.9 | Very high | 90.4 | Very high | 134 Ų | 134 | 53.3 Ų | 53.3 | 53% | 0.525 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -61.5 | -51.8 | 175.2 | -178.9 | -95.3 | 0 | 0 | 0 | 111.5 | L73 A76 K197 N198 V199 G203 G204 V205 | L73-Y201 HydrophobicContact CD2-CD2 3.66Å; L73-Y201 HydrophobicContact CD2-CE2 3.69Å; L73-Y201 HydrophobicContact CD2-CG 4.36Å; A76-Y201 HydrophobicContact CB-CD2 4.49Å; K197-Y201 WeakPolarHBondContact O-CB 3.28Å; K197-Y201 PolarHBondContact O-N 3.32Å; N198-Y201 PolarHBondContact O-N 3.07Å; V199-Y201 VanDerWaalsContact C-N 3.34Å; V199-Y201 PolarHBondContact O-N 3.49Å; Y201-G203 VanDerWaalsContact C-N 3.31Å; Y201-G203 PolarHBondContact O-N 2.87Å; Y201-G204 PolarHBondContact O-N 3.37Å; Y201-G204 VanDerWaalsContact O-N 3.15Å; Y201-V205 HydrophobicContact CD1-CG2 4.32Å; Y201-V205 HydrophobicContact CE1-CG2 3.93Å; Y201-V205 WeakPolarHBondContact O-CG2 3.24Å; Y201-V205 PolarHBondContact O-N 3.26Å |
| 202 | I | 94.8 | Very high | 91.3 | Very high | 92 Ų | 92 | 57.6 Ų | 57.6 | 47% | 0.472 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -59.3 | -44.3 | 177.8 | -68.8 | 165.2 | 0 | 0 | 0 | 110.3 | V4 N198 V199 G204 V205 V206 | V4-I202 HydrophobicContact CG1-CG2 4.3Å; N198-I202 WeakPolarHBondContact O-CB 3.15Å; N198-I202 WeakPolarHBondContact O-CD1 3.36Å; N198-I202 VanDerWaalsContact O-CG1 3.23Å; N198-I202 WeakPolarHBondContact O-CG1 3.25Å; N198-I202 PolarHBondContact O-N 3.46Å; V199-I202 PolarHBondContact O-N 3.49Å; I202-G204 VanDerWaalsContact C-N 3.33Å; I202-G204 PolarHBondContact O-N 2.85Å; I202-V205 PolarHBondContact O-N 3Å; I202-V206 HydrophobicContact CG2-CG2 4.34Å; I202-V206 VanDerWaalsContact O-CG2 3.32Å; I202-V206 WeakPolarHBondContact O-CG2 3.2Å; I202-V206 PolarHBondContact O-N 3.47Å |
| 203 | G | 94 | Very high | 92.1 | Very high | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -58.8 | -45.3 | 176 | 0 | 0 | 0 | 0 | 0 | 112 | V199 T200 Y201 V205 V206 F207 | V199-G203 PolarHBondContact O-N 3.08Å; T200-G203 PolarHBondContact O-N 3Å; Y201-G203 VanDerWaalsContact C-N 3.31Å; Y201-G203 PolarHBondContact O-N 2.87Å; G203-V205 PolarHBondContact O-N 3.32Å; G203-V206 PolarHBondContact O-N 2.65Å; G203-F207 VanDerWaalsContact O-CD2 3.29Å; G203-F207 WeakPolarHBondContact O-CD2 3.46Å; G203-F207 PolarHBondContact O-N 2.89Å |
| 204 | G | 95.5 | Very high | 92.3 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -57.4 | -46.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | G69 T200 Y201 I202 V206 F207 V208 | G69-G204 WeakPolarHBondContact CA-O 3.36Å; G69-G204 WeakPolarHBondContact O-CA 3.43Å; T200-G204 PolarHBondContact O-N 3.36Å; Y201-G204 PolarHBondContact O-N 3.37Å; Y201-G204 VanDerWaalsContact O-N 3.15Å; I202-G204 VanDerWaalsContact C-N 3.33Å; I202-G204 PolarHBondContact O-N 2.85Å; G204-V206 PolarHBondContact O-N 3.31Å; G204-F207 PolarHBondContact O-N 3.39Å; G204-V208 WeakPolarHBondContact O-CG2 3.47Å; G204-V208 PolarHBondContact O-N 3.27Å |
| 205 | V | 96.2 | Very high | 92.6 | Very high | 58 Ų | 58 | 45.6 Ų | 45.6 | 35% | 0.352 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -59.9 | -46.5 | 174.5 | 175.8 | 0 | 0 | 0 | 0 | 111.2 | L73 Y201 I202 G203 F207 V208 V209 | L73-V205 HydrophobicContact CD2-CG2 3.98Å; Y201-V205 HydrophobicContact CD1-CG2 4.32Å; Y201-V205 HydrophobicContact CE1-CG2 3.93Å; Y201-V205 WeakPolarHBondContact O-CG2 3.24Å; Y201-V205 PolarHBondContact O-N 3.26Å; I202-V205 PolarHBondContact O-N 3Å; G203-V205 PolarHBondContact O-N 3.32Å; V205-F207 VanDerWaalsContact C-N 3.33Å; V205-F207 PolarHBondContact O-N 3.36Å; V205-V208 PolarHBondContact O-N 2.94Å; V205-V209 HydrophobicContact CG1-CG2 4.26Å; V205-V209 WeakPolarHBondContact O-CG2 3.47Å; V205-V209 PolarHBondContact O-N 2.95Å |
| 206 | V | 94.7 | Very high | 92.5 | Very high | 39 Ų | 39 | 49.5 Ų | 49.5 | 24% | 0.236 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -59.8 | -43.8 | 178.9 | 169.2 | 0 | 0 | 0 | 0 | 111 | M1 V4 I202 G203 G204 V209 F210 | M1-V206 HydrophobicContact CG-CG1 4.45Å; V4-V206 HydrophobicContact CG1-CG2 4.46Å; V4-V206 HydrophobicContact CG2-CB 4.19Å; V4-V206 HydrophobicContact CG2-CG1 4.03Å; I202-V206 HydrophobicContact CG2-CG2 4.34Å; I202-V206 VanDerWaalsContact O-CG2 3.32Å; I202-V206 WeakPolarHBondContact O-CG2 3.2Å; I202-V206 PolarHBondContact O-N 3.47Å; G203-V206 PolarHBondContact O-N 2.65Å; G204-V206 PolarHBondContact O-N 3.31Å; V206-V209 PolarHBondContact O-N 3.44Å; V206-F210 HydrophobicContact CG1-CD2 3.89Å; V206-F210 HydrophobicContact CG1-CE2 3.98Å; V206-F210 VanDerWaalsContact O-CD2 3.3Å; V206-F210 WeakPolarHBondContact O-CD2 3.4Å; V206-F210 PolarHBondContact O-N 3.45Å |
| 207 | F | 94.4 | Very high | 92 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -61.6 | -43.9 | 176.4 | -92.5 | -78.5 | 0 | 0 | 0 | 112.5 | M1 S5 F65 F68 G69 M72 T155 G203 G204 V205 F210 A211 | M1-F207 HydrophobicContact CE-CD1 3.62Å; M1-F207 HydrophobicContact CE-CE1 3.82Å; M1-F207 HydrophobicContact CE-CG 4.15Å; M1-F207 HydrophobicContact CE-CZ 4.49Å; S5-F207 VanDerWaalsContact OG-CE2 3.26Å; S5-F207 WeakPolarHBondContact OG-CE2 3.16Å; S5-F207 WeakPolarHBondContact OG-CZ 3.3Å; F65-F207 HydrophobicContact CB-CD1 4.18Å; F65-F207 AromaticContact CD1-CD1 3.74Å; F65-F207 HydrophobicContact CD1-CD1 3.74Å; F65-F207 AromaticContact CD1-CE1 3.75Å; F65-F207 HydrophobicContact CD1-CE1 3.75Å; F65-F207 HydrophobicContact CE1-CE1 4.19Å; F65-F207 HydrophobicContact CG-CD1 4.25Å; F65-F207 WeakPolarHBondContact O-CB 3.47Å; F68-F207 HydrophobicContact CB-CD1 3.94Å; F68-F207 HydrophobicContact CB-CE1 4.12Å; F68-F207 HydrophobicContact CB-CG 4.28Å; F68-F207 HydrophobicContact CD2-CD1 4.5Å; F68-F207 AromaticContact CD2-CE1 3.99Å; F68-F207 HydrophobicContact CD2-CE1 3.99Å; G69-F207 VanDerWaalsContact CA-CB 3.45Å; M72-F207 HydrophobicContact SD-CD2 3.62Å; M72-F207 HydrophobicContact SD-CE2 3.78Å; T155-F207 HydrophobicContact CG2-CE1 4.18Å; T155-F207 HydrophobicContact CG2-CZ 4.3Å; T155-F207 WeakPolarHBondContact OG1-CE1 3.45Å; T155-F207 WeakPolarHBondContact OG1-CZ 3.48Å; G203-F207 VanDerWaalsContact O-CD2 3.29Å; G203-F207 WeakPolarHBondContact O-CD2 3.46Å; G203-F207 PolarHBondContact O-N 2.89Å; G204-F207 PolarHBondContact O-N 3.39Å; V205-F207 VanDerWaalsContact C-N 3.33Å; V205-F207 PolarHBondContact O-N 3.36Å; F207-F210 PolarHBondContact O-N 2.86Å; F207-A211 PolarHBondContact O-N 2.9Å |
| 208 | V | 95.4 | Very high | 91.3 | Very high | 30 Ų | 30 | 53.4 Ų | 53.4 | 18% | 0.182 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -63.7 | -43.5 | 175.8 | 174.3 | 0 | 0 | 0 | 0 | 111.5 | L73 G204 V205 F210 A211 I212 | L73-V208 HydrophobicContact CD1-CG2 4.14Å; G204-V208 WeakPolarHBondContact O-CG2 3.47Å; G204-V208 PolarHBondContact O-N 3.27Å; V205-V208 PolarHBondContact O-N 2.94Å; V208-F210 VanDerWaalsContact C-N 3.32Å; V208-F210 PolarHBondContact O-N 3.49Å; V208-A211 WeakPolarHBondContact O-CB 3.41Å; V208-A211 PolarHBondContact O-N 2.93Å; V208-A211 VanDerWaalsContact O-N 3.17Å; V208-I212 HydrophobicContact CG1-CD1 3.96Å; V208-I212 WeakPolarHBondContact O-CG1 3.3Å; V208-I212 PolarHBondContact O-N 3.32Å |
| 209 | V | 94.5 | Very high | 90.2 | Very high | 74 Ų | 74 | 57.7 Ų | 57.7 | 45% | 0.448 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -60.4 | -42.8 | 176.5 | 169.5 | 0 | 0 | 0 | 0 | 110.8 | V205 V206 I212 S213 | V205-V209 HydrophobicContact CG1-CG2 4.26Å; V205-V209 WeakPolarHBondContact O-CG2 3.47Å; V205-V209 PolarHBondContact O-N 2.95Å; V206-V209 PolarHBondContact O-N 3.44Å; V209-I212 PolarHBondContact O-N 3.29Å; V209-S213 VanDerWaalsContact O-CB 3.29Å; V209-S213 WeakPolarHBondContact O-CB 3.09Å; V209-S213 PolarHBondContact O-N 3.34Å; V209-S213 PolarHBondContact O-OG 3.04Å |
| 210 | F | 91.7 | Very high | 89.1 | Confident | 83 Ų | 83 | 61.6 Ų | 61.6 | 36% | 0.364 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -66.1 | -36.1 | 175.6 | -93.8 | -103.4 | 0 | 0 | 0 | 112.8 | M1 F65 V206 F207 V208 S214 | M1-F210 HydrophobicContact CE-CB 3.26Å; M1-F210 HydrophobicContact CE-CD1 3.66Å; M1-F210 HydrophobicContact CE-CD2 3.8Å; M1-F210 HydrophobicContact CE-CE1 4.42Å; M1-F210 HydrophobicContact CE-CG 3.29Å; M1-F210 HydrophobicContact CG-CD1 4.37Å; M1-F210 HydrophobicContact CG-CD2 4.31Å; M1-F210 HydrophobicContact CG-CE1 4.24Å; M1-F210 HydrophobicContact CG-CE2 4.16Å; M1-F210 HydrophobicContact CG-CG 4.41Å; M1-F210 HydrophobicContact CG-CZ 4.13Å; M1-F210 HydrophobicContact SD-CB 4.42Å; M1-F210 HydrophobicContact SD-CD1 3.69Å; M1-F210 HydrophobicContact SD-CD2 4.41Å; M1-F210 HydrophobicContact SD-CE1 3.97Å; M1-F210 HydrophobicContact SD-CG 3.93Å; M1-F210 HydrophobicContact SD-CZ 4.44Å; F65-F210 HydrophobicContact CD2-CB 4.14Å; V206-F210 HydrophobicContact CG1-CD2 3.89Å; V206-F210 HydrophobicContact CG1-CE2 3.98Å; V206-F210 VanDerWaalsContact O-CD2 3.3Å; V206-F210 WeakPolarHBondContact O-CD2 3.4Å; V206-F210 PolarHBondContact O-N 3.45Å; F207-F210 PolarHBondContact O-N 2.86Å; V208-F210 VanDerWaalsContact C-N 3.32Å; V208-F210 PolarHBondContact O-N 3.49Å; F210-S214 WeakPolarHBondContact O-CB 3.15Å; F210-S214 PolarHBondContact O-N 2.87Å; F210-S214 PolarHBondContact O-OG 2.88Å |
| 211 | A | 92.8 | Very high | 87.9 | Confident | 5 Ų | 5 | 61.1 Ų | 61.1 | 4% | 0.041 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -60.9 | -47 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | A62 F65 F66 F207 V208 S214 L215 | A62-A211 WeakPolarHBondContact O-CB 3.39Å; F65-A211 HydrophobicContact CB-CB 3.81Å; F66-A211 HydrophobicContact CB-CB 3.9Å; F207-A211 PolarHBondContact O-N 2.9Å; V208-A211 WeakPolarHBondContact O-CB 3.41Å; V208-A211 PolarHBondContact O-N 2.93Å; V208-A211 VanDerWaalsContact O-N 3.17Å; A211-S214 WeakPolarHBondContact O-CB 3.32Å; A211-S214 PolarHBondContact O-N 2.69Å; A211-L215 PolarHBondContact O-N 2.93Å |
| 212 | I | 92.3 | Very high | 86.4 | Confident | 89 Ų | 89 | 56.5 Ų | 56.5 | 46% | 0.456 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -66.2 | -49.9 | 178.2 | -63.9 | 167.4 | 0 | 0 | 0 | 110.5 | V208 V209 S214 L215 L216 | V208-I212 HydrophobicContact CG1-CD1 3.96Å; V208-I212 WeakPolarHBondContact O-CG1 3.3Å; V208-I212 PolarHBondContact O-N 3.32Å; V209-I212 PolarHBondContact O-N 3.29Å; I212-S214 PolarHBondContact O-N 3.19Å; I212-L215 PolarHBondContact O-N 3.45Å; I212-L216 HydrophobicContact CG2-CD1 3.64Å; I212-L216 HydrophobicContact CG2-CG 4.14Å; I212-L216 WeakPolarHBondContact O-CG 3.49Å; I212-L216 PolarHBondContact O-N 3.34Å |
| 213 | S | 88.7 | Confident | 85 | Confident | 43 Ų | 43 | 53.9 Ų | 53.9 | 30% | 0.301 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -58 | -34.4 | 177.6 | -66.5 | 0 | 0 | 0 | 0 | 112.2 | V209 L215 L216 L217 | V209-S213 VanDerWaalsContact O-CB 3.29Å; V209-S213 WeakPolarHBondContact O-CB 3.09Å; V209-S213 PolarHBondContact O-N 3.34Å; V209-S213 PolarHBondContact O-OG 3.04Å; S213-L215 VanDerWaalsContact C-N 3.26Å; S213-L215 PolarHBondContact O-N 3.47Å; S213-L216 PolarHBondContact O-N 3.18Å; S213-L217 WeakPolarHBondContact O-CB 3.26Å; S213-L217 PolarHBondContact O-N 2.7Å |
| 214 | S | 86.4 | Confident | 83.5 | Confident | 11 Ų | 11 | 58.1 Ų | 58.1 | 8% | 0.077 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -63.7 | -29.8 | 176.8 | -68.4 | 0 | 0 | 0 | 0 | 113.3 | V58 R162 F210 A211 I212 D218 | V58-S214 WeakPolarHBondContact CG1-O 3.19Å; R162-S214 VanDerWaalsContact NH1-CB 3.31Å; R162-S214 PolarHBondContact NH1-OG 3.5Å; R162-S214 PolarHBondContact NH2-O 3.13Å; F210-S214 WeakPolarHBondContact O-CB 3.15Å; F210-S214 PolarHBondContact O-N 2.87Å; F210-S214 PolarHBondContact O-OG 2.88Å; A211-S214 WeakPolarHBondContact O-CB 3.32Å; A211-S214 PolarHBondContact O-N 2.69Å; I212-S214 PolarHBondContact O-N 3.19Å; S214-D218 WeakPolarHBondContact O-CB 3.25Å |
| 215 | L | 88 | Confident | 82 | Confident | 65 Ų | 65 | 62.4 Ų | 62.4 | 34% | 0.34 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -87.1 | -36.4 | 177.2 | -63 | 174.3 | 0 | 0 | 0 | 111.7 | Y59 A62 A211 I212 S213 | Y59-L215 HydrophobicContact CD1-CD2 3.93Å; Y59-L215 HydrophobicContact CE1-CD2 4.04Å; A62-L215 HydrophobicContact CB-CD1 4.2Å; A62-L215 HydrophobicContact CB-CD2 3.66Å; A62-L215 HydrophobicContact CB-CG 3.74Å; A211-L215 PolarHBondContact O-N 2.93Å; I212-L215 PolarHBondContact O-N 3.45Å; S213-L215 VanDerWaalsContact C-N 3.26Å; S213-L215 PolarHBondContact O-N 3.47Å |
| 216 | L | 86.6 | Confident | 80.6 | Confident | 124 Ų | 124 | 66.8 Ų | 66.8 | 65% | 0.649 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -79.6 | -36.9 | -175.6 | -65.2 | -179.8 | 0 | 0 | 0 | 114.2 | I212 S213 S222 | I212-L216 HydrophobicContact CG2-CD1 3.64Å; I212-L216 HydrophobicContact CG2-CG 4.14Å; I212-L216 WeakPolarHBondContact O-CG 3.49Å; I212-L216 PolarHBondContact O-N 3.34Å; S213-L216 PolarHBondContact O-N 3.18Å; L216-S222 PolarHBondContact O-OG 2.86Å |
| 217 | L | 80.7 | Confident | 79 | Confident | 140 Ų | 140 | 71 Ų | 71 | 73% | 0.733 | 39% | 0.388 | S | S | * | . | S | Bend | trans | -88.5 | -11.9 | -175.5 | -65 | 175 | 0 | 0 | 0 | 112.9 | S213 K219 | S213-L217 WeakPolarHBondContact O-CB 3.26Å; S213-L217 PolarHBondContact O-N 2.7Å; L217-K219 PolarHBondContact O-N 3.07Å |
| 218 | D | 78.2 | Confident | 77 | Confident | 6 Ų | 6 | 81.5 Ų | 81.5 | 3% | 0.032 | 44% | 0.436 | C | S | . | . | trans | -79.9 | 111.6 | -176.9 | -157.3 | -60.6 | 0 | 0 | 0 | 110.9 | R54 V58 R162 S214 E220 V221 S222 | R54-D218 IonicContact CZ-OD1 3.59Å; R54-D218 IonicContact CZ-OD2 3.17Å; R54-D218 IonicContact NH1-OD1 2.69Å; R54-D218 PolarHBondContact NH1-OD1 3.47Å; R54-D218 IonicContact NH1-OD2 3.04Å; R54-D218 PolarHBondContact NH1-OD2 3.17Å; R54-D218 IonicContact NH2-OD1 3.65Å; R54-D218 IonicContact NH2-OD2 2.7Å; R54-D218 PolarHBondContact NH2-OD2 3.36Å; V58-D218 HydrophobicContact CG1-CB 4.05Å; V58-D218 WeakPolarHBondContact CG2-OD2 3.36Å; R162-D218 IonicContact NH2-OD2 2.97Å; S214-D218 WeakPolarHBondContact O-CB 3.25Å; D218-E220 VanDerWaalsContact C-N 3.28Å; D218-E220 PolarHBondContact O-N 3.19Å; D218-E220 PolarHBondContact OD1-N 3.33Å; D218-V221 HydrophobicContact CB-CB 4.19Å; D218-V221 HydrophobicContact CB-CG2 4.01Å; D218-V221 PolarHBondContact O-N 3.48Å; D218-S222 WeakPolarHBondContact O-CB 3.29Å; D218-S222 PolarHBondContact O-N 2.99Å; D218-S222 PolarHBondContact O-OG 3.23Å | ||
| 219 | K | 69.3 | Low | 76.1 | Confident | 186 Ų | 186 | 84.1 Ų | 84.1 | 81% | 0.809 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -63.3 | -31.9 | -174.9 | -67.6 | -176 | 179.6 | 177 | 0 | 113 | L217 G223 | L217-K219 PolarHBondContact O-N 3.07Å; K219-G223 PolarHBondContact O-N 3.01Å |
| 220 | E | 69.4 | Low | 75.1 | Confident | 100 Ų | 100 | 84.6 Ų | 84.6 | 47% | 0.467 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -72 | -40.6 | 178.6 | -70.3 | -177.6 | 134.6 | 0 | 0 | 111.2 | R54 D218 G223 L224 | R54-E220 VanDerWaalsContact CB-OE2 3.32Å; R54-E220 WeakPolarHBondContact CB-OE2 3.48Å; R54-E220 WeakPolarHBondContact CD-OE2 3.38Å; R54-E220 VanDerWaalsContact CG-OE2 3.25Å; R54-E220 WeakPolarHBondContact CG-OE2 3.48Å; R54-E220 IonicContact CZ-OE2 3.81Å; R54-E220 IonicContact NE-OE2 3.93Å; R54-E220 IonicContact NH1-OE2 2.86Å; R54-E220 PolarHBondContact NH1-OE2 3.19Å; D218-E220 VanDerWaalsContact C-N 3.28Å; D218-E220 PolarHBondContact O-N 3.19Å; D218-E220 PolarHBondContact OD1-N 3.33Å; E220-G223 PolarHBondContact O-N 3.41Å; E220-L224 PolarHBondContact O-N 3.43Å |
| 221 | V | 67.4 | Low | 74.2 | Confident | 5 Ų | 5 | 84.7 Ų | 84.7 | 3% | 0.03 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -66.3 | -46.3 | 174.5 | 178.8 | 0 | 0 | 0 | 0 | 110.2 | I55 V58 D218 G223 L224 V225 | I55-V221 HydrophobicContact CD1-CG2 3.73Å; V58-V221 HydrophobicContact CB-CG2 4.38Å; V58-V221 HydrophobicContact CG1-CG2 3.75Å; D218-V221 HydrophobicContact CB-CB 4.19Å; D218-V221 HydrophobicContact CB-CG2 4.01Å; D218-V221 PolarHBondContact O-N 3.48Å; V221-G223 VanDerWaalsContact C-N 3.25Å; V221-G223 PolarHBondContact O-N 3.01Å; V221-L224 PolarHBondContact O-N 3.26Å; V221-L224 VanDerWaalsContact O-N 3.09Å; V221-V225 HydrophobicContact CG1-CG2 4.34Å; V221-V225 WeakPolarHBondContact O-CG2 3.08Å; V221-V225 PolarHBondContact O-N 3.3Å |
| 222 | S | 63.9 | Low | 73.1 | Confident | 37 Ų | 37 | 89.4 Ų | 89.4 | 26% | 0.259 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -60.6 | -36.3 | 178 | -57.9 | 0 | 0 | 0 | 0 | 112 | L216 D218 L224 V225 L226 | L216-S222 PolarHBondContact O-OG 2.86Å; D218-S222 WeakPolarHBondContact O-CB 3.29Å; D218-S222 PolarHBondContact O-N 2.99Å; D218-S222 PolarHBondContact O-OG 3.23Å; S222-L224 VanDerWaalsContact C-N 3.34Å; S222-L224 PolarHBondContact O-N 3.45Å; S222-V225 PolarHBondContact O-N 2.98Å; S222-L226 WeakPolarHBondContact O-CB 3.38Å; S222-L226 VanDerWaalsContact O-CG 3.3Å; S222-L226 WeakPolarHBondContact O-CG 3.38Å; S222-L226 PolarHBondContact O-N 3.05Å |
| 223 | G | 64 | Low | 71.9 | Confident | 37 Ų | 37 | 89.4 Ų | 89.4 | 38% | 0.381 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -64.6 | -33.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | K219 E220 V221 V227 | K219-G223 PolarHBondContact O-N 3.01Å; E220-G223 PolarHBondContact O-N 3.41Å; V221-G223 VanDerWaalsContact C-N 3.25Å; V221-G223 PolarHBondContact O-N 3.01Å; G223-V227 WeakPolarHBondContact O-CB 3.2Å; G223-V227 WeakPolarHBondContact O-CG2 3.35Å; G223-V227 PolarHBondContact O-N 2.92Å |
| 224 | L | 64.2 | Low | 70.7 | Confident | 89 Ų | 89 | 92.5 Ų | 92.5 | 47% | 0.466 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -75.5 | -41.8 | 174.2 | -72.5 | 168.9 | 0 | 0 | 0 | 112 | I55 E220 V221 S222 L226 V227 Q228 | I55-L224 HydrophobicContact CD1-CD1 3.95Å; I55-L224 HydrophobicContact CG1-CD1 4.37Å; E220-L224 PolarHBondContact O-N 3.43Å; V221-L224 PolarHBondContact O-N 3.26Å; V221-L224 VanDerWaalsContact O-N 3.09Å; S222-L224 VanDerWaalsContact C-N 3.34Å; S222-L224 PolarHBondContact O-N 3.45Å; L224-L226 VanDerWaalsContact C-N 3.29Å; L224-L226 PolarHBondContact O-N 3.28Å; L224-V227 PolarHBondContact O-N 3.03Å; L224-Q228 PolarHBondContact O-N 3.09Å |
| 225 | V | 62.5 | Low | 69.6 | Low | 90 Ų | 90 | 98.3 Ų | 98.3 | 55% | 0.545 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -65.1 | -32.8 | 179.5 | 174.6 | 0 | 0 | 0 | 0 | 111.9 | V221 S222 | V221-V225 HydrophobicContact CG1-CG2 4.34Å; V221-V225 WeakPolarHBondContact O-CG2 3.08Å; V221-V225 PolarHBondContact O-N 3.3Å; S222-V225 PolarHBondContact O-N 2.98Å |
| 226 | L | 66.6 | Low | 68.2 | Low | 149 Ų | 149 | 100.8 Ų | 100.8 | 78% | 0.78 | 54% | 0.535 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.3 | -11.3 | 177.8 | -68.6 | 175.1 | 0 | 0 | 0 | 114.1 | S222 L224 | S222-L226 WeakPolarHBondContact O-CB 3.38Å; S222-L226 VanDerWaalsContact O-CG 3.3Å; S222-L226 WeakPolarHBondContact O-CG 3.38Å; S222-L226 PolarHBondContact O-N 3.05Å; L224-L226 VanDerWaalsContact C-N 3.29Å; L224-L226 PolarHBondContact O-N 3.28Å |
| 227 | V | 62.3 | Low | 66.7 | Low | 128 Ų | 128 | 98.9 Ų | 98.9 | 78% | 0.776 | 53% | 0.526 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.6 | -8.4 | 179.9 | 172.7 | 0 | 0 | 0 | 0 | 112 | G223 L224 | G223-V227 WeakPolarHBondContact O-CB 3.2Å; G223-V227 WeakPolarHBondContact O-CG2 3.35Å; G223-V227 PolarHBondContact O-N 2.92Å; L224-V227 PolarHBondContact O-N 3.03Å |
| 228 | Q | 51.8 | Low | 65.4 | Low | 220 Ų | 220 | 95.2 Ų | 95.2 | 100% | 1.028 | 51% | 0.507 | S | S | * | . | trans | -101 | 0 | 170.5 | -65.7 | -170.9 | -72.1 | 0 | 0 | 111.4 | L224 | L224-Q228 PolarHBondContact O-N 3.09Š|
Retrieved 228 of 228 residues in 168.8 ms
(Link to these results)